A0A3Q0KC95_SCHMA Loading...

NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial

Core subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I) which catalyzes electron transfer from NADH through the respiratory chain, using ubiquinone as an electron acceptor. Essential for the catalytic activity and assembly of complex I.

AlphaFold DB , UniProt , Accession A0A3Q0KC95, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 475 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	37.4	Very low	30.8	Very low	248 Å²	248	172.2 Å²	172.2	100%	1.222	87%	0.873	S	S	*	*				0	136	0	-87.6	-179	-174.2	0	0	108.6
2	L	29.4	Very low	30.8	Very low	152 Å²	152	168.9 Å²	168.9	80%	0.796	87%	0.868	S	S	*	*			trans	-56.6	143.3	-170	-67	93.8	0	0	0	114
3	R	34.6	Very low	30.7	Very low	243 Å²	243	160.9 Å²	160.9	92%	0.917	85%	0.852	S	S	*	*				-166.6	115.4	125.1	-102	165.4	-166.3	-143.2	3.7	110.5
4	Y	30.2	Very low	30.7	Very low	217 Å²	217	166.6 Å²	166.6	85%	0.851	86%	0.856	S	S	*	*			trans	-75.9	138.7	170.5	-88.5	-101.5	0	0	0	110.2
5	T	34.3	Very low	30.5	Very low	133 Å²	133	165.5 Å²	165.5	82%	0.816	85%	0.853	S	S	*	*			trans	-130.3	115.3	158.3	-27.9	0	0	0	0	108.2
6	K	29.7	Very low	30.4	Very low	204 Å²	204	161.8 Å²	161.8	89%	0.887	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-63.7	130	179.8	-92.3	174.9	169.1	176.3	0	111
7	V	29.6	Very low	30.1	Very low	137 Å²	137	159.2 Å²	159.2	83%	0.83	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-94.1	119.6	163	179.3	0	0	0	0	107.8
8	L	27.4	Very low	29.9	Very low	157 Å²	157	156.4 Å²	156.4	82%	0.822	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-73.1	127.9	167.9	-86.4	137.9	0	0	0	109.3
9	P	31.3	Very low	29.7	Very low	120 Å²	120	154.5 Å²	154.5	78%	0.779	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-85.7	129.5	162.1	26.4	-16.5	0	0	0	109.6	S11	P9-S11 PolarHBondContact O-N 3.37Å
10	L	26.2	Very low	29.5	Very low	167 Å²	167	154.9 Å²	154.9	87%	0.874	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-52.9	129.7	174	-76.3	97.4	0	0	0	111	V12	L10-V12 PolarHBondContact O-N 3.4Å
11	S	28.9	Very low	29.4	Very low	116 Å²	116	156.4 Å²	156.4	81%	0.811	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-68.7	117.8	168.3	66.6	0	0	0	0	109.8	P9 G13	P9-S11 PolarHBondContact O-N 3.37Å; S11-G13 PolarHBondContact O-N 3.45Å
12	V	31	Very low	28.9	Very low	133 Å²	133	153.2 Å²	153.2	81%	0.806	79%	0.792	S	S	*	*			trans	-79.7	96.1	166.6	-178.9	0	0	0	0	108	L10 R14	L10-V12 PolarHBondContact O-N 3.4Å; V12-R14 PolarHBondContact O-N 3.27Å
13	G	28.5	Very low	28.9	Very low	65 Å²	65	151.2 Å²	151.2	67%	0.67	79%	0.79	S	S	*	*			trans	-68.3	108.3	168.8	0	0	0	0	0	110.5	S11 N15	S11-G13 PolarHBondContact O-N 3.45Å; G13-N15 PolarHBondContact O-N 3.12Å
14	R	31.7	Very low	28.7	Very low	240 Å²	240	145.9 Å²	145.9	91%	0.906	79%	0.785	S	S	*	*			trans	-79.6	102.7	170.8	-100	179.2	169.8	175.2	-3.2	109.3	V12 S16	V12-R14 PolarHBondContact O-N 3.27Å; R14-S16 PolarHBondContact O-N 3.35Å
15	N	27.9	Very low	29	Very low	151 Å²	151	140 Å²	140	81%	0.807	78%	0.781	S	S	*	*			trans	-60.6	108.6	166.8	-76.9	-27.8	0	0	0	110.6	G13 V17	G13-N15 PolarHBondContact O-N 3.12Å; N15-V17 HydrophobicContact CB-CG2 4.34Å; N15-V17 PolarHBondContact O-N 3.37Å
16	S	27.5	Very low	28.9	Very low	106 Å²	106	138.4 Å²	138.4	74%	0.741	78%	0.775	S	S	*	*			trans	-76.9	99.3	153.7	55.6	0	0	0	0	107.5	R14 V18	R14-S16 PolarHBondContact O-N 3.35Å; S16-V18 VanDerWaalsContact C-N 3.27Å; S16-V18 PolarHBondContact O-N 3.08Å
17	V	26.1	Very low	29.1	Very low	117 Å²	117	135 Å²	135	71%	0.709	77%	0.774	S	S	*	*			trans	-74.5	87.5	173	-177.1	0	0	0	0	108	N15 I19	N15-V17 HydrophobicContact CB-CG2 4.34Å; N15-V17 PolarHBondContact O-N 3.37Å; V17-I19 HydrophobicContact CG1-CG1 3.8Å; V17-I19 PolarHBondContact O-N 3.25Å
18	V	26.5	Very low	29.4	Very low	110 Å²	110	133.9 Å²	133.9	67%	0.667	77%	0.768	S	S	*	*			trans	-70.4	104.6	157.5	179.7	0	0	0	0	105.6	S16 K20	S16-V18 VanDerWaalsContact C-N 3.27Å; S16-V18 PolarHBondContact O-N 3.08Å; V18-K20 HydrophobicContact CG1-CG 4.03Å; V18-K20 PolarHBondContact O-N 3.07Å
