A0A3B3VU18_9TELE Loading...

Multifunctional fusion protein

AlphaFold DB , UniProt , Accession A0A3B3VU18, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 556 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.3	Very low	32	Very low	239 Å²	239	169 Å²	169	100%	1.177	84%	0.841	S	S	*	*				0	78.8	0	-142.3	-172.7	-126.4	0	0	109.1
2	L	31.5	Very low	32.4	Very low	164 Å²	164	176.9 Å²	176.9	86%	0.859	85%	0.854	S	S	*	*			trans	-104.2	112.5	169	-107.7	90.8	0	0	0	107.5	V4	L2-V4 PolarHBondContact O-N 2.95Å
3	R	32.9	Very low	32.6	Very low	239 Å²	239	180.9 Å²	180.9	90%	0.902	86%	0.855	S	S	*	*			trans	-76.5	111.7	177.6	-82.4	-179.2	171.6	-176.4	-2.4	109.5	R5	R3-R5 PolarHBondContact O-N 2.72Å
4	V	34.5	Very low	33	Very low	113 Å²	113	172.9 Å²	172.9	69%	0.685	85%	0.845	S	S	*	*			trans	-66.6	109.7	160	179.6	0	0	0	0	107.3	L2 V6	L2-V4 PolarHBondContact O-N 2.95Å; V4-V6 HydrophobicContact CG1-CG2 4.26Å; V4-V6 PolarHBondContact O-N 3.1Å
5	R	30.8	Very low	33.3	Very low	243 Å²	243	172.5 Å²	172.5	92%	0.917	84%	0.837	S	S	*	*			trans	-73.9	102.4	169.1	-106.9	-177.2	171.2	-176.1	-1.4	108	R3	R3-R5 PolarHBondContact O-N 2.72Å
6	V	34.6	Very low	33.5	Very low	108 Å²	108	175.4 Å²	175.4	66%	0.655	84%	0.837	S	S	*	*			trans	-77.6	116.8	172	177.1	0	0	0	0	108.8	V4 L8	V4-V6 HydrophobicContact CG1-CG2 4.26Å; V4-V6 PolarHBondContact O-N 3.1Å; V6-L8 HydrophobicContact CG1-CG 4.33Å
7	L	29.9	Very low	33.9	Very low	175 Å²	175	171.1 Å²	171.1	92%	0.916	82%	0.824	S	S	*	*			trans	-83	106.9	157.3	-89.6	157.8	0	0	0	107.2	G9	L7-G9 PolarHBondContact O-N 3.02Å
8	L	32.1	Very low	34.4	Very low	165 Å²	165	170.4 Å²	170.4	86%	0.864	82%	0.817	S	S	*	*			trans	-64.1	109.1	173	-87.4	149.7	0	0	0	109.5	V6	V6-L8 HydrophobicContact CG1-CG 4.33Å
9	G	28.3	Very low	35	Very low	64 Å²	64	167.8 Å²	167.8	66%	0.66	82%	0.815	S	S	*	*			trans	-134.8	91	167.7	0	0	0	0	0	109.8	L7 S11	L7-G9 PolarHBondContact O-N 3.02Å; G9-S11 PolarHBondContact O-N 3.47Å
10	R	32.5	Very low	35.8	Very low	256 Å²	256	162.2 Å²	162.2	97%	0.966	80%	0.802	S	S	*	*			trans	-67.2	113.4	164.7	-89.2	-178.6	168.2	-177.5	-3.2	108
11	S	31	Very low	36.8	Very low	93 Å²	93	161.4 Å²	161.4	65%	0.65	80%	0.801	S	S	*	*			trans	-139.3	116	165.1	172	0	0	0	0	109.5	G9 R13	G9-S11 PolarHBondContact O-N 3.47Å; S11-R13 VanDerWaalsContact C-N 3.28Å; S11-R13 PolarHBondContact OG-N 2.82Å; S11-R13 PolarHBondContact OG-O 2.63Å
12	W	37.1	Very low	38.4	Very low	264 Å²	264	153.9 Å²	153.9	100%	1	78%	0.776	S	S	*	*			trans	-92.8	28.7	174.5	-119.1	54.4	0	0	0	111.9
13	R	34.7	Very low	40.9	Very low	229 Å²	229	147.6 Å²	147.6	86%	0.864	75%	0.745	S	S	*	*	S	Bend	trans	-144.6	119.2	178	-69.6	-170.7	177.9	-154.7	-0.9	111.9	S11	S11-R13 VanDerWaalsContact C-N 3.28Å; S11-R13 PolarHBondContact OG-N 2.82Å; S11-R13 PolarHBondContact OG-O 2.63Å
14	G	38.4	Very low	43.8	Very low	69 Å²	69	144 Å²	144	71%	0.711	74%	0.738	S	S	*	*			trans	107.7	131.9	161.5	0	0	0	0	0	115.6	R16	G14-R16 PolarHBondContact O-N 2.91Å
15	F	37.3	Very low	46.7	Very low	167 Å²	167	140 Å²	140	73%	0.732	71%	0.714	S	S	*	*			trans	-68	66	168.8	-66.4	-85	0	0	0	111.1
16	R	37.3	Very low	49.9	Very low	219 Å²	219	136.6 Å²	136.6	83%	0.826	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-96.4	117.9	170.9	-78.2	-172.8	174.6	-175.5	-1.1	109.6	G14	G14-R16 PolarHBondContact O-N 2.91Å
17	T	39.7	Very low	52.9	Low	101 Å²	101	133.6 Å²	133.6	62%	0.62	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-74	125.3	166.7	45.5	0	0	0	0	108.7	T187	T17-T187 HydrophobicContact CG2-CG2 4.48Å
18	F	43.9	Very low	56.2	Low	160 Å²	160	126.2 Å²	126.2	70%	0.702	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-85	140.6	172.7	-73.4	-88.7	0	0	0	109.5	G20	F18-G20 PolarHBondContact O-N 3.14Å
19	P	45	Very low	59.3	Low	121 Å²	121	122.4 Å²	122.4	79%	0.786	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-57.6	127.2	173.1	5.2	-2.1	0	0	0	109.5	L21	P19-L21 PolarHBondContact O-N 3.2Å
20	G	51.8	Low	62.7	Low	54 Å²	54	123.7 Å²	123.7	56%	0.557	62%	0.623	S	S	*	*	P	Polyproline II helix	trans	-72.3	119	-179.5	0	0	0	0	0	111.5	F18 A22	F18-G20 PolarHBondContact O-N 3.14Å; G20-A22 PolarHBondContact O-N 3.05Å
21	L	56.1	Low	65.8	Low	147 Å²	147	114.3 Å²	114.3	77%	0.77	59%	0.592	S	S	*	*	P	Polyproline II helix	trans	-61	130.9	157.9	-82.4	152.7	0	0	0	107.6	P19 V23	P19-L21 PolarHBondContact O-N 3.2Å; L21-V23 PolarHBondContact O-N 2.87Å
22	A	67.7	Low	68.9	Low	80 Å²	80	112.6 Å²	112.6	66%	0.661	59%	0.589	S	S	*	*	P	Polyproline II helix	trans	-57.5	125.1	174.3	0	0	0	0	0	109.3	G20 E24	G20-A22 PolarHBondContact O-N 3.05Å; A22-E24 PolarHBondContact O-N 3.08Å
23	V	84.1	Confident	71.8	Confident	33 Å²	33	100.7 Å²	100.7	20%	0.2	54%	0.544	C	S	.	.			trans	-85.6	107.3	175.5	-179	0	0	0	0	107.7	L21 V25 F122 K168 V171	L21-V23 PolarHBondContact O-N 2.87Å; V23-V25 HydrophobicContact CG1-CG1 4.09Å; V23-F122 HydrophobicContact CG1-CE1 4.32Å; V23-F122 HydrophobicContact CG1-CE2 4.21Å; V23-F122 HydrophobicContact CG1-CZ 3.6Å; V23-K168 HydrophobicContact CB-CB 4.45Å; V23-K168 HydrophobicContact CB-CG 4.32Å; V23-K168 HydrophobicContact CG1-CB 4.18Å; V23-K168 WeakPolarHBondContact O-CD 3.5Å; V23-K168 PolarHBondContact O-NZ 3.42Å; V23-V171 HydrophobicContact CG2-CB 4.28Å; V23-V171 HydrophobicContact CG2-CG1 3.82Å
24	E	92.2	Very high	74.8	Confident	162 Å²	162	96.8 Å²	96.8	76%	0.757	54%	0.536	S	S	*	.			trans	-87.5	126.2	176.1	-68.6	-173.2	-179.5	0	0	110.7	A22	A22-E24 PolarHBondContact O-N 3.08Å
25	V	96.3	Very high	77.5	Confident	30 Å²	30	97.8 Å²	97.8	18%	0.182	54%	0.537	C	S	.	.			trans	-135.2	153.7	173.3	-53.4	0	0	0	0	108.7	V23 F122 R164 F165 K168	V23-V25 HydrophobicContact CG1-CG1 4.09Å; V25-F122 HydrophobicContact CG1-CE1 3.87Å; V25-F122 HydrophobicContact CG1-CZ 4.5Å; V25-R164 HydrophobicContact CB-CB 4.19Å; V25-R164 HydrophobicContact CG1-CB 4.16Å; V25-F165 HydrophobicContact CG2-CD1 3.57Å; V25-F165 HydrophobicContact CG2-CD2 4.1Å; V25-F165 HydrophobicContact CG2-CE1 3.51Å; V25-F165 HydrophobicContact CG2-CE2 4.04Å; V25-F165 HydrophobicContact CG2-CG 3.89Å; V25-F165 HydrophobicContact CG2-CZ 3.77Å; V25-K168 HydrophobicContact CG1-CB 4.23Å; V25-K168 HydrophobicContact CG1-CD 4.43Å; V25-K168 HydrophobicContact CG2-CB 4.3Å; V25-K168 HydrophobicContact CG2-CD 3.53Å
26	K	97.1	Very high	80.4	Confident	172 Å²	172	93.8 Å²	93.8	75%	0.748	54%	0.543	S	S	*	.			trans	-129.2	154.3	175	-65.7	-178.5	180	-179	0	108.5
27	N	98.7	Very high	83.3	Confident	45 Å²	45	84.1 Å²	84.1	24%	0.241	51%	0.509	C	S	.	.	P	Polyproline II helix	trans	-57.2	138.6	169	-65.8	106.2	0	0	0	110.1	D161 I507 V508 Q510	N27-D161 VanDerWaalsContact CA-OD1 3.31Å; N27-D161 WeakPolarHBondContact CA-OD1 3.28Å; N27-D161 WeakPolarHBondContact CB-OD2 3.37Å; N27-D161 PolarHBondContact ND2-OD2 3.26Å; N27-I507 HydrophobicContact CB-CG2 4.48Å; N27-I507 WeakPolarHBondContact ND2-CG2 3.46Å; N27-V508 PolarHBondContact ND2-O 3.2Å; N27-Q510 PolarHBondContact OD1-NE2 3.09Å
28	E	98.6	Very high	86.1	Confident	19 Å²	19	83.7 Å²	83.7	9%	0.089	51%	0.508	C	S	.	.	P	Polyproline II helix	trans	-62.6	132.8	175.4	-177.2	67.8	-179.7	0	0	110.2	I30 S129 R133 A157 I160 D161 R164	E28-I30 PolarHBondContact O-N 2.76Å; E28-S129 WeakPolarHBondContact OE1-CB 3.38Å; E28-S129 PolarHBondContact OE1-OG 2.81Å; E28-S129 PolarHBondContact OE2-OG 2.86Å; E28-R133 IonicContact OE1-CZ 3.64Å; E28-R133 IonicContact OE1-NH1 2.74Å; E28-R133 PolarHBondContact OE1-NH1 3.14Å; E28-R133 IonicContact OE1-NH2 2.62Å; E28-A157 HydrophobicContact CB-CB 4.3Å; E28-A157 HydrophobicContact CG-CB 4.48Å; E28-I160 HydrophobicContact CB-CB 4.22Å; E28-I160 HydrophobicContact CB-CG2 3.81Å; E28-I160 HydrophobicContact CG-CB 4.38Å; E28-I160 HydrophobicContact CG-CD1 3.76Å; E28-I160 HydrophobicContact CG-CG2 4.07Å; E28-D161 PolarHBondContact N-OD1 3.37Å; E28-R164 IonicContact OE2-CZ 3.51Å; E28-R164 IonicContact OE2-NH1 2.75Å; E28-R164 PolarHBondContact OE2-NH1 2.94Å; E28-R164 IonicContact OE2-NH2 3.3Å
29	P	98.3	Very high	88.7	Confident	85 Å²	85	78 Å²	78	55%	0.552	48%	0.484	S	S	*	.	P	Polyproline II helix	trans	-61.6	137.4	172.9	-22.5	34	0	0	0	111.7	R133	P29-R133 PolarHBondContact O-NH2 3.25Å; P29-R133 VanDerWaalsContact O-NH2 3.16Å
30	I	98.3	Very high	91.2	Very high	91 Å²	91	75.5 Å²	75.5	47%	0.467	46%	0.459	S	S	.	.	P	Polyproline II helix	trans	-80.9	123.9	168.6	-53.5	-50.3	0	0	0	108.3	E28 E152 I153 A157	E28-I30 PolarHBondContact O-N 2.76Å; I30-E152 HydrophobicContact CG2-CG 3.86Å; I30-I153 HydrophobicContact CD1-CG2 4.04Å; I30-I153 HydrophobicContact CG1-CG2 4.42Å; I30-I153 HydrophobicContact CG2-CG2 4.14Å; I30-A157 HydrophobicContact CD1-CB 3.17Å
31	L	98.3	Very high	93.4	Very high	59 Å²	59	75.7 Å²	75.7	31%	0.309	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-82.7	148.9	177.8	-52.6	-177.7	0	0	0	111.4	F33 E39 E152	L31-F33 HydrophobicContact CB-CD2 4.18Å; L31-F33 HydrophobicContact CB-CE2 3.77Å; L31-F33 HydrophobicContact CB-CZ 4.31Å; L31-F33 WeakPolarHBondContact O-CD2 3.3Å; L31-E39 HydrophobicContact CB-CG 3.97Å; L31-E39 HydrophobicContact CD1-CB 3.78Å; L31-E39 HydrophobicContact CD1-CG 3.95Å; L31-E152 PolarHBondContact N-OE1 3.25Å
32	G	96.3	Very high	95.5	Very high	58 Å²	58	74 Å²	74	60%	0.598	44%	0.443	S	S	*	.			trans	-83.5	-27.4	-173.6	0	0	0	0	0	115.1	E34	G32-E34 PolarHBondContact O-N 3.15Å
33	F	97.9	Very high	96.9	Very high	13 Å²	13	70.1 Å²	70.1	6%	0.057	41%	0.412	C	S	.	.			trans	53.4	38.7	-175.6	-61.5	-92.7	0	0	0	113.3	L31 E39 R40 L43 L137 V148 E152	L31-F33 HydrophobicContact CB-CD2 4.18Å; L31-F33 HydrophobicContact CB-CE2 3.77Å; L31-F33 HydrophobicContact CB-CZ 4.31Å; L31-F33 WeakPolarHBondContact O-CD2 3.3Å; F33-E39 HydrophobicContact CD1-CB 4.22Å; F33-E39 HydrophobicContact CD1-CG 3.62Å; F33-E39 HydrophobicContact CD2-CG 4.34Å; F33-E39 HydrophobicContact CE1-CB 3.89Å; F33-E39 HydrophobicContact CE1-CG 3.71Å; F33-E39 WeakPolarHBondContact CE1-O 2.9Å; F33-E39 HydrophobicContact CE2-CG 4.42Å; F33-E39 HydrophobicContact CG-CG 3.95Å; F33-E39 HydrophobicContact CZ-CB 4.36Å; F33-E39 HydrophobicContact CZ-CG 4.11Å; F33-E39 PolarHBondContact N-OE1 2.83Å; F33-E39 VanDerWaalsContact N-OE1 3.08Å; F33-R40 HydrophobicContact CB-CB 4.42Å; F33-R40 HydrophobicContact CD1-CB 4.43Å; F33-R40 WeakPolarHBondContact O-CD 3.2Å; F33-R40 PolarHBondContact O-NH1 3.34Å; F33-L43 HydrophobicContact CD1-CB 4.41Å; F33-L43 HydrophobicContact CD1-CD2 3.86Å; F33-L43 HydrophobicContact CE1-CB 4.07Å; F33-L43 HydrophobicContact CE1-CD2 3.71Å; F33-L137 HydrophobicContact CE1-CD2 4.08Å; F33-L137 HydrophobicContact CE2-CD2 4.24Å; F33-L137 HydrophobicContact CZ-CD2 3.44Å; F33-L137 VanDerWaalsContact CZ-CD2 3.44Å; F33-V148 HydrophobicContact CB-CG1 3.78Å; F33-V148 HydrophobicContact CD1-CG1 3.73Å; F33-V148 HydrophobicContact CD2-CG1 3.51Å; F33-V148 HydrophobicContact CE1-CG1 4.2Å; F33-V148 HydrophobicContact CE2-CG1 3.98Å; F33-V148 HydrophobicContact CG-CG1 3.37Å; F33-V148 HydrophobicContact CZ-CG1 4.31Å; F33-E152 HydrophobicContact CE2-CB 3.87Å; F33-E152 HydrophobicContact CE2-CG 3.76Å
34	E	97.2	Very high	97.6	Very high	147 Å²	147	72.2 Å²	72.2	69%	0.687	42%	0.419	S	S	*	.			trans	-64.4	157.8	177.5	-63.7	-176	176.5	0	0	111.5	G32 G36 S37 R40	G32-E34 PolarHBondContact O-N 3.15Å; E34-G36 PolarHBondContact O-N 3.28Å; E34-S37 PolarHBondContact N-OG 3.11Å; E34-S37 WeakPolarHBondContact O-CB 3.48Å; E34-S37 PolarHBondContact O-N 2.69Å; E34-S37 VanDerWaalsContact O-N 3.08Å; E34-S37 PolarHBondContact O-OG 3.12Å; E34-S37 VanDerWaalsContact O-OG 3.09Å; E34-R40 WeakPolarHBondContact O-CD 3.1Å
35	A	96.2	Very high	97.9	Very high	90 Å²	90	72.3 Å²	72.3	74%	0.744	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	125	176.7	0	0	0	0	0	110.4
36	G	96.9	Very high	98	Very high	83 Å²	83	72 Å²	72	86%	0.856	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.3	-1.7	-178.1	0	0	0	0	0	115.5	E34	E34-G36 PolarHBondContact O-N 3.28Å
37	S	98.4	Very high	98.1	Very high	17 Å²	17	63.9 Å²	63.9	12%	0.119	38%	0.382	C	S	.	.			trans	-73.7	149.3	177.8	76.9	0	0	0	0	112.6	E34 E39 R40 A41	E34-S37 PolarHBondContact N-OG 3.11Å; E34-S37 WeakPolarHBondContact O-CB 3.48Å; E34-S37 PolarHBondContact O-N 2.69Å; E34-S37 VanDerWaalsContact O-N 3.08Å; E34-S37 PolarHBondContact O-OG 3.12Å; E34-S37 VanDerWaalsContact O-OG 3.09Å; S37-E39 VanDerWaalsContact CB-CD 3.47Å; S37-E39 WeakPolarHBondContact CB-OE1 3.45Å; S37-E39 WeakPolarHBondContact CB-OE2 3.38Å; S37-E39 PolarHBondContact O-N 3.37Å; S37-E39 PolarHBondContact OG-OE1 2.78Å; S37-E39 PolarHBondContact OG-OE2 3.04Å; S37-R40 PolarHBondContact O-N 3.25Å; S37-R40 WeakPolarHBondContact OG-CB 3.44Å; S37-R40 PolarHBondContact OG-N 2.92Å; S37-A41 PolarHBondContact O-N 3.04Å
38	P	98.3	Very high	98	Very high	92 Å²	92	66.1 Å²	66.1	60%	0.597	39%	0.394	S	S	*	.	H	α-helix	trans	-58.1	-44.3	179.5	-25.1	34.9	0	0	0	113.1	R40 A41 E42	P38-R40 VanDerWaalsContact C-N 3.25Å; P38-R40 PolarHBondContact O-N 2.79Å; P38-A41 PolarHBondContact O-N 3.28Å; P38-A41 VanDerWaalsContact O-N 3.14Å; P38-E42 WeakPolarHBondContact O-CG 3.36Å; P38-E42 PolarHBondContact O-N 3.14Å
39	E	98.3	Very high	97.9	Very high	41 Å²	41	66.3 Å²	66.3	19%	0.192	40%	0.401	C	S	.	.	H	α-helix	trans	-64.7	-31.2	-178.7	70.2	-79.2	178.4	0	0	112.3	L31 F33 S37 L43	L31-E39 HydrophobicContact CB-CG 3.97Å; L31-E39 HydrophobicContact CD1-CB 3.78Å; L31-E39 HydrophobicContact CD1-CG 3.95Å; F33-E39 HydrophobicContact CD1-CB 4.22Å; F33-E39 HydrophobicContact CD1-CG 3.62Å; F33-E39 HydrophobicContact CD2-CG 4.34Å; F33-E39 HydrophobicContact CE1-CB 3.89Å; F33-E39 HydrophobicContact CE1-CG 3.71Å; F33-E39 WeakPolarHBondContact CE1-O 2.9Å; F33-E39 HydrophobicContact CE2-CG 4.42Å; F33-E39 HydrophobicContact CG-CG 3.95Å; F33-E39 HydrophobicContact CZ-CB 4.36Å; F33-E39 HydrophobicContact CZ-CG 4.11Å; F33-E39 PolarHBondContact N-OE1 2.83Å; F33-E39 VanDerWaalsContact N-OE1 3.08Å; S37-E39 VanDerWaalsContact CB-CD 3.47Å; S37-E39 WeakPolarHBondContact CB-OE1 3.45Å; S37-E39 WeakPolarHBondContact CB-OE2 3.38Å; S37-E39 PolarHBondContact O-N 3.37Å; S37-E39 PolarHBondContact OG-OE1 2.78Å; S37-E39 PolarHBondContact OG-OE2 3.04Å; E39-L43 VanDerWaalsContact O-CB 3.27Å; E39-L43 WeakPolarHBondContact O-CB 3.37Å; E39-L43 PolarHBondContact O-N 3.36Å
40	R	98.6	Very high	97.7	Very high	68 Å²	68	64.2 Å²	64.2	26%	0.257	39%	0.385	S	S	.	.	H	α-helix	trans	-68.4	-43.6	173.7	179.4	175.1	-171.4	134.9	-4.3	111.6	F33 E34 S37 P38 L43 Q44 F377	F33-R40 HydrophobicContact CB-CB 4.42Å; F33-R40 HydrophobicContact CD1-CB 4.43Å; F33-R40 WeakPolarHBondContact O-CD 3.2Å; F33-R40 PolarHBondContact O-NH1 3.34Å; E34-R40 WeakPolarHBondContact O-CD 3.1Å; S37-R40 PolarHBondContact O-N 3.25Å; S37-R40 WeakPolarHBondContact OG-CB 3.44Å; S37-R40 PolarHBondContact OG-N 2.92Å; P38-R40 VanDerWaalsContact C-N 3.25Å; P38-R40 PolarHBondContact O-N 2.79Å; R40-L43 PolarHBondContact O-N 2.87Å; R40-Q44 VanDerWaalsContact NE-NE2 3.14Å; R40-Q44 WeakPolarHBondContact O-CG 3.46Å; R40-Q44 PolarHBondContact O-N 3.22Å; R40-F377 HydrophobicContact CG-CE2 4.21Å
41	A	98.4	Very high	97.3	Very high	58 Å²	58	63.2 Å²	63.2	48%	0.479	38%	0.377	S	S	.	.	H	α-helix	trans	-65.5	-41.8	177.6	0	0	0	0	0	111.9	S37 P38 Q44 K45	S37-A41 PolarHBondContact O-N 3.04Å; P38-A41 PolarHBondContact O-N 3.28Å; P38-A41 VanDerWaalsContact O-N 3.14Å; A41-Q44 PolarHBondContact O-N 3.25Å; A41-K45 WeakPolarHBondContact O-CB 3.41Å; A41-K45 PolarHBondContact O-N 2.96Å
42	E	98.6	Very high	96.9	Very high	110 Å²	110	63.9 Å²	63.9	51%	0.514	40%	0.399	S	S	.	.	H	α-helix	trans	-63.8	-43.3	176	-71.6	179.6	176	0	0	112.1	P38 K45 A46 A134	P38-E42 WeakPolarHBondContact O-CG 3.36Å; P38-E42 PolarHBondContact O-N 3.14Å; E42-K45 PolarHBondContact O-N 2.85Å; E42-A46 PolarHBondContact O-N 2.8Å; E42-A134 HydrophobicContact CB-CB 4.01Å
43	L	98.8	Very high	96.9	Very high	0 Å²	0	68.7 Å²	68.7	0%	0	40%	0.399	C	S	.	.	H	α-helix	trans	-63.4	-45.1	176.5	179.5	59.5	0	0	0	111.9	F33 E39 R40 K45 A46 L47 L137 A138 M141 V148 F377	F33-L43 HydrophobicContact CD1-CB 4.41Å; F33-L43 HydrophobicContact CD1-CD2 3.86Å; F33-L43 HydrophobicContact CE1-CB 4.07Å; F33-L43 HydrophobicContact CE1-CD2 3.71Å; E39-L43 VanDerWaalsContact O-CB 3.27Å; E39-L43 WeakPolarHBondContact O-CB 3.37Å; E39-L43 PolarHBondContact O-N 3.36Å; R40-L43 PolarHBondContact O-N 2.87Å; L43-K45 VanDerWaalsContact C-N 3.33Å; L43-K45 PolarHBondContact O-N 3.03Å; L43-A46 PolarHBondContact O-N 3.34Å; L43-A46 VanDerWaalsContact O-N 3.14Å; L43-L47 HydrophobicContact CD1-CD1 4.24Å; L43-L47 HydrophobicContact CD1-CG 4.21Å; L43-L47 HydrophobicContact CG-CD1 3.94Å; L43-L47 HydrophobicContact CG-CG 4.38Å; L43-L47 WeakPolarHBondContact O-CB 3.13Å; L43-L47 VanDerWaalsContact O-CG 3.3Å; L43-L47 WeakPolarHBondContact O-CG 3.5Å; L43-L47 PolarHBondContact O-N 3.26Å; L43-L137 HydrophobicContact CD1-CB 3.73Å; L43-A138 HydrophobicContact CD1-CB 4.12Å; L43-M141 HydrophobicContact CD1-SD 4.07Å; L43-M141 HydrophobicContact CD2-SD 3.92Å; L43-M141 HydrophobicContact CG-SD 4.38Å; L43-V148 HydrophobicContact CD2-CB 4.34Å; L43-V148 HydrophobicContact CD2-CG1 3.71Å; L43-V148 HydrophobicContact CD2-CG2 3.91Å; L43-F377 HydrophobicContact CD2-CE2 4.43Å; L43-F377 HydrophobicContact CD2-CZ 4.21Å; L43-F377 HydrophobicContact CG-CZ 4.5Å
44	Q	98.6	Very high	97	Very high	76 Å²	76	71.4 Å²	71.4	36%	0.355	42%	0.416	S	S	.	.	H	α-helix	trans	-60	-44.4	176.5	-77.4	163.3	21.6	0	0	111.6	R40 A41 A46 L47 D48 F377	R40-Q44 VanDerWaalsContact NE-NE2 3.14Å; R40-Q44 WeakPolarHBondContact O-CG 3.46Å; R40-Q44 PolarHBondContact O-N 3.22Å; A41-Q44 PolarHBondContact O-N 3.25Å; Q44-A46 VanDerWaalsContact C-N 3.3Å; Q44-A46 PolarHBondContact O-N 3.13Å; Q44-L47 PolarHBondContact O-N 2.63Å; Q44-D48 WeakPolarHBondContact O-CB 3.38Å; Q44-D48 PolarHBondContact O-N 3.47Å; Q44-F377 HydrophobicContact CG-CE2 4.29Å; Q44-F377 HydrophobicContact CG-CZ 4.04Å
45	K	98.4	Very high	97	Very high	165 Å²	165	66.8 Å²	66.8	72%	0.717	40%	0.395	S	S	*	.	H	α-helix	trans	-58.8	-41.5	174.2	-178.1	-178.8	177.5	-177.5	0	112.3	A41 E42 L43 G49	A41-K45 WeakPolarHBondContact O-CB 3.41Å; A41-K45 PolarHBondContact O-N 2.96Å; E42-K45 PolarHBondContact O-N 2.85Å; L43-K45 VanDerWaalsContact C-N 3.33Å; L43-K45 PolarHBondContact O-N 3.03Å; K45-G49 PolarHBondContact O-N 3.44Å
46	A	98.5	Very high	97.1	Very high	22 Å²	22	68 Å²	68	18%	0.182	39%	0.385	C	S	.	.	H	α-helix	trans	-66.5	-42.8	177	0	0	0	0	0	112	E42 L43 Q44 G49 L50 A134 A138	E42-A46 PolarHBondContact O-N 2.8Å; L43-A46 PolarHBondContact O-N 3.34Å; L43-A46 VanDerWaalsContact O-N 3.14Å; Q44-A46 VanDerWaalsContact C-N 3.3Å; Q44-A46 PolarHBondContact O-N 3.13Å; A46-G49 PolarHBondContact O-N 3.47Å; A46-L50 WeakPolarHBondContact O-CG 3.47Å; A46-L50 PolarHBondContact O-N 3Å; A46-A134 HydrophobicContact CB-CB 4.04Å; A46-A134 WeakPolarHBondContact CB-O 3.17Å; A46-A138 HydrophobicContact CB-CB 3.71Å
47	L	98.4	Very high	97.2	Very high	2 Å²	2	64 Å²	64	1%	0.01	34%	0.344	C	S	.	.	H	α-helix	trans	-61.4	-49.1	175.9	-72.2	167.4	0	0	0	111.5	L43 Q44 G49 L50 K51 A138 M141 I142 V374 F377	L43-L47 HydrophobicContact CD1-CD1 4.24Å; L43-L47 HydrophobicContact CD1-CG 4.21Å; L43-L47 HydrophobicContact CG-CD1 3.94Å; L43-L47 HydrophobicContact CG-CG 4.38Å; L43-L47 WeakPolarHBondContact O-CB 3.13Å; L43-L47 VanDerWaalsContact O-CG 3.3Å; L43-L47 WeakPolarHBondContact O-CG 3.5Å; L43-L47 PolarHBondContact O-N 3.26Å; Q44-L47 PolarHBondContact O-N 2.63Å; L47-G49 PolarHBondContact O-N 2.98Å; L47-L50 PolarHBondContact O-N 3.2Å; L47-K51 WeakPolarHBondContact O-CG 3.33Å; L47-K51 PolarHBondContact O-N 3.11Å; L47-A138 HydrophobicContact CD2-CB 3.75Å; L47-A138 HydrophobicContact CG-CB 3.98Å; L47-M141 HydrophobicContact CD1-CE 4.05Å; L47-M141 HydrophobicContact CD1-SD 4.28Å; L47-M141 HydrophobicContact CD2-CB 4.22Å; L47-M141 HydrophobicContact CD2-CE 4.4Å; L47-M141 HydrophobicContact CD2-SD 4.28Å; L47-I142 HydrophobicContact CD2-CD1 3.77Å; L47-I142 HydrophobicContact CD2-CG1 3.88Å; L47-V374 HydrophobicContact CB-CG1 3.96Å; L47-V374 HydrophobicContact CD1-CG1 4.14Å; L47-V374 HydrophobicContact CD2-CB 4.39Å; L47-V374 HydrophobicContact CD2-CG1 3.89Å; L47-V374 HydrophobicContact CD2-CG2 3.79Å; L47-V374 HydrophobicContact CG-CG1 4.21Å; L47-F377 HydrophobicContact CD1-CE1 3.88Å; L47-F377 HydrophobicContact CD1-CZ 3.8Å
48	D	96.9	Very high	97.2	Very high	92 Å²	92	63.5 Å²	63.5	49%	0.492	34%	0.34	S	S	.	.	H	α-helix	trans	-60.3	-34.3	176.2	-70.5	-25.1	0	0	0	111.9	Q44 L50 K51	Q44-D48 WeakPolarHBondContact O-CB 3.38Å; Q44-D48 PolarHBondContact O-N 3.47Å; D48-L50 PolarHBondContact O-N 2.86Å; D48-K51 VanDerWaalsContact OD1-CE 3.3Å; D48-K51 WeakPolarHBondContact OD1-CE 3.35Å; D48-K51 IonicContact OD1-NZ 3.49Å; D48-K51 PolarHBondContact OD1-NZ 3.39Å
49	G	95.7	Very high	97.2	Very high	24 Å²	24	59.1 Å²	59.1	25%	0.247	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-13.6	173.3	0	0	0	0	0	114.8	K45 A46 L47 R53	K45-G49 PolarHBondContact O-N 3.44Å; A46-G49 PolarHBondContact O-N 3.47Å; L47-G49 PolarHBondContact O-N 2.98Å; G49-R53 WeakPolarHBondContact O-CD 3.49Å; G49-R53 PolarHBondContact O-NE 3.47Å; G49-R53 PolarHBondContact O-NH1 3.26Å
50	L	95.2	Very high	97.3	Very high	41 Å²	41	57.3 Å²	57.3	22%	0.215	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.5	-17.3	-179.1	-66.4	175.4	0	0	0	113.3	A46 L47 D48 G52 R53 A138 K139 I142	A46-L50 WeakPolarHBondContact O-CG 3.47Å; A46-L50 PolarHBondContact O-N 3Å; L47-L50 PolarHBondContact O-N 3.2Å; D48-L50 PolarHBondContact O-N 2.86Å; L50-G52 PolarHBondContact O-N 2.88Å; L50-R53 PolarHBondContact O-N 3.45Å; L50-R53 VanDerWaalsContact O-N 3.12Å; L50-A138 HydrophobicContact CD1-CB 3.78Å; L50-K139 HydrophobicContact CD1-CG 3.69Å; L50-I142 HydrophobicContact CB-CD1 3.47Å; L50-I142 VanDerWaalsContact CB-CD1 3.47Å; L50-I142 HydrophobicContact CD1-CD1 4.08Å; L50-I142 HydrophobicContact CG-CD1 4.42Å
51	K	89.6	Confident	97.3	Very high	69 Å²	69	54.4 Å²	54.4	30%	0.3	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	126	177.4	-75.8	178.8	-170.7	179	0	111.2	L47 D48 R53 E375	L47-K51 WeakPolarHBondContact O-CG 3.33Å; L47-K51 PolarHBondContact O-N 3.11Å; D48-K51 VanDerWaalsContact OD1-CE 3.3Å; D48-K51 WeakPolarHBondContact OD1-CE 3.35Å; D48-K51 IonicContact OD1-NZ 3.49Å; D48-K51 PolarHBondContact OD1-NZ 3.39Å; K51-R53 PolarHBondContact O-N 2.94Å; K51-R53 VanDerWaalsContact O-N 3.15Å; K51-E375 WeakPolarHBondContact CD-OE1 3.3Å; K51-E375 WeakPolarHBondContact CE-OE1 3.2Å; K51-E375 IonicContact NZ-OE1 3.94Å; K51-E375 PolarHBondContact NZ-OE1 3.38Å; K51-E375 IonicContact NZ-OE2 2.92Å; K51-E375 PolarHBondContact NZ-OE2 3.47Å; K51-E375 VanDerWaalsContact NZ-OE2 3.1Å
52	G	90	Very high	97.3	Very high	73 Å²	73	51.8 Å²	51.8	75%	0.753	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.3	8.2	178.3	0	0	0	0	0	115.5	L50	L50-G52 PolarHBondContact O-N 2.88Å
53	R	96.5	Very high	97.3	Very high	160 Å²	160	52 Å²	52	60%	0.604	28%	0.277	S	S	*	.			trans	-100.7	147.4	178.1	-58.8	-168.4	-172.9	168.9	-8.3	111.4	G49 L50 K51 H82	G49-R53 WeakPolarHBondContact O-CD 3.49Å; G49-R53 PolarHBondContact O-NE 3.47Å; G49-R53 PolarHBondContact O-NH1 3.26Å; L50-R53 PolarHBondContact O-N 3.45Å; L50-R53 VanDerWaalsContact O-N 3.12Å; K51-R53 PolarHBondContact O-N 2.94Å; K51-R53 VanDerWaalsContact O-N 3.15Å; R53-H82 PolarHBondContact O-NE2 3.31Å
54	T	98.6	Very high	97.2	Very high	69 Å²	69	56.5 Å²	56.5	42%	0.423	30%	0.298	S	S	.	.			trans	-113.9	115.8	171.5	-55.3	0	0	0	0	108.8	K83 V84 K86	T54-K83 WeakPolarHBondContact CA-O 3.27Å; T54-K83 VanDerWaalsContact CB-O 3.26Å; T54-K83 WeakPolarHBondContact CB-O 3.38Å; T54-K83 HydrophobicContact CG2-CB 4.25Å; T54-K83 WeakPolarHBondContact CG2-O 3.48Å; T54-K83 PolarHBondContact OG1-O 3.37Å; T54-V84 WeakPolarHBondContact CA-O 3.38Å; T54-K86 HydrophobicContact CG2-CB 3.92Å
55	E	97.9	Very high	97.3	Very high	50 Å²	50	57.3 Å²	57.3	23%	0.234	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	140	174.3	-177.8	175.4	-149.3	0	0	111	V57 V84 A85 K86 K139 S233	E55-V57 HydrophobicContact CB-CG2 4.47Å; E55-V57 HydrophobicContact CG-CG2 3.87Å; E55-V84 PolarHBondContact N-O 2.75Å; E55-A85 HydrophobicContact CB-CB 4.45Å; E55-A85 CarbonylContact O-C 3.57Å; E55-A85 VanDerWaalsContact O-CA 3.22Å; E55-A85 WeakPolarHBondContact O-CA 3.49Å; E55-K86 PolarHBondContact O-N 3.23Å; E55-K139 IonicContact OE1-NZ 2.76Å; E55-K139 PolarHBondContact OE1-NZ 2.83Å; E55-K139 IonicContact OE2-NZ 2.72Å; E55-K139 PolarHBondContact OE2-NZ 3.33Å; E55-S233 PolarHBondContact OE2-OG 3.17Å
56	E	98.6	Very high	97.3	Very high	116 Å²	116	50.5 Å²	50.5	54%	0.542	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	116.6	169.6	-65.7	-161.8	148.5	0	0	110.3	W67 K86	E56-W67 HydrophobicContact CB-CH2 4.17Å; E56-W67 HydrophobicContact CB-CZ2 3.89Å; E56-K86 VanDerWaalsContact OE1-CE 3.23Å; E56-K86 WeakPolarHBondContact OE1-CE 3.3Å; E56-K86 IonicContact OE1-NZ 3.1Å; E56-K86 PolarHBondContact OE1-NZ 2.92Å
57	V	98.8	Very high	97.3	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	99.2	-177.7	-179	0	0	0	0	109.6	E55 A85 K86 F87 V232 Y236 F254	E55-V57 HydrophobicContact CB-CG2 4.47Å; E55-V57 HydrophobicContact CG-CG2 3.87Å; V57-A85 HydrophobicContact CG2-CB 3.99Å; V57-K86 PolarHBondContact N-O 2.88Å; V57-F87 HydrophobicContact CB-CB 4.08Å; V57-F87 VanDerWaalsContact O-CA 3.24Å; V57-F87 WeakPolarHBondContact O-CA 3.44Å; V57-F87 WeakPolarHBondContact O-CB 3.4Å; V57-V232 HydrophobicContact CG1-CG2 3.93Å; V57-Y236 HydrophobicContact CB-CD1 4.44Å; V57-Y236 HydrophobicContact CB-CG 4.47Å; V57-Y236 HydrophobicContact CG1-CD1 4.04Å; V57-Y236 HydrophobicContact CG1-CD2 3.89Å; V57-Y236 HydrophobicContact CG1-CG 3.61Å; V57-Y236 HydrophobicContact CG2-CD1 3.98Å; V57-Y236 HydrophobicContact CG2-CG 4.27Å; V57-F254 HydrophobicContact CG1-CE1 3.65Å; V57-F254 HydrophobicContact CG1-CZ 4.4Å
58	P	98.8	Very high	97.3	Very high	5 Å²	5	55.1 Å²	55.1	3%	0.032	29%	0.292	C	S	.	.			trans	-77.7	165.6	179.5	33.9	-36.3	0	0	0	111.5	V60 L65 W67	P58-V60 HydrophobicContact CG-CG2 4.36Å; P58-L65 HydrophobicContact CB-CB 4.05Å; P58-L65 HydrophobicContact CG-CB 3.93Å; P58-L65 HydrophobicContact CG-CD1 4.39Å; P58-L65 HydrophobicContact CG-CD2 3.82Å; P58-L65 HydrophobicContact CG-CG 4.25Å; P58-W67 HydrophobicContact CB-CZ2 4.13Å
59	C	98.9	Very high	97.3	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	147.2	154.7	-69.9	0	0	0	0	109	V66 L94 F254 L255	C59-V66 HydrophobicContact CB-CB 4.27Å; C59-V66 PolarHBondContact N-O 2.65Å; C59-V66 PolarHBondContact O-N 3.26Å; C59-L94 HydrophobicContact CB-CD2 3.84Å; C59-F254 CarbonylContact C-O 3.58Å; C59-F254 WeakPolarHBondContact CA-O 3.27Å; C59-L255 HydrophobicContact CB-CD2 4.29Å
60	V	98.9	Very high	97.4	Very high	3 Å²	3	62.8 Å²	62.8	2%	0.018	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	115.8	176.5	-169.5	0	0	0	0	110.2	P58 E64 L65 Y236 Y239 Q253 F254	P58-V60 HydrophobicContact CG-CG2 4.36Å; V60-E64 WeakPolarHBondContact CA-O 3.5Å; V60-L65 HydrophobicContact CG1-CD2 4.29Å; V60-L65 HydrophobicContact CG2-CD2 3.82Å; V60-Y236 HydrophobicContact CG2-CE2 4.01Å; V60-Y239 HydrophobicContact CB-CE1 3.85Å; V60-Y239 HydrophobicContact CG1-CE1 3.9Å; V60-Y239 VanDerWaalsContact CG1-OH 3.24Å; V60-Y239 WeakPolarHBondContact CG1-OH 3.18Å; V60-Y239 HydrophobicContact CG2-CE1 3.83Å; V60-Q253 WeakPolarHBondContact O-CA 3.46Å; V60-Q253 PolarHBondContact O-OE1 3.32Å; V60-F254 HydrophobicContact CB-CB 4.08Å; V60-F254 HydrophobicContact CG2-CB 4.26Å; V60-F254 PolarHBondContact N-O 3.19Å; V60-F254 PolarHBondContact O-N 3.26Å
61	V	98.8	Very high	97.6	Very high	7 Å²	7	63.5 Å²	63.5	4%	0.042	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	106.3	174.4	-178.1	0	0	0	0	108.8	D63 E64 L94 A98 A101 Q253 L255	V61-D63 PolarHBondContact O-N 3.27Å; V61-E64 PolarHBondContact N-O 3.4Å; V61-E64 WeakPolarHBondContact O-CB 3.06Å; V61-E64 PolarHBondContact O-N 3.33Å; V61-L94 HydrophobicContact CG2-CD1 3.72Å; V61-L94 HydrophobicContact CG2-CG 4.35Å; V61-A98 HydrophobicContact CG1-CB 4.14Å; V61-A98 HydrophobicContact CG2-CB 3.85Å; V61-A101 HydrophobicContact CG1-CB 4.21Å; V61-Q253 VanDerWaalsContact CA-OE1 3.3Å; V61-L255 HydrophobicContact CG2-CD2 3.91Å
62	G	98.2	Very high	98	Very high	3 Å²	3	64.3 Å²	64.3	3%	0.031	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	67	-114	-170.1	0	0	0	0	0	111	R243 N250	G62-R243 PolarHBondContact O-NH1 2.51Å; G62-N250 WeakPolarHBondContact CA-OD1 3.15Å; G62-N250 PolarHBondContact N-OD1 3Å; G62-N250 VanDerWaalsContact N-OD1 3.14Å
63	D	98.4	Very high	98.4	Very high	116 Å²	116	65.8 Å²	65.8	62%	0.62	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.1	-3.9	171.8	-69.1	-49.4	0	0	0	112.8	V61 R243 P249	V61-D63 PolarHBondContact O-N 3.27Å; D63-R243 IonicContact OD1-CZ 3.12Å; D63-R243 IonicContact OD1-NH1 3.3Å; D63-R243 IonicContact OD1-NH2 3.51Å; D63-R243 PolarHBondContact OD1-NH2 2.84Å; D63-P249 WeakPolarHBondContact OD2-CB 3.34Å
64	E	98.5	Very high	98.5	Very high	93 Å²	93	58.2 Å²	58.2	44%	0.435	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	124.2	-177.1	-165.1	-174.5	157.4	0	0	110.3	V60 V61 V66 K97	V60-E64 WeakPolarHBondContact CA-O 3.5Å; V61-E64 PolarHBondContact N-O 3.4Å; V61-E64 WeakPolarHBondContact O-CB 3.06Å; V61-E64 PolarHBondContact O-N 3.33Å; E64-V66 HydrophobicContact CB-CG2 4.18Å; E64-V66 HydrophobicContact CG-CG2 3.73Å; E64-K97 IonicContact OE1-NZ 2.66Å; E64-K97 PolarHBondContact OE1-NZ 3.38Å; E64-K97 IonicContact OE2-NZ 3.65Å; E64-K97 PolarHBondContact OE2-NZ 2.92Å
65	L	98.7	Very high	98.6	Very high	94 Å²	94	57.7 Å²	57.7	49%	0.492	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	113	169.3	-53.1	-177.1	0	0	0	108.1	P58 V60	P58-L65 HydrophobicContact CB-CB 4.05Å; P58-L65 HydrophobicContact CG-CB 3.93Å; P58-L65 HydrophobicContact CG-CD1 4.39Å; P58-L65 HydrophobicContact CG-CD2 3.82Å; P58-L65 HydrophobicContact CG-CG 4.25Å; V60-L65 HydrophobicContact CG1-CD2 4.29Å; V60-L65 HydrophobicContact CG2-CD2 3.82Å
66	V	98.7	Very high	98.6	Very high	21 Å²	21	55.3 Å²	55.3	13%	0.127	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	134.1	-171.9	-172.2	0	0	0	0	110.5	C59 E64 L94	C59-V66 HydrophobicContact CB-CB 4.27Å; C59-V66 PolarHBondContact N-O 2.65Å; C59-V66 PolarHBondContact O-N 3.26Å; E64-V66 HydrophobicContact CB-CG2 4.18Å; E64-V66 HydrophobicContact CG-CG2 3.73Å; V66-L94 HydrophobicContact CB-CD1 4.29Å; V66-L94 HydrophobicContact CB-CD2 4.07Å; V66-L94 HydrophobicContact CG1-CD1 3.9Å; V66-L94 HydrophobicContact CG1-CD2 3.68Å; V66-L94 HydrophobicContact CG1-CG 4.46Å; V66-L94 HydrophobicContact CG2-CD1 4.19Å
67	W	98.7	Very high	98.6	Very high	100 Å²	100	49.8 Å²	49.8	38%	0.379	24%	0.236	S	C	.	.			trans	-115.7	130.7	172.3	-72.9	93.1	0	0	0	110.5	E56 P58 K86 C88	E56-W67 HydrophobicContact CB-CH2 4.17Å; E56-W67 HydrophobicContact CB-CZ2 3.89Å; P58-W67 HydrophobicContact CB-CZ2 4.13Å; W67-K86 WeakPolarHBondContact CH2-O 3.34Å; W67-K86 HydrophobicContact CZ3-CG 4.41Å; W67-C88 HydrophobicContact CE3-CB 3.94Å; W67-C88 HydrophobicContact CZ3-CB 4.32Å
68	T	98.4	Very high	98.6	Very high	22 Å²	22	50.5 Å²	50.5	14%	0.135	24%	0.239	C	C	.	.			trans	-100.6	171.6	168.6	76	0	0	0	0	110	D70 C88 Y89 L94	T68-D70 PolarHBondContact O-N 3.29Å; T68-D70 PolarHBondContact OG1-N 3.04Å; T68-C88 PolarHBondContact N-SG 3.08Å; T68-C88 VanDerWaalsContact N-SG 3.36Å; T68-C88 WeakPolarHBondContact OG1-CB 3.49Å; T68-Y89 WeakPolarHBondContact CB-O 3.42Å; T68-Y89 WeakPolarHBondContact CG2-O 3.38Å; T68-Y89 PolarHBondContact OG1-O 3.44Å; T68-L94 HydrophobicContact CG2-CD2 4.04Å
69	K	97.6	Very high	98.6	Very high	212 Å²	212	53.1 Å²	53.1	92%	0.922	25%	0.253	S	S	*	.	S	Bend	trans	-71.3	-17.2	175.4	-64	179.4	-178.1	175.8	0	112.7	V71	K69-V71 VanDerWaalsContact C-N 3.3Å; K69-V71 PolarHBondContact O-N 3.18Å
70	D	98.1	Very high	98.5	Very high	65 Å²	65	55.4 Å²	55.4	35%	0.348	26%	0.264	S	S	.	.			trans	-86.7	70.5	-173.4	-161.2	17.8	0	0	0	111.7	T68 R72 C88 Y89	T68-D70 PolarHBondContact O-N 3.29Å; T68-D70 PolarHBondContact OG1-N 3.04Å; D70-R72 IonicContact OD1-CZ 3.86Å; D70-R72 IonicContact OD1-NH1 3.46Å; D70-R72 PolarHBondContact OD1-NH1 3.39Å; D70-R72 IonicContact OD1-NH2 3.77Å; D70-R72 PolarHBondContact OD1-NH2 3.49Å; D70-R72 IonicContact OD2-CZ 3.75Å; D70-R72 IonicContact OD2-NH2 3.75Å; D70-R72 PolarHBondContact OD2-NH2 2.9Å; D70-C88 VanDerWaalsContact O-CA 3.29Å; D70-C88 WeakPolarHBondContact O-CA 3.31Å; D70-Y89 PolarHBondContact O-N 2.87Å; D70-Y89 WeakPolarHBondContact OD2-CD2 3.17Å
71	V	98.6	Very high	98.5	Very high	56 Å²	56	59.6 Å²	59.6	34%	0.339	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	139.6	-177.3	178.9	0	0	0	0	111	K69 Y73 K86 F87	K69-V71 VanDerWaalsContact C-N 3.3Å; K69-V71 PolarHBondContact O-N 3.18Å; V71-Y73 HydrophobicContact CG1-CE2 4.06Å; V71-K86 HydrophobicContact CG1-CD 4.1Å; V71-K86 HydrophobicContact CG1-CG 3.72Å; V71-F87 CarbonylContact C-O 3.49Å; V71-F87 WeakPolarHBondContact CA-O 3.36Å
72	R	98.7	Very high	98.4	Very high	86 Å²	86	60.5 Å²	60.5	33%	0.325	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	164.8	178.7	-65.8	-67.4	-179.3	-91.7	-7.8	110.3	D70 K86 F87 Y89	D70-R72 IonicContact OD1-CZ 3.86Å; D70-R72 IonicContact OD1-NH1 3.46Å; D70-R72 PolarHBondContact OD1-NH1 3.39Å; D70-R72 IonicContact OD1-NH2 3.77Å; D70-R72 PolarHBondContact OD1-NH2 3.49Å; D70-R72 IonicContact OD2-CZ 3.75Å; D70-R72 IonicContact OD2-NH2 3.75Å; D70-R72 PolarHBondContact OD2-NH2 2.9Å; R72-K86 WeakPolarHBondContact O-CA 3.4Å; R72-F87 HydrophobicContact CB-CD1 3.94Å; R72-F87 HydrophobicContact CB-CD2 3.96Å; R72-F87 HydrophobicContact CB-CE1 3.51Å; R72-F87 HydrophobicContact CB-CE2 3.54Å; R72-F87 HydrophobicContact CB-CG 4.16Å; R72-F87 HydrophobicContact CB-CZ 3.29Å; R72-F87 HydrophobicContact CG-CE2 4.08Å; R72-F87 HydrophobicContact CG-CZ 4.1Å; R72-F87 PolarHBondContact N-O 2.96Å; R72-F87 PolarHBondContact O-N 2.89Å; R72-F87 VanDerWaalsContact O-O 3.14Å; R72-Y89 HydrophobicContact CG-CD1 4.11Å; R72-Y89 HydrophobicContact CG-CD2 4.09Å; R72-Y89 HydrophobicContact CG-CE1 3.98Å; R72-Y89 HydrophobicContact CG-CE2 3.95Å; R72-Y89 HydrophobicContact CG-CG 4.16Å
73	Y	98.8	Very high	98.5	Very high	104 Å²	104	64.8 Å²	64.8	41%	0.408	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	137.5	177.8	-64.7	-85.4	0	0	0	110.7	V71 K83 A85 K86	V71-Y73 HydrophobicContact CG1-CE2 4.06Å; Y73-K83 HydrophobicContact CD1-CB 4.02Å; Y73-K83 HydrophobicContact CD1-CD 3.68Å; Y73-K83 HydrophobicContact CD1-CG 4.04Å; Y73-K83 HydrophobicContact CE1-CD 3.88Å; Y73-K83 HydrophobicContact CG-CD 4.07Å; Y73-K83 HydrophobicContact CG-CG 4.31Å; Y73-A85 CarbonylContact C-O 3.56Å; Y73-A85 VanDerWaalsContact CA-O 3.22Å; Y73-A85 WeakPolarHBondContact CA-O 3.16Å; Y73-K86 HydrophobicContact CD1-CB 3.92Å; Y73-K86 HydrophobicContact CD1-CG 4.18Å; Y73-K86 HydrophobicContact CE1-CB 3.66Å; Y73-K86 HydrophobicContact CE1-CD 4Å; Y73-K86 HydrophobicContact CE1-CG 3.6Å
74	Q	98.8	Very high	98.5	Very high	1 Å²	1	59.8 Å²	59.8	1%	0.005	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	126.7	161.1	-179.4	-179.2	10	0	0	107.6	K83 V84 A85 G143 T230 V232 S233	Q74-K83 CarbonylContact O-C 3.53Å; Q74-V84 PolarHBondContact O-N 3.49Å; Q74-A85 HydrophobicContact CB-CB 4.08Å; Q74-A85 PolarHBondContact N-O 3.19Å; Q74-A85 PolarHBondContact O-N 2.88Å; Q74-G143 VanDerWaalsContact NE2-C 3.33Å; Q74-G143 VanDerWaalsContact NE2-CA 3.29Å; Q74-G143 PolarHBondContact NE2-O 3.1Å; Q74-T230 VanDerWaalsContact NE2-C 3.29Å; Q74-T230 PolarHBondContact NE2-O 2.63Å; Q74-V232 HydrophobicContact CB-CG1 3.97Å; Q74-S233 VanDerWaalsContact OE1-CB 3.27Å
75	L	98.8	Very high	98.5	Very high	58 Å²	58	55.3 Å²	55.3	30%	0.304	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	153.3	176	-51.6	-177.7	0	0	0	109.8	H80 H82 K83	L75-H80 HydrophobicContact CB-CB 4.38Å; L75-H80 HydrophobicContact CD1-CB 4.21Å; L75-H82 WeakPolarHBondContact CA-O 3.46Å; L75-K83 HydrophobicContact CD2-CG 3.81Å
76	S	98.8	Very high	98.5	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	125.3	167.9	-177.8	0	0	0	0	109.1	F78 N79 H80 H82 I142	S76-F78 VanDerWaalsContact C-N 3.28Å; S76-F78 PolarHBondContact O-N 3.35Å; S76-F78 VanDerWaalsContact OG-CE1 3.28Å; S76-F78 WeakPolarHBondContact OG-CE1 3.48Å; S76-F78 WeakPolarHBondContact OG-CE2 3.36Å; S76-F78 WeakPolarHBondContact OG-CZ 3.26Å; S76-N79 CarbonylContact O-C 3.57Å; S76-N79 PolarHBondContact O-N 2.84Å; S76-H80 WeakPolarHBondContact O-CA 3.31Å; S76-H80 PolarHBondContact O-N 3.27Å; S76-H80 VanDerWaalsContact O-N 3.1Å; S76-H82 PolarHBondContact N-O 3.32Å; S76-I142 WeakPolarHBondContact CA-O 3.26Å; S76-I142 WeakPolarHBondContact CB-O 3.18Å; S76-I142 PolarHBondContact OG-O 2.89Å
77	P	98.8	Very high	98.5	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-32.5	-172.6	-28.2	37.7	0	0	0	114.7	I142 A383 V384 I385 G419 Y420	P77-I142 WeakPolarHBondContact CD-O 3.33Å; P77-A383 HydrophobicContact CB-CB 4.18Å; P77-A383 WeakPolarHBondContact O-CB 3.49Å; P77-V384 WeakPolarHBondContact CB-O 3.47Å; P77-I385 HydrophobicContact CG-CD1 3.92Å; P77-G419 CarbonylContact O-C 3.59Å; P77-G419 WeakPolarHBondContact O-CA 2.97Å; P77-Y420 WeakPolarHBondContact O-CD2 3.33Å; P77-Y420 PolarHBondContact O-N 3.18Å
78	F	98.6	Very high	98.5	Very high	14 Å²	14	47.9 Å²	47.9	6%	0.061	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-8.3	-178.3	53.6	-93.7	0	0	0	113.6	S76 M141 D372 P373 V374 S382 A383 F421	S76-F78 VanDerWaalsContact C-N 3.28Å; S76-F78 PolarHBondContact O-N 3.35Å; S76-F78 VanDerWaalsContact OG-CE1 3.28Å; S76-F78 WeakPolarHBondContact OG-CE1 3.48Å; S76-F78 WeakPolarHBondContact OG-CE2 3.36Å; S76-F78 WeakPolarHBondContact OG-CZ 3.26Å; F78-M141 WeakPolarHBondContact CE1-O 3.38Å; F78-D372 HydrophobicContact CD2-CB 4.27Å; F78-D372 WeakPolarHBondContact CD2-OD2 3.28Å; F78-D372 WeakPolarHBondContact CE2-OD2 3.37Å; F78-P373 HydrophobicContact CD1-CG 3.92Å; F78-P373 HydrophobicContact CE1-CG 3.77Å; F78-P373 HydrophobicContact CZ-CG 4.22Å; F78-V374 HydrophobicContact CE1-CG2 4.48Å; F78-V374 HydrophobicContact CE2-CG2 4.22Å; F78-V374 HydrophobicContact CZ-CB 4.47Å; F78-V374 HydrophobicContact CZ-CG2 3.64Å; F78-S382 VanDerWaalsContact CB-OG 3.31Å; F78-S382 WeakPolarHBondContact CB-OG 3.44Å; F78-A383 HydrophobicContact CB-CB 4.01Å; F78-F421 HydrophobicContact CB-CE1 4.08Å; F78-F421 HydrophobicContact CB-CZ 3.69Å
79	N	98.3	Very high	98.5	Very high	60 Å²	60	48 Å²	48	32%	0.321	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	78.2	172.1	179.3	9.8	0	0	0	108.8	S76 S81 H82 K418	S76-N79 CarbonylContact O-C 3.57Å; S76-N79 PolarHBondContact O-N 2.84Å; N79-S81 PolarHBondContact O-N 3.5Å; N79-S81 PolarHBondContact OD1-OG 3.04Å; N79-H82 WeakPolarHBondContact O-CB 3.31Å; N79-H82 PolarHBondContact O-N 3.1Å; N79-K418 CarbonylContact C-O 3.58Å; N79-K418 VanDerWaalsContact CA-O 3.31Å; N79-K418 WeakPolarHBondContact CA-O 3.21Å
80	H	97.8	Very high	98.6	Very high	48 Å²	48	38 Å²	38	22%	0.222	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	-9.4	-170	55	51.4	0	0	0	113.8	L75 S76 H82 D416 K418 Y420	L75-H80 HydrophobicContact CB-CB 4.38Å; L75-H80 HydrophobicContact CD1-CB 4.21Å; S76-H80 WeakPolarHBondContact O-CA 3.31Å; S76-H80 PolarHBondContact O-N 3.27Å; S76-H80 VanDerWaalsContact O-N 3.1Å; H80-H82 VanDerWaalsContact C-N 3.27Å; H80-H82 PolarHBondContact O-N 2.96Å; H80-D416 PolarHBondContact NE2-O 2.93Å; H80-K418 PolarHBondContact CD2-O 3.35Å; H80-K418 VanDerWaalsContact CD2-O 3.26Å; H80-K418 PolarHBondContact CE1-O 3.28Å; H80-K418 PolarHBondContact N-O 2.81Å; H80-K418 VanDerWaalsContact NE2-C 3.31Å; H80-K418 PolarHBondContact NE2-O 3.23Å; H80-Y420 HydrophobicContact CB-CE2 3.97Å; H80-Y420 AromaticContact CD2-CE1 3.86Å; H80-Y420 AromaticContact CD2-CZ 3.91Å
81	S	97.8	Very high	98.6	Very high	92 Å²	92	38.3 Å²	38.3	64%	0.643	19%	0.189	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-68.4	-25.7	167.2	78.5	0	0	0	0	113.1	N79 K83	N79-S81 PolarHBondContact O-N 3.5Å; N79-S81 PolarHBondContact OD1-OG 3.04Å; S81-K83 PolarHBondContact O-N 2.87Å
82	H	98.3	Very high	98.6	Very high	26 Å²	26	40.3 Å²	40.3	12%	0.12	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	108.2	176.3	179.2	-161.2	0	0	0	110.5	R53 L75 S76 N79 H80 V84	R53-H82 PolarHBondContact O-NE2 3.31Å; L75-H82 WeakPolarHBondContact CA-O 3.46Å; S76-H82 PolarHBondContact N-O 3.32Å; N79-H82 WeakPolarHBondContact O-CB 3.31Å; N79-H82 PolarHBondContact O-N 3.1Å; H80-H82 VanDerWaalsContact C-N 3.27Å; H80-H82 PolarHBondContact O-N 2.96Å; H82-V84 PolarHBondContact O-N 3.26Å
83	K	98.6	Very high	98.6	Very high	93 Å²	93	42.4 Å²	42.4	40%	0.404	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	100.2	169.2	-63.9	171.4	-178.5	-179.3	0	109.2	T54 Y73 Q74 L75 S81	T54-K83 WeakPolarHBondContact CA-O 3.27Å; T54-K83 VanDerWaalsContact CB-O 3.26Å; T54-K83 WeakPolarHBondContact CB-O 3.38Å; T54-K83 HydrophobicContact CG2-CB 4.25Å; T54-K83 WeakPolarHBondContact CG2-O 3.48Å; T54-K83 PolarHBondContact OG1-O 3.37Å; Y73-K83 HydrophobicContact CD1-CB 4.02Å; Y73-K83 HydrophobicContact CD1-CD 3.68Å; Y73-K83 HydrophobicContact CD1-CG 4.04Å; Y73-K83 HydrophobicContact CE1-CD 3.88Å; Y73-K83 HydrophobicContact CG-CD 4.07Å; Y73-K83 HydrophobicContact CG-CG 4.31Å; Q74-K83 CarbonylContact O-C 3.53Å; L75-K83 HydrophobicContact CD2-CG 3.81Å; S81-K83 PolarHBondContact O-N 2.87Å
84	V	98.4	Very high	98.6	Very high	10 Å²	10	38 Å²	38	6%	0.061	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	-40.6	-177.3	-177.5	0	0	0	0	111	T54 E55 Q74 H82 I142	T54-V84 WeakPolarHBondContact CA-O 3.38Å; E55-V84 PolarHBondContact N-O 2.75Å; Q74-V84 PolarHBondContact O-N 3.49Å; H82-V84 PolarHBondContact O-N 3.26Å; V84-I142 HydrophobicContact CB-CG2 4.38Å; V84-I142 HydrophobicContact CG1-CG2 3.88Å; V84-I142 HydrophobicContact CG2-CG2 3.56Å
85	A	98.8	Very high	98.6	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	145.1	176.4	0	0	0	0	0	111.8	E55 V57 Y73 Q74 V232	E55-A85 HydrophobicContact CB-CB 4.45Å; E55-A85 CarbonylContact O-C 3.57Å; E55-A85 VanDerWaalsContact O-CA 3.22Å; E55-A85 WeakPolarHBondContact O-CA 3.49Å; V57-A85 HydrophobicContact CG2-CB 3.99Å; Y73-A85 CarbonylContact C-O 3.56Å; Y73-A85 VanDerWaalsContact CA-O 3.22Å; Y73-A85 WeakPolarHBondContact CA-O 3.16Å; Q74-A85 HydrophobicContact CB-CB 4.08Å; Q74-A85 PolarHBondContact N-O 3.19Å; Q74-A85 PolarHBondContact O-N 2.88Å; A85-V232 HydrophobicContact CB-CG1 3.97Å
86	K	98.9	Very high	98.6	Very high	56 Å²	56	37.6 Å²	37.6	24%	0.243	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	126.8	163.9	-178.1	-178.6	66.1	179.7	0	107.1	T54 E55 E56 V57 W67 V71 R72 Y73	T54-K86 HydrophobicContact CG2-CB 3.92Å; E55-K86 PolarHBondContact O-N 3.23Å; E56-K86 VanDerWaalsContact OE1-CE 3.23Å; E56-K86 WeakPolarHBondContact OE1-CE 3.3Å; E56-K86 IonicContact OE1-NZ 3.1Å; E56-K86 PolarHBondContact OE1-NZ 2.92Å; V57-K86 PolarHBondContact N-O 2.88Å; W67-K86 WeakPolarHBondContact CH2-O 3.34Å; W67-K86 HydrophobicContact CZ3-CG 4.41Å; V71-K86 HydrophobicContact CG1-CD 4.1Å; V71-K86 HydrophobicContact CG1-CG 3.72Å; R72-K86 WeakPolarHBondContact O-CA 3.4Å; Y73-K86 HydrophobicContact CD1-CB 3.92Å; Y73-K86 HydrophobicContact CD1-CG 4.18Å; Y73-K86 HydrophobicContact CE1-CB 3.66Å; Y73-K86 HydrophobicContact CE1-CD 4Å; Y73-K86 HydrophobicContact CE1-CG 3.6Å
87	F	98.9	Very high	98.6	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.009	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	179.2	178.3	69.3	-82.1	0	0	0	110.2	V57 V71 R72 Y89 D229 V232 P256	V57-F87 HydrophobicContact CB-CB 4.08Å; V57-F87 VanDerWaalsContact O-CA 3.24Å; V57-F87 WeakPolarHBondContact O-CA 3.44Å; V57-F87 WeakPolarHBondContact O-CB 3.4Å; V71-F87 CarbonylContact C-O 3.49Å; V71-F87 WeakPolarHBondContact CA-O 3.36Å; R72-F87 HydrophobicContact CB-CD1 3.94Å; R72-F87 HydrophobicContact CB-CD2 3.96Å; R72-F87 HydrophobicContact CB-CE1 3.51Å; R72-F87 HydrophobicContact CB-CE2 3.54Å; R72-F87 HydrophobicContact CB-CG 4.16Å; R72-F87 HydrophobicContact CB-CZ 3.29Å; R72-F87 HydrophobicContact CG-CE2 4.08Å; R72-F87 HydrophobicContact CG-CZ 4.1Å; R72-F87 PolarHBondContact N-O 2.96Å; R72-F87 PolarHBondContact O-N 2.89Å; R72-F87 VanDerWaalsContact O-O 3.14Å; F87-Y89 HydrophobicContact CD2-CD1 4.44Å; F87-Y89 AromaticContact CE2-CD1 3.76Å; F87-Y89 HydrophobicContact CE2-CD1 3.76Å; F87-Y89 AromaticContact CE2-CE1 3.58Å; F87-Y89 HydrophobicContact CE2-CE1 3.58Å; F87-Y89 HydrophobicContact CZ-CE1 4.16Å; F87-D229 HydrophobicContact CZ-CB 3.8Å; F87-V232 HydrophobicContact CD1-CG1 3.77Å; F87-V232 HydrophobicContact CE1-CG1 4.1Å; F87-V232 HydrophobicContact CG-CG1 4.22Å; F87-V232 HydrophobicContact CG-CG2 4.43Å; F87-P256 HydrophobicContact CD2-CB 3.58Å; F87-P256 HydrophobicContact CD2-CG 4.26Å; F87-P256 HydrophobicContact CE2-CB 3.92Å
88	C	98.8	Very high	98.6	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	150.9	174.1	64.8	0	0	0	0	110.7	W67 T68 D70	W67-C88 HydrophobicContact CE3-CB 3.94Å; W67-C88 HydrophobicContact CZ3-CB 4.32Å; T68-C88 PolarHBondContact N-SG 3.08Å; T68-C88 VanDerWaalsContact N-SG 3.36Å; T68-C88 WeakPolarHBondContact OG1-CB 3.49Å; D70-C88 VanDerWaalsContact O-CA 3.29Å; D70-C88 WeakPolarHBondContact O-CA 3.31Å
89	Y	98.9	Very high	98.6	Very high	24 Å²	24	41.5 Å²	41.5	9%	0.094	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-79.8	132.8	170.1	-72.9	-23.3	0	0	0	111.4	T68 D70 R72 F87 D91 D229 P256 A257 D258	T68-Y89 WeakPolarHBondContact CB-O 3.42Å; T68-Y89 WeakPolarHBondContact CG2-O 3.38Å; T68-Y89 PolarHBondContact OG1-O 3.44Å; D70-Y89 PolarHBondContact O-N 2.87Å; D70-Y89 WeakPolarHBondContact OD2-CD2 3.17Å; R72-Y89 HydrophobicContact CG-CD1 4.11Å; R72-Y89 HydrophobicContact CG-CD2 4.09Å; R72-Y89 HydrophobicContact CG-CE1 3.98Å; R72-Y89 HydrophobicContact CG-CE2 3.95Å; R72-Y89 HydrophobicContact CG-CG 4.16Å; F87-Y89 HydrophobicContact CD2-CD1 4.44Å; F87-Y89 AromaticContact CE2-CD1 3.76Å; F87-Y89 HydrophobicContact CE2-CD1 3.76Å; F87-Y89 AromaticContact CE2-CE1 3.58Å; F87-Y89 HydrophobicContact CE2-CE1 3.58Å; F87-Y89 HydrophobicContact CZ-CE1 4.16Å; Y89-D91 PolarHBondContact O-N 3.37Å; Y89-D229 WeakPolarHBondContact CE1-OD1 3.45Å; Y89-D229 PolarHBondContact OH-OD2 3.04Å; Y89-P256 CarbonylContact C-O 3.41Å; Y89-P256 WeakPolarHBondContact CA-O 3.19Å; Y89-A257 VanDerWaalsContact CD1-CA 3.48Å; Y89-D258 HydrophobicContact CD2-CB 3.87Å; Y89-D258 HydrophobicContact CE2-CB 3.88Å