19	I	25.8	Very low	29.6	Very low	120 Å²	120	134.8 Å²	134.8	62%	0.615	77%	0.773	S	S	*	*			trans	-71.7	84.7	170.9	-54.8	178.6	0	0	0	107.5	V17 F21	V17-I19 HydrophobicContact CG1-CG1 3.8Å; V17-I19 PolarHBondContact O-N 3.25Å; I19-F21 HydrophobicContact CB-CE2 4.41Å; I19-F21 HydrophobicContact CG2-CD2 3.51Å; I19-F21 HydrophobicContact CG2-CE1 4.48Å; I19-F21 HydrophobicContact CG2-CE2 3.31Å; I19-F21 HydrophobicContact CG2-CG 4.2Å; I19-F21 HydrophobicContact CG2-CZ 3.85Å; I19-F21 PolarHBondContact O-N 3.22Å
20	K	25.1	Very low	29.9	Very low	161 Å²	161	134.1 Å²	134.1	70%	0.7	77%	0.767	S	S	*	*			trans	-71.5	98.1	161.1	-80.8	-175.9	176.8	178.7	0	107.2	V18 F22	V18-K20 HydrophobicContact CG1-CG 4.03Å; V18-K20 PolarHBondContact O-N 3.07Å; K20-F22 HydrophobicContact CB-CD2 4.33Å; K20-F22 HydrophobicContact CB-CE2 4.26Å; K20-F22 HydrophobicContact CD-CE2 4.31Å; K20-F22 PolarHBondContact O-N 3.26Å
21	F	28.4	Very low	30.6	Very low	187 Å²	187	132.8 Å²	132.8	82%	0.82	77%	0.766	S	S	*	*			trans	-69.3	96.6	165.3	-82.6	-80.1	0	0	0	108.9	I19 S23	I19-F21 HydrophobicContact CB-CE2 4.41Å; I19-F21 HydrophobicContact CG2-CD2 3.51Å; I19-F21 HydrophobicContact CG2-CE1 4.48Å; I19-F21 HydrophobicContact CG2-CE2 3.31Å; I19-F21 HydrophobicContact CG2-CG 4.2Å; I19-F21 HydrophobicContact CG2-CZ 3.85Å; I19-F21 PolarHBondContact O-N 3.22Å; F21-S23 PolarHBondContact O-N 2.97Å
22	F	26.1	Very low	31.3	Very low	182 Å²	182	135.8 Å²	135.8	80%	0.798	77%	0.768	S	S	*	*			trans	-74.7	99.4	156.8	-79.6	-86.5	0	0	0	107.2	K20	K20-F22 HydrophobicContact CB-CD2 4.33Å; K20-F22 HydrophobicContact CB-CE2 4.26Å; K20-F22 HydrophobicContact CD-CE2 4.31Å; K20-F22 PolarHBondContact O-N 3.26Å
23	S	30.7	Very low	32.4	Very low	110 Å²	110	134.7 Å²	134.7	77%	0.769	76%	0.761	S	S	*	*			trans	-85.3	114.4	163.7	175.1	0	0	0	0	107.9	F21 A25	F21-S23 PolarHBondContact O-N 2.97Å; S23-A25 PolarHBondContact O-N 3.37Å
24	T	30.6	Very low	33.9	Very low	131 Å²	131	137.8 Å²	137.8	80%	0.804	77%	0.767	S	S	*	*			trans	-68.2	103	164.8	41.9	0	0	0	0	108.3	S26	T24-S26 PolarHBondContact O-N 3.27Å
25	A	35.2	Very low	36.1	Very low	94 Å²	94	130.1 Å²	130.1	78%	0.777	74%	0.741	S	S	*	*			trans	-62.8	116.4	172.1	0	0	0	0	0	109.7	S23	S23-A25 PolarHBondContact O-N 3.37Å
26	S	33.3	Very low	38.6	Very low	98 Å²	98	128.7 Å²	128.7	69%	0.685	74%	0.737	S	S	*	*			trans	-80.1	137.9	156	-65.6	0	0	0	0	107.7	T24 T28	T24-S26 PolarHBondContact O-N 3.27Å; S26-T28 PolarHBondContact O-N 3.32Å
27	P	33.3	Very low	41.5	Very low	133 Å²	133	128.6 Å²	128.6	86%	0.864	73%	0.732	S	S	*	*			trans	-76.1	99.8	-176.1	30.3	-30.5	0	0	0	109.2
28	T	35.7	Very low	44.7	Very low	113 Å²	113	124.5 Å²	124.5	69%	0.693	70%	0.704	S	S	*	*			trans	-88.8	110.4	161.2	42.8	0	0	0	0	108.2	S26 T30	S26-T28 PolarHBondContact O-N 3.32Å; T28-T30 VanDerWaalsContact C-N 3.31Å; T28-T30 PolarHBondContact O-N 3.5Å; T28-T30 PolarHBondContact O-OG1 2.88Å
29	N	31.3	Very low	47.6	Very low	176 Å²	176	120.1 Å²	120.1	94%	0.941	68%	0.681	S	S	*	*			trans	-50.4	95	167.4	-104	-13.6	0	0	0	109.3
30	T	38.4	Very low	50.8	Low	107 Å²	107	118.6 Å²	118.6	66%	0.656	68%	0.679	S	S	*	*			trans	-116.9	114.4	167.6	33.2	0	0	0	0	105.8	T28 Q32	T28-T30 VanDerWaalsContact C-N 3.31Å; T28-T30 PolarHBondContact O-N 3.5Å; T28-T30 PolarHBondContact O-OG1 2.88Å; T30-Q32 PolarHBondContact O-N 2.93Å
31	T	41.4	Very low	54.2	Low	139 Å²	139	111.3 Å²	111.3	85%	0.853	65%	0.648	S	S	*	*			trans	-42.6	105.4	167.9	27.5	0	0	0	0	109.3	T33	T31-T33 PolarHBondContact O-N 3.22Å
32	Q	43.4	Very low	57.5	Low	179 Å²	179	104.4 Å²	104.4	84%	0.836	62%	0.623	S	S	*	*			trans	-61.5	104.5	174.5	-83	179.7	-21.5	0	0	108.3	T30 T34	T30-Q32 PolarHBondContact O-N 2.93Å; Q32-T34 PolarHBondContact O-N 3.44Å
33	T	53.2	Low	60.9	Low	109 Å²	109	101.7 Å²	101.7	67%	0.669	62%	0.617	S	S	*	*			trans	-70.9	113.8	168.5	24.7	0	0	0	0	108.9	T31 K35	T31-T33 PolarHBondContact O-N 3.22Å; T33-K35 PolarHBondContact O-N 3.08Å; T33-K35 VanDerWaalsContact O-N 3.08Å
34	T	60	Low	64.1	Low	130 Å²	130	103.4 Å²	103.4	80%	0.798	61%	0.612	S	S	*	*			trans	-73.8	20.7	-175.4	45.3	0	0	0	0	114.6	Q32 T36	Q32-T34 PolarHBondContact O-N 3.44Å; T34-T36 PolarHBondContact O-N 3.44Å; T34-T36 VanDerWaalsContact O-N 3.1Å
35	K	78.9	Confident	67.3	Low	80 Å²	80	98.6 Å²	98.6	35%	0.348	58%	0.582	S	S	.	*			trans	-66.8	113	-177.5	-173.3	175.8	178.2	-173.5	0	109	T33 T37 Y38 E297	T33-K35 PolarHBondContact O-N 3.08Å; T33-K35 VanDerWaalsContact O-N 3.08Å; K35-T37 WeakPolarHBondContact CE-O 3.27Å; K35-T37 VanDerWaalsContact CG-O 3.3Å; K35-T37 WeakPolarHBondContact CG-O 3.41Å; K35-Y38 HydrophobicContact CB-CE1 4.42Å; K35-Y38 HydrophobicContact CD-CD1 4.25Å; K35-Y38 HydrophobicContact CD-CE1 4.26Å; K35-Y38 HydrophobicContact CG-CD1 4.36Å; K35-Y38 HydrophobicContact CG-CE1 4.09Å; K35-Y38 VanDerWaalsContact O-CZ 3.23Å; K35-Y38 PolarHBondContact O-OH 2.87Å; K35-E297 IonicContact NZ-OE1 3.73Å; K35-E297 PolarHBondContact NZ-OE1 2.96Å; K35-E297 IonicContact NZ-OE2 3.85Å; K35-E297 PolarHBondContact NZ-OE2 3.07Å
36	T	79.9	Confident	70.3	Confident	121 Å²	121	96.4 Å²	96.4	74%	0.742	55%	0.553	S	S	*	*			trans	-102.8	-13.6	178.4	53.2	0	0	0	0	113.5	T34	T34-T36 PolarHBondContact O-N 3.44Å; T34-T36 VanDerWaalsContact O-N 3.1Å
37	T	88	Confident	73.4	Confident	103 Å²	103	91.9 Å²	91.9	63%	0.632	52%	0.522	S	S	*	.			trans	-113.3	128.7	179	54.4	0	0	0	0	109.7	K35	K35-T37 WeakPolarHBondContact CE-O 3.27Å; K35-T37 VanDerWaalsContact CG-O 3.3Å; K35-T37 WeakPolarHBondContact CG-O 3.41Å
38	Y	93	Very high	76.5	Confident	32 Å²	32	85.9 Å²	85.9	13%	0.125	48%	0.482	C	S	.	.			trans	-122.4	140	-178.1	-51.7	-77	0	0	0	110.2	K35 R273 S299 L342	K35-Y38 HydrophobicContact CB-CE1 4.42Å; K35-Y38 HydrophobicContact CD-CD1 4.25Å; K35-Y38 HydrophobicContact CD-CE1 4.26Å; K35-Y38 HydrophobicContact CG-CD1 4.36Å; K35-Y38 HydrophobicContact CG-CE1 4.09Å; K35-Y38 VanDerWaalsContact O-CZ 3.23Å; K35-Y38 PolarHBondContact O-OH 2.87Å; Y38-R273 HydrophobicContact CD2-CG 4.44Å; Y38-R273 HydrophobicContact CE1-CG 4.09Å; Y38-R273 HydrophobicContact CE2-CG 3.54Å; Y38-R273 WeakPolarHBondContact OH-CG 3.46Å; Y38-S299 WeakPolarHBondContact CB-O 3.08Å; Y38-S299 WeakPolarHBondContact CD2-O 3.42Å; Y38-L342 HydrophobicContact CD2-CD1 4.4Å; Y38-L342 HydrophobicContact CE2-CD1 4.32Å
39	G	88	Confident	79.4	Confident	17 Å²	17	83.8 Å²	83.8	18%	0.175	47%	0.469	C	S	.	.			trans	73.5	165.6	-164.3	0	0	0	0	0	112.7	E297	G39-E297 PolarHBondContact N-OE2 3.3Å
40	P	92.8	Very high	82.6	Confident	88 Å²	88	75.5 Å²	75.5	57%	0.571	43%	0.425	S	S	*	.	P	Polyproline II helix	cis	-74.6	145.4	-11.4	31.8	-34.3	0	0	0	112.3
41	L	97.1	Very high	85.5	Confident	9 Å²	9	70.8 Å²	70.8	5%	0.047	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-75.5	133	173	-172.4	71.8	0	0	0	110.1	D45 R46 F271 T279 E295 E296	L41-D45 HydrophobicContact CD1-CB 3.51Å; L41-D45 HydrophobicContact CG-CB 3.95Å; L41-R46 HydrophobicContact CD2-CG 3.96Å; L41-R46 PolarHBondContact O-NH2 2.84Å; L41-F271 HydrophobicContact CD1-CD1 3.9Å; L41-F271 HydrophobicContact CD1-CE1 3.59Å; L41-F271 HydrophobicContact CD1-CZ 4.02Å; L41-T279 HydrophobicContact CD1-CG2 3.94Å; L41-T279 HydrophobicContact CD2-CG2 3.56Å; L41-T279 HydrophobicContact CG-CG2 4.43Å; L41-E295 HydrophobicContact CD2-CG 4.3Å; L41-E296 WeakPolarHBondContact CA-OE1 3.28Å; L41-E296 WeakPolarHBondContact CB-OE1 3.03Å; L41-E296 PolarHBondContact N-OE1 2.77Å
42	S	97.3	Very high	88.2	Confident	42 Å²	42	70.1 Å²	70.1	29%	0.294	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-68.4	152.6	174	80.6	0	0	0	0	110.8	E44 D45 R46	S42-E44 PolarHBondContact O-N 3.06Å; S42-E44 WeakPolarHBondContact OG-CG 3.42Å; S42-D45 PolarHBondContact O-N 2.96Å; S42-D45 VanDerWaalsContact O-N 3.08Å; S42-D45 WeakPolarHBondContact OG-CB 3.24Å; S42-D45 PolarHBondContact OG-N 3.3Å; S42-D45 PolarHBondContact OG-OD2 3.15Å; S42-R46 PolarHBondContact O-N 3.11Å