90	A	98.8	Very high	98.6	Very high	2 Å²	2	43.9 Å²	43.9	2%	0.017	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-64.6	126.8	164.7	0	0	0	0	0	109.4	L94 I95 L255 P256 A257	A90-L94 HydrophobicContact CB-CB 4.26Å; A90-L94 HydrophobicContact CB-CD2 3.84Å; A90-L94 HydrophobicContact CB-CG 4.16Å; A90-I95 HydrophobicContact CB-CD1 4.41Å; A90-I95 HydrophobicContact CB-CG1 3.89Å; A90-L255 HydrophobicContact CB-CB 4.43Å; A90-L255 HydrophobicContact CB-CD2 4.22Å; A90-P256 PolarHBondContact N-O 3.02Å; A90-A257 HydrophobicContact CB-CB 4.31Å
91	D	98.6	Very high	98.7	Very high	72 Å²	72	42.8 Å²	42.8	39%	0.385	21%	0.213	S	C	.	.	P	Polyproline II helix	trans	-77.1	173.6	168.1	54.6	23.9	0	0	0	110.5	Y89 E93 L94 I95	Y89-D91 PolarHBondContact O-N 3.37Å; D91-E93 PolarHBondContact O-N 3.37Å; D91-L94 PolarHBondContact O-N 2.85Å; D91-L94 WeakPolarHBondContact OD1-CB 3.17Å; D91-L94 PolarHBondContact OD1-N 3.41Å; D91-I95 WeakPolarHBondContact O-CD1 3.44Å; D91-I95 VanDerWaalsContact O-CG1 3.28Å; D91-I95 WeakPolarHBondContact O-CG1 3.28Å; D91-I95 PolarHBondContact O-N 3.35Å
92	K	98.4	Very high	98.7	Very high	98 Å²	98	38.4 Å²	38.4	43%	0.426	18%	0.183	S	C	.	.	H	α-helix	trans	-58.8	-40.8	-178.1	-177.2	-176.9	177	-62.6	0	110.9	I95 D96 A265	K92-I95 PolarHBondContact O-N 3.41Å; K92-D96 IonicContact NZ-OD2 2.84Å; K92-D96 PolarHBondContact NZ-OD2 3.05Å; K92-D96 WeakPolarHBondContact O-CB 3.42Å; K92-D96 PolarHBondContact O-N 3.46Å; K92-A265 HydrophobicContact CG-CB 4.24Å
93	E	98.5	Very high	98.8	Very high	130 Å²	130	38.9 Å²	38.9	61%	0.607	19%	0.186	S	C	*	.	H	α-helix	trans	-61.8	-44.7	-179.5	-67	70.3	-157.8	0	0	111.5	D91 D96 K97	D91-E93 PolarHBondContact O-N 3.37Å; E93-D96 PolarHBondContact O-N 2.94Å; E93-K97 WeakPolarHBondContact O-CB 3.41Å; E93-K97 PolarHBondContact O-N 3.35Å
94	L	98.8	Very high	98.8	Very high	12 Å²	12	38.6 Å²	38.6	6%	0.063	20%	0.201	C	C	.	.	H	α-helix	trans	-67.3	-38.7	175.8	-176.4	57.4	0	0	0	112	C59 V61 V66 T68 A90 D91 K97 A98	C59-L94 HydrophobicContact CB-CD2 3.84Å; V61-L94 HydrophobicContact CG2-CD1 3.72Å; V61-L94 HydrophobicContact CG2-CG 4.35Å; V66-L94 HydrophobicContact CB-CD1 4.29Å; V66-L94 HydrophobicContact CB-CD2 4.07Å; V66-L94 HydrophobicContact CG1-CD1 3.9Å; V66-L94 HydrophobicContact CG1-CD2 3.68Å; V66-L94 HydrophobicContact CG1-CG 4.46Å; V66-L94 HydrophobicContact CG2-CD1 4.19Å; T68-L94 HydrophobicContact CG2-CD2 4.04Å; A90-L94 HydrophobicContact CB-CB 4.26Å; A90-L94 HydrophobicContact CB-CD2 3.84Å; A90-L94 HydrophobicContact CB-CG 4.16Å; D91-L94 PolarHBondContact O-N 2.85Å; D91-L94 WeakPolarHBondContact OD1-CB 3.17Å; D91-L94 PolarHBondContact OD1-N 3.41Å; L94-K97 HydrophobicContact CD1-CD 4.4Å; L94-K97 PolarHBondContact O-N 3.01Å; L94-A98 WeakPolarHBondContact O-CB 3.18Å; L94-A98 PolarHBondContact O-N 3Å
95	I	98.9	Very high	98.8	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-62.2	-46	174.9	-66.5	162.5	0	0	0	110.2	A90 D91 K92 K97 A98 I99 L224 A257 V261 F262 A265 V266	A90-I95 HydrophobicContact CB-CD1 4.41Å; A90-I95 HydrophobicContact CB-CG1 3.89Å; D91-I95 WeakPolarHBondContact O-CD1 3.44Å; D91-I95 VanDerWaalsContact O-CG1 3.28Å; D91-I95 WeakPolarHBondContact O-CG1 3.28Å; D91-I95 PolarHBondContact O-N 3.35Å; K92-I95 PolarHBondContact O-N 3.41Å; I95-K97 PolarHBondContact O-N 2.91Å; I95-A98 WeakPolarHBondContact O-CB 3.2Å; I95-A98 PolarHBondContact O-N 2.72Å; I95-A98 VanDerWaalsContact O-N 3.15Å; I95-I99 HydrophobicContact CG2-CD1 4.22Å; I95-I99 WeakPolarHBondContact O-CG1 3.37Å; I95-I99 PolarHBondContact O-N 2.92Å; I95-L224 HydrophobicContact CG2-CD2 3.98Å; I95-A257 HydrophobicContact CD1-CB 4.32Å; I95-V261 HydrophobicContact CD1-CG1 4.3Å; I95-F262 HydrophobicContact CD1-CB 4.47Å; I95-F262 HydrophobicContact CD1-CD2 4.1Å; I95-F262 HydrophobicContact CG1-CD2 4.45Å; I95-A265 HydrophobicContact CB-CB 4.24Å; I95-A265 HydrophobicContact CD1-CB 4.14Å; I95-A265 HydrophobicContact CG2-CB 3.73Å; I95-V266 HydrophobicContact CG2-CG1 4.39Å
96	D	98.8	Very high	98.8	Very high	50 Å²	50	40.8 Å²	40.8	27%	0.267	21%	0.212	S	C	.	.	H	α-helix	trans	-62.2	-42.7	177.4	-73.3	-24.6	0	0	0	111.4	K92 E93 A98 I99 Q100	K92-D96 IonicContact NZ-OD2 2.84Å; K92-D96 PolarHBondContact NZ-OD2 3.05Å; K92-D96 WeakPolarHBondContact O-CB 3.42Å; K92-D96 PolarHBondContact O-N 3.46Å; E93-D96 PolarHBondContact O-N 2.94Å; D96-A98 VanDerWaalsContact C-N 3.31Å; D96-A98 PolarHBondContact O-N 3.42Å; D96-I99 WeakPolarHBondContact O-CB 3.3Å; D96-I99 PolarHBondContact O-N 3.45Å; D96-Q100 WeakPolarHBondContact O-CG 3.23Å; D96-Q100 PolarHBondContact O-N 2.86Å
97	K	98.8	Very high	98.8	Very high	95 Å²	95	46.8 Å²	46.8	41%	0.413	23%	0.233	S	C	.	.	H	α-helix	trans	-57.8	-44.2	172.8	-179	-178.1	172.1	-172.1	0	111.2	E64 E93 L94 I95 Q100 A101	E64-K97 IonicContact OE1-NZ 2.66Å; E64-K97 PolarHBondContact OE1-NZ 3.38Å; E64-K97 IonicContact OE2-NZ 3.65Å; E64-K97 PolarHBondContact OE2-NZ 2.92Å; E93-K97 WeakPolarHBondContact O-CB 3.41Å; E93-K97 PolarHBondContact O-N 3.35Å; L94-K97 HydrophobicContact CD1-CD 4.4Å; L94-K97 PolarHBondContact O-N 3.01Å; I95-K97 PolarHBondContact O-N 2.91Å; K97-Q100 PolarHBondContact O-N 3.33Å; K97-A101 WeakPolarHBondContact O-CB 3.44Å; K97-A101 PolarHBondContact O-N 2.99Å
98	A	98.9	Very high	98.8	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-66.7	-37.2	179	0	0	0	0	0	112.6	V61 L94 I95 D96 S102 L224 Q253 L255	V61-A98 HydrophobicContact CG1-CB 4.14Å; V61-A98 HydrophobicContact CG2-CB 3.85Å; L94-A98 WeakPolarHBondContact O-CB 3.18Å; L94-A98 PolarHBondContact O-N 3Å; I95-A98 WeakPolarHBondContact O-CB 3.2Å; I95-A98 PolarHBondContact O-N 2.72Å; I95-A98 VanDerWaalsContact O-N 3.15Å; D96-A98 VanDerWaalsContact C-N 3.31Å; D96-A98 PolarHBondContact O-N 3.42Å; A98-S102 VanDerWaalsContact O-CB 3.32Å; A98-S102 WeakPolarHBondContact O-CB 3.37Å; A98-S102 PolarHBondContact O-N 3.09Å; A98-S102 PolarHBondContact O-OG 2.91Å; A98-L224 HydrophobicContact CB-CD2 4.41Å; A98-Q253 HydrophobicContact CB-CB 4.23Å; A98-Q253 HydrophobicContact CB-CG 4.04Å; A98-Q253 PolarHBondContact O-NE2 2.98Å; A98-L255 HydrophobicContact CB-CD1 3.61Å; A98-L255 HydrophobicContact CB-CD2 4.22Å; A98-L255 HydrophobicContact CB-CG 4.46Å
99	I	98.9	Very high	98.8	Very high	2 Å²	2	54.2 Å²	54.2	1%	0.01	27%	0.268	C	S	.	.	H	α-helix	trans	-58.5	-52.5	171.9	-69	170.3	0	0	0	109.7	I95 D96 A101 S102 L103 F196 L224	I95-I99 HydrophobicContact CG2-CD1 4.22Å; I95-I99 WeakPolarHBondContact O-CG1 3.37Å; I95-I99 PolarHBondContact O-N 2.92Å; D96-I99 WeakPolarHBondContact O-CB 3.3Å; D96-I99 PolarHBondContact O-N 3.45Å; I99-A101 PolarHBondContact O-N 3.38Å; I99-S102 WeakPolarHBondContact O-CB 3.45Å; I99-S102 PolarHBondContact O-N 3.34Å; I99-L103 HydrophobicContact CG2-CD1 3.71Å; I99-L103 HydrophobicContact CG2-CG 4.26Å; I99-L103 VanDerWaalsContact O-CG 3.26Å; I99-L103 WeakPolarHBondContact O-CG 3.2Å; I99-L103 PolarHBondContact O-N 2.9Å; I99-F196 HydrophobicContact CD1-CE1 3.94Å; I99-F196 HydrophobicContact CD1-CE2 4.38Å; I99-F196 HydrophobicContact CD1-CZ 3.72Å; I99-F196 HydrophobicContact CG1-CD1 4.37Å; I99-F196 HydrophobicContact CG1-CE1 4Å; I99-F196 HydrophobicContact CG1-CE2 4.26Å; I99-F196 HydrophobicContact CG1-CZ 3.94Å; I99-F196 HydrophobicContact CG2-CD1 3.86Å; I99-F196 HydrophobicContact CG2-CE1 3.83Å; I99-L224 HydrophobicContact CD1-CD2 4.34Å; I99-L224 HydrophobicContact CG1-CD1 4.29Å; I99-L224 HydrophobicContact CG1-CD2 3.51Å
100	Q	98.8	Very high	98.7	Very high	110 Å²	110	54.5 Å²	54.5	51%	0.514	27%	0.271	S	S	.	.	H	α-helix	trans	-62.2	-43.1	-177.2	-63.7	-52.4	-44.7	0	0	112.4	D96 K97 S102 L103 A104	D96-Q100 WeakPolarHBondContact O-CG 3.23Å; D96-Q100 PolarHBondContact O-N 2.86Å; K97-Q100 PolarHBondContact O-N 3.33Å; Q100-S102 VanDerWaalsContact C-N 3.35Å; Q100-S102 PolarHBondContact O-N 3.24Å; Q100-L103 PolarHBondContact O-N 3.35Å; Q100-A104 PolarHBondContact O-N 2.82Å; Q100-A104 VanDerWaalsContact O-N 3.1Å
101	A	98.8	Very high	98.7	Very high	24 Å²	24	60.4 Å²	60.4	20%	0.198	30%	0.302	C	S	.	.	H	α-helix	trans	-62.9	-41.3	177.5	0	0	0	0	0	112.2	V61 K97 I99 A104 A105 N250	V61-A101 HydrophobicContact CG1-CB 4.21Å; K97-A101 WeakPolarHBondContact O-CB 3.44Å; K97-A101 PolarHBondContact O-N 2.99Å; I99-A101 PolarHBondContact O-N 3.38Å; A101-A104 PolarHBondContact O-N 2.97Å; A101-A105 PolarHBondContact O-N 3.46Å; A101-N250 WeakPolarHBondContact CB-OD1 3.44Å
102	S	98.8	Very high	98.7	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-61.7	-47.3	174.7	-67.3	0	0	0	0	112.1	A98 I99 Q100 A104 A105 R106 V222 N250 Q253	A98-S102 VanDerWaalsContact O-CB 3.32Å; A98-S102 WeakPolarHBondContact O-CB 3.37Å; A98-S102 PolarHBondContact O-N 3.09Å; A98-S102 PolarHBondContact O-OG 2.91Å; I99-S102 WeakPolarHBondContact O-CB 3.45Å; I99-S102 PolarHBondContact O-N 3.34Å; Q100-S102 VanDerWaalsContact C-N 3.35Å; Q100-S102 PolarHBondContact O-N 3.24Å; S102-A104 VanDerWaalsContact C-N 3.27Å; S102-A104 PolarHBondContact O-N 3.35Å; S102-A105 PolarHBondContact O-N 3.19Å; S102-A105 VanDerWaalsContact O-N 3.12Å; S102-R106 PolarHBondContact O-N 2.92Å; S102-V222 WeakPolarHBondContact O-CG1 3.32Å; S102-N250 WeakPolarHBondContact CA-O 3.14Å; S102-N250 PolarHBondContact OG-O 3.44Å; S102-Q253 WeakPolarHBondContact OG-CG 3.13Å; S102-Q253 PolarHBondContact OG-NE2 3.28Å; S102-Q253 VanDerWaalsContact OG-NE2 3.09Å
103	L	98.9	Very high	98.7	Very high	37 Å²	37	58.9 Å²	58.9	19%	0.194	30%	0.298	C	S	.	.	H	α-helix	trans	-61.6	-36.2	-179.4	-67.5	171.2	0	0	0	112.4	I99 Q100 A105 R106 H271	I99-L103 HydrophobicContact CG2-CD1 3.71Å; I99-L103 HydrophobicContact CG2-CG 4.26Å; I99-L103 VanDerWaalsContact O-CG 3.26Å; I99-L103 WeakPolarHBondContact O-CG 3.2Å; I99-L103 PolarHBondContact O-N 2.9Å; Q100-L103 PolarHBondContact O-N 3.35Å; L103-A105 VanDerWaalsContact C-N 3.34Å; L103-A105 PolarHBondContact O-N 2.8Å; L103-R106 PolarHBondContact O-N 3.1Å; L103-H271 HydrophobicContact CD1-CB 3.73Å; L103-H271 WeakPolarHBondContact CD1-CD2 3.45Å; L103-H271 VanDerWaalsContact CD1-CG 3.49Å; L103-H271 HydrophobicContact CD2-CB 3.93Å; L103-H271 HydrophobicContact CG-CB 4.46Å
104	A	98.8	Very high	98.6	Very high	86 Å²	86	52.9 Å²	52.9	71%	0.711	27%	0.271	S	S	*	.	H	α-helix	trans	-64.5	-36	176	0	0	0	0	0	112.8	Q100 A101 S102	Q100-A104 PolarHBondContact O-N 2.82Å; Q100-A104 VanDerWaalsContact O-N 3.1Å; A101-A104 PolarHBondContact O-N 2.97Å; S102-A104 VanDerWaalsContact C-N 3.27Å; S102-A104 PolarHBondContact O-N 3.35Å
105	A	98.7	Very high	98.5	Very high	20 Å²	20	57.2 Å²	57.2	17%	0.165	29%	0.286	C	S	.	.	H	α-helix	trans	-83.6	-20.8	179.9	0	0	0	0	0	114	A101 S102 L103 R107 E108 W109 N250 I251	A101-A105 PolarHBondContact O-N 3.46Å; S102-A105 PolarHBondContact O-N 3.19Å; S102-A105 VanDerWaalsContact O-N 3.12Å; L103-A105 VanDerWaalsContact C-N 3.34Å; L103-A105 PolarHBondContact O-N 2.8Å; A105-R107 PolarHBondContact O-N 3.32Å; A105-E108 PolarHBondContact O-N 3.47Å; A105-W109 PolarHBondContact O-N 3.11Å; A105-N250 HydrophobicContact CB-CB 3.68Å; A105-I251 HydrophobicContact CB-CD1 4.11Å
106	R	98.8	Very high	98.5	Very high	37 Å²	37	61.3 Å²	61.3	14%	0.14	31%	0.309	C	S	.	.	H	α-helix	trans	-55.2	-46.7	-169.4	-168.6	-159.1	73.4	72.2	0.6	113.8	S102 L103 E108 W109 D110 G195 V222	S102-R106 PolarHBondContact O-N 2.92Å; L103-R106 PolarHBondContact O-N 3.1Å; R106-E108 PolarHBondContact O-N 3.24Å; R106-W109 PolarHBondContact O-N 3.33Å; R106-D110 IonicContact CZ-OD2 2.75Å; R106-D110 IonicContact NH1-OD2 2.9Å; R106-D110 PolarHBondContact NH1-OD2 2.74Å; R106-D110 VanDerWaalsContact O-CB 3.29Å; R106-D110 WeakPolarHBondContact O-CB 3.45Å; R106-D110 PolarHBondContact O-N 3.42Å; R106-G195 WeakPolarHBondContact CD-O 3.27Å; R106-V222 HydrophobicContact CB-CG1 3.77Å; R106-V222 HydrophobicContact CB-CG2 3.95Å; R106-V222 HydrophobicContact CG-CG1 4.02Å; R106-V222 HydrophobicContact CG-CG2 3.97Å
107	R	98.5	Very high	98.5	Very high	182 Å²	182	59.2 Å²	59.2	69%	0.687	30%	0.297	S	S	*	.	H	α-helix	trans	-64.5	-43.4	-172.1	-177.2	176.6	178.3	176.8	-0.5	112.2	A105 W109 L111	A105-R107 PolarHBondContact O-N 3.32Å; R107-W109 VanDerWaalsContact C-N 3.31Å; R107-L111 HydrophobicContact CG-CD1 4.02Å; R107-L111 WeakPolarHBondContact O-CB 3.47Å; R107-L111 VanDerWaalsContact O-CG 3.27Å; R107-L111 WeakPolarHBondContact O-CG 3.29Å; R107-L111 PolarHBondContact O-N 2.67Å; R107-L111 VanDerWaalsContact O-N 3.13Å
108	E	98.6	Very high	98.4	Very high	152 Å²	152	54.8 Å²	54.8	71%	0.71	28%	0.278	S	S	*	.	H	α-helix	trans	-64.2	-40.8	177.7	-173.4	-176	158.7	0	0	110.9	A105 R106 L111 K112	A105-E108 PolarHBondContact O-N 3.47Å; R106-E108 PolarHBondContact O-N 3.24Å; E108-L111 PolarHBondContact O-N 2.65Å; E108-K112 PolarHBondContact O-N 2.69Å
109	W	98.8	Very high	98.4	Very high	6 Å²	6	59.6 Å²	59.6	2%	0.023	30%	0.3	C	S	.	.	H	α-helix	trans	-66	-45.5	178.3	-178.5	-118.9	0	0	0	113.6	A105 R106 R107 L111 K112 R117 I120 A217 N221 L247 P248 I251	A105-W109 PolarHBondContact O-N 3.11Å; R106-W109 PolarHBondContact O-N 3.33Å; R107-W109 VanDerWaalsContact C-N 3.31Å; W109-L111 VanDerWaalsContact C-N 3.31Å; W109-L111 PolarHBondContact O-N 2.77Å; W109-K112 HydrophobicContact CE3-CD 4.03Å; W109-K112 HydrophobicContact CZ3-CD 3.66Å; W109-K112 VanDerWaalsContact O-CB 3.25Å; W109-K112 WeakPolarHBondContact O-CB 3.4Å; W109-K112 PolarHBondContact O-N 2.93Å; W109-R117 HydrophobicContact CD2-CG 4.38Å; W109-R117 HydrophobicContact CE3-CG 4.31Å; W109-R117 HydrophobicContact CH2-CB 3.71Å; W109-R117 HydrophobicContact CH2-CG 3.42Å; W109-R117 VanDerWaalsContact CH2-CG 3.42Å; W109-R117 HydrophobicContact CZ2-CB 3.78Å; W109-R117 HydrophobicContact CZ2-CG 3.52Å; W109-R117 HydrophobicContact CZ3-CG 3.86Å; W109-R117 PolarHBondContact O-NH1 3.36Å; W109-I120 HydrophobicContact CH2-CD1 3.58Å; W109-I120 HydrophobicContact CZ3-CD1 4.01Å; W109-A217 PolarHBondContact NE1-O 3.12Å; W109-N221 VanDerWaalsContact CD1-O 3.29Å; W109-N221 PolarHBondContact NE1-O 2.87Å; W109-L247 HydrophobicContact CZ2-CD1 4.48Å; W109-P248 HydrophobicContact CE3-CG 4.04Å; W109-P248 HydrophobicContact CZ3-CG 3.95Å; W109-I251 HydrophobicContact CB-CD1 3.52Å; W109-I251 HydrophobicContact CD2-CD1 3.96Å; W109-I251 HydrophobicContact CD2-CG1 4.05Å; W109-I251 HydrophobicContact CD2-CG2 4.1Å; W109-I251 HydrophobicContact CE3-CD1 4.42Å; W109-I251 HydrophobicContact CE3-CG1 4.32Å; W109-I251 HydrophobicContact CG-CD1 3.53Å; W109-I251 HydrophobicContact CG-CG1 4.13Å; W109-I251 HydrophobicContact CG-CG2 4.17Å; W109-I251 HydrophobicContact CZ2-CG2 4.21Å
110	D	98.8	Very high	98.4	Very high	29 Å²	29	60.3 Å²	60.3	16%	0.155	30%	0.304	C	S	.	.	H	α-helix	trans	-61.9	-37.5	177.4	-176.2	27.2	0	0	0	112	R106 K112 R117 G192	R106-D110 IonicContact CZ-OD2 2.75Å; R106-D110 IonicContact NH1-OD2 2.9Å; R106-D110 PolarHBondContact NH1-OD2 2.74Å; R106-D110 VanDerWaalsContact O-CB 3.29Å; R106-D110 WeakPolarHBondContact O-CB 3.45Å; R106-D110 PolarHBondContact O-N 3.42Å; D110-K112 VanDerWaalsContact C-N 3.31Å; D110-K112 PolarHBondContact O-N 2.95Å; D110-R117 PolarHBondContact O-NH1 2.88Å; D110-G192 PolarHBondContact OD1-N 3.34Å
111	L	98.5	Very high	98.4	Very high	127 Å²	127	55.5 Å²	55.5	67%	0.665	28%	0.282	S	S	*	.	H	α-helix	trans	-76	-14.7	177.3	-70.8	173.8	0	0	0	114.2	R107 E108 W109	R107-L111 HydrophobicContact CG-CD1 4.02Å; R107-L111 WeakPolarHBondContact O-CB 3.47Å; R107-L111 VanDerWaalsContact O-CG 3.27Å; R107-L111 WeakPolarHBondContact O-CG 3.29Å; R107-L111 PolarHBondContact O-N 2.67Å; R107-L111 VanDerWaalsContact O-N 3.13Å; E108-L111 PolarHBondContact O-N 2.65Å; W109-L111 VanDerWaalsContact C-N 3.31Å; W109-L111 PolarHBondContact O-N 2.77Å
112	K	98.2	Very high	98.4	Very high	67 Å²	67	56.1 Å²	56.1	29%	0.291	28%	0.28	S	S	.	.	S	Bend	trans	-63.7	138.7	174.3	-167.4	178.4	-61	-64.6	0	109.6	E108 W109 D110 V114 D116 R117	E108-K112 PolarHBondContact O-N 2.69Å; W109-K112 HydrophobicContact CE3-CD 4.03Å; W109-K112 HydrophobicContact CZ3-CD 3.66Å; W109-K112 VanDerWaalsContact O-CB 3.25Å; W109-K112 WeakPolarHBondContact O-CB 3.4Å; W109-K112 PolarHBondContact O-N 2.93Å; D110-K112 VanDerWaalsContact C-N 3.31Å; D110-K112 PolarHBondContact O-N 2.95Å; K112-V114 PolarHBondContact O-N 3.27Å; K112-D116 HydrophobicContact CD-CB 3.93Å; K112-D116 HydrophobicContact CG-CB 3.82Å; K112-R117 HydrophobicContact CB-CG 4.23Å; K112-R117 HydrophobicContact CD-CG 4.19Å; K112-R117 HydrophobicContact CG-CG 4.34Å; K112-R117 PolarHBondContact O-NH1 2.84Å
113	P	97.9	Very high	98.4	Very high	70 Å²	70	60.9 Å²	60.9	46%	0.455	30%	0.301	S	S	.	.			trans	-53.6	141	176.3	-27.2	34.9	0	0	0	112.6	R115 D116 R117	P113-R115 PolarHBondContact O-N 3.2Å; P113-D116 HydrophobicContact CB-CB 4.49Å; P113-D116 WeakPolarHBondContact CD-OD2 3.44Å; P113-D116 PolarHBondContact O-N 3.37Å; P113-R117 PolarHBondContact O-N 2.88Å
114	V	97.6	Very high	98.4	Very high	5 Å²	5	59.1 Å²	59.1	3%	0.03	29%	0.291	C	S	.	.	H	α-helix	trans	-55.2	-39	-180	174.4	0	0	0	0	111.1	K112 D116 R117 A118 A170 V171 E174	K112-V114 PolarHBondContact O-N 3.27Å; V114-D116 VanDerWaalsContact C-N 3.32Å; V114-D116 PolarHBondContact O-N 3.39Å; V114-R117 VanDerWaalsContact CG2-NH2 3.34Å; V114-R117 PolarHBondContact O-N 2.71Å; V114-A118 VanDerWaalsContact O-CB 3.28Å; V114-A118 WeakPolarHBondContact O-CB 3.36Å; V114-A118 PolarHBondContact O-N 2.96Å; V114-A170 HydrophobicContact CG1-CB 3.82Å; V114-V171 HydrophobicContact CG1-CG2 4.28Å; V114-E174 HydrophobicContact CB-CG 4.15Å; V114-E174 VanDerWaalsContact CG2-CD 3.46Å; V114-E174 HydrophobicContact CG2-CG 3.85Å; V114-E174 VanDerWaalsContact CG2-OE1 3.28Å; V114-E174 WeakPolarHBondContact CG2-OE1 3.21Å
115	R	96.5	Very high	98.4	Very high	102 Å²	102	55 Å²	55	39%	0.385	26%	0.258	S	S	.	.	H	α-helix	trans	-59.2	-39.6	177.1	-64.2	-175.4	-172.9	179.3	5.9	113.4	P113 A118 Q119 V171	P113-R115 PolarHBondContact O-N 3.2Å; R115-A118 PolarHBondContact O-N 3.19Å; R115-Q119 PolarHBondContact O-N 3.38Å; R115-V171 HydrophobicContact CG-CG1 4.15Å; R115-V171 HydrophobicContact CG-CG2 4.06Å
116	D	97.6	Very high	98.4	Very high	87 Å²	87	58.7 Å²	58.7	47%	0.465	27%	0.274	S	S	.	.	H	α-helix	trans	-71	-36.7	179.6	-65.1	-8.9	0	0	0	110.6	K112 P113 V114	K112-D116 HydrophobicContact CD-CB 3.93Å; K112-D116 HydrophobicContact CG-CB 3.82Å; P113-D116 HydrophobicContact CB-CB 4.49Å; P113-D116 WeakPolarHBondContact CD-OD2 3.44Å; P113-D116 PolarHBondContact O-N 3.37Å; V114-D116 VanDerWaalsContact C-N 3.32Å; V114-D116 PolarHBondContact O-N 3.39Å
117	R	98.6	Very high	98.4	Very high	6 Å²	6	58.5 Å²	58.5	2%	0.023	28%	0.277	C	S	.	.	H	α-helix	trans	-66.4	-44	172.1	-58.6	-162.7	-70.8	-104.5	-0.7	111.6	W109 D110 K112 P113 V114 Q119 I120 L218	W109-R117 HydrophobicContact CD2-CG 4.38Å; W109-R117 HydrophobicContact CE3-CG 4.31Å; W109-R117 HydrophobicContact CH2-CB 3.71Å; W109-R117 HydrophobicContact CH2-CG 3.42Å; W109-R117 VanDerWaalsContact CH2-CG 3.42Å; W109-R117 HydrophobicContact CZ2-CB 3.78Å; W109-R117 HydrophobicContact CZ2-CG 3.52Å; W109-R117 HydrophobicContact CZ3-CG 3.86Å; W109-R117 PolarHBondContact O-NH1 3.36Å; D110-R117 PolarHBondContact O-NH1 2.88Å; K112-R117 HydrophobicContact CB-CG 4.23Å; K112-R117 HydrophobicContact CD-CG 4.19Å; K112-R117 HydrophobicContact CG-CG 4.34Å; K112-R117 PolarHBondContact O-NH1 2.84Å; P113-R117 PolarHBondContact O-N 2.88Å; V114-R117 VanDerWaalsContact CG2-NH2 3.34Å; V114-R117 PolarHBondContact O-N 2.71Å; R117-Q119 VanDerWaalsContact C-N 3.29Å; R117-Q119 PolarHBondContact O-N 3.01Å; R117-I120 WeakPolarHBondContact O-CB 3.42Å; R117-I120 PolarHBondContact O-N 2.82Å; R117-L218 HydrophobicContact CB-CD1 4.42Å; R117-L218 PolarHBondContact NE-O 3.02Å
118	A	98.4	Very high	98.4	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.008	25%	0.245	C	C	.	.	H	α-helix	trans	-59.8	-37.3	177.1	0	0	0	0	0	112.5	V114 R115 I120 L121 F122 A167 V171 L218	V114-A118 VanDerWaalsContact O-CB 3.28Å; V114-A118 WeakPolarHBondContact O-CB 3.36Å; V114-A118 PolarHBondContact O-N 2.96Å; R115-A118 PolarHBondContact O-N 3.19Å; A118-I120 PolarHBondContact O-N 3.17Å; A118-L121 PolarHBondContact O-N 3.11Å; A118-F122 HydrophobicContact CB-CD2 4.41Å; A118-F122 HydrophobicContact CB-CE2 4.06Å; A118-F122 WeakPolarHBondContact O-CD2 3.42Å; A118-F122 PolarHBondContact O-N 3.04Å; A118-A167 HydrophobicContact CB-CB 3.93Å; A118-V171 HydrophobicContact CB-CG2 3.85Å; A118-L218 HydrophobicContact CB-CD1 3.89Å
119	Q	98.3	Very high	98.4	Very high	101 Å²	101	44.3 Å²	44.3	47%	0.472	22%	0.222	S	C	.	.	H	α-helix	trans	-58.7	-30	178.9	-170	58.9	37.5	0	0	113.3	R115 R117 K123	R115-Q119 PolarHBondContact O-N 3.38Å; R117-Q119 VanDerWaalsContact C-N 3.29Å; R117-Q119 PolarHBondContact O-N 3.01Å; Q119-K123 VanDerWaalsContact O-CB 3.32Å; Q119-K123 WeakPolarHBondContact O-CB 3.46Å; Q119-K123 PolarHBondContact O-N 2.89Å
120	I	98.7	Very high	98.3	Very high	18 Å²	18	45.7 Å²	45.7	9%	0.092	24%	0.239	C	C	.	.	H	α-helix	trans	-66	-45.6	176.4	-56.8	-179.2	0	0	0	110.4	W109 R117 A118 K123 A124 C245 G246 L247	W109-I120 HydrophobicContact CH2-CD1 3.58Å; W109-I120 HydrophobicContact CZ3-CD1 4.01Å; R117-I120 WeakPolarHBondContact O-CB 3.42Å; R117-I120 PolarHBondContact O-N 2.82Å; A118-I120 PolarHBondContact O-N 3.17Å; I120-K123 PolarHBondContact O-N 3.27Å; I120-A124 WeakPolarHBondContact O-CB 3.28Å; I120-A124 PolarHBondContact O-N 2.92Å; I120-C245 HydrophobicContact CG2-CB 4.28Å; I120-G246 WeakPolarHBondContact CD1-O 3.42Å; I120-L247 HydrophobicContact CG2-CB 4.21Å
121	L	98.7	Very high	98.3	Very high	9 Å²	9	49.7 Å²	49.7	5%	0.047	27%	0.267	C	S	.	.	H	α-helix	trans	-69.7	-38.8	178.1	-67.3	-170.9	0	0	0	111.9	A118 K123 A124 A125 F163 A167 L218 L242	A118-L121 PolarHBondContact O-N 3.11Å; L121-K123 VanDerWaalsContact C-N 3.33Å; L121-K123 PolarHBondContact O-N 3.37Å; L121-A124 PolarHBondContact O-N 3.31Å; L121-A125 WeakPolarHBondContact O-CB 3.29Å; L121-A125 PolarHBondContact O-N 3.13Å; L121-F163 HydrophobicContact CB-CB 4.06Å; L121-F163 HydrophobicContact CB-CG 4.34Å; L121-F163 HydrophobicContact CD1-CD1 4.37Å; L121-F163 HydrophobicContact CD2-CD1 3.83Å; L121-F163 HydrophobicContact CD2-CD2 4.43Å; L121-F163 HydrophobicContact CD2-CE1 3.95Å; L121-F163 HydrophobicContact CD2-CG 4.07Å; L121-F163 HydrophobicContact CD2-CZ 4.3Å; L121-A167 HydrophobicContact CB-CB 4.37Å; L121-L218 HydrophobicContact CD1-CB 3.87Å; L121-L218 HydrophobicContact CD1-CD1 4.24Å; L121-L218 HydrophobicContact CD1-CD2 4Å; L121-L218 HydrophobicContact CD1-CG 4.26Å; L121-L242 HydrophobicContact CD2-CD2 3.57Å
122	F	98.7	Very high	98.3	Very high	37 Å²	37	46.1 Å²	46.1	16%	0.162	25%	0.246	C	C	.	.	H	α-helix	trans	-59.1	-45	172	-71.7	-49.8	0	0	0	112	V23 V25 A118 A125 D126 R164 A167	V23-F122 HydrophobicContact CG1-CE1 4.32Å; V23-F122 HydrophobicContact CG1-CE2 4.21Å; V23-F122 HydrophobicContact CG1-CZ 3.6Å; V25-F122 HydrophobicContact CG1-CE1 3.87Å; V25-F122 HydrophobicContact CG1-CZ 4.5Å; A118-F122 HydrophobicContact CB-CD2 4.41Å; A118-F122 HydrophobicContact CB-CE2 4.06Å; A118-F122 WeakPolarHBondContact O-CD2 3.42Å; A118-F122 PolarHBondContact O-N 3.04Å; F122-A125 WeakPolarHBondContact O-CB 3.48Å; F122-A125 PolarHBondContact O-N 2.96Å; F122-D126 PolarHBondContact O-N 3.11Å; F122-R164 HydrophobicContact CD1-CG 4.29Å; F122-R164 HydrophobicContact CE1-CB 4.39Å; F122-R164 WeakPolarHBondContact CE1-O 3.41Å; F122-A167 HydrophobicContact CD1-CB 4.13Å; F122-A167 HydrophobicContact CD2-CB 4.2Å; F122-A167 HydrophobicContact CE1-CB 3.61Å; F122-A167 HydrophobicContact CE2-CB 3.69Å; F122-A167 HydrophobicContact CG-CB 4.38Å; F122-A167 HydrophobicContact CZ-CB 3.34Å
123	K	98.6	Very high	98.3	Very high	100 Å²	100	43.5 Å²	43.5	44%	0.435	23%	0.234	S	C	.	.	H	α-helix	trans	-65.2	-42.5	177.3	-173	-177	172.2	-168.5	0	111.8	Q119 I120 L121 A125 D126 V127 C245	Q119-K123 VanDerWaalsContact O-CB 3.32Å; Q119-K123 WeakPolarHBondContact O-CB 3.46Å; Q119-K123 PolarHBondContact O-N 2.89Å; I120-K123 PolarHBondContact O-N 3.27Å; L121-K123 VanDerWaalsContact C-N 3.33Å; L121-K123 PolarHBondContact O-N 3.37Å; K123-A125 VanDerWaalsContact C-N 3.34Å; K123-A125 PolarHBondContact O-N 3.05Å; K123-D126 PolarHBondContact O-N 2.84Å; K123-V127 WeakPolarHBondContact O-CG2 3.37Å; K123-V127 PolarHBondContact O-N 3.17Å; K123-C245 HydrophobicContact CB-CB 4.23Å; K123-C245 HydrophobicContact CD-CB 4.02Å; K123-C245 HydrophobicContact CG-CB 4.12Å
124	A	98.8	Very high	98.4	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-60.8	-44	176.1	0	0	0	0	0	111.4	I120 L121 D126 V127 I128 F163 V241 L242 C245	I120-A124 WeakPolarHBondContact O-CB 3.28Å; I120-A124 PolarHBondContact O-N 2.92Å; L121-A124 PolarHBondContact O-N 3.31Å; A124-D126 VanDerWaalsContact C-N 3.34Å; A124-D126 PolarHBondContact O-N 3.21Å; A124-V127 PolarHBondContact O-N 3.32Å; A124-I128 VanDerWaalsContact O-CG1 3.22Å; A124-I128 WeakPolarHBondContact O-CG1 3.26Å; A124-I128 PolarHBondContact O-N 3.29Å; A124-F163 HydrophobicContact CB-CD2 3.85Å; A124-F163 HydrophobicContact CB-CE2 3.86Å; A124-V241 HydrophobicContact CB-CG1 4.01Å; A124-L242 HydrophobicContact CB-CD2 3.97Å; A124-C245 VanDerWaalsContact CA-SG 3.52Å; A124-C245 HydrophobicContact CB-CB 4.21Å
125	A	98.8	Very high	98.4	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-57.3	-44.4	174.3	0	0	0	0	0	112.3	L121 F122 K123 I128 S129 I160 F163 R164	L121-A125 WeakPolarHBondContact O-CB 3.29Å; L121-A125 PolarHBondContact O-N 3.13Å; F122-A125 WeakPolarHBondContact O-CB 3.48Å; F122-A125 PolarHBondContact O-N 2.96Å; K123-A125 VanDerWaalsContact C-N 3.34Å; K123-A125 PolarHBondContact O-N 3.05Å; A125-I128 PolarHBondContact O-N 3.18Å; A125-S129 WeakPolarHBondContact O-CB 3.28Å; A125-S129 PolarHBondContact O-N 3.17Å; A125-I160 HydrophobicContact CB-CG2 4.1Å; A125-F163 HydrophobicContact CB-CB 3.97Å; A125-R164 HydrophobicContact CB-CG 3.72Å
126	D	98.6	Very high	98.5	Very high	97 Å²	97	38.9 Å²	38.9	52%	0.519	21%	0.213	S	C	.	.	H	α-helix	trans	-68.4	-37	177.9	-73.2	-12	0	0	0	112.8	F122 K123 A124 S129 G130 R164	F122-D126 PolarHBondContact O-N 3.11Å; K123-D126 PolarHBondContact O-N 2.84Å; A124-D126 VanDerWaalsContact C-N 3.34Å; A124-D126 PolarHBondContact O-N 3.21Å; D126-S129 PolarHBondContact O-N 2.91Å; D126-G130 PolarHBondContact O-N 2.91Å; D126-G130 VanDerWaalsContact O-N 3.08Å; D126-R164 IonicContact OD1-CZ 3.62Å; D126-R164 IonicContact OD1-NE 2.65Å; D126-R164 IonicContact OD1-NH2 3.49Å; D126-R164 PolarHBondContact OD1-NH2 3.27Å; D126-R164 VanDerWaalsContact OD1-NH2 3.12Å
127	V	98.8	Very high	98.6	Very high	33 Å²	33	34.8 Å²	34.8	20%	0.2	19%	0.191	C	C	.	.	H	α-helix	trans	-65	-41.4	175.3	167	0	0	0	0	111.1	K123 A124 G130 P131 K132 V241	K123-V127 WeakPolarHBondContact O-CG2 3.37Å; K123-V127 PolarHBondContact O-N 3.17Å; A124-V127 PolarHBondContact O-N 3.32Å; V127-G130 CarbonylContact O-C 3.52Å; V127-P131 HydrophobicContact CG1-CG 4.46Å; V127-P131 WeakPolarHBondContact O-CD 3.26Å; V127-K132 HydrophobicContact CG1-CB 4Å; V127-K132 HydrophobicContact CG1-CG 3.45Å; V127-K132 VanDerWaalsContact CG1-CG 3.45Å; V127-K132 WeakPolarHBondContact O-CB 3.36Å; V127-K132 PolarHBondContact O-N 3.14Å; V127-V241 HydrophobicContact CB-CG1 4.26Å; V127-V241 HydrophobicContact CG1-CG1 3.91Å; V127-V241 HydrophobicContact CG1-CG2 4.36Å
128	I	98.8	Very high	98.6	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-71.6	-39.1	176.9	-61	166.9	0	0	0	110.7	A124 A125 G130 R133 I136 L159 I160 F163 V241	A124-I128 VanDerWaalsContact O-CG1 3.22Å; A124-I128 WeakPolarHBondContact O-CG1 3.26Å; A124-I128 PolarHBondContact O-N 3.29Å; A125-I128 PolarHBondContact O-N 3.18Å; I128-G130 VanDerWaalsContact C-N 3.28Å; I128-G130 PolarHBondContact O-N 2.82Å; I128-R133 WeakPolarHBondContact O-CA 3.17Å; I128-R133 WeakPolarHBondContact O-CB 3.37Å; I128-R133 PolarHBondContact O-N 3.37Å; I128-R133 VanDerWaalsContact O-N 3.14Å; I128-I136 HydrophobicContact CB-CD1 4.45Å; I128-I136 HydrophobicContact CD1-CD1 4.24Å; I128-I136 HydrophobicContact CG1-CD1 3.75Å; I128-I136 HydrophobicContact CG2-CD1 4.05Å; I128-L159 HydrophobicContact CD1-CD2 3.8Å; I128-L159 HydrophobicContact CD1-CG 4.16Å; I128-I160 HydrophobicContact CB-CD1 4.28Å; I128-I160 HydrophobicContact CB-CG1 3.96Å; I128-I160 HydrophobicContact CG2-CD1 3.9Å; I128-I160 HydrophobicContact CG2-CG1 3.79Å; I128-F163 HydrophobicContact CD1-CD2 4.25Å; I128-F163 HydrophobicContact CD1-CE2 3.83Å; I128-V241 HydrophobicContact CD1-CG1 4.22Å; I128-V241 HydrophobicContact CG1-CG1 3.97Å
129	S	98.6	Very high	98.6	Very high	35 Å²	35	34.8 Å²	34.8	25%	0.245	19%	0.191	C	C	.	.	H	α-helix	trans	-60.8	-36.9	177.8	177.7	0	0	0	0	112.1	E28 A125 D126 R133	E28-S129 WeakPolarHBondContact OE1-CB 3.38Å; E28-S129 PolarHBondContact OE1-OG 2.81Å; E28-S129 PolarHBondContact OE2-OG 2.86Å; A125-S129 WeakPolarHBondContact O-CB 3.28Å; A125-S129 PolarHBondContact O-N 3.17Å; D126-S129 PolarHBondContact O-N 2.91Å; S129-R133 PolarHBondContact O-NH1 2.83Å
130	G	97.7	Very high	98.6	Very high	36 Å²	36	30 Å²	30	37%	0.371	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.1	-104.6	177.1	0	0	0	0	0	113.7	D126 V127 I128 K132 R133	D126-G130 PolarHBondContact O-N 2.91Å; D126-G130 VanDerWaalsContact O-N 3.08Å; V127-G130 CarbonylContact O-C 3.52Å; I128-G130 VanDerWaalsContact C-N 3.28Å; I128-G130 PolarHBondContact O-N 2.82Å; G130-K132 PolarHBondContact O-N 3.08Å; G130-R133 WeakPolarHBondContact O-CB 3.33Å; G130-R133 PolarHBondContact O-N 2.87Å; G130-R133 VanDerWaalsContact O-N 3.14Å
131	P	97.6	Very high	98.7	Very high	113 Å²	113	29.1 Å²	29.1	73%	0.734	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-18.3	-161.2	25.7	-36.6	0	0	0	115.9	V127	V127-P131 HydrophobicContact CG1-CG 4.46Å; V127-P131 WeakPolarHBondContact O-CD 3.26Å
132	K	98.5	Very high	98.6	Very high	51 Å²	51	28.9 Å²	28.9	22%	0.222	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.3	0.1	-179.8	-67.3	-71.8	-178.7	170.2	0	114	V127 G130 E135 I136 V241	V127-K132 HydrophobicContact CG1-CB 4Å; V127-K132 HydrophobicContact CG1-CG 3.45Å; V127-K132 VanDerWaalsContact CG1-CG 3.45Å; V127-K132 WeakPolarHBondContact O-CB 3.36Å; V127-K132 PolarHBondContact O-N 3.14Å; G130-K132 PolarHBondContact O-N 3.08Å; K132-E135 WeakPolarHBondContact CD-OE2 3.23Å; K132-E135 IonicContact NZ-OE2 3.92Å; K132-E135 PolarHBondContact NZ-OE2 3Å; K132-E135 PolarHBondContact O-N 3.5Å; K132-I136 HydrophobicContact CB-CD1 4.3Å; K132-I136 PolarHBondContact O-N 3.3Å; K132-I136 VanDerWaalsContact O-N 3.13Å; K132-V241 HydrophobicContact CB-CG2 4.28Å; K132-V241 HydrophobicContact CD-CG2 4.47Å; K132-V241 HydrophobicContact CG-CG2 4.03Å
133	R	98.8	Very high	98.6	Very high	12 Å²	12	27.1 Å²	27.1	5%	0.045	16%	0.155	C	C	.	.	H	α-helix	trans	-56.4	-57.8	-177.1	-157.4	-172.6	-164.5	98	-4.6	111.6	E28 P29 I128 S129 G130 E135 I136 L137 E152 A156	E28-R133 IonicContact OE1-CZ 3.64Å; E28-R133 IonicContact OE1-NH1 2.74Å; E28-R133 PolarHBondContact OE1-NH1 3.14Å; E28-R133 IonicContact OE1-NH2 2.62Å; P29-R133 PolarHBondContact O-NH2 3.25Å; P29-R133 VanDerWaalsContact O-NH2 3.16Å; I128-R133 WeakPolarHBondContact O-CA 3.17Å; I128-R133 WeakPolarHBondContact O-CB 3.37Å; I128-R133 PolarHBondContact O-N 3.37Å; I128-R133 VanDerWaalsContact O-N 3.14Å; S129-R133 PolarHBondContact O-NH1 2.83Å; G130-R133 WeakPolarHBondContact O-CB 3.33Å; G130-R133 PolarHBondContact O-N 2.87Å; G130-R133 VanDerWaalsContact O-N 3.14Å; R133-E135 VanDerWaalsContact C-N 3.33Å; R133-E135 PolarHBondContact O-N 2.87Å; R133-I136 PolarHBondContact O-N 2.95Å; R133-L137 HydrophobicContact CG-CD1 4.15Å; R133-L137 WeakPolarHBondContact O-CB 3.48Å; R133-L137 WeakPolarHBondContact O-CD1 3.48Å; R133-L137 PolarHBondContact O-N 3.45Å; R133-E152 IonicContact CZ-OE1 3.83Å; R133-E152 IonicContact CZ-OE2 2.68Å; R133-E152 IonicContact NE-OE1 2.65Å; R133-E152 IonicContact NE-OE2 3.83Å; R133-E152 PolarHBondContact NE-OE2 3.19Å; R133-E152 VanDerWaalsContact NH2-CD 3.3Å; R133-E152 IonicContact NH2-OE1 2.63Å; R133-E152 PolarHBondContact NH2-OE1 3.25Å; R133-E152 IonicContact NH2-OE2 3.28Å; R133-E152 PolarHBondContact NH2-OE2 2.79Å; R133-A156 HydrophobicContact CG-CB 3.88Å
134	A	98.8	Very high	98.7	Very high	16 Å²	16	22.4 Å²	22.4	13%	0.132	14%	0.135	C	C	.	.	H	α-helix	trans	-61.4	-38.5	-176.6	0	0	0	0	0	113	E42 A46 A138	E42-A134 HydrophobicContact CB-CB 4.01Å; A46-A134 HydrophobicContact CB-CB 4.04Å; A46-A134 WeakPolarHBondContact CB-O 3.17Å; A134-A138 WeakPolarHBondContact O-CB 3.22Å; A134-A138 PolarHBondContact O-N 2.79Å
135	E	98.7	Very high	98.6	Very high	65 Å²	65	22.4 Å²	22.4	30%	0.304	14%	0.135	S	C	.	.	H	α-helix	trans	-62.3	-50.3	177.7	-176.5	-170.1	149.7	0	0	111.4	K132 R133 A138 K139	K132-E135 WeakPolarHBondContact CD-OE2 3.23Å; K132-E135 IonicContact NZ-OE2 3.92Å; K132-E135 PolarHBondContact NZ-OE2 3Å; K132-E135 PolarHBondContact O-N 3.5Å; R133-E135 VanDerWaalsContact C-N 3.33Å; R133-E135 PolarHBondContact O-N 2.87Å; E135-A138 PolarHBondContact O-N 3.3Å; E135-K139 HydrophobicContact CG-CD 4.41Å; E135-K139 WeakPolarHBondContact O-CG 3.44Å; E135-K139 PolarHBondContact O-N 3.06Å
136	I	98.8	Very high	98.7	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-67.4	-43.4	-177.6	-73.1	169.2	0	0	0	110.3	I128 K132 R133 A138 K139 T140 A155 T206 A237 V238 V241	I128-I136 HydrophobicContact CB-CD1 4.45Å; I128-I136 HydrophobicContact CD1-CD1 4.24Å; I128-I136 HydrophobicContact CG1-CD1 3.75Å; I128-I136 HydrophobicContact CG2-CD1 4.05Å; K132-I136 HydrophobicContact CB-CD1 4.3Å; K132-I136 PolarHBondContact O-N 3.3Å; K132-I136 VanDerWaalsContact O-N 3.13Å; R133-I136 PolarHBondContact O-N 2.95Å; I136-A138 PolarHBondContact O-N 3.41Å; I136-K139 PolarHBondContact O-N 3.44Å; I136-T140 WeakPolarHBondContact O-CB 3.23Å; I136-T140 PolarHBondContact O-N 2.75Å; I136-T140 PolarHBondContact O-OG1 3.44Å; I136-T140 VanDerWaalsContact O-OG1 3.11Å; I136-A155 HydrophobicContact CG2-CB 3.55Å; I136-T206 HydrophobicContact CG2-CG2 4.5Å; I136-A237 HydrophobicContact CG1-CB 4.1Å; I136-V238 HydrophobicContact CD1-CG2 4.46Å; I136-V241 HydrophobicContact CD1-CG2 4.25Å
137	L	98.9	Very high	98.7	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.005	11%	0.113	C	C	.	.	H	α-helix	trans	-56.9	-49.4	173.6	-95	59.4	0	0	0	111.4	F33 L43 R133 K139 T140 M141 A151 E152 A156	F33-L137 HydrophobicContact CE1-CD2 4.08Å; F33-L137 HydrophobicContact CE2-CD2 4.24Å; F33-L137 HydrophobicContact CZ-CD2 3.44Å; F33-L137 VanDerWaalsContact CZ-CD2 3.44Å; L43-L137 HydrophobicContact CD1-CB 3.73Å; R133-L137 HydrophobicContact CG-CD1 4.15Å; R133-L137 WeakPolarHBondContact O-CB 3.48Å; R133-L137 WeakPolarHBondContact O-CD1 3.48Å; R133-L137 PolarHBondContact O-N 3.45Å; L137-K139 VanDerWaalsContact C-N 3.35Å; L137-K139 PolarHBondContact O-N 2.88Å; L137-T140 PolarHBondContact O-N 2.63Å; L137-M141 VanDerWaalsContact O-CG 3.27Å; L137-M141 WeakPolarHBondContact O-CG 3.41Å; L137-M141 PolarHBondContact O-N 2.64Å; L137-A151 HydrophobicContact CB-CB 4.41Å; L137-A151 HydrophobicContact CG-CB 4.09Å; L137-E152 HydrophobicContact CD2-CB 4.17Å; L137-A156 HydrophobicContact CD1-CB 3.65Å
138	A	98.9	Very high	98.7	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-60.8	-42.6	-178.7	0	0	0	0	0	112.3	L43 A46 L47 L50 A134 E135 I136 M141 I142	L43-A138 HydrophobicContact CD1-CB 4.12Å; A46-A138 HydrophobicContact CB-CB 3.71Å; L47-A138 HydrophobicContact CD2-CB 3.75Å; L47-A138 HydrophobicContact CG-CB 3.98Å; L50-A138 HydrophobicContact CD1-CB 3.78Å; A134-A138 WeakPolarHBondContact O-CB 3.22Å; A134-A138 PolarHBondContact O-N 2.79Å; E135-A138 PolarHBondContact O-N 3.3Å; I136-A138 PolarHBondContact O-N 3.41Å; A138-M141 PolarHBondContact O-N 2.97Å; A138-I142 WeakPolarHBondContact O-CB 3.47Å; A138-I142 PolarHBondContact O-N 3.08Å
139	K	98.9	Very high	98.7	Very high	7 Å²	7	21 Å²	21	3%	0.03	13%	0.13	C	C	.	.	H	α-helix	trans	-64.5	-40.4	175.6	-72.7	179.5	173	-135.3	0	112.3	L50 E55 E135 I136 L137 G143 A234 A237	L50-K139 HydrophobicContact CD1-CG 3.69Å; E55-K139 IonicContact OE1-NZ 2.76Å; E55-K139 PolarHBondContact OE1-NZ 2.83Å; E55-K139 IonicContact OE2-NZ 2.72Å; E55-K139 PolarHBondContact OE2-NZ 3.33Å; E135-K139 HydrophobicContact CG-CD 4.41Å; E135-K139 WeakPolarHBondContact O-CG 3.44Å; E135-K139 PolarHBondContact O-N 3.06Å; I136-K139 PolarHBondContact O-N 3.44Å; L137-K139 VanDerWaalsContact C-N 3.35Å; L137-K139 PolarHBondContact O-N 2.88Å; K139-G143 WeakPolarHBondContact O-CA 3.44Å; K139-G143 PolarHBondContact O-N 3.42Å; K139-A234 HydrophobicContact CB-CB 4.15Å; K139-A237 HydrophobicContact CD-CB 3.62Å
140	T	98.9	Very high	98.7	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-66.5	-41.6	175.1	-63.8	0	0	0	0	111.6	I136 L137 Q144 K146 A151 A155 T206	I136-T140 WeakPolarHBondContact O-CB 3.23Å; I136-T140 PolarHBondContact O-N 2.75Å; I136-T140 PolarHBondContact O-OG1 3.44Å; I136-T140 VanDerWaalsContact O-OG1 3.11Å; L137-T140 PolarHBondContact O-N 2.63Å; T140-Q144 WeakPolarHBondContact O-CA 3.39Å; T140-Q144 VanDerWaalsContact O-CB 3.26Å; T140-Q144 WeakPolarHBondContact O-CB 3.33Å; T140-Q144 PolarHBondContact O-N 2.93Å; T140-K146 HydrophobicContact CG2-CB 4.25Å; T140-K146 HydrophobicContact CG2-CD 3.64Å; T140-K146 HydrophobicContact CG2-CG 3.97Å; T140-A151 HydrophobicContact CG2-CB 4.04Å; T140-A155 HydrophobicContact CG2-CB 4.19Å; T140-A155 WeakPolarHBondContact OG1-CB 3.36Å; T140-T206 PolarHBondContact OG1-OG1 3.35Å
141	M	98.9	Very high	98.7	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-62.1	-56.1	176.3	-69.6	177.1	64	0	0	111.2	L43 L47 F78 L137 A138 G145 K146 V148 A151 P373 V374 F377	L43-M141 HydrophobicContact CD1-SD 4.07Å; L43-M141 HydrophobicContact CD2-SD 3.92Å; L43-M141 HydrophobicContact CG-SD 4.38Å; L47-M141 HydrophobicContact CD1-CE 4.05Å; L47-M141 HydrophobicContact CD1-SD 4.28Å; L47-M141 HydrophobicContact CD2-CB 4.22Å; L47-M141 HydrophobicContact CD2-CE 4.4Å; L47-M141 HydrophobicContact CD2-SD 4.28Å; F78-M141 WeakPolarHBondContact CE1-O 3.38Å; L137-M141 VanDerWaalsContact O-CG 3.27Å; L137-M141 WeakPolarHBondContact O-CG 3.41Å; L137-M141 PolarHBondContact O-N 2.64Å; A138-M141 PolarHBondContact O-N 2.97Å; M141-G145 VanDerWaalsContact O-CA 3.23Å; M141-G145 WeakPolarHBondContact O-CA 3.26Å; M141-G145 PolarHBondContact O-N 3.16Å; M141-K146 WeakPolarHBondContact CA-O 3.43Å; M141-K146 WeakPolarHBondContact CB-O 3.12Å; M141-K146 VanDerWaalsContact CG-O 3.29Å; M141-K146 WeakPolarHBondContact CG-O 3.47Å; M141-K146 PolarHBondContact O-N 3.26Å; M141-V148 HydrophobicContact CE-CG2 3.69Å; M141-V148 HydrophobicContact SD-CG2 4.09Å; M141-A151 HydrophobicContact CG-CB 3.6Å; M141-A151 HydrophobicContact SD-CB 4.48Å; M141-P373 WeakPolarHBondContact CE-O 3.5Å; M141-V374 HydrophobicContact CB-CG2 4.5Å; M141-V374 HydrophobicContact CE-CG2 4.45Å; M141-F377 HydrophobicContact CE-CE1 4.17Å
142	I	98.6	Very high	98.8	Very high	4 Å²	4	12.3 Å²	12.3	2%	0.021	7%	0.066	C	C	.	.	H	α-helix	trans	-67.3	-44.5	-175.4	-72.8	168.2	0	0	0	112.1	L47 L50 S76 P77 V84 A138 V374	L47-I142 HydrophobicContact CD2-CD1 3.77Å; L47-I142 HydrophobicContact CD2-CG1 3.88Å; L50-I142 HydrophobicContact CB-CD1 3.47Å; L50-I142 VanDerWaalsContact CB-CD1 3.47Å; L50-I142 HydrophobicContact CD1-CD1 4.08Å; L50-I142 HydrophobicContact CG-CD1 4.42Å; S76-I142 WeakPolarHBondContact CA-O 3.26Å; S76-I142 WeakPolarHBondContact CB-O 3.18Å; S76-I142 PolarHBondContact OG-O 2.89Å; P77-I142 WeakPolarHBondContact CD-O 3.33Å; V84-I142 HydrophobicContact CB-CG2 4.38Å; V84-I142 HydrophobicContact CG1-CG2 3.88Å; V84-I142 HydrophobicContact CG2-CG2 3.56Å; A138-I142 WeakPolarHBondContact O-CB 3.47Å; A138-I142 PolarHBondContact O-N 3.08Å; I142-V374 HydrophobicContact CG1-CG2 3.72Å
143	G	98.7	Very high	98.8	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-82	-25.9	-173.3	0	0	0	0	0	114.5	Q74 K139 T230	Q74-G143 VanDerWaalsContact NE2-C 3.33Å; Q74-G143 VanDerWaalsContact NE2-CA 3.29Å; Q74-G143 PolarHBondContact NE2-O 3.1Å; K139-G143 WeakPolarHBondContact O-CA 3.44Å; K139-G143 PolarHBondContact O-N 3.42Å; G143-T230 VanDerWaalsContact O-O 3.14Å
144	Q	98.9	Very high	98.8	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-119.4	-4.7	-176.4	-61	153.9	-105.7	0	0	113.2	T140 K146 F203 T206 T230 A231 Y336 I385	T140-Q144 WeakPolarHBondContact O-CA 3.39Å; T140-Q144 VanDerWaalsContact O-CB 3.26Å; T140-Q144 WeakPolarHBondContact O-CB 3.33Å; T140-Q144 PolarHBondContact O-N 2.93Å; Q144-K146 HydrophobicContact CB-CG 4.47Å; Q144-F203 PolarHBondContact NE2-O 2.95Å; Q144-T206 PolarHBondContact NE2-OG1 2.88Å; Q144-T206 PolarHBondContact OE1-OG1 2.65Å; Q144-T230 WeakPolarHBondContact CG-O 3.17Å; Q144-A231 HydrophobicContact CG-CB 3.89Å; Q144-Y336 VanDerWaalsContact O-CE2 3.26Å; Q144-Y336 WeakPolarHBondContact O-CE2 3.35Å; Q144-Y336 PolarHBondContact O-OH 3.31Å; Q144-I385 HydrophobicContact CB-CD1 4.14Å; Q144-I385 HydrophobicContact CG-CD1 4.44Å
145	G	98.6	Very high	98.8	Very high	1 Å²	1	10.8 Å²	10.8	1%	0.01	6%	0.058	C	C	.	.			trans	77.6	23.5	178.1	0	0	0	0	0	114.2	M141 S382	M141-G145 VanDerWaalsContact O-CA 3.23Å; M141-G145 WeakPolarHBondContact O-CA 3.26Å; M141-G145 PolarHBondContact O-N 3.16Å; G145-S382 WeakPolarHBondContact O-CB 3.47Å
146	K	98.9	Very high	98.8	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.044	C	C	.	.			trans	-77.8	145.5	178.1	-66.5	-152.3	174.7	-174.6	0	111.7	T140 M141 Q144 Q150 A151 D154 N204 Y336 P373	T140-K146 HydrophobicContact CG2-CB 4.25Å; T140-K146 HydrophobicContact CG2-CD 3.64Å; T140-K146 HydrophobicContact CG2-CG 3.97Å; M141-K146 WeakPolarHBondContact CA-O 3.43Å; M141-K146 WeakPolarHBondContact CB-O 3.12Å; M141-K146 VanDerWaalsContact CG-O 3.29Å; M141-K146 WeakPolarHBondContact CG-O 3.47Å; M141-K146 PolarHBondContact O-N 3.26Å; Q144-K146 HydrophobicContact CB-CG 4.47Å; K146-Q150 HydrophobicContact CB-CB 4.08Å; K146-Q150 HydrophobicContact CD-CB 4.01Å; K146-Q150 WeakPolarHBondContact CD-O 3.32Å; K146-Q150 HydrophobicContact CG-CB 4.33Å; K146-A151 HydrophobicContact CB-CB 4.08Å; K146-D154 VanDerWaalsContact NZ-CG 3.31Å; K146-D154 IonicContact NZ-OD2 3.8Å; K146-D154 PolarHBondContact NZ-OD2 3.49Å; K146-N204 WeakPolarHBondContact CE-O 3.48Å; K146-N204 PolarHBondContact NZ-O 2.79Å; K146-Y336 HydrophobicContact CD-CD2 4.43Å; K146-Y336 HydrophobicContact CD-CE2 4.31Å; K146-Y336 HydrophobicContact CG-CD2 3.73Å; K146-Y336 HydrophobicContact CG-CE2 3.47Å; K146-Y336 VanDerWaalsContact CG-CE2 3.47Å; K146-Y336 HydrophobicContact CG-CG 4.43Å; K146-P373 WeakPolarHBondContact O-CB 3.19Å
147	T	98.9	Very high	98.8	Very high	10 Å²	10	7.9 Å²	7.9	6%	0.061	5%	0.046	C	C	.	.			trans	-75.8	165.9	162.7	57.9	0	0	0	0	110.2	V149 Q150 A151 P373 T379	T147-V149 PolarHBondContact O-N 3.47Å; T147-Q150 PolarHBondContact O-N 3.49Å; T147-Q150 VanDerWaalsContact OG1-CG 3.28Å; T147-Q150 WeakPolarHBondContact OG1-CG 3.32Å; T147-A151 PolarHBondContact O-N 2.85Å; T147-P373 HydrophobicContact CG2-CB 4.01Å; T147-T379 HydrophobicContact CG2-CG2 4.11Å; T147-T379 WeakPolarHBondContact CG2-O 3.34Å
148	V	98.8	Very high	98.8	Very high	15 Å²	15	9.2 Å²	9.2	9%	0.091	5%	0.052	C	C	.	.	H	α-helix	trans	-48.8	-55.3	-178.8	178.4	0	0	0	0	111.7	F33 L43 M141 Q150 A151 E152 F377	F33-V148 HydrophobicContact CB-CG1 3.78Å; F33-V148 HydrophobicContact CD1-CG1 3.73Å; F33-V148 HydrophobicContact CD2-CG1 3.51Å; F33-V148 HydrophobicContact CE1-CG1 4.2Å; F33-V148 HydrophobicContact CE2-CG1 3.98Å; F33-V148 HydrophobicContact CG-CG1 3.37Å; F33-V148 HydrophobicContact CZ-CG1 4.31Å; L43-V148 HydrophobicContact CD2-CB 4.34Å; L43-V148 HydrophobicContact CD2-CG1 3.71Å; L43-V148 HydrophobicContact CD2-CG2 3.91Å; M141-V148 HydrophobicContact CE-CG2 3.69Å; M141-V148 HydrophobicContact SD-CG2 4.09Å; V148-Q150 VanDerWaalsContact C-N 3.31Å; V148-Q150 PolarHBondContact O-N 3.49Å; V148-A151 PolarHBondContact O-N 3Å; V148-E152 VanDerWaalsContact O-CB 3.28Å; V148-E152 WeakPolarHBondContact O-CB 3.44Å; V148-E152 PolarHBondContact O-N 3.38Å; V148-F377 HydrophobicContact CG2-CD1 3.91Å; V148-F377 HydrophobicContact CG2-CD2 3.71Å; V148-F377 HydrophobicContact CG2-CE1 3.84Å; V148-F377 HydrophobicContact CG2-CE2 3.63Å; V148-F377 HydrophobicContact CG2-CG 3.85Å; V148-F377 HydrophobicContact CG2-CZ 3.71Å
149	V	98.7	Very high	98.8	Very high	75 Å²	75	9.2 Å²	9.2	46%	0.455	5%	0.052	S	C	.	.	H	α-helix	trans	-63.8	-35.9	-178.7	68.1	0	0	0	0	112.3	T147 E152 I153	T147-V149 PolarHBondContact O-N 3.47Å; V149-E152 PolarHBondContact O-N 3.44Å; V149-I153 HydrophobicContact CG2-CG2 4.24Å; V149-I153 VanDerWaalsContact O-CG1 3.3Å; V149-I153 WeakPolarHBondContact O-CG1 3.43Å; V149-I153 WeakPolarHBondContact O-CG2 3.38Å; V149-I153 PolarHBondContact O-N 2.92Å
150	Q	98.9	Very high	98.8	Very high	2 Å²	2	8.9 Å²	8.9	1%	0.009	5%	0.05	C	C	.	.	H	α-helix	trans	-72.4	-31.3	180	-64.7	-62	-48.4	0	0	112.2	K146 T147 V148 D154 E335	K146-Q150 HydrophobicContact CB-CB 4.08Å; K146-Q150 HydrophobicContact CD-CB 4.01Å; K146-Q150 WeakPolarHBondContact CD-O 3.32Å; K146-Q150 HydrophobicContact CG-CB 4.33Å; T147-Q150 PolarHBondContact O-N 3.49Å; T147-Q150 VanDerWaalsContact OG1-CG 3.28Å; T147-Q150 WeakPolarHBondContact OG1-CG 3.32Å; V148-Q150 VanDerWaalsContact C-N 3.31Å; V148-Q150 PolarHBondContact O-N 3.49Å; Q150-D154 WeakPolarHBondContact O-CB 3.33Å; Q150-E335 PolarHBondContact NE2-OE2 3.03Å
151	A	98.9	Very high	98.8	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-75.3	-40	172.3	0	0	0	0	0	111.5	L137 T140 M141 K146 T147 V148 D154 A155	L137-A151 HydrophobicContact CB-CB 4.41Å; L137-A151 HydrophobicContact CG-CB 4.09Å; T140-A151 HydrophobicContact CG2-CB 4.04Å; M141-A151 HydrophobicContact CG-CB 3.6Å; M141-A151 HydrophobicContact SD-CB 4.48Å; K146-A151 HydrophobicContact CB-CB 4.08Å; T147-A151 PolarHBondContact O-N 2.85Å; V148-A151 PolarHBondContact O-N 3Å; A151-D154 PolarHBondContact O-N 2.99Å; A151-A155 WeakPolarHBondContact O-CB 3.47Å; A151-A155 PolarHBondContact O-N 3.48Å