43	D	97.8	Very high	90.8	Very high	125 Å²	125	63 Å²	63	67%	0.668	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-65.7	-28.6	179.3	-72.4	-23.1	0	0	0	112.9	D45 R46	D43-D45 PolarHBondContact O-N 3.05Å; D43-R46 WeakPolarHBondContact O-CB 3.28Å; D43-R46 PolarHBondContact O-N 2.86Å; D43-R46 IonicContact OD1-CZ 3.86Å; D43-R46 IonicContact OD1-NE 3.85Å; D43-R46 PolarHBondContact OD1-NE 3.3Å; D43-R46 IonicContact OD1-NH2 3.22Å
44	E	97.2	Very high	92.9	Very high	146 Å²	146	67.8 Å²	67.8	68%	0.682	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-73.8	-15.1	175	62.8	176.6	-169.6	0	0	113.5	S42 R263	S42-E44 PolarHBondContact O-N 3.06Å; S42-E44 WeakPolarHBondContact OG-CG 3.42Å; E44-R263 PolarHBondContact O-NH1 2.87Å; E44-R263 PolarHBondContact O-NH2 3.08Å
45	D	98	Very high	94.7	Very high	30 Å²	30	67.4 Å²	67.4	16%	0.16	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-93.6	-6.8	175.4	-70.5	-46.9	0	0	0	113.4	L41 S42 D43 R263 W267 F271	L41-D45 HydrophobicContact CD1-CB 3.51Å; L41-D45 HydrophobicContact CG-CB 3.95Å; S42-D45 PolarHBondContact O-N 2.96Å; S42-D45 VanDerWaalsContact O-N 3.08Å; S42-D45 WeakPolarHBondContact OG-CB 3.24Å; S42-D45 PolarHBondContact OG-N 3.3Å; S42-D45 PolarHBondContact OG-OD2 3.15Å; D43-D45 PolarHBondContact O-N 3.05Å; D45-R263 IonicContact OD1-NH1 2.86Å; D45-W267 HydrophobicContact CB-CZ2 4.22Å; D45-W267 WeakPolarHBondContact O-CZ2 3.19Å; D45-W267 PolarHBondContact OD1-NE1 3.25Å; D45-F271 HydrophobicContact CB-CE1 4.31Å; D45-F271 HydrophobicContact CB-CE2 4.48Å; D45-F271 HydrophobicContact CB-CZ 3.73Å
46	R	98.3	Very high	95.6	Very high	47 Å²	47	66.2 Å²	66.2	18%	0.177	35%	0.346	C	S	.	.			trans	-70	131.3	175.1	-61.9	-177.9	-173.4	-65.5	-5.7	110.6	L41 S42 D43 T49 E295	L41-R46 HydrophobicContact CD2-CG 3.96Å; L41-R46 PolarHBondContact O-NH2 2.84Å; S42-R46 PolarHBondContact O-N 3.11Å; D43-R46 WeakPolarHBondContact O-CB 3.28Å; D43-R46 PolarHBondContact O-N 2.86Å; D43-R46 IonicContact OD1-CZ 3.86Å; D43-R46 IonicContact OD1-NE 3.85Å; D43-R46 PolarHBondContact OD1-NE 3.3Å; D43-R46 IonicContact OD1-NH2 3.22Å; R46-T49 WeakPolarHBondContact O-CG2 3.43Å; R46-E295 WeakPolarHBondContact CA-OE2 3.47Å; R46-E295 WeakPolarHBondContact CB-OE2 3.49Å; R46-E295 PolarHBondContact NH1-O 3.08Å
47	I	98.4	Very high	96.5	Very high	4 Å²	4	63.1 Å²	63.1	2%	0.021	32%	0.32	C	S	.	.	S	Bend	trans	-81.7	-40.4	176.1	-61.4	179.4	0	0	0	110.1	T49 V256 T259 W267 F268 E295	I47-T49 VanDerWaalsContact C-N 3.35Å; I47-T49 PolarHBondContact O-N 3.38Å; I47-T49 VanDerWaalsContact O-N 3.17Å; I47-V256 HydrophobicContact CD1-CB 3.95Å; I47-V256 HydrophobicContact CD1-CG1 3.82Å; I47-V256 HydrophobicContact CG2-CB 4.45Å; I47-V256 HydrophobicContact CG2-CG1 4.15Å; I47-T259 HydrophobicContact CD1-CG2 4.49Å; I47-T259 HydrophobicContact CG1-CG2 4.03Å; I47-T259 HydrophobicContact CG2-CG2 4.16Å; I47-W267 HydrophobicContact CD1-CH2 4.05Å; I47-W267 HydrophobicContact CD1-CZ3 4.14Å; I47-W267 HydrophobicContact CG1-CH2 3.75Å; I47-W267 HydrophobicContact CG1-CZ3 4.26Å; I47-F268 HydrophobicContact CD1-CD2 3.91Å; I47-F268 HydrophobicContact CD1-CE2 3.66Å; I47-E295 WeakPolarHBondContact CB-OE1 3.35Å; I47-E295 VanDerWaalsContact N-CD 3.33Å; I47-E295 PolarHBondContact N-OE1 3.12Å; I47-E295 PolarHBondContact N-OE2 3.49Å