152	E	98.9	Very high	98.8	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.053	C	C	.	.	I	π-helix	trans	-61.3	-50.9	178.2	167.3	64.4	-178.7	0	0	112.6	I30 L31 F33 R133 L137 V148 V149 D154 A156 A157	I30-E152 HydrophobicContact CG2-CG 3.86Å; L31-E152 PolarHBondContact N-OE1 3.25Å; F33-E152 HydrophobicContact CE2-CB 3.87Å; F33-E152 HydrophobicContact CE2-CG 3.76Å; R133-E152 IonicContact CZ-OE1 3.83Å; R133-E152 IonicContact CZ-OE2 2.68Å; R133-E152 IonicContact NE-OE1 2.65Å; R133-E152 IonicContact NE-OE2 3.83Å; R133-E152 PolarHBondContact NE-OE2 3.19Å; R133-E152 VanDerWaalsContact NH2-CD 3.3Å; R133-E152 IonicContact NH2-OE1 2.63Å; R133-E152 PolarHBondContact NH2-OE1 3.25Å; R133-E152 IonicContact NH2-OE2 3.28Å; R133-E152 PolarHBondContact NH2-OE2 2.79Å; L137-E152 HydrophobicContact CD2-CB 4.17Å; V148-E152 VanDerWaalsContact O-CB 3.28Å; V148-E152 WeakPolarHBondContact O-CB 3.44Å; V148-E152 PolarHBondContact O-N 3.38Å; V149-E152 PolarHBondContact O-N 3.44Å; E152-D154 PolarHBondContact O-N 2.6Å; E152-A156 WeakPolarHBondContact O-CB 3.32Å; E152-A156 PolarHBondContact O-N 3.38Å; E152-A157 PolarHBondContact O-N 2.76Å
153	I	98.8	Very high	98.9	Very high	47 Å²	47	9.4 Å²	9.4	24%	0.241	5%	0.052	C	C	.	.	I	π-helix	trans	-68.8	-23.5	-178.2	68	-175.1	0	0	0	112.6	I30 V149 E158	I30-I153 HydrophobicContact CD1-CG2 4.04Å; I30-I153 HydrophobicContact CG1-CG2 4.42Å; I30-I153 HydrophobicContact CG2-CG2 4.14Å; V149-I153 HydrophobicContact CG2-CG2 4.24Å; V149-I153 VanDerWaalsContact O-CG1 3.3Å; V149-I153 WeakPolarHBondContact O-CG1 3.43Å; V149-I153 WeakPolarHBondContact O-CG2 3.38Å; V149-I153 PolarHBondContact O-N 2.92Å; I153-E158 WeakPolarHBondContact O-CB 3.27Å; I153-E158 PolarHBondContact O-N 2.85Å; I153-E158 VanDerWaalsContact O-N 3.07Å
154	D	98.9	Very high	98.9	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.059	C	C	.	.	I	π-helix	trans	-92.9	-76.6	179.6	166	27.7	0	0	0	111.2	K146 Q150 A151 E152 A156 E158 L159 F205 T206 A207	K146-D154 VanDerWaalsContact NZ-CG 3.31Å; K146-D154 IonicContact NZ-OD2 3.8Å; K146-D154 PolarHBondContact NZ-OD2 3.49Å; Q150-D154 WeakPolarHBondContact O-CB 3.33Å; A151-D154 PolarHBondContact O-N 2.99Å; E152-D154 PolarHBondContact O-N 2.6Å; D154-A156 VanDerWaalsContact C-N 3.26Å; D154-A156 PolarHBondContact O-N 3.42Å; D154-E158 PolarHBondContact O-N 2.84Å; D154-L159 PolarHBondContact O-N 3.41Å; D154-L159 VanDerWaalsContact O-N 3.11Å; D154-F205 HydrophobicContact CB-CD1 3.73Å; D154-F205 HydrophobicContact CB-CE1 4.18Å; D154-F205 WeakPolarHBondContact OD1-CA 3.44Å; D154-F205 WeakPolarHBondContact OD1-CB 3.48Å; D154-F205 WeakPolarHBondContact OD1-CD1 3.12Å; D154-F205 WeakPolarHBondContact OD2-CA 3.47Å; D154-T206 PolarHBondContact OD1-N 2.78Å; D154-T206 PolarHBondContact OD2-N 2.96Å; D154-A207 WeakPolarHBondContact O-CB 3.22Å; D154-A207 WeakPolarHBondContact OD1-CB 3.15Å; D154-A207 PolarHBondContact OD1-N 3.48Å
155	A	98.9	Very high	98.9	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.062	C	C	.	.	I	π-helix	trans	-75	-18.3	-163.5	0	0	0	0	0	112.9	I136 T140 A151 T206	I136-A155 HydrophobicContact CG2-CB 3.55Å; T140-A155 HydrophobicContact CG2-CB 4.19Å; T140-A155 WeakPolarHBondContact OG1-CB 3.36Å; A151-A155 WeakPolarHBondContact O-CB 3.47Å; A151-A155 PolarHBondContact O-N 3.48Å; A155-T206 HydrophobicContact CB-CG2 4.01Å
156	A	98.8	Very high	98.9	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.062	C	C	.	.	I	π-helix	trans	-98.5	-80.5	164.1	0	0	0	0	0	110.9	R133 L137 E152 D154 E158 L159 I160	R133-A156 HydrophobicContact CG-CB 3.88Å; L137-A156 HydrophobicContact CD1-CB 3.65Å; E152-A156 WeakPolarHBondContact O-CB 3.32Å; E152-A156 PolarHBondContact O-N 3.38Å; D154-A156 VanDerWaalsContact C-N 3.26Å; D154-A156 PolarHBondContact O-N 3.42Å; A156-E158 PolarHBondContact O-N 3.38Å; A156-L159 PolarHBondContact O-N 3.44Å; A156-I160 HydrophobicContact CB-CD1 4.12Å; A156-I160 VanDerWaalsContact O-CB 3.25Å; A156-I160 WeakPolarHBondContact O-CB 3.37Å; A156-I160 WeakPolarHBondContact O-CD1 3.38Å; A156-I160 WeakPolarHBondContact O-CG1 3.2Å; A156-I160 PolarHBondContact O-N 3.48Å
157	A	98.8	Very high	98.9	Very high	4 Å²	4	11.8 Å²	11.8	3%	0.033	6%	0.062	C	C	.	.	I	π-helix	trans	-60.4	-52.6	-162.2	0	0	0	0	0	113.8	E28 I30 E152 L159 I160 D161	E28-A157 HydrophobicContact CB-CB 4.3Å; E28-A157 HydrophobicContact CG-CB 4.48Å; I30-A157 HydrophobicContact CD1-CB 3.17Å; E152-A157 PolarHBondContact O-N 2.76Å; A157-L159 PolarHBondContact O-N 3.14Å; A157-I160 PolarHBondContact O-N 3.37Å; A157-D161 VanDerWaalsContact O-CB 3.29Å; A157-D161 WeakPolarHBondContact O-CB 3.3Å; A157-D161 PolarHBondContact O-N 2.84Å
158	E	98.9	Very high	98.8	Very high	29 Å²	29	13.1 Å²	13.1	14%	0.136	7%	0.067	C	C	.	.	I	π-helix	trans	-64.3	-41.1	179.8	-174.9	-179.6	-176.1	0	0	112.1	I153 D154 A156 D161 F162 F205 A207 V508	I153-E158 WeakPolarHBondContact O-CB 3.27Å; I153-E158 PolarHBondContact O-N 2.85Å; I153-E158 VanDerWaalsContact O-N 3.07Å; D154-E158 PolarHBondContact O-N 2.84Å; A156-E158 PolarHBondContact O-N 3.38Å; E158-D161 PolarHBondContact O-N 3.42Å; E158-F162 HydrophobicContact CG-CD2 3.87Å; E158-F162 HydrophobicContact CG-CE2 3.46Å; E158-F162 VanDerWaalsContact CG-CE2 3.46Å; E158-F162 HydrophobicContact CG-CZ 4.22Å; E158-F162 WeakPolarHBondContact O-CD2 3.39Å; E158-F162 PolarHBondContact O-N 3.05Å; E158-F162 WeakPolarHBondContact OE1-CE2 3.43Å; E158-F205 WeakPolarHBondContact OE2-CD1 3.38Å; E158-F205 WeakPolarHBondContact OE2-CE1 3.47Å; E158-A207 HydrophobicContact CB-CB 3.89Å; E158-A207 HydrophobicContact CG-CB 3.77Å; E158-V508 HydrophobicContact CG-CG2 4.1Å
159	L	98.9	Very high	98.8	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-64.9	-46.5	177	-179.8	56	0	0	0	112.5	I128 D154 A156 A157 D161 F162 F163 A207 V238	I128-L159 HydrophobicContact CD1-CD2 3.8Å; I128-L159 HydrophobicContact CD1-CG 4.16Å; D154-L159 PolarHBondContact O-N 3.41Å; D154-L159 VanDerWaalsContact O-N 3.11Å; A156-L159 PolarHBondContact O-N 3.44Å; A157-L159 PolarHBondContact O-N 3.14Å; L159-D161 VanDerWaalsContact C-N 3.28Å; L159-D161 PolarHBondContact O-N 2.76Å; L159-F162 PolarHBondContact O-N 2.96Å; L159-F163 HydrophobicContact CD1-CD1 4.2Å; L159-F163 HydrophobicContact CD1-CD2 4.46Å; L159-F163 HydrophobicContact CD1-CE1 3.65Å; L159-F163 HydrophobicContact CD1-CE2 3.94Å; L159-F163 HydrophobicContact CD1-CZ 3.51Å; L159-F163 HydrophobicContact CG-CE2 4.19Å; L159-F163 HydrophobicContact CG-CZ 4.26Å; L159-F163 WeakPolarHBondContact O-CG 3.44Å; L159-F163 PolarHBondContact O-N 2.71Å; L159-A207 HydrophobicContact CB-CB 3.88Å; L159-V238 HydrophobicContact CD1-CG1 4.47Å; L159-V238 HydrophobicContact CD2-CB 4.44Å; L159-V238 HydrophobicContact CD2-CG1 4.01Å; L159-V238 HydrophobicContact CD2-CG2 3.52Å
160	I	98.9	Very high	98.8	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-59.1	-44.5	176.2	-71.8	163.8	0	0	0	109.6	E28 A125 I128 A156 A157 F163 R164	E28-I160 HydrophobicContact CB-CB 4.22Å; E28-I160 HydrophobicContact CB-CG2 3.81Å; E28-I160 HydrophobicContact CG-CB 4.38Å; E28-I160 HydrophobicContact CG-CD1 3.76Å; E28-I160 HydrophobicContact CG-CG2 4.07Å; A125-I160 HydrophobicContact CB-CG2 4.1Å; I128-I160 HydrophobicContact CB-CD1 4.28Å; I128-I160 HydrophobicContact CB-CG1 3.96Å; I128-I160 HydrophobicContact CG2-CD1 3.9Å; I128-I160 HydrophobicContact CG2-CG1 3.79Å; A156-I160 HydrophobicContact CB-CD1 4.12Å; A156-I160 VanDerWaalsContact O-CB 3.25Å; A156-I160 WeakPolarHBondContact O-CB 3.37Å; A156-I160 WeakPolarHBondContact O-CD1 3.38Å; A156-I160 WeakPolarHBondContact O-CG1 3.2Å; A156-I160 PolarHBondContact O-N 3.48Å; A157-I160 PolarHBondContact O-N 3.37Å; I160-F163 PolarHBondContact O-N 3.4Å; I160-R164 HydrophobicContact CG2-CG 4.5Å; I160-R164 VanDerWaalsContact CG2-CZ 3.48Å; I160-R164 WeakPolarHBondContact O-CG 3.24Å; I160-R164 PolarHBondContact O-N 2.91Å
161	D	98.9	Very high	98.7	Very high	5 Å²	5	10.4 Å²	10.4	3%	0.027	5%	0.049	C	C	.	.	H	α-helix	trans	-67.7	-42.9	179.7	-73.9	-9.8	0	0	0	111.9	N27 E28 A157 E158 L159 F163 R164 F165 V508	N27-D161 VanDerWaalsContact CA-OD1 3.31Å; N27-D161 WeakPolarHBondContact CA-OD1 3.28Å; N27-D161 WeakPolarHBondContact CB-OD2 3.37Å; N27-D161 PolarHBondContact ND2-OD2 3.26Å; E28-D161 PolarHBondContact N-OD1 3.37Å; A157-D161 VanDerWaalsContact O-CB 3.29Å; A157-D161 WeakPolarHBondContact O-CB 3.3Å; A157-D161 PolarHBondContact O-N 2.84Å; E158-D161 PolarHBondContact O-N 3.42Å; L159-D161 VanDerWaalsContact C-N 3.28Å; L159-D161 PolarHBondContact O-N 2.76Å; D161-F163 VanDerWaalsContact C-N 3.27Å; D161-F163 PolarHBondContact O-N 2.78Å; D161-R164 PolarHBondContact O-N 3.22Å; D161-F165 HydrophobicContact CB-CD2 4.05Å; D161-F165 HydrophobicContact CB-CE2 4.39Å; D161-F165 VanDerWaalsContact O-CB 3.32Å; D161-F165 WeakPolarHBondContact O-CB 3.29Å; D161-F165 WeakPolarHBondContact O-CD2 3.3Å; D161-F165 PolarHBondContact O-N 3.01Å; D161-V508 HydrophobicContact CB-CB 3.63Å; D161-V508 HydrophobicContact CB-CG1 3.9Å; D161-V508 HydrophobicContact CB-CG2 4.02Å
162	F	98.9	Very high	98.6	Very high	8 Å²	8	13.9 Å²	13.9	4%	0.035	7%	0.066	C	C	.	.	H	α-helix	trans	-55.2	-46.2	172.7	-82.2	-52.5	0	0	0	111.2	E158 L159 N166 A207 N211 V508 P525	E158-F162 HydrophobicContact CG-CD2 3.87Å; E158-F162 HydrophobicContact CG-CE2 3.46Å; E158-F162 VanDerWaalsContact CG-CE2 3.46Å; E158-F162 HydrophobicContact CG-CZ 4.22Å; E158-F162 WeakPolarHBondContact O-CD2 3.39Å; E158-F162 PolarHBondContact O-N 3.05Å; E158-F162 WeakPolarHBondContact OE1-CE2 3.43Å; L159-F162 PolarHBondContact O-N 2.96Å; F162-N166 WeakPolarHBondContact O-CB 3.43Å; F162-N166 VanDerWaalsContact O-CG 3.24Å; F162-N166 PolarHBondContact O-N 2.98Å; F162-N166 PolarHBondContact O-ND2 3.36Å; F162-A207 HydrophobicContact CD2-CB 4.16Å; F162-A207 HydrophobicContact CE2-CB 4.21Å; F162-N211 HydrophobicContact CB-CB 4.11Å; F162-N211 HydrophobicContact CD1-CB 4.12Å; F162-N211 HydrophobicContact CD2-CB 3.67Å; F162-N211 HydrophobicContact CE1-CB 4.47Å; F162-N211 WeakPolarHBondContact CE1-ND2 3.41Å; F162-N211 HydrophobicContact CE2-CB 4.03Å; F162-N211 HydrophobicContact CG-CB 3.72Å; F162-N211 HydrophobicContact CZ-CB 4.44Å; F162-V508 HydrophobicContact CD1-CG1 4.43Å; F162-V508 HydrophobicContact CD1-CG2 3.83Å; F162-V508 HydrophobicContact CD2-CG2 4.31Å; F162-V508 HydrophobicContact CE1-CG2 3.75Å; F162-V508 HydrophobicContact CE2-CG2 4.26Å; F162-V508 HydrophobicContact CG-CG2 4.1Å; F162-V508 HydrophobicContact CZ-CG2 3.97Å; F162-P525 HydrophobicContact CE1-CB 4.19Å
163	F	98.9	Very high	98.5	Very high	1 Å²	1	14.2 Å²	14.2	0%	0.004	7%	0.067	C	C	.	.	H	α-helix	trans	-63.8	-45.8	179.3	-73.8	-3.2	0	0	0	112.5	L121 A124 A125 I128 L159 I160 D161 A167 V238 L242	L121-F163 HydrophobicContact CB-CB 4.06Å; L121-F163 HydrophobicContact CB-CG 4.34Å; L121-F163 HydrophobicContact CD1-CD1 4.37Å; L121-F163 HydrophobicContact CD2-CD1 3.83Å; L121-F163 HydrophobicContact CD2-CD2 4.43Å; L121-F163 HydrophobicContact CD2-CE1 3.95Å; L121-F163 HydrophobicContact CD2-CG 4.07Å; L121-F163 HydrophobicContact CD2-CZ 4.3Å; A124-F163 HydrophobicContact CB-CD2 3.85Å; A124-F163 HydrophobicContact CB-CE2 3.86Å; A125-F163 HydrophobicContact CB-CB 3.97Å; I128-F163 HydrophobicContact CD1-CD2 4.25Å; I128-F163 HydrophobicContact CD1-CE2 3.83Å; L159-F163 HydrophobicContact CD1-CD1 4.2Å; L159-F163 HydrophobicContact CD1-CD2 4.46Å; L159-F163 HydrophobicContact CD1-CE1 3.65Å; L159-F163 HydrophobicContact CD1-CE2 3.94Å; L159-F163 HydrophobicContact CD1-CZ 3.51Å; L159-F163 HydrophobicContact CG-CE2 4.19Å; L159-F163 HydrophobicContact CG-CZ 4.26Å; L159-F163 WeakPolarHBondContact O-CG 3.44Å; L159-F163 PolarHBondContact O-N 2.71Å; I160-F163 PolarHBondContact O-N 3.4Å; D161-F163 VanDerWaalsContact C-N 3.27Å; D161-F163 PolarHBondContact O-N 2.78Å; F163-A167 WeakPolarHBondContact O-CB 3.48Å; F163-A167 PolarHBondContact O-N 3.36Å; F163-V238 HydrophobicContact CZ-CG1 4.23Å; F163-L242 HydrophobicContact CE2-CD2 3.98Å; F163-L242 HydrophobicContact CZ-CD1 4.34Å; F163-L242 HydrophobicContact CZ-CD2 3.81Å; F163-L242 HydrophobicContact CZ-CG 4.3Å
164	R	98.8	Very high	98.2	Very high	35 Å²	35	15.4 Å²	15.4	13%	0.132	7%	0.072	C	C	.	.	H	α-helix	trans	-69.5	-50.7	-179.8	-72.2	179.3	175.7	153.5	4.2	112.6	V25 E28 F122 A125 D126 I160 D161 K168	V25-R164 HydrophobicContact CB-CB 4.19Å; V25-R164 HydrophobicContact CG1-CB 4.16Å; E28-R164 IonicContact OE2-CZ 3.51Å; E28-R164 IonicContact OE2-NH1 2.75Å; E28-R164 PolarHBondContact OE2-NH1 2.94Å; E28-R164 IonicContact OE2-NH2 3.3Å; F122-R164 HydrophobicContact CD1-CG 4.29Å; F122-R164 HydrophobicContact CE1-CB 4.39Å; F122-R164 WeakPolarHBondContact CE1-O 3.41Å; A125-R164 HydrophobicContact CB-CG 3.72Å; D126-R164 IonicContact OD1-CZ 3.62Å; D126-R164 IonicContact OD1-NE 2.65Å; D126-R164 IonicContact OD1-NH2 3.49Å; D126-R164 PolarHBondContact OD1-NH2 3.27Å; D126-R164 VanDerWaalsContact OD1-NH2 3.12Å; I160-R164 HydrophobicContact CG2-CG 4.5Å; I160-R164 VanDerWaalsContact CG2-CZ 3.48Å; I160-R164 WeakPolarHBondContact O-CG 3.24Å; I160-R164 PolarHBondContact O-N 2.91Å; D161-R164 PolarHBondContact O-N 3.22Å; R164-K168 WeakPolarHBondContact O-CB 3.42Å; R164-K168 PolarHBondContact O-N 2.92Å
165	F	98.8	Very high	98	Very high	17 Å²	17	19.2 Å²	19.2	8%	0.075	10%	0.103	C	C	.	.	H	α-helix	trans	-72.5	-41.1	-175	-78.6	-86.7	0	0	0	112.1	V25 D161 A167 K168 H169 V508 A509	V25-F165 HydrophobicContact CG2-CD1 3.57Å; V25-F165 HydrophobicContact CG2-CD2 4.1Å; V25-F165 HydrophobicContact CG2-CE1 3.51Å; V25-F165 HydrophobicContact CG2-CE2 4.04Å; V25-F165 HydrophobicContact CG2-CG 3.89Å; V25-F165 HydrophobicContact CG2-CZ 3.77Å; D161-F165 HydrophobicContact CB-CD2 4.05Å; D161-F165 HydrophobicContact CB-CE2 4.39Å; D161-F165 VanDerWaalsContact O-CB 3.32Å; D161-F165 WeakPolarHBondContact O-CB 3.29Å; D161-F165 WeakPolarHBondContact O-CD2 3.3Å; D161-F165 PolarHBondContact O-N 3.01Å; F165-A167 VanDerWaalsContact C-N 3.33Å; F165-A167 PolarHBondContact O-N 3.15Å; F165-K168 WeakPolarHBondContact O-CB 3.33Å; F165-K168 PolarHBondContact O-N 3.13Å; F165-H169 WeakPolarHBondContact O-CB 3.14Å; F165-H169 PolarHBondContact O-CD2 2.97Å; F165-H169 PolarHBondContact O-N 2.99Å; F165-V508 HydrophobicContact CB-CG1 3.89Å; F165-V508 HydrophobicContact CD2-CG1 3.93Å; F165-V508 HydrophobicContact CG-CG1 4.08Å; F165-A509 HydrophobicContact CD1-CB 3.28Å; F165-A509 HydrophobicContact CD2-CB 4.27Å; F165-A509 HydrophobicContact CE1-CB 3.28Å; F165-A509 HydrophobicContact CE2-CB 4.28Å; F165-A509 HydrophobicContact CG-CB 3.8Å; F165-A509 HydrophobicContact CZ-CB 3.8Å
166	N	98.8	Very high	97.8	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-65.2	-39.2	175.8	-67.2	-35.9	0	0	0	111.3	F162 H169 A170 N211 T215 L218 V531	F162-N166 WeakPolarHBondContact O-CB 3.43Å; F162-N166 VanDerWaalsContact O-CG 3.24Å; F162-N166 PolarHBondContact O-N 2.98Å; F162-N166 PolarHBondContact O-ND2 3.36Å; N166-H169 PolarHBondContact O-N 3.31Å; N166-A170 WeakPolarHBondContact O-CB 3.36Å; N166-A170 PolarHBondContact O-N 3.15Å; N166-N211 PolarHBondContact ND2-OD1 3.29Å; N166-T215 HydrophobicContact CB-CG2 4.5Å; N166-T215 PolarHBondContact ND2-OG1 3.43Å; N166-L218 VanDerWaalsContact C-CD2 3.45Å; N166-L218 HydrophobicContact CB-CD2 3.96Å; N166-L218 VanDerWaalsContact O-CD2 3.3Å; N166-L218 WeakPolarHBondContact O-CD2 3.45Å; N166-V531 HydrophobicContact CB-CG1 4.36Å
167	A	98.6	Very high	97.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-60.3	-44.7	173.7	0	0	0	0	0	112	A118 L121 F122 F163 F165 A170 V171	A118-A167 HydrophobicContact CB-CB 3.93Å; L121-A167 HydrophobicContact CB-CB 4.37Å; F122-A167 HydrophobicContact CD1-CB 4.13Å; F122-A167 HydrophobicContact CD2-CB 4.2Å; F122-A167 HydrophobicContact CE1-CB 3.61Å; F122-A167 HydrophobicContact CE2-CB 3.69Å; F122-A167 HydrophobicContact CG-CB 4.38Å; F122-A167 HydrophobicContact CZ-CB 3.34Å; F163-A167 WeakPolarHBondContact O-CB 3.48Å; F163-A167 PolarHBondContact O-N 3.36Å; F165-A167 VanDerWaalsContact C-N 3.33Å; F165-A167 PolarHBondContact O-N 3.15Å; A167-A170 PolarHBondContact O-N 3.35Å; A167-V171 WeakPolarHBondContact O-CG2 3.06Å; A167-V171 PolarHBondContact O-N 2.99Å; A167-V171 VanDerWaalsContact O-N 3.12Å
168	K	98.3	Very high	97.6	Very high	38 Å²	38	30.1 Å²	30.1	17%	0.165	16%	0.157	C	C	.	.	H	α-helix	trans	-57.4	-52.7	171.3	168.9	-179.9	172.1	70.8	0	111.3	V23 V25 R164 F165 A170 V171 E172	V23-K168 HydrophobicContact CB-CB 4.45Å; V23-K168 HydrophobicContact CB-CG 4.32Å; V23-K168 HydrophobicContact CG1-CB 4.18Å; V23-K168 WeakPolarHBondContact O-CD 3.5Å; V23-K168 PolarHBondContact O-NZ 3.42Å; V25-K168 HydrophobicContact CG1-CB 4.23Å; V25-K168 HydrophobicContact CG1-CD 4.43Å; V25-K168 HydrophobicContact CG2-CB 4.3Å; V25-K168 HydrophobicContact CG2-CD 3.53Å; R164-K168 WeakPolarHBondContact O-CB 3.42Å; R164-K168 PolarHBondContact O-N 2.92Å; F165-K168 WeakPolarHBondContact O-CB 3.33Å; F165-K168 PolarHBondContact O-N 3.13Å; K168-A170 VanDerWaalsContact C-N 3.31Å; K168-A170 PolarHBondContact O-N 3.31Å; K168-V171 PolarHBondContact O-N 3.09Å; K168-V171 VanDerWaalsContact O-N 3.16Å; K168-E172 WeakPolarHBondContact CE-OE1 3.27Å; K168-E172 HydrophobicContact CG-CG 4.31Å; K168-E172 WeakPolarHBondContact CG-OE2 3.43Å; K168-E172 IonicContact NZ-OE1 3.98Å; K168-E172 PolarHBondContact NZ-OE1 3.49Å; K168-E172 IonicContact NZ-OE2 2.76Å; K168-E172 WeakPolarHBondContact O-CB 3.41Å; K168-E172 WeakPolarHBondContact O-CG 3.24Å; K168-E172 PolarHBondContact O-N 3.45Å
169	H	98.4	Very high	97.6	Very high	19 Å²	19	36.1 Å²	36.1	9%	0.088	19%	0.189	C	C	.	.	H	α-helix	trans	-60.9	-38.7	-177.5	-63.4	-34	0	0	0	112.4	F165 N166 L173 V531	F165-H169 WeakPolarHBondContact O-CB 3.14Å; F165-H169 PolarHBondContact O-CD2 2.97Å; F165-H169 PolarHBondContact O-N 2.99Å; N166-H169 PolarHBondContact O-N 3.31Å; H169-L173 VanDerWaalsContact O-CB 3.23Å; H169-L173 WeakPolarHBondContact O-CB 3.16Å; H169-L173 PolarHBondContact O-N 3.43Å; H169-V531 HydrophobicContact CB-CG1 4.36Å; H169-V531 HydrophobicContact CB-CG2 4.29Å
170	A	98	Very high	97.5	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.008	21%	0.207	C	C	.	.	H	α-helix	trans	-65.1	-42.7	175.5	0	0	0	0	0	112.4	V114 N166 A167 K168 L173 L218 M219	V114-A170 HydrophobicContact CG1-CB 3.82Å; N166-A170 WeakPolarHBondContact O-CB 3.36Å; N166-A170 PolarHBondContact O-N 3.15Å; A167-A170 PolarHBondContact O-N 3.35Å; K168-A170 VanDerWaalsContact C-N 3.31Å; K168-A170 PolarHBondContact O-N 3.31Å; A170-L173 PolarHBondContact O-N 2.99Å; A170-L218 HydrophobicContact CB-CD1 4.22Å; A170-L218 HydrophobicContact CB-CD2 3.7Å; A170-L218 HydrophobicContact CB-CG 3.9Å; A170-M219 HydrophobicContact CB-SD 3.54Å; A170-M219 VanDerWaalsContact CB-SD 3.54Å
171	V	97.2	Very high	97.5	Very high	15 Å²	15	42.5 Å²	42.5	9%	0.091	23%	0.23	C	C	.	.	H	α-helix	trans	-67.5	-41.6	177.5	172.7	0	0	0	0	111.3	V23 V114 R115 A118 A167 K168 L173 E174	V23-V171 HydrophobicContact CG2-CB 4.28Å; V23-V171 HydrophobicContact CG2-CG1 3.82Å; V114-V171 HydrophobicContact CG1-CG2 4.28Å; R115-V171 HydrophobicContact CG-CG1 4.15Å; R115-V171 HydrophobicContact CG-CG2 4.06Å; A118-V171 HydrophobicContact CB-CG2 3.85Å; A167-V171 WeakPolarHBondContact O-CG2 3.06Å; A167-V171 PolarHBondContact O-N 2.99Å; A167-V171 VanDerWaalsContact O-N 3.12Å; K168-V171 PolarHBondContact O-N 3.09Å; K168-V171 VanDerWaalsContact O-N 3.16Å; V171-L173 VanDerWaalsContact C-N 3.32Å; V171-E174 PolarHBondContact O-N 2.99Å
172	E	96.3	Very high	97.3	Very high	73 Å²	73	51.8 Å²	51.8	34%	0.341	27%	0.27	S	S	.	.	H	α-helix	trans	-68.5	-32.1	177.7	-71.3	179.9	153.9	0	0	112.5	K168 E174 A175	K168-E172 WeakPolarHBondContact CE-OE1 3.27Å; K168-E172 HydrophobicContact CG-CG 4.31Å; K168-E172 WeakPolarHBondContact CG-OE2 3.43Å; K168-E172 IonicContact NZ-OE1 3.98Å; K168-E172 PolarHBondContact NZ-OE1 3.49Å; K168-E172 IonicContact NZ-OE2 2.76Å; K168-E172 WeakPolarHBondContact O-CB 3.41Å; K168-E172 WeakPolarHBondContact O-CG 3.24Å; K168-E172 PolarHBondContact O-N 3.45Å; E172-E174 PolarHBondContact O-N 3.18Å; E172-A175 WeakPolarHBondContact O-CB 3.44Å; E172-A175 PolarHBondContact O-N 3.42Å
173	L	96.7	Very high	97.2	Very high	6 Å²	6	55.7 Å²	55.7	3%	0.031	29%	0.289	C	S	.	.	H	α-helix	trans	-59.5	-34.9	175.8	-179.9	61.2	0	0	0	112	H169 A170 V171 A175 Q176 Y190 M219 V531 L532 T535	H169-L173 VanDerWaalsContact O-CB 3.23Å; H169-L173 WeakPolarHBondContact O-CB 3.16Å; H169-L173 PolarHBondContact O-N 3.43Å; A170-L173 PolarHBondContact O-N 2.99Å; V171-L173 VanDerWaalsContact C-N 3.32Å; L173-A175 PolarHBondContact O-N 2.87Å; L173-A175 VanDerWaalsContact O-N 3.13Å; L173-Q176 HydrophobicContact CD1-CG 4.39Å; L173-Q176 WeakPolarHBondContact O-CB 3.22Å; L173-Q176 PolarHBondContact O-N 3.3Å; L173-Y190 HydrophobicContact CD1-CD1 4.26Å; L173-Y190 HydrophobicContact CD1-CE1 3.58Å; L173-Y190 HydrophobicContact CD1-CE2 4.34Å; L173-Y190 HydrophobicContact CD2-CD1 3.71Å; L173-Y190 HydrophobicContact CD2-CE1 3.9Å; L173-Y190 HydrophobicContact CD2-CG 4.14Å; L173-Y190 HydrophobicContact CG-CD1 3.83Å; L173-Y190 HydrophobicContact CG-CD2 4.18Å; L173-Y190 HydrophobicContact CG-CE1 3.63Å; L173-Y190 HydrophobicContact CG-CE2 4.02Å; L173-Y190 HydrophobicContact CG-CG 4.09Å; L173-Y190 WeakPolarHBondContact O-CE2 3.35Å; L173-M219 HydrophobicContact CD2-CE 3.97Å; L173-V531 HydrophobicContact CD2-CG2 4.17Å; L173-L532 HydrophobicContact CD1-CD2 3.69Å; L173-L532 HydrophobicContact CD2-CD2 3.76Å; L173-L532 HydrophobicContact CG-CD2 4.39Å; L173-T535 HydrophobicContact CD2-CG2 4.26Å
174	E	94.4	Very high	97.2	Very high	73 Å²	73	56 Å²	56	34%	0.341	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-23.2	176.2	-67.7	-165.3	118.1	0	0	113.2	V114 V171 E172 Q176 Q177	V114-E174 HydrophobicContact CB-CG 4.15Å; V114-E174 VanDerWaalsContact CG2-CD 3.46Å; V114-E174 HydrophobicContact CG2-CG 3.85Å; V114-E174 VanDerWaalsContact CG2-OE1 3.28Å; V114-E174 WeakPolarHBondContact CG2-OE1 3.21Å; V171-E174 PolarHBondContact O-N 2.99Å; E172-E174 PolarHBondContact O-N 3.18Å; E174-Q176 VanDerWaalsContact C-N 3.3Å; E174-Q177 PolarHBondContact O-NE2 3.29Å
175	A	92.6	Very high	97.2	Very high	79 Å²	79	57.1 Å²	57.1	65%	0.653	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-13.4	177.2	0	0	0	0	0	113.3	E172 L173 Q177	E172-A175 WeakPolarHBondContact O-CB 3.44Å; E172-A175 PolarHBondContact O-N 3.42Å; L173-A175 PolarHBondContact O-N 2.87Å; L173-A175 VanDerWaalsContact O-N 3.13Å; A175-Q177 PolarHBondContact O-N 3.43Å
176	Q	95.4	Very high	97.1	Very high	120 Å²	120	57.9 Å²	57.9	56%	0.561	31%	0.306	S	S	*	.			trans	-77	90.2	175.7	-62.8	-176.2	12.2	0	0	109.9	L173 E174 Y190	L173-Q176 HydrophobicContact CD1-CG 4.39Å; L173-Q176 WeakPolarHBondContact O-CB 3.22Å; L173-Q176 PolarHBondContact O-N 3.3Å; E174-Q176 VanDerWaalsContact C-N 3.3Å; Q176-Y190 WeakPolarHBondContact CB-OH 3.14Å; Q176-Y190 PolarHBondContact O-OH 3.35Å
177	Q	97.1	Very high	97.1	Very high	68 Å²	68	59.1 Å²	59.1	32%	0.318	31%	0.314	S	S	.	.			trans	-112	144.4	-175.3	-66.5	-64	-43.8	0	0	112	E174 A175 T187 A188	E174-Q177 PolarHBondContact O-NE2 3.29Å; A175-Q177 PolarHBondContact O-N 3.43Å; Q177-T187 VanDerWaalsContact OE1-CA 3.31Å; Q177-A188 PolarHBondContact NE2-O 3.43Å
178	P	97.7	Very high	97	Very high	46 Å²	46	59.6 Å²	59.6	30%	0.299	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-68.6	157.1	174.9	29.8	-35.5	0	0	0	111.7	S180 N186 V539	P178-S180 PolarHBondContact O-N 2.85Å; P178-N186 HydrophobicContact CB-CB 4.05Å; P178-N186 HydrophobicContact CG-CB 3.57Å; P178-V539 HydrophobicContact CG-CG1 4.34Å
179	I	98.1	Very high	97	Very high	154 Å²	154	60 Å²	60	79%	0.79	32%	0.322	S	S	*	.	P	Polyproline II helix	trans	-64.3	135.8	177.2	-61.7	171.5	0	0	0	109.8	N186	I179-N186 PolarHBondContact O-ND2 2.78Å
180	S	97.5	Very high	96.9	Very high	55 Å²	55	60.6 Å²	60.6	39%	0.385	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-101.7	152.2	169.3	-65.3	0	0	0	0	110.5	P178 S184 T185 N186	P178-S180 PolarHBondContact O-N 2.85Å; S180-S184 WeakPolarHBondContact CB-O 3.4Å; S180-T185 WeakPolarHBondContact OG-CA 3.25Å; S180-N186 PolarHBondContact OG-N 3.33Å
181	T	97.4	Very high	97	Very high	80 Å²	80	65.2 Å²	65.2	49%	0.491	34%	0.341	S	S	.	.			trans	-107	-178.6	171.2	74.8	0	0	0	0	110	E183 S184	T181-E183 VanDerWaalsContact CB-OE2 3.31Å; T181-E183 WeakPolarHBondContact CB-OE2 3.28Å; T181-E183 PolarHBondContact O-N 3.44Å; T181-E183 PolarHBondContact OG1-N 3.34Å; T181-E183 PolarHBondContact OG1-OE2 3.05Å; T181-S184 PolarHBondContact N-O 3.22Å; T181-S184 VanDerWaalsContact O-O 3.04Å; T181-S184 PolarHBondContact OG1-N 3.22Å
182	K	95.7	Very high	97	Very high	199 Å²	199	64.7 Å²	64.7	87%	0.865	34%	0.338	S	S	*	.	S	Bend	trans	-65.3	-32.7	175.6	-67.2	-178.2	179.6	178.8	0	111.8
183	E	97	Very high	97.2	Very high	91 Å²	91	61.6 Å²	61.6	43%	0.425	32%	0.324	S	S	.	.	S	Bend	trans	-88.8	-18.8	-173.8	-54.6	73.1	-156.2	0	0	112.5	T181 T543 H544 V545	T181-E183 VanDerWaalsContact CB-OE2 3.31Å; T181-E183 WeakPolarHBondContact CB-OE2 3.28Å; T181-E183 PolarHBondContact O-N 3.44Å; T181-E183 PolarHBondContact OG1-N 3.34Å; T181-E183 PolarHBondContact OG1-OE2 3.05Å; E183-T543 WeakPolarHBondContact O-CA 3.31Å; E183-H544 PolarHBondContact O-N 3.43Å; E183-V545 HydrophobicContact CB-CG2 3.93Å; E183-V545 HydrophobicContact CG-CG2 4.25Å
184	S	97.9	Very high	97.3	Very high	7 Å²	7	67 Å²	67	5%	0.049	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	136.4	-173.3	-61.1	0	0	0	0	113.1	S180 T181 K541 Q542 T543	S180-S184 WeakPolarHBondContact CB-O 3.4Å; T181-S184 PolarHBondContact N-O 3.22Å; T181-S184 VanDerWaalsContact O-O 3.04Å; T181-S184 PolarHBondContact OG1-N 3.22Å; S184-K541 WeakPolarHBondContact OG-CE 3.23Å; S184-Q542 CarbonylContact C-O 3.52Å; S184-Q542 VanDerWaalsContact CA-O 3.23Å; S184-Q542 WeakPolarHBondContact CA-O 3.11Å; S184-T543 PolarHBondContact OG-OG1 3.35Å
185	T	98.3	Very high	97.5	Very high	58 Å²	58	63.8 Å²	63.8	36%	0.356	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	130.4	167.8	-57.2	0	0	0	0	109.8	S180 K541 Q542 H544	S180-T185 WeakPolarHBondContact OG-CA 3.25Å; T185-K541 WeakPolarHBondContact O-CA 3.29Å; T185-Q542 PolarHBondContact N-O 2.76Å; T185-Q542 PolarHBondContact O-N 2.99Å; T185-H544 PolarHBondContact OG1-NE2 3.42Å
186	N	98	Very high	97.8	Very high	33 Å²	33	60 Å²	60	18%	0.176	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	138.4	173.8	-61.6	-58.1	0	0	0	109.8	P178 I179 S180 V540 K541	P178-N186 HydrophobicContact CB-CB 4.05Å; P178-N186 HydrophobicContact CG-CB 3.57Å; I179-N186 PolarHBondContact O-ND2 2.78Å; S180-N186 PolarHBondContact OG-N 3.33Å; N186-V540 CarbonylContact C-O 3.55Å; N186-V540 VanDerWaalsContact CA-O 3.31Å; N186-V540 WeakPolarHBondContact CA-O 3.43Å; N186-K541 VanDerWaalsContact OD1-CB 3.32Å; N186-K541 WeakPolarHBondContact OD1-CB 3.29Å; N186-K541 WeakPolarHBondContact OD1-CG 3.39Å
187	T	97.7	Very high	97.9	Very high	26 Å²	26	54.3 Å²	54.3	16%	0.16	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	129.6	178.1	-56	0	0	0	0	110.2	T17 Q177 L189 V539 V540	T17-T187 HydrophobicContact CG2-CG2 4.48Å; Q177-T187 VanDerWaalsContact OE1-CA 3.31Å; T187-L189 HydrophobicContact CG2-CD2 4.13Å; T187-V539 CarbonylContact O-C 3.56Å; T187-V539 WeakPolarHBondContact O-CA 3.4Å; T187-V540 PolarHBondContact N-O 3.39Å; T187-V540 PolarHBondContact O-N 3.46Å
188	A	97.4	Very high	98	Very high	11 Å²	11	51.1 Å²	51.1	9%	0.091	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	130.8	170.2	0	0	0	0	0	110.3	Q177 Y190	Q177-A188 PolarHBondContact NE2-O 3.43Å; A188-Y190 HydrophobicContact CB-CE2 4.26Å
189	L	97.3	Very high	98.1	Very high	45 Å²	45	48.9 Å²	48.9	24%	0.236	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	117.2	175.3	-59.1	175.8	0	0	0	108.9	T187 R191 P537 R538 V540	T187-L189 HydrophobicContact CG2-CD2 4.13Å; L189-R191 PolarHBondContact O-N 2.97Å; L189-R191 VanDerWaalsContact O-N 3.16Å; L189-P537 CarbonylContact O-C 3.55Å; L189-P537 WeakPolarHBondContact O-CA 3.14Å; L189-R538 HydrophobicContact CB-CB 4.43Å; L189-R538 PolarHBondContact N-O 2.89Å; L189-R538 PolarHBondContact O-N 2.9Å; L189-V540 HydrophobicContact CD1-CG2 3.8Å; L189-V540 HydrophobicContact CG-CG2 4.45Å
190	Y	97.9	Very high	98.1	Very high	33 Å²	33	42.4 Å²	42.4	13%	0.129	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	80.9	-178.7	-66.3	-82.6	0	0	0	110.6	L173 Q176 A188 T535 P537	L173-Y190 HydrophobicContact CD1-CD1 4.26Å; L173-Y190 HydrophobicContact CD1-CE1 3.58Å; L173-Y190 HydrophobicContact CD1-CE2 4.34Å; L173-Y190 HydrophobicContact CD2-CD1 3.71Å; L173-Y190 HydrophobicContact CD2-CE1 3.9Å; L173-Y190 HydrophobicContact CD2-CG 4.14Å; L173-Y190 HydrophobicContact CG-CD1 3.83Å; L173-Y190 HydrophobicContact CG-CD2 4.18Å; L173-Y190 HydrophobicContact CG-CE1 3.63Å; L173-Y190 HydrophobicContact CG-CE2 4.02Å; L173-Y190 HydrophobicContact CG-CG 4.09Å; L173-Y190 WeakPolarHBondContact O-CE2 3.35Å; Q176-Y190 WeakPolarHBondContact CB-OH 3.14Å; Q176-Y190 PolarHBondContact O-OH 3.35Å; A188-Y190 HydrophobicContact CB-CE2 4.26Å; Y190-T535 VanDerWaalsContact CA-OG1 3.31Å; Y190-T535 WeakPolarHBondContact CA-OG1 3.49Å; Y190-T535 WeakPolarHBondContact CB-OG1 3.42Å; Y190-T535 HydrophobicContact CD1-CG2 4.09Å; Y190-P537 HydrophobicContact CD1-CB 4.45Å; Y190-P537 HydrophobicContact CD1-CG 4Å; Y190-P537 HydrophobicContact CE1-CG 4.11Å
191	R	98.6	Very high	98.2	Very high	98 Å²	98	40 Å²	40	37%	0.37	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	145.2	179.5	-53.5	173.5	-67.3	175.8	-3.1	110.6	L189 T535 S536 P537 R538	L189-R191 PolarHBondContact O-N 2.97Å; L189-R191 VanDerWaalsContact O-N 3.16Å; R191-T535 CarbonylContact O-C 3.57Å; R191-T535 WeakPolarHBondContact O-CA 3.31Å; R191-T535 WeakPolarHBondContact O-CB 3.36Å; R191-T535 PolarHBondContact O-OG1 2.86Å; R191-T535 VanDerWaalsContact O-OG1 3.13Å; R191-S536 PolarHBondContact NE-O 2.91Å; R191-S536 PolarHBondContact NH2-O 2.87Å; R191-S536 VanDerWaalsContact NH2-O 3.12Å; R191-S536 PolarHBondContact NH2-OG 2.95Å; R191-S536 PolarHBondContact O-N 2.88Å; R191-P537 PolarHBondContact NH2-O 2.77Å; R191-R538 HydrophobicContact CG-CB 4.45Å
192	G	98.8	Very high	98.2	Very high	4 Å²	4	36.9 Å²	36.9	4%	0.041	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	162.5	159.6	0	0	0	0	0	111.3	D110 M219	D110-G192 PolarHBondContact OD1-N 3.34Å; G192-M219 WeakPolarHBondContact CA-O 3.38Å; G192-M219 PolarHBondContact N-O 3.31Å
193	L	98.9	Very high	98.4	Very high	7 Å²	7	28.8 Å²	28.8	4%	0.037	15%	0.146	C	C	.	.	P	Polyproline II helix	trans	-68.1	144.3	174.5	-48.3	179.4	0	0	0	109.7	G195 V197 N221 A273 W534	L193-G195 PolarHBondContact O-N 3.32Å; L193-V197 HydrophobicContact CD1-CG2 4.38Å; L193-N221 WeakPolarHBondContact CA-OD1 3.19Å; L193-N221 WeakPolarHBondContact CB-OD1 3.34Å; L193-N221 VanDerWaalsContact CG-OD1 3.31Å; L193-N221 WeakPolarHBondContact CG-OD1 3.5Å; L193-N221 PolarHBondContact N-OD1 3.09Å; L193-A273 HydrophobicContact CB-CB 3.76Å; L193-A273 HydrophobicContact CD1-CB 4.36Å; L193-W534 HydrophobicContact CD1-CE3 4.13Å
194	E	98.8	Very high	98.5	Very high	120 Å²	120	24.7 Å²	24.7	56%	0.561	13%	0.127	S	C	*	.	S	Bend	trans	-81.2	109.6	175.7	-176	178.3	-167.5	0	0	109.9
195	G	98.8	Very high	98.5	Very high	5 Å²	5	25.5 Å²	25.5	5%	0.052	13%	0.129	C	C	.	.	S	Bend	trans	132.4	-148.6	-175.4	0	0	0	0	0	110.9	R106 L193 H271	R106-G195 WeakPolarHBondContact CD-O 3.27Å; L193-G195 PolarHBondContact O-N 3.32Å; G195-H271 CarbonylContact C-O 3.56Å; G195-H271 WeakPolarHBondContact CA-O 3.39Å
196	F	98.9	Very high	98.5	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	158.5	172.7	74.1	-84.2	0	0	0	111.7	I99 A198 V222 L224 V266 H271 L272 A273 G274	I99-F196 HydrophobicContact CD1-CE1 3.94Å; I99-F196 HydrophobicContact CD1-CE2 4.38Å; I99-F196 HydrophobicContact CD1-CZ 3.72Å; I99-F196 HydrophobicContact CG1-CD1 4.37Å; I99-F196 HydrophobicContact CG1-CE1 4Å; I99-F196 HydrophobicContact CG1-CE2 4.26Å; I99-F196 HydrophobicContact CG1-CZ 3.94Å; I99-F196 HydrophobicContact CG2-CD1 3.86Å; I99-F196 HydrophobicContact CG2-CE1 3.83Å; F196-A198 HydrophobicContact CE2-CB 4.41Å; F196-V222 WeakPolarHBondContact CA-O 3.39Å; F196-V222 HydrophobicContact CB-CG2 3.99Å; F196-L224 HydrophobicContact CB-CD1 4.4Å; F196-L224 HydrophobicContact CD2-CD1 3.84Å; F196-L224 HydrophobicContact CE2-CD1 4.48Å; F196-L224 HydrophobicContact CE2-CD2 4.4Å; F196-L224 HydrophobicContact CG-CD1 4.27Å; F196-V266 HydrophobicContact CE2-CB 3.95Å; F196-V266 HydrophobicContact CE2-CG1 3.94Å; F196-V266 HydrophobicContact CZ-CB 3.99Å; F196-V266 HydrophobicContact CZ-CG1 4.29Å; F196-H271 HydrophobicContact CD1-CB 4.09Å; F196-H271 VanDerWaalsContact CD1-O 3.32Å; F196-H271 WeakPolarHBondContact CD1-O 3.38Å; F196-H271 HydrophobicContact CE1-CB 4.26Å; F196-H271 PolarHBondContact N-O 2.98Å; F196-L272 HydrophobicContact CD2-CD1 4.47Å; F196-L272 HydrophobicContact CE1-CB 4.26Å; F196-L272 HydrophobicContact CE2-CD1 3.83Å; F196-L272 HydrophobicContact CZ-CB 4.19Å; F196-L272 HydrophobicContact CZ-CD1 3.86Å; F196-A273 WeakPolarHBondContact O-CB 3.22Å; F196-A273 PolarHBondContact O-N 3.14Å; F196-G274 PolarHBondContact O-N 2.93Å
197	V	99	Very high	98.6	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	132.4	173.5	176.7	0	0	0	0	109.8	L193 P216 N221 V222 V223 L224 G274 N276 W534	L193-V197 HydrophobicContact CD1-CG2 4.38Å; V197-P216 HydrophobicContact CB-CB 4.23Å; V197-P216 HydrophobicContact CG1-CB 4.09Å; V197-P216 HydrophobicContact CG1-CG 4.04Å; V197-P216 HydrophobicContact CG2-CB 4.17Å; V197-N221 HydrophobicContact CG2-CB 4.03Å; V197-V222 PolarHBondContact N-O 3.46Å; V197-V223 HydrophobicContact CB-CG2 4.42Å; V197-V223 CarbonylContact O-C 3.47Å; V197-V223 VanDerWaalsContact O-CA 3.26Å; V197-V223 WeakPolarHBondContact O-CA 3.37Å; V197-L224 PolarHBondContact O-N 2.89Å; V197-G274 CarbonylContact C-O 3.58Å; V197-G274 WeakPolarHBondContact CA-O 3.4Å; V197-N276 HydrophobicContact CG1-CB 4.2Å; V197-W534 HydrophobicContact CG1-CE3 4.35Å; V197-W534 HydrophobicContact CG1-CZ3 3.99Å; V197-W534 HydrophobicContact CG2-CE3 4.21Å; V197-W534 HydrophobicContact CG2-CZ3 4.38Å
198	A	98.9	Very high	98.6	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.008	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	112.3	170.4	0	0	0	0	0	109.6	F196 F262 V266 L272 G274 I275 N276	F196-A198 HydrophobicContact CE2-CB 4.41Å; A198-F262 HydrophobicContact CB-CE1 4.05Å; A198-F262 HydrophobicContact CB-CZ 4.27Å; A198-V266 HydrophobicContact CB-CB 4.19Å; A198-V266 HydrophobicContact CB-CG1 4.2Å; A198-V266 HydrophobicContact CB-CG2 4Å; A198-L272 HydrophobicContact CB-CD1 4.27Å; A198-G274 PolarHBondContact N-O 2.86Å; A198-I275 HydrophobicContact CB-CG1 4.41Å; A198-I275 CarbonylContact O-C 3.49Å; A198-I275 WeakPolarHBondContact O-CA 3.42Å; A198-N276 PolarHBondContact O-N 3.32Å
199	A	98.9	Very high	98.7	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	116.6	174.9	0	0	0	0	0	109.9	L212 A213 V223 L224 W225 K226 N276	A199-L212 HydrophobicContact CB-CB 4.27Å; A199-A213 HydrophobicContact CB-CB 4.11Å; A199-V223 HydrophobicContact CB-CG1 3.62Å; A199-L224 PolarHBondContact N-O 3.47Å; A199-W225 HydrophobicContact CB-CB 4.49Å; A199-K226 PolarHBondContact O-N 2.82Å; A199-N276 WeakPolarHBondContact CA-O 3.48Å
200	V	98.9	Very high	98.8	Very high	17 Å²	17	18.5 Å²	18.5	10%	0.103	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	104.5	-177.8	-178.2	0	0	0	0	108.8	L212 K226 F262 N276 F277 T278	V200-L212 WeakPolarHBondContact O-CD1 3.47Å; V200-K226 HydrophobicContact CG1-CD 4.45Å; V200-F262 HydrophobicContact CG2-CD1 4.12Å; V200-F262 HydrophobicContact CG2-CE1 3.7Å; V200-N276 PolarHBondContact N-O 2.92Å; V200-F277 HydrophobicContact CB-CD2 3.8Å; V200-F277 HydrophobicContact CB-CE2 4.45Å; V200-F277 HydrophobicContact CG1-CD2 3.78Å; V200-F277 HydrophobicContact CG1-CE2 3.92Å; V200-T278 PolarHBondContact O-N 2.99Å; V200-T278 VanDerWaalsContact O-N 3.08Å
201	A	98.6	Very high	98.8	Very high	5 Å²	5	17.1 Å²	17.1	4%	0.041	8%	0.083	C	C	.	.			trans	-96.3	148.4	-170.7	0	0	0	0	0	113.4	L212 K226	A201-L212 HydrophobicContact CB-CD1 4.15Å; A201-K226 PolarHBondContact N-O 3.03Å; A201-K226 VanDerWaalsContact N-O 3.12Å
202	P	98.7	Very high	98.8	Very high	15 Å²	15	12.7 Å²	12.7	10%	0.097	7%	0.066	C	C	.	.			trans	-85.8	174.7	175.5	39.3	-35.6	0	0	0	110.5	N204 I208 S228 T278	P202-N204 WeakPolarHBondContact CB-OD1 3.45Å; P202-N204 VanDerWaalsContact CG-OD1 3.28Å; P202-N204 WeakPolarHBondContact CG-OD1 3.33Å; P202-I208 HydrophobicContact CG-CB 4.29Å; P202-I208 HydrophobicContact CG-CD1 4.42Å; P202-I208 HydrophobicContact CG-CG2 3.81Å; P202-S228 VanDerWaalsContact C-CB 3.43Å; P202-S228 WeakPolarHBondContact O-CB 3.13Å; P202-T278 HydrophobicContact CB-CG2 4.3Å; P202-T278 HydrophobicContact CG-CG2 3.77Å
203	F	98.8	Very high	98.8	Very high	29 Å²	29	12.5 Å²	12.5	13%	0.127	6%	0.064	C	C	.	.	S	Bend	trans	-83.6	-24.4	178.5	74	-95.2	0	0	0	113.7	Q144 F205 S228 T230 Y336 Q339 I385 F442	Q144-F203 PolarHBondContact NE2-O 2.95Å; F203-F205 PolarHBondContact O-N 2.66Å; F203-S228 WeakPolarHBondContact CB-OG 3.25Å; F203-T230 WeakPolarHBondContact CB-OG1 3.44Å; F203-Y336 HydrophobicContact CE2-CE1 4.43Å; F203-Q339 HydrophobicContact CE2-CB 4.16Å; F203-Q339 HydrophobicContact CZ-CB 4.19Å; F203-Q339 HydrophobicContact CZ-CG 4.47Å; F203-I385 HydrophobicContact CB-CD1 4.47Å; F203-I385 HydrophobicContact CB-CG1 4.19Å; F203-I385 HydrophobicContact CD1-CG2 4.23Å; F203-I385 HydrophobicContact CD2-CB 3.7Å; F203-I385 HydrophobicContact CD2-CD1 3.61Å; F203-I385 HydrophobicContact CD2-CG1 3.39Å; F203-I385 HydrophobicContact CD2-CG2 4.02Å; F203-I385 HydrophobicContact CE1-CG2 3.85Å; F203-I385 HydrophobicContact CE2-CB 3.47Å; F203-I385 VanDerWaalsContact CE2-CB 3.47Å; F203-I385 HydrophobicContact CE2-CD1 4.15Å; F203-I385 HydrophobicContact CE2-CG1 3.76Å; F203-I385 HydrophobicContact CE2-CG2 3.63Å; F203-I385 HydrophobicContact CG-CB 4.34Å; F203-I385 HydrophobicContact CG-CD1 4.31Å; F203-I385 HydrophobicContact CG-CG1 3.81Å; F203-I385 HydrophobicContact CG-CG2 4.28Å; F203-I385 HydrophobicContact CZ-CB 3.91Å; F203-I385 HydrophobicContact CZ-CG1 4.43Å; F203-I385 HydrophobicContact CZ-CG2 3.49Å; F203-I385 VanDerWaalsContact CZ-CG2 3.49Å; F203-F442 HydrophobicContact CE1-CD1 4.1Å; F203-F442 AromaticContact CE1-CE1 3.68Å; F203-F442 HydrophobicContact CE1-CE1 3.68Å; F203-F442 HydrophobicContact CE2-CE1 4.21Å; F203-F442 AromaticContact CZ-CD1 3.72Å; F203-F442 HydrophobicContact CZ-CD1 3.72Å; F203-F442 AromaticContact CZ-CE1 3.32Å; F203-F442 HydrophobicContact CZ-CE1 3.32Å; F203-F442 HydrophobicContact CZ-CZ 4.5Å
204	N	98.5	Very high	98.8	Very high	5 Å²	5	12.2 Å²	12.2	3%	0.027	6%	0.063	C	C	.	.	S	Bend	trans	-82.2	-18.6	-156.9	65.1	-39.6	0	0	0	114.1	K146 P202 Y336 Q339 F442	K146-N204 WeakPolarHBondContact CE-O 3.48Å; K146-N204 PolarHBondContact NZ-O 2.79Å; P202-N204 WeakPolarHBondContact CB-OD1 3.45Å; P202-N204 VanDerWaalsContact CG-OD1 3.28Å; P202-N204 WeakPolarHBondContact CG-OD1 3.33Å; N204-Y336 HydrophobicContact CB-CE1 3.93Å; N204-Y336 WeakPolarHBondContact O-CE1 3.48Å; N204-Q339 VanDerWaalsContact CB-O 3.32Å; N204-Q339 WeakPolarHBondContact CB-O 3.45Å; N204-Q339 PolarHBondContact ND2-O 3.04Å; N204-F442 HydrophobicContact CB-CE1 4.15Å; N204-F442 HydrophobicContact CB-CZ 4.12Å
205	F	98.9	Very high	98.9	Very high	24 Å²	24	6.5 Å²	6.5	11%	0.105	4%	0.036	C	C	.	.			trans	-137.9	123.2	174.3	-74.9	-99.8	0	0	0	110.7	D154 E158 F203 A207 I208 K340	D154-F205 HydrophobicContact CB-CD1 3.73Å; D154-F205 HydrophobicContact CB-CE1 4.18Å; D154-F205 WeakPolarHBondContact OD1-CA 3.44Å; D154-F205 WeakPolarHBondContact OD1-CB 3.48Å; D154-F205 WeakPolarHBondContact OD1-CD1 3.12Å; D154-F205 WeakPolarHBondContact OD2-CA 3.47Å; E158-F205 WeakPolarHBondContact OE2-CD1 3.38Å; E158-F205 WeakPolarHBondContact OE2-CE1 3.47Å; F203-F205 PolarHBondContact O-N 2.66Å; F205-A207 VanDerWaalsContact C-N 3.26Å; F205-A207 PolarHBondContact O-N 3.42Å; F205-I208 HydrophobicContact CB-CB 4.02Å; F205-I208 HydrophobicContact CB-CD1 3.7Å; F205-I208 HydrophobicContact CB-CG1 3.61Å; F205-I208 HydrophobicContact CD2-CD1 4.03Å; F205-I208 HydrophobicContact CG-CD1 4.04Å; F205-I208 HydrophobicContact CG-CG1 4.3Å; F205-I208 PolarHBondContact O-N 2.95Å; F205-K340 HydrophobicContact CE2-CB 4.47Å; F205-K340 HydrophobicContact CE2-CG 4.2Å; F205-K340 HydrophobicContact CZ-CD 4.39Å; F205-K340 HydrophobicContact CZ-CG 4.19Å
206	T	98.9	Very high	98.9	Very high	2 Å²	2	6.3 Å²	6.3	1%	0.012	3%	0.034	C	C	.	.	H	α-helix	trans	-63.5	-37	171.8	-57.6	0	0	0	0	110.4	I136 T140 Q144 D154 A155 I208 G209 G210 A234 V238	I136-T206 HydrophobicContact CG2-CG2 4.5Å; T140-T206 PolarHBondContact OG1-OG1 3.35Å; Q144-T206 PolarHBondContact NE2-OG1 2.88Å; Q144-T206 PolarHBondContact OE1-OG1 2.65Å; D154-T206 PolarHBondContact OD1-N 2.78Å; D154-T206 PolarHBondContact OD2-N 2.96Å; A155-T206 HydrophobicContact CB-CG2 4.01Å; T206-I208 VanDerWaalsContact C-N 3.34Å; T206-I208 PolarHBondContact O-N 3.47Å; T206-G209 PolarHBondContact O-N 2.89Å; T206-G210 PolarHBondContact O-N 3.43Å; T206-A234 HydrophobicContact CG2-CB 3.91Å; T206-V238 HydrophobicContact CG2-CG2 3.74Å
207	A	98.9	Very high	98.9	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-58	-43.2	176.7	0	0	0	0	0	113	D154 E158 L159 F162 F205 G209 G210 N211	D154-A207 WeakPolarHBondContact O-CB 3.22Å; D154-A207 WeakPolarHBondContact OD1-CB 3.15Å; D154-A207 PolarHBondContact OD1-N 3.48Å; E158-A207 HydrophobicContact CB-CB 3.89Å; E158-A207 HydrophobicContact CG-CB 3.77Å; L159-A207 HydrophobicContact CB-CB 3.88Å; F162-A207 HydrophobicContact CD2-CB 4.16Å; F162-A207 HydrophobicContact CE2-CB 4.21Å; F205-A207 VanDerWaalsContact C-N 3.26Å; F205-A207 PolarHBondContact O-N 3.42Å; A207-G209 VanDerWaalsContact C-N 3.33Å; A207-G209 PolarHBondContact O-N 2.93Å; A207-G210 PolarHBondContact O-N 3.26Å; A207-N211 WeakPolarHBondContact O-CB 3.42Å; A207-N211 PolarHBondContact O-N 3.26Å
208	I	98.9	Very high	98.9	Very high	22 Å²	22	6.6 Å²	6.6	11%	0.113	4%	0.036	C	C	.	.	H	α-helix	trans	-61.7	-43.5	-179.8	-66.6	179	0	0	0	110.2	P202 F205 T206 G210 N211 L212 T278	P202-I208 HydrophobicContact CG-CB 4.29Å; P202-I208 HydrophobicContact CG-CD1 4.42Å; P202-I208 HydrophobicContact CG-CG2 3.81Å; F205-I208 HydrophobicContact CB-CB 4.02Å; F205-I208 HydrophobicContact CB-CD1 3.7Å; F205-I208 HydrophobicContact CB-CG1 3.61Å; F205-I208 HydrophobicContact CD2-CD1 4.03Å; F205-I208 HydrophobicContact CG-CD1 4.04Å; F205-I208 HydrophobicContact CG-CG1 4.3Å; F205-I208 PolarHBondContact O-N 2.95Å; T206-I208 VanDerWaalsContact C-N 3.34Å; T206-I208 PolarHBondContact O-N 3.47Å; I208-G210 PolarHBondContact O-N 3.07Å; I208-N211 PolarHBondContact O-N 3.49Å; I208-L212 HydrophobicContact CG2-CD1 3.63Å; I208-L212 HydrophobicContact CG2-CG 3.84Å; I208-L212 WeakPolarHBondContact O-CB 3.22Å; I208-L212 WeakPolarHBondContact O-CG 3.46Å; I208-L212 PolarHBondContact O-N 3.11Å; I208-T278 HydrophobicContact CD1-CG2 4.48Å; I208-T278 HydrophobicContact CG2-CG2 4.29Å
209	G	98.8	Very high	98.8	Very high	1 Å²	1	6.6 Å²	6.6	1%	0.01	4%	0.036	C	C	.	.	H	α-helix	trans	-58.5	-47.8	176.4	0	0	0	0	0	112.8	T206 A207 N211 L212 A213	T206-G209 PolarHBondContact O-N 2.89Å; A207-G209 VanDerWaalsContact C-N 3.33Å; A207-G209 PolarHBondContact O-N 2.93Å; G209-N211 PolarHBondContact O-N 2.83Å; G209-L212 PolarHBondContact O-N 3.48Å; G209-A213 PolarHBondContact O-N 3.43Å
210	G	98.8	Very high	98.8	Very high	1 Å²	1	6.6 Å²	6.6	1%	0.01	4%	0.036	C	C	.	.	H	α-helix	trans	-61	-41.5	175.6	0	0	0	0	0	113	T206 A207 I208 G214	T206-G210 PolarHBondContact O-N 3.43Å; A207-G210 PolarHBondContact O-N 3.26Å; I208-G210 PolarHBondContact O-N 3.07Å; G210-G214 VanDerWaalsContact O-CA 3.3Å; G210-G214 WeakPolarHBondContact O-CA 3.46Å; G210-G214 PolarHBondContact O-N 3.07Å
211	N	98.9	Very high	98.8	Very high	4 Å²	4	5.8 Å²	5.8	2%	0.021	3%	0.031	C	C	.	.	H	α-helix	trans	-69.8	-43.7	178.7	179.4	44.8	0	0	0	112.9	F162 N166 A207 I208 G209 A213 G214 T215	F162-N211 HydrophobicContact CB-CB 4.11Å; F162-N211 HydrophobicContact CD1-CB 4.12Å; F162-N211 HydrophobicContact CD2-CB 3.67Å; F162-N211 HydrophobicContact CE1-CB 4.47Å; F162-N211 WeakPolarHBondContact CE1-ND2 3.41Å; F162-N211 HydrophobicContact CE2-CB 4.03Å; F162-N211 HydrophobicContact CG-CB 3.72Å; F162-N211 HydrophobicContact CZ-CB 4.44Å; N166-N211 PolarHBondContact ND2-OD1 3.29Å; A207-N211 WeakPolarHBondContact O-CB 3.42Å; A207-N211 PolarHBondContact O-N 3.26Å; I208-N211 PolarHBondContact O-N 3.49Å; G209-N211 PolarHBondContact O-N 2.83Å; N211-A213 VanDerWaalsContact C-N 3.26Å; N211-A213 PolarHBondContact O-N 3.44Å; N211-G214 PolarHBondContact O-N 2.86Å; N211-T215 WeakPolarHBondContact O-CB 3.17Å; N211-T215 PolarHBondContact O-N 3.32Å; N211-T215 PolarHBondContact O-OG1 3.45Å; N211-T215 PolarHBondContact OD1-OG1 3.08Å
212	L	98.9	Very high	98.9	Very high	4 Å²	4	5.5 Å²	5.5	2%	0.021	3%	0.029	C	C	.	.	H	α-helix	trans	-62.5	-35.2	-177.9	-71	176.3	0	0	0	112	A199 V200 A201 I208 G209 P216 N276	A199-L212 HydrophobicContact CB-CB 4.27Å; V200-L212 WeakPolarHBondContact O-CD1 3.47Å; A201-L212 HydrophobicContact CB-CD1 4.15Å; I208-L212 HydrophobicContact CG2-CD1 3.63Å; I208-L212 HydrophobicContact CG2-CG 3.84Å; I208-L212 WeakPolarHBondContact O-CB 3.22Å; I208-L212 WeakPolarHBondContact O-CG 3.46Å; I208-L212 PolarHBondContact O-N 3.11Å; G209-L212 PolarHBondContact O-N 3.48Å; L212-P216 WeakPolarHBondContact O-CD 3.08Å; L212-P216 VanDerWaalsContact O-CG 3.3Å; L212-P216 WeakPolarHBondContact O-CG 3.38Å; L212-N276 VanDerWaalsContact CA-ND2 3.31Å; L212-N276 WeakPolarHBondContact CA-ND2 3.44Å; L212-N276 HydrophobicContact CD2-CB 4.27Å; L212-N276 WeakPolarHBondContact CD2-OD1 3.32Å; L212-N276 PolarHBondContact O-ND2 3.2Å
213	A	98.9	Very high	98.9	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-88.6	-42.4	176	0	0	0	0	0	112.9	A199 G209 N211 A217 V223 W225 I252	A199-A213 HydrophobicContact CB-CB 4.11Å; G209-A213 PolarHBondContact O-N 3.43Å; N211-A213 VanDerWaalsContact C-N 3.26Å; N211-A213 PolarHBondContact O-N 3.44Å; A213-A217 WeakPolarHBondContact O-CB 3.49Å; A213-A217 PolarHBondContact O-N 2.74Å; A213-V223 HydrophobicContact CB-CG1 4.19Å; A213-W225 HydrophobicContact CB-CB 4Å; A213-W225 HydrophobicContact CB-CD2 3.94Å; A213-W225 HydrophobicContact CB-CE3 4.13Å; A213-W225 HydrophobicContact CB-CG 3.87Å; A213-I252 HydrophobicContact CB-CD1 4.13Å; A213-I252 HydrophobicContact CB-CG2 4.33Å
214	G	98.9	Very high	98.9	Very high	1 Å²	1	3.4 Å²	3.4	1%	0.01	2%	0.018	C	C	.	.	H	α-helix	trans	-69.2	-38.2	-174.1	0	0	0	0	0	113.9	G210 N211 A217 L218	G210-G214 VanDerWaalsContact O-CA 3.3Å; G210-G214 WeakPolarHBondContact O-CA 3.46Å; G210-G214 PolarHBondContact O-N 3.07Å; N211-G214 PolarHBondContact O-N 2.86Å; G214-A217 PolarHBondContact O-N 2.81Å; G214-L218 WeakPolarHBondContact O-CB 3.44Å; G214-L218 PolarHBondContact O-N 2.77Å
215	T	98.9	Very high	98.9	Very high	1 Å²	1	3.2 Å²	3.2	1%	0.006	2%	0.017	C	C	.	.	H	α-helix	trans	-71.3	-45.5	-175.8	-62	0	0	0	0	113.2	N166 N211 A217 L218 M219 Y530 V531	N166-T215 HydrophobicContact CB-CG2 4.5Å; N166-T215 PolarHBondContact ND2-OG1 3.43Å; N211-T215 WeakPolarHBondContact O-CB 3.17Å; N211-T215 PolarHBondContact O-N 3.32Å; N211-T215 PolarHBondContact O-OG1 3.45Å; N211-T215 PolarHBondContact OD1-OG1 3.08Å; T215-A217 VanDerWaalsContact C-N 3.31Å; T215-A217 PolarHBondContact O-N 2.87Å; T215-L218 WeakPolarHBondContact O-CB 3.35Å; T215-L218 PolarHBondContact O-N 2.89Å; T215-M219 WeakPolarHBondContact O-CG 3.18Å; T215-M219 PolarHBondContact O-N 2.7Å; T215-Y530 HydrophobicContact CG2-CD1 3.77Å; T215-Y530 HydrophobicContact CG2-CE1 3.8Å; T215-V531 HydrophobicContact CG2-CG1 4.09Å
216	P	98.9	Very high	98.9	Very high	0 Å²	0	3.1 Å²	3.1	0%	0	2%	0.016	C	C	.	.	H	α-helix	trans	-59.4	-42.8	169.4	-23.1	33.2	0	0	0	112	V197 L212 L218 M219 N221 V223 W534	V197-P216 HydrophobicContact CB-CB 4.23Å; V197-P216 HydrophobicContact CG1-CB 4.09Å; V197-P216 HydrophobicContact CG1-CG 4.04Å; V197-P216 HydrophobicContact CG2-CB 4.17Å; L212-P216 WeakPolarHBondContact O-CD 3.08Å; L212-P216 VanDerWaalsContact O-CG 3.3Å; L212-P216 WeakPolarHBondContact O-CG 3.38Å; P216-L218 VanDerWaalsContact C-N 3.35Å; P216-L218 PolarHBondContact O-N 3.49Å; P216-M219 PolarHBondContact O-N 2.94Å; P216-M219 VanDerWaalsContact O-N 3.07Å; P216-N221 HydrophobicContact CB-CB 4.12Å; P216-N221 VanDerWaalsContact O-CB 3.23Å; P216-N221 WeakPolarHBondContact O-CB 3.46Å; P216-N221 PolarHBondContact O-N 3.13Å; P216-N221 VanDerWaalsContact O-N 3.12Å; P216-N221 PolarHBondContact O-ND2 3.32Å; P216-V223 HydrophobicContact CB-CG2 4.01Å; P216-W534 HydrophobicContact CB-CB 4.38Å; P216-W534 HydrophobicContact CB-CD2 4.16Å; P216-W534 HydrophobicContact CB-CE3 4.35Å; P216-W534 HydrophobicContact CB-CG 4.14Å; P216-W534 HydrophobicContact CG-CD2 3.77Å; P216-W534 HydrophobicContact CG-CE3 4.16Å; P216-W534 HydrophobicContact CG-CG 3.99Å
217	A	98.9	Very high	98.9	Very high	3 Å²	3	3 Å²	3	3%	0.025	2%	0.016	C	C	.	.	H	α-helix	trans	-58.9	-44.5	178.1	0	0	0	0	0	112.3	W109 A213 G214 T215 M219 G220 N221 V223 I251 I252	W109-A217 PolarHBondContact NE1-O 3.12Å; A213-A217 WeakPolarHBondContact O-CB 3.49Å; A213-A217 PolarHBondContact O-N 2.74Å; G214-A217 PolarHBondContact O-N 2.81Å; T215-A217 VanDerWaalsContact C-N 3.31Å; T215-A217 PolarHBondContact O-N 2.87Å; A217-M219 PolarHBondContact O-N 2.66Å; A217-G220 PolarHBondContact O-N 2.76Å; A217-N221 WeakPolarHBondContact CA-O 3.32Å; A217-V223 HydrophobicContact CB-CG2 4.21Å; A217-I251 HydrophobicContact CB-CG2 4.06Å; A217-I252 HydrophobicContact CB-CD1 3.94Å; A217-I252 HydrophobicContact CB-CG1 3.99Å
218	L	98.9	Very high	98.9	Very high	3 Å²	3	3.8 Å²	3.8	2%	0.016	2%	0.022	C	C	.	.	H	α-helix	trans	-53.7	-40.2	173.5	169.8	67.3	0	0	0	112.6	R117 A118 L121 N166 A170 G214 T215 P216 G220	R117-L218 HydrophobicContact CB-CD1 4.42Å; R117-L218 PolarHBondContact NE-O 3.02Å; A118-L218 HydrophobicContact CB-CD1 3.89Å; L121-L218 HydrophobicContact CD1-CB 3.87Å; L121-L218 HydrophobicContact CD1-CD1 4.24Å; L121-L218 HydrophobicContact CD1-CD2 4Å; L121-L218 HydrophobicContact CD1-CG 4.26Å; N166-L218 VanDerWaalsContact C-CD2 3.45Å; N166-L218 HydrophobicContact CB-CD2 3.96Å; N166-L218 VanDerWaalsContact O-CD2 3.3Å; N166-L218 WeakPolarHBondContact O-CD2 3.45Å; A170-L218 HydrophobicContact CB-CD1 4.22Å; A170-L218 HydrophobicContact CB-CD2 3.7Å; A170-L218 HydrophobicContact CB-CG 3.9Å; G214-L218 WeakPolarHBondContact O-CB 3.44Å; G214-L218 PolarHBondContact O-N 2.77Å; T215-L218 WeakPolarHBondContact O-CB 3.35Å; T215-L218 PolarHBondContact O-N 2.89Å; P216-L218 VanDerWaalsContact C-N 3.35Å; P216-L218 PolarHBondContact O-N 3.49Å; L218-G220 PolarHBondContact O-N 3.02Å
219	M	98.9	Very high	98.9	Very high	1 Å²	1	4.9 Å²	4.9	1%	0.005	3%	0.027	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	12	-179.3	-61.8	-50.8	-64.6	0	0	114	A170 L173 G192 T215 P216 A217 V531 W534 T535	A170-M219 HydrophobicContact CB-SD 3.54Å; A170-M219 VanDerWaalsContact CB-SD 3.54Å; L173-M219 HydrophobicContact CD2-CE 3.97Å; G192-M219 WeakPolarHBondContact CA-O 3.38Å; G192-M219 PolarHBondContact N-O 3.31Å; T215-M219 WeakPolarHBondContact O-CG 3.18Å; T215-M219 PolarHBondContact O-N 2.7Å; P216-M219 PolarHBondContact O-N 2.94Å; P216-M219 VanDerWaalsContact O-N 3.07Å; A217-M219 PolarHBondContact O-N 2.66Å; M219-V531 HydrophobicContact CE-CB 4.34Å; M219-V531 HydrophobicContact CG-CB 4.18Å; M219-V531 HydrophobicContact SD-CB 3.82Å; M219-V531 HydrophobicContact SD-CG1 4.18Å; M219-W534 HydrophobicContact CB-CB 3.89Å; M219-W534 WeakPolarHBondContact CB-O 3.46Å; M219-W534 HydrophobicContact CG-CB 4.02Å; M219-T535 HydrophobicContact CE-CG2 4.06Å
220	G	98.8	Very high	98.9	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.034	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.3	11.4	176.3	0	0	0	0	0	114.3	A217 L218	A217-G220 PolarHBondContact O-N 2.76Å; L218-G220 PolarHBondContact O-N 3.02Å
221	N	98.9	Very high	98.9	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.033	C	C	.	.			trans	-86.1	161.9	175.6	-54.7	-87.9	0	0	0	111.2	W109 L193 V197 P216 A217 W534	W109-N221 VanDerWaalsContact CD1-O 3.29Å; W109-N221 PolarHBondContact NE1-O 2.87Å; L193-N221 WeakPolarHBondContact CA-OD1 3.19Å; L193-N221 WeakPolarHBondContact CB-OD1 3.34Å; L193-N221 VanDerWaalsContact CG-OD1 3.31Å; L193-N221 WeakPolarHBondContact CG-OD1 3.5Å; L193-N221 PolarHBondContact N-OD1 3.09Å; V197-N221 HydrophobicContact CG2-CB 4.03Å; P216-N221 HydrophobicContact CB-CB 4.12Å; P216-N221 VanDerWaalsContact O-CB 3.23Å; P216-N221 WeakPolarHBondContact O-CB 3.46Å; P216-N221 PolarHBondContact O-N 3.13Å; P216-N221 VanDerWaalsContact O-N 3.12Å; P216-N221 PolarHBondContact O-ND2 3.32Å; A217-N221 WeakPolarHBondContact CA-O 3.32Å; N221-W534 PolarHBondContact ND2-O 3.09Å
222	V	98.9	Very high	98.9	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.032	C	C	.	.			trans	-107.9	146.6	163.9	-64.7	0	0	0	0	109	S102 R106 F196 V197 I251	S102-V222 WeakPolarHBondContact O-CG1 3.32Å; R106-V222 HydrophobicContact CB-CG1 3.77Å; R106-V222 HydrophobicContact CB-CG2 3.95Å; R106-V222 HydrophobicContact CG-CG1 4.02Å; R106-V222 HydrophobicContact CG-CG2 3.97Å; F196-V222 WeakPolarHBondContact CA-O 3.39Å; F196-V222 HydrophobicContact CB-CG2 3.99Å; V197-V222 PolarHBondContact N-O 3.46Å; V222-I251 CarbonylContact C-O 3.58Å; V222-I251 WeakPolarHBondContact CA-O 3.32Å; V222-I251 HydrophobicContact CG1-CD1 4.05Å
223	V	99	Very high	98.9	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	3%	0.032	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	135.1	-162.7	-173	0	0	0	0	111.3	V197 A199 A213 P216 A217 I251 I252 Q253	V197-V223 HydrophobicContact CB-CG2 4.42Å; V197-V223 CarbonylContact O-C 3.47Å; V197-V223 VanDerWaalsContact O-CA 3.26Å; V197-V223 WeakPolarHBondContact O-CA 3.37Å; A199-V223 HydrophobicContact CB-CG1 3.62Å; A213-V223 HydrophobicContact CB-CG1 4.19Å; P216-V223 HydrophobicContact CB-CG2 4.01Å; A217-V223 HydrophobicContact CB-CG2 4.21Å; V223-I251 PolarHBondContact N-O 3.49Å; V223-I252 HydrophobicContact CB-CG1 4.2Å; V223-I252 WeakPolarHBondContact O-CA 3.2Å; V223-Q253 PolarHBondContact O-N 3.44Å
224	L	98.9	Very high	98.9	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	3%	0.032	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	109.4	162.8	-84.6	68.7	0	0	0	107.7	I95 A98 I99 F196 V197 A199 Q253 L255 F262 V266	I95-L224 HydrophobicContact CG2-CD2 3.98Å; A98-L224 HydrophobicContact CB-CD2 4.41Å; I99-L224 HydrophobicContact CD1-CD2 4.34Å; I99-L224 HydrophobicContact CG1-CD1 4.29Å; I99-L224 HydrophobicContact CG1-CD2 3.51Å; F196-L224 HydrophobicContact CB-CD1 4.4Å; F196-L224 HydrophobicContact CD2-CD1 3.84Å; F196-L224 HydrophobicContact CE2-CD1 4.48Å; F196-L224 HydrophobicContact CE2-CD2 4.4Å; F196-L224 HydrophobicContact CG-CD1 4.27Å; V197-L224 PolarHBondContact O-N 2.89Å; A199-L224 PolarHBondContact N-O 3.47Å; L224-Q253 HydrophobicContact CD1-CG 4.24Å; L224-Q253 HydrophobicContact CG-CB 4.36Å; L224-Q253 HydrophobicContact CG-CG 4.41Å; L224-L255 HydrophobicContact CB-CD1 4.15Å; L224-L255 HydrophobicContact CD2-CD1 3.72Å; L224-L255 HydrophobicContact CG-CD1 3.69Å; L224-F262 HydrophobicContact CB-CE2 4.25Å; L224-F262 HydrophobicContact CB-CZ 4.1Å; L224-V266 HydrophobicContact CD2-CG1 4.43Å
225	W	98.9	Very high	98.9	Very high	1 Å²	1	5.8 Å²	5.8	0%	0.004	3%	0.033	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	109.5	-179.6	178.7	19.7	0	0	0	110.2	A199 A213 P227 S235 V238 Y239 I252 Q253 F254 L255	A199-W225 HydrophobicContact CB-CB 4.49Å; A213-W225 HydrophobicContact CB-CB 4Å; A213-W225 HydrophobicContact CB-CD2 3.94Å; A213-W225 HydrophobicContact CB-CE3 4.13Å; A213-W225 HydrophobicContact CB-CG 3.87Å; W225-P227 WeakPolarHBondContact O-CD 3.33Å; W225-S235 WeakPolarHBondContact CH2-O 3.28Å; W225-V238 HydrophobicContact CH2-CB 4.44Å; W225-Y239 HydrophobicContact CE3-CD2 4.34Å; W225-Y239 HydrophobicContact CZ3-CD2 4.39Å; W225-I252 HydrophobicContact CB-CG2 3.92Å; W225-I252 HydrophobicContact CE3-CG2 4.15Å; W225-Q253 PolarHBondContact N-O 3.38Å; W225-F254 HydrophobicContact CD2-CD2 4.1Å; W225-F254 HydrophobicContact CD2-CE2 4.26Å; W225-F254 AromaticContact CE3-CD2 3.64Å; W225-F254 HydrophobicContact CE3-CD2 3.64Å; W225-F254 AromaticContact CE3-CE2 3.98Å; W225-F254 HydrophobicContact CE3-CE2 3.98Å; W225-F254 HydrophobicContact CH2-CE2 4.11Å; W225-F254 HydrophobicContact CZ2-CE2 4.36Å; W225-F254 AromaticContact CZ3-CD2 3.9Å; W225-F254 HydrophobicContact CZ3-CD2 3.9Å; W225-F254 AromaticContact CZ3-CE2 3.92Å; W225-F254 HydrophobicContact CZ3-CE2 3.92Å; W225-L255 PolarHBondContact O-N 3.04Å
226	K	98.9	Very high	98.9	Very high	21 Å²	21	6.6 Å²	6.6	9%	0.091	4%	0.036	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	101.4	165.4	-173.9	-157.1	152.6	-62.2	0	109.1	A199 V200 A201 L255 A257 F262	A199-K226 PolarHBondContact O-N 2.82Å; V200-K226 HydrophobicContact CG1-CD 4.45Å; A201-K226 PolarHBondContact N-O 3.03Å; A201-K226 VanDerWaalsContact N-O 3.12Å; K226-L255 WeakPolarHBondContact CA-O 3.44Å; K226-A257 WeakPolarHBondContact CE-O 3.16Å; K226-A257 HydrophobicContact CG-CB 4.41Å; K226-F262 HydrophobicContact CB-CD1 3.98Å; K226-F262 HydrophobicContact CB-CD2 3.93Å; K226-F262 HydrophobicContact CB-CE1 3.82Å; K226-F262 HydrophobicContact CB-CE2 3.78Å; K226-F262 HydrophobicContact CB-CG 4.03Å; K226-F262 HydrophobicContact CB-CZ 3.72Å; K226-F262 HydrophobicContact CD-CB 3.88Å; K226-F262 HydrophobicContact CD-CD1 3.84Å; K226-F262 HydrophobicContact CD-CD2 4.38Å; K226-F262 HydrophobicContact CD-CE1 4.49Å; K226-F262 HydrophobicContact CD-CG 3.77Å; K226-F262 HydrophobicContact CG-CD1 4.38Å; K226-F262 HydrophobicContact CG-CD2 4.26Å; K226-F262 HydrophobicContact CG-CG 4.15Å
227	P	98.8	Very high	98.9	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.038	C	C	.	.			trans	-66.1	170.8	172.6	32	-38.3	0	0	0	111.1	W225 V232 F254 P256	W225-P227 WeakPolarHBondContact O-CD 3.33Å; P227-V232 HydrophobicContact CG-CG2 4.06Å; P227-F254 HydrophobicContact CB-CE2 4.17Å; P227-F254 HydrophobicContact CB-CZ 4.16Å; P227-F254 HydrophobicContact CG-CE1 4.17Å; P227-F254 HydrophobicContact CG-CE2 3.9Å; P227-F254 HydrophobicContact CG-CZ 3.64Å; P227-P256 HydrophobicContact CG-CB 4.33Å; P227-P256 HydrophobicContact CG-CG 3.97Å
228	S	98.8	Very high	98.9	Very high	17 Å²	17	6.7 Å²	6.7	12%	0.119	4%	0.037	C	C	.	.			trans	-79.4	138.4	164.3	-179.1	0	0	0	0	109.9	P202 F203 T230 A231 V232	P202-S228 VanDerWaalsContact C-CB 3.43Å; P202-S228 WeakPolarHBondContact O-CB 3.13Å; F203-S228 WeakPolarHBondContact CB-OG 3.25Å; S228-T230 PolarHBondContact O-N 2.69Å; S228-T230 PolarHBondContact OG-OG1 2.89Å; S228-A231 CarbonylContact O-C 3.58Å; S228-A231 PolarHBondContact O-N 3.13Å; S228-V232 PolarHBondContact O-N 3.21Å; S228-V232 VanDerWaalsContact O-N 3.14Å
229	D	98.8	Very high	98.9	Very high	44 Å²	44	6.6 Å²	6.6	24%	0.235	4%	0.036	C	C	.	.	G	3₁₀ helix	trans	-54.7	-39.9	178	-58.7	-4.2	0	0	0	112	F87 Y89 A231	F87-D229 HydrophobicContact CZ-CB 3.8Å; Y89-D229 WeakPolarHBondContact CE1-OD1 3.45Å; Y89-D229 PolarHBondContact OH-OD2 3.04Å; D229-A231 VanDerWaalsContact C-N 3.25Å; D229-A231 PolarHBondContact O-N 3.24Å
230	T	98.8	Very high	98.9	Very high	23 Å²	23	11.2 Å²	11.2	14%	0.141	5%	0.054	C	C	.	.	G	3₁₀ helix	trans	-86.2	9.2	-178.6	51.6	0	0	0	0	113.6	Q74 G143 Q144 F203 S228 I385 D386	Q74-T230 VanDerWaalsContact NE2-C 3.29Å; Q74-T230 PolarHBondContact NE2-O 2.63Å; G143-T230 VanDerWaalsContact O-O 3.14Å; Q144-T230 WeakPolarHBondContact CG-O 3.17Å; F203-T230 WeakPolarHBondContact CB-OG1 3.44Å; S228-T230 PolarHBondContact O-N 2.69Å; S228-T230 PolarHBondContact OG-OG1 2.89Å; T230-I385 VanDerWaalsContact CB-CG1 3.48Å; T230-I385 HydrophobicContact CG2-CG1 4.03Å; T230-I385 WeakPolarHBondContact OG1-CG1 3.32Å; T230-D386 HydrophobicContact CG2-CB 4.23Å
231	A	98.9	Very high	98.9	Very high	1 Å²	1	11.4 Å²	11.4	1%	0.008	6%	0.055	C	C	.	.	G	3₁₀ helix	trans	-134.3	16.8	171.3	0	0	0	0	0	112.6	Q144 S228 D229 S233 A234 S235	Q144-A231 HydrophobicContact CG-CB 3.89Å; S228-A231 CarbonylContact O-C 3.58Å; S228-A231 PolarHBondContact O-N 3.13Å; D229-A231 VanDerWaalsContact C-N 3.25Å; D229-A231 PolarHBondContact O-N 3.24Å; A231-S233 PolarHBondContact O-N 2.89Å; A231-A234 PolarHBondContact O-N 2.88Å; A231-S235 VanDerWaalsContact O-CB 3.29Å; A231-S235 WeakPolarHBondContact O-CB 3.18Å; A231-S235 PolarHBondContact O-N 2.84Å; A231-S235 PolarHBondContact O-OG 3.31Å
232	V	98.9	Very high	98.9	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-66.3	-36.8	-167.9	78.1	0	0	0	0	113	V57 Q74 A85 F87 P227 S228 S235 Y236 F254 P256	V57-V232 HydrophobicContact CG1-CG2 3.93Å; Q74-V232 HydrophobicContact CB-CG1 3.97Å; A85-V232 HydrophobicContact CB-CG1 3.97Å; F87-V232 HydrophobicContact CD1-CG1 3.77Å; F87-V232 HydrophobicContact CE1-CG1 4.1Å; F87-V232 HydrophobicContact CG-CG1 4.22Å; F87-V232 HydrophobicContact CG-CG2 4.43Å; P227-V232 HydrophobicContact CG-CG2 4.06Å; S228-V232 PolarHBondContact O-N 3.21Å; S228-V232 VanDerWaalsContact O-N 3.14Å; V232-S235 PolarHBondContact O-N 2.87Å; V232-Y236 VanDerWaalsContact O-CB 3.29Å; V232-Y236 WeakPolarHBondContact O-CB 3.35Å; V232-Y236 PolarHBondContact O-N 2.9Å; V232-F254 HydrophobicContact CG2-CE1 4.1Å; V232-F254 HydrophobicContact CG2-CZ 4.03Å; V232-P256 HydrophobicContact CG2-CB 4.43Å; V232-P256 HydrophobicContact CG2-CG 3.89Å
233	S	98.8	Very high	98.9	Very high	2 Å²	2	13.5 Å²	13.5	1%	0.014	6%	0.063	C	C	.	.	H	α-helix	trans	-63.5	-49.5	178.5	179.8	0	0	0	0	112.3	E55 Q74 A231 Y236 A237	E55-S233 PolarHBondContact OE2-OG 3.17Å; Q74-S233 VanDerWaalsContact OE1-CB 3.27Å; A231-S233 PolarHBondContact O-N 2.89Å; S233-Y236 PolarHBondContact O-N 2.98Å; S233-A237 PolarHBondContact O-N 3.07Å
234	A	98.9	Very high	98.9	Very high	0 Å²	0	18 Å²	18	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-66.5	-40.6	176.9	0	0	0	0	0	111.5	K139 T206 A231 Y236 A237 V238	K139-A234 HydrophobicContact CB-CB 4.15Å; T206-A234 HydrophobicContact CG2-CB 3.91Å; A231-A234 PolarHBondContact O-N 2.88Å; A234-Y236 VanDerWaalsContact C-N 3.32Å; A234-Y236 PolarHBondContact O-N 3.13Å; A234-A237 WeakPolarHBondContact O-CB 3.37Å; A234-A237 PolarHBondContact O-N 2.57Å; A234-V238 WeakPolarHBondContact O-CG2 3.35Å; A234-V238 PolarHBondContact O-N 2.93Å
235	S	98.9	Very high	98.8	Very high	5 Å²	5	18.3 Å²	18.3	4%	0.035	9%	0.086	C	C	.	.	H	α-helix	trans	-60.1	-42.3	175.6	-60.8	0	0	0	0	111.9	W225 A231 V232 V238 Y239	W225-S235 WeakPolarHBondContact CH2-O 3.28Å; A231-S235 VanDerWaalsContact O-CB 3.29Å; A231-S235 WeakPolarHBondContact O-CB 3.18Å; A231-S235 PolarHBondContact O-N 2.84Å; A231-S235 PolarHBondContact O-OG 3.31Å; V232-S235 PolarHBondContact O-N 2.87Å; S235-V238 PolarHBondContact O-N 2.88Å; S235-Y239 PolarHBondContact O-N 3.35Å
236	Y	98.9	Very high	98.8	Very high	18 Å²	18	20.4 Å²	20.4	7%	0.071	11%	0.108	C	C	.	.	H	α-helix	trans	-67	-38.4	177.1	-173.7	-121	0	0	0	111.7	V57 V60 V232 S233 A234 V238 Y239 R240 F254	V57-Y236 HydrophobicContact CB-CD1 4.44Å; V57-Y236 HydrophobicContact CB-CG 4.47Å; V57-Y236 HydrophobicContact CG1-CD1 4.04Å; V57-Y236 HydrophobicContact CG1-CD2 3.89Å; V57-Y236 HydrophobicContact CG1-CG 3.61Å; V57-Y236 HydrophobicContact CG2-CD1 3.98Å; V57-Y236 HydrophobicContact CG2-CG 4.27Å; V60-Y236 HydrophobicContact CG2-CE2 4.01Å; V232-Y236 VanDerWaalsContact O-CB 3.29Å; V232-Y236 WeakPolarHBondContact O-CB 3.35Å; V232-Y236 PolarHBondContact O-N 2.9Å; S233-Y236 PolarHBondContact O-N 2.98Å; A234-Y236 VanDerWaalsContact C-N 3.32Å; A234-Y236 PolarHBondContact O-N 3.13Å; Y236-V238 VanDerWaalsContact C-N 3.35Å; Y236-V238 PolarHBondContact O-N 3.49Å; Y236-Y239 HydrophobicContact CD2-CD1 4.12Å; Y236-Y239 HydrophobicContact CE2-CD1 4.06Å; Y236-Y239 WeakPolarHBondContact O-CB 3.25Å; Y236-Y239 PolarHBondContact O-N 2.87Å; Y236-R240 HydrophobicContact CD1-CG 4.23Å; Y236-R240 HydrophobicContact CD2-CG 4.42Å; Y236-R240 HydrophobicContact CE1-CG 3.98Å; Y236-R240 HydrophobicContact CE2-CG 4.17Å; Y236-R240 HydrophobicContact CG-CG 4.45Å; Y236-R240 WeakPolarHBondContact O-CB 3.29Å; Y236-R240 VanDerWaalsContact O-CG 3.25Å; Y236-R240 WeakPolarHBondContact O-CG 3.36Å; Y236-R240 PolarHBondContact O-N 3.12Å; Y236-F254 AromaticContact CD2-CD1 3.93Å; Y236-F254 HydrophobicContact CD2-CD1 3.93Å; Y236-F254 AromaticContact CD2-CE1 3.82Å; Y236-F254 HydrophobicContact CD2-CE1 3.82Å; Y236-F254 HydrophobicContact CD2-CG 4.43Å; Y236-F254 HydrophobicContact CD2-CZ 4.22Å; Y236-F254 HydrophobicContact CG-CE1 4.36Å
237	A	98.9	Very high	98.8	Very high	3 Å²	3	19.9 Å²	19.9	3%	0.025	11%	0.106	C	C	.	.	H	α-helix	trans	-59.4	-44.7	173.2	0	0	0	0	0	112	I136 K139 S233 A234 R240 V241	I136-A237 HydrophobicContact CG1-CB 4.1Å; K139-A237 HydrophobicContact CD-CB 3.62Å; S233-A237 PolarHBondContact O-N 3.07Å; A234-A237 WeakPolarHBondContact O-CB 3.37Å; A234-A237 PolarHBondContact O-N 2.57Å; A237-R240 PolarHBondContact O-N 3.17Å; A237-V241 WeakPolarHBondContact O-CG2 3.4Å; A237-V241 PolarHBondContact O-N 3.39Å
238	V	98.9	Very high	98.8	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.006	12%	0.119	C	C	.	.	H	α-helix	trans	-62	-44.4	174.5	175.6	0	0	0	0	111.3	I136 L159 F163 T206 W225 A234 S235 Y236 R240 V241 L242	I136-V238 HydrophobicContact CD1-CG2 4.46Å; L159-V238 HydrophobicContact CD1-CG1 4.47Å; L159-V238 HydrophobicContact CD2-CB 4.44Å; L159-V238 HydrophobicContact CD2-CG1 4.01Å; L159-V238 HydrophobicContact CD2-CG2 3.52Å; F163-V238 HydrophobicContact CZ-CG1 4.23Å; T206-V238 HydrophobicContact CG2-CG2 3.74Å; W225-V238 HydrophobicContact CH2-CB 4.44Å; A234-V238 WeakPolarHBondContact O-CG2 3.35Å; A234-V238 PolarHBondContact O-N 2.93Å; S235-V238 PolarHBondContact O-N 2.88Å; Y236-V238 VanDerWaalsContact C-N 3.35Å; Y236-V238 PolarHBondContact O-N 3.49Å; V238-R240 VanDerWaalsContact C-N 3.34Å; V238-R240 PolarHBondContact O-N 2.65Å; V238-V241 PolarHBondContact O-N 2.62Å; V238-L242 HydrophobicContact CG1-CD1 4.44Å; V238-L242 WeakPolarHBondContact O-CG 3.47Å; V238-L242 PolarHBondContact O-N 3.13Å
239	Y	98.9	Very high	98.8	Very high	1 Å²	1	23.4 Å²	23.4	0%	0.004	13%	0.128	C	C	.	.	H	α-helix	trans	-55.6	-48.8	174.8	177.5	-103.8	0	0	0	111.6	V60 W225 S235 Y236 V241 L242 R243 I252 F254	V60-Y239 HydrophobicContact CB-CE1 3.85Å; V60-Y239 HydrophobicContact CG1-CE1 3.9Å; V60-Y239 VanDerWaalsContact CG1-OH 3.24Å; V60-Y239 WeakPolarHBondContact CG1-OH 3.18Å; V60-Y239 HydrophobicContact CG2-CE1 3.83Å; W225-Y239 HydrophobicContact CE3-CD2 4.34Å; W225-Y239 HydrophobicContact CZ3-CD2 4.39Å; S235-Y239 PolarHBondContact O-N 3.35Å; Y236-Y239 HydrophobicContact CD2-CD1 4.12Å; Y236-Y239 HydrophobicContact CE2-CD1 4.06Å; Y236-Y239 WeakPolarHBondContact O-CB 3.25Å; Y236-Y239 PolarHBondContact O-N 2.87Å; Y239-V241 PolarHBondContact O-N 2.64Å; Y239-L242 WeakPolarHBondContact O-CB 3.31Å; Y239-L242 PolarHBondContact O-N 2.85Å; Y239-R243 HydrophobicContact CD1-CG 4.2Å; Y239-R243 HydrophobicContact CE1-CG 3.72Å; Y239-R243 HydrophobicContact CE2-CG 4.2Å; Y239-R243 WeakPolarHBondContact O-CG 3.19Å; Y239-R243 PolarHBondContact O-N 2.75Å; Y239-R243 PolarHBondContact OH-NH1 2.82Å; Y239-I252 HydrophobicContact CD2-CG2 4.18Å; Y239-I252 HydrophobicContact CE2-CB 4.24Å; Y239-I252 HydrophobicContact CE2-CG2 4.06Å; Y239-I252 VanDerWaalsContact CE2-O 3.31Å; Y239-I252 WeakPolarHBondContact CE2-O 3.44Å; Y239-I252 PolarHBondContact OH-O 2.92Å; Y239-F254 HydrophobicContact CD1-CB 4.11Å; Y239-F254 HydrophobicContact CD1-CG 4.37Å; Y239-F254 HydrophobicContact CD2-CB 3.96Å; Y239-F254 HydrophobicContact CD2-CD2 4.14Å; Y239-F254 HydrophobicContact CD2-CG 4.43Å; Y239-F254 HydrophobicContact CE1-CB 4.11Å; Y239-F254 HydrophobicContact CE2-CB 3.95Å; Y239-F254 HydrophobicContact CG-CB 4.03Å; Y239-F254 AromaticContact CG-CD2 3.92Å; Y239-F254 HydrophobicContact CG-CD2 3.92Å; Y239-F254 HydrophobicContact CG-CG 4.16Å
240	R	98.9	Very high	98.8	Very high	99 Å²	99	23.1 Å²	23.1	37%	0.374	13%	0.127	S	C	.	.	H	α-helix	trans	-59.7	-44.1	178.7	-70.8	-60.6	-55.8	-159.6	-0.4	112	Y236 A237 V238 L242 R243 E244	Y236-R240 HydrophobicContact CD1-CG 4.23Å; Y236-R240 HydrophobicContact CD2-CG 4.42Å; Y236-R240 HydrophobicContact CE1-CG 3.98Å; Y236-R240 HydrophobicContact CE2-CG 4.17Å; Y236-R240 HydrophobicContact CG-CG 4.45Å; Y236-R240 WeakPolarHBondContact O-CB 3.29Å; Y236-R240 VanDerWaalsContact O-CG 3.25Å; Y236-R240 WeakPolarHBondContact O-CG 3.36Å; Y236-R240 PolarHBondContact O-N 3.12Å; A237-R240 PolarHBondContact O-N 3.17Å; V238-R240 VanDerWaalsContact C-N 3.34Å; V238-R240 PolarHBondContact O-N 2.65Å; R240-L242 VanDerWaalsContact C-N 3.33Å; R240-L242 PolarHBondContact O-N 3.36Å; R240-R243 PolarHBondContact O-N 3.01Å; R240-E244 IonicContact NE-OE1 2.71Å; R240-E244 IonicContact NH2-OE1 2.67Å; R240-E244 WeakPolarHBondContact O-CB 3.5Å; R240-E244 WeakPolarHBondContact O-CG 3.29Å; R240-E244 PolarHBondContact O-N 3.27Å
241	V	98.9	Very high	98.8	Very high	3 Å²	3	22.2 Å²	22.2	2%	0.018	12%	0.121	C	C	.	.	H	α-helix	trans	-58.9	-44.2	175.4	169.7	0	0	0	0	111.4	A124 V127 I128 K132 I136 A237 V238 Y239 R243 E244 C245	A124-V241 HydrophobicContact CB-CG1 4.01Å; V127-V241 HydrophobicContact CB-CG1 4.26Å; V127-V241 HydrophobicContact CG1-CG1 3.91Å; V127-V241 HydrophobicContact CG1-CG2 4.36Å; I128-V241 HydrophobicContact CD1-CG1 4.22Å; I128-V241 HydrophobicContact CG1-CG1 3.97Å; K132-V241 HydrophobicContact CB-CG2 4.28Å; K132-V241 HydrophobicContact CD-CG2 4.47Å; K132-V241 HydrophobicContact CG-CG2 4.03Å; I136-V241 HydrophobicContact CD1-CG2 4.25Å; A237-V241 WeakPolarHBondContact O-CG2 3.4Å; A237-V241 PolarHBondContact O-N 3.39Å; V238-V241 PolarHBondContact O-N 2.62Å; Y239-V241 PolarHBondContact O-N 2.64Å; V241-R243 VanDerWaalsContact C-N 3.34Å; V241-R243 PolarHBondContact O-N 2.82Å; V241-E244 PolarHBondContact O-N 3.36Å; V241-C245 VanDerWaalsContact O-CB 3.28Å; V241-C245 WeakPolarHBondContact O-CB 3.29Å; V241-C245 PolarHBondContact O-N 2.99Å; V241-C245 PolarHBondContact O-SG 3.04Å
242	L	98.9	Very high	98.8	Very high	2 Å²	2	22.2 Å²	22.2	1%	0.01	12%	0.121	C	C	.	.	H	α-helix	trans	-60	-44.3	176.8	-70.4	169	0	0	0	111.5	L121 A124 F163 V238 Y239 R240 C245 G246 L247 I252	L121-L242 HydrophobicContact CD2-CD2 3.57Å; A124-L242 HydrophobicContact CB-CD2 3.97Å; F163-L242 HydrophobicContact CE2-CD2 3.98Å; F163-L242 HydrophobicContact CZ-CD1 4.34Å; F163-L242 HydrophobicContact CZ-CD2 3.81Å; F163-L242 HydrophobicContact CZ-CG 4.3Å; V238-L242 HydrophobicContact CG1-CD1 4.44Å; V238-L242 WeakPolarHBondContact O-CG 3.47Å; V238-L242 PolarHBondContact O-N 3.13Å; Y239-L242 WeakPolarHBondContact O-CB 3.31Å; Y239-L242 PolarHBondContact O-N 2.85Å; R240-L242 VanDerWaalsContact C-N 3.33Å; R240-L242 PolarHBondContact O-N 3.36Å; L242-C245 PolarHBondContact O-N 3.27Å; L242-G246 PolarHBondContact O-N 3.44Å; L242-L247 HydrophobicContact CB-CB 4.31Å; L242-L247 HydrophobicContact CB-CD2 4.07Å; L242-L247 WeakPolarHBondContact O-CB 3.28Å; L242-L247 PolarHBondContact O-N 2.87Å; L242-I252 HydrophobicContact CD1-CD1 4.2Å
243	R	98.8	Very high	98.8	Very high	43 Å²	43	22.2 Å²	22.2	16%	0.162	12%	0.121	C	C	.	.	H	α-helix	trans	-62.1	-48	176.4	-61.6	-53.4	-57.9	-75.7	-6.1	111.9	G62 D63 Y239 R240 V241 C245 G246 L247	G62-R243 PolarHBondContact O-NH1 2.51Å; D63-R243 IonicContact OD1-CZ 3.12Å; D63-R243 IonicContact OD1-NH1 3.3Å; D63-R243 IonicContact OD1-NH2 3.51Å; D63-R243 PolarHBondContact OD1-NH2 2.84Å; Y239-R243 HydrophobicContact CD1-CG 4.2Å; Y239-R243 HydrophobicContact CE1-CG 3.72Å; Y239-R243 HydrophobicContact CE2-CG 4.2Å; Y239-R243 WeakPolarHBondContact O-CG 3.19Å; Y239-R243 PolarHBondContact O-N 2.75Å; Y239-R243 PolarHBondContact OH-NH1 2.82Å; R240-R243 PolarHBondContact O-N 3.01Å; V241-R243 VanDerWaalsContact C-N 3.34Å; V241-R243 PolarHBondContact O-N 2.82Å; R243-C245 PolarHBondContact O-N 3.01Å; R243-G246 PolarHBondContact O-N 3Å; R243-L247 PolarHBondContact NE-O 2.91Å; R243-L247 VanDerWaalsContact NE-O 3.1Å
244	E	98.6	Very high	98.8	Very high	93 Å²	93	22.1 Å²	22.1	44%	0.435	12%	0.12	S	C	.	.	H	α-helix	trans	-62.4	-27.6	176.9	-71.6	167.7	-161.7	0	0	112.6	R240 V241 G246	R240-E244 IonicContact NE-OE1 2.71Å; R240-E244 IonicContact NH2-OE1 2.67Å; R240-E244 WeakPolarHBondContact O-CB 3.5Å; R240-E244 WeakPolarHBondContact O-CG 3.29Å; R240-E244 PolarHBondContact O-N 3.27Å; V241-E244 PolarHBondContact O-N 3.36Å; E244-G246 PolarHBondContact O-N 3.18Å
245	C	98.6	Very high	98.8	Very high	8 Å²	8	22.1 Å²	22.1	5%	0.054	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	0.5	175.5	-68	0	0	0	0	114	I120 K123 A124 V241 L242 R243	I120-C245 HydrophobicContact CG2-CB 4.28Å; K123-C245 HydrophobicContact CB-CB 4.23Å; K123-C245 HydrophobicContact CD-CB 4.02Å; K123-C245 HydrophobicContact CG-CB 4.12Å; A124-C245 VanDerWaalsContact CA-SG 3.52Å; A124-C245 HydrophobicContact CB-CB 4.21Å; V241-C245 VanDerWaalsContact O-CB 3.28Å; V241-C245 WeakPolarHBondContact O-CB 3.29Å; V241-C245 PolarHBondContact O-N 2.99Å; V241-C245 PolarHBondContact O-SG 3.04Å; L242-C245 PolarHBondContact O-N 3.27Å; R243-C245 PolarHBondContact O-N 3.01Å
246	G	98.3	Very high	98.8	Very high	45 Å²	45	21.9 Å²	21.9	46%	0.464	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	103.9	13.6	172.1	0	0	0	0	0	114.5	I120 L242 R243 E244 P248	I120-G246 WeakPolarHBondContact CD1-O 3.42Å; L242-G246 PolarHBondContact O-N 3.44Å; R243-G246 PolarHBondContact O-N 3Å; E244-G246 PolarHBondContact O-N 3.18Å; G246-P248 WeakPolarHBondContact O-CD 3.28Å
247	L	98.7	Very high	98.8	Very high	10 Å²	10	21 Å²	21	5%	0.052	12%	0.115	C	C	.	.	P	Polyproline II helix	trans	-60.2	117.2	169.9	-173.3	73.1	0	0	0	109.3	W109 I120 L242 R243 I251 I252	W109-L247 HydrophobicContact CZ2-CD1 4.48Å; I120-L247 HydrophobicContact CG2-CB 4.21Å; L242-L247 HydrophobicContact CB-CB 4.31Å; L242-L247 HydrophobicContact CB-CD2 4.07Å; L242-L247 WeakPolarHBondContact O-CB 3.28Å; L242-L247 PolarHBondContact O-N 2.87Å; R243-L247 PolarHBondContact NE-O 2.91Å; R243-L247 VanDerWaalsContact NE-O 3.1Å; L247-I251 HydrophobicContact CD1-CB 3.97Å; L247-I251 HydrophobicContact CD1-CG2 3.8Å; L247-I251 HydrophobicContact CG-CB 4.23Å; L247-I252 HydrophobicContact CD2-CB 3.89Å; L247-I252 HydrophobicContact CD2-CD1 3.67Å; L247-I252 HydrophobicContact CD2-CG1 3.77Å
248	P	98.8	Very high	98.8	Very high	41 Å²	41	23.6 Å²	23.6	27%	0.266	13%	0.129	S	C	.	.	P	Polyproline II helix	trans	-61.9	156.2	-177.7	-20.7	31.8	0	0	0	112	W109 G246 I251	W109-P248 HydrophobicContact CE3-CG 4.04Å; W109-P248 HydrophobicContact CZ3-CG 3.95Å; G246-P248 WeakPolarHBondContact O-CD 3.28Å; P248-I251 HydrophobicContact CB-CG1 3.86Å; P248-I251 HydrophobicContact CG-CG1 4.1Å; P248-I251 WeakPolarHBondContact O-CG1 3.18Å
249	P	98.8	Very high	98.7	Very high	49 Å²	49	25.2 Å²	25.2	32%	0.318	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	151.8	169.8	26.4	-34.4	0	0	0	110.5	D63 I251	D63-P249 WeakPolarHBondContact OD2-CB 3.34Å; P249-I251 PolarHBondContact O-N 3.06Å
250	N	98.8	Very high	98.7	Very high	39 Å²	39	27.7 Å²	27.7	21%	0.209	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.1	5.6	177.9	-56.5	-51.4	0	0	0	116.6	G62 A101 S102 A105 Q253	G62-N250 WeakPolarHBondContact CA-OD1 3.15Å; G62-N250 PolarHBondContact N-OD1 3Å; G62-N250 VanDerWaalsContact N-OD1 3.14Å; A101-N250 WeakPolarHBondContact CB-OD1 3.44Å; S102-N250 WeakPolarHBondContact CA-O 3.14Å; S102-N250 PolarHBondContact OG-O 3.44Å; A105-N250 HydrophobicContact CB-CB 3.68Å; N250-Q253 PolarHBondContact OD1-NE2 2.89Å
251	I	98.9	Very high	98.7	Very high	3 Å²	3	25.8 Å²	25.8	2%	0.015	16%	0.161	C	C	.	.	S	Bend	trans	-83.3	-44.1	173.1	-53.4	-47.5	0	0	0	111.6	A105 W109 A217 V222 V223 L247 P248 P249	A105-I251 HydrophobicContact CB-CD1 4.11Å; W109-I251 HydrophobicContact CB-CD1 3.52Å; W109-I251 HydrophobicContact CD2-CD1 3.96Å; W109-I251 HydrophobicContact CD2-CG1 4.05Å; W109-I251 HydrophobicContact CD2-CG2 4.1Å; W109-I251 HydrophobicContact CE3-CD1 4.42Å; W109-I251 HydrophobicContact CE3-CG1 4.32Å; W109-I251 HydrophobicContact CG-CD1 3.53Å; W109-I251 HydrophobicContact CG-CG1 4.13Å; W109-I251 HydrophobicContact CG-CG2 4.17Å; W109-I251 HydrophobicContact CZ2-CG2 4.21Å; A217-I251 HydrophobicContact CB-CG2 4.06Å; V222-I251 CarbonylContact C-O 3.58Å; V222-I251 WeakPolarHBondContact CA-O 3.32Å; V222-I251 HydrophobicContact CG1-CD1 4.05Å; V223-I251 PolarHBondContact N-O 3.49Å; L247-I251 HydrophobicContact CD1-CB 3.97Å; L247-I251 HydrophobicContact CD1-CG2 3.8Å; L247-I251 HydrophobicContact CG-CB 4.23Å; P248-I251 HydrophobicContact CB-CG1 3.86Å; P248-I251 HydrophobicContact CG-CG1 4.1Å; P248-I251 WeakPolarHBondContact O-CG1 3.18Å; P249-I251 PolarHBondContact O-N 3.06Å
252	I	98.9	Very high	98.7	Very high	2 Å²	2	25.8 Å²	25.8	1%	0.01	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	120.8	168.8	-59.9	177.2	0	0	0	107.2	A213 A217 V223 W225 Y239 L242 L247	A213-I252 HydrophobicContact CB-CD1 4.13Å; A213-I252 HydrophobicContact CB-CG2 4.33Å; A217-I252 HydrophobicContact CB-CD1 3.94Å; A217-I252 HydrophobicContact CB-CG1 3.99Å; V223-I252 HydrophobicContact CB-CG1 4.2Å; V223-I252 WeakPolarHBondContact O-CA 3.2Å; W225-I252 HydrophobicContact CB-CG2 3.92Å; W225-I252 HydrophobicContact CE3-CG2 4.15Å; Y239-I252 HydrophobicContact CD2-CG2 4.18Å; Y239-I252 HydrophobicContact CE2-CB 4.24Å; Y239-I252 HydrophobicContact CE2-CG2 4.06Å; Y239-I252 VanDerWaalsContact CE2-O 3.31Å; Y239-I252 WeakPolarHBondContact CE2-O 3.44Å; Y239-I252 PolarHBondContact OH-O 2.92Å; L242-I252 HydrophobicContact CD1-CD1 4.2Å; L247-I252 HydrophobicContact CD2-CB 3.89Å; L247-I252 HydrophobicContact CD2-CD1 3.67Å; L247-I252 HydrophobicContact CD2-CG1 3.77Å
253	Q	98.9	Very high	98.7	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	128.1	170.8	-47.5	-67.4	18.8	0	0	108.2	V60 V61 A98 S102 V223 L224 W225 N250 L255	V60-Q253 WeakPolarHBondContact O-CA 3.46Å; V60-Q253 PolarHBondContact O-OE1 3.32Å; V61-Q253 VanDerWaalsContact CA-OE1 3.3Å; A98-Q253 HydrophobicContact CB-CB 4.23Å; A98-Q253 HydrophobicContact CB-CG 4.04Å; A98-Q253 PolarHBondContact O-NE2 2.98Å; S102-Q253 WeakPolarHBondContact OG-CG 3.13Å; S102-Q253 PolarHBondContact OG-NE2 3.28Å; S102-Q253 VanDerWaalsContact OG-NE2 3.09Å; V223-Q253 PolarHBondContact O-N 3.44Å; L224-Q253 HydrophobicContact CD1-CG 4.24Å; L224-Q253 HydrophobicContact CG-CB 4.36Å; L224-Q253 HydrophobicContact CG-CG 4.41Å; W225-Q253 PolarHBondContact N-O 3.38Å; N250-Q253 PolarHBondContact OD1-NE2 2.89Å; Q253-L255 HydrophobicContact CB-CD1 3.94Å; Q253-L255 HydrophobicContact CB-CG 3.99Å
254	F	98.9	Very high	98.7	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	104	179.3	-169.7	-97.7	0	0	0	109.1	V57 C59 V60 W225 P227 V232 Y236 Y239 P256	V57-F254 HydrophobicContact CG1-CE1 3.65Å; V57-F254 HydrophobicContact CG1-CZ 4.4Å; C59-F254 CarbonylContact C-O 3.58Å; C59-F254 WeakPolarHBondContact CA-O 3.27Å; V60-F254 HydrophobicContact CB-CB 4.08Å; V60-F254 HydrophobicContact CG2-CB 4.26Å; V60-F254 PolarHBondContact N-O 3.19Å; V60-F254 PolarHBondContact O-N 3.26Å; W225-F254 HydrophobicContact CD2-CD2 4.1Å; W225-F254 HydrophobicContact CD2-CE2 4.26Å; W225-F254 AromaticContact CE3-CD2 3.64Å; W225-F254 HydrophobicContact CE3-CD2 3.64Å; W225-F254 AromaticContact CE3-CE2 3.98Å; W225-F254 HydrophobicContact CE3-CE2 3.98Å; W225-F254 HydrophobicContact CH2-CE2 4.11Å; W225-F254 HydrophobicContact CZ2-CE2 4.36Å; W225-F254 AromaticContact CZ3-CD2 3.9Å; W225-F254 HydrophobicContact CZ3-CD2 3.9Å; W225-F254 AromaticContact CZ3-CE2 3.92Å; W225-F254 HydrophobicContact CZ3-CE2 3.92Å; P227-F254 HydrophobicContact CB-CE2 4.17Å; P227-F254 HydrophobicContact CB-CZ 4.16Å; P227-F254 HydrophobicContact CG-CE1 4.17Å; P227-F254 HydrophobicContact CG-CE2 3.9Å; P227-F254 HydrophobicContact CG-CZ 3.64Å; V232-F254 HydrophobicContact CG2-CE1 4.1Å; V232-F254 HydrophobicContact CG2-CZ 4.03Å; Y236-F254 AromaticContact CD2-CD1 3.93Å; Y236-F254 HydrophobicContact CD2-CD1 3.93Å; Y236-F254 AromaticContact CD2-CE1 3.82Å; Y236-F254 HydrophobicContact CD2-CE1 3.82Å; Y236-F254 HydrophobicContact CD2-CG 4.43Å; Y236-F254 HydrophobicContact CD2-CZ 4.22Å; Y236-F254 HydrophobicContact CG-CE1 4.36Å; Y239-F254 HydrophobicContact CD1-CB 4.11Å; Y239-F254 HydrophobicContact CD1-CG 4.37Å; Y239-F254 HydrophobicContact CD2-CB 3.96Å; Y239-F254 HydrophobicContact CD2-CD2 4.14Å; Y239-F254 HydrophobicContact CD2-CG 4.43Å; Y239-F254 HydrophobicContact CE1-CB 4.11Å; Y239-F254 HydrophobicContact CE2-CB 3.95Å; Y239-F254 HydrophobicContact CG-CB 4.03Å; Y239-F254 AromaticContact CG-CD2 3.92Å; Y239-F254 HydrophobicContact CG-CD2 3.92Å; Y239-F254 HydrophobicContact CG-CG 4.16Å; F254-P256 HydrophobicContact CD1-CG 4.1Å; F254-P256 HydrophobicContact CE1-CG 3.73Å
255	L	98.8	Very high	98.7	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	15%	0.15	C	C	.	.			trans	-129.4	77.4	-167.6	-61.3	173.3	0	0	0	110.9	C59 V61 A90 A98 L224 W225 K226 Q253 A257	C59-L255 HydrophobicContact CB-CD2 4.29Å; V61-L255 HydrophobicContact CG2-CD2 3.91Å; A90-L255 HydrophobicContact CB-CB 4.43Å; A90-L255 HydrophobicContact CB-CD2 4.22Å; A98-L255 HydrophobicContact CB-CD1 3.61Å; A98-L255 HydrophobicContact CB-CD2 4.22Å; A98-L255 HydrophobicContact CB-CG 4.46Å; L224-L255 HydrophobicContact CB-CD1 4.15Å; L224-L255 HydrophobicContact CD2-CD1 3.72Å; L224-L255 HydrophobicContact CG-CD1 3.69Å; W225-L255 PolarHBondContact O-N 3.04Å; K226-L255 WeakPolarHBondContact CA-O 3.44Å; Q253-L255 HydrophobicContact CB-CD1 3.94Å; Q253-L255 HydrophobicContact CB-CG 3.99Å; L255-A257 PolarHBondContact O-N 3.26Å
256	P	98.9	Very high	98.7	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	15%	0.148	C	C	.	.			trans	-52	131.5	161	-19.5	31.1	0	0	0	108.8	F87 Y89 A90 P227 V232 F254	F87-P256 HydrophobicContact CD2-CB 3.58Å; F87-P256 HydrophobicContact CD2-CG 4.26Å; F87-P256 HydrophobicContact CE2-CB 3.92Å; Y89-P256 CarbonylContact C-O 3.41Å; Y89-P256 WeakPolarHBondContact CA-O 3.19Å; A90-P256 PolarHBondContact N-O 3.02Å; P227-P256 HydrophobicContact CG-CB 4.33Å; P227-P256 HydrophobicContact CG-CG 3.97Å; V232-P256 HydrophobicContact CG2-CB 4.43Å; V232-P256 HydrophobicContact CG2-CG 3.89Å; F254-P256 HydrophobicContact CD1-CG 4.1Å; F254-P256 HydrophobicContact CE1-CG 3.73Å
257	A	98.8	Very high	98.7	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	13%	0.127	C	C	.	.			trans	-158.7	155.9	-174.7	0	0	0	0	0	110.1	Y89 A90 I95 K226 L255 G259 F262	Y89-A257 VanDerWaalsContact CD1-CA 3.48Å; A90-A257 HydrophobicContact CB-CB 4.31Å; I95-A257 HydrophobicContact CD1-CB 4.32Å; K226-A257 WeakPolarHBondContact CE-O 3.16Å; K226-A257 HydrophobicContact CG-CB 4.41Å; L255-A257 PolarHBondContact O-N 3.26Å; A257-G259 PolarHBondContact O-N 3.27Å; A257-F262 HydrophobicContact CB-CB 3.94Å; A257-F262 HydrophobicContact CB-CD2 4.06Å; A257-F262 HydrophobicContact CB-CG 4.42Å
258	D	98.6	Very high	98.7	Very high	57 Å²	57	22.8 Å²	22.8	31%	0.305	15%	0.146	S	C	.	.			trans	-59	136.1	167.4	174	65.7	0	0	0	110	Y89 P260 V261 F262	Y89-D258 HydrophobicContact CD2-CB 3.87Å; Y89-D258 HydrophobicContact CE2-CB 3.88Å; D258-P260 WeakPolarHBondContact OD2-CB 3.37Å; D258-P260 WeakPolarHBondContact OD2-CD 3.36Å; D258-V261 HydrophobicContact CB-CB 4.1Å; D258-V261 HydrophobicContact CB-CG2 4.05Å; D258-V261 PolarHBondContact O-N 3.28Å; D258-V261 WeakPolarHBondContact OD2-CG2 3.29Å; D258-V261 PolarHBondContact OD2-N 2.86Å; D258-V261 VanDerWaalsContact OD2-N 3.11Å; D258-F262 WeakPolarHBondContact O-CB 3.46Å; D258-F262 PolarHBondContact O-N 3.45Å
259	G	97.9	Very high	98.8	Very high	35 Å²	35	21.3 Å²	21.3	36%	0.361	14%	0.136	S	C	.	.	H	α-helix	trans	-59.2	-55.5	-173.3	0	0	0	0	0	113.3	A257 F262 G263	A257-G259 PolarHBondContact O-N 3.27Å; G259-F262 PolarHBondContact O-N 3.5Å; G259-G263 PolarHBondContact O-N 2.67Å
260	P	98.4	Very high	98.8	Very high	53 Å²	53	21.4 Å²	21.4	34%	0.344	14%	0.137	S	C	.	.	H	α-helix	trans	-49.7	-53.9	169.8	-29.2	32.5	0	0	0	114	D258 F262 G263 D264	D258-P260 WeakPolarHBondContact OD2-CB 3.37Å; D258-P260 WeakPolarHBondContact OD2-CD 3.36Å; P260-F262 VanDerWaalsContact C-N 3.34Å; P260-F262 PolarHBondContact O-N 3.07Å; P260-G263 PolarHBondContact O-N 3.21Å; P260-D264 WeakPolarHBondContact O-CB 3.38Å; P260-D264 PolarHBondContact O-N 3.42Å
261	V	98.6	Very high	98.8	Very high	58 Å²	58	21 Å²	21	35%	0.352	13%	0.134	S	C	.	.	H	α-helix	trans	-58.5	-45.5	-178.5	173.1	0	0	0	0	111.5	I95 D258 D264 A265	I95-V261 HydrophobicContact CD1-CG1 4.3Å; D258-V261 HydrophobicContact CB-CB 4.1Å; D258-V261 HydrophobicContact CB-CG2 4.05Å; D258-V261 PolarHBondContact O-N 3.28Å; D258-V261 WeakPolarHBondContact OD2-CG2 3.29Å; D258-V261 PolarHBondContact OD2-N 2.86Å; D258-V261 VanDerWaalsContact OD2-N 3.11Å; V261-D264 PolarHBondContact O-N 3.42Å; V261-A265 VanDerWaalsContact O-CB 3.31Å; V261-A265 WeakPolarHBondContact O-CB 3.24Å; V261-A265 PolarHBondContact O-N 3.41Å
262	F	98.9	Very high	98.8	Very high	3 Å²	3	20.9 Å²	20.9	1%	0.013	13%	0.133	C	C	.	.	H	α-helix	trans	-62.7	-47.9	177.8	-175.1	-93.1	0	0	0	112	I95 A198 V200 L224 K226 A257 D258 G259 P260 D264 A265 V266	I95-F262 HydrophobicContact CD1-CB 4.47Å; I95-F262 HydrophobicContact CD1-CD2 4.1Å; I95-F262 HydrophobicContact CG1-CD2 4.45Å; A198-F262 HydrophobicContact CB-CE1 4.05Å; A198-F262 HydrophobicContact CB-CZ 4.27Å; V200-F262 HydrophobicContact CG2-CD1 4.12Å; V200-F262 HydrophobicContact CG2-CE1 3.7Å; L224-F262 HydrophobicContact CB-CE2 4.25Å; L224-F262 HydrophobicContact CB-CZ 4.1Å; K226-F262 HydrophobicContact CB-CD1 3.98Å; K226-F262 HydrophobicContact CB-CD2 3.93Å; K226-F262 HydrophobicContact CB-CE1 3.82Å; K226-F262 HydrophobicContact CB-CE2 3.78Å; K226-F262 HydrophobicContact CB-CG 4.03Å; K226-F262 HydrophobicContact CB-CZ 3.72Å; K226-F262 HydrophobicContact CD-CB 3.88Å; K226-F262 HydrophobicContact CD-CD1 3.84Å; K226-F262 HydrophobicContact CD-CD2 4.38Å; K226-F262 HydrophobicContact CD-CE1 4.49Å; K226-F262 HydrophobicContact CD-CG 3.77Å; K226-F262 HydrophobicContact CG-CD1 4.38Å; K226-F262 HydrophobicContact CG-CD2 4.26Å; K226-F262 HydrophobicContact CG-CG 4.15Å; A257-F262 HydrophobicContact CB-CB 3.94Å; A257-F262 HydrophobicContact CB-CD2 4.06Å; A257-F262 HydrophobicContact CB-CG 4.42Å; D258-F262 WeakPolarHBondContact O-CB 3.46Å; D258-F262 PolarHBondContact O-N 3.45Å; G259-F262 PolarHBondContact O-N 3.5Å; P260-F262 VanDerWaalsContact C-N 3.34Å; P260-F262 PolarHBondContact O-N 3.07Å; F262-D264 VanDerWaalsContact C-N 3.35Å; F262-D264 PolarHBondContact O-N 2.98Å; F262-A265 PolarHBondContact O-N 2.85Å; F262-V266 HydrophobicContact CD1-CG1 4.22Å; F262-V266 HydrophobicContact CD1-CG2 4.42Å; F262-V266 HydrophobicContact CD2-CG1 4.42Å; F262-V266 HydrophobicContact CE1-CG1 3.86Å; F262-V266 HydrophobicContact CE1-CG2 4.29Å; F262-V266 HydrophobicContact CE2-CG1 4.06Å; F262-V266 HydrophobicContact CG-CG1 4.5Å; F262-V266 HydrophobicContact CZ-CG1 3.77Å; F262-V266 WeakPolarHBondContact O-CG1 3.34Å; F262-V266 WeakPolarHBondContact O-CG2 3.5Å; F262-V266 PolarHBondContact O-N 2.81Å
263	G	98.7	Very high	98.8	Very high	3 Å²	3	20.8 Å²	20.8	3%	0.031	13%	0.133	C	C	.	.	H	α-helix	trans	-59.3	-45.6	178.8	0	0	0	0	0	112.2	G259 P260 T267	G259-G263 PolarHBondContact O-N 2.67Å; P260-G263 PolarHBondContact O-N 3.21Å; G263-T267 WeakPolarHBondContact O-CB 3.2Å; G263-T267 VanDerWaalsContact O-CG2 3.29Å; G263-T267 WeakPolarHBondContact O-CG2 3.46Å; G263-T267 PolarHBondContact O-N 2.87Å; G263-T267 PolarHBondContact O-OG1 2.81Å
264	D	98.8	Very high	98.8	Very high	64 Å²	64	20.8 Å²	20.8	34%	0.342	13%	0.133	S	C	.	.	H	α-helix	trans	-65.3	-43.9	179.7	-62.2	-12	0	0	0	111.1	P260 V261 F262 S268 R286 Q290	P260-D264 WeakPolarHBondContact O-CB 3.38Å; P260-D264 PolarHBondContact O-N 3.42Å; V261-D264 PolarHBondContact O-N 3.42Å; F262-D264 VanDerWaalsContact C-N 3.35Å; F262-D264 PolarHBondContact O-N 2.98Å; D264-S268 VanDerWaalsContact O-CB 3.24Å; D264-S268 WeakPolarHBondContact O-CB 3.41Å; D264-S268 PolarHBondContact O-N 2.98Å; D264-S268 VanDerWaalsContact O-N 3.08Å; D264-S268 PolarHBondContact O-OG 3.32Å; D264-R286 IonicContact OD1-CZ 3.98Å; D264-R286 IonicContact OD1-NH2 2.64Å; D264-R286 PolarHBondContact OD1-NH2 2.96Å; D264-R286 IonicContact OD2-NH2 3.93Å; D264-R286 PolarHBondContact OD2-NH2 2.92Å; D264-Q290 PolarHBondContact OD1-NE2 2.82Å
265	A	98.8	Very high	98.8	Very high	2 Å²	2	20.9 Å²	20.9	2%	0.017	13%	0.134	C	C	.	.	H	α-helix	trans	-63.4	-50	177.9	0	0	0	0	0	112.1	K92 I95 V261 F262 S268	K92-A265 HydrophobicContact CG-CB 4.24Å; I95-A265 HydrophobicContact CB-CB 4.24Å; I95-A265 HydrophobicContact CD1-CB 4.14Å; I95-A265 HydrophobicContact CG2-CB 3.73Å; V261-A265 VanDerWaalsContact O-CB 3.31Å; V261-A265 WeakPolarHBondContact O-CB 3.24Å; V261-A265 PolarHBondContact O-N 3.41Å; F262-A265 PolarHBondContact O-N 2.85Å; A265-S268 PolarHBondContact O-N 2.95Å
266	V	98.9	Very high	98.8	Very high	2 Å²	2	21 Å²	21	1%	0.012	13%	0.134	C	C	.	.	H	α-helix	trans	-70.2	-36.6	-176.3	-58.8	0	0	0	0	112.6	I95 F196 A198 L224 F262 S268 S269	I95-V266 HydrophobicContact CG2-CG1 4.39Å; F196-V266 HydrophobicContact CE2-CB 3.95Å; F196-V266 HydrophobicContact CE2-CG1 3.94Å; F196-V266 HydrophobicContact CZ-CB 3.99Å; F196-V266 HydrophobicContact CZ-CG1 4.29Å; A198-V266 HydrophobicContact CB-CB 4.19Å; A198-V266 HydrophobicContact CB-CG1 4.2Å; A198-V266 HydrophobicContact CB-CG2 4Å; L224-V266 HydrophobicContact CD2-CG1 4.43Å; F262-V266 HydrophobicContact CD1-CG1 4.22Å; F262-V266 HydrophobicContact CD1-CG2 4.42Å; F262-V266 HydrophobicContact CD2-CG1 4.42Å; F262-V266 HydrophobicContact CE1-CG1 3.86Å; F262-V266 HydrophobicContact CE1-CG2 4.29Å; F262-V266 HydrophobicContact CE2-CG1 4.06Å; F262-V266 HydrophobicContact CG-CG1 4.5Å; F262-V266 HydrophobicContact CZ-CG1 3.77Å; F262-V266 WeakPolarHBondContact O-CG1 3.34Å; F262-V266 WeakPolarHBondContact O-CG2 3.5Å; F262-V266 PolarHBondContact O-N 2.81Å; V266-S268 VanDerWaalsContact C-N 3.31Å; V266-S269 PolarHBondContact O-N 2.88Å
267	T	98.9	Very high	98.8	Very high	2 Å²	2	21.2 Å²	21.2	1%	0.012	14%	0.135	C	C	.	.	H	α-helix	trans	-78.4	-13.8	178.3	60.3	0	0	0	0	113.4	G263 S269 L272 I275 L287 Q290 V291 N294 Y298	G263-T267 WeakPolarHBondContact O-CB 3.2Å; G263-T267 VanDerWaalsContact O-CG2 3.29Å; G263-T267 WeakPolarHBondContact O-CG2 3.46Å; G263-T267 PolarHBondContact O-N 2.87Å; G263-T267 PolarHBondContact O-OG1 2.81Å; T267-S269 VanDerWaalsContact C-N 3.34Å; T267-L272 HydrophobicContact CG2-CD2 4.21Å; T267-I275 HydrophobicContact CG2-CD1 4.17Å; T267-L287 HydrophobicContact CG2-CD2 4.37Å; T267-Q290 HydrophobicContact CG2-CB 4.01Å; T267-V291 HydrophobicContact CG2-CG2 3.91Å; T267-N294 PolarHBondContact O-ND2 2.68Å; T267-Y298 PolarHBondContact O-OH 3.38Å
268	S	98.8	Very high	98.8	Very high	65 Å²	65	22.1 Å²	22.1	46%	0.455	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-4	172	-57.7	0	0	0	0	113.2	D264 A265 V266 I297	D264-S268 VanDerWaalsContact O-CB 3.24Å; D264-S268 WeakPolarHBondContact O-CB 3.41Å; D264-S268 PolarHBondContact O-N 2.98Å; D264-S268 VanDerWaalsContact O-N 3.08Å; D264-S268 PolarHBondContact O-OG 3.32Å; A265-S268 PolarHBondContact O-N 2.95Å; V266-S268 VanDerWaalsContact C-N 3.31Å; S268-I297 VanDerWaalsContact O-CD1 3.29Å; S268-I297 WeakPolarHBondContact O-CD1 3.45Å
269	S	98.9	Very high	98.7	Very high	10 Å²	10	20.7 Å²	20.7	7%	0.07	14%	0.139	C	C	.	.			trans	-87.1	128.9	-179.3	-172.6	0	0	0	0	111.8	V266 T267 H271 L272 Y298	V266-S269 PolarHBondContact O-N 2.88Å; T267-S269 VanDerWaalsContact C-N 3.34Å; S269-H271 PolarHBondContact O-N 3.39Å; S269-H271 PolarHBondContact OG-N 3.46Å; S269-L272 PolarHBondContact O-N 3.37Å; S269-Y298 WeakPolarHBondContact O-CD1 3.48Å; S269-Y298 VanDerWaalsContact O-CE1 3.29Å; S269-Y298 WeakPolarHBondContact O-CE1 3.17Å
270	P	98.8	Very high	98.7	Very high	52 Å²	52	21.4 Å²	21.4	34%	0.338	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-8.7	175.7	29.1	-37	0	0	0	113.5	I297 R299	P270-I297 WeakPolarHBondContact CA-O 3.28Å; P270-I297 WeakPolarHBondContact CB-O 3.32Å; P270-R299 PolarHBondContact O-N 3.2Å
271	H	98.9	Very high	98.6	Very high	29 Å²	29	19.6 Å²	19.6	13%	0.134	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	4.8	-178.6	-52.5	-55.5	0	0	0	114	L103 G195 F196 S269 A273 R299	L103-H271 HydrophobicContact CD1-CB 3.73Å; L103-H271 WeakPolarHBondContact CD1-CD2 3.45Å; L103-H271 VanDerWaalsContact CD1-CG 3.49Å; L103-H271 HydrophobicContact CD2-CB 3.93Å; L103-H271 HydrophobicContact CG-CB 4.46Å; G195-H271 CarbonylContact C-O 3.56Å; G195-H271 WeakPolarHBondContact CA-O 3.39Å; F196-H271 HydrophobicContact CD1-CB 4.09Å; F196-H271 VanDerWaalsContact CD1-O 3.32Å; F196-H271 WeakPolarHBondContact CD1-O 3.38Å; F196-H271 HydrophobicContact CE1-CB 4.26Å; F196-H271 PolarHBondContact N-O 2.98Å; S269-H271 PolarHBondContact O-N 3.39Å; S269-H271 PolarHBondContact OG-N 3.46Å; H271-A273 PolarHBondContact O-N 3.31Å; H271-R299 PolarHBondContact CE1-NE 3.33Å; H271-R299 PolarHBondContact CE1-NH2 3.05Å; H271-R299 PolarHBondContact ND1-NE 3.04Å