48	F	98.4	Very high	97	Very high	6 Å²	6	63.7 Å²	63.7	3%	0.026	31%	0.311	C	S	.	.			trans	-92.7	66.1	-175.2	-59.2	-71.3	0	0	0	110.8	N50 L51 I136 T143 E252 A255 V256 L281 E295	F48-N50 VanDerWaalsContact C-N 3.26Å; F48-N50 PolarHBondContact O-N 3.17Å; F48-L51 HydrophobicContact CB-CB 4.37Å; F48-L51 HydrophobicContact CB-CD1 4.26Å; F48-L51 VanDerWaalsContact O-CB 3.31Å; F48-L51 WeakPolarHBondContact O-CB 3.46Å; F48-L51 PolarHBondContact O-N 2.96Å; F48-L51 VanDerWaalsContact O-N 3.1Å; F48-I136 HydrophobicContact CD1-CD1 4.13Å; F48-I136 HydrophobicContact CD1-CG1 3.83Å; F48-I136 HydrophobicContact CE1-CD1 3.48Å; F48-I136 VanDerWaalsContact CE1-CD1 3.48Å; F48-I136 HydrophobicContact CE1-CG1 3.67Å; F48-I136 HydrophobicContact CE1-CG2 4.41Å; F48-I136 HydrophobicContact CE2-CD1 4.44Å; F48-I136 HydrophobicContact CZ-CD1 3.65Å; F48-I136 HydrophobicContact CZ-CG1 4.28Å; F48-T143 HydrophobicContact CD1-CG2 4.19Å; F48-T143 HydrophobicContact CE1-CG2 4.17Å; F48-E252 HydrophobicContact CE2-CG 4.04Å; F48-E252 HydrophobicContact CZ-CG 3.95Å; F48-A255 HydrophobicContact CE1-CB 3.77Å; F48-A255 HydrophobicContact CZ-CB 4.21Å; F48-V256 HydrophobicContact CE2-CG1 3.72Å; F48-V256 HydrophobicContact CZ-CG1 3.53Å; F48-L281 HydrophobicContact CB-CD2 4.47Å; F48-L281 HydrophobicContact CD2-CD1 3.73Å; F48-L281 HydrophobicContact CD2-CD2 3.8Å; F48-L281 HydrophobicContact CD2-CG 3.72Å; F48-L281 HydrophobicContact CE2-CD1 3.71Å; F48-L281 HydrophobicContact CE2-CD2 4.44Å; F48-L281 HydrophobicContact CE2-CG 3.85Å; F48-L281 HydrophobicContact CG-CD1 4.21Å; F48-L281 HydrophobicContact CG-CD2 4.37Å; F48-L281 HydrophobicContact CZ-CD1 4.19Å; F48-E295 HydrophobicContact CD2-CG 4.43Å; F48-E295 PolarHBondContact N-OE2 2.84Å
49	T	97.8	Very high	97.2	Very high	69 Å²	69	63.4 Å²	63.4	42%	0.423	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-23.4	-169.9	53.6	0	0	0	0	115	R46 I47 R65	R46-T49 WeakPolarHBondContact O-CG2 3.43Å; I47-T49 VanDerWaalsContact C-N 3.35Å; I47-T49 PolarHBondContact O-N 3.38Å; I47-T49 VanDerWaalsContact O-N 3.17Å; T49-R65 WeakPolarHBondContact OG1-CD 3.31Å
50	N	98.2	Very high	97.7	Very high	2 Å²	2	69.8 Å²	69.8	1%	0.011	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.4	28.1	174.9	-162.1	32.6	0	0	0	113.4	F48 Y52 G53 R54 H55 H139	F48-N50 VanDerWaalsContact C-N 3.26Å; F48-N50 PolarHBondContact O-N 3.17Å; N50-Y52 PolarHBondContact O-N 2.74Å; N50-G53 PolarHBondContact O-N 3.39Å; N50-R54 PolarHBondContact OD1-N 3.37Å; N50-R54 VanDerWaalsContact OD1-N 3.13Å; N50-H55 PolarHBondContact ND2-O 3.46Å; N50-H55 WeakPolarHBondContact OD1-CB 3.36Å; N50-H55 PolarHBondContact OD1-N 2.91Å; N50-H139 PolarHBondContact ND2-O 3.02Å; N50-H139 WeakPolarHBondContact O-CB 3.37Å
51	L	98.2	Very high	98	Very high	9 Å²	9	65.8 Å²	65.8	5%	0.047	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-31.3	-175.4	-172.4	67	0	0	0	114.3	F48 E135 H139 L281 T293	F48-L51 HydrophobicContact CB-CB 4.37Å; F48-L51 HydrophobicContact CB-CD1 4.26Å; F48-L51 VanDerWaalsContact O-CB 3.31Å; F48-L51 WeakPolarHBondContact O-CB 3.46Å; F48-L51 PolarHBondContact O-N 2.96Å; F48-L51 VanDerWaalsContact O-N 3.1Å; L51-E135 HydrophobicContact CD1-CB 3.52Å; L51-E135 HydrophobicContact CD1-CG 4.16Å; L51-E135 HydrophobicContact CG-CB 4.35Å; L51-H139 PolarHBondContact O-ND1 3.18Å; L51-L281 HydrophobicContact CD1-CD1 4.31Å; L51-L281 HydrophobicContact CD1-CD2 3.71Å; L51-L281 HydrophobicContact CD2-CD2 3.66Å; L51-L281 HydrophobicContact CG-CD2 4.36Å; L51-T293 HydrophobicContact CD2-CG2 4.28Å
52	Y	98.2	Very high	98	Very high	124 Å²	124	65.3 Å²	65.3	49%	0.486	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	9.1	-177.8	-56.2	-52.7	0	0	0	114.7	N50 R54 T293	N50-Y52 PolarHBondContact O-N 2.74Å; Y52-R54 PolarHBondContact O-N 3.5Å; Y52-T293 WeakPolarHBondContact CE1-O 3.48Å; Y52-T293 PolarHBondContact OH-O 2.82Å
53	G	97.9	Very high	98.1	Very high	31 Å²	31	68 Å²	68	32%	0.32	32%	0.315	S	S	.	.	S	Bend	trans	63.2	26.3	176.6	0	0	0	0	0	114.7	N50 H139	N50-G53 PolarHBondContact O-N 3.39Å; G53-H139 VanDerWaalsContact CA-CD2 3.41Å; G53-H139 WeakPolarHBondContact CA-CD2 3.32Å; G53-H139 VanDerWaalsContact CA-CG 3.5Å; G53-H139 PolarHBondContact N-ND1 3.42Å
54	R	97.9	Very high	98.1	Very high	208 Å²	208	69.3 Å²	69.3	79%	0.785	32%	0.318	S	S	*	.			trans	-79.5	-21.9	-177.7	-58.9	-57.2	-174.6	91.7	1.2	113.1	N50 Y52	N50-R54 PolarHBondContact OD1-N 3.37Å; N50-R54 VanDerWaalsContact OD1-N 3.13Å; Y52-R54 PolarHBondContact O-N 3.5Å
55	H	97.6	Very high	98.1	Very high	123 Å²	123	64.9 Å²	64.9	57%	0.569	29%	0.294	S	S	*	.	S	Bend	trans	-113.7	167.5	176.7	-54.9	90	0	0	0	110.4	N50 W57	N50-H55 PolarHBondContact ND2-O 3.46Å; N50-H55 WeakPolarHBondContact OD1-CB 3.36Å; N50-H55 PolarHBondContact OD1-N 2.91Å; H55-W57 PolarHBondContact O-N 3.37Å
56	D	98.1	Very high	98	Very high	55 Å²	55	64.7 Å²	64.7	29%	0.294	30%	0.3	S	S	.	.			trans	-61.5	119.6	178.7	-169.3	-3.2	0	0	0	110.7	R58 G61 R65	D56-R58 VanDerWaalsContact C-N 3.3Å; D56-R58 VanDerWaalsContact OD1-CB 3.31Å; D56-R58 WeakPolarHBondContact OD1-CB 3.48Å; D56-R58 WeakPolarHBondContact OD1-CG 3.43Å; D56-R58 IonicContact OD1-CZ 2.88Å; D56-R58 PolarHBondContact OD1-N 3.27Å; D56-R58 IonicContact OD1-NE 3.13Å; D56-R58 PolarHBondContact OD1-NE 3.08Å; D56-R58 IonicContact OD1-NH2 3.46Å; D56-R58 IonicContact OD2-CZ 2.85Å; D56-R58 IonicContact OD2-NE 3.25Å; D56-R58 PolarHBondContact OD2-NE 3.23Å; D56-R58 IonicContact OD2-NH2 2.67Å; D56-R58 PolarHBondContact OD2-NH2 3.33Å; D56-G61 WeakPolarHBondContact O-CA 3.5Å; D56-R65 PolarHBondContact O-NH1 2.9Å
57	W	98.3	Very high	98	Very high	55 Å²	55	62.7 Å²	62.7	21%	0.208	29%	0.293	C	S	.	.			trans	-78.2	-16.5	-179	61.1	-97.9	0	0	0	112.9	H55 H139 P141 N174 L177 A178	H55-W57 PolarHBondContact O-N 3.37Å; W57-H139 WeakPolarHBondContact CB-O 2.82Å; W57-P141 HydrophobicContact CE3-CG 3.55Å; W57-P141 HydrophobicContact CZ3-CG 4.01Å; W57-N174 HydrophobicContact CH2-CB 3.77Å; W57-N174 HydrophobicContact CZ2-CB 4.19Å; W57-N174 HydrophobicContact CZ3-CB 4.05Å; W57-N174 WeakPolarHBondContact CZ3-O 3.19Å; W57-L177 HydrophobicContact CH2-CB 4.19Å; W57-L177 HydrophobicContact CH2-CD2 3.8Å; W57-L177 HydrophobicContact CH2-CG 4.29Å; W57-L177 HydrophobicContact CZ2-CD2 4.41Å; W57-A178 HydrophobicContact CZ3-CB 4.27Å
58	R	98.4	Very high	98	Very high	116 Å²	116	63.4 Å²	63.4	44%	0.438	30%	0.295	S	S	.	.	S	Bend	trans	-72	173	179.6	-63.8	175.5	-64.4	178.5	5.7	112.4	D56 K60 G61 A62	D56-R58 VanDerWaalsContact C-N 3.3Å; D56-R58 VanDerWaalsContact OD1-CB 3.31Å; D56-R58 WeakPolarHBondContact OD1-CB 3.48Å; D56-R58 WeakPolarHBondContact OD1-CG 3.43Å; D56-R58 IonicContact OD1-CZ 2.88Å; D56-R58 PolarHBondContact OD1-N 3.27Å; D56-R58 IonicContact OD1-NE 3.13Å; D56-R58 PolarHBondContact OD1-NE 3.08Å; D56-R58 IonicContact OD1-NH2 3.46Å; D56-R58 IonicContact OD2-CZ 2.85Å; D56-R58 IonicContact OD2-NE 3.25Å; D56-R58 PolarHBondContact OD2-NE 3.23Å; D56-R58 IonicContact OD2-NH2 2.67Å; D56-R58 PolarHBondContact OD2-NH2 3.33Å; R58-K60 VanDerWaalsContact C-N 3.3Å; R58-K60 PolarHBondContact O-N 3.09Å; R58-K60 VanDerWaalsContact O-N 3.15Å; R58-G61 PolarHBondContact O-N 3.3Å; R58-A62 PolarHBondContact O-N 3.28Å
59	L	98.3	Very high	98	Very high	25 Å²	25	69.5 Å²	69.5	13%	0.131	32%	0.319	C	S	.	.	H	α-helix	trans	-52.4	-43.9	-171.2	-177.3	63.6	0	0	0	114	G61 A62 M63 W68 H142 E181 A185 F187	L59-G61 PolarHBondContact O-N 3.41Å; L59-A62 PolarHBondContact O-N 3.32Å; L59-M63 HydrophobicContact CD1-CG 4.11Å; L59-M63 HydrophobicContact CD1-SD 4.24Å; L59-M63 HydrophobicContact CG-CG 4.38Å; L59-M63 HydrophobicContact CG-SD 4.09Å; L59-M63 WeakPolarHBondContact O-CG 3.45Å; L59-M63 PolarHBondContact O-N 2.94Å; L59-W68 HydrophobicContact CD1-CG 4.49Å; L59-H142 VanDerWaalsContact CA-NE2 3.32Å; L59-H142 WeakPolarHBondContact CA-NE2 3.43Å; L59-H142 PolarHBondContact N-CD2 2.98Å; L59-H142 PolarHBondContact N-NE2 2.66Å; L59-H142 VanDerWaalsContact N-NE2 3.12Å; L59-E181 HydrophobicContact CB-CB 4.1Å; L59-E181 WeakPolarHBondContact CB-OE2 3.36Å; L59-E181 HydrophobicContact CD2-CB 4.41Å; L59-E181 PolarHBondContact N-OE2 3.12Å; L59-A185 HydrophobicContact CD2-CB 3.72Å; L59-F187 HydrophobicContact CD1-CD2 4.12Å; L59-F187 HydrophobicContact CD1-CE2 3.73Å; L59-F187 HydrophobicContact CD2-CE2 4.09Å; L59-F187 HydrophobicContact CG-CE2 4.45Å