272	L	98.9	Very high	98.6	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.005	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	120.3	173.8	-179	65.2	0	0	0	109.3	F196 A198 T267 S269 G274 I275 V291 Y298 P302	F196-L272 HydrophobicContact CD2-CD1 4.47Å; F196-L272 HydrophobicContact CE1-CB 4.26Å; F196-L272 HydrophobicContact CE2-CD1 3.83Å; F196-L272 HydrophobicContact CZ-CB 4.19Å; F196-L272 HydrophobicContact CZ-CD1 3.86Å; A198-L272 HydrophobicContact CB-CD1 4.27Å; T267-L272 HydrophobicContact CG2-CD2 4.21Å; S269-L272 PolarHBondContact O-N 3.37Å; L272-G274 WeakPolarHBondContact CD1-O 3.38Å; L272-I275 HydrophobicContact CD1-CG1 4.22Å; L272-I275 HydrophobicContact CD2-CD1 4.2Å; L272-I275 HydrophobicContact CD2-CG1 4.16Å; L272-V291 HydrophobicContact CD2-CG2 3.98Å; L272-Y298 HydrophobicContact CB-CD1 4.14Å; L272-Y298 HydrophobicContact CB-CE1 3.84Å; L272-Y298 HydrophobicContact CD2-CE1 4.18Å; L272-P302 HydrophobicContact CD2-CB 4.25Å; L272-P302 HydrophobicContact CD2-CG 4.36Å; L272-P302 HydrophobicContact CG-CB 4.15Å; L272-P302 HydrophobicContact CG-CG 4.35Å; L272-P302 WeakPolarHBondContact O-CG 3.28Å
273	A	98.9	Very high	98.6	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.008	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	-22.2	178.7	0	0	0	0	0	112.5	L193 F196 H271 P302 R303	L193-A273 HydrophobicContact CB-CB 3.76Å; L193-A273 HydrophobicContact CD1-CB 4.36Å; F196-A273 WeakPolarHBondContact O-CB 3.22Å; F196-A273 PolarHBondContact O-N 3.14Å; H271-A273 PolarHBondContact O-N 3.31Å; A273-P302 WeakPolarHBondContact O-CA 3.31Å; A273-R303 PolarHBondContact O-N 3.46Å
274	G	98.9	Very high	98.6	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.8	163.2	173.6	0	0	0	0	0	114.3	F196 V197 A198 L272 R303	F196-G274 PolarHBondContact O-N 2.93Å; V197-G274 CarbonylContact C-O 3.58Å; V197-G274 WeakPolarHBondContact CA-O 3.4Å; A198-G274 PolarHBondContact N-O 2.86Å; L272-G274 WeakPolarHBondContact CD1-O 3.38Å; G274-R303 CarbonylContact C-O 3.52Å; G274-R303 WeakPolarHBondContact CA-O 3.32Å
275	I	98.9	Very high	98.6	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.005	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	124.3	173.8	-58.7	177.7	0	0	0	107.1	A198 T267 L272 F277 L287 V291 R303 L304 A305	A198-I275 HydrophobicContact CB-CG1 4.41Å; A198-I275 CarbonylContact O-C 3.49Å; A198-I275 WeakPolarHBondContact O-CA 3.42Å; T267-I275 HydrophobicContact CG2-CD1 4.17Å; L272-I275 HydrophobicContact CD1-CG1 4.22Å; L272-I275 HydrophobicContact CD2-CD1 4.2Å; L272-I275 HydrophobicContact CD2-CG1 4.16Å; I275-F277 HydrophobicContact CG2-CB 4.05Å; I275-L287 HydrophobicContact CD1-CB 4.14Å; I275-L287 HydrophobicContact CG2-CD1 4.31Å; I275-V291 HydrophobicContact CD1-CG2 3.89Å; I275-R303 PolarHBondContact N-O 3.41Å; I275-L304 HydrophobicContact CB-CG 4.3Å; I275-L304 HydrophobicContact CD1-CG 4.37Å; I275-A305 PolarHBondContact O-N 2.84Å
276	N	98.9	Very high	98.5	Very high	3 Å²	3	32.2 Å²	32.2	2%	0.016	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	101.6	173.5	-159.9	8.9	0	0	0	108.9	V197 A198 A199 V200 L212 Y530 W534	V197-N276 HydrophobicContact CG1-CB 4.2Å; A198-N276 PolarHBondContact O-N 3.32Å; A199-N276 WeakPolarHBondContact CA-O 3.48Å; V200-N276 PolarHBondContact N-O 2.92Å; L212-N276 VanDerWaalsContact CA-ND2 3.31Å; L212-N276 WeakPolarHBondContact CA-ND2 3.44Å; L212-N276 HydrophobicContact CD2-CB 4.27Å; L212-N276 WeakPolarHBondContact CD2-OD1 3.32Å; L212-N276 PolarHBondContact O-ND2 3.2Å; N276-Y530 PolarHBondContact ND2-OH 3.46Å; N276-Y530 PolarHBondContact OD1-OH 2.74Å; N276-W534 HydrophobicContact CB-CH2 3.52Å; N276-W534 HydrophobicContact CB-CZ2 3.66Å; N276-W534 HydrophobicContact CB-CZ3 4.36Å; N276-W534 WeakPolarHBondContact ND2-CZ2 3.39Å; N276-W534 VanDerWaalsContact OD1-CZ2 3.3Å; N276-W534 WeakPolarHBondContact OD1-CZ2 3.26Å
277	F	98.9	Very high	98.5	Very high	5 Å²	5	32.6 Å²	32.6	2%	0.022	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	139.6	-165	177.1	-90.4	0	0	0	111.7	V200 I275 G279 T283 F284 L287 A305 G306 E307	V200-F277 HydrophobicContact CB-CD2 3.8Å; V200-F277 HydrophobicContact CB-CE2 4.45Å; V200-F277 HydrophobicContact CG1-CD2 3.78Å; V200-F277 HydrophobicContact CG1-CE2 3.92Å; I275-F277 HydrophobicContact CG2-CB 4.05Å; F277-G279 VanDerWaalsContact CZ-CA 3.47Å; F277-T283 HydrophobicContact CE2-CG2 3.61Å; F277-T283 HydrophobicContact CZ-CG2 3.85Å; F277-F284 HydrophobicContact CB-CD2 3.94Å; F277-F284 HydrophobicContact CB-CE2 4.16Å; F277-F284 HydrophobicContact CD1-CB 3.83Å; F277-F284 AromaticContact CD1-CD2 3.56Å; F277-F284 HydrophobicContact CD1-CD2 3.56Å; F277-F284 HydrophobicContact CD1-CE2 4.42Å; F277-F284 AromaticContact CD1-CG 3.97Å; F277-F284 HydrophobicContact CD1-CG 3.97Å; F277-F284 HydrophobicContact CE1-CB 3.64Å; F277-F284 HydrophobicContact CE1-CD2 4.26Å; F277-F284 HydrophobicContact CE1-CG 4.28Å; F277-F284 AromaticContact CG-CD2 3.82Å; F277-F284 HydrophobicContact CG-CD2 3.82Å; F277-F284 HydrophobicContact CZ-CB 4.29Å; F277-L287 HydrophobicContact CD2-CD1 3.77Å; F277-L287 HydrophobicContact CE2-CD1 4.1Å; F277-A305 PolarHBondContact N-O 3.36Å; F277-G306 WeakPolarHBondContact O-CA 3.19Å; F277-E307 PolarHBondContact O-N 2.88Å
278	T	98.8	Very high	98.5	Very high	18 Å²	18	38.4 Å²	38.4	11%	0.11	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	130.4	157.3	-57.4	0	0	0	0	109.1	V200 P202 I208 E307	V200-T278 PolarHBondContact O-N 2.99Å; V200-T278 VanDerWaalsContact O-N 3.08Å; P202-T278 HydrophobicContact CB-CG2 4.3Å; P202-T278 HydrophobicContact CG-CG2 3.77Å; I208-T278 HydrophobicContact CD1-CG2 4.48Å; I208-T278 HydrophobicContact CG2-CG2 4.29Å; T278-E307 VanDerWaalsContact CA-O 3.29Å; T278-E307 WeakPolarHBondContact CA-O 3.38Å; T278-E307 HydrophobicContact CG2-CB 4Å
279	G	97.5	Very high	98.5	Very high	27 Å²	27	41.9 Å²	41.9	28%	0.278	22%	0.216	S	C	.	.	S	Bend	trans	164.9	-148.2	-174.3	0	0	0	0	0	112.4	F277 E307 C308	F277-G279 VanDerWaalsContact CZ-CA 3.47Å; G279-E307 PolarHBondContact N-O 2.97Å; G279-C308 CarbonylContact O-C 3.52Å; G279-C308 VanDerWaalsContact O-CA 3.24Å; G279-C308 WeakPolarHBondContact O-CA 3.32Å
280	S	97.2	Very high	98.5	Very high	50 Å²	50	42.6 Å²	42.6	35%	0.35	22%	0.218	S	C	.	.			trans	-81.3	149.1	-174.8	81.8	0	0	0	0	113.6	P282 T283 F284	S280-P282 WeakPolarHBondContact OG-CD 3.46Å; S280-T283 PolarHBondContact O-N 2.98Å; S280-T283 WeakPolarHBondContact OG-CB 3.08Å; S280-T283 PolarHBondContact OG-N 2.75Å; S280-T283 PolarHBondContact OG-OG1 3.33Å; S280-F284 PolarHBondContact O-N 3.04Å
281	V	97.5	Very high	98.5	Very high	15 Å²	15	40.5 Å²	40.5	9%	0.091	21%	0.205	C	C	.	.	H	α-helix	trans	-53.2	-47.6	172.3	179.2	0	0	0	0	112.5	T283 F284 K285 C308 Y469 A518	V281-T283 VanDerWaalsContact C-N 3.33Å; V281-T283 PolarHBondContact O-N 2.91Å; V281-F284 PolarHBondContact O-N 2.88Å; V281-K285 HydrophobicContact CG1-CD 3.91Å; V281-K285 HydrophobicContact CG1-CG 4.22Å; V281-K285 WeakPolarHBondContact O-CB 3.32Å; V281-K285 WeakPolarHBondContact O-CG 3.49Å; V281-K285 PolarHBondContact O-N 2.72Å; V281-C308 HydrophobicContact CG2-CB 3.74Å; V281-C308 VanDerWaalsContact CG2-O 3.3Å; V281-C308 WeakPolarHBondContact CG2-O 3.39Å; V281-Y469 HydrophobicContact CG2-CE1 3.57Å; V281-A518 HydrophobicContact CG2-CB 4.44Å; V281-A518 VanDerWaalsContact CG2-O 3.32Å; V281-A518 WeakPolarHBondContact CG2-O 3.24Å
282	P	97.6	Very high	98.5	Very high	95 Å²	95	42 Å²	42	62%	0.617	22%	0.221	S	C	*	.	H	α-helix	trans	-60	-41	180	-26	36.6	0	0	0	113.2	S280 R286	S280-P282 WeakPolarHBondContact OG-CD 3.46Å; P282-R286 PolarHBondContact O-N 3.19Å
283	T	98.4	Very high	98.5	Very high	65 Å²	65	48.9 Å²	48.9	40%	0.399	25%	0.254	S	S	.	.	H	α-helix	trans	-65.6	-45.5	177.9	-55	0	0	0	0	111.4	F277 S280 V281 K285 R286 L287	F277-T283 HydrophobicContact CE2-CG2 3.61Å; F277-T283 HydrophobicContact CZ-CG2 3.85Å; S280-T283 PolarHBondContact O-N 2.98Å; S280-T283 WeakPolarHBondContact OG-CB 3.08Å; S280-T283 PolarHBondContact OG-N 2.75Å; S280-T283 PolarHBondContact OG-OG1 3.33Å; V281-T283 VanDerWaalsContact C-N 3.33Å; V281-T283 PolarHBondContact O-N 2.91Å; T283-K285 PolarHBondContact O-N 3.28Å; T283-R286 WeakPolarHBondContact O-CB 3.32Å; T283-R286 PolarHBondContact O-N 2.79Å; T283-L287 HydrophobicContact CG2-CD1 4.36Å; T283-L287 WeakPolarHBondContact O-CG 3.37Å; T283-L287 PolarHBondContact O-N 3.24Å
284	F	98.7	Very high	98.5	Very high	15 Å²	15	51.1 Å²	51.1	7%	0.066	27%	0.265	C	S	.	.	H	α-helix	trans	-62.8	-43.5	178.3	-170.6	-123.2	0	0	0	112	F277 S280 V281 R286 L287 W288 L304 C308 T521	F277-F284 HydrophobicContact CB-CD2 3.94Å; F277-F284 HydrophobicContact CB-CE2 4.16Å; F277-F284 HydrophobicContact CD1-CB 3.83Å; F277-F284 AromaticContact CD1-CD2 3.56Å; F277-F284 HydrophobicContact CD1-CD2 3.56Å; F277-F284 HydrophobicContact CD1-CE2 4.42Å; F277-F284 AromaticContact CD1-CG 3.97Å; F277-F284 HydrophobicContact CD1-CG 3.97Å; F277-F284 HydrophobicContact CE1-CB 3.64Å; F277-F284 HydrophobicContact CE1-CD2 4.26Å; F277-F284 HydrophobicContact CE1-CG 4.28Å; F277-F284 AromaticContact CG-CD2 3.82Å; F277-F284 HydrophobicContact CG-CD2 3.82Å; F277-F284 HydrophobicContact CZ-CB 4.29Å; S280-F284 PolarHBondContact O-N 3.04Å; V281-F284 PolarHBondContact O-N 2.88Å; F284-R286 VanDerWaalsContact C-N 3.31Å; F284-R286 PolarHBondContact O-N 3.2Å; F284-L287 PolarHBondContact O-N 2.85Å; F284-W288 HydrophobicContact CD1-CE3 4.31Å; F284-W288 AromaticContact CE1-CE3 3.48Å; F284-W288 HydrophobicContact CE1-CE3 3.48Å; F284-W288 VanDerWaalsContact CE1-CE3 3.48Å; F284-W288 AromaticContact CE1-CZ3 3.61Å; F284-W288 HydrophobicContact CE1-CZ3 3.61Å; F284-W288 HydrophobicContact CE2-CE3 4.29Å; F284-W288 AromaticContact CZ-CE3 3.47Å; F284-W288 HydrophobicContact CZ-CE3 3.47Å; F284-W288 VanDerWaalsContact CZ-CE3 3.47Å; F284-W288 AromaticContact CZ-CZ3 3.51Å; F284-W288 HydrophobicContact CZ-CZ3 3.51Å; F284-W288 WeakPolarHBondContact O-CB 3.33Å; F284-W288 PolarHBondContact O-N 3.03Å; F284-L304 HydrophobicContact CE2-CB 4.23Å; F284-L304 HydrophobicContact CZ-CB 4.12Å; F284-C308 VanDerWaalsContact CB-SG 3.58Å; F284-C308 VanDerWaalsContact CD1-SG 3.52Å; F284-T521 HydrophobicContact CE1-CG2 4.09Å; F284-T521 HydrophobicContact CZ-CG2 3.97Å
285	K	98.6	Very high	98.5	Very high	124 Å²	124	54 Å²	54	54%	0.539	28%	0.28	S	S	.	.	H	α-helix	trans	-61.6	-36.9	174.8	-74.6	-176.6	176.8	177.9	0	112.4	V281 T283 K289	V281-K285 HydrophobicContact CG1-CD 3.91Å; V281-K285 HydrophobicContact CG1-CG 4.22Å; V281-K285 WeakPolarHBondContact O-CB 3.32Å; V281-K285 WeakPolarHBondContact O-CG 3.49Å; V281-K285 PolarHBondContact O-N 2.72Å; T283-K285 PolarHBondContact O-N 3.28Å; K285-K289 WeakPolarHBondContact O-CB 3.46Å; K285-K289 VanDerWaalsContact O-CG 3.26Å; K285-K289 WeakPolarHBondContact O-CG 3.18Å; K285-K289 PolarHBondContact O-N 2.89Å
286	R	98.6	Very high	98.5	Very high	97 Å²	97	61.3 Å²	61.3	37%	0.366	32%	0.319	S	S	.	.	H	α-helix	trans	-61.7	-53.1	174.1	174.6	-177.5	165.5	177.2	-1.4	110.6	D264 P282 T283 F284 W288 K289 Q290	D264-R286 IonicContact OD1-CZ 3.98Å; D264-R286 IonicContact OD1-NH2 2.64Å; D264-R286 PolarHBondContact OD1-NH2 2.96Å; D264-R286 IonicContact OD2-NH2 3.93Å; D264-R286 PolarHBondContact OD2-NH2 2.92Å; P282-R286 PolarHBondContact O-N 3.19Å; T283-R286 WeakPolarHBondContact O-CB 3.32Å; T283-R286 PolarHBondContact O-N 2.79Å; F284-R286 VanDerWaalsContact C-N 3.31Å; F284-R286 PolarHBondContact O-N 3.2Å; R286-W288 VanDerWaalsContact C-N 3.27Å; R286-W288 PolarHBondContact O-N 3.46Å; R286-K289 PolarHBondContact O-N 3.18Å; R286-K289 VanDerWaalsContact O-N 3.15Å; R286-Q290 HydrophobicContact CG-CG 4.48Å; R286-Q290 WeakPolarHBondContact O-CG 3.37Å; R286-Q290 PolarHBondContact O-N 3.35Å
287	L	98.9	Very high	98.5	Very high	10 Å²	10	64.9 Å²	64.9	5%	0.052	34%	0.338	C	S	.	.	H	α-helix	trans	-58.3	-42	179.2	-68.6	170	0	0	0	111.2	T267 I275 F277 T283 F284 K289 Q290 V291	T267-L287 HydrophobicContact CG2-CD2 4.37Å; I275-L287 HydrophobicContact CD1-CB 4.14Å; I275-L287 HydrophobicContact CG2-CD1 4.31Å; F277-L287 HydrophobicContact CD2-CD1 3.77Å; F277-L287 HydrophobicContact CE2-CD1 4.1Å; T283-L287 HydrophobicContact CG2-CD1 4.36Å; T283-L287 WeakPolarHBondContact O-CG 3.37Å; T283-L287 PolarHBondContact O-N 3.24Å; F284-L287 PolarHBondContact O-N 2.85Å; L287-K289 PolarHBondContact O-N 2.99Å; L287-Q290 PolarHBondContact O-N 2.82Å; L287-V291 WeakPolarHBondContact O-CG2 3.4Å; L287-V291 PolarHBondContact O-N 3Å
288	W	98.8	Very high	98.5	Very high	124 Å²	124	65.6 Å²	65.6	47%	0.47	34%	0.34	S	S	.	.	H	α-helix	trans	-60.9	-45.4	176.2	-159.9	-60.3	0	0	0	112.6	F284 R286 Q290 V291 A292 L304 T521	F284-W288 HydrophobicContact CD1-CE3 4.31Å; F284-W288 AromaticContact CE1-CE3 3.48Å; F284-W288 HydrophobicContact CE1-CE3 3.48Å; F284-W288 VanDerWaalsContact CE1-CE3 3.48Å; F284-W288 AromaticContact CE1-CZ3 3.61Å; F284-W288 HydrophobicContact CE1-CZ3 3.61Å; F284-W288 HydrophobicContact CE2-CE3 4.29Å; F284-W288 AromaticContact CZ-CE3 3.47Å; F284-W288 HydrophobicContact CZ-CE3 3.47Å; F284-W288 VanDerWaalsContact CZ-CE3 3.47Å; F284-W288 AromaticContact CZ-CZ3 3.51Å; F284-W288 HydrophobicContact CZ-CZ3 3.51Å; F284-W288 WeakPolarHBondContact O-CB 3.33Å; F284-W288 PolarHBondContact O-N 3.03Å; R286-W288 VanDerWaalsContact C-N 3.27Å; R286-W288 PolarHBondContact O-N 3.46Å; W288-Q290 VanDerWaalsContact C-N 3.35Å; W288-V291 PolarHBondContact O-N 3.19Å; W288-A292 PolarHBondContact O-N 2.92Å; W288-L304 VanDerWaalsContact CA-CD2 3.5Å; W288-L304 HydrophobicContact CB-CD2 3.8Å; W288-L304 HydrophobicContact CD2-CD2 3.64Å; W288-L304 HydrophobicContact CE3-CB 3.86Å; W288-L304 HydrophobicContact CE3-CD2 3.56Å; W288-L304 HydrophobicContact CE3-CG 4.35Å; W288-L304 HydrophobicContact CG-CD2 3.78Å; W288-L304 HydrophobicContact CH2-CB 4.35Å; W288-L304 HydrophobicContact CZ3-CB 3.76Å; W288-L304 HydrophobicContact CZ3-CD2 4.32Å; W288-T521 HydrophobicContact CH2-CG2 4.32Å; W288-T521 HydrophobicContact CZ3-CG2 3.87Å
289	K	98.8	Very high	98.5	Very high	137 Å²	137	73 Å²	73	60%	0.596	37%	0.366	S	S	*	.	H	α-helix	trans	-62.5	-42	176.4	-74.7	173.4	179.8	-174.4	0	111.7	K285 R286 L287 V291 A292 Q293	K285-K289 WeakPolarHBondContact O-CB 3.46Å; K285-K289 VanDerWaalsContact O-CG 3.26Å; K285-K289 WeakPolarHBondContact O-CG 3.18Å; K285-K289 PolarHBondContact O-N 2.89Å; R286-K289 PolarHBondContact O-N 3.18Å; R286-K289 VanDerWaalsContact O-N 3.15Å; L287-K289 PolarHBondContact O-N 2.99Å; K289-V291 VanDerWaalsContact C-N 3.35Å; K289-A292 PolarHBondContact O-N 2.9Å; K289-Q293 WeakPolarHBondContact O-CB 3.47Å; K289-Q293 VanDerWaalsContact O-CG 3.23Å; K289-Q293 WeakPolarHBondContact O-CG 3.34Å; K289-Q293 PolarHBondContact O-N 2.89Å
290	Q	98.9	Very high	98.5	Very high	25 Å²	25	74.8 Å²	74.8	12%	0.117	37%	0.372	C	S	.	.	H	α-helix	trans	-62.5	-43.1	177.1	-71.2	175.2	-44.6	0	0	111.5	D264 T267 R286 L287 W288 A292 Q293 N294	D264-Q290 PolarHBondContact OD1-NE2 2.82Å; T267-Q290 HydrophobicContact CG2-CB 4.01Å; R286-Q290 HydrophobicContact CG-CG 4.48Å; R286-Q290 WeakPolarHBondContact O-CG 3.37Å; R286-Q290 PolarHBondContact O-N 3.35Å; L287-Q290 PolarHBondContact O-N 2.82Å; W288-Q290 VanDerWaalsContact C-N 3.35Å; Q290-A292 PolarHBondContact O-N 2.86Å; Q290-Q293 PolarHBondContact O-N 3.05Å; Q290-N294 WeakPolarHBondContact O-CB 3.36Å; Q290-N294 PolarHBondContact O-N 3.15Å
291	V	98.9	Very high	98.6	Very high	9 Å²	9	80.3 Å²	80.3	6%	0.055	39%	0.39	C	S	.	.	H	α-helix	trans	-60.9	-45.8	173.2	172.4	0	0	0	0	111.2	T267 L272 I275 L287 W288 K289 Q293 N294 I295 Y298 P302 L304	T267-V291 HydrophobicContact CG2-CG2 3.91Å; L272-V291 HydrophobicContact CD2-CG2 3.98Å; I275-V291 HydrophobicContact CD1-CG2 3.89Å; L287-V291 WeakPolarHBondContact O-CG2 3.4Å; L287-V291 PolarHBondContact O-N 3Å; W288-V291 PolarHBondContact O-N 3.19Å; K289-V291 VanDerWaalsContact C-N 3.35Å; V291-Q293 VanDerWaalsContact C-N 3.33Å; V291-Q293 PolarHBondContact O-N 3.01Å; V291-N294 CarbonylContact O-C 3.53Å; V291-N294 PolarHBondContact O-N 3.32Å; V291-I295 PolarHBondContact O-N 3.28Å; V291-Y298 WeakPolarHBondContact CA-OH 3.44Å; V291-Y298 HydrophobicContact CG1-CE2 3.89Å; V291-Y298 WeakPolarHBondContact O-CE2 3.37Å; V291-P302 HydrophobicContact CG1-CB 4.05Å; V291-P302 HydrophobicContact CG1-CG 3.88Å; V291-L304 HydrophobicContact CB-CD1 4.29Å; V291-L304 HydrophobicContact CB-CD2 4.5Å; V291-L304 HydrophobicContact CG1-CD1 3.98Å; V291-L304 HydrophobicContact CG2-CD1 4.14Å; V291-L304 HydrophobicContact CG2-CD2 4.38Å
292	A	98.8	Very high	98.6	Very high	59 Å²	59	80.2 Å²	80.2	49%	0.488	39%	0.39	S	S	.	.	H	α-helix	trans	-62.2	-39.3	178	0	0	0	0	0	112.9	W288 K289 Q290 N294 I295	W288-A292 PolarHBondContact O-N 2.92Å; K289-A292 PolarHBondContact O-N 2.9Å; Q290-A292 PolarHBondContact O-N 2.86Å; A292-N294 VanDerWaalsContact C-N 3.31Å; A292-N294 PolarHBondContact O-N 3.34Å; A292-I295 WeakPolarHBondContact O-CB 3.38Å; A292-I295 PolarHBondContact O-N 3.44Å
293	Q	98.8	Very high	98.7	Very high	146 Å²	146	78.6 Å²	78.6	68%	0.682	37%	0.371	S	S	*	.	H	α-helix	trans	-66.7	-32.2	178.4	-75.1	168.2	-26.5	0	0	112.9	K289 Q290 V291	K289-Q293 WeakPolarHBondContact O-CB 3.47Å; K289-Q293 VanDerWaalsContact O-CG 3.23Å; K289-Q293 WeakPolarHBondContact O-CG 3.34Å; K289-Q293 PolarHBondContact O-N 2.89Å; Q290-Q293 PolarHBondContact O-N 3.05Å; V291-Q293 VanDerWaalsContact C-N 3.33Å; V291-Q293 PolarHBondContact O-N 3.01Å
294	N	98.8	Very high	98.7	Very high	48 Å²	48	76.1 Å²	76.1	26%	0.257	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	17.6	-177.8	-71.3	-12.4	0	0	0	112.7	T267 Q290 V291 A292 D296 I297 Y298	T267-N294 PolarHBondContact O-ND2 2.68Å; Q290-N294 WeakPolarHBondContact O-CB 3.36Å; Q290-N294 PolarHBondContact O-N 3.15Å; V291-N294 CarbonylContact O-C 3.53Å; V291-N294 PolarHBondContact O-N 3.32Å; A292-N294 VanDerWaalsContact C-N 3.31Å; A292-N294 PolarHBondContact O-N 3.34Å; N294-D296 PolarHBondContact O-N 2.84Å; N294-D296 VanDerWaalsContact O-N 3.08Å; N294-I297 HydrophobicContact CB-CD1 4.19Å; N294-I297 HydrophobicContact CB-CG1 4Å; N294-I297 WeakPolarHBondContact O-CG1 3.31Å; N294-I297 PolarHBondContact O-N 2.78Å; N294-I297 VanDerWaalsContact O-N 3.12Å; N294-Y298 HydrophobicContact CB-CE2 4.01Å; N294-Y298 WeakPolarHBondContact CB-OH 3.26Å; N294-Y298 VanDerWaalsContact O-CD2 3.26Å; N294-Y298 WeakPolarHBondContact O-CD2 3.27Å; N294-Y298 WeakPolarHBondContact O-CE2 3.45Å
295	I	98.6	Very high	98.7	Very high	60 Å²	60	75.5 Å²	75.5	31%	0.308	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-57.3	-33.1	-169.9	-160.2	61.7	0	0	0	113.5	V291 A292 I297 Y298 F301	V291-I295 PolarHBondContact O-N 3.28Å; A292-I295 WeakPolarHBondContact O-CB 3.38Å; A292-I295 PolarHBondContact O-N 3.44Å; I295-I297 VanDerWaalsContact C-N 3.33Å; I295-I297 PolarHBondContact O-N 3.11Å; I295-Y298 HydrophobicContact CD1-CD2 4.2Å; I295-F301 HydrophobicContact CD1-CD1 3.74Å; I295-F301 HydrophobicContact CD1-CE1 4.14Å; I295-F301 HydrophobicContact CG1-CD1 4.22Å; I295-F301 HydrophobicContact CG1-CE1 4.1Å
296	D	98.7	Very high	98.7	Very high	155 Å²	155	69.6 Å²	69.6	83%	0.829	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-73.7	-19.4	-176.1	-61.9	-42.5	0	0	0	114.1	N294	N294-D296 PolarHBondContact O-N 2.84Å; N294-D296 VanDerWaalsContact O-N 3.08Å
297	I	98.6	Very high	98.7	Very high	78 Å²	78	65.9 Å²	65.9	40%	0.4	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-86.7	-18.3	-179.3	66.7	154.7	0	0	0	112.6	S268 P270 N294 I295	S268-I297 VanDerWaalsContact O-CD1 3.29Å; S268-I297 WeakPolarHBondContact O-CD1 3.45Å; P270-I297 WeakPolarHBondContact CA-O 3.28Å; P270-I297 WeakPolarHBondContact CB-O 3.32Å; N294-I297 HydrophobicContact CB-CD1 4.19Å; N294-I297 HydrophobicContact CB-CG1 4Å; N294-I297 WeakPolarHBondContact O-CG1 3.31Å; N294-I297 PolarHBondContact O-N 2.78Å; N294-I297 VanDerWaalsContact O-N 3.12Å; I295-I297 VanDerWaalsContact C-N 3.33Å; I295-I297 PolarHBondContact O-N 3.11Å
298	Y	98.8	Very high	98.5	Very high	20 Å²	20	65.5 Å²	65.5	8%	0.078	31%	0.313	C	S	.	.			trans	-79.3	140.7	-172.7	-55.3	-60.6	0	0	0	112.3	T267 S269 L272 V291 N294 I295 T300 P302	T267-Y298 PolarHBondContact O-OH 3.38Å; S269-Y298 WeakPolarHBondContact O-CD1 3.48Å; S269-Y298 VanDerWaalsContact O-CE1 3.29Å; S269-Y298 WeakPolarHBondContact O-CE1 3.17Å; L272-Y298 HydrophobicContact CB-CD1 4.14Å; L272-Y298 HydrophobicContact CB-CE1 3.84Å; L272-Y298 HydrophobicContact CD2-CE1 4.18Å; V291-Y298 WeakPolarHBondContact CA-OH 3.44Å; V291-Y298 HydrophobicContact CG1-CE2 3.89Å; V291-Y298 WeakPolarHBondContact O-CE2 3.37Å; N294-Y298 HydrophobicContact CB-CE2 4.01Å; N294-Y298 WeakPolarHBondContact CB-OH 3.26Å; N294-Y298 VanDerWaalsContact O-CD2 3.26Å; N294-Y298 WeakPolarHBondContact O-CD2 3.27Å; N294-Y298 WeakPolarHBondContact O-CE2 3.45Å; I295-Y298 HydrophobicContact CD1-CD2 4.2Å; Y298-T300 WeakPolarHBondContact CB-O 3.21Å; Y298-T300 PolarHBondContact O-N 3Å; Y298-P302 HydrophobicContact CD1-CG 3.97Å; Y298-P302 HydrophobicContact CD2-CG 3.55Å; Y298-P302 HydrophobicContact CE1-CG 4.12Å; Y298-P302 HydrophobicContact CE2-CG 3.73Å; Y298-P302 HydrophobicContact CG-CG 3.68Å
299	R	98.4	Very high	98.2	Very high	173 Å²	173	59.9 Å²	59.9	65%	0.653	29%	0.294	S	S	*	.	S	Bend	trans	-66.5	-24.8	172.2	-67.6	-174.9	174.2	-174	-4	113.4	P270 H271	P270-R299 PolarHBondContact O-N 3.2Å; H271-R299 PolarHBondContact CE1-NE 3.33Å; H271-R299 PolarHBondContact CE1-NH2 3.05Å; H271-R299 PolarHBondContact ND1-NE 3.04Å
300	T	98.3	Very high	98.1	Very high	66 Å²	66	53.5 Å²	53.5	41%	0.405	27%	0.267	S	S	.	.	S	Bend	trans	-150	163.2	178	-164.5	0	0	0	0	109.2	Y298 P302	Y298-T300 WeakPolarHBondContact CB-O 3.21Å; Y298-T300 PolarHBondContact O-N 3Å; T300-P302 WeakPolarHBondContact O-CD 3.34Å
301	F	98.8	Very high	98.1	Very high	165 Å²	165	52.4 Å²	52.4	72%	0.724	26%	0.262	S	S	*	.			trans	-70.3	114.6	177.9	-65	-79.7	0	0	0	110.5	I295 R303	I295-F301 HydrophobicContact CD1-CD1 3.74Å; I295-F301 HydrophobicContact CD1-CE1 4.14Å; I295-F301 HydrophobicContact CG1-CD1 4.22Å; I295-F301 HydrophobicContact CG1-CE1 4.1Å; F301-R303 PolarHBondContact O-N 3.14Å
302	P	98.9	Very high	98.1	Very high	14 Å²	14	52.1 Å²	52.1	9%	0.091	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-62.8	136.6	-179	-22.2	34.4	0	0	0	111.6	L272 A273 V291 Y298 T300 L304	L272-P302 HydrophobicContact CD2-CB 4.25Å; L272-P302 HydrophobicContact CD2-CG 4.36Å; L272-P302 HydrophobicContact CG-CB 4.15Å; L272-P302 HydrophobicContact CG-CG 4.35Å; L272-P302 WeakPolarHBondContact O-CG 3.28Å; A273-P302 WeakPolarHBondContact O-CA 3.31Å; V291-P302 HydrophobicContact CG1-CB 4.05Å; V291-P302 HydrophobicContact CG1-CG 3.88Å; Y298-P302 HydrophobicContact CD1-CG 3.97Å; Y298-P302 HydrophobicContact CD2-CG 3.55Å; Y298-P302 HydrophobicContact CE1-CG 4.12Å; Y298-P302 HydrophobicContact CE2-CG 3.73Å; Y298-P302 HydrophobicContact CG-CG 3.68Å; T300-P302 WeakPolarHBondContact O-CD 3.34Å; P302-L304 HydrophobicContact CB-CD1 4.24Å; P302-L304 WeakPolarHBondContact O-CD1 3.46Å
303	R	98.9	Very high	98.1	Very high	60 Å²	60	49.3 Å²	49.3	23%	0.226	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	117.8	176.8	-63.3	-175.4	-177.6	-172.8	5.2	110.6	A273 G274 I275 F301 L532 R533 T535	A273-R303 PolarHBondContact O-N 3.46Å; G274-R303 CarbonylContact C-O 3.52Å; G274-R303 WeakPolarHBondContact CA-O 3.32Å; I275-R303 PolarHBondContact N-O 3.41Å; F301-R303 PolarHBondContact O-N 3.14Å; R303-L532 PolarHBondContact NH1-O 3.32Å; R303-R533 WeakPolarHBondContact CD-O 3.41Å; R303-R533 PolarHBondContact NH1-O 2.78Å; R303-T535 VanDerWaalsContact CZ-O 3.25Å; R303-T535 PolarHBondContact NH1-O 3.35Å; R303-T535 PolarHBondContact NH2-O 2.96Å
304	L	98.8	Very high	98.1	Very high	13 Å²	13	42.3 Å²	42.3	7%	0.068	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	123.2	175.4	-74.8	70.2	0	0	0	109.1	I275 F284 W288 V291 P302	I275-L304 HydrophobicContact CB-CG 4.3Å; I275-L304 HydrophobicContact CD1-CG 4.37Å; F284-L304 HydrophobicContact CE2-CB 4.23Å; F284-L304 HydrophobicContact CZ-CB 4.12Å; W288-L304 VanDerWaalsContact CA-CD2 3.5Å; W288-L304 HydrophobicContact CB-CD2 3.8Å; W288-L304 HydrophobicContact CD2-CD2 3.64Å; W288-L304 HydrophobicContact CE3-CB 3.86Å; W288-L304 HydrophobicContact CE3-CD2 3.56Å; W288-L304 HydrophobicContact CE3-CG 4.35Å; W288-L304 HydrophobicContact CG-CD2 3.78Å; W288-L304 HydrophobicContact CH2-CB 4.35Å; W288-L304 HydrophobicContact CZ3-CB 3.76Å; W288-L304 HydrophobicContact CZ3-CD2 4.32Å; V291-L304 HydrophobicContact CB-CD1 4.29Å; V291-L304 HydrophobicContact CB-CD2 4.5Å; V291-L304 HydrophobicContact CG1-CD1 3.98Å; V291-L304 HydrophobicContact CG2-CD1 4.14Å; V291-L304 HydrophobicContact CG2-CD2 4.38Å; P302-L304 HydrophobicContact CB-CD1 4.24Å; P302-L304 WeakPolarHBondContact O-CD1 3.46Å
305	A	98.8	Very high	98.1	Very high	2 Å²	2	40 Å²	40	2%	0.017	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	128.4	168.4	0	0	0	0	0	107.6	I275 F277 D523 W534	I275-A305 PolarHBondContact O-N 2.84Å; F277-A305 PolarHBondContact N-O 3.36Å; A305-D523 WeakPolarHBondContact CA-OD2 3.32Å; A305-D523 VanDerWaalsContact CB-OD2 3.25Å; A305-D523 WeakPolarHBondContact CB-OD2 3.36Å; A305-W534 HydrophobicContact CB-CH2 3.77Å; A305-W534 HydrophobicContact CB-CZ2 3.69Å
306	G	98.3	Very high	98.1	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.01	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	124.8	-172.7	0	0	0	0	0	112.6	F277 G520 T521	F277-G306 WeakPolarHBondContact O-CA 3.19Å; G306-G520 CarbonylContact O-C 3.59Å; G306-G520 WeakPolarHBondContact O-CA 3.41Å; G306-T521 PolarHBondContact N-OG1 3.04Å; G306-T521 PolarHBondContact O-N 3.49Å; G306-T521 PolarHBondContact O-OG1 3.3Å
307	E	98.2	Very high	98.1	Very high	18 Å²	18	30.5 Å²	30.5	8%	0.084	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	122	166.7	-66.5	-65.5	139.9	0	0	108.7	F277 T278 G279 G514	F277-E307 PolarHBondContact O-N 2.88Å; T278-E307 VanDerWaalsContact CA-O 3.29Å; T278-E307 WeakPolarHBondContact CA-O 3.38Å; T278-E307 HydrophobicContact CG2-CB 4Å; G279-E307 PolarHBondContact N-O 2.97Å; E307-G514 WeakPolarHBondContact OE2-CA 3.38Å
308	C	95.7	Very high	98.1	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.014	13%	0.133	C	C	.	.			trans	-125.4	24.8	-158.5	-59.7	0	0	0	0	115.3	G279 V281 F284 A518 S519	G279-C308 CarbonylContact O-C 3.52Å; G279-C308 VanDerWaalsContact O-CA 3.24Å; G279-C308 WeakPolarHBondContact O-CA 3.32Å; V281-C308 HydrophobicContact CG2-CB 3.74Å; V281-C308 VanDerWaalsContact CG2-O 3.3Å; V281-C308 WeakPolarHBondContact CG2-O 3.39Å; F284-C308 VanDerWaalsContact CB-SG 3.58Å; F284-C308 VanDerWaalsContact CD1-SG 3.52Å; C308-A518 WeakPolarHBondContact CB-O 3.29Å; C308-S519 PolarHBondContact N-O 2.85Å
309	G	92.2	Very high	98.1	Very high	7 Å²	7	29.3 Å²	29.3	7%	0.072	14%	0.142	C	C	.	.			trans	84.1	-174.6	176.9	0	0	0	0	0	114.4	E440 S519	G309-E440 VanDerWaalsContact CA-OE1 3.32Å; G309-E440 WeakPolarHBondContact CA-OE1 3.23Å; G309-S519 WeakPolarHBondContact O-CA 3.19Å; G309-S519 VanDerWaalsContact O-CB 3.26Å; G309-S519 WeakPolarHBondContact O-CB 3.39Å; G309-S519 PolarHBondContact O-OG 3.45Å
310	G	96.7	Very high	98.1	Very high	2 Å²	2	21.7 Å²	21.7	2%	0.021	12%	0.116	C	C	.	.			trans	-161.4	162.5	-173.4	0	0	0	0	0	115.4	E440	G310-E440 PolarHBondContact N-OE1 3.47Å; G310-E440 WeakPolarHBondContact O-CG 3.49Å
311	K	98.4	Very high	98.2	Very high	3 Å²	3	21.7 Å²	21.7	1%	0.013	11%	0.114	C	C	.	.			trans	-120.2	76.4	165.9	-168.8	73.5	-176.2	-178.1	0	109.2	S345 R346 I436 M437 E439 S467 Y469	K311-S345 VanDerWaalsContact CD-OG 3.32Å; K311-S345 WeakPolarHBondContact CD-OG 3.49Å; K311-S345 VanDerWaalsContact CE-OG 3.32Å; K311-S345 WeakPolarHBondContact CE-OG 3.48Å; K311-R346 HydrophobicContact CG-CG 4.31Å; K311-R346 PolarHBondContact O-NE 3.21Å; K311-R346 PolarHBondContact O-NH2 2.62Å; K311-R346 VanDerWaalsContact O-NH2 3.14Å; K311-I436 WeakPolarHBondContact CE-O 3.34Å; K311-I436 PolarHBondContact NZ-O 3.26Å; K311-M437 WeakPolarHBondContact CE-O 3.41Å; K311-M437 WeakPolarHBondContact CG-O 3.44Å; K311-E439 VanDerWaalsContact CD-O 3.26Å; K311-E439 WeakPolarHBondContact CD-O 3.4Å; K311-E439 WeakPolarHBondContact CE-O 3.38Å; K311-E439 PolarHBondContact NZ-O 2.81Å; K311-S467 WeakPolarHBondContact CB-OG 3.33Å; K311-Y469 HydrophobicContact CB-CD2 3.85Å; K311-Y469 HydrophobicContact CB-CG 4.43Å
312	N	98.8	Very high	98.1	Very high	2 Å²	2	14.6 Å²	14.6	1%	0.011	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	148.6	-165.9	-43.6	-76.2	0	0	0	111.7	C341 S342 A343 S345 R346 T472	N312-C341 PolarHBondContact ND2-O 3.08Å; N312-C341 PolarHBondContact OD1-O 3.06Å; N312-S342 VanDerWaalsContact ND2-CA 3.34Å; N312-S342 WeakPolarHBondContact ND2-CA 3.46Å; N312-A343 WeakPolarHBondContact CB-O 3.5Å; N312-A343 PolarHBondContact ND2-N 3.1Å; N312-A343 PolarHBondContact ND2-O 2.91Å; N312-S345 PolarHBondContact O-N 3.41Å; N312-S345 VanDerWaalsContact O-N 3.13Å; N312-R346 VanDerWaalsContact O-CG 3.27Å; N312-R346 WeakPolarHBondContact O-CG 3.18Å; N312-R346 PolarHBondContact O-N 2.83Å; N312-T472 WeakPolarHBondContact CA-O 3.39Å; N312-T472 VanDerWaalsContact CB-O 3.31Å; N312-T472 WeakPolarHBondContact CB-O 3.32Å; N312-T472 WeakPolarHBondContact CB-OG1 3.16Å; N312-T472 PolarHBondContact OD1-N 2.92Å; N312-T472 PolarHBondContact OD1-O 2.76Å; N312-T472 PolarHBondContact OD1-OG1 2.85Å
313	F	98.9	Very high	98.1	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	147.4	-173.8	64.6	-91	0	0	0	113.3	F315 R346 Y348 V463 G473 S474 L490 A493 A494	F313-F315 HydrophobicContact CD2-CB 4.26Å; F313-R346 WeakPolarHBondContact CA-O 3.49Å; F313-R346 HydrophobicContact CB-CG 4.02Å; F313-Y348 HydrophobicContact CB-CD2 4.44Å; F313-Y348 HydrophobicContact CB-CE2 4.15Å; F313-V463 HydrophobicContact CB-CG1 4.21Å; F313-V463 HydrophobicContact CD1-CG1 3.71Å; F313-V463 HydrophobicContact CD2-CG1 3.6Å; F313-V463 HydrophobicContact CE1-CG1 3.86Å; F313-V463 HydrophobicContact CE2-CG1 3.79Å; F313-V463 HydrophobicContact CG-CG1 3.55Å; F313-V463 HydrophobicContact CZ-CG1 3.9Å; F313-G473 CarbonylContact O-C 3.02Å; F313-G473 VanDerWaalsContact O-CA 3.29Å; F313-G473 WeakPolarHBondContact O-CA 3.19Å; F313-S474 PolarHBondContact O-N 2.86Å; F313-L490 HydrophobicContact CE2-CD1 3.75Å; F313-L490 HydrophobicContact CZ-CB 4.48Å; F313-L490 HydrophobicContact CZ-CD1 3.88Å; F313-L490 HydrophobicContact CZ-CD2 4.44Å; F313-A493 HydrophobicContact CE1-CB 3.98Å; F313-A493 HydrophobicContact CZ-CB 4.31Å; F313-A494 HydrophobicContact CE1-CB 4.23Å; F313-A494 HydrophobicContact CZ-CB 4.37Å
314	H	98.9	Very high	98.1	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	119.1	155.8	-74	-173.1	0	0	0	108.2	T329 S332 R346 M347 Y348 F476 S503	H314-T329 PolarHBondContact ND1-OG1 3.24Å; H314-S332 VanDerWaalsContact CE1-CB 3.5Å; H314-S332 WeakPolarHBondContact CE1-CB 3.34Å; H314-S332 PolarHBondContact NE2-OG 3.06Å; H314-R346 PolarHBondContact N-O 2.97Å; H314-M347 HydrophobicContact CB-CG 4.38Å; H314-M347 CarbonylContact O-C 3.58Å; H314-M347 VanDerWaalsContact O-CA 3.29Å; H314-M347 WeakPolarHBondContact O-CA 3.33Å; H314-Y348 PolarHBondContact O-N 3.49Å; H314-F476 HydrophobicContact CB-CE2 4.21Å; H314-F476 AromaticContact CG-CE2 3.84Å; H314-F476 AromaticContact ND1-CE2 3.7Å; H314-S503 PolarHBondContact NE2-N 3.33Å; H314-S503 PolarHBondContact NE2-OG 2.87Å
315	F	98.9	Very high	98.1	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	130	171.5	173	-89.9	0	0	0	108.9	F313 H317 Y451 V459 L460 V463 S474 V475 F476	F313-F315 HydrophobicContact CD2-CB 4.26Å; F315-H317 HydrophobicContact CE1-CB 4.39Å; F315-Y451 HydrophobicContact CE2-CE1 4.2Å; F315-V459 HydrophobicContact CD2-CG1 4.15Å; F315-V459 HydrophobicContact CE2-CB 4.19Å; F315-V459 HydrophobicContact CE2-CG1 3.85Å; F315-L460 HydrophobicContact CD1-CD2 3.86Å; F315-L460 HydrophobicContact CD2-CD2 4.03Å; F315-L460 HydrophobicContact CE1-CD2 3.67Å; F315-L460 HydrophobicContact CE1-CG 4.31Å; F315-L460 HydrophobicContact CE2-CD2 3.85Å; F315-L460 HydrophobicContact CE2-CG 4.12Å; F315-L460 HydrophobicContact CG-CD2 4.02Å; F315-L460 HydrophobicContact CZ-CD2 3.65Å; F315-L460 HydrophobicContact CZ-CG 3.88Å; F315-V463 HydrophobicContact CD2-CG2 4.21Å; F315-S474 PolarHBondContact N-O 2.9Å; F315-V475 HydrophobicContact CB-CG2 4.26Å; F315-V475 HydrophobicContact CD1-CG1 4.12Å; F315-V475 HydrophobicContact CD1-CG2 4.07Å; F315-V475 CarbonylContact O-C 3.53Å; F315-V475 WeakPolarHBondContact O-CA 3.45Å; F315-F476 PolarHBondContact O-N 2.85Å
316	V	98.9	Very high	98.1	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	130.8	-178.1	-175.6	0	0	0	0	108.3	A320 V325 M347 Y348 V349 P350 I357 Y451	V316-A320 HydrophobicContact CG1-CB 3.69Å; V316-V325 HydrophobicContact CG1-CG1 4.32Å; V316-V325 HydrophobicContact CG1-CG2 3.88Å; V316-V325 HydrophobicContact CG2-CG1 3.62Å; V316-V325 HydrophobicContact CG2-CG2 4.1Å; V316-M347 HydrophobicContact CG2-CE 3.57Å; V316-Y348 PolarHBondContact N-O 2.89Å; V316-V349 HydrophobicContact CB-CG2 4.42Å; V316-P350 VanDerWaalsContact O-CD 3.28Å; V316-P350 WeakPolarHBondContact O-CD 3.07Å; V316-I357 HydrophobicContact CG1-CD1 4.16Å; V316-Y451 PolarHBondContact O-OH 3.12Å
317	H	98.8	Very high	98.1	Very high	15 Å²	15	22 Å²	22	7%	0.069	12%	0.121	C	C	.	.			trans	-98.1	159.5	167.4	-177.3	-103.9	0	0	0	110.3	F315 S319 A320 F476 A477 V482	F315-H317 HydrophobicContact CE1-CB 4.39Å; H317-S319 PolarHBondContact ND1-N 3.1Å; H317-S319 VanDerWaalsContact ND1-N 3.17Å; H317-S319 PolarHBondContact ND1-OG 3.08Å; H317-S319 PolarHBondContact O-N 2.92Å; H317-S319 VanDerWaalsContact O-N 3.13Å; H317-A320 WeakPolarHBondContact O-CB 3.44Å; H317-A320 PolarHBondContact O-N 3.29Å; H317-F476 PolarHBondContact N-O 3.48Å; H317-A477 HydrophobicContact CB-CB 3.82Å; H317-V482 HydrophobicContact CB-CG1 4.07Å
318	S	98.4	Very high	98.2	Very high	35 Å²	35	21.6 Å²	21.6	25%	0.245	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-19.6	-179.2	54.4	0	0	0	0	113.9	A320 E453	S318-A320 VanDerWaalsContact C-N 3.3Å; S318-E453 WeakPolarHBondContact CB-OE1 3.35Å; S318-E453 VanDerWaalsContact OG-CD 3.3Å; S318-E453 PolarHBondContact OG-OE1 3.42Å
319	S	98.6	Very high	98.3	Very high	37 Å²	37	21.5 Å²	21.5	26%	0.259	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	3.9	173.5	68.7	0	0	0	0	114.7	H317 H478 D479	H317-S319 PolarHBondContact ND1-N 3.1Å; H317-S319 VanDerWaalsContact ND1-N 3.17Å; H317-S319 PolarHBondContact ND1-OG 3.08Å; H317-S319 PolarHBondContact O-N 2.92Å; H317-S319 VanDerWaalsContact O-N 3.13Å; S319-H478 WeakPolarHBondContact O-CB 3.45Å; S319-H478 PolarHBondContact O-N 2.87Å; S319-H478 PolarHBondContact O-ND1 2.83Å; S319-H478 PolarHBondContact OG-N 2.91Å; S319-H478 VanDerWaalsContact OG-N 3.13Å; S319-D479 PolarHBondContact OG-N 3.06Å; S319-D479 VanDerWaalsContact OG-N 3.12Å
320	A	98.7	Very high	98.7	Very high	14 Å²	14	21.5 Å²	21.5	12%	0.116	12%	0.12	C	C	.	.	S	Bend	trans	-68.1	148.8	-179.8	0	0	0	0	0	112.8	V316 H317 S318 V322 V325 F476	V316-A320 HydrophobicContact CG1-CB 3.69Å; H317-A320 WeakPolarHBondContact O-CB 3.44Å; H317-A320 PolarHBondContact O-N 3.29Å; S318-A320 VanDerWaalsContact C-N 3.3Å; A320-V322 PolarHBondContact O-N 2.99Å; A320-V325 HydrophobicContact CB-CG2 3.79Å; A320-F476 HydrophobicContact CB-CB 3.84Å; A320-F476 WeakPolarHBondContact CB-O 3.42Å
321	D	98.7	Very high	98.8	Very high	65 Å²	65	28 Å²	28	35%	0.348	14%	0.144	S	C	.	.			trans	-70.4	108.7	163.2	178.3	-107.5	0	0	0	110.3	R323 S324 V325	D321-R323 PolarHBondContact O-N 3.47Å; D321-R323 PolarHBondContact OD1-N 2.79Å; D321-S324 PolarHBondContact O-N 3.31Å; D321-S324 WeakPolarHBondContact OD1-CB 3.36Å; D321-S324 PolarHBondContact OD1-N 3.49Å; D321-S324 PolarHBondContact OD1-OG 3.21Å; D321-V325 WeakPolarHBondContact O-CG2 3.4Å; D321-V325 PolarHBondContact O-N 3.47Å
322	V	98.6	Very high	98.8	Very high	17 Å²	17	27.9 Å²	27.9	10%	0.103	14%	0.144	C	C	.	.	H	α-helix	trans	-56.6	-39.2	-176.6	168.8	0	0	0	0	111.8	A320 V325 V326 Q356 I357	A320-V322 PolarHBondContact O-N 2.99Å; V322-V325 WeakPolarHBondContact O-CB 3.2Å; V322-V325 PolarHBondContact O-N 3.26Å; V322-V326 HydrophobicContact CG1-CG2 4.3Å; V322-V326 VanDerWaalsContact O-CG2 3.23Å; V322-V326 WeakPolarHBondContact O-CG2 3.34Å; V322-V326 PolarHBondContact O-N 2.85Å; V322-Q356 HydrophobicContact CG1-CG 4.02Å; V322-I357 HydrophobicContact CB-CG1 4.47Å; V322-I357 HydrophobicContact CG1-CG1 3.77Å; V322-I357 HydrophobicContact CG2-CG1 4.25Å
323	R	98.4	Very high	98.8	Very high	121 Å²	121	27.9 Å²	27.9	46%	0.457	14%	0.144	S	C	.	.	H	α-helix	trans	-66.4	-44.3	-177.1	-174.5	59.7	175.4	173.4	2.7	111.4	D321 V326 L327	D321-R323 PolarHBondContact O-N 3.47Å; D321-R323 PolarHBondContact OD1-N 2.79Å; R323-V326 PolarHBondContact O-N 3.33Å; R323-L327 HydrophobicContact CG-CD1 4.04Å; R323-L327 HydrophobicContact CG-CG 4.47Å; R323-L327 WeakPolarHBondContact O-CB 3.37Å; R323-L327 WeakPolarHBondContact O-CG 3.16Å; R323-L327 PolarHBondContact O-N 2.95Å
324	S	98.8	Very high	98.8	Very high	53 Å²	53	27.9 Å²	27.9	37%	0.371	14%	0.144	S	C	.	.	H	α-helix	trans	-64.2	-41.2	176.6	-60.6	0	0	0	0	111.6	D321 V326 G328	D321-S324 PolarHBondContact O-N 3.31Å; D321-S324 WeakPolarHBondContact OD1-CB 3.36Å; D321-S324 PolarHBondContact OD1-N 3.49Å; D321-S324 PolarHBondContact OD1-OG 3.21Å; S324-V326 PolarHBondContact O-N 2.83Å; S324-G328 WeakPolarHBondContact O-CA 3.46Å; S324-G328 PolarHBondContact O-N 3.02Å
325	V	98.9	Very high	98.8	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-56.4	-51.4	173.5	169.2	0	0	0	0	110.7	V316 A320 D321 V322 T329 M347 I357 F476	V316-V325 HydrophobicContact CG1-CG1 4.32Å; V316-V325 HydrophobicContact CG1-CG2 3.88Å; V316-V325 HydrophobicContact CG2-CG1 3.62Å; V316-V325 HydrophobicContact CG2-CG2 4.1Å; A320-V325 HydrophobicContact CB-CG2 3.79Å; D321-V325 WeakPolarHBondContact O-CG2 3.4Å; D321-V325 PolarHBondContact O-N 3.47Å; V322-V325 WeakPolarHBondContact O-CB 3.2Å; V322-V325 PolarHBondContact O-N 3.26Å; V325-T329 WeakPolarHBondContact O-CB 3.49Å; V325-T329 PolarHBondContact O-N 3.3Å; V325-T329 PolarHBondContact O-OG1 2.94Å; V325-M347 HydrophobicContact CG1-CE 3.35Å; V325-I357 HydrophobicContact CG1-CD1 4.13Å; V325-F476 HydrophobicContact CG2-CB 3.51Å; V325-F476 HydrophobicContact CG2-CD1 3.72Å; V325-F476 HydrophobicContact CG2-CD2 4.3Å; V325-F476 HydrophobicContact CG2-CG 3.59Å
326	V	98.9	Very high	98.8	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-64.1	-54.3	-177	172.3	0	0	0	0	110.7	V322 R323 S324 G328 T329 I330 I357 Q360 L361 I364	V322-V326 HydrophobicContact CG1-CG2 4.3Å; V322-V326 VanDerWaalsContact O-CG2 3.23Å; V322-V326 WeakPolarHBondContact O-CG2 3.34Å; V322-V326 PolarHBondContact O-N 2.85Å; R323-V326 PolarHBondContact O-N 3.33Å; S324-V326 PolarHBondContact O-N 2.83Å; V326-G328 PolarHBondContact O-N 2.98Å; V326-T329 PolarHBondContact O-N 3.18Å; V326-I330 WeakPolarHBondContact O-CG1 3.4Å; V326-I330 PolarHBondContact O-N 3.39Å; V326-I357 HydrophobicContact CG2-CG2 4.27Å; V326-Q360 HydrophobicContact CB-CB 4.46Å; V326-Q360 HydrophobicContact CG1-CB 3.98Å; V326-Q360 HydrophobicContact CG2-CB 3.88Å; V326-L361 HydrophobicContact CG1-CD2 3.99Å; V326-L361 HydrophobicContact CG1-CG 4.26Å; V326-L361 HydrophobicContact CG2-CG 4.35Å; V326-I364 HydrophobicContact CG1-CD1 3.5Å
327	L	98.8	Very high	98.8	Very high	70 Å²	70	29 Å²	29	37%	0.366	15%	0.149	S	C	.	.	H	α-helix	trans	-64	-43.2	-177.6	-66.9	179.3	0	0	0	112.3	R323 R331 I364	R323-L327 HydrophobicContact CG-CD1 4.04Å; R323-L327 HydrophobicContact CG-CG 4.47Å; R323-L327 WeakPolarHBondContact O-CB 3.37Å; R323-L327 WeakPolarHBondContact O-CG 3.16Å; R323-L327 PolarHBondContact O-N 2.95Å; L327-R331 PolarHBondContact O-N 3.07Å; L327-R331 VanDerWaalsContact O-N 3.1Å; L327-I364 HydrophobicContact CD2-CD1 3.8Å
328	G	98.9	Very high	98.8	Very high	11 Å²	11	28.4 Å²	28.4	11%	0.113	15%	0.147	C	C	.	.	H	α-helix	trans	-63.5	-41.1	177.3	0	0	0	0	0	112	S324 V326 S332 K502	S324-G328 WeakPolarHBondContact O-CA 3.46Å; S324-G328 PolarHBondContact O-N 3.02Å; V326-G328 PolarHBondContact O-N 2.98Å; G328-S332 VanDerWaalsContact O-CB 3.24Å; G328-S332 WeakPolarHBondContact O-CB 3.37Å; G328-S332 PolarHBondContact O-N 2.91Å; G328-K502 WeakPolarHBondContact O-CB 3.05Å
329	T	98.9	Very high	98.8	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-69.6	-44.5	178.8	-56.4	0	0	0	0	112.1	H314 V325 V326 R331 S332 A333 M347 L446	H314-T329 PolarHBondContact ND1-OG1 3.24Å; V325-T329 WeakPolarHBondContact O-CB 3.49Å; V325-T329 PolarHBondContact O-N 3.3Å; V325-T329 PolarHBondContact O-OG1 2.94Å; V326-T329 PolarHBondContact O-N 3.18Å; T329-R331 VanDerWaalsContact C-N 3.34Å; T329-R331 PolarHBondContact O-N 2.72Å; T329-S332 PolarHBondContact O-N 2.93Å; T329-A333 VanDerWaalsContact O-CB 3.28Å; T329-A333 WeakPolarHBondContact O-CB 3.31Å; T329-A333 PolarHBondContact O-N 2.8Å; T329-M347 HydrophobicContact CG2-SD 3.93Å; T329-L446 HydrophobicContact CG2-CD1 4.15Å; T329-L446 HydrophobicContact CG2-CD2 3.53Å
330	I	98.8	Very high	98.8	Very high	7 Å²	7	25.3 Å²	25.3	4%	0.036	12%	0.124	C	C	.	.	H	α-helix	trans	-55.9	-49.5	174.9	-70.7	-63	0	0	0	110.6	V326 F334 L361 I364 I368 F380	V326-I330 WeakPolarHBondContact O-CG1 3.4Å; V326-I330 PolarHBondContact O-N 3.39Å; I330-F334 HydrophobicContact CD1-CD2 3.93Å; I330-F334 HydrophobicContact CD1-CE2 3.67Å; I330-F334 HydrophobicContact CG2-CD2 4.31Å; I330-F334 WeakPolarHBondContact O-CB 3.46Å; I330-F334 PolarHBondContact O-N 2.95Å; I330-L361 HydrophobicContact CD1-CD2 3.68Å; I330-L361 HydrophobicContact CG1-CD2 3.85Å; I330-I364 HydrophobicContact CD1-CG2 4.35Å; I330-I364 HydrophobicContact CG1-CG2 4.02Å; I330-I364 HydrophobicContact CG2-CG2 4.11Å; I330-I368 HydrophobicContact CD1-CD1 4.34Å; I330-I368 HydrophobicContact CG2-CD1 4.11Å; I330-F380 HydrophobicContact CG2-CE1 4Å; I330-F380 HydrophobicContact CG2-CZ 3.97Å
331	R	98.9	Very high	98.7	Very high	138 Å²	138	25.4 Å²	25.4	52%	0.521	12%	0.124	S	C	.	.	H	α-helix	trans	-62.9	-46.8	177.6	-75.2	-173.4	175.7	-177.1	-3.2	112.1	L327 T329 A333 E335 F380 K502	L327-R331 PolarHBondContact O-N 3.07Å; L327-R331 VanDerWaalsContact O-N 3.1Å; T329-R331 VanDerWaalsContact C-N 3.34Å; T329-R331 PolarHBondContact O-N 2.72Å; R331-A333 PolarHBondContact O-N 3.14Å; R331-E335 HydrophobicContact CB-CG 4.19Å; R331-E335 WeakPolarHBondContact CD-OE1 3.45Å; R331-E335 HydrophobicContact CG-CG 4.43Å; R331-E335 WeakPolarHBondContact CG-OE1 3.15Å; R331-E335 WeakPolarHBondContact O-CB 3.22Å; R331-E335 VanDerWaalsContact O-CG 3.27Å; R331-E335 WeakPolarHBondContact O-CG 3.49Å; R331-E335 PolarHBondContact O-N 3.14Å; R331-E335 VanDerWaalsContact O-N 3.08Å; R331-F380 HydrophobicContact CG-CZ 4.38Å; R331-K502 HydrophobicContact CB-CD 3.91Å
332	S	98.9	Very high	98.7	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.007	11%	0.109	C	C	.	.	H	α-helix	trans	-62.4	-41.3	-177.9	-163.6	0	0	0	0	113.2	H314 G328 T329 A343 C344 S503 T504	H314-S332 VanDerWaalsContact CE1-CB 3.5Å; H314-S332 WeakPolarHBondContact CE1-CB 3.34Å; H314-S332 PolarHBondContact NE2-OG 3.06Å; G328-S332 VanDerWaalsContact O-CB 3.24Å; G328-S332 WeakPolarHBondContact O-CB 3.37Å; G328-S332 PolarHBondContact O-N 2.91Å; T329-S332 PolarHBondContact O-N 2.93Å; S332-A343 VanDerWaalsContact O-CA 3.28Å; S332-A343 WeakPolarHBondContact O-CA 3.46Å; S332-A343 WeakPolarHBondContact O-CB 3.35Å; S332-C344 PolarHBondContact O-N 2.94Å; S332-C344 WeakPolarHBondContact OG-CB 3.19Å; S332-C344 PolarHBondContact OG-N 2.92Å; S332-C344 VanDerWaalsContact OG-N 3.08Å; S332-S503 PolarHBondContact OG-OG 3.29Å; S332-T504 WeakPolarHBondContact OG-CG2 3.31Å
333	A	98.9	Very high	98.7	Very high	2 Å²	2	22.1 Å²	22.1	2%	0.017	11%	0.108	C	C	.	.	H	α-helix	trans	-81.3	-33.6	-175.1	0	0	0	0	0	113.3	T329 R331 G338 C344 L446	T329-A333 VanDerWaalsContact O-CB 3.28Å; T329-A333 WeakPolarHBondContact O-CB 3.31Å; T329-A333 PolarHBondContact O-N 2.8Å; R331-A333 PolarHBondContact O-N 3.14Å; A333-G338 WeakPolarHBondContact O-CA 3.31Å; A333-C344 VanDerWaalsContact CA-O 3.29Å; A333-C344 WeakPolarHBondContact CA-O 3.46Å; A333-C344 VanDerWaalsContact CB-O 3.3Å; A333-C344 WeakPolarHBondContact CB-O 3.5Å; A333-L446 HydrophobicContact CB-CB 4.13Å; A333-L446 HydrophobicContact CB-CD1 4.34Å; A333-L446 HydrophobicContact CB-CD2 4.48Å
334	F	98.9	Very high	98.7	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-120.2	-17.5	-164.5	-55.8	-42	0	0	0	115.2	I330 Y336 G337 I368 F380 F381 P424 I426 P444 L446	I330-F334 HydrophobicContact CD1-CD2 3.93Å; I330-F334 HydrophobicContact CD1-CE2 3.67Å; I330-F334 HydrophobicContact CG2-CD2 4.31Å; I330-F334 WeakPolarHBondContact O-CB 3.46Å; I330-F334 PolarHBondContact O-N 2.95Å; F334-Y336 PolarHBondContact O-N 2.88Å; F334-G337 WeakPolarHBondContact O-CA 3.3Å; F334-G337 PolarHBondContact O-N 3.43Å; F334-I368 HydrophobicContact CD2-CD1 3.96Å; F334-I368 HydrophobicContact CE2-CD1 4.44Å; F334-F380 HydrophobicContact CB-CE1 3.88Å; F334-F381 HydrophobicContact CB-CD1 4.39Å; F334-F381 HydrophobicContact CB-CE1 4.31Å; F334-F381 WeakPolarHBondContact O-CB 3.49Å; F334-F381 WeakPolarHBondContact O-CD1 3.31Å; F334-F381 VanDerWaalsContact O-CG 3.29Å; F334-F381 WeakPolarHBondContact O-CG 3.28Å; F334-P424 HydrophobicContact CB-CB 4.5Å; F334-P424 HydrophobicContact CD1-CB 3.74Å; F334-P424 HydrophobicContact CD2-CB 3.91Å; F334-P424 HydrophobicContact CE1-CB 3.84Å; F334-P424 HydrophobicContact CE2-CB 3.99Å; F334-P424 HydrophobicContact CG-CB 3.79Å; F334-P424 HydrophobicContact CZ-CB 3.96Å; F334-I426 HydrophobicContact CE2-CD1 4.48Å; F334-I426 HydrophobicContact CE2-CG1 4.26Å; F334-I426 HydrophobicContact CZ-CD1 4.5Å; F334-I426 HydrophobicContact CZ-CG1 3.81Å; F334-P444 HydrophobicContact CD1-CB 3.87Å; F334-P444 HydrophobicContact CE1-CB 4.48Å; F334-P444 WeakPolarHBondContact CE1-O 3.37Å; F334-L446 HydrophobicContact CE1-CB 4.23Å; F334-L446 HydrophobicContact CZ-CB 4.05Å
335	E	98.9	Very high	98.7	Very high	20 Å²	20	14.6 Å²	14.6	9%	0.093	7%	0.074	C	C	.	.	G	3₁₀ helix	trans	-56.3	134.4	171.8	-79.5	179.3	179.4	0	0	110.4	Q150 R331 G337 G338 K340 F380	Q150-E335 PolarHBondContact NE2-OE2 3.03Å; R331-E335 HydrophobicContact CB-CG 4.19Å; R331-E335 WeakPolarHBondContact CD-OE1 3.45Å; R331-E335 HydrophobicContact CG-CG 4.43Å; R331-E335 WeakPolarHBondContact CG-OE1 3.15Å; R331-E335 WeakPolarHBondContact O-CB 3.22Å; R331-E335 VanDerWaalsContact O-CG 3.27Å; R331-E335 WeakPolarHBondContact O-CG 3.49Å; R331-E335 PolarHBondContact O-N 3.14Å; R331-E335 VanDerWaalsContact O-N 3.08Å; E335-G337 PolarHBondContact O-N 3.26Å; E335-G338 PolarHBondContact O-N 2.82Å; E335-K340 IonicContact OE2-NZ 2.87Å; E335-K340 PolarHBondContact OE2-NZ 3.17Å; E335-F380 HydrophobicContact CG-CE2 4.26Å; E335-F380 HydrophobicContact CG-CZ 4.05Å