60	K	98	Very high	98	Very high	152 Å²	152	71.3 Å²	71.3	66%	0.661	32%	0.321	S	S	*	.	H	α-helix	trans	-59.5	-46.7	179.8	-175.7	-179.6	178.4	-178.4	0	111.9	R58 Q64	R58-K60 VanDerWaalsContact C-N 3.3Å; R58-K60 PolarHBondContact O-N 3.09Å; R58-K60 VanDerWaalsContact O-N 3.15Å; K60-Q64 WeakPolarHBondContact O-CG 3.48Å; K60-Q64 PolarHBondContact O-N 3.22Å
61	G	98.2	Very high	98	Very high	3 Å²	3	71.3 Å²	71.3	3%	0.031	32%	0.321	C	S	.	.	H	α-helix	trans	-68.7	-38	176.9	0	0	0	0	0	111.8	D56 R58 L59 M63 Q64 R65	D56-G61 WeakPolarHBondContact O-CA 3.5Å; R58-G61 PolarHBondContact O-N 3.3Å; L59-G61 PolarHBondContact O-N 3.41Å; G61-M63 PolarHBondContact O-N 3.42Å; G61-Q64 WeakPolarHBondContact O-CB 3.45Å; G61-Q64 PolarHBondContact O-N 3.37Å; G61-R65 PolarHBondContact O-N 3.43Å; G61-R65 PolarHBondContact O-NH1 2.92Å; G61-R65 VanDerWaalsContact O-NH1 3.08Å
62	A	98.2	Very high	98	Very high	0 Å²	0	75.4 Å²	75.4	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-61.7	-44.7	176.8	0	0	0	0	0	112.4	R58 L59 Q64 R65 G66 H67 H142	R58-A62 PolarHBondContact O-N 3.28Å; L59-A62 PolarHBondContact O-N 3.32Å; A62-Q64 VanDerWaalsContact C-N 3.29Å; A62-Q64 PolarHBondContact O-N 3.32Å; A62-R65 PolarHBondContact O-N 3.14Å; A62-R65 VanDerWaalsContact O-N 3.08Å; A62-G66 PolarHBondContact O-N 3.17Å; A62-H67 HydrophobicContact CB-CB 4.07Å; A62-H67 WeakPolarHBondContact O-CB 3.27Å; A62-H67 PolarHBondContact O-CD2 3.23Å; A62-H67 PolarHBondContact O-N 2.6Å; A62-H67 VanDerWaalsContact O-N 3.08Å; A62-H142 HydrophobicContact CB-CB 3.62Å
63	M	97.9	Very high	98	Very high	98 Å²	98	74 Å²	74	48%	0.483	34%	0.336	S	S	.	.	H	α-helix	trans	-63.3	-34.8	177.1	-69.4	179.2	73.7	0	0	112.6	L59 G61 R65 G66 F187	L59-M63 HydrophobicContact CD1-CG 4.11Å; L59-M63 HydrophobicContact CD1-SD 4.24Å; L59-M63 HydrophobicContact CG-CG 4.38Å; L59-M63 HydrophobicContact CG-SD 4.09Å; L59-M63 WeakPolarHBondContact O-CG 3.45Å; L59-M63 PolarHBondContact O-N 2.94Å; G61-M63 PolarHBondContact O-N 3.42Å; M63-R65 PolarHBondContact O-N 3.08Å; M63-G66 PolarHBondContact O-N 3.22Å; M63-G66 VanDerWaalsContact O-N 3.12Å; M63-F187 HydrophobicContact CE-CZ 4.47Å; M63-F187 HydrophobicContact SD-CE2 4.47Å; M63-F187 HydrophobicContact SD-CZ 4.48Å
64	Q	97.7	Very high	98	Very high	153 Å²	153	73 Å²	73	72%	0.715	32%	0.323	S	S	*	.	H	α-helix	trans	-64.7	-28.5	174.5	-71.9	175.4	-10.3	0	0	112.9	K60 G61 A62 G66	K60-Q64 WeakPolarHBondContact O-CG 3.48Å; K60-Q64 PolarHBondContact O-N 3.22Å; G61-Q64 WeakPolarHBondContact O-CB 3.45Å; G61-Q64 PolarHBondContact O-N 3.37Å; A62-Q64 VanDerWaalsContact C-N 3.29Å; A62-Q64 PolarHBondContact O-N 3.32Å; Q64-G66 VanDerWaalsContact C-N 3.29Å
65	R	97.5	Very high	98	Very high	52 Å²	52	63.1 Å²	63.1	20%	0.196	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	4.2	175.6	-61.8	-174.7	-55.5	-89.8	5.4	113.4	T49 D56 G61 A62 M63 D140	T49-R65 WeakPolarHBondContact OG1-CD 3.31Å; D56-R65 PolarHBondContact O-NH1 2.9Å; G61-R65 PolarHBondContact O-N 3.43Å; G61-R65 PolarHBondContact O-NH1 2.92Å; G61-R65 VanDerWaalsContact O-NH1 3.08Å; A62-R65 PolarHBondContact O-N 3.14Å; A62-R65 VanDerWaalsContact O-N 3.08Å; M63-R65 PolarHBondContact O-N 3.08Å; R65-D140 IonicContact CZ-OD1 3.39Å; R65-D140 IonicContact NE-OD1 3.75Å; R65-D140 IonicContact NH2-OD1 2.73Å; R65-D140 PolarHBondContact NH2-OD1 3.25Å
66	G	97	Very high	98	Very high	27 Å²	27	62.3 Å²	62.3	28%	0.278	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.5	9.6	177.5	0	0	0	0	0	115.2	A62 M63 Q64 Y69	A62-G66 PolarHBondContact O-N 3.17Å; M63-G66 PolarHBondContact O-N 3.22Å; M63-G66 VanDerWaalsContact O-N 3.12Å; Q64-G66 VanDerWaalsContact C-N 3.29Å; G66-Y69 VanDerWaalsContact O-CB 3.27Å; G66-Y69 WeakPolarHBondContact O-CB 3.43Å