336	Y	98.8	Very high	98.7	Very high	3 Å²	3	14.7 Å²	14.7	1%	0.012	7%	0.074	C	C	.	.	G	3₁₀ helix	trans	54.7	30.6	-174.5	-171.3	-136.7	0	0	0	113.5	Q144 K146 F203 N204 F334 G338 Q339 K340	Q144-Y336 VanDerWaalsContact O-CE2 3.26Å; Q144-Y336 WeakPolarHBondContact O-CE2 3.35Å; Q144-Y336 PolarHBondContact O-OH 3.31Å; K146-Y336 HydrophobicContact CD-CD2 4.43Å; K146-Y336 HydrophobicContact CD-CE2 4.31Å; K146-Y336 HydrophobicContact CG-CD2 3.73Å; K146-Y336 HydrophobicContact CG-CE2 3.47Å; K146-Y336 VanDerWaalsContact CG-CE2 3.47Å; K146-Y336 HydrophobicContact CG-CG 4.43Å; F203-Y336 HydrophobicContact CE2-CE1 4.43Å; N204-Y336 HydrophobicContact CB-CE1 3.93Å; N204-Y336 WeakPolarHBondContact O-CE1 3.48Å; F334-Y336 PolarHBondContact O-N 2.88Å; Y336-G338 VanDerWaalsContact C-N 3.25Å; Y336-G338 PolarHBondContact O-N 3.25Å; Y336-Q339 HydrophobicContact CD1-CB 3.84Å; Y336-Q339 WeakPolarHBondContact CD1-O 3.13Å; Y336-Q339 HydrophobicContact CE1-CB 3.81Å; Y336-Q339 HydrophobicContact CG-CB 4.46Å; Y336-Q339 WeakPolarHBondContact O-CB 3.24Å; Y336-Q339 WeakPolarHBondContact O-CG 3.39Å; Y336-Q339 PolarHBondContact O-N 2.97Å; Y336-Q339 VanDerWaalsContact O-N 3.17Å; Y336-Q339 PolarHBondContact O-NE2 3.02Å; Y336-Q339 VanDerWaalsContact O-NE2 3.11Å; Y336-K340 HydrophobicContact CD1-CG 4.43Å
337	G	98.7	Very high	98.7	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.074	C	C	.	.	G	3₁₀ helix	trans	64.1	29.2	179.6	0	0	0	0	0	113.1	F334 E335 Q339 G443 P444	F334-G337 WeakPolarHBondContact O-CA 3.3Å; F334-G337 PolarHBondContact O-N 3.43Å; E335-G337 PolarHBondContact O-N 3.26Å; G337-Q339 PolarHBondContact O-N 2.98Å; G337-G443 CarbonylContact O-C 3.47Å; G337-G443 WeakPolarHBondContact O-CA 3.31Å; G337-P444 WeakPolarHBondContact O-CD 3.47Å
338	G	98.6	Very high	98.7	Very high	2 Å²	2	11.4 Å²	11.4	2%	0.021	6%	0.056	C	C	.	.	G	3₁₀ helix	trans	67.7	12.2	-177.1	0	0	0	0	0	114.2	A333 E335 Y336 K340 A343	A333-G338 WeakPolarHBondContact O-CA 3.31Å; E335-G338 PolarHBondContact O-N 2.82Å; Y336-G338 VanDerWaalsContact C-N 3.25Å; Y336-G338 PolarHBondContact O-N 3.25Å; G338-K340 PolarHBondContact O-N 3.41Å; G338-A343 WeakPolarHBondContact O-CB 3.33Å
339	Q	98.8	Very high	98.7	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	5%	0.051	C	C	.	.			trans	-83.7	45	-177.9	-58.9	176.1	107.6	0	0	112	F203 N204 Y336 G337 F442	F203-Q339 HydrophobicContact CE2-CB 4.16Å; F203-Q339 HydrophobicContact CZ-CB 4.19Å; F203-Q339 HydrophobicContact CZ-CG 4.47Å; N204-Q339 VanDerWaalsContact CB-O 3.32Å; N204-Q339 WeakPolarHBondContact CB-O 3.45Å; N204-Q339 PolarHBondContact ND2-O 3.04Å; Y336-Q339 HydrophobicContact CD1-CB 3.84Å; Y336-Q339 WeakPolarHBondContact CD1-O 3.13Å; Y336-Q339 HydrophobicContact CE1-CB 3.81Å; Y336-Q339 HydrophobicContact CG-CB 4.46Å; Y336-Q339 WeakPolarHBondContact O-CB 3.24Å; Y336-Q339 WeakPolarHBondContact O-CG 3.39Å; Y336-Q339 PolarHBondContact O-N 2.97Å; Y336-Q339 VanDerWaalsContact O-N 3.17Å; Y336-Q339 PolarHBondContact O-NE2 3.02Å; Y336-Q339 VanDerWaalsContact O-NE2 3.11Å; G337-Q339 PolarHBondContact O-N 2.98Å; Q339-F442 VanDerWaalsContact C-CE1 3.45Å; Q339-F442 VanDerWaalsContact C-CZ 3.44Å; Q339-F442 HydrophobicContact CB-CD1 3.87Å; Q339-F442 HydrophobicContact CB-CE1 3.68Å; Q339-F442 HydrophobicContact CG-CD1 4.18Å; Q339-F442 HydrophobicContact CG-CE1 4.45Å; Q339-F442 WeakPolarHBondContact O-CE1 3.5Å; Q339-F442 WeakPolarHBondContact O-CZ 3.21Å
340	K	98.6	Very high	98.7	Very high	7 Å²	7	10.9 Å²	10.9	3%	0.03	5%	0.051	C	C	.	.	S	Bend	trans	-120.8	136.9	174.7	-56	179.7	-176.2	-176.8	0	107.8	F205 E335 Y336 G338 S342 A343 T504	F205-K340 HydrophobicContact CE2-CB 4.47Å; F205-K340 HydrophobicContact CE2-CG 4.2Å; F205-K340 HydrophobicContact CZ-CD 4.39Å; F205-K340 HydrophobicContact CZ-CG 4.19Å; E335-K340 IonicContact OE2-NZ 2.87Å; E335-K340 PolarHBondContact OE2-NZ 3.17Å; Y336-K340 HydrophobicContact CD1-CG 4.43Å; G338-K340 PolarHBondContact O-N 3.41Å; K340-S342 PolarHBondContact O-N 3.06Å; K340-S342 VanDerWaalsContact O-N 3.07Å; K340-A343 HydrophobicContact CB-CB 4.15Å; K340-A343 VanDerWaalsContact O-CB 3.31Å; K340-A343 WeakPolarHBondContact O-CB 3.29Å; K340-A343 PolarHBondContact O-N 2.93Å; K340-T504 HydrophobicContact CD-CG2 4.24Å
341	C	97.3	Very high	98.7	Very high	17 Å²	17	14.4 Å²	14.4	12%	0.115	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-24.7	173.1	53.7	0	0	0	0	112.1	N312 L471	N312-C341 PolarHBondContact ND2-O 3.08Å; N312-C341 PolarHBondContact OD1-O 3.06Å; C341-L471 HydrophobicContact CB-CD2 3.61Å; C341-L471 WeakPolarHBondContact O-CD2 3.26Å
342	S	98.6	Very high	98.7	Very high	5 Å²	5	10.8 Å²	10.8	4%	0.035	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	1.1	177.5	63.6	0	0	0	0	115.3	N312 K340 C344 T472 S503 T504	N312-S342 VanDerWaalsContact ND2-CA 3.34Å; N312-S342 WeakPolarHBondContact ND2-CA 3.46Å; K340-S342 PolarHBondContact O-N 3.06Å; K340-S342 VanDerWaalsContact O-N 3.07Å; S342-C344 PolarHBondContact O-N 3.12Å; S342-T472 VanDerWaalsContact CB-CG2 3.5Å; S342-T472 PolarHBondContact O-OG1 3.43Å; S342-S503 WeakPolarHBondContact CB-O 3.37Å; S342-S503 PolarHBondContact O-OG 3.46Å; S342-T504 VanDerWaalsContact O-CG2 3.26Å; S342-T504 WeakPolarHBondContact O-CG2 2.93Å; S342-T504 WeakPolarHBondContact OG-CG2 3.35Å
343	A	98.8	Very high	98.6	Very high	8 Å²	8	11.5 Å²	11.5	7%	0.066	7%	0.071	C	C	.	.			trans	-62.5	132.6	-176.2	0	0	0	0	0	111.8	N312 S332 G338 K340 S345	N312-A343 WeakPolarHBondContact CB-O 3.5Å; N312-A343 PolarHBondContact ND2-N 3.1Å; N312-A343 PolarHBondContact ND2-O 2.91Å; S332-A343 VanDerWaalsContact O-CA 3.28Å; S332-A343 WeakPolarHBondContact O-CA 3.46Å; S332-A343 WeakPolarHBondContact O-CB 3.35Å; G338-A343 WeakPolarHBondContact O-CB 3.33Å; K340-A343 HydrophobicContact CB-CB 4.15Å; K340-A343 VanDerWaalsContact O-CB 3.31Å; K340-A343 WeakPolarHBondContact O-CB 3.29Å; K340-A343 PolarHBondContact O-N 2.93Å; A343-S345 PolarHBondContact O-N 2.92Å
344	C	98.8	Very high	98.6	Very high	2 Å²	2	13 Å²	13	1%	0.014	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	123	173.4	-179.9	0	0	0	0	109.7	S332 A333 S342	S332-C344 PolarHBondContact O-N 2.94Å; S332-C344 WeakPolarHBondContact OG-CB 3.19Å; S332-C344 PolarHBondContact OG-N 2.92Å; S332-C344 VanDerWaalsContact OG-N 3.08Å; A333-C344 VanDerWaalsContact CA-O 3.29Å; A333-C344 WeakPolarHBondContact CA-O 3.46Å; A333-C344 VanDerWaalsContact CB-O 3.3Å; A333-C344 WeakPolarHBondContact CB-O 3.5Å; S342-C344 PolarHBondContact O-N 3.12Å
345	S	98.4	Very high	98.6	Very high	14 Å²	14	17 Å²	17	10%	0.098	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	-7.6	178.4	53.2	0	0	0	0	113.3	K311 N312 A343 T447	K311-S345 VanDerWaalsContact CD-OG 3.32Å; K311-S345 WeakPolarHBondContact CD-OG 3.49Å; K311-S345 VanDerWaalsContact CE-OG 3.32Å; K311-S345 WeakPolarHBondContact CE-OG 3.48Å; N312-S345 PolarHBondContact O-N 3.41Å; N312-S345 VanDerWaalsContact O-N 3.13Å; A343-S345 PolarHBondContact O-N 2.92Å; S345-T447 PolarHBondContact O-N 3.46Å
346	R	98.8	Very high	98.6	Very high	2 Å²	2	21 Å²	21	1%	0.008	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	123.8	173.4	49.3	176	-172.7	120.2	-0.6	110.7	K311 N312 F313 H314 Y348 M437 T447 V463	K311-R346 HydrophobicContact CG-CG 4.31Å; K311-R346 PolarHBondContact O-NE 3.21Å; K311-R346 PolarHBondContact O-NH2 2.62Å; K311-R346 VanDerWaalsContact O-NH2 3.14Å; N312-R346 VanDerWaalsContact O-CG 3.27Å; N312-R346 WeakPolarHBondContact O-CG 3.18Å; N312-R346 PolarHBondContact O-N 2.83Å; F313-R346 WeakPolarHBondContact CA-O 3.49Å; F313-R346 HydrophobicContact CB-CG 4.02Å; H314-R346 PolarHBondContact N-O 2.97Å; R346-Y348 HydrophobicContact CB-CE2 4.13Å; R346-Y348 HydrophobicContact CG-CE2 4.12Å; R346-Y348 PolarHBondContact NH1-OH 3.39Å; R346-M437 HydrophobicContact CB-CE 3.67Å; R346-M437 HydrophobicContact CB-SD 3.77Å; R346-M437 WeakPolarHBondContact CD-O 3.32Å; R346-T447 CarbonylContact C-O 3.47Å; R346-T447 VanDerWaalsContact CA-O 3.25Å; R346-T447 WeakPolarHBondContact CA-O 3.45Å; R346-V463 PolarHBondContact NH1-O 2.89Å; R346-V463 PolarHBondContact NH2-O 2.93Å
347	M	98.9	Very high	98.6	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	137.1	178	-177.6	-176.6	-179.2	0	0	109.6	H314 V316 V325 T329 V349 I357 L446 T447 I448 Y449	H314-M347 HydrophobicContact CB-CG 4.38Å; H314-M347 CarbonylContact O-C 3.58Å; H314-M347 VanDerWaalsContact O-CA 3.29Å; H314-M347 WeakPolarHBondContact O-CA 3.33Å; V316-M347 HydrophobicContact CG2-CE 3.57Å; V325-M347 HydrophobicContact CG1-CE 3.35Å; T329-M347 HydrophobicContact CG2-SD 3.93Å; M347-V349 HydrophobicContact CE-CB 4.29Å; M347-V349 HydrophobicContact CE-CG2 4.36Å; M347-I357 HydrophobicContact CE-CG2 3.86Å; M347-L446 HydrophobicContact CB-CD1 4.13Å; M347-T447 PolarHBondContact N-O 3.16Å; M347-I448 HydrophobicContact CB-CG1 4.15Å; M347-I448 HydrophobicContact CB-CG2 4.47Å; M347-I448 CarbonylContact O-C 3.52Å; M347-I448 WeakPolarHBondContact O-CA 3.48Å; M347-I448 HydrophobicContact SD-CD1 4.19Å; M347-I448 HydrophobicContact SD-CG1 4.37Å; M347-Y449 PolarHBondContact O-N 2.78Å
348	Y	98.9	Very high	98.6	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	118.4	177.4	-60	-101.9	0	0	0	107.6	F313 H314 V316 R346 M437 Y449 V459 L462 V463	F313-Y348 HydrophobicContact CB-CD2 4.44Å; F313-Y348 HydrophobicContact CB-CE2 4.15Å; H314-Y348 PolarHBondContact O-N 3.49Å; V316-Y348 PolarHBondContact N-O 2.89Å; R346-Y348 HydrophobicContact CB-CE2 4.13Å; R346-Y348 HydrophobicContact CG-CE2 4.12Å; R346-Y348 PolarHBondContact NH1-OH 3.39Å; Y348-M437 HydrophobicContact CE1-CE 3.91Å; Y348-M437 HydrophobicContact CE2-CE 4.15Å; Y348-Y449 WeakPolarHBondContact CA-O 3.5Å; Y348-Y449 AromaticContact CD1-CD1 3.95Å; Y348-Y449 HydrophobicContact CD1-CD1 3.95Å; Y348-Y449 HydrophobicContact CE1-CD1 4.42Å; Y348-V459 HydrophobicContact CD1-CG1 3.78Å; Y348-V459 HydrophobicContact CG-CG1 4.22Å; Y348-L462 HydrophobicContact CE1-CD2 4.22Å; Y348-L462 HydrophobicContact CE1-CG 4.34Å; Y348-V463 HydrophobicContact CD1-CG2 3.9Å; Y348-V463 HydrophobicContact CD2-CG2 3.6Å; Y348-V463 HydrophobicContact CE1-CG2 3.95Å; Y348-V463 HydrophobicContact CE2-CG2 3.65Å; Y348-V463 HydrophobicContact CG-CG2 3.73Å
349	V	98.9	Very high	98.6	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	137.1	-170.3	65.4	0	0	0	0	111.5	V316 M347 W354 I357 I448 Y449 V450 Y451	V316-V349 HydrophobicContact CB-CG2 4.42Å; M347-V349 HydrophobicContact CE-CB 4.29Å; M347-V349 HydrophobicContact CE-CG2 4.36Å; V349-W354 HydrophobicContact CG1-CB 4.37Å; V349-W354 HydrophobicContact CG1-CD2 4.18Å; V349-W354 HydrophobicContact CG1-CE3 3.68Å; V349-W354 HydrophobicContact CG1-CG 4.5Å; V349-W354 HydrophobicContact CG1-CZ3 4.34Å; V349-W354 HydrophobicContact CG2-CE3 4.4Å; V349-I357 HydrophobicContact CG2-CD1 3.44Å; V349-I357 VanDerWaalsContact CG2-CD1 3.44Å; V349-I448 HydrophobicContact CG1-CG2 3.59Å; V349-Y449 PolarHBondContact N-O 2.85Å; V349-V450 HydrophobicContact CG1-CB 4.32Å; V349-V450 HydrophobicContact CG1-CG1 4.44Å; V349-V450 HydrophobicContact CG1-CG2 3.85Å; V349-V450 CarbonylContact O-C 3.47Å; V349-V450 VanDerWaalsContact O-CA 3.29Å; V349-V450 WeakPolarHBondContact O-CA 3.24Å; V349-Y451 WeakPolarHBondContact O-CD1 3.43Å; V349-Y451 PolarHBondContact O-N 3.07Å
350	P	98.8	Very high	98.6	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	144.3	178.3	28.7	-33.9	0	0	0	110.2	V316 S352 S353 W354 Y451 E453	V316-P350 VanDerWaalsContact O-CD 3.28Å; V316-P350 WeakPolarHBondContact O-CD 3.07Å; P350-S352 PolarHBondContact O-N 3.12Å; P350-S353 PolarHBondContact O-N 3.14Å; P350-S353 VanDerWaalsContact O-N 3.13Å; P350-W354 WeakPolarHBondContact O-CB 3.12Å; P350-W354 PolarHBondContact O-N 3.42Å; P350-Y451 CarbonylContact C-O 3.57Å; P350-Y451 WeakPolarHBondContact CA-O 3.48Å; P350-Y451 HydrophobicContact CB-CE1 4.22Å; P350-Y451 HydrophobicContact CB-CE2 4.06Å; P350-Y451 VanDerWaalsContact N-CE1 3.33Å; P350-E453 HydrophobicContact CB-CB 4.08Å; P350-E453 HydrophobicContact CB-CG 4.36Å
351	D	98.6	Very high	98.6	Very high	82 Å²	82	33.4 Å²	33.4	44%	0.439	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-35.1	176.1	58.1	-9.1	0	0	0	113.5	S353 W354 P355 V450 Y451 E453	D351-S353 PolarHBondContact O-N 2.97Å; D351-W354 PolarHBondContact O-N 2.74Å; D351-P355 VanDerWaalsContact O-CD 3.27Å; D351-P355 WeakPolarHBondContact O-CD 3.44Å; D351-V450 HydrophobicContact CB-CG1 4.08Å; D351-Y451 PolarHBondContact N-O 2.66Å; D351-E453 PolarHBondContact OD1-N 3.07Å
352	S	98.4	Very high	98.7	Very high	62 Å²	62	34.2 Å²	34.2	43%	0.434	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-33.1	177.5	59.5	0	0	0	0	114.4	P350 E453	P350-S352 PolarHBondContact O-N 3.12Å; S352-E453 WeakPolarHBondContact CB-OE2 3.32Å; S352-E453 PolarHBondContact OG-OE2 3.4Å
353	S	98.2	Very high	98.7	Very high	15 Å²	15	37.4 Å²	37.4	11%	0.105	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-14.4	179.6	-53.4	0	0	0	0	113.1	P350 D351 Q356 I357	P350-S353 PolarHBondContact O-N 3.14Å; P350-S353 VanDerWaalsContact O-N 3.13Å; D351-S353 PolarHBondContact O-N 2.97Å; S353-Q356 PolarHBondContact O-N 3.26Å; S353-I357 WeakPolarHBondContact O-CG1 3.46Å; S353-I357 PolarHBondContact O-N 3.41Å; S353-I357 VanDerWaalsContact O-N 3.11Å
354	W	98.8	Very high	98.7	Very high	35 Å²	35	38.5 Å²	38.5	13%	0.133	20%	0.198	C	C	.	.	H	α-helix	trans	-58.3	-44	-174.5	173.5	-125.1	0	0	0	114.6	V349 P350 D351 Q356 I357 R358 L361 I409 V428 I448 V450	V349-W354 HydrophobicContact CG1-CB 4.37Å; V349-W354 HydrophobicContact CG1-CD2 4.18Å; V349-W354 HydrophobicContact CG1-CE3 3.68Å; V349-W354 HydrophobicContact CG1-CG 4.5Å; V349-W354 HydrophobicContact CG1-CZ3 4.34Å; V349-W354 HydrophobicContact CG2-CE3 4.4Å; P350-W354 WeakPolarHBondContact O-CB 3.12Å; P350-W354 PolarHBondContact O-N 3.42Å; D351-W354 PolarHBondContact O-N 2.74Å; W354-Q356 VanDerWaalsContact C-N 3.34Å; W354-Q356 PolarHBondContact O-N 2.63Å; W354-I357 HydrophobicContact CE3-CB 4.43Å; W354-I357 HydrophobicContact CE3-CG2 4.23Å; W354-I357 HydrophobicContact CZ3-CG2 4.22Å; W354-I357 PolarHBondContact O-N 2.89Å; W354-R358 HydrophobicContact CD2-CB 3.95Å; W354-R358 HydrophobicContact CE3-CB 3.94Å; W354-R358 HydrophobicContact CH2-CB 3.7Å; W354-R358 HydrophobicContact CH2-CG 3.8Å; W354-R358 HydrophobicContact CZ2-CB 3.7Å; W354-R358 HydrophobicContact CZ2-CG 3.61Å; W354-R358 HydrophobicContact CZ3-CB 3.82Å; W354-R358 HydrophobicContact CZ3-CG 4.42Å; W354-R358 WeakPolarHBondContact O-CB 3.49Å; W354-R358 PolarHBondContact O-N 3.47Å; W354-L361 HydrophobicContact CZ3-CD1 4.33Å; W354-I409 HydrophobicContact CH2-CD1 3.9Å; W354-I409 HydrophobicContact CZ2-CD1 4.12Å; W354-V428 HydrophobicContact CH2-CG2 4.06Å; W354-V428 HydrophobicContact CZ2-CG2 3.67Å; W354-I448 HydrophobicContact CE3-CG2 4.42Å; W354-I448 HydrophobicContact CH2-CD1 3.74Å; W354-I448 HydrophobicContact CH2-CG2 4.17Å; W354-I448 HydrophobicContact CZ3-CD1 3.77Å; W354-I448 HydrophobicContact CZ3-CG2 3.93Å; W354-V450 HydrophobicContact CB-CG1 3.87Å; W354-V450 HydrophobicContact CB-CG2 4.4Å; W354-V450 HydrophobicContact CD2-CG2 3.68Å; W354-V450 HydrophobicContact CE3-CG2 4.35Å; W354-V450 HydrophobicContact CG-CB 4.49Å; W354-V450 HydrophobicContact CG-CG1 3.92Å; W354-V450 HydrophobicContact CG-CG2 3.68Å; W354-V450 HydrophobicContact CZ2-CG2 4.37Å
355	P	98.7	Very high	98.7	Very high	84 Å²	84	39.9 Å²	39.9	55%	0.545	20%	0.204	S	C	.	.	H	α-helix	trans	-55.3	-47.4	-179.7	-27.7	35.5	0	0	0	113	D351 E359	D351-P355 VanDerWaalsContact O-CD 3.27Å; D351-P355 WeakPolarHBondContact O-CD 3.44Å; P355-E359 PolarHBondContact O-N 3.44Å; P355-E359 VanDerWaalsContact O-N 3.1Å
356	Q	98.6	Very high	98.7	Very high	103 Å²	103	46.4 Å²	46.4	48%	0.481	23%	0.23	S	C	.	.	H	α-helix	trans	-70.7	-41.4	-179	-168.5	-174.3	1.4	0	0	112.2	V322 S353 W354 Q360	V322-Q356 HydrophobicContact CG1-CG 4.02Å; S353-Q356 PolarHBondContact O-N 3.26Å; W354-Q356 VanDerWaalsContact C-N 3.34Å; W354-Q356 PolarHBondContact O-N 2.63Å; Q356-Q360 PolarHBondContact O-N 3.43Å
357	I	98.8	Very high	98.6	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-63.9	-44.6	176.7	-73	167.2	0	0	0	110.4	V316 V322 V325 V326 M347 V349 S353 W354 Q360 L361	V316-I357 HydrophobicContact CG1-CD1 4.16Å; V322-I357 HydrophobicContact CB-CG1 4.47Å; V322-I357 HydrophobicContact CG1-CG1 3.77Å; V322-I357 HydrophobicContact CG2-CG1 4.25Å; V325-I357 HydrophobicContact CG1-CD1 4.13Å; V326-I357 HydrophobicContact CG2-CG2 4.27Å; M347-I357 HydrophobicContact CE-CG2 3.86Å; V349-I357 HydrophobicContact CG2-CD1 3.44Å; V349-I357 VanDerWaalsContact CG2-CD1 3.44Å; S353-I357 WeakPolarHBondContact O-CG1 3.46Å; S353-I357 PolarHBondContact O-N 3.41Å; S353-I357 VanDerWaalsContact O-N 3.11Å; W354-I357 HydrophobicContact CE3-CB 4.43Å; W354-I357 HydrophobicContact CE3-CG2 4.23Å; W354-I357 HydrophobicContact CZ3-CG2 4.22Å; W354-I357 PolarHBondContact O-N 2.89Å; I357-Q360 PolarHBondContact O-N 2.93Å; I357-L361 HydrophobicContact CG2-CD1 3.69Å; I357-L361 HydrophobicContact CG2-CG 4.22Å; I357-L361 WeakPolarHBondContact O-CB 3.35Å; I357-L361 VanDerWaalsContact O-CG 3.26Å; I357-L361 WeakPolarHBondContact O-CG 3.45Å; I357-L361 PolarHBondContact O-N 2.82Å
358	R	98.8	Very high	98.6	Very high	110 Å²	110	53.6 Å²	53.6	42%	0.415	27%	0.269	S	S	.	.	H	α-helix	trans	-59.4	-49.8	178.8	-177.7	-177.5	177.9	-122.9	-1.2	111.2	W354 L361 L362 I409	W354-R358 HydrophobicContact CD2-CB 3.95Å; W354-R358 HydrophobicContact CE3-CB 3.94Å; W354-R358 HydrophobicContact CH2-CB 3.7Å; W354-R358 HydrophobicContact CH2-CG 3.8Å; W354-R358 HydrophobicContact CZ2-CB 3.7Å; W354-R358 HydrophobicContact CZ2-CG 3.61Å; W354-R358 HydrophobicContact CZ3-CB 3.82Å; W354-R358 HydrophobicContact CZ3-CG 4.42Å; W354-R358 WeakPolarHBondContact O-CB 3.49Å; W354-R358 PolarHBondContact O-N 3.47Å; R358-L361 PolarHBondContact O-N 2.91Å; R358-L362 HydrophobicContact CG-CD1 4.01Å; R358-L362 HydrophobicContact CG-CG 4.43Å; R358-L362 WeakPolarHBondContact O-CB 3.38Å; R358-L362 VanDerWaalsContact O-CG 3.26Å; R358-L362 WeakPolarHBondContact O-CG 3.26Å; R358-L362 PolarHBondContact O-N 3.27Å; R358-I409 HydrophobicContact CG-CD1 4.25Å
359	E	98.7	Very high	98.6	Very high	123 Å²	123	60.4 Å²	60.4	58%	0.575	30%	0.295	S	S	*	.	H	α-helix	trans	-56	-53.2	179.1	-177.4	177	-153	0	0	111	P355 L361 L362 D363	P355-E359 PolarHBondContact O-N 3.44Å; P355-E359 VanDerWaalsContact O-N 3.1Å; E359-L361 PolarHBondContact O-N 2.84Å; E359-L362 PolarHBondContact O-N 3.46Å; E359-D363 PolarHBondContact O-N 3.34Å
360	Q	98.8	Very high	98.6	Very high	40 Å²	40	62.8 Å²	62.8	19%	0.187	31%	0.309	C	S	.	.	H	α-helix	trans	-66.2	-35	-178.9	-68.3	-172.9	44.8	0	0	113.7	V326 Q356 I357 D363 I364	V326-Q360 HydrophobicContact CB-CB 4.46Å; V326-Q360 HydrophobicContact CG1-CB 3.98Å; V326-Q360 HydrophobicContact CG2-CB 3.88Å; Q356-Q360 PolarHBondContact O-N 3.43Å; I357-Q360 PolarHBondContact O-N 2.93Å; Q360-D363 PolarHBondContact O-N 3.42Å; Q360-I364 PolarHBondContact O-N 3.33Å
361	L	98.8	Very high	98.6	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-62.1	-45.3	173.2	-78.5	171.6	0	0	0	111	V326 I330 W354 I357 R358 E359 H365 I426 I448	V326-L361 HydrophobicContact CG1-CD2 3.99Å; V326-L361 HydrophobicContact CG1-CG 4.26Å; V326-L361 HydrophobicContact CG2-CG 4.35Å; I330-L361 HydrophobicContact CD1-CD2 3.68Å; I330-L361 HydrophobicContact CG1-CD2 3.85Å; W354-L361 HydrophobicContact CZ3-CD1 4.33Å; I357-L361 HydrophobicContact CG2-CD1 3.69Å; I357-L361 HydrophobicContact CG2-CG 4.22Å; I357-L361 WeakPolarHBondContact O-CB 3.35Å; I357-L361 VanDerWaalsContact O-CG 3.26Å; I357-L361 WeakPolarHBondContact O-CG 3.45Å; I357-L361 PolarHBondContact O-N 2.82Å; R358-L361 PolarHBondContact O-N 2.91Å; E359-L361 PolarHBondContact O-N 2.84Å; L361-H365 WeakPolarHBondContact O-CB 3.22Å; L361-H365 PolarHBondContact O-N 2.86Å; L361-I426 HydrophobicContact CB-CD1 4.26Å; L361-I448 HydrophobicContact CD1-CD1 3.91Å
362	L	98.8	Very high	98.5	Very high	34 Å²	34	61.8 Å²	61.8	18%	0.178	31%	0.308	C	S	.	.	H	α-helix	trans	-69.7	-32.9	179.7	-67.4	179.7	0	0	0	112.3	R358 E359 K366 I409 A410	R358-L362 HydrophobicContact CG-CD1 4.01Å; R358-L362 HydrophobicContact CG-CG 4.43Å; R358-L362 WeakPolarHBondContact O-CB 3.38Å; R358-L362 VanDerWaalsContact O-CG 3.26Å; R358-L362 WeakPolarHBondContact O-CG 3.26Å; R358-L362 PolarHBondContact O-N 3.27Å; E359-L362 PolarHBondContact O-N 3.46Å; L362-K366 WeakPolarHBondContact O-CG 3.36Å; L362-K366 PolarHBondContact O-N 3.39Å; L362-I409 HydrophobicContact CD2-CB 4.5Å; L362-I409 HydrophobicContact CD2-CD1 4.21Å; L362-I409 HydrophobicContact CD2-CG1 4.27Å; L362-I409 WeakPolarHBondContact CD2-O 3.48Å; L362-A410 HydrophobicContact CD2-CB 3.52Å
363	D	98.5	Very high	98.5	Very high	71 Å²	71	58.9 Å²	58.9	38%	0.38	29%	0.287	S	S	.	.	H	α-helix	trans	-69.2	-48.5	175.7	-74.8	-19.4	0	0	0	111.8	E359 Q360 H365 K366	E359-D363 PolarHBondContact O-N 3.34Å; Q360-D363 PolarHBondContact O-N 3.42Å; D363-H365 VanDerWaalsContact C-N 3.27Å; D363-H365 PolarHBondContact O-N 3.26Å; D363-K366 PolarHBondContact O-N 2.91Å; D363-K366 IonicContact OD1-NZ 2.95Å; D363-K366 PolarHBondContact OD1-NZ 2.94Å
364	I	98.5	Very high	98.4	Very high	32 Å²	32	58.8 Å²	58.8	16%	0.164	29%	0.286	C	S	.	.	H	α-helix	trans	-63.3	-37.1	175	-71.9	161.4	0	0	0	111.1	V326 L327 I330 Q360 K366 D367 I368	V326-I364 HydrophobicContact CG1-CD1 3.5Å; L327-I364 HydrophobicContact CD2-CD1 3.8Å; I330-I364 HydrophobicContact CD1-CG2 4.35Å; I330-I364 HydrophobicContact CG1-CG2 4.02Å; I330-I364 HydrophobicContact CG2-CG2 4.11Å; Q360-I364 PolarHBondContact O-N 3.33Å; I364-K366 VanDerWaalsContact C-N 3.25Å; I364-K366 PolarHBondContact O-N 3.29Å; I364-D367 PolarHBondContact O-N 3.42Å; I364-I368 HydrophobicContact CG2-CG1 4.48Å; I364-I368 PolarHBondContact O-N 3.49Å
365	H	98.7	Very high	98.3	Very high	31 Å²	31	63 Å²	63	14%	0.144	31%	0.307	C	S	.	.	H	α-helix	trans	-55.5	-39.6	179.5	175.3	-87.1	0	0	0	112.7	L361 D363 D367 I368 A410 G411 P424 I426	L361-H365 WeakPolarHBondContact O-CB 3.22Å; L361-H365 PolarHBondContact O-N 2.86Å; D363-H365 VanDerWaalsContact C-N 3.27Å; D363-H365 PolarHBondContact O-N 3.26Å; H365-D367 PolarHBondContact O-N 2.96Å; H365-I368 PolarHBondContact O-N 3.34Å; H365-A410 HydrophobicContact CB-CB 4.47Å; H365-G411 PolarHBondContact CE1-N 3Å; H365-P424 PolarHBondContact CD2-O 3.24Å; H365-P424 PolarHBondContact NE2-O 2.65Å; H365-I426 HydrophobicContact CB-CD1 4.43Å
366	K	98.1	Very high	98.2	Very high	150 Å²	150	62.1 Å²	62.1	65%	0.652	30%	0.298	S	S	*	.	H	α-helix	trans	-61.6	-28.7	177.4	-65	160.7	-166.6	163	0	113	L362 D363 I364	L362-K366 WeakPolarHBondContact O-CG 3.36Å; L362-K366 PolarHBondContact O-N 3.39Å; D363-K366 PolarHBondContact O-N 2.91Å; D363-K366 IonicContact OD1-NZ 2.95Å; D363-K366 PolarHBondContact OD1-NZ 2.94Å; I364-K366 VanDerWaalsContact C-N 3.25Å; I364-K366 PolarHBondContact O-N 3.29Å
367	D	97.9	Very high	98.2	Very high	129 Å²	129	59.6 Å²	59.6	69%	0.69	29%	0.285	S	S	*	.	H	α-helix	trans	-90.6	-9.3	-177.9	-66	-27.4	0	0	0	113	I364 H365 R369	I364-D367 PolarHBondContact O-N 3.42Å; H365-D367 PolarHBondContact O-N 2.96Å; D367-R369 PolarHBondContact O-N 2.91Å
368	I	98.5	Very high	98.2	Very high	25 Å²	25	62.3 Å²	62.3	13%	0.128	30%	0.304	C	S	.	.			trans	-68.2	116.7	-178.9	-67.9	173.8	0	0	0	110.2	I330 F334 I364 H365 V370 F380 F381 P424	I330-I368 HydrophobicContact CD1-CD1 4.34Å; I330-I368 HydrophobicContact CG2-CD1 4.11Å; F334-I368 HydrophobicContact CD2-CD1 3.96Å; F334-I368 HydrophobicContact CE2-CD1 4.44Å; I364-I368 HydrophobicContact CG2-CG1 4.48Å; I364-I368 PolarHBondContact O-N 3.49Å; H365-I368 PolarHBondContact O-N 3.34Å; I368-V370 HydrophobicContact CG2-CG2 4.25Å; I368-F380 HydrophobicContact CD1-CD1 4.46Å; I368-F380 HydrophobicContact CD1-CE1 4.45Å; I368-F380 HydrophobicContact CG1-CD1 4.22Å; I368-F380 HydrophobicContact CG2-CB 4.17Å; I368-F380 HydrophobicContact CG2-CD1 3.67Å; I368-F380 HydrophobicContact CG2-CG 4.34Å; I368-F381 HydrophobicContact CG2-CD1 4.17Å; I368-F381 HydrophobicContact CG2-CE1 3.85Å; I368-P424 HydrophobicContact CB-CG 4.22Å; I368-P424 HydrophobicContact CD1-CB 4.32Å; I368-P424 HydrophobicContact CD1-CG 4.15Å; I368-P424 HydrophobicContact CG2-CG 3.85Å
369	R	98.6	Very high	98.2	Very high	143 Å²	143	57.6 Å²	57.6	54%	0.54	29%	0.287	S	S	.	.			trans	-89.1	122.2	174.8	-63.7	-175.9	179.5	-155.1	-4	111.2	D367 S378 F380	D367-R369 PolarHBondContact O-N 2.91Å; R369-S378 WeakPolarHBondContact CD-OG 3.47Å; R369-S378 PolarHBondContact NH1-OG 3.48Å; R369-F380 WeakPolarHBondContact O-CB 3.39Å; R369-F380 PolarHBondContact O-N 3Å
370	V	98.8	Very high	98.2	Very high	49 Å²	49	54.4 Å²	54.4	30%	0.297	27%	0.272	S	S	.	.	B	Isolated β-bridge	trans	-111.7	124.3	170.7	-172.5	0	0	0	0	108.6	I368 F381 F421	I368-V370 HydrophobicContact CG2-CG2 4.25Å; V370-F381 WeakPolarHBondContact CA-O 3.49Å; V370-F381 HydrophobicContact CG1-CE2 4.11Å; V370-F381 HydrophobicContact CG1-CZ 4.26Å; V370-F381 HydrophobicContact CG2-CD1 4.13Å; V370-F381 HydrophobicContact CG2-CE1 3.47Å; V370-F381 VanDerWaalsContact CG2-CE1 3.47Å; V370-F381 HydrophobicContact CG2-CE2 4.14Å; V370-F381 HydrophobicContact CG2-CZ 3.47Å; V370-F381 VanDerWaalsContact CG2-CZ 3.47Å; V370-F421 HydrophobicContact CG1-CD1 3.86Å; V370-F421 HydrophobicContact CG1-CE1 4.49Å
371	G	98.4	Very high	98.2	Very high	16 Å²	16	52.5 Å²	52.5	17%	0.165	26%	0.263	C	S	.	.	S	Bend	trans	-177	-163.2	-172.8	0	0	0	0	0	114.7	P373 F381 S382	G371-P373 WeakPolarHBondContact O-CD 3.44Å; G371-F381 PolarHBondContact N-O 3.44Å; G371-S382 VanDerWaalsContact O-CB 3.3Å; G371-S382 WeakPolarHBondContact O-CB 3.22Å; G371-S382 PolarHBondContact O-OG 3.15Å
372	D	98.3	Very high	98.2	Very high	46 Å²	46	52.5 Å²	52.5	25%	0.246	26%	0.263	C	S	.	.			trans	-74.4	115.2	176	-171.9	-45	0	0	0	109.8	F78 V374 E375 D376 T379	F78-D372 HydrophobicContact CD2-CB 4.27Å; F78-D372 WeakPolarHBondContact CD2-OD2 3.28Å; F78-D372 WeakPolarHBondContact CE2-OD2 3.37Å; D372-V374 PolarHBondContact O-N 3.24Å; D372-V374 WeakPolarHBondContact OD1-CA 3.43Å; D372-V374 VanDerWaalsContact OD1-CB 3.27Å; D372-V374 WeakPolarHBondContact OD1-CB 3.41Å; D372-V374 PolarHBondContact OD1-N 2.95Å; D372-E375 HydrophobicContact CB-CB 4.41Å; D372-E375 PolarHBondContact OD1-N 2.97Å; D372-D376 PolarHBondContact O-N 3.42Å; D372-D376 VanDerWaalsContact O-N 3.13Å; D372-T379 PolarHBondContact O-OG1 2.88Å
373	P	98	Very high	98.2	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.006	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-6.5	-174.8	34	-32.5	0	0	0	112.9	F78 M141 K146 T147 G371 F377 T379 S382	F78-P373 HydrophobicContact CD1-CG 3.92Å; F78-P373 HydrophobicContact CE1-CG 3.77Å; F78-P373 HydrophobicContact CZ-CG 4.22Å; M141-P373 WeakPolarHBondContact CE-O 3.5Å; K146-P373 WeakPolarHBondContact O-CB 3.19Å; T147-P373 HydrophobicContact CG2-CB 4.01Å; G371-P373 WeakPolarHBondContact O-CD 3.44Å; P373-F377 WeakPolarHBondContact O-CD1 3.19Å; P373-T379 HydrophobicContact CB-CG2 4.46Å; P373-S382 WeakPolarHBondContact CD-OG 3.43Å
374	V	96.4	Very high	98.2	Very high	12 Å²	12	47.6 Å²	47.6	7%	0.073	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-42	-177.9	174.8	0	0	0	0	110.6	L47 F78 M141 I142 D372	L47-V374 HydrophobicContact CB-CG1 3.96Å; L47-V374 HydrophobicContact CD1-CG1 4.14Å; L47-V374 HydrophobicContact CD2-CB 4.39Å; L47-V374 HydrophobicContact CD2-CG1 3.89Å; L47-V374 HydrophobicContact CD2-CG2 3.79Å; L47-V374 HydrophobicContact CG-CG1 4.21Å; F78-V374 HydrophobicContact CE1-CG2 4.48Å; F78-V374 HydrophobicContact CE2-CG2 4.22Å; F78-V374 HydrophobicContact CZ-CB 4.47Å; F78-V374 HydrophobicContact CZ-CG2 3.64Å; M141-V374 HydrophobicContact CB-CG2 4.5Å; M141-V374 HydrophobicContact CE-CG2 4.45Å; I142-V374 HydrophobicContact CG1-CG2 3.72Å; D372-V374 PolarHBondContact O-N 3.24Å; D372-V374 WeakPolarHBondContact OD1-CA 3.43Å; D372-V374 VanDerWaalsContact OD1-CB 3.27Å; D372-V374 WeakPolarHBondContact OD1-CB 3.41Å; D372-V374 PolarHBondContact OD1-N 2.95Å
375	E	95.9	Very high	98.2	Very high	125 Å²	125	46.3 Å²	46.3	58%	0.584	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-29.6	176.9	-59.4	-59	157.3	0	0	112.7	K51 D372	K51-E375 WeakPolarHBondContact CD-OE1 3.3Å; K51-E375 WeakPolarHBondContact CE-OE1 3.2Å; K51-E375 IonicContact NZ-OE1 3.94Å; K51-E375 PolarHBondContact NZ-OE1 3.38Å; K51-E375 IonicContact NZ-OE2 2.92Å; K51-E375 PolarHBondContact NZ-OE2 3.47Å; K51-E375 VanDerWaalsContact NZ-OE2 3.1Å; D372-E375 HydrophobicContact CB-CB 4.41Å; D372-E375 PolarHBondContact OD1-N 2.97Å
376	D	97.4	Very high	98.2	Very high	65 Å²	65	46.2 Å²	46.2	35%	0.348	23%	0.231	S	C	.	.			trans	-129.8	102.1	-179.7	-175.1	2.9	0	0	0	112.4	D372 S378 T379	D372-D376 PolarHBondContact O-N 3.42Å; D372-D376 VanDerWaalsContact O-N 3.13Å; D376-S378 PolarHBondContact O-N 3.38Å; D376-S378 WeakPolarHBondContact OD1-CA 3.47Å; D376-S378 WeakPolarHBondContact OD1-CB 3.32Å; D376-S378 PolarHBondContact OD1-N 3.19Å; D376-S378 PolarHBondContact OD1-OG 2.97Å; D376-S378 PolarHBondContact OD2-OG 3.09Å; D376-T379 WeakPolarHBondContact O-CB 3.48Å; D376-T379 PolarHBondContact O-N 3.45Å; D376-T379 VanDerWaalsContact O-N 3.11Å; D376-T379 PolarHBondContact O-OG1 2.9Å
377	F	98.1	Very high	98.2	Very high	50 Å²	50	43.3 Å²	43.3	22%	0.219	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-5.5	177.1	-75	14.4	0	0	0	113.5	R40 L43 Q44 L47 M141 V148 P373 T379	R40-F377 HydrophobicContact CG-CE2 4.21Å; L43-F377 HydrophobicContact CD2-CE2 4.43Å; L43-F377 HydrophobicContact CD2-CZ 4.21Å; L43-F377 HydrophobicContact CG-CZ 4.5Å; Q44-F377 HydrophobicContact CG-CE2 4.29Å; Q44-F377 HydrophobicContact CG-CZ 4.04Å; L47-F377 HydrophobicContact CD1-CE1 3.88Å; L47-F377 HydrophobicContact CD1-CZ 3.8Å; M141-F377 HydrophobicContact CE-CE1 4.17Å; V148-F377 HydrophobicContact CG2-CD1 3.91Å; V148-F377 HydrophobicContact CG2-CD2 3.71Å; V148-F377 HydrophobicContact CG2-CE1 3.84Å; V148-F377 HydrophobicContact CG2-CE2 3.63Å; V148-F377 HydrophobicContact CG2-CG 3.85Å; V148-F377 HydrophobicContact CG2-CZ 3.71Å; P373-F377 WeakPolarHBondContact O-CD1 3.19Å; F377-T379 VanDerWaalsContact C-N 3.27Å
378	S	97.4	Very high	98.3	Very high	57 Å²	57	44.3 Å²	44.3	40%	0.399	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-7.9	169.7	79.3	0	0	0	0	113.3	R369 D376 F380	R369-S378 WeakPolarHBondContact CD-OG 3.47Å; R369-S378 PolarHBondContact NH1-OG 3.48Å; D376-S378 PolarHBondContact O-N 3.38Å; D376-S378 WeakPolarHBondContact OD1-CA 3.47Å; D376-S378 WeakPolarHBondContact OD1-CB 3.32Å; D376-S378 PolarHBondContact OD1-N 3.19Å; D376-S378 PolarHBondContact OD1-OG 2.97Å; D376-S378 PolarHBondContact OD2-OG 3.09Å; S378-F380 PolarHBondContact O-N 2.9Å
379	T	98.7	Very high	98.3	Very high	10 Å²	10	43.3 Å²	43.3	6%	0.061	22%	0.216	C	C	.	.			trans	-57.3	125.6	173.2	-65.5	0	0	0	0	111	T147 D372 P373 D376 F377 F381	T147-T379 HydrophobicContact CG2-CG2 4.11Å; T147-T379 WeakPolarHBondContact CG2-O 3.34Å; D372-T379 PolarHBondContact O-OG1 2.88Å; P373-T379 HydrophobicContact CB-CG2 4.46Å; D376-T379 WeakPolarHBondContact O-CB 3.48Å; D376-T379 PolarHBondContact O-N 3.45Å; D376-T379 VanDerWaalsContact O-N 3.11Å; D376-T379 PolarHBondContact O-OG1 2.9Å; F377-T379 VanDerWaalsContact C-N 3.27Å; T379-F381 WeakPolarHBondContact CG2-O 3.37Å
380	F	98.8	Very high	98.3	Very high	56 Å²	56	36.7 Å²	36.7	25%	0.246	19%	0.191	C	C	.	.	S	Bend	trans	-78.8	-44.1	178.1	-178.4	-121.8	0	0	0	111.7	I330 R331 F334 E335 I368 R369 S378	I330-F380 HydrophobicContact CG2-CE1 4Å; I330-F380 HydrophobicContact CG2-CZ 3.97Å; R331-F380 HydrophobicContact CG-CZ 4.38Å; F334-F380 HydrophobicContact CB-CE1 3.88Å; E335-F380 HydrophobicContact CG-CE2 4.26Å; E335-F380 HydrophobicContact CG-CZ 4.05Å; I368-F380 HydrophobicContact CD1-CD1 4.46Å; I368-F380 HydrophobicContact CD1-CE1 4.45Å; I368-F380 HydrophobicContact CG1-CD1 4.22Å; I368-F380 HydrophobicContact CG2-CB 4.17Å; I368-F380 HydrophobicContact CG2-CD1 3.67Å; I368-F380 HydrophobicContact CG2-CG 4.34Å; R369-F380 WeakPolarHBondContact O-CB 3.39Å; R369-F380 PolarHBondContact O-N 3Å; S378-F380 PolarHBondContact O-N 2.9Å
381	F	98.9	Very high	98.3	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-152.2	167.2	168	77.2	-84.3	0	0	0	110.7	F334 I368 V370 G371 T379 P424 P444	F334-F381 HydrophobicContact CB-CD1 4.39Å; F334-F381 HydrophobicContact CB-CE1 4.31Å; F334-F381 WeakPolarHBondContact O-CB 3.49Å; F334-F381 WeakPolarHBondContact O-CD1 3.31Å; F334-F381 VanDerWaalsContact O-CG 3.29Å; F334-F381 WeakPolarHBondContact O-CG 3.28Å; I368-F381 HydrophobicContact CG2-CD1 4.17Å; I368-F381 HydrophobicContact CG2-CE1 3.85Å; V370-F381 WeakPolarHBondContact CA-O 3.49Å; V370-F381 HydrophobicContact CG1-CE2 4.11Å; V370-F381 HydrophobicContact CG1-CZ 4.26Å; V370-F381 HydrophobicContact CG2-CD1 4.13Å; V370-F381 HydrophobicContact CG2-CE1 3.47Å; V370-F381 VanDerWaalsContact CG2-CE1 3.47Å; V370-F381 HydrophobicContact CG2-CE2 4.14Å; V370-F381 HydrophobicContact CG2-CZ 3.47Å; V370-F381 VanDerWaalsContact CG2-CZ 3.47Å; G371-F381 PolarHBondContact N-O 3.44Å; T379-F381 WeakPolarHBondContact CG2-O 3.37Å; F381-P424 HydrophobicContact CE1-CB 3.98Å; F381-P424 HydrophobicContact CE1-CG 4.03Å; F381-P424 HydrophobicContact CZ-CB 4.16Å; F381-P424 HydrophobicContact CZ-CG 4.3Å; F381-P444 HydrophobicContact CE2-CB 4.03Å; F381-P444 HydrophobicContact CE2-CG 4.04Å; F381-P444 HydrophobicContact CZ-CB 3.93Å; F381-P444 HydrophobicContact CZ-CG 4.18Å
382	S	98.8	Very high	98.3	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.007	20%	0.197	C	C	.	.			trans	-116.9	-165.4	-174.5	-162.4	0	0	0	0	112.9	F78 G145 G371 P373	F78-S382 VanDerWaalsContact CB-OG 3.31Å; F78-S382 WeakPolarHBondContact CB-OG 3.44Å; G145-S382 WeakPolarHBondContact O-CB 3.47Å; G371-S382 VanDerWaalsContact O-CB 3.3Å; G371-S382 WeakPolarHBondContact O-CB 3.22Å; G371-S382 PolarHBondContact O-OG 3.15Å; P373-S382 WeakPolarHBondContact CD-OG 3.43Å
383	A	98.8	Very high	98.3	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.185	C	C	.	.			trans	-53.6	153.7	173.8	0	0	0	0	0	113.1	P77 F78 Y420 F421	P77-A383 HydrophobicContact CB-CB 4.18Å; P77-A383 WeakPolarHBondContact O-CB 3.49Å; F78-A383 HydrophobicContact CB-CB 4.01Å; A383-Y420 CarbonylContact C-O 3.03Å; A383-Y420 VanDerWaalsContact CA-O 3.3Å; A383-Y420 WeakPolarHBondContact CA-O 3.45Å; A383-Y420 WeakPolarHBondContact CB-O 3.36Å; A383-F421 HydrophobicContact CB-CD1 3.86Å; A383-F421 HydrophobicContact CB-CE1 3.92Å; A383-F421 HydrophobicContact CB-CG 4.28Å; A383-F421 HydrophobicContact CB-CZ 4.37Å
384	V	98.9	Very high	98.4	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.006	20%	0.204	C	C	.	.			trans	-75.4	160.5	169.8	-59	0	0	0	0	110.5	P77 D386 F390 I393 Y420 V422	P77-V384 WeakPolarHBondContact CB-O 3.47Å; V384-D386 PolarHBondContact O-N 2.85Å; V384-F390 HydrophobicContact CG2-CB 4.08Å; V384-F390 HydrophobicContact CG2-CD2 4.46Å; V384-I393 HydrophobicContact CB-CD1 4.12Å; V384-I393 HydrophobicContact CG1-CD1 3.66Å; V384-I393 HydrophobicContact CG2-CD1 4.09Å; V384-Y420 WeakPolarHBondContact CG2-O 3.27Å; V384-Y420 PolarHBondContact N-O 3.5Å; V384-Y420 WeakPolarHBondContact O-CB 3.32Å; V384-V422 HydrophobicContact CG1-CG2 4.26Å; V384-V422 HydrophobicContact CG2-CG2 4.23Å
385	I	98.8	Very high	98.5	Very high	5 Å²	5	47.8 Å²	47.8	3%	0.026	23%	0.229	C	C	.	.	S	Bend	trans	-62.4	-39	-158.7	-168.6	67.1	0	0	0	115.5	P77 Q144 F203 T230 S389	P77-I385 HydrophobicContact CG-CD1 3.92Å; Q144-I385 HydrophobicContact CB-CD1 4.14Å; Q144-I385 HydrophobicContact CG-CD1 4.44Å; F203-I385 HydrophobicContact CB-CD1 4.47Å; F203-I385 HydrophobicContact CB-CG1 4.19Å; F203-I385 HydrophobicContact CD1-CG2 4.23Å; F203-I385 HydrophobicContact CD2-CB 3.7Å; F203-I385 HydrophobicContact CD2-CD1 3.61Å; F203-I385 HydrophobicContact CD2-CG1 3.39Å; F203-I385 HydrophobicContact CD2-CG2 4.02Å; F203-I385 HydrophobicContact CE1-CG2 3.85Å; F203-I385 HydrophobicContact CE2-CB 3.47Å; F203-I385 VanDerWaalsContact CE2-CB 3.47Å; F203-I385 HydrophobicContact CE2-CD1 4.15Å; F203-I385 HydrophobicContact CE2-CG1 3.76Å; F203-I385 HydrophobicContact CE2-CG2 3.63Å; F203-I385 HydrophobicContact CG-CB 4.34Å; F203-I385 HydrophobicContact CG-CD1 4.31Å; F203-I385 HydrophobicContact CG-CG1 3.81Å; F203-I385 HydrophobicContact CG-CG2 4.28Å; F203-I385 HydrophobicContact CZ-CB 3.91Å; F203-I385 HydrophobicContact CZ-CG1 4.43Å; F203-I385 HydrophobicContact CZ-CG2 3.49Å; F203-I385 VanDerWaalsContact CZ-CG2 3.49Å; T230-I385 VanDerWaalsContact CB-CG1 3.48Å; T230-I385 HydrophobicContact CG2-CG1 4.03Å; T230-I385 WeakPolarHBondContact OG1-CG1 3.32Å; I385-S389 WeakPolarHBondContact CG2-OG 3.14Å
386	D	98.8	Very high	98.6	Very high	30 Å²	30	43.3 Å²	43.3	16%	0.16	21%	0.207	C	C	.	.	S	Bend	trans	-155	172.1	-172.5	67.3	1.8	0	0	0	112.9	T230 V384 K388 S389 F390	T230-D386 HydrophobicContact CG2-CB 4.23Å; V384-D386 PolarHBondContact O-N 2.85Å; D386-K388 VanDerWaalsContact C-N 3.3Å; D386-K388 PolarHBondContact O-N 3.25Å; D386-K388 PolarHBondContact OD1-N 2.96Å; D386-S389 PolarHBondContact O-N 3.02Å; D386-S389 WeakPolarHBondContact OD1-CB 3.44Å; D386-S389 PolarHBondContact OD1-N 3.47Å; D386-S389 PolarHBondContact OD1-OG 2.83Å; D386-F390 PolarHBondContact O-N 3.2Å
387	D	98.6	Very high	98.7	Very high	88 Å²	88	40.2 Å²	40.2	47%	0.471	19%	0.19	S	C	.	.	H	α-helix	trans	-56.8	-39.6	176.9	65.7	-31	0	0	0	112.7	F390 A391 Y420	D387-F390 PolarHBondContact O-N 3.39Å; D387-A391 VanDerWaalsContact O-CB 3.28Å; D387-A391 WeakPolarHBondContact O-CB 3.38Å; D387-A391 PolarHBondContact O-N 3.05Å; D387-Y420 HydrophobicContact CB-CE1 3.77Å
388	K	98.4	Very high	98.7	Very high	150 Å²	150	41.4 Å²	41.4	65%	0.652	20%	0.199	S	C	*	.	H	α-helix	trans	-64.5	-42.4	177.8	-68	172.8	-173.8	169.4	0	111.6	D386 R392	D386-K388 VanDerWaalsContact C-N 3.3Å; D386-K388 PolarHBondContact O-N 3.25Å; D386-K388 PolarHBondContact OD1-N 2.96Å; K388-R392 WeakPolarHBondContact O-CB 3.33Å; K388-R392 PolarHBondContact O-N 2.78Å
389	S	98.7	Very high	98.7	Very high	4 Å²	4	41.1 Å²	41.1	3%	0.028	19%	0.191	C	C	.	.	H	α-helix	trans	-68.8	-44.1	176.9	-61.5	0	0	0	0	110.9	I385 D386 A391 R392 I393	I385-S389 WeakPolarHBondContact CG2-OG 3.14Å; D386-S389 PolarHBondContact O-N 3.02Å; D386-S389 WeakPolarHBondContact OD1-CB 3.44Å; D386-S389 PolarHBondContact OD1-N 3.47Å; D386-S389 PolarHBondContact OD1-OG 2.83Å; S389-A391 PolarHBondContact O-N 3.27Å; S389-R392 PolarHBondContact O-N 2.86Å; S389-R392 PolarHBondContact OG-NH2 3.33Å; S389-I393 WeakPolarHBondContact O-CD1 3.45Å; S389-I393 VanDerWaalsContact O-CG1 3.22Å; S389-I393 WeakPolarHBondContact O-CG1 3.44Å; S389-I393 PolarHBondContact O-N 2.91Å
390	F	98.9	Very high	98.7	Very high	5 Å²	5	40.8 Å²	40.8	2%	0.022	19%	0.19	C	C	.	.	H	α-helix	trans	-55.4	-52.4	173.2	-176.2	-92.5	0	0	0	111.8	V384 D386 D387 R392 I393 K394 C414 D416 Y420 F421 V422	V384-F390 HydrophobicContact CG2-CB 4.08Å; V384-F390 HydrophobicContact CG2-CD2 4.46Å; D386-F390 PolarHBondContact O-N 3.2Å; D387-F390 PolarHBondContact O-N 3.39Å; F390-R392 VanDerWaalsContact C-N 3.33Å; F390-R392 PolarHBondContact O-N 3.06Å; F390-I393 PolarHBondContact O-N 2.95Å; F390-K394 HydrophobicContact CE1-CD 4.14Å; F390-K394 WeakPolarHBondContact O-CB 3.35Å; F390-K394 PolarHBondContact O-N 2.78Å; F390-C414 HydrophobicContact CE2-CB 3.66Å; F390-C414 HydrophobicContact CZ-CB 3.74Å; F390-D416 HydrophobicContact CD1-CB 3.98Å; F390-D416 HydrophobicContact CD2-CB 4.23Å; F390-D416 HydrophobicContact CE1-CB 3.63Å; F390-D416 WeakPolarHBondContact CE1-OD2 3.3Å; F390-D416 HydrophobicContact CE2-CB 3.87Å; F390-D416 HydrophobicContact CG-CB 4.27Å; F390-D416 HydrophobicContact CZ-CB 3.58Å; F390-Y420 HydrophobicContact CB-CD1 4.1Å; F390-Y420 HydrophobicContact CB-CG 4.41Å; F390-Y420 HydrophobicContact CG-CD1 4.39Å; F390-F421 WeakPolarHBondContact CE2-O 3.42Å; F390-V422 HydrophobicContact CD2-CG2 3.94Å; F390-V422 HydrophobicContact CE2-CG2 4.17Å
391	A	98.8	Very high	98.7	Very high	41 Å²	41	44 Å²	44	34%	0.339	20%	0.203	S	C	.	.	H	α-helix	trans	-61.5	-39.4	179.4	0	0	0	0	0	112.2	D387 S389 R395	D387-A391 VanDerWaalsContact O-CB 3.28Å; D387-A391 WeakPolarHBondContact O-CB 3.38Å; D387-A391 PolarHBondContact O-N 3.05Å; S389-A391 PolarHBondContact O-N 3.27Å; A391-R395 WeakPolarHBondContact O-CG 3.41Å; A391-R395 PolarHBondContact O-N 3.35Å; A391-R395 VanDerWaalsContact O-N 3.15Å
392	R	98.7	Very high	98.7	Very high	64 Å²	64	48.5 Å²	48.5	24%	0.242	24%	0.235	C	C	.	.	H	α-helix	trans	-61.5	-47.8	174.6	179.1	-178.9	65.7	-112	-7.5	111.4	K388 S389 F390 R395 W396 I441 F442	K388-R392 WeakPolarHBondContact O-CB 3.33Å; K388-R392 PolarHBondContact O-N 2.78Å; S389-R392 PolarHBondContact O-N 2.86Å; S389-R392 PolarHBondContact OG-NH2 3.33Å; F390-R392 VanDerWaalsContact C-N 3.33Å; F390-R392 PolarHBondContact O-N 3.06Å; R392-R395 PolarHBondContact O-N 3.41Å; R392-W396 VanDerWaalsContact O-CD1 3.3Å; R392-W396 PolarHBondContact O-N 2.85Å; R392-I441 PolarHBondContact NE-O 3.37Å; R392-I441 PolarHBondContact NH2-O 3.35Å; R392-F442 PolarHBondContact NH2-O 3.32Å
393	I	98.9	Very high	98.6	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-68.2	-42.2	-177.4	-63.5	160.5	0	0	0	110.4	V384 S389 F390 R395 W396 L397 V422 I441 V445	V384-I393 HydrophobicContact CB-CD1 4.12Å; V384-I393 HydrophobicContact CG1-CD1 3.66Å; V384-I393 HydrophobicContact CG2-CD1 4.09Å; S389-I393 WeakPolarHBondContact O-CD1 3.45Å; S389-I393 VanDerWaalsContact O-CG1 3.22Å; S389-I393 WeakPolarHBondContact O-CG1 3.44Å; S389-I393 PolarHBondContact O-N 2.91Å; F390-I393 PolarHBondContact O-N 2.95Å; I393-R395 VanDerWaalsContact C-N 3.29Å; I393-R395 PolarHBondContact O-N 3.33Å; I393-W396 WeakPolarHBondContact O-CA 3.39Å; I393-W396 WeakPolarHBondContact O-CB 3.45Å; I393-W396 PolarHBondContact O-N 3.45Å; I393-L397 HydrophobicContact CG2-CG 4.43Å; I393-L397 WeakPolarHBondContact O-CG 3.5Å; I393-L397 PolarHBondContact O-N 2.77Å; I393-V422 HydrophobicContact CG2-CG1 3.82Å; I393-V422 HydrophobicContact CG2-CG2 4.23Å; I393-I441 HydrophobicContact CG1-CG2 4.07Å; I393-V445 HydrophobicContact CG2-CG2 4.05Å
394	K	98.8	Very high	98.6	Very high	94 Å²	94	54.5 Å²	54.5	41%	0.409	28%	0.277	S	S	.	.	H	α-helix	trans	-54.5	-43.3	174.3	-176.1	173.5	179.2	176.5	0	112.1	F390 W396 L397 D398	F390-K394 HydrophobicContact CE1-CD 4.14Å; F390-K394 WeakPolarHBondContact O-CB 3.35Å; F390-K394 PolarHBondContact O-N 2.78Å; K394-W396 VanDerWaalsContact C-N 3.31Å; K394-W396 PolarHBondContact O-N 2.84Å; K394-L397 WeakPolarHBondContact O-CB 3.26Å; K394-L397 PolarHBondContact O-N 3.12Å; K394-L397 VanDerWaalsContact O-N 3.13Å; K394-D398 VanDerWaalsContact O-CG 3.28Å; K394-D398 PolarHBondContact O-N 3.05Å
395	R	98.7	Very high	98.5	Very high	158 Å²	158	57.3 Å²	57.3	60%	0.596	29%	0.292	S	S	*	.	H	α-helix	trans	-58.8	-38.9	174	-71.9	-169.5	-56.6	-97.4	5.3	113.2	A391 R392 I393 D398 H399	A391-R395 WeakPolarHBondContact O-CG 3.41Å; A391-R395 PolarHBondContact O-N 3.35Å; A391-R395 VanDerWaalsContact O-N 3.15Å; R392-R395 PolarHBondContact O-N 3.41Å; I393-R395 VanDerWaalsContact C-N 3.29Å; I393-R395 PolarHBondContact O-N 3.33Å; R395-D398 PolarHBondContact O-N 3.36Å; R395-H399 PolarHBondContact O-N 3.07Å
396	W	98.8	Very high	98.5	Very high	30 Å²	30	57.8 Å²	57.8	11%	0.114	30%	0.295	C	S	.	.	H	α-helix	trans	-69.4	-35.7	175.6	-77.1	110.9	0	0	0	112.7	R392 I393 K394 D398 H399 A400 P435 I436 E439 I441	R392-W396 VanDerWaalsContact O-CD1 3.3Å; R392-W396 PolarHBondContact O-N 2.85Å; I393-W396 WeakPolarHBondContact O-CA 3.39Å; I393-W396 WeakPolarHBondContact O-CB 3.45Å; I393-W396 PolarHBondContact O-N 3.45Å; K394-W396 VanDerWaalsContact C-N 3.31Å; K394-W396 PolarHBondContact O-N 2.84Å; W396-D398 VanDerWaalsContact C-N 3.34Å; W396-H399 AromaticContact CE3-CD2 3.95Å; W396-H399 AromaticContact CZ3-CD2 3.95Å; W396-H399 PolarHBondContact O-N 2.76Å; W396-A400 WeakPolarHBondContact O-CB 3.39Å; W396-A400 PolarHBondContact O-N 2.83Å; W396-P435 HydrophobicContact CH2-CB 3.95Å; W396-P435 HydrophobicContact CZ3-CB 4.08Å; W396-I436 HydrophobicContact CE3-CB 4.03Å; W396-I436 HydrophobicContact CE3-CD1 4.28Å; W396-I436 HydrophobicContact CE3-CG1 3.75Å; W396-I436 HydrophobicContact CZ3-CB 3.87Å; W396-I436 HydrophobicContact CZ3-CG1 4.1Å; W396-E439 HydrophobicContact CH2-CB 3.78Å; W396-E439 HydrophobicContact CH2-CG 4.22Å; W396-E439 HydrophobicContact CZ2-CB 3.56Å; W396-E439 HydrophobicContact CZ2-CG 4.27Å; W396-E439 WeakPolarHBondContact CZ2-OE2 3.44Å; W396-I441 HydrophobicContact CB-CD1 4.49Å; W396-I441 HydrophobicContact CB-CG2 4.39Å; W396-I441 HydrophobicContact CD2-CD1 4.39Å; W396-I441 HydrophobicContact CD2-CG1 4.08Å; W396-I441 HydrophobicContact CG-CD1 4.25Å; W396-I441 HydrophobicContact CG-CG1 3.96Å; W396-I441 HydrophobicContact CG-CG2 4.19Å
397	L	98.8	Very high	98.5	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-65.9	-38.7	172.6	-61.8	-179.3	0	0	0	111.6	I393 K394 A400 K401 C414 V422 T425 V445	I393-L397 HydrophobicContact CG2-CG 4.43Å; I393-L397 WeakPolarHBondContact O-CG 3.5Å; I393-L397 PolarHBondContact O-N 2.77Å; K394-L397 WeakPolarHBondContact O-CB 3.26Å; K394-L397 PolarHBondContact O-N 3.12Å; K394-L397 VanDerWaalsContact O-N 3.13Å; L397-A400 PolarHBondContact O-N 2.78Å; L397-K401 WeakPolarHBondContact O-CG 3.32Å; L397-K401 PolarHBondContact O-N 2.97Å; L397-C414 HydrophobicContact CD1-CB 4.41Å; L397-V422 HydrophobicContact CD1-CG1 4.02Å; L397-T425 HydrophobicContact CD2-CG2 3.75Å; L397-V445 HydrophobicContact CD2-CG2 4.09Å
398	D	98.6	Very high	98.5	Very high	76 Å²	76	57.7 Å²	57.7	41%	0.406	30%	0.298	S	S	.	.	H	α-helix	trans	-68.3	-41.6	176.5	-65.5	-23.4	0	0	0	111.2	K394 R395 W396 A400 K401 S402	K394-D398 VanDerWaalsContact O-CG 3.28Å; K394-D398 PolarHBondContact O-N 3.05Å; R395-D398 PolarHBondContact O-N 3.36Å; W396-D398 VanDerWaalsContact C-N 3.34Å; D398-A400 VanDerWaalsContact C-N 3.33Å; D398-A400 PolarHBondContact O-N 2.93Å; D398-K401 PolarHBondContact O-N 2.91Å; D398-K401 VanDerWaalsContact O-N 3.15Å; D398-S402 PolarHBondContact O-N 3.38Å; D398-S402 PolarHBondContact O-OG 3.44Å
399	H	98.6	Very high	98.5	Very high	51 Å²	51	52.3 Å²	52.3	24%	0.236	28%	0.276	C	S	.	.	H	α-helix	trans	-54.6	-49.1	169.8	172.7	65.3	0	0	0	111.2	R395 W396 K401 S402 S403 D434	R395-H399 PolarHBondContact O-N 3.07Å; W396-H399 AromaticContact CE3-CD2 3.95Å; W396-H399 AromaticContact CZ3-CD2 3.95Å; W396-H399 PolarHBondContact O-N 2.76Å; H399-K401 VanDerWaalsContact C-N 3.25Å; H399-K401 PolarHBondContact O-N 2.97Å; H399-S402 PolarHBondContact O-N 3.22Å; H399-S402 VanDerWaalsContact O-N 3.09Å; H399-S402 PolarHBondContact O-OG 3Å; H399-S403 WeakPolarHBondContact O-CB 3.48Å; H399-S403 PolarHBondContact O-N 3.33Å; H399-D434 IonicContact CD2-OD1 2.86Å; H399-D434 IonicContact CE1-OD1 2.66Å; H399-D434 IonicContact CE1-OD2 3.96Å; H399-D434 IonicContact NE2-OD1 3.91Å; H399-D434 PolarHBondContact NE2-OD1 2.98Å; H399-D434 IonicContact NE2-OD2 2.64Å; H399-D434 PolarHBondContact NE2-OD2 3.48Å
400	A	98.6	Very high	98.5	Very high	3 Å²	3	52.7 Å²	52.7	3%	0.025	28%	0.28	C	S	.	.	H	α-helix	trans	-61.6	-29.8	178.4	0	0	0	0	0	113.9	W396 L397 D398 L406 I408 I427 I436	W396-A400 WeakPolarHBondContact O-CB 3.39Å; W396-A400 PolarHBondContact O-N 2.83Å; L397-A400 PolarHBondContact O-N 2.78Å; D398-A400 VanDerWaalsContact C-N 3.33Å; D398-A400 PolarHBondContact O-N 2.93Å; A400-L406 HydrophobicContact CB-CD1 4.21Å; A400-I408 HydrophobicContact CB-CD1 4.15Å; A400-I408 HydrophobicContact CB-CG1 4.13Å; A400-I427 HydrophobicContact CB-CD1 3.55Å; A400-I427 HydrophobicContact CB-CG1 4.29Å; A400-I436 HydrophobicContact CB-CD1 4.46Å
401	K	98.3	Very high	98.5	Very high	123 Å²	123	53.6 Å²	53.6	54%	0.535	29%	0.291	S	S	.	.	H	α-helix	trans	-77.3	-33.2	174.1	-70.9	166.2	-171.8	166.1	0	112.6	L397 D398 H399 I408 G412	L397-K401 WeakPolarHBondContact O-CG 3.32Å; L397-K401 PolarHBondContact O-N 2.97Å; D398-K401 PolarHBondContact O-N 2.91Å; D398-K401 VanDerWaalsContact O-N 3.15Å; H399-K401 VanDerWaalsContact C-N 3.25Å; H399-K401 PolarHBondContact O-N 2.97Å; K401-I408 HydrophobicContact CG-CD1 3.68Å; K401-G412 WeakPolarHBondContact CE-O 3.3Å; K401-G412 PolarHBondContact NZ-O 3.22Å
402	S	97.9	Very high	98.4	Very high	95 Å²	95	51.8 Å²	51.8	66%	0.664	28%	0.276	S	S	*	.	H	α-helix	trans	-86.9	-26.9	-176.3	66.6	0	0	0	0	114.6	D398 H399	D398-S402 PolarHBondContact O-N 3.38Å; D398-S402 PolarHBondContact O-OG 3.44Å; H399-S402 PolarHBondContact O-N 3.22Å; H399-S402 VanDerWaalsContact O-N 3.09Å; H399-S402 PolarHBondContact O-OG 3Å
403	S	97.9	Very high	98.4	Very high	23 Å²	23	55.6 Å²	55.6	16%	0.161	30%	0.295	C	S	.	.			trans	-77.9	129.2	-176.1	178.2	0	0	0	0	111.3	H399 N405 L406	H399-S403 WeakPolarHBondContact O-CB 3.48Å; H399-S403 PolarHBondContact O-N 3.33Å; S403-N405 PolarHBondContact O-N 3.18Å; S403-N405 PolarHBondContact OG-N 2.81Å; S403-L406 PolarHBondContact O-N 2.82Å
404	S	97.3	Very high	98.4	Very high	104 Å²	104	57.5 Å²	57.5	73%	0.727	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-14.2	175.2	57.2	0	0	0	0	113.8
405	N	97.4	Very high	98.4	Very high	60 Å²	60	57.1 Å²	57.1	32%	0.321	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-15.7	176.6	-71.5	-27.5	0	0	0	112.9	S403 T429 K430 D431	S403-N405 PolarHBondContact O-N 3.18Å; S403-N405 PolarHBondContact OG-N 2.81Å; N405-T429 CarbonylContact O-C 3.57Å; N405-T429 WeakPolarHBondContact O-CA 3.41Å; N405-K430 PolarHBondContact O-N 3.39Å; N405-D431 HydrophobicContact CB-CB 4.2Å
406	L	98.7	Very high	98.4	Very high	15 Å²	15	53.4 Å²	53.4	8%	0.079	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	140.3	-174	-58.4	-178.6	0	0	0	110.7	A400 S403 I427 V428 T429 D434 I436	A400-L406 HydrophobicContact CB-CD1 4.21Å; S403-L406 PolarHBondContact O-N 2.82Å; L406-I427 HydrophobicContact CB-CG2 4.01Å; L406-I427 HydrophobicContact CD2-CG2 4.03Å; L406-I427 HydrophobicContact CG-CG2 4.47Å; L406-V428 WeakPolarHBondContact CA-O 3.47Å; L406-T429 VanDerWaalsContact CD2-CB 3.44Å; L406-T429 WeakPolarHBondContact CD2-OG1 3.23Å; L406-D434 HydrophobicContact CD2-CB 4.43Å; L406-I436 HydrophobicContact CD1-CD1 4.37Å; L406-I436 HydrophobicContact CD1-CG2 4.08Å; L406-I436 HydrophobicContact CD2-CG2 3.99Å
407	S	98.8	Very high	98.4	Very high	66 Å²	66	55.7 Å²	55.7	46%	0.462	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	116.4	174.3	-176.2	0	0	0	0	109.6	I409 I427 V428	S407-I409 PolarHBondContact O-N 3Å; S407-I427 CarbonylContact O-C 3.54Å; S407-I427 WeakPolarHBondContact O-CA 3.22Å; S407-V428 PolarHBondContact N-O 3.24Å; S407-V428 PolarHBondContact O-N 3.35Å
408	I	98.8	Very high	98.3	Very high	49 Å²	49	63.1 Å²	63.1	25%	0.251	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	115.5	170.1	-60.4	171.4	0	0	0	107.5	A400 K401 A410 T425 I427	A400-I408 HydrophobicContact CB-CD1 4.15Å; A400-I408 HydrophobicContact CB-CG1 4.13Å; K401-I408 HydrophobicContact CG-CD1 3.68Å; I408-A410 WeakPolarHBondContact CG2-O 3.39Å; I408-T425 HydrophobicContact CG2-CG2 4.1Å; I408-I427 HydrophobicContact CG1-CG1 4.07Å
409	I	98.7	Very high	98.3	Very high	37 Å²	37	59.5 Å²	59.5	19%	0.19	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	-14.2	179.2	61.6	163.6	0	0	0	112.9	W354 R358 L362 S407 I426 V428	W354-I409 HydrophobicContact CH2-CD1 3.9Å; W354-I409 HydrophobicContact CZ2-CD1 4.12Å; R358-I409 HydrophobicContact CG-CD1 4.25Å; L362-I409 HydrophobicContact CD2-CB 4.5Å; L362-I409 HydrophobicContact CD2-CD1 4.21Å; L362-I409 HydrophobicContact CD2-CG1 4.27Å; L362-I409 WeakPolarHBondContact CD2-O 3.48Å; S407-I409 PolarHBondContact O-N 3Å; I409-I426 HydrophobicContact CD1-CB 4.44Å; I409-I426 HydrophobicContact CD1-CG2 3.73Å; I409-I426 HydrophobicContact CG1-CB 3.97Å; I409-I426 HydrophobicContact CG1-CG2 3.71Å; I409-I426 WeakPolarHBondContact CG1-O 3.23Å; I409-I426 PolarHBondContact N-O 3.26Å; I409-V428 HydrophobicContact CD1-CG2 3.75Å; I409-V428 HydrophobicContact CG1-CG2 4.14Å; I409-V428 HydrophobicContact CG2-CG2 3.85Å
410	A	98.8	Very high	98.3	Very high	12 Å²	12	58.2 Å²	58.2	10%	0.099	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	144.9	175.1	0	0	0	0	0	110.4	L362 H365 I408 T425 I426	L362-A410 HydrophobicContact CD2-CB 3.52Å; H365-A410 HydrophobicContact CB-CB 4.47Å; I408-A410 WeakPolarHBondContact CG2-O 3.39Å; A410-T425 WeakPolarHBondContact O-CA 3.48Å; A410-I426 HydrophobicContact CB-CB 4.18Å; A410-I426 HydrophobicContact CB-CD1 4.19Å; A410-I426 HydrophobicContact CB-CG1 4.31Å; A410-I426 PolarHBondContact N-O 3.39Å; A410-I426 PolarHBondContact O-N 2.91Å
411	G	98.6	Very high	98.3	Very high	25 Å²	25	60.3 Å²	60.3	26%	0.258	34%	0.337	S	S	.	.			trans	76.3	-139.6	178.4	0	0	0	0	0	114.2	H365 E423 P424	H365-G411 PolarHBondContact CE1-N 3Å; G411-E423 WeakPolarHBondContact CA-OE2 3.17Å; G411-P424 WeakPolarHBondContact CA-O 3.33Å
412	G	97.8	Very high	98.4	Very high	3 Å²	3	54.5 Å²	54.5	3%	0.031	31%	0.312	C	S	.	.			trans	92.7	5.3	176.2	0	0	0	0	0	115.8	K401 T425	K401-G412 WeakPolarHBondContact CE-O 3.3Å; K401-G412 PolarHBondContact NZ-O 3.22Å; G412-T425 PolarHBondContact N-OG1 3.39Å
413	K	98.3	Very high	98.4	Very high	144 Å²	144	53.3 Å²	53.3	63%	0.626	30%	0.296	S	S	*	.			trans	-103	155.2	172.5	-55.6	174.3	-175.5	168.8	0	111.5	E423	K413-E423 HydrophobicContact CB-CG 4.22Å; K413-E423 PolarHBondContact O-N 3.17Å
414	C	98.4	Very high	98.4	Very high	39 Å²	39	52.5 Å²	52.5	26%	0.264	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	150.1	174.6	60.5	0	0	0	0	109.2	F390 L397 F421 V422	F390-C414 HydrophobicContact CE2-CB 3.66Å; F390-C414 HydrophobicContact CZ-CB 3.74Å; L397-C414 HydrophobicContact CD1-CB 4.41Å; C414-F421 CarbonylContact C-O 3.52Å; C414-F421 WeakPolarHBondContact CA-O 3.3Å; C414-F421 WeakPolarHBondContact CB-O 3.43Å; C414-V422 HydrophobicContact CB-CB 4.42Å; C414-V422 HydrophobicContact CB-CG1 4.36Å; C414-V422 HydrophobicContact CB-CG2 4.05Å
415	D	98.5	Very high	98.5	Very high	86 Å²	86	47.5 Å²	47.5	46%	0.46	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	124.3	-179.6	-178.8	3.3	0	0	0	108.7	S417 F421	D415-S417 VanDerWaalsContact CG-OG 3.29Å; D415-S417 WeakPolarHBondContact OD1-CB 3.3Å; D415-S417 PolarHBondContact OD1-N 3.12Å; D415-S417 PolarHBondContact OD1-OG 3.16Å; D415-S417 PolarHBondContact OD2-OG 3.49Å; D415-S417 VanDerWaalsContact OD2-OG 3.11Å; D415-F421 PolarHBondContact N-O 3.22Å; D415-F421 PolarHBondContact O-N 2.8Å
416	D	98.4	Very high	98.6	Very high	80 Å²	80	44.7 Å²	44.7	43%	0.428	24%	0.24	S	C	.	.			trans	-108.5	13.4	177.3	60	-11.8	0	0	0	113.2	H80 F390 K418 G419 Y420	H80-D416 PolarHBondContact NE2-O 2.93Å; F390-D416 HydrophobicContact CD1-CB 3.98Å; F390-D416 HydrophobicContact CD2-CB 4.23Å; F390-D416 HydrophobicContact CE1-CB 3.63Å; F390-D416 WeakPolarHBondContact CE1-OD2 3.3Å; F390-D416 HydrophobicContact CE2-CB 3.87Å; F390-D416 HydrophobicContact CG-CB 4.27Å; F390-D416 HydrophobicContact CZ-CB 3.58Å; D416-K418 VanDerWaalsContact C-N 3.34Å; D416-K418 PolarHBondContact O-N 2.86Å; D416-G419 VanDerWaalsContact CA-O 3.31Å; D416-G419 WeakPolarHBondContact CA-O 3.14Å; D416-Y420 HydrophobicContact CB-CD1 4.16Å
417	S	98.3	Very high	98.6	Very high	79 Å²	79	44 Å²	44	55%	0.552	24%	0.236	S	C	*	.	S	Bend	trans	-64.7	-32.9	-177.2	63.2	0	0	0	0	114.2	D415	D415-S417 VanDerWaalsContact CG-OG 3.29Å; D415-S417 WeakPolarHBondContact OD1-CB 3.3Å; D415-S417 PolarHBondContact OD1-N 3.12Å; D415-S417 PolarHBondContact OD1-OG 3.16Å; D415-S417 PolarHBondContact OD2-OG 3.49Å; D415-S417 VanDerWaalsContact OD2-OG 3.11Å
418	K	97.8	Very high	98.6	Very high	156 Å²	156	42.1 Å²	42.1	68%	0.678	22%	0.223	S	C	*	.	S	Bend	trans	-120.5	-42.8	179.1	-69.8	-174.5	177.6	-178.7	0	113.8	N79 H80 D416	N79-K418 CarbonylContact C-O 3.58Å; N79-K418 VanDerWaalsContact CA-O 3.31Å; N79-K418 WeakPolarHBondContact CA-O 3.21Å; H80-K418 PolarHBondContact CD2-O 3.35Å; H80-K418 VanDerWaalsContact CD2-O 3.26Å; H80-K418 PolarHBondContact CE1-O 3.28Å; H80-K418 PolarHBondContact N-O 2.81Å; H80-K418 VanDerWaalsContact NE2-C 3.31Å; H80-K418 PolarHBondContact NE2-O 3.23Å; D416-K418 VanDerWaalsContact C-N 3.34Å; D416-K418 PolarHBondContact O-N 2.86Å
419	G	98.5	Very high	98.6	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.212	C	C	.	.	S	Bend	trans	-149	166.1	177.7	0	0	0	0	0	107.7	P77 D416 F421	P77-G419 CarbonylContact O-C 3.59Å; P77-G419 WeakPolarHBondContact O-CA 2.97Å; D416-G419 VanDerWaalsContact CA-O 3.31Å; D416-G419 WeakPolarHBondContact CA-O 3.14Å; G419-F421 WeakPolarHBondContact O-CD2 3.47Å; G419-F421 PolarHBondContact O-N 2.84Å
420	Y	98.9	Very high	98.6	Very high	24 Å²	24	46 Å²	46	9%	0.094	24%	0.236	C	C	.	.			trans	-80.4	64.9	-174.2	-53.6	-64.1	0	0	0	111.8	P77 H80 A383 V384 D387 F390 D416	P77-Y420 WeakPolarHBondContact O-CD2 3.33Å; P77-Y420 PolarHBondContact O-N 3.18Å; H80-Y420 HydrophobicContact CB-CE2 3.97Å; H80-Y420 AromaticContact CD2-CE1 3.86Å; H80-Y420 AromaticContact CD2-CZ 3.91Å; A383-Y420 CarbonylContact C-O 3.03Å; A383-Y420 VanDerWaalsContact CA-O 3.3Å; A383-Y420 WeakPolarHBondContact CA-O 3.45Å; A383-Y420 WeakPolarHBondContact CB-O 3.36Å; V384-Y420 WeakPolarHBondContact CG2-O 3.27Å; V384-Y420 PolarHBondContact N-O 3.5Å; V384-Y420 WeakPolarHBondContact O-CB 3.32Å; D387-Y420 HydrophobicContact CB-CE1 3.77Å; F390-Y420 HydrophobicContact CB-CD1 4.1Å; F390-Y420 HydrophobicContact CB-CG 4.41Å; F390-Y420 HydrophobicContact CG-CD1 4.39Å; D416-Y420 HydrophobicContact CB-CD1 4.16Å
421	F	98.9	Very high	98.6	Very high	46 Å²	46	48.1 Å²	48.1	20%	0.202	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	128.8	-171.9	-67.9	-73.1	0	0	0	112.4	F78 V370 A383 F390 C414 D415 G419	F78-F421 HydrophobicContact CB-CE1 4.08Å; F78-F421 HydrophobicContact CB-CZ 3.69Å; V370-F421 HydrophobicContact CG1-CD1 3.86Å; V370-F421 HydrophobicContact CG1-CE1 4.49Å; A383-F421 HydrophobicContact CB-CD1 3.86Å; A383-F421 HydrophobicContact CB-CE1 3.92Å; A383-F421 HydrophobicContact CB-CG 4.28Å; A383-F421 HydrophobicContact CB-CZ 4.37Å; F390-F421 WeakPolarHBondContact CE2-O 3.42Å; C414-F421 CarbonylContact C-O 3.52Å; C414-F421 WeakPolarHBondContact CA-O 3.3Å; C414-F421 WeakPolarHBondContact CB-O 3.43Å; D415-F421 PolarHBondContact N-O 3.22Å; D415-F421 PolarHBondContact O-N 2.8Å; G419-F421 WeakPolarHBondContact O-CD2 3.47Å; G419-F421 PolarHBondContact O-N 2.84Å
422	V	98.9	Very high	98.5	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.006	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	127.6	173.2	-175	0	0	0	0	108.6	V384 F390 I393 L397 C414 P444	V384-V422 HydrophobicContact CG1-CG2 4.26Å; V384-V422 HydrophobicContact CG2-CG2 4.23Å; F390-V422 HydrophobicContact CD2-CG2 3.94Å; F390-V422 HydrophobicContact CE2-CG2 4.17Å; I393-V422 HydrophobicContact CG2-CG1 3.82Å; I393-V422 HydrophobicContact CG2-CG2 4.23Å; L397-V422 HydrophobicContact CD1-CG1 4.02Å; C414-V422 HydrophobicContact CB-CB 4.42Å; C414-V422 HydrophobicContact CB-CG1 4.36Å; C414-V422 HydrophobicContact CB-CG2 4.05Å; V422-P444 HydrophobicContact CB-CG 3.94Å; V422-P444 HydrophobicContact CG1-CG 3.87Å
423	E	98.7	Very high	98.4	Very high	71 Å²	71	52.6 Å²	52.6	33%	0.332	26%	0.261	S	S	.	.			trans	-66.1	145.3	176.4	-72.4	-177.3	175.7	0	0	111.2	G411 K413 T425	G411-E423 WeakPolarHBondContact CA-OE2 3.17Å; K413-E423 HydrophobicContact CB-CG 4.22Å; K413-E423 PolarHBondContact O-N 3.17Å; E423-T425 PolarHBondContact O-N 3Å; E423-T425 VanDerWaalsContact O-N 3.09Å; E423-T425 PolarHBondContact O-OG1 3.03Å
424	P	98.8	Very high	98.4	Very high	5 Å²	5	46 Å²	46	3%	0.032	23%	0.233	C	C	.	.			trans	-58.3	121	170.1	26.8	-32	0	0	0	108.3	F334 H365 I368 F381 G411	F334-P424 HydrophobicContact CB-CB 4.5Å; F334-P424 HydrophobicContact CD1-CB 3.74Å; F334-P424 HydrophobicContact CD2-CB 3.91Å; F334-P424 HydrophobicContact CE1-CB 3.84Å; F334-P424 HydrophobicContact CE2-CB 3.99Å; F334-P424 HydrophobicContact CG-CB 3.79Å; F334-P424 HydrophobicContact CZ-CB 3.96Å; H365-P424 PolarHBondContact CD2-O 3.24Å; H365-P424 PolarHBondContact NE2-O 2.65Å; I368-P424 HydrophobicContact CB-CG 4.22Å; I368-P424 HydrophobicContact CD1-CB 4.32Å; I368-P424 HydrophobicContact CD1-CG 4.15Å; I368-P424 HydrophobicContact CG2-CG 3.85Å; F381-P424 HydrophobicContact CE1-CB 3.98Å; F381-P424 HydrophobicContact CE1-CG 4.03Å; F381-P424 HydrophobicContact CZ-CB 4.16Å; F381-P424 HydrophobicContact CZ-CG 4.3Å; G411-P424 WeakPolarHBondContact CA-O 3.33Å
425	T	98.9	Very high	98.4	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	127	-171.4	-59.7	0	0	0	0	109.9	L397 I408 A410 G412 E423 I427 P444 L446	L397-T425 HydrophobicContact CD2-CG2 3.75Å; I408-T425 HydrophobicContact CG2-CG2 4.1Å; A410-T425 WeakPolarHBondContact O-CA 3.48Å; G412-T425 PolarHBondContact N-OG1 3.39Å; E423-T425 PolarHBondContact O-N 3Å; E423-T425 VanDerWaalsContact O-N 3.09Å; E423-T425 PolarHBondContact O-OG1 3.03Å; T425-I427 HydrophobicContact CG2-CD1 4.26Å; T425-I427 HydrophobicContact CG2-CG1 4.01Å; T425-P444 PolarHBondContact N-O 2.89Å; T425-L446 PolarHBondContact O-N 2.75Å
426	I	98.9	Very high	98.4	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	121.7	177.1	-54.2	173.2	0	0	0	108.5	F334 L361 H365 I409 A410 I448	F334-I426 HydrophobicContact CE2-CD1 4.48Å; F334-I426 HydrophobicContact CE2-CG1 4.26Å; F334-I426 HydrophobicContact CZ-CD1 4.5Å; F334-I426 HydrophobicContact CZ-CG1 3.81Å; L361-I426 HydrophobicContact CB-CD1 4.26Å; H365-I426 HydrophobicContact CB-CD1 4.43Å; I409-I426 HydrophobicContact CD1-CB 4.44Å; I409-I426 HydrophobicContact CD1-CG2 3.73Å; I409-I426 HydrophobicContact CG1-CB 3.97Å; I409-I426 HydrophobicContact CG1-CG2 3.71Å; I409-I426 WeakPolarHBondContact CG1-O 3.23Å; I409-I426 PolarHBondContact N-O 3.26Å; A410-I426 HydrophobicContact CB-CB 4.18Å; A410-I426 HydrophobicContact CB-CD1 4.19Å; A410-I426 HydrophobicContact CB-CG1 4.31Å; A410-I426 PolarHBondContact N-O 3.39Å; A410-I426 PolarHBondContact O-N 2.91Å; I426-I448 HydrophobicContact CG2-CD1 3.59Å; I426-I448 HydrophobicContact CG2-CG1 4.24Å
427	I	98.9	Very high	98.4	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	138.3	-178	-61.4	165.6	0	0	0	108.5	A400 L406 S407 I408 T425 I436 V445 L446 T447 I448	A400-I427 HydrophobicContact CB-CD1 3.55Å; A400-I427 HydrophobicContact CB-CG1 4.29Å; L406-I427 HydrophobicContact CB-CG2 4.01Å; L406-I427 HydrophobicContact CD2-CG2 4.03Å; L406-I427 HydrophobicContact CG-CG2 4.47Å; S407-I427 CarbonylContact O-C 3.54Å; S407-I427 WeakPolarHBondContact O-CA 3.22Å; I408-I427 HydrophobicContact CG1-CG1 4.07Å; T425-I427 HydrophobicContact CG2-CD1 4.26Å; T425-I427 HydrophobicContact CG2-CG1 4.01Å; I427-I436 HydrophobicContact CD1-CD1 3.5Å; I427-I436 VanDerWaalsContact CD1-CD1 3.5Å; I427-V445 HydrophobicContact CD1-CG1 3.64Å; I427-L446 PolarHBondContact N-O 3.1Å; I427-T447 HydrophobicContact CB-CG2 4.39Å; I427-T447 HydrophobicContact CG2-CG2 4.2Å; I427-T447 CarbonylContact O-C 3.57Å; I427-T447 WeakPolarHBondContact O-CA 3.41Å; I427-I448 PolarHBondContact O-N 3.16Å
428	V	98.9	Very high	98.3	Very high	28 Å²	28	37.9 Å²	37.9	17%	0.17	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	129.8	166.6	-178.4	0	0	0	0	108.3	W354 L406 S407 I409 I448 V450	W354-V428 HydrophobicContact CH2-CG2 4.06Å; W354-V428 HydrophobicContact CZ2-CG2 3.67Å; L406-V428 WeakPolarHBondContact CA-O 3.47Å; S407-V428 PolarHBondContact N-O 3.24Å; S407-V428 PolarHBondContact O-N 3.35Å; I409-V428 HydrophobicContact CD1-CG2 3.75Å; I409-V428 HydrophobicContact CG1-CG2 4.14Å; I409-V428 HydrophobicContact CG2-CG2 3.85Å; V428-I448 CarbonylContact C-O 3.54Å; V428-I448 WeakPolarHBondContact CA-O 3.04Å; V428-V450 HydrophobicContact CG1-CG2 4.41Å
429	T	98.8	Very high	98.3	Very high	4 Å²	4	35.2 Å²	35.2	3%	0.025	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	141	174.6	-173.6	0	0	0	0	111.5	N405 L406 D431 M437 T447 I448 Y449	N405-T429 CarbonylContact O-C 3.57Å; N405-T429 WeakPolarHBondContact O-CA 3.41Å; L406-T429 VanDerWaalsContact CD2-CB 3.44Å; L406-T429 WeakPolarHBondContact CD2-OG1 3.23Å; T429-D431 WeakPolarHBondContact CG2-O 3.35Å; T429-D431 PolarHBondContact OG1-N 2.88Å; T429-D431 PolarHBondContact OG1-O 2.78Å; T429-M437 HydrophobicContact CG2-CG 4.05Å; T429-M437 HydrophobicContact CG2-SD 4.06Å; T429-T447 HydrophobicContact CG2-CG2 3.78Å; T429-I448 PolarHBondContact N-O 3.47Å; T429-Y449 HydrophobicContact CG2-CD2 4.21Å
430	K	98.4	Very high	98.2	Very high	163 Å²	163	37.4 Å²	37.4	71%	0.709	18%	0.184	S	C	*	.	S	Bend	trans	-85.3	-18.5	165.6	-62.8	178	-175.3	169.5	0	112.4	N405	N405-K430 PolarHBondContact O-N 3.39Å
431	D	98.2	Very high	98.2	Very high	56 Å²	56	36.4 Å²	36.4	30%	0.299	18%	0.18	S	C	.	.			trans	-113.7	109.2	-179.1	-178.7	3.4	0	0	0	109.8	N405 T429 Q433 D434	N405-D431 HydrophobicContact CB-CB 4.2Å; T429-D431 WeakPolarHBondContact CG2-O 3.35Å; T429-D431 PolarHBondContact OG1-N 2.88Å; T429-D431 PolarHBondContact OG1-O 2.78Å; D431-Q433 PolarHBondContact O-N 3.23Å; D431-Q433 WeakPolarHBondContact OD1-CA 3.28Å; D431-Q433 WeakPolarHBondContact OD1-CB 3.39Å; D431-Q433 PolarHBondContact OD1-N 3.41Å; D431-D434 HydrophobicContact CB-CB 4.38Å; D431-D434 PolarHBondContact O-N 3.24Å
432	P	97.2	Very high	98.1	Very high	18 Å²	18	35.6 Å²	35.6	12%	0.117	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-6.2	179.4	30.5	-33.2	0	0	0	113.5	M437 Y449 L462 T466	P432-M437 WeakPolarHBondContact O-CB 3.17Å; P432-Y449 HydrophobicContact CB-CD1 4Å; P432-Y449 HydrophobicContact CB-CD2 3.8Å; P432-Y449 HydrophobicContact CB-CE1 4.1Å; P432-Y449 HydrophobicContact CB-CE2 3.93Å; P432-Y449 HydrophobicContact CB-CG 3.83Å; P432-Y449 HydrophobicContact CG-CD2 4.22Å; P432-Y449 HydrophobicContact CG-CE1 4.23Å; P432-Y449 HydrophobicContact CG-CE2 3.83Å; P432-L462 HydrophobicContact CB-CD1 4.22Å; P432-L462 HydrophobicContact CB-CD2 3.64Å; P432-L462 HydrophobicContact CB-CG 4.27Å; P432-L462 HydrophobicContact CG-CD1 4.19Å; P432-L462 HydrophobicContact CG-CD2 3.79Å; P432-T466 WeakPolarHBondContact O-CG2 3.47Å
433	Q	96.8	Very high	98.1	Very high	105 Å²	105	35.9 Å²	35.9	49%	0.491	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	4.7	178.7	-61.7	-80.4	79.8	0	0	112.6	D431 T466	D431-Q433 PolarHBondContact O-N 3.23Å; D431-Q433 WeakPolarHBondContact OD1-CA 3.28Å; D431-Q433 WeakPolarHBondContact OD1-CB 3.39Å; D431-Q433 PolarHBondContact OD1-N 3.41Å; Q433-T466 PolarHBondContact OE1-OG1 2.99Å; Q433-T466 VanDerWaalsContact OE1-OG1 3.14Å
434	D	98.3	Very high	98.1	Very high	5 Å²	5	32.5 Å²	32.5	3%	0.027	16%	0.164	C	C	.	.	S	Bend	trans	-52.3	142.8	174.3	-174	-76.1	0	0	0	110.1	H399 L406 D431 I436 M437	H399-D434 IonicContact CD2-OD1 2.86Å; H399-D434 IonicContact CE1-OD1 2.66Å; H399-D434 IonicContact CE1-OD2 3.96Å; H399-D434 IonicContact NE2-OD1 3.91Å; H399-D434 PolarHBondContact NE2-OD1 2.98Å; H399-D434 IonicContact NE2-OD2 2.64Å; H399-D434 PolarHBondContact NE2-OD2 3.48Å; L406-D434 HydrophobicContact CD2-CB 4.43Å; D431-D434 HydrophobicContact CB-CB 4.38Å; D431-D434 PolarHBondContact O-N 3.24Å; D434-I436 HydrophobicContact CB-CG2 4.24Å; D434-I436 PolarHBondContact O-N 3.15Å; D434-I436 WeakPolarHBondContact OD1-CB 3.25Å; D434-I436 VanDerWaalsContact OD1-CG2 3.24Å; D434-I436 WeakPolarHBondContact OD1-CG2 3.36Å; D434-I436 PolarHBondContact OD1-N 2.93Å; D434-M437 WeakPolarHBondContact O-CA 3.3Å; D434-M437 WeakPolarHBondContact O-CB 3.12Å; D434-M437 PolarHBondContact O-N 3.18Å
435	P	98	Very high	98.1	Very high	57 Å²	57	32.4 Å²	32.4	37%	0.37	16%	0.163	S	C	.	.	H	α-helix	trans	-48.2	-33.2	178.3	-31.2	36.5	0	0	0	114.2	W396 M437 N438 E439	W396-P435 HydrophobicContact CH2-CB 3.95Å; W396-P435 HydrophobicContact CZ3-CB 4.08Å; P435-M437 PolarHBondContact O-N 2.88Å; P435-N438 PolarHBondContact O-N 2.91Å; P435-E439 PolarHBondContact O-N 3.42Å
436	I	98.1	Very high	98.1	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-64.7	-21.6	177.9	-153	172.1	0	0	0	113.3	K311 W396 A400 L406 I427 D434 I441 V445 T447	K311-I436 WeakPolarHBondContact CE-O 3.34Å; K311-I436 PolarHBondContact NZ-O 3.26Å; W396-I436 HydrophobicContact CE3-CB 4.03Å; W396-I436 HydrophobicContact CE3-CD1 4.28Å; W396-I436 HydrophobicContact CE3-CG1 3.75Å; W396-I436 HydrophobicContact CZ3-CB 3.87Å; W396-I436 HydrophobicContact CZ3-CG1 4.1Å; A400-I436 HydrophobicContact CB-CD1 4.46Å; L406-I436 HydrophobicContact CD1-CD1 4.37Å; L406-I436 HydrophobicContact CD1-CG2 4.08Å; L406-I436 HydrophobicContact CD2-CG2 3.99Å; I427-I436 HydrophobicContact CD1-CD1 3.5Å; I427-I436 VanDerWaalsContact CD1-CD1 3.5Å; D434-I436 HydrophobicContact CB-CG2 4.24Å; D434-I436 PolarHBondContact O-N 3.15Å; D434-I436 WeakPolarHBondContact OD1-CB 3.25Å; D434-I436 VanDerWaalsContact OD1-CG2 3.24Å; D434-I436 WeakPolarHBondContact OD1-CG2 3.36Å; D434-I436 PolarHBondContact OD1-N 2.93Å; I436-I441 HydrophobicContact CD1-CD1 4.34Å; I436-I441 HydrophobicContact CG1-CD1 3.71Å; I436-V445 HydrophobicContact CD1-CG1 4.28Å; I436-T447 HydrophobicContact CG2-CG2 3.81Å
437	M	98.4	Very high	98.1	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-86.2	-16.1	174.9	-67.3	-68.4	-77.1	0	0	112.8	K311 R346 Y348 T429 P432 D434 P435 T447 T466	K311-M437 WeakPolarHBondContact CE-O 3.41Å; K311-M437 WeakPolarHBondContact CG-O 3.44Å; R346-M437 HydrophobicContact CB-CE 3.67Å; R346-M437 HydrophobicContact CB-SD 3.77Å; R346-M437 WeakPolarHBondContact CD-O 3.32Å; Y348-M437 HydrophobicContact CE1-CE 3.91Å; Y348-M437 HydrophobicContact CE2-CE 4.15Å; T429-M437 HydrophobicContact CG2-CG 4.05Å; T429-M437 HydrophobicContact CG2-SD 4.06Å; P432-M437 WeakPolarHBondContact O-CB 3.17Å; D434-M437 WeakPolarHBondContact O-CA 3.3Å; D434-M437 WeakPolarHBondContact O-CB 3.12Å; D434-M437 PolarHBondContact O-N 3.18Å; P435-M437 PolarHBondContact O-N 2.88Å; M437-T447 HydrophobicContact CG-CG2 4.15Å; M437-T447 VanDerWaalsContact SD-CB 3.59Å; M437-T447 HydrophobicContact SD-CG2 3.4Å; M437-T447 WeakPolarHBondContact SD-CG2 3.26Å; M437-T466 HydrophobicContact CB-CG2 3.97Å
438	N	96.4	Very high	98.1	Very high	56 Å²	56	32.4 Å²	32.4	30%	0.299	16%	0.163	S	C	.	.	H	α-helix	trans	-104.7	-43.9	-174.5	-173.6	-36.1	0	0	0	112.3	P435 T466 S467 P468	P435-N438 PolarHBondContact O-N 2.91Å; N438-T466 PolarHBondContact ND2-O 3.44Å; N438-S467 PolarHBondContact O-OG 3.01Å; N438-P468 WeakPolarHBondContact OD1-CD 3.4Å
439	E	97.1	Very high	98.1	Very high	100 Å²	100	33.2 Å²	33.2	47%	0.467	16%	0.163	S	C	.	.	S	Bend	trans	-90.8	139.7	-170.1	-64.6	-176	-139.3	0	0	113.3	K311 W396 P435 I441	K311-E439 VanDerWaalsContact CD-O 3.26Å; K311-E439 WeakPolarHBondContact CD-O 3.4Å; K311-E439 WeakPolarHBondContact CE-O 3.38Å; K311-E439 PolarHBondContact NZ-O 2.81Å; W396-E439 HydrophobicContact CH2-CB 3.78Å; W396-E439 HydrophobicContact CH2-CG 4.22Å; W396-E439 HydrophobicContact CZ2-CB 3.56Å; W396-E439 HydrophobicContact CZ2-CG 4.27Å; W396-E439 WeakPolarHBondContact CZ2-OE2 3.44Å; P435-E439 PolarHBondContact O-N 3.42Å; E439-I441 PolarHBondContact O-N 3.42Å
440	E	97.3	Very high	98.2	Very high	46 Å²	46	34.8 Å²	34.8	22%	0.215	17%	0.173	C	C	.	.			trans	-71.8	124.6	177.8	-174.5	179.4	-129.2	0	0	110.8	G309 G310 F442 Y469	G309-E440 VanDerWaalsContact CA-OE1 3.32Å; G309-E440 WeakPolarHBondContact CA-OE1 3.23Å; G310-E440 PolarHBondContact N-OE1 3.47Å; G310-E440 WeakPolarHBondContact O-CG 3.49Å; E440-F442 HydrophobicContact CG-CB 4.41Å; E440-F442 HydrophobicContact CG-CD2 4.21Å; E440-Y469 HydrophobicContact CB-CE2 4.41Å
441	I	98.1	Very high	98.2	Very high	3 Å²	3	27.1 Å²	27.1	2%	0.015	14%	0.139	C	C	.	.			trans	-93.9	-39.3	-178.9	-58.4	172.1	0	0	0	110.6	R392 I393 W396 I436 E439 V445	R392-I441 PolarHBondContact NE-O 3.37Å; R392-I441 PolarHBondContact NH2-O 3.35Å; I393-I441 HydrophobicContact CG1-CG2 4.07Å; W396-I441 HydrophobicContact CB-CD1 4.49Å; W396-I441 HydrophobicContact CB-CG2 4.39Å; W396-I441 HydrophobicContact CD2-CD1 4.39Å; W396-I441 HydrophobicContact CD2-CG1 4.08Å; W396-I441 HydrophobicContact CG-CD1 4.25Å; W396-I441 HydrophobicContact CG-CG1 3.96Å; W396-I441 HydrophobicContact CG-CG2 4.19Å; I436-I441 HydrophobicContact CD1-CD1 4.34Å; I436-I441 HydrophobicContact CG1-CD1 3.71Å; E439-I441 PolarHBondContact O-N 3.42Å; I441-V445 HydrophobicContact CD1-CB 3.94Å; I441-V445 HydrophobicContact CD1-CG1 3.87Å; I441-V445 HydrophobicContact CG2-CB 4.36Å; I441-V445 HydrophobicContact CG2-CG2 4.19Å
442	F	98.1	Very high	98.2	Very high	30 Å²	30	26.9 Å²	26.9	13%	0.132	14%	0.141	C	C	.	.			trans	55.5	54.6	-175.5	-141.5	-99.9	0	0	0	112.1	F203 N204 Q339 R392 E440	F203-F442 HydrophobicContact CE1-CD1 4.1Å; F203-F442 AromaticContact CE1-CE1 3.68Å; F203-F442 HydrophobicContact CE1-CE1 3.68Å; F203-F442 HydrophobicContact CE2-CE1 4.21Å; F203-F442 AromaticContact CZ-CD1 3.72Å; F203-F442 HydrophobicContact CZ-CD1 3.72Å; F203-F442 AromaticContact CZ-CE1 3.32Å; F203-F442 HydrophobicContact CZ-CE1 3.32Å; F203-F442 HydrophobicContact CZ-CZ 4.5Å; N204-F442 HydrophobicContact CB-CE1 4.15Å; N204-F442 HydrophobicContact CB-CZ 4.12Å; Q339-F442 VanDerWaalsContact C-CE1 3.45Å; Q339-F442 VanDerWaalsContact C-CZ 3.44Å; Q339-F442 HydrophobicContact CB-CD1 3.87Å; Q339-F442 HydrophobicContact CB-CE1 3.68Å; Q339-F442 HydrophobicContact CG-CD1 4.18Å; Q339-F442 HydrophobicContact CG-CE1 4.45Å; Q339-F442 WeakPolarHBondContact O-CE1 3.5Å; Q339-F442 WeakPolarHBondContact O-CZ 3.21Å; R392-F442 PolarHBondContact NH2-O 3.32Å; E440-F442 HydrophobicContact CG-CB 4.41Å; E440-F442 HydrophobicContact CG-CD2 4.21Å
443	G	98.6	Very high	98.2	Very high	7 Å²	7	29.5 Å²	29.5	7%	0.072	15%	0.152	C	C	.	.	S	Bend	trans	-163.4	172.3	-174.7	0	0	0	0	0	110.7	G337 V445	G337-G443 CarbonylContact O-C 3.47Å; G337-G443 WeakPolarHBondContact O-CA 3.31Å; G443-V445 PolarHBondContact O-N 3.32Å
444	P	98.8	Very high	98.2	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.166	C	C	.	.	S	Bend	trans	-82.2	60.8	-170.6	34.8	-36.1	0	0	0	111.2	F334 G337 F381 V422 T425	F334-P444 HydrophobicContact CD1-CB 3.87Å; F334-P444 HydrophobicContact CE1-CB 4.48Å; F334-P444 WeakPolarHBondContact CE1-O 3.37Å; G337-P444 WeakPolarHBondContact O-CD 3.47Å; F381-P444 HydrophobicContact CE2-CB 4.03Å; F381-P444 HydrophobicContact CE2-CG 4.04Å; F381-P444 HydrophobicContact CZ-CB 3.93Å; F381-P444 HydrophobicContact CZ-CG 4.18Å; V422-P444 HydrophobicContact CB-CG 3.94Å; V422-P444 HydrophobicContact CG1-CG 3.87Å; T425-P444 PolarHBondContact N-O 2.89Å
445	V	98.9	Very high	98.2	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.012	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	111.1	-175.2	-175.4	0	0	0	0	109.8	I393 L397 I427 I436 I441 G443	I393-V445 HydrophobicContact CG2-CG2 4.05Å; L397-V445 HydrophobicContact CD2-CG2 4.09Å; I427-V445 HydrophobicContact CD1-CG1 3.64Å; I436-V445 HydrophobicContact CD1-CG1 4.28Å; I441-V445 HydrophobicContact CD1-CB 3.94Å; I441-V445 HydrophobicContact CD1-CG1 3.87Å; I441-V445 HydrophobicContact CG2-CB 4.36Å; I441-V445 HydrophobicContact CG2-CG2 4.19Å; G443-V445 PolarHBondContact O-N 3.32Å
446	L	98.9	Very high	98.2	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	124.5	175.4	177.4	63	0	0	0	109.6	T329 A333 F334 M347 T425 I427 I448	T329-L446 HydrophobicContact CG2-CD1 4.15Å; T329-L446 HydrophobicContact CG2-CD2 3.53Å; A333-L446 HydrophobicContact CB-CB 4.13Å; A333-L446 HydrophobicContact CB-CD1 4.34Å; A333-L446 HydrophobicContact CB-CD2 4.48Å; F334-L446 HydrophobicContact CE1-CB 4.23Å; F334-L446 HydrophobicContact CZ-CB 4.05Å; M347-L446 HydrophobicContact CB-CD1 4.13Å; T425-L446 PolarHBondContact O-N 2.75Å; I427-L446 PolarHBondContact N-O 3.1Å; L446-I448 HydrophobicContact CD2-CD1 4.17Å; L446-I448 HydrophobicContact CD2-CG1 4.26Å; L446-I448 HydrophobicContact CG-CG1 4.09Å
447	T	98.9	Very high	98.2	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	135.4	170.6	-51.1	0	0	0	0	110.4	S345 R346 M347 I427 T429 I436 M437	S345-T447 PolarHBondContact O-N 3.46Å; R346-T447 CarbonylContact C-O 3.47Å; R346-T447 VanDerWaalsContact CA-O 3.25Å; R346-T447 WeakPolarHBondContact CA-O 3.45Å; M347-T447 PolarHBondContact N-O 3.16Å; I427-T447 HydrophobicContact CB-CG2 4.39Å; I427-T447 HydrophobicContact CG2-CG2 4.2Å; I427-T447 CarbonylContact O-C 3.57Å; I427-T447 WeakPolarHBondContact O-CA 3.41Å; T429-T447 HydrophobicContact CG2-CG2 3.78Å; I436-T447 HydrophobicContact CG2-CG2 3.81Å; M437-T447 HydrophobicContact CG-CG2 4.15Å; M437-T447 VanDerWaalsContact SD-CB 3.59Å; M437-T447 HydrophobicContact SD-CG2 3.4Å; M437-T447 WeakPolarHBondContact SD-CG2 3.26Å
448	I	98.9	Very high	98.2	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	127	-175.6	-53.1	-176.7	0	0	0	108.9	M347 V349 W354 L361 I426 I427 V428 T429 L446 V450	M347-I448 HydrophobicContact CB-CG1 4.15Å; M347-I448 HydrophobicContact CB-CG2 4.47Å; M347-I448 CarbonylContact O-C 3.52Å; M347-I448 WeakPolarHBondContact O-CA 3.48Å; M347-I448 HydrophobicContact SD-CD1 4.19Å; M347-I448 HydrophobicContact SD-CG1 4.37Å; V349-I448 HydrophobicContact CG1-CG2 3.59Å; W354-I448 HydrophobicContact CE3-CG2 4.42Å; W354-I448 HydrophobicContact CH2-CD1 3.74Å; W354-I448 HydrophobicContact CH2-CG2 4.17Å; W354-I448 HydrophobicContact CZ3-CD1 3.77Å; W354-I448 HydrophobicContact CZ3-CG2 3.93Å; L361-I448 HydrophobicContact CD1-CD1 3.91Å; I426-I448 HydrophobicContact CG2-CD1 3.59Å; I426-I448 HydrophobicContact CG2-CG1 4.24Å; I427-I448 PolarHBondContact O-N 3.16Å; V428-I448 CarbonylContact C-O 3.54Å; V428-I448 WeakPolarHBondContact CA-O 3.04Å; T429-I448 PolarHBondContact N-O 3.47Å; L446-I448 HydrophobicContact CD2-CD1 4.17Å; L446-I448 HydrophobicContact CD2-CG1 4.26Å; L446-I448 HydrophobicContact CG-CG1 4.09Å; I448-V450 HydrophobicContact CG2-CG2 4.42Å
449	Y	98.9	Very high	98.3	Very high	45 Å²	45	39.5 Å²	39.5	18%	0.176	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	120.1	167.5	179.2	-108.8	0	0	0	109.5	M347 Y348 V349 T429 P432 L462	M347-Y449 PolarHBondContact O-N 2.78Å; Y348-Y449 WeakPolarHBondContact CA-O 3.5Å; Y348-Y449 AromaticContact CD1-CD1 3.95Å; Y348-Y449 HydrophobicContact CD1-CD1 3.95Å; Y348-Y449 HydrophobicContact CE1-CD1 4.42Å; V349-Y449 PolarHBondContact N-O 2.85Å; T429-Y449 HydrophobicContact CG2-CD2 4.21Å; P432-Y449 HydrophobicContact CB-CD1 4Å; P432-Y449 HydrophobicContact CB-CD2 3.8Å; P432-Y449 HydrophobicContact CB-CE1 4.1Å; P432-Y449 HydrophobicContact CB-CE2 3.93Å; P432-Y449 HydrophobicContact CB-CG 3.83Å; P432-Y449 HydrophobicContact CG-CD2 4.22Å; P432-Y449 HydrophobicContact CG-CE1 4.23Å; P432-Y449 HydrophobicContact CG-CE2 3.83Å; Y449-L462 HydrophobicContact CD1-CD2 4.47Å; Y449-L462 HydrophobicContact CE1-CD2 4.13Å
450	V	98.9	Very high	98.4	Very high	38 Å²	38	34.8 Å²	34.8	23%	0.23	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	125.8	176.4	-173.2	0	0	0	0	108.5	V349 D351 W354 V428 I448	V349-V450 HydrophobicContact CG1-CB 4.32Å; V349-V450 HydrophobicContact CG1-CG1 4.44Å; V349-V450 HydrophobicContact CG1-CG2 3.85Å; V349-V450 CarbonylContact O-C 3.47Å; V349-V450 VanDerWaalsContact O-CA 3.29Å; V349-V450 WeakPolarHBondContact O-CA 3.24Å; D351-V450 HydrophobicContact CB-CG1 4.08Å; W354-V450 HydrophobicContact CB-CG1 3.87Å; W354-V450 HydrophobicContact CB-CG2 4.4Å; W354-V450 HydrophobicContact CD2-CG2 3.68Å; W354-V450 HydrophobicContact CE3-CG2 4.35Å; W354-V450 HydrophobicContact CG-CB 4.49Å; W354-V450 HydrophobicContact CG-CG1 3.92Å; W354-V450 HydrophobicContact CG-CG2 3.68Å; W354-V450 HydrophobicContact CZ2-CG2 4.37Å; V428-V450 HydrophobicContact CG1-CG2 4.41Å; I448-V450 HydrophobicContact CG2-CG2 4.42Å
451	Y	98.8	Very high	98.4	Very high	1 Å²	1	38.4 Å²	38.4	0%	0.004	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	152.1	-175.4	74.4	-95.9	0	0	0	112	F315 V316 V349 P350 D351 E453 V459	F315-Y451 HydrophobicContact CE2-CE1 4.2Å; V316-Y451 PolarHBondContact O-OH 3.12Å; V349-Y451 WeakPolarHBondContact O-CD1 3.43Å; V349-Y451 PolarHBondContact O-N 3.07Å; P350-Y451 CarbonylContact C-O 3.57Å; P350-Y451 WeakPolarHBondContact CA-O 3.48Å; P350-Y451 HydrophobicContact CB-CE1 4.22Å; P350-Y451 HydrophobicContact CB-CE2 4.06Å; P350-Y451 VanDerWaalsContact N-CE1 3.33Å; D351-Y451 PolarHBondContact N-O 2.66Å; Y451-E453 PolarHBondContact O-N 3.3Å; Y451-V459 HydrophobicContact CD1-CB 4.5Å; Y451-V459 HydrophobicContact CD1-CG1 3.99Å; Y451-V459 HydrophobicContact CD1-CG2 4.23Å; Y451-V459 HydrophobicContact CD2-CB 4.38Å; Y451-V459 HydrophobicContact CD2-CG2 3.68Å; Y451-V459 HydrophobicContact CE1-CG1 4.32Å; Y451-V459 HydrophobicContact CE2-CG2 4.41Å; Y451-V459 HydrophobicContact CG-CB 4.32Å; Y451-V459 HydrophobicContact CG-CG1 4.22Å; Y451-V459 HydrophobicContact CG-CG2 3.62Å
452	P	98.5	Very high	98.5	Very high	52 Å²	52	40 Å²	40	34%	0.338	19%	0.191	S	C	.	.			trans	-64.3	123.2	173.8	-20.3	32.5	0	0	0	111.1	K454 N455	P452-K454 HydrophobicContact CB-CG 4.49Å; P452-K454 PolarHBondContact O-N 3.1Å; P452-N455 WeakPolarHBondContact O-CB 3.29Å; P452-N455 PolarHBondContact O-N 3.33Å
453	E	97.1	Very high	98.5	Very high	73 Å²	73	38.6 Å²	38.6	34%	0.341	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-45.3	-45	-172.7	179.2	178.6	165.6	0	0	113.8	S318 P350 D351 S352 Y451 N455 Y456	S318-E453 WeakPolarHBondContact CB-OE1 3.35Å; S318-E453 VanDerWaalsContact OG-CD 3.3Å; S318-E453 PolarHBondContact OG-OE1 3.42Å; P350-E453 HydrophobicContact CB-CB 4.08Å; P350-E453 HydrophobicContact CB-CG 4.36Å; D351-E453 PolarHBondContact OD1-N 3.07Å; S352-E453 WeakPolarHBondContact CB-OE2 3.32Å; S352-E453 PolarHBondContact OG-OE2 3.4Å; Y451-E453 PolarHBondContact O-N 3.3Å; E453-N455 PolarHBondContact O-N 3.46Å; E453-Y456 PolarHBondContact O-N 3.02Å
454	K	97.2	Very high	98.5	Very high	183 Å²	183	39.8 Å²	39.8	80%	0.796	19%	0.189	S	C	*	.	G	3₁₀ helix	trans	-60.7	-16.1	-179.7	67	178.9	-174.9	179.7	0	114.8	P452	P452-K454 HydrophobicContact CB-CG 4.49Å; P452-K454 PolarHBondContact O-N 3.1Å
455	N	98.1	Very high	98.4	Very high	50 Å²	50	45.2 Å²	45.2	27%	0.267	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-97.4	11.5	-178.5	-70.2	17.1	0	0	0	113.1	P452 E453 A457 E458 V459	P452-N455 WeakPolarHBondContact O-CB 3.29Å; P452-N455 PolarHBondContact O-N 3.33Å; E453-N455 PolarHBondContact O-N 3.46Å; N455-A457 PolarHBondContact O-N 3.34Å; N455-A457 VanDerWaalsContact O-N 3.07Å; N455-E458 PolarHBondContact ND2-OE2 3.26Å; N455-E458 WeakPolarHBondContact O-CB 3.48Å; N455-E458 PolarHBondContact O-N 3.06Å; N455-V459 PolarHBondContact O-N 3.36Å
456	Y	98.3	Very high	98.4	Very high	59 Å²	59	45.2 Å²	45.2	23%	0.231	22%	0.218	C	C	.	.	H	α-helix	trans	-52.3	-37.9	-173.5	81.3	-94.7	0	0	0	113.8	E453 E458 V459 L460 V482 E485	E453-Y456 PolarHBondContact O-N 3.02Å; Y456-E458 PolarHBondContact O-N 2.95Å; Y456-V459 CarbonylContact O-C 3.49Å; Y456-V459 WeakPolarHBondContact O-CB 3.39Å; Y456-V459 PolarHBondContact O-N 3.03Å; Y456-V459 VanDerWaalsContact O-N 3.12Å; Y456-L460 HydrophobicContact CD2-CD1 4.21Å; Y456-L460 HydrophobicContact CE2-CD1 4.46Å; Y456-L460 WeakPolarHBondContact O-CG 3.26Å; Y456-L460 PolarHBondContact O-N 2.68Å; Y456-V482 HydrophobicContact CD2-CG1 4.43Å; Y456-V482 HydrophobicContact CE2-CG1 4.29Å; Y456-V482 HydrophobicContact CE2-CG2 4.22Å; Y456-E485 PolarHBondContact OH-OE2 2.79Å
457	A	98.1	Very high	98.2	Very high	24 Å²	24	45.5 Å²	45.5	20%	0.198	22%	0.22	C	C	.	.	H	α-helix	trans	-67.2	-34	179.7	0	0	0	0	0	113	N455 R461	N455-A457 PolarHBondContact O-N 3.34Å; N455-A457 VanDerWaalsContact O-N 3.07Å; A457-R461 PolarHBondContact O-NH1 2.76Å; A457-R461 VanDerWaalsContact O-NH1 3.16Å
458	E	98.4	Very high	98.2	Very high	110 Å²	110	48.5 Å²	48.5	51%	0.514	24%	0.24	S	C	.	.	H	α-helix	trans	-68.8	-38.4	170.6	-71.5	173.4	177.6	0	0	111	N455 Y456 L460 R461 L462	N455-E458 PolarHBondContact ND2-OE2 3.26Å; N455-E458 WeakPolarHBondContact O-CB 3.48Å; N455-E458 PolarHBondContact O-N 3.06Å; Y456-E458 PolarHBondContact O-N 2.95Å; E458-L460 PolarHBondContact O-N 2.65Å; E458-R461 WeakPolarHBondContact O-CB 3.32Å; E458-R461 PolarHBondContact O-N 3.25Å; E458-R461 VanDerWaalsContact O-N 3.14Å; E458-L462 PolarHBondContact O-N 3.5Å
459	V	98.6	Very high	98.1	Very high	7 Å²	7	50.1 Å²	50.1	4%	0.042	25%	0.247	C	C	.	.	H	α-helix	trans	-68.1	-34.1	178.7	179.1	0	0	0	0	111.9	F315 Y348 Y451 N455 Y456 R461 L462 V463	F315-V459 HydrophobicContact CD2-CG1 4.15Å; F315-V459 HydrophobicContact CE2-CB 4.19Å; F315-V459 HydrophobicContact CE2-CG1 3.85Å; Y348-V459 HydrophobicContact CD1-CG1 3.78Å; Y348-V459 HydrophobicContact CG-CG1 4.22Å; Y451-V459 HydrophobicContact CD1-CB 4.5Å; Y451-V459 HydrophobicContact CD1-CG1 3.99Å; Y451-V459 HydrophobicContact CD1-CG2 4.23Å; Y451-V459 HydrophobicContact CD2-CB 4.38Å; Y451-V459 HydrophobicContact CD2-CG2 3.68Å; Y451-V459 HydrophobicContact CE1-CG1 4.32Å; Y451-V459 HydrophobicContact CE2-CG2 4.41Å; Y451-V459 HydrophobicContact CG-CB 4.32Å; Y451-V459 HydrophobicContact CG-CG1 4.22Å; Y451-V459 HydrophobicContact CG-CG2 3.62Å; N455-V459 PolarHBondContact O-N 3.36Å; Y456-V459 CarbonylContact O-C 3.49Å; Y456-V459 WeakPolarHBondContact O-CB 3.39Å; Y456-V459 PolarHBondContact O-N 3.03Å; Y456-V459 VanDerWaalsContact O-N 3.12Å; V459-R461 VanDerWaalsContact C-N 3.28Å; V459-R461 PolarHBondContact O-N 3.08Å; V459-L462 WeakPolarHBondContact O-CB 3.48Å; V459-L462 PolarHBondContact O-N 3.12Å; V459-L462 VanDerWaalsContact O-N 3.15Å; V459-V463 HydrophobicContact CG1-CG2 4.35Å; V459-V463 VanDerWaalsContact O-CG2 3.22Å; V459-V463 WeakPolarHBondContact O-CG2 3.29Å; V459-V463 PolarHBondContact O-N 3.44Å
460	L	98.7	Very high	98.1	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-58.5	-41.6	170.4	-70.7	172.8	0	0	0	111.6	F315 Y456 E458 V463 D464 E485 A486 V489 L490	F315-L460 HydrophobicContact CD1-CD2 3.86Å; F315-L460 HydrophobicContact CD2-CD2 4.03Å; F315-L460 HydrophobicContact CE1-CD2 3.67Å; F315-L460 HydrophobicContact CE1-CG 4.31Å; F315-L460 HydrophobicContact CE2-CD2 3.85Å; F315-L460 HydrophobicContact CE2-CG 4.12Å; F315-L460 HydrophobicContact CG-CD2 4.02Å; F315-L460 HydrophobicContact CZ-CD2 3.65Å; F315-L460 HydrophobicContact CZ-CG 3.88Å; Y456-L460 HydrophobicContact CD2-CD1 4.21Å; Y456-L460 HydrophobicContact CE2-CD1 4.46Å; Y456-L460 WeakPolarHBondContact O-CG 3.26Å; Y456-L460 PolarHBondContact O-N 2.68Å; E458-L460 PolarHBondContact O-N 2.65Å; L460-V463 PolarHBondContact O-N 3.04Å; L460-D464 PolarHBondContact O-N 3.35Å; L460-E485 HydrophobicContact CD1-CG 4.36Å; L460-A486 HydrophobicContact CD1-CB 3.99Å; L460-A486 HydrophobicContact CD2-CB 3.7Å; L460-V489 HydrophobicContact CB-CB 4.34Å; L460-V489 HydrophobicContact CB-CG1 3.84Å; L460-L490 HydrophobicContact CD2-CD1 3.71Å; L460-L490 HydrophobicContact CD2-CG 4.13Å; L460-L490 VanDerWaalsContact O-CD2 3.28Å; L460-L490 WeakPolarHBondContact O-CD2 3.37Å
461	R	98.6	Very high	98.1	Very high	122 Å²	122	46.4 Å²	46.4	46%	0.46	23%	0.229	S	C	.	.	H	α-helix	trans	-68.1	-36.8	174.7	-67.2	-174.2	-71.7	-85.1	8	112.1	A457 E458 V459 D464 N465 V489	A457-R461 PolarHBondContact O-NH1 2.76Å; A457-R461 VanDerWaalsContact O-NH1 3.16Å; E458-R461 WeakPolarHBondContact O-CB 3.32Å; E458-R461 PolarHBondContact O-N 3.25Å; E458-R461 VanDerWaalsContact O-N 3.14Å; V459-R461 VanDerWaalsContact C-N 3.28Å; V459-R461 PolarHBondContact O-N 3.08Å; R461-D464 PolarHBondContact O-N 3.29Å; R461-N465 PolarHBondContact O-N 3.15Å; R461-N465 PolarHBondContact O-ND2 2.95Å; R461-V489 HydrophobicContact CG-CG1 4.17Å
462	L	98.5	Very high	98.1	Very high	37 Å²	37	46.4 Å²	46.4	19%	0.194	23%	0.229	C	C	.	.	H	α-helix	trans	-61.5	-49	174.1	176.6	64.5	0	0	0	111.1	Y348 P432 Y449 E458 V459 D464 N465 T466	Y348-L462 HydrophobicContact CE1-CD2 4.22Å; Y348-L462 HydrophobicContact CE1-CG 4.34Å; P432-L462 HydrophobicContact CB-CD1 4.22Å; P432-L462 HydrophobicContact CB-CD2 3.64Å; P432-L462 HydrophobicContact CB-CG 4.27Å; P432-L462 HydrophobicContact CG-CD1 4.19Å; P432-L462 HydrophobicContact CG-CD2 3.79Å; Y449-L462 HydrophobicContact CD1-CD2 4.47Å; Y449-L462 HydrophobicContact CE1-CD2 4.13Å; E458-L462 PolarHBondContact O-N 3.5Å; V459-L462 WeakPolarHBondContact O-CB 3.48Å; V459-L462 PolarHBondContact O-N 3.12Å; V459-L462 VanDerWaalsContact O-N 3.15Å; L462-D464 PolarHBondContact O-N 3.34Å; L462-N465 PolarHBondContact O-N 3.32Å; L462-T466 PolarHBondContact O-N 3.39Å; L462-T466 PolarHBondContact O-OG1 3.41Å
463	V	98.6	Very high	98.1	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-53	-41.5	177.4	170.3	0	0	0	0	111.7	F313 F315 R346 Y348 V459 L460 L490	F313-V463 HydrophobicContact CB-CG1 4.21Å; F313-V463 HydrophobicContact CD1-CG1 3.71Å; F313-V463 HydrophobicContact CD2-CG1 3.6Å; F313-V463 HydrophobicContact CE1-CG1 3.86Å; F313-V463 HydrophobicContact CE2-CG1 3.79Å; F313-V463 HydrophobicContact CG-CG1 3.55Å; F313-V463 HydrophobicContact CZ-CG1 3.9Å; F315-V463 HydrophobicContact CD2-CG2 4.21Å; R346-V463 PolarHBondContact NH1-O 2.89Å; R346-V463 PolarHBondContact NH2-O 2.93Å; Y348-V463 HydrophobicContact CD1-CG2 3.9Å; Y348-V463 HydrophobicContact CD2-CG2 3.6Å; Y348-V463 HydrophobicContact CE1-CG2 3.95Å; Y348-V463 HydrophobicContact CE2-CG2 3.65Å; Y348-V463 HydrophobicContact CG-CG2 3.73Å; V459-V463 HydrophobicContact CG1-CG2 4.35Å; V459-V463 VanDerWaalsContact O-CG2 3.22Å; V459-V463 WeakPolarHBondContact O-CG2 3.29Å; V459-V463 PolarHBondContact O-N 3.44Å; L460-V463 PolarHBondContact O-N 3.04Å; V463-L490 HydrophobicContact CB-CD2 3.96Å; V463-L490 HydrophobicContact CG1-CD2 3.7Å
464	D	98.3	Very high	98.2	Very high	32 Å²	32	40.5 Å²	40.5	17%	0.171	20%	0.196	C	C	.	.	H	α-helix	trans	-67.1	-32.8	178.1	-173.8	55.1	0	0	0	113.2	L460 R461 L462 L490 A493 R517	L460-D464 PolarHBondContact O-N 3.35Å; R461-D464 PolarHBondContact O-N 3.29Å; L462-D464 PolarHBondContact O-N 3.34Å; D464-L490 HydrophobicContact CB-CD2 4.23Å; D464-A493 HydrophobicContact CB-CB 4.44Å; D464-A493 WeakPolarHBondContact OD1-CB 3.34Å; D464-R517 PolarHBondContact O-NH1 2.76Å; D464-R517 IonicContact OD1-CZ 3.49Å; D464-R517 IonicContact OD1-NH1 2.99Å; D464-R517 IonicContact OD1-NH2 2.66Å; D464-R517 PolarHBondContact OD1-NH2 3.39Å; D464-R517 IonicContact OD2-NH2 3.62Å
465	N	97.6	Very high	98.3	Very high	114 Å²	114	31.8 Å²	31.8	61%	0.61	16%	0.159	S	C	*	.	H	α-helix	trans	-103	-17.1	-171	-72	-66.7	0	0	0	115.2	R461 L462 S467	R461-N465 PolarHBondContact O-N 3.15Å; R461-N465 PolarHBondContact O-ND2 2.95Å; L462-N465 PolarHBondContact O-N 3.32Å; N465-S467 PolarHBondContact O-N 3.47Å
466	T	97.6	Very high	98.3	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.012	15%	0.146	C	C	.	.	S	Bend	trans	-63.8	-36.4	-174.6	-66.3	0	0	0	0	113.8	P432 Q433 M437 N438 L462	P432-T466 WeakPolarHBondContact O-CG2 3.47Å; Q433-T466 PolarHBondContact OE1-OG1 2.99Å; Q433-T466 VanDerWaalsContact OE1-OG1 3.14Å; M437-T466 HydrophobicContact CB-CG2 3.97Å; N438-T466 PolarHBondContact ND2-O 3.44Å; L462-T466 PolarHBondContact O-N 3.39Å; L462-T466 PolarHBondContact O-OG1 3.41Å
467	S	96.6	Very high	98.3	Very high	6 Å²	6	26.7 Å²	26.7	4%	0.042	14%	0.135	C	C	.	.			trans	-126.8	144.5	-170.4	-172.3	0	0	0	0	112.4	K311 N438 N465 Y469	K311-S467 WeakPolarHBondContact CB-OG 3.33Å; N438-S467 PolarHBondContact O-OG 3.01Å; N465-S467 PolarHBondContact O-N 3.47Å; S467-Y469 PolarHBondContact O-N 3.27Å; S467-Y469 WeakPolarHBondContact OG-CD2 3.49Å
468	P	97.3	Very high	98.3	Very high	64 Å²	64	31.6 Å²	31.6	42%	0.416	15%	0.154	S	C	.	.	S	Bend	trans	-72	-9.3	176.4	32.8	-38.9	0	0	0	112.9	N438 R517 A518	N438-P468 WeakPolarHBondContact OD1-CD 3.4Å; P468-R517 WeakPolarHBondContact O-CB 2.99Å; P468-A518 HydrophobicContact CB-CB 4.08Å; P468-A518 HydrophobicContact CG-CB 4.48Å; P468-A518 VanDerWaalsContact O-CB 3.27Å; P468-A518 WeakPolarHBondContact O-CB 3.09Å; P468-A518 PolarHBondContact O-N 2.77Å
469	Y	98.5	Very high	98.3	Very high	34 Å²	34	29.4 Å²	29.4	13%	0.133	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	156.3	-179.7	-62.6	-79	0	0	0	112.3	V281 K311 E440 S467 A518	V281-Y469 HydrophobicContact CG2-CE1 3.57Å; K311-Y469 HydrophobicContact CB-CD2 3.85Å; K311-Y469 HydrophobicContact CB-CG 4.43Å; E440-Y469 HydrophobicContact CB-CE2 4.41Å; S467-Y469 PolarHBondContact O-N 3.27Å; S467-Y469 WeakPolarHBondContact OG-CD2 3.49Å; Y469-A518 HydrophobicContact CD1-CB 3.87Å; Y469-A518 HydrophobicContact CE1-CB 3.98Å; Y469-A518 HydrophobicContact CG-CB 4.42Å
470	A	98.1	Very high	98.3	Very high	2 Å²	2	34.3 Å²	34.3	2%	0.017	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	54	174.1	0	0	0	0	0	112.5	N492 A493 G495 G515 R517 S519	A470-N492 WeakPolarHBondContact CB-O 3.1Å; A470-A493 WeakPolarHBondContact CA-O 3.42Å; A470-A493 WeakPolarHBondContact CB-O 3.45Å; A470-G495 PolarHBondContact O-N 3.23Å; A470-G515 WeakPolarHBondContact O-CA 3.38Å; A470-R517 HydrophobicContact CB-CB 4.14Å; A470-R517 HydrophobicContact CB-CG 3.69Å; A470-S519 PolarHBondContact N-OG 3.04Å
471	L	98.4	Very high	98.3	Very high	3 Å²	3	42.4 Å²	42.4	2%	0.016	20%	0.204	C	C	.	.	S	Bend	trans	-86.1	-72.8	-177.2	-168.8	51.2	0	0	0	111.9	C341 G495 N496 F513 S519	C341-L471 HydrophobicContact CB-CD2 3.61Å; C341-L471 WeakPolarHBondContact O-CD2 3.26Å; L471-G495 PolarHBondContact O-N 2.87Å; L471-N496 PolarHBondContact O-N 2.67Å; L471-F513 HydrophobicContact CD1-CE1 3.73Å; L471-F513 HydrophobicContact CD1-CZ 3.82Å; L471-F513 HydrophobicContact CD2-CE1 3.99Å; L471-F513 HydrophobicContact CD2-CZ 3.81Å; L471-F513 HydrophobicContact CG-CE1 4.11Å; L471-F513 HydrophobicContact CG-CZ 3.76Å; L471-S519 PolarHBondContact N-OG 3.29Å
472	T	98.9	Very high	98.3	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.006	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	155.3	179.9	71.8	0	0	0	0	112.8	N312 S342 N496 Y498 S503 F513	N312-T472 WeakPolarHBondContact CA-O 3.39Å; N312-T472 VanDerWaalsContact CB-O 3.31Å; N312-T472 WeakPolarHBondContact CB-O 3.32Å; N312-T472 WeakPolarHBondContact CB-OG1 3.16Å; N312-T472 PolarHBondContact OD1-N 2.92Å; N312-T472 PolarHBondContact OD1-O 2.76Å; N312-T472 PolarHBondContact OD1-OG1 2.85Å; S342-T472 VanDerWaalsContact CB-CG2 3.5Å; S342-T472 PolarHBondContact O-OG1 3.43Å; T472-N496 VanDerWaalsContact CA-O 3.26Å; T472-N496 WeakPolarHBondContact CA-O 3.25Å; T472-N496 HydrophobicContact CG2-CB 3.97Å; T472-Y498 HydrophobicContact CG2-CE2 4.47Å; T472-S503 WeakPolarHBondContact CB-O 3.41Å; T472-S503 PolarHBondContact OG1-O 3.3Å; T472-F513 HydrophobicContact CG2-CE2 3.6Å; T472-F513 HydrophobicContact CG2-CZ 3.99Å
473	G	98.8	Very high	98.3	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.4	146.1	173.8	0	0	0	0	0	112.5	F313 N496 Y497 Y498	F313-G473 CarbonylContact O-C 3.02Å; F313-G473 VanDerWaalsContact O-CA 3.29Å; F313-G473 WeakPolarHBondContact O-CA 3.19Å; G473-N496 PolarHBondContact N-O 3.27Å; G473-N496 VanDerWaalsContact N-O 3.12Å; G473-Y497 WeakPolarHBondContact O-CA 3.45Å; G473-Y498 PolarHBondContact O-N 3.46Å
474	S	98.9	Very high	98.3	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	142.7	179.7	-61.9	0	0	0	0	111.5	F313 F315 Y498 D501 S503	F313-S474 PolarHBondContact O-N 2.86Å; F315-S474 PolarHBondContact N-O 2.9Å; S474-Y498 CarbonylContact C-O 3.38Å; S474-Y498 WeakPolarHBondContact CA-O 3.31Å; S474-Y498 WeakPolarHBondContact OG-CB 3.43Å; S474-D501 WeakPolarHBondContact CB-O 3.27Å; S474-D501 PolarHBondContact OG-O 2.94Å; S474-S503 WeakPolarHBondContact OG-CA 3.11Å; S474-S503 PolarHBondContact OG-N 3.49Å; S474-S503 VanDerWaalsContact OG-N 3.09Å
475	V	98.9	Very high	98.3	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	124.9	166.5	169.7	0	0	0	0	109.1	F315 A477 A486 L490 Y497 Y498 V499 N500	F315-V475 HydrophobicContact CB-CG2 4.26Å; F315-V475 HydrophobicContact CD1-CG1 4.12Å; F315-V475 HydrophobicContact CD1-CG2 4.07Å; F315-V475 CarbonylContact O-C 3.53Å; F315-V475 WeakPolarHBondContact O-CA 3.45Å; V475-A477 HydrophobicContact CG1-CB 4.27Å; V475-A486 HydrophobicContact CG1-CB 4.18Å; V475-A486 HydrophobicContact CG2-CB 3.93Å; V475-L490 HydrophobicContact CG2-CD1 3.88Å; V475-Y497 HydrophobicContact CB-CE2 4.43Å; V475-Y497 WeakPolarHBondContact CB-OH 3.25Å; V475-Y497 HydrophobicContact CG2-CE2 3.71Å; V475-Y497 WeakPolarHBondContact CG2-OH 3.46Å; V475-Y498 PolarHBondContact N-O 2.89Å; V475-V499 CarbonylContact O-C 3.58Å; V475-V499 WeakPolarHBondContact O-CA 3.48Å; V475-N500 PolarHBondContact O-N 3.2Å
476	F	98.9	Very high	98.4	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.009	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	115.3	172.5	-67.4	-95.5	0	0	0	109.1	H314 F315 H317 A320 V325 N500 D501	H314-F476 HydrophobicContact CB-CE2 4.21Å; H314-F476 AromaticContact CG-CE2 3.84Å; H314-F476 AromaticContact ND1-CE2 3.7Å; F315-F476 PolarHBondContact O-N 2.85Å; H317-F476 PolarHBondContact N-O 3.48Å; A320-F476 HydrophobicContact CB-CB 3.84Å; A320-F476 WeakPolarHBondContact CB-O 3.42Å; V325-F476 HydrophobicContact CG2-CB 3.51Å; V325-F476 HydrophobicContact CG2-CD1 3.72Å; V325-F476 HydrophobicContact CG2-CD2 4.3Å; V325-F476 HydrophobicContact CG2-CG 3.59Å; F476-N500 VanDerWaalsContact CA-OD1 3.32Å; F476-N500 WeakPolarHBondContact CA-OD1 3.39Å; F476-D501 VanDerWaalsContact CZ-O 3.28Å; F476-D501 WeakPolarHBondContact CZ-O 3.44Å
477	A	98.8	Very high	98.4	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.191	C	C	.	.			trans	-166.3	151.5	-178.8	0	0	0	0	0	110.7	H317 V475 V482 I483 N500	H317-A477 HydrophobicContact CB-CB 3.82Å; V475-A477 HydrophobicContact CG1-CB 4.27Å; A477-V482 HydrophobicContact CB-CG1 4.4Å; A477-I483 HydrophobicContact CB-CG1 3.94Å; A477-N500 PolarHBondContact N-OD1 2.96Å; A477-N500 PolarHBondContact O-ND2 3.18Å; A477-N500 PolarHBondContact O-OD1 3Å; A477-N500 VanDerWaalsContact O-OD1 3.07Å
478	H	98.1	Very high	98.5	Very high	127 Å²	127	45.4 Å²	45.4	59%	0.588	22%	0.22	S	C	*	.	S	Bend	trans	-107.3	-10.8	166	-69.8	164.2	0	0	0	113.3	S319 Q480	S319-H478 WeakPolarHBondContact O-CB 3.45Å; S319-H478 PolarHBondContact O-N 2.87Å; S319-H478 PolarHBondContact O-ND1 2.83Å; S319-H478 PolarHBondContact OG-N 2.91Å; S319-H478 VanDerWaalsContact OG-N 3.13Å; H478-Q480 PolarHBondContact O-N 2.97Å
479	D	98.3	Very high	98.6	Very high	65 Å²	65	43.9 Å²	43.9	35%	0.348	21%	0.209	S	C	.	.			trans	-79.1	113.3	175.8	-172.5	-31.8	0	0	0	109.4	S319 K481 V482 I483	S319-D479 PolarHBondContact OG-N 3.06Å; S319-D479 VanDerWaalsContact OG-N 3.12Å; D479-K481 VanDerWaalsContact C-N 3.27Å; D479-K481 PolarHBondContact O-N 3.17Å; D479-K481 WeakPolarHBondContact OD1-CB 2.98Å; D479-K481 PolarHBondContact OD1-N 3.43Å; D479-V482 HydrophobicContact CB-CB 4.13Å; D479-V482 HydrophobicContact CB-CG2 3.88Å; D479-V482 PolarHBondContact O-N 3.25Å; D479-V482 VanDerWaalsContact O-N 3.15Å; D479-I483 WeakPolarHBondContact O-CG1 3.28Å; D479-I483 PolarHBondContact O-N 3.45Å
480	Q	98.4	Very high	98.6	Very high	110 Å²	110	42.4 Å²	42.4	51%	0.514	20%	0.203	S	C	.	.	H	α-helix	trans	-60.5	-34.9	-178.7	-169.6	60.5	49.6	0	0	112.8	H478 V482 I483 D484	H478-Q480 PolarHBondContact O-N 2.97Å; Q480-V482 VanDerWaalsContact C-N 3.29Å; Q480-V482 PolarHBondContact O-N 3.5Å; Q480-I483 PolarHBondContact O-N 3.19Å; Q480-D484 PolarHBondContact NE2-OD1 2.86Å; Q480-D484 WeakPolarHBondContact O-CB 3.28Å; Q480-D484 PolarHBondContact O-N 2.79Å
481	K	98.3	Very high	98.6	Very high	170 Å²	170	51.6 Å²	51.6	74%	0.739	24%	0.238	S	C	*	.	H	α-helix	trans	-65.1	-38.8	178.6	-64.3	178.4	-179.9	174.8	0	110.8	D479 E485	D479-K481 VanDerWaalsContact C-N 3.27Å; D479-K481 PolarHBondContact O-N 3.17Å; D479-K481 WeakPolarHBondContact OD1-CB 2.98Å; D479-K481 PolarHBondContact OD1-N 3.43Å; K481-E485 WeakPolarHBondContact O-CB 3.28Å; K481-E485 PolarHBondContact O-N 3.48Å
482	V	98.4	Very high	98.6	Very high	3 Å²	3	57 Å²	57	2%	0.018	27%	0.266	C	S	.	.	H	α-helix	trans	-69.1	-41.1	176.4	177.3	0	0	0	0	110.9	H317 Y456 A477 D479 Q480 E485 A486	H317-V482 HydrophobicContact CB-CG1 4.07Å; Y456-V482 HydrophobicContact CD2-CG1 4.43Å; Y456-V482 HydrophobicContact CE2-CG1 4.29Å; Y456-V482 HydrophobicContact CE2-CG2 4.22Å; A477-V482 HydrophobicContact CB-CG1 4.4Å; D479-V482 HydrophobicContact CB-CB 4.13Å; D479-V482 HydrophobicContact CB-CG2 3.88Å; D479-V482 PolarHBondContact O-N 3.25Å; D479-V482 VanDerWaalsContact O-N 3.15Å; Q480-V482 VanDerWaalsContact C-N 3.29Å; Q480-V482 PolarHBondContact O-N 3.5Å; V482-E485 PolarHBondContact O-N 2.74Å; V482-A486 WeakPolarHBondContact O-CB 3.23Å; V482-A486 PolarHBondContact O-N 3.11Å
483	I	98.8	Very high	98.6	Very high	21 Å²	21	57 Å²	57	11%	0.108	27%	0.267	C	S	.	.	H	α-helix	trans	-59.7	-47.6	175.6	-67.5	163.4	0	0	0	110.5	A477 D479 Q480 A486 A487 V499	A477-I483 HydrophobicContact CB-CG1 3.94Å; D479-I483 WeakPolarHBondContact O-CG1 3.28Å; D479-I483 PolarHBondContact O-N 3.45Å; Q480-I483 PolarHBondContact O-N 3.19Å; I483-A486 PolarHBondContact O-N 3.19Å; I483-A487 VanDerWaalsContact O-CB 3.31Å; I483-A487 WeakPolarHBondContact O-CB 3.41Å; I483-A487 PolarHBondContact O-N 3.3Å; I483-V499 HydrophobicContact CD1-CG1 4.08Å; I483-V499 HydrophobicContact CG1-CG1 4.18Å; I483-V499 HydrophobicContact CG2-CG1 4.17Å; I483-V499 HydrophobicContact CG2-CG2 4.16Å
484	D	98.6	Very high	98.6	Very high	92 Å²	92	57.5 Å²	57.5	49%	0.492	27%	0.27	S	S	.	.	H	α-helix	trans	-66.3	-41.6	-179.5	-66.3	-16.1	0	0	0	111.7	Q480 R488	Q480-D484 PolarHBondContact NE2-OD1 2.86Å; Q480-D484 WeakPolarHBondContact O-CB 3.28Å; Q480-D484 PolarHBondContact O-N 2.79Å; D484-R488 WeakPolarHBondContact O-CB 3.39Å; D484-R488 PolarHBondContact O-N 3.21Å; D484-R488 VanDerWaalsContact O-N 3.1Å
485	E	98.7	Very high	98.6	Very high	47 Å²	47	59 Å²	59	22%	0.22	29%	0.286	C	S	.	.	H	α-helix	trans	-63.5	-48	175.3	-177.5	172.7	-172.5	0	0	111.4	Y456 L460 K481 V482 A487 R488 V489	Y456-E485 PolarHBondContact OH-OE2 2.79Å; L460-E485 HydrophobicContact CD1-CG 4.36Å; K481-E485 WeakPolarHBondContact O-CB 3.28Å; K481-E485 PolarHBondContact O-N 3.48Å; V482-E485 PolarHBondContact O-N 2.74Å; E485-A487 PolarHBondContact O-N 3.18Å; E485-R488 PolarHBondContact O-N 2.84Å; E485-R488 VanDerWaalsContact O-N 3.16Å; E485-V489 HydrophobicContact CG-CG2 4.22Å; E485-V489 WeakPolarHBondContact O-CG2 3.33Å; E485-V489 PolarHBondContact O-N 3.43Å
486	A	98.8	Very high	98.6	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-62.4	-42.5	178.9	0	0	0	0	0	111.6	L460 V475 V482 I483 R488 V489 L490	L460-A486 HydrophobicContact CD1-CB 3.99Å; L460-A486 HydrophobicContact CD2-CB 3.7Å; V475-A486 HydrophobicContact CG1-CB 4.18Å; V475-A486 HydrophobicContact CG2-CB 3.93Å; V482-A486 WeakPolarHBondContact O-CB 3.23Å; V482-A486 PolarHBondContact O-N 3.11Å; I483-A486 PolarHBondContact O-N 3.19Å; A486-R488 VanDerWaalsContact C-N 3.26Å; A486-R488 PolarHBondContact O-N 2.53Å; A486-V489 PolarHBondContact O-N 3.26Å; A486-L490 HydrophobicContact CB-CD1 4.36Å; A486-L490 WeakPolarHBondContact O-CB 3.26Å; A486-L490 WeakPolarHBondContact O-CG 3.29Å; A486-L490 PolarHBondContact O-N 3.46Å
487	A	98.5	Very high	98.5	Very high	41 Å²	41	62.7 Å²	62.7	34%	0.339	30%	0.301	S	S	.	.	H	α-helix	trans	-61	-34.9	175.7	0	0	0	0	0	112.4	I483 E485 R491 Y497	I483-A487 VanDerWaalsContact O-CB 3.31Å; I483-A487 WeakPolarHBondContact O-CB 3.41Å; I483-A487 PolarHBondContact O-N 3.3Å; E485-A487 PolarHBondContact O-N 3.18Å; A487-R491 PolarHBondContact O-N 2.97Å; A487-Y497 HydrophobicContact CB-CE1 4.17Å; A487-Y497 PolarHBondContact N-OH 2.82Å
488	R	98.6	Very high	98.6	Very high	172 Å²	172	63.8 Å²	63.8	65%	0.649	31%	0.305	S	S	*	.	H	α-helix	trans	-73.3	-46.9	175.8	-176.9	177	60.2	95.7	4	112.2	D484 E485 A486	D484-R488 WeakPolarHBondContact O-CB 3.39Å; D484-R488 PolarHBondContact O-N 3.21Å; D484-R488 VanDerWaalsContact O-N 3.1Å; E485-R488 PolarHBondContact O-N 2.84Å; E485-R488 VanDerWaalsContact O-N 3.16Å; A486-R488 VanDerWaalsContact C-N 3.26Å; A486-R488 PolarHBondContact O-N 2.53Å
489	V	98.7	Very high	98.6	Very high	32 Å²	32	60.5 Å²	60.5	19%	0.194	29%	0.294	C	S	.	.	H	α-helix	trans	-70.3	-42	-177.1	174.7	0	0	0	0	111.2	L460 R461 E485 A486 R491	L460-V489 HydrophobicContact CB-CB 4.34Å; L460-V489 HydrophobicContact CB-CG1 3.84Å; R461-V489 HydrophobicContact CG-CG1 4.17Å; E485-V489 HydrophobicContact CG-CG2 4.22Å; E485-V489 WeakPolarHBondContact O-CG2 3.33Å; E485-V489 PolarHBondContact O-N 3.43Å; A486-V489 PolarHBondContact O-N 3.26Å; V489-R491 VanDerWaalsContact C-N 3.31Å; V489-R491 PolarHBondContact O-N 3.13Å
490	L	98.8	Very high	98.6	Very high	2 Å²	2	60.2 Å²	60.2	1%	0.01	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	11.3	-175.6	-58.8	175.8	0	0	0	113.5	F313 L460 V463 D464 V475 A486 N492 A493 Y497	F313-L490 HydrophobicContact CE2-CD1 3.75Å; F313-L490 HydrophobicContact CZ-CB 4.48Å; F313-L490 HydrophobicContact CZ-CD1 3.88Å; F313-L490 HydrophobicContact CZ-CD2 4.44Å; L460-L490 HydrophobicContact CD2-CD1 3.71Å; L460-L490 HydrophobicContact CD2-CG 4.13Å; L460-L490 VanDerWaalsContact O-CD2 3.28Å; L460-L490 WeakPolarHBondContact O-CD2 3.37Å; V463-L490 HydrophobicContact CB-CD2 3.96Å; V463-L490 HydrophobicContact CG1-CD2 3.7Å; D464-L490 HydrophobicContact CB-CD2 4.23Å; V475-L490 HydrophobicContact CG2-CD1 3.88Å; A486-L490 HydrophobicContact CB-CD1 4.36Å; A486-L490 WeakPolarHBondContact O-CB 3.26Å; A486-L490 WeakPolarHBondContact O-CG 3.29Å; A486-L490 PolarHBondContact O-N 3.46Å; L490-N492 PolarHBondContact O-N 3.04Å; L490-A493 HydrophobicContact CB-CB 4.08Å; L490-A493 HydrophobicContact CD2-CB 4.03Å; L490-A493 WeakPolarHBondContact O-CB 3.29Å; L490-A493 PolarHBondContact O-N 3Å; L490-Y497 HydrophobicContact CB-CE2 4.28Å; L490-Y497 HydrophobicContact CD1-CE2 4.16Å
491	R	98.6	Very high	98.6	Very high	196 Å²	196	59.2 Å²	59.2	74%	0.74	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.2	-34.9	-174.2	-174.8	179.2	-177.3	107.3	0.2	113.9	A487 V489	A487-R491 PolarHBondContact O-N 2.97Å; V489-R491 VanDerWaalsContact C-N 3.31Å; V489-R491 PolarHBondContact O-N 3.13Å
492	N	98.4	Very high	98.6	Very high	116 Å²	116	52.8 Å²	52.8	62%	0.62	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.3	1.6	-180	-66.4	-37.1	0	0	0	113.4	A470 L490 R517	A470-N492 WeakPolarHBondContact CB-O 3.1Å; L490-N492 PolarHBondContact O-N 3.04Å; N492-R517 VanDerWaalsContact O-CZ 3.23Å; N492-R517 PolarHBondContact O-NE 3.37Å; N492-R517 PolarHBondContact O-NH2 3.31Å
493	A	98.6	Very high	98.6	Very high	2 Å²	2	52.6 Å²	52.6	2%	0.017	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-16.8	180	0	0	0	0	0	112.6	F313 D464 A470 L490	F313-A493 HydrophobicContact CE1-CB 3.98Å; F313-A493 HydrophobicContact CZ-CB 4.31Å; D464-A493 HydrophobicContact CB-CB 4.44Å; D464-A493 WeakPolarHBondContact OD1-CB 3.34Å; A470-A493 WeakPolarHBondContact CA-O 3.42Å; A470-A493 WeakPolarHBondContact CB-O 3.45Å; L490-A493 HydrophobicContact CB-CB 4.08Å; L490-A493 HydrophobicContact CD2-CB 4.03Å; L490-A493 WeakPolarHBondContact O-CB 3.29Å; L490-A493 PolarHBondContact O-N 3Å
494	A	98.6	Very high	98.6	Very high	9 Å²	9	51.7 Å²	51.7	7%	0.074	26%	0.257	C	S	.	.			trans	-149.7	127.1	178.2	0	0	0	0	0	110.8	F313 N496	F313-A494 HydrophobicContact CE1-CB 4.23Å; F313-A494 HydrophobicContact CZ-CB 4.37Å; A494-N496 VanDerWaalsContact C-N 3.35Å
495	G	98.4	Very high	98.5	Very high	31 Å²	31	49 Å²	49	32%	0.32	25%	0.252	S	S	.	.	S	Bend	trans	-76.4	-23.5	169.8	0	0	0	0	0	113.3	A470 L471 G514 K524	A470-G495 PolarHBondContact O-N 3.23Å; L471-G495 PolarHBondContact O-N 2.87Å; G495-G514 CarbonylContact C-O 3.47Å; G495-G514 VanDerWaalsContact CA-O 3.3Å; G495-G514 WeakPolarHBondContact CA-O 3.05Å; G495-K524 PolarHBondContact O-NZ 3.27Å
496	N	98.8	Very high	98.4	Very high	11 Å²	11	47.9 Å²	47.9	6%	0.059	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	104.3	166.4	-73.5	74.6	0	0	0	108.8	L471 T472 G473 A494 Y498 Q511 P512 F513 G514 K524	L471-N496 PolarHBondContact O-N 2.67Å; T472-N496 VanDerWaalsContact CA-O 3.26Å; T472-N496 WeakPolarHBondContact CA-O 3.25Å; T472-N496 HydrophobicContact CG2-CB 3.97Å; G473-N496 PolarHBondContact N-O 3.27Å; G473-N496 VanDerWaalsContact N-O 3.12Å; A494-N496 VanDerWaalsContact C-N 3.35Å; N496-Y498 HydrophobicContact CB-CE2 3.82Å; N496-Y498 WeakPolarHBondContact O-CD2 3.14Å; N496-Y498 WeakPolarHBondContact O-CE2 3.38Å; N496-Q511 PolarHBondContact ND2-O 3.46Å; N496-P512 PolarHBondContact ND2-O 3.38Å; N496-P512 VanDerWaalsContact ND2-O 3.08Å; N496-P512 PolarHBondContact OD1-O 2.9Å; N496-F513 WeakPolarHBondContact OD1-CA 3.11Å; N496-G514 PolarHBondContact OD1-N 3.13Å; N496-G514 PolarHBondContact OD1-O 3.38Å; N496-G514 VanDerWaalsContact OD1-O 3.1Å; N496-K524 PolarHBondContact OD1-NZ 2.86Å
497	Y	98.6	Very high	98.4	Very high	69 Å²	69	51.2 Å²	51.2	27%	0.271	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	131.9	-177.7	179.4	-97.5	0	0	0	110.3	G473 V475 A487 L490 V499	G473-Y497 WeakPolarHBondContact O-CA 3.45Å; V475-Y497 HydrophobicContact CB-CE2 4.43Å; V475-Y497 WeakPolarHBondContact CB-OH 3.25Å; V475-Y497 HydrophobicContact CG2-CE2 3.71Å; V475-Y497 WeakPolarHBondContact CG2-OH 3.46Å; A487-Y497 HydrophobicContact CB-CE1 4.17Å; A487-Y497 PolarHBondContact N-OH 2.82Å; L490-Y497 HydrophobicContact CB-CE2 4.28Å; L490-Y497 HydrophobicContact CD1-CE2 4.16Å; Y497-V499 HydrophobicContact CD1-CG2 4.23Å; Y497-V499 HydrophobicContact CE1-CG2 3.54Å
498	Y	98.9	Very high	98.4	Very high	23 Å²	23	49.7 Å²	49.7	9%	0.09	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	146.6	-175.8	-59.8	-96.8	0	0	0	110.4	T472 G473 S474 V475 N496	T472-Y498 HydrophobicContact CG2-CE2 4.47Å; G473-Y498 PolarHBondContact O-N 3.46Å; S474-Y498 CarbonylContact C-O 3.38Å; S474-Y498 WeakPolarHBondContact CA-O 3.31Å; S474-Y498 WeakPolarHBondContact OG-CB 3.43Å; V475-Y498 PolarHBondContact N-O 2.89Å; N496-Y498 HydrophobicContact CB-CE2 3.82Å; N496-Y498 WeakPolarHBondContact O-CD2 3.14Å; N496-Y498 WeakPolarHBondContact O-CE2 3.38Å
499	V	98.8	Very high	98.4	Very high	59 Å²	59	43.3 Å²	43.3	36%	0.358	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	124.3	173.1	-179.3	0	0	0	0	108.1	V475 I483 Y497 D501	V475-V499 CarbonylContact O-C 3.58Å; V475-V499 WeakPolarHBondContact O-CA 3.48Å; I483-V499 HydrophobicContact CD1-CG1 4.08Å; I483-V499 HydrophobicContact CG1-CG1 4.18Å; I483-V499 HydrophobicContact CG2-CG1 4.17Å; I483-V499 HydrophobicContact CG2-CG2 4.16Å; Y497-V499 HydrophobicContact CD1-CG2 4.23Å; Y497-V499 HydrophobicContact CE1-CG2 3.54Å; V499-D501 PolarHBondContact O-N 3.35Å
500	N	98.7	Very high	98.4	Very high	59 Å²	59	46.6 Å²	46.6	32%	0.316	25%	0.25	S	C	.	.	S	Bend	trans	56.3	29.3	-180	-59.8	-36.2	0	0	0	114.8	V475 F476 A477	V475-N500 PolarHBondContact O-N 3.2Å; F476-N500 VanDerWaalsContact CA-OD1 3.32Å; F476-N500 WeakPolarHBondContact CA-OD1 3.39Å; A477-N500 PolarHBondContact N-OD1 2.96Å; A477-N500 PolarHBondContact O-ND2 3.18Å; A477-N500 PolarHBondContact O-OD1 3Å; A477-N500 VanDerWaalsContact O-OD1 3.07Å
501	D	98.8	Very high	98.3	Very high	89 Å²	89	49.7 Å²	49.7	48%	0.476	26%	0.264	S	S	.	.	S	Bend	trans	-143	161.1	174.2	-157.2	-8.6	0	0	0	110.4	S474 F476 V499	S474-D501 WeakPolarHBondContact CB-O 3.27Å; S474-D501 PolarHBondContact OG-O 2.94Å; F476-D501 VanDerWaalsContact CZ-O 3.28Å; F476-D501 WeakPolarHBondContact CZ-O 3.44Å; V499-D501 PolarHBondContact O-N 3.35Å
502	K	98.7	Very high	98.3	Very high	34 Å²	34	42.1 Å²	42.1	15%	0.148	24%	0.24	C	C	.	.			trans	-64.5	150.2	175.7	66.1	-179	177.3	60.1	0	111.5	G328 R331 T504	G328-K502 WeakPolarHBondContact O-CB 3.05Å; R331-K502 HydrophobicContact CB-CD 3.91Å; K502-T504 WeakPolarHBondContact CD-OG1 3.18Å; K502-T504 VanDerWaalsContact NZ-C 3.34Å; K502-T504 PolarHBondContact NZ-O 3.49Å; K502-T504 PolarHBondContact NZ-OG1 2.86Å; K502-T504 PolarHBondContact O-N 2.93Å
503	S	98.6	Very high	98.3	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.217	C	C	.	.	S	Bend	trans	-73.7	6.8	-177.1	68.8	0	0	0	0	115.6	H314 S332 S342 T472 S474	H314-S503 PolarHBondContact NE2-N 3.33Å; H314-S503 PolarHBondContact NE2-OG 2.87Å; S332-S503 PolarHBondContact OG-OG 3.29Å; S342-S503 WeakPolarHBondContact CB-O 3.37Å; S342-S503 PolarHBondContact O-OG 3.46Å; T472-S503 WeakPolarHBondContact CB-O 3.41Å; T472-S503 PolarHBondContact OG1-O 3.3Å; S474-S503 WeakPolarHBondContact OG-CA 3.11Å; S474-S503 PolarHBondContact OG-N 3.49Å; S474-S503 VanDerWaalsContact OG-N 3.09Å
504	T	98.5	Very high	98.3	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.012	22%	0.216	C	C	.	.			trans	-120	165.9	-172.1	58.8	0	0	0	0	111.7	S332 K340 S342 K502	S332-T504 WeakPolarHBondContact OG-CG2 3.31Å; K340-T504 HydrophobicContact CD-CG2 4.24Å; S342-T504 VanDerWaalsContact O-CG2 3.26Å; S342-T504 WeakPolarHBondContact O-CG2 2.93Å; S342-T504 WeakPolarHBondContact OG-CG2 3.35Å; K502-T504 WeakPolarHBondContact CD-OG1 3.18Å; K502-T504 VanDerWaalsContact NZ-C 3.34Å; K502-T504 PolarHBondContact NZ-O 3.49Å; K502-T504 PolarHBondContact NZ-OG1 2.86Å; K502-T504 PolarHBondContact O-N 2.93Å
505	G	95.6	Very high	98.3	Very high	36 Å²	36	37.5 Å²	37.5	37%	0.371	21%	0.212	S	C	.	.			trans	79.2	43.1	169.5	0	0	0	0	0	113.1	I507	G505-I507 PolarHBondContact O-N 3.22Å
506	S	97.8	Very high	98.3	Very high	22 Å²	22	38.1 Å²	38.1	15%	0.154	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-54.5	134.9	164.1	50.9	0	0	0	0	110.8	Q511 F513	S506-Q511 WeakPolarHBondContact CB-O 3.44Å; S506-F513 WeakPolarHBondContact OG-CD2 3.5Å
507	I	98.7	Very high	98.2	Very high	71 Å²	71	42.3 Å²	42.3	36%	0.364	23%	0.23	S	C	.	.	P	Polyproline II helix	trans	-103	132.6	175.9	-57.9	172.5	0	0	0	107.9	N27 G505 A509 Q510 Q511	N27-I507 HydrophobicContact CB-CG2 4.48Å; N27-I507 WeakPolarHBondContact ND2-CG2 3.46Å; G505-I507 PolarHBondContact O-N 3.22Å; I507-A509 PolarHBondContact O-N 3.35Å; I507-Q510 HydrophobicContact CB-CB 4.18Å; I507-Q510 HydrophobicContact CB-CG 4.19Å; I507-Q510 HydrophobicContact CG2-CG 4.01Å; I507-Q510 PolarHBondContact O-N 3.13Å; I507-Q511 PolarHBondContact O-N 2.9Å
508	V	98.4	Very high	98.2	Very high	8 Å²	8	40.2 Å²	40.2	5%	0.048	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	138.7	177.5	171	0	0	0	0	110.1	N27 E158 D161 F162 F165 Q510	N27-V508 PolarHBondContact ND2-O 3.2Å; E158-V508 HydrophobicContact CG-CG2 4.1Å; D161-V508 HydrophobicContact CB-CB 3.63Å; D161-V508 HydrophobicContact CB-CG1 3.9Å; D161-V508 HydrophobicContact CB-CG2 4.02Å; F162-V508 HydrophobicContact CD1-CG1 4.43Å; F162-V508 HydrophobicContact CD1-CG2 3.83Å; F162-V508 HydrophobicContact CD2-CG2 4.31Å; F162-V508 HydrophobicContact CE1-CG2 3.75Å; F162-V508 HydrophobicContact CE2-CG2 4.26Å; F162-V508 HydrophobicContact CG-CG2 4.1Å; F162-V508 HydrophobicContact CZ-CG2 3.97Å; F165-V508 HydrophobicContact CB-CG1 3.89Å; F165-V508 HydrophobicContact CD2-CG1 3.93Å; F165-V508 HydrophobicContact CG-CG1 4.08Å; V508-Q510 PolarHBondContact O-N 2.79Å
509	A	97.3	Very high	98.2	Very high	39 Å²	39	39.1 Å²	39.1	32%	0.322	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.1	-6.7	-174.8	0	0	0	0	0	116.8	F165 I507 G526	F165-A509 HydrophobicContact CD1-CB 3.28Å; F165-A509 HydrophobicContact CD2-CB 4.27Å; F165-A509 HydrophobicContact CE1-CB 3.28Å; F165-A509 HydrophobicContact CE2-CB 4.28Å; F165-A509 HydrophobicContact CG-CB 3.8Å; F165-A509 HydrophobicContact CZ-CB 3.8Å; I507-A509 PolarHBondContact O-N 3.35Å; A509-G526 VanDerWaalsContact CA-O 3.22Å; A509-G526 WeakPolarHBondContact CA-O 3.37Å; A509-G526 PolarHBondContact N-O 3.08Å
510	Q	98.4	Very high	98.2	Very high	101 Å²	101	37.1 Å²	37.1	47%	0.472	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-49.1	172.5	-53.3	-174.3	15.5	0	0	111.3	N27 I507 V508	N27-Q510 PolarHBondContact OD1-NE2 3.09Å; I507-Q510 HydrophobicContact CB-CB 4.18Å; I507-Q510 HydrophobicContact CB-CG 4.19Å; I507-Q510 HydrophobicContact CG2-CG 4.01Å; I507-Q510 PolarHBondContact O-N 3.13Å; V508-Q510 PolarHBondContact O-N 2.79Å
511	Q	98.6	Very high	98.2	Very high	67 Å²	67	36.5 Å²	36.5	31%	0.313	21%	0.212	S	C	.	.	S	Bend	trans	-128.8	74.1	175.5	-51.3	82.8	32.1	0	0	110.5	N496 S506 I507 F513	N496-Q511 PolarHBondContact ND2-O 3.46Å; S506-Q511 WeakPolarHBondContact CB-O 3.44Å; I507-Q511 PolarHBondContact O-N 2.9Å; Q511-F513 PolarHBondContact O-N 2.81Å
512	P	98.3	Very high	98.2	Very high	37 Å²	37	34.9 Å²	34.9	24%	0.24	20%	0.204	C	C	.	.			trans	-43.4	127	174.6	-30.3	36.5	0	0	0	111.7	N496 K524	N496-P512 PolarHBondContact ND2-O 3.38Å; N496-P512 VanDerWaalsContact ND2-O 3.08Å; N496-P512 PolarHBondContact OD1-O 2.9Å; P512-K524 HydrophobicContact CB-CB 4.05Å; P512-K524 HydrophobicContact CB-CD 4.32Å; P512-K524 WeakPolarHBondContact O-CD 3.18Å; P512-K524 PolarHBondContact O-NZ 3.16Å
513	F	98.6	Very high	98.2	Very high	29 Å²	29	34.6 Å²	34.6	13%	0.127	20%	0.204	C	C	.	.			trans	-98.4	136.4	-162.2	-172.3	-93.9	0	0	0	111.3	L471 T472 N496 S506 Q511 K524 P525	L471-F513 HydrophobicContact CD1-CE1 3.73Å; L471-F513 HydrophobicContact CD1-CZ 3.82Å; L471-F513 HydrophobicContact CD2-CE1 3.99Å; L471-F513 HydrophobicContact CD2-CZ 3.81Å; L471-F513 HydrophobicContact CG-CE1 4.11Å; L471-F513 HydrophobicContact CG-CZ 3.76Å; T472-F513 HydrophobicContact CG2-CE2 3.6Å; T472-F513 HydrophobicContact CG2-CZ 3.99Å; N496-F513 WeakPolarHBondContact OD1-CA 3.11Å; S506-F513 WeakPolarHBondContact OG-CD2 3.5Å; Q511-F513 PolarHBondContact O-N 2.81Å; F513-K524 WeakPolarHBondContact O-CA 3.35Å; F513-P525 PolarHBondContact N-O 3.45Å; F513-P525 WeakPolarHBondContact O-CD 3.14Å; F513-P525 WeakPolarHBondContact O-CG 3.13Å
514	G	97.9	Very high	98.1	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.213	C	C	.	.			trans	153.6	162.5	172.7	0	0	0	0	0	112.7	E307 G495 N496 N522 K524	E307-G514 WeakPolarHBondContact OE2-CA 3.38Å; G495-G514 CarbonylContact C-O 3.47Å; G495-G514 VanDerWaalsContact CA-O 3.3Å; G495-G514 WeakPolarHBondContact CA-O 3.05Å; N496-G514 PolarHBondContact OD1-N 3.13Å; N496-G514 PolarHBondContact OD1-O 3.38Å; N496-G514 VanDerWaalsContact OD1-O 3.1Å; G514-N522 PolarHBondContact O-OD1 3.02Å; G514-K524 PolarHBondContact O-NZ 3.06Å
515	G	98.1	Very high	98.1	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	22%	0.218	C	C	.	.			trans	-150.3	160.9	-177.5	0	0	0	0	0	113.2	A470 S519 G520 N522	A470-G515 WeakPolarHBondContact O-CA 3.38Å; G515-S519 CarbonylContact O-C 3.58Å; G515-G520 CarbonylContact O-C 3.48Å; G515-G520 PolarHBondContact O-N 2.84Å; G515-N522 PolarHBondContact N-OD1 2.95Å
516	A	97.9	Very high	98.2	Very high	45 Å²	45	35.8 Å²	35.8	37%	0.372	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	-156.1	-177.7	0	0	0	0	0	111.7	A518 S519	A516-A518 PolarHBondContact O-N 3.22Å; A516-S519 VanDerWaalsContact O-CB 3.23Å; A516-S519 WeakPolarHBondContact O-CB 3.47Å; A516-S519 PolarHBondContact O-N 3.26Å
517	R	98.2	Very high	98.2	Very high	98 Å²	98	34.8 Å²	34.8	37%	0.37	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	55	-133.5	-172.6	-50.9	-174.1	-175.1	176.1	-11	110.9	D464 P468 A470 N492 S519	D464-R517 PolarHBondContact O-NH1 2.76Å; D464-R517 IonicContact OD1-CZ 3.49Å; D464-R517 IonicContact OD1-NH1 2.99Å; D464-R517 IonicContact OD1-NH2 2.66Å; D464-R517 PolarHBondContact OD1-NH2 3.39Å; D464-R517 IonicContact OD2-NH2 3.62Å; P468-R517 WeakPolarHBondContact O-CB 2.99Å; A470-R517 HydrophobicContact CB-CB 4.14Å; A470-R517 HydrophobicContact CB-CG 3.69Å; N492-R517 VanDerWaalsContact O-CZ 3.23Å; N492-R517 PolarHBondContact O-NE 3.37Å; N492-R517 PolarHBondContact O-NH2 3.31Å; R517-S519 PolarHBondContact O-N 3.43Å
518	A	98.1	Very high	98.1	Very high	25 Å²	25	34.4 Å²	34.4	21%	0.207	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-11	175.3	0	0	0	0	0	113.5	V281 C308 P468 Y469 A516 G520	V281-A518 HydrophobicContact CG2-CB 4.44Å; V281-A518 VanDerWaalsContact CG2-O 3.32Å; V281-A518 WeakPolarHBondContact CG2-O 3.24Å; C308-A518 WeakPolarHBondContact CB-O 3.29Å; P468-A518 HydrophobicContact CB-CB 4.08Å; P468-A518 HydrophobicContact CG-CB 4.48Å; P468-A518 VanDerWaalsContact O-CB 3.27Å; P468-A518 WeakPolarHBondContact O-CB 3.09Å; P468-A518 PolarHBondContact O-N 2.77Å; Y469-A518 HydrophobicContact CD1-CB 3.87Å; Y469-A518 HydrophobicContact CE1-CB 3.98Å; Y469-A518 HydrophobicContact CG-CB 4.42Å; A516-A518 PolarHBondContact O-N 3.22Å; A518-G520 VanDerWaalsContact C-N 3.33Å; A518-G520 PolarHBondContact O-N 3Å
519	S	98.5	Very high	98.1	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-13.1	-176.1	-65.3	0	0	0	0	114.5	C308 G309 A470 L471 G515 A516 R517	C308-S519 PolarHBondContact N-O 2.85Å; G309-S519 WeakPolarHBondContact O-CA 3.19Å; G309-S519 VanDerWaalsContact O-CB 3.26Å; G309-S519 WeakPolarHBondContact O-CB 3.39Å; G309-S519 PolarHBondContact O-OG 3.45Å; A470-S519 PolarHBondContact N-OG 3.04Å; L471-S519 PolarHBondContact N-OG 3.29Å; G515-S519 CarbonylContact O-C 3.58Å; A516-S519 VanDerWaalsContact O-CB 3.23Å; A516-S519 WeakPolarHBondContact O-CB 3.47Å; A516-S519 PolarHBondContact O-N 3.26Å; R517-S519 PolarHBondContact O-N 3.43Å
520	G	98.3	Very high	98.2	Very high	17 Å²	17	38.7 Å²	38.7	18%	0.175	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	143.2	-164	173.7	0	0	0	0	0	115.8	G306 G515 A518	G306-G520 CarbonylContact O-C 3.59Å; G306-G520 WeakPolarHBondContact O-CA 3.41Å; G515-G520 CarbonylContact O-C 3.48Å; G515-G520 PolarHBondContact O-N 2.84Å; A518-G520 VanDerWaalsContact C-N 3.33Å; A518-G520 PolarHBondContact O-N 3Å
521	T	98.6	Very high	98.2	Very high	46 Å²	46	34 Å²	34	28%	0.282	19%	0.186	S	C	.	.			trans	-87	-10.8	178.5	49.7	0	0	0	0	113.2	F284 W288 G306 D523	F284-T521 HydrophobicContact CE1-CG2 4.09Å; F284-T521 HydrophobicContact CZ-CG2 3.97Å; W288-T521 HydrophobicContact CH2-CG2 4.32Å; W288-T521 HydrophobicContact CZ3-CG2 3.87Å; G306-T521 PolarHBondContact N-OG1 3.04Å; G306-T521 PolarHBondContact O-N 3.49Å; G306-T521 PolarHBondContact O-OG1 3.3Å; T521-D523 VanDerWaalsContact CB-OD2 3.28Å; T521-D523 WeakPolarHBondContact CB-OD2 3.43Å; T521-D523 PolarHBondContact O-N 3.36Å; T521-D523 PolarHBondContact OG1-OD2 3.38Å
522	N	98.4	Very high	98.2	Very high	56 Å²	56	34 Å²	34	30%	0.299	19%	0.188	S	C	.	.			trans	56.1	44.7	176.3	-166	25.4	0	0	0	113.4	G514 G515 K524	G514-N522 PolarHBondContact O-OD1 3.02Å; G515-N522 PolarHBondContact N-OD1 2.95Å; N522-K524 PolarHBondContact O-N 3.47Å; N522-K524 VanDerWaalsContact OD1-CD 3.25Å; N522-K524 WeakPolarHBondContact OD1-CD 3.43Å; N522-K524 WeakPolarHBondContact OD1-CE 3.23Å
523	D	98.5	Very high	98.2	Very high	27 Å²	27	35.7 Å²	35.7	14%	0.144	19%	0.19	C	C	.	.			trans	-75.2	-1	179	-64.1	-76	0	0	0	113.1	A305 T521 Y530 R533	A305-D523 WeakPolarHBondContact CA-OD2 3.32Å; A305-D523 VanDerWaalsContact CB-OD2 3.25Å; A305-D523 WeakPolarHBondContact CB-OD2 3.36Å; T521-D523 VanDerWaalsContact CB-OD2 3.28Å; T521-D523 WeakPolarHBondContact CB-OD2 3.43Å; T521-D523 PolarHBondContact O-N 3.36Å; T521-D523 PolarHBondContact OG1-OD2 3.38Å; D523-Y530 HydrophobicContact CB-CE2 4.13Å; D523-Y530 HydrophobicContact CB-CD2 3.85Å; D523-R533 HydrophobicContact CB-CG 4.03Å; D523-R533 WeakPolarHBondContact OD1-CD 3.38Å; D523-R533 VanDerWaalsContact OD1-CG 3.28Å; D523-R533 WeakPolarHBondContact OD1-CG 3.35Å; D523-R533 IonicContact OD1-CZ 3.93Å; D523-R533 IonicContact OD1-NE 2.87Å; D523-R533 PolarHBondContact OD1-NE 2.81Å
524	K	98.4	Very high	98.2	Very high	45 Å²	45	34.3 Å²	34.3	20%	0.196	18%	0.184	C	C	.	.			trans	54.5	57.7	175.4	-67.9	-59.8	-160.6	177	0	114.5	G495 N496 P512 F513 G514 N522 G526 G527	G495-K524 PolarHBondContact O-NZ 3.27Å; N496-K524 PolarHBondContact OD1-NZ 2.86Å; P512-K524 HydrophobicContact CB-CB 4.05Å; P512-K524 HydrophobicContact CB-CD 4.32Å; P512-K524 WeakPolarHBondContact O-CD 3.18Å; P512-K524 PolarHBondContact O-NZ 3.16Å; F513-K524 WeakPolarHBondContact O-CA 3.35Å; G514-K524 PolarHBondContact O-NZ 3.06Å; N522-K524 PolarHBondContact O-N 3.47Å; N522-K524 VanDerWaalsContact OD1-CD 3.25Å; N522-K524 WeakPolarHBondContact OD1-CD 3.43Å; N522-K524 WeakPolarHBondContact OD1-CE 3.23Å; K524-G526 PolarHBondContact O-N 3.04Å; K524-G527 PolarHBondContact O-N 3.47Å
525	P	98.3	Very high	98.2	Very high	17 Å²	17	34.3 Å²	34.3	11%	0.11	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.4	138.3	165.8	23.1	-35.2	0	0	0	111.4	F162 F513 G527 Y530	F162-P525 HydrophobicContact CE1-CB 4.19Å; F513-P525 PolarHBondContact N-O 3.45Å; F513-P525 WeakPolarHBondContact O-CD 3.14Å; F513-P525 WeakPolarHBondContact O-CG 3.13Å; P525-G527 VanDerWaalsContact C-N 3.33Å; P525-Y530 HydrophobicContact CB-CE2 4.2Å; P525-Y530 HydrophobicContact CB-CG 4.16Å; P525-Y530 HydrophobicContact CB-CE1 4.12Å; P525-Y530 HydrophobicContact CB-CD2 4.2Å; P525-Y530 HydrophobicContact CB-CD1 4.12Å
526	G	97.3	Very high	98.3	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.01	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.7	-1.9	-174.9	0	0	0	0	0	113.8	A509 K524	A509-G526 VanDerWaalsContact CA-O 3.22Å; A509-G526 WeakPolarHBondContact CA-O 3.37Å; A509-G526 PolarHBondContact N-O 3.08Å; K524-G526 PolarHBondContact O-N 3.04Å
527	G	97.6	Very high	98.3	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.01	20%	0.2	C	C	.	.	S	Bend	trans	-106.8	170.7	168	0	0	0	0	0	113.3	K524 P525 H529 Y530	K524-G527 PolarHBondContact O-N 3.47Å; P525-G527 VanDerWaalsContact C-N 3.33Å; G527-H529 PolarHBondContact O-N 3.22Å; G527-Y530 PolarHBondContact O-N 3.41Å
528	P	97.1	Very high	98.3	Very high	64 Å²	64	38.1 Å²	38.1	42%	0.416	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-17.2	-175.4	28	-36.1	0	0	0	114.2	V531	P528-V531 WeakPolarHBondContact O-CG2 3.49Å
529	H	98.2	Very high	98.3	Very high	132 Å²	132	41.4 Å²	41.4	61%	0.611	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90	-18.9	-174	-52.7	129.6	0	0	0	113.7	G527 V531 L532	G527-H529 PolarHBondContact O-N 3.22Å; H529-V531 VanDerWaalsContact C-N 3.25Å; H529-V531 PolarHBondContact O-N 2.81Å; H529-L532 HydrophobicContact CB-CD1 4.37Å; H529-L532 VanDerWaalsContact O-CB 3.23Å; H529-L532 WeakPolarHBondContact O-CB 3.18Å; H529-L532 PolarHBondContact O-N 2.82Å
530	Y	98.8	Very high	98.3	Very high	5 Å²	5	43.9 Å²	43.9	2%	0.02	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-60.6	-35.8	-174.4	-177.3	-120.6	0	0	0	112.5	T215 N276 D523 P525 G527 L532 R533 W534	T215-Y530 HydrophobicContact CG2-CD1 3.77Å; T215-Y530 HydrophobicContact CG2-CE1 3.8Å; N276-Y530 PolarHBondContact ND2-OH 3.46Å; N276-Y530 PolarHBondContact OD1-OH 2.74Å; D523-Y530 HydrophobicContact CB-CE2 4.13Å; D523-Y530 HydrophobicContact CB-CD2 3.85Å; P525-Y530 HydrophobicContact CB-CE2 4.2Å; P525-Y530 HydrophobicContact CB-CG 4.16Å; P525-Y530 HydrophobicContact CB-CE1 4.12Å; P525-Y530 HydrophobicContact CB-CD2 4.2Å; P525-Y530 HydrophobicContact CB-CD1 4.12Å; G527-Y530 PolarHBondContact O-N 3.41Å; Y530-L532 PolarHBondContact O-N 3.44Å; Y530-R533 WeakPolarHBondContact O-CB 3.26Å; Y530-R533 PolarHBondContact O-N 3.41Å; Y530-W534 AromaticContact CE2-NE1 3.88Å; Y530-W534 AromaticContact CZ-NE1 3.62Å; Y530-W534 AromaticContact CE1-NE1 3.87Å; Y530-W534 HydrophobicContact CE2-CZ2 4.49Å
531	V	98.2	Very high	98.3	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.006	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-60	-27.4	175.6	-64.7	0	0	0	0	113.2	N166 H169 L173 T215 M219 P528 H529 R533 W534	N166-V531 HydrophobicContact CB-CG1 4.36Å; H169-V531 HydrophobicContact CB-CG1 4.36Å; H169-V531 HydrophobicContact CB-CG2 4.29Å; L173-V531 HydrophobicContact CD2-CG2 4.17Å; T215-V531 HydrophobicContact CG2-CG1 4.09Å; M219-V531 HydrophobicContact CE-CB 4.34Å; M219-V531 HydrophobicContact CG-CB 4.18Å; M219-V531 HydrophobicContact SD-CB 3.82Å; M219-V531 HydrophobicContact SD-CG1 4.18Å; P528-V531 WeakPolarHBondContact O-CG2 3.49Å; H529-V531 VanDerWaalsContact C-N 3.25Å; H529-V531 PolarHBondContact O-N 2.81Å; V531-R533 PolarHBondContact O-N 3.12Å; V531-W534 PolarHBondContact O-N 3.5Å; V531-W534 VanDerWaalsContact O-N 3.11Å
532	L	98.4	Very high	98.2	Very high	68 Å²	68	52.8 Å²	52.8	36%	0.356	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-64.6	-28.9	179.7	-67.8	169.9	0	0	0	112.4	L173 R303 H529 Y530 W534 T535	L173-L532 HydrophobicContact CD1-CD2 3.69Å; L173-L532 HydrophobicContact CD2-CD2 3.76Å; L173-L532 HydrophobicContact CG-CD2 4.39Å; R303-L532 PolarHBondContact NH1-O 3.32Å; H529-L532 HydrophobicContact CB-CD1 4.37Å; H529-L532 VanDerWaalsContact O-CB 3.23Å; H529-L532 WeakPolarHBondContact O-CB 3.18Å; H529-L532 PolarHBondContact O-N 2.82Å; Y530-L532 PolarHBondContact O-N 3.44Å; L532-W534 PolarHBondContact O-N 3.43Å; L532-T535 HydrophobicContact CD2-CG2 4.37Å; L532-T535 WeakPolarHBondContact O-CG2 3.32Å; L532-T535 PolarHBondContact O-N 3.12Å
533	R	98.6	Very high	98.2	Very high	72 Å²	72	53.7 Å²	53.7	27%	0.272	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-62.4	-24.1	177	-62.9	-58.2	-67	133.7	2.3	112.4	R303 D523 Y530 V531	R303-R533 WeakPolarHBondContact CD-O 3.41Å; R303-R533 PolarHBondContact NH1-O 2.78Å; D523-R533 HydrophobicContact CB-CG 4.03Å; D523-R533 WeakPolarHBondContact OD1-CD 3.38Å; D523-R533 VanDerWaalsContact OD1-CG 3.28Å; D523-R533 WeakPolarHBondContact OD1-CG 3.35Å; D523-R533 IonicContact OD1-CZ 3.93Å; D523-R533 IonicContact OD1-NE 2.87Å; D523-R533 PolarHBondContact OD1-NE 2.81Å; Y530-R533 WeakPolarHBondContact O-CB 3.26Å; Y530-R533 PolarHBondContact O-N 3.41Å; V531-R533 PolarHBondContact O-N 3.12Å
534	W	98.9	Very high	98.2	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-108.7	14.4	-173.3	-47.5	112.3	0	0	0	113.8	L193 V197 P216 M219 N221 N276 A305 Y530 V531 L532	L193-W534 HydrophobicContact CD1-CE3 4.13Å; V197-W534 HydrophobicContact CG1-CE3 4.35Å; V197-W534 HydrophobicContact CG1-CZ3 3.99Å; V197-W534 HydrophobicContact CG2-CE3 4.21Å; V197-W534 HydrophobicContact CG2-CZ3 4.38Å; P216-W534 HydrophobicContact CB-CB 4.38Å; P216-W534 HydrophobicContact CB-CD2 4.16Å; P216-W534 HydrophobicContact CB-CE3 4.35Å; P216-W534 HydrophobicContact CB-CG 4.14Å; P216-W534 HydrophobicContact CG-CD2 3.77Å; P216-W534 HydrophobicContact CG-CE3 4.16Å; P216-W534 HydrophobicContact CG-CG 3.99Å; M219-W534 HydrophobicContact CB-CB 3.89Å; M219-W534 WeakPolarHBondContact CB-O 3.46Å; M219-W534 HydrophobicContact CG-CB 4.02Å; N221-W534 PolarHBondContact ND2-O 3.09Å; N276-W534 HydrophobicContact CB-CH2 3.52Å; N276-W534 HydrophobicContact CB-CZ2 3.66Å; N276-W534 HydrophobicContact CB-CZ3 4.36Å; N276-W534 WeakPolarHBondContact ND2-CZ2 3.39Å; N276-W534 VanDerWaalsContact OD1-CZ2 3.3Å; N276-W534 WeakPolarHBondContact OD1-CZ2 3.26Å; A305-W534 HydrophobicContact CB-CH2 3.77Å; A305-W534 HydrophobicContact CB-CZ2 3.69Å; Y530-W534 AromaticContact CE2-NE1 3.88Å; Y530-W534 AromaticContact CZ-NE1 3.62Å; Y530-W534 AromaticContact CE1-NE1 3.87Å; Y530-W534 HydrophobicContact CE2-CZ2 4.49Å; V531-W534 PolarHBondContact O-N 3.5Å; V531-W534 VanDerWaalsContact O-N 3.11Å; L532-W534 PolarHBondContact O-N 3.43Å
535	T	98.8	Very high	98.1	Very high	1 Å²	1	58.8 Å²	58.8	1%	0.006	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	146.3	172.6	170.5	0	0	0	0	112.1	L173 Y190 R191 M219 R303 L532	L173-T535 HydrophobicContact CD2-CG2 4.26Å; Y190-T535 VanDerWaalsContact CA-OG1 3.31Å; Y190-T535 WeakPolarHBondContact CA-OG1 3.49Å; Y190-T535 WeakPolarHBondContact CB-OG1 3.42Å; Y190-T535 HydrophobicContact CD1-CG2 4.09Å; R191-T535 CarbonylContact O-C 3.57Å; R191-T535 WeakPolarHBondContact O-CA 3.31Å; R191-T535 WeakPolarHBondContact O-CB 3.36Å; R191-T535 PolarHBondContact O-OG1 2.86Å; R191-T535 VanDerWaalsContact O-OG1 3.13Å; M219-T535 HydrophobicContact CE-CG2 4.06Å; R303-T535 VanDerWaalsContact CZ-O 3.25Å; R303-T535 PolarHBondContact NH1-O 3.35Å; R303-T535 PolarHBondContact NH2-O 2.96Å; L532-T535 HydrophobicContact CD2-CG2 4.37Å; L532-T535 WeakPolarHBondContact O-CG2 3.32Å; L532-T535 PolarHBondContact O-N 3.12Å
536	S	98.7	Very high	97.9	Very high	40 Å²	40	63.4 Å²	63.4	28%	0.28	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	89.9	170.7	-173.7	0	0	0	0	109.3	R191	R191-S536 PolarHBondContact NE-O 2.91Å; R191-S536 PolarHBondContact NH2-O 2.87Å; R191-S536 VanDerWaalsContact NH2-O 3.12Å; R191-S536 PolarHBondContact NH2-OG 2.95Å; R191-S536 PolarHBondContact O-N 2.88Å
537	P	98.3	Very high	97.8	Very high	66 Å²	66	71 Å²	71	43%	0.429	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.9	143.1	-174.2	-26	34.5	0	0	0	113	L189 Y190 R191	L189-P537 CarbonylContact O-C 3.55Å; L189-P537 WeakPolarHBondContact O-CA 3.14Å; Y190-P537 HydrophobicContact CD1-CB 4.45Å; Y190-P537 HydrophobicContact CD1-CG 4Å; Y190-P537 HydrophobicContact CE1-CG 4.11Å; R191-P537 PolarHBondContact NH2-O 2.77Å
538	R	98.1	Very high	97.8	Very high	116 Å²	116	77.5 Å²	77.5	44%	0.438	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	126.2	166.6	175.8	176.2	71.8	169.5	4.2	108.6	L189 R191 V540	L189-R538 HydrophobicContact CB-CB 4.43Å; L189-R538 PolarHBondContact N-O 2.89Å; L189-R538 PolarHBondContact O-N 2.9Å; R191-R538 HydrophobicContact CG-CB 4.45Å; R538-V540 HydrophobicContact CG-CG2 4.31Å
539	V	98.3	Very high	97.7	Very high	94 Å²	94	80 Å²	80	57%	0.57	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.2	129.2	170.4	-178.5	0	0	0	0	109	P178 T187	P178-V539 HydrophobicContact CG-CG1 4.34Å; T187-V539 CarbonylContact O-C 3.56Å; T187-V539 WeakPolarHBondContact O-CA 3.4Å
540	V	98.3	Very high	97.5	Very high	53 Å²	53	82.7 Å²	82.7	32%	0.321	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	121	174.5	-177.5	0	0	0	0	107.6	N186 T187 L189 R538	N186-V540 CarbonylContact C-O 3.55Å; N186-V540 VanDerWaalsContact CA-O 3.31Å; N186-V540 WeakPolarHBondContact CA-O 3.43Å; T187-V540 PolarHBondContact N-O 3.39Å; T187-V540 PolarHBondContact O-N 3.46Å; L189-V540 HydrophobicContact CD1-CG2 3.8Å; L189-V540 HydrophobicContact CG-CG2 4.45Å; R538-V540 HydrophobicContact CG-CG2 4.31Å
541	K	98.1	Very high	97.4	Very high	134 Å²	134	86.7 Å²	86.7	58%	0.583	44%	0.442	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.9	123.8	168.7	177.7	179.6	177	-176.6	0	108.6	S184 T185 N186 T543	S184-K541 WeakPolarHBondContact OG-CE 3.23Å; T185-K541 WeakPolarHBondContact O-CA 3.29Å; N186-K541 VanDerWaalsContact OD1-CB 3.32Å; N186-K541 WeakPolarHBondContact OD1-CB 3.29Å; N186-K541 WeakPolarHBondContact OD1-CG 3.39Å; K541-T543 WeakPolarHBondContact CE-OG1 3.49Å
542	Q	97.9	Very high	97.3	Very high	116 Å²	116	93.9 Å²	93.9	54%	0.542	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	113.1	168.8	-175	177.3	-1.1	0	0	108.8	S184 T185	S184-Q542 CarbonylContact C-O 3.52Å; S184-Q542 VanDerWaalsContact CA-O 3.23Å; S184-Q542 WeakPolarHBondContact CA-O 3.11Å; T185-Q542 PolarHBondContact N-O 2.76Å; T185-Q542 PolarHBondContact O-N 2.99Å
543	T	97.9	Very high	97.1	Very high	75 Å²	75	97 Å²	97	46%	0.46	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	131.8	173.3	-50.8	0	0	0	0	109.4	E183 S184 K541 V545	E183-T543 WeakPolarHBondContact O-CA 3.31Å; S184-T543 PolarHBondContact OG-OG1 3.35Å; K541-T543 WeakPolarHBondContact CE-OG1 3.49Å; T543-V545 HydrophobicContact CG2-CG2 3.96Å; T543-V545 VanDerWaalsContact CG2-O 3.3Å; T543-V545 WeakPolarHBondContact CG2-O 3.3Å
544	H	97.4	Very high	96.9	Very high	98 Å²	98	102.5 Å²	102.5	45%	0.454	52%	0.516	S	S	.	.			trans	-100.4	-4.5	-175.9	-53.6	-57.8	0	0	0	113.5	E183 T185	E183-H544 PolarHBondContact O-N 3.43Å; T185-H544 PolarHBondContact OG1-NE2 3.42Å
545	V	96.1	Very high	96.7	Very high	81 Å²	81	106.4 Å²	106.4	49%	0.491	54%	0.535	S	S	.	.	S	Bend	trans	-115.8	132.5	176.6	-63.8	0	0	0	0	110.1	E183 T543	E183-V545 HydrophobicContact CB-CG2 3.93Å; E183-V545 HydrophobicContact CG-CG2 4.25Å; T543-V545 HydrophobicContact CG2-CG2 3.96Å; T543-V545 VanDerWaalsContact CG2-O 3.3Å; T543-V545 WeakPolarHBondContact CG2-O 3.3Å
546	P	95.2	Very high	96	Very high	114 Å²	114	111.4 Å²	111.4	74%	0.74	59%	0.587	S	S	*	*			trans	-65.1	146.1	176.7	-21.8	33.5	0	0	0	112.6	T548	P546-T548 HydrophobicContact CB-CG2 4.49Å
547	L	95.8	Very high	95.9	Very high	160 Å²	160	115 Å²	115	84%	0.838	60%	0.603	S	S	*	*			trans	-81.8	117.2	164.3	-176.1	69.2	0	0	0	108.3	E549	L547-E549 WeakPolarHBondContact CD1-O 3.41Å
548	T	96.1	Very high	95.7	Very high	137 Å²	137	117.6 Å²	117.6	84%	0.84	61%	0.612	S	S	*	*			trans	-104.9	-16.4	-174.5	54.9	0	0	0	0	114.1	P546	P546-T548 HydrophobicContact CB-CG2 4.49Å
549	E	95.3	Very high	95.6	Very high	117 Å²	117	117.7 Å²	117.7	55%	0.547	62%	0.621	S	S	.	*			trans	-139.3	139.1	-176.6	-177.9	94.2	-108.1	0	0	108.2	L547 K551	L547-E549 WeakPolarHBondContact CD1-O 3.41Å; E549-K551 HydrophobicContact CG-CB 3.85Å
550	W	95.2	Very high	95.4	Very high	189 Å²	189	119.1 Å²	119.1	72%	0.716	62%	0.624	S	S	*	*	S	Bend	trans	-90.1	-23.5	173.9	69.9	-89.9	0	0	0	112.6	M555	W550-M555 HydrophobicContact CH2-CE 4.14Å; W550-M555 HydrophobicContact CZ3-CE 3.89Å
551	K	95.8	Very high	95.3	Very high	89 Å²	89	123.2 Å²	123.2	39%	0.387	64%	0.643	S	S	.	*	S	Bend	trans	-69.6	150	174.3	-68.7	-177.7	168.9	-168.7	0	110.9	E549 M555 G556	E549-K551 HydrophobicContact CG-CB 3.85Å; K551-M555 HydrophobicContact CB-SD 4.46Å; K551-M555 HydrophobicContact CG-CE 4.49Å; K551-G556 PolarHBondContact NZ-O 2.88Å
552	Y	95.6	Very high	95.1	Very high	152 Å²	152	122.5 Å²	122.5	60%	0.596	65%	0.647	S	S	*	*			trans	-93.2	152.4	168.4	-67.8	-86.6	0	0	0	110.6	Y554 M555	Y552-Y554 VanDerWaalsContact CB-CD1 3.48Å; Y552-Y554 HydrophobicContact CD2-CE1 4.2Å; Y552-Y554 HydrophobicContact CG-CD1 4.4Å; Y552-Y554 AromaticContact CG-CE1 3.86Å; Y552-Y554 HydrophobicContact CG-CE1 3.86Å; Y552-Y554 PolarHBondContact O-N 2.99Å; Y552-M555 HydrophobicContact CD2-SD 4.08Å; Y552-M555 WeakPolarHBondContact O-CB 3.39Å; Y552-M555 PolarHBondContact O-N 2.95Å
553	P	93.9	Very high	94.9	Very high	132 Å²	132	122.9 Å²	122.9	86%	0.857	66%	0.655	S	S	*	*	G	3₁₀ helix	trans	-54.8	-25.4	-178.6	-29.6	36.1	0	0	0	115.6	M555	P553-M555 VanDerWaalsContact C-N 3.28Å; P553-M555 PolarHBondContact O-N 3.44Å
554	Y	95.8	Very high	94.6	Very high	188 Å²	188	126.6 Å²	126.6	74%	0.737	67%	0.67	S	S	*	*	G	3₁₀ helix	trans	-78	-9.6	179.4	76.4	-93.2	0	0	0	114	Y552	Y552-Y554 VanDerWaalsContact CB-CD1 3.48Å; Y552-Y554 HydrophobicContact CD2-CE1 4.2Å; Y552-Y554 HydrophobicContact CG-CD1 4.4Å; Y552-Y554 AromaticContact CG-CE1 3.86Å; Y552-Y554 HydrophobicContact CG-CE1 3.86Å; Y552-Y554 PolarHBondContact O-N 2.99Å
555	M	94.4	Very high	94.4	Very high	82 Å²	82	129 Å²	129	40%	0.404	69%	0.688	S	S	.	*	G	3₁₀ helix	trans	-87.8	-4.2	-173.2	-65.3	175.2	61.5	0	0	114.4	W550 K551 Y552 P553	W550-M555 HydrophobicContact CH2-CE 4.14Å; W550-M555 HydrophobicContact CZ3-CE 3.89Å; K551-M555 HydrophobicContact CB-SD 4.46Å; K551-M555 HydrophobicContact CG-CE 4.49Å; Y552-M555 HydrophobicContact CD2-SD 4.08Å; Y552-M555 WeakPolarHBondContact O-CB 3.39Å; Y552-M555 PolarHBondContact O-N 2.95Å; P553-M555 VanDerWaalsContact C-N 3.28Å; P553-M555 PolarHBondContact O-N 3.44Å
556	G	83.8	Confident	94.3	Very high	107 Å²	107	133.4 Å²	133.4	100%	1.103	71%	0.706	S	S	*	*			trans	86.7	0	-173.1	0	0	0	0	0	112.7	K551	K551-G556 PolarHBondContact NZ-O 2.88Å

Retrieved 556 of 556 residues in 307.5 ms (Link to these results)

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