67	H	97.6	Very high	98	Very high	5 Å²	5	65.4 Å²	65.4	2%	0.023	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	151.2	168	-55.8	-68.4	0	0	0	110.2	A62 Y69 D140 T143	A62-H67 HydrophobicContact CB-CB 4.07Å; A62-H67 WeakPolarHBondContact O-CB 3.27Å; A62-H67 PolarHBondContact O-CD2 3.23Å; A62-H67 PolarHBondContact O-N 2.6Å; A62-H67 VanDerWaalsContact O-N 3.08Å; H67-Y69 PolarHBondContact O-N 2.76Å; H67-D140 IonicContact CD2-OD1 3.71Å; H67-D140 IonicContact CE1-OD2 3.88Å; H67-D140 IonicContact NE2-OD1 3.17Å; H67-D140 PolarHBondContact NE2-OD1 2.73Å; H67-D140 IonicContact NE2-OD2 2.96Å; H67-D140 PolarHBondContact NE2-OD2 2.87Å; H67-T143 VanDerWaalsContact CE1-CB 3.43Å; H67-T143 WeakPolarHBondContact CE1-CB 3.46Å; H67-T143 PolarHBondContact CE1-OG1 2.67Å; H67-T143 VanDerWaalsContact CE1-OG1 3.32Å; H67-T143 PolarHBondContact ND1-OG1 2.68Å
68	W	98.3	Very high	97.9	Very high	18 Å²	18	63.7 Å²	63.7	7%	0.068	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.1	8.4	-173.7	-55.7	106.4	0	0	0	115	L59 K70 T71 H142 I145 E146 L149 A182 F187 L188	L59-W68 HydrophobicContact CD1-CG 4.49Å; W68-K70 PolarHBondContact O-N 3.26Å; W68-T71 WeakPolarHBondContact CA-OG1 3.31Å; W68-T71 HydrophobicContact CE3-CG2 4.12Å; W68-T71 HydrophobicContact CZ3-CG2 4.27Å; W68-T71 PolarHBondContact O-OG1 2.85Å; W68-H142 AromaticContact NE1-CG 3.71Å; W68-H142 AromaticContact NE1-ND1 3.26Å; W68-H142 PolarHBondContact NE1-ND1 2.88Å; W68-I145 HydrophobicContact CH2-CG2 3.96Å; W68-I145 HydrophobicContact CZ2-CB 4.15Å; W68-I145 HydrophobicContact CZ2-CG2 3.77Å; W68-E146 WeakPolarHBondContact CA-OE1 3.33Å; W68-E146 HydrophobicContact CD2-CB 4.18Å; W68-E146 HydrophobicContact CD2-CG 4.31Å; W68-E146 HydrophobicContact CE3-CB 4.12Å; W68-E146 HydrophobicContact CE3-CG 3.94Å; W68-E146 HydrophobicContact CH2-CB 3.93Å; W68-E146 HydrophobicContact CH2-CG 4.46Å; W68-E146 HydrophobicContact CZ2-CB 3.96Å; W68-E146 HydrophobicContact CZ3-CB 4Å; W68-E146 HydrophobicContact CZ3-CG 4.02Å; W68-E146 VanDerWaalsContact N-CD 3.32Å; W68-E146 PolarHBondContact N-OE1 3.13Å; W68-E146 PolarHBondContact N-OE2 3.38Å; W68-L149 HydrophobicContact CZ3-CD2 3.95Å; W68-A182 HydrophobicContact CZ2-CB 4.15Å; W68-F187 HydrophobicContact CB-CD2 4.46Å; W68-F187 HydrophobicContact CB-CE2 4.08Å; W68-F187 HydrophobicContact CB-CZ 4.16Å; W68-F187 HydrophobicContact CD2-CB 4.3Å; W68-F187 AromaticContact CD2-CD2 3.72Å; W68-F187 HydrophobicContact CD2-CD2 3.72Å; W68-F187 HydrophobicContact CD2-CE2 4.21Å; W68-F187 HydrophobicContact CD2-CG 4Å; W68-F187 AromaticContact CE2-CD2 3.94Å; W68-F187 HydrophobicContact CE3-CB 3.9Å; W68-F187 HydrophobicContact CE3-CD1 4.4Å; W68-F187 HydrophobicContact CE3-CD2 4.11Å; W68-F187 AromaticContact CE3-CG 3.9Å; W68-F187 HydrophobicContact CE3-CG 3.9Å; W68-F187 AromaticContact CG-CD2 3.88Å; W68-F187 HydrophobicContact CG-CD2 3.88Å; W68-F187 AromaticContact CG-CE2 3.86Å; W68-F187 HydrophobicContact CG-CE2 3.86Å; W68-F187 HydrophobicContact CG-CG 4.46Å; W68-F187 HydrophobicContact CG-CZ 4.4Å; W68-F187 HydrophobicContact CH2-CB 3.92Å; W68-F187 HydrophobicContact CZ2-CB 4.32Å; W68-F187 HydrophobicContact CZ2-CD2 4.49Å; W68-F187 HydrophobicContact CZ3-CB 3.71Å; W68-F187 HydrophobicContact CZ3-CG 4.23Å; W68-L188 HydrophobicContact CH2-CD2 4.42Å
69	Y	98.2	Very high	97.8	Very high	134 Å²	134	59.5 Å²	59.5	53%	0.525	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	120.8	177.1	179.1	-110.6	0	0	0	110.5	G66 H67 T71 R262	G66-Y69 VanDerWaalsContact O-CB 3.27Å; G66-Y69 WeakPolarHBondContact O-CB 3.43Å; H67-Y69 PolarHBondContact O-N 2.76Å; Y69-T71 PolarHBondContact O-N 2.77Å; Y69-T71 VanDerWaalsContact O-N 3.12Å; Y69-R262 WeakPolarHBondContact O-CD 3.4Å
70	K	97.7	Very high	97.7	Very high	107 Å²	107	63.2 Å²	63.2	47%	0.465	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.6	27.9	179.2	-65.4	-175.5	173.1	177.6	0	114.8	W68 K72 E73 I74	W68-K70 PolarHBondContact O-N 3.26Å; K70-K72 VanDerWaalsContact C-N 3.26Å; K70-K72 PolarHBondContact O-N 3.47Å; K70-E73 VanDerWaalsContact C-OE2 3.23Å; K70-E73 WeakPolarHBondContact CA-OE2 3.46Å; K70-E73 HydrophobicContact CB-CB 4.42Å; K70-E73 PolarHBondContact O-N 2.96Å; K70-I74 WeakPolarHBondContact O-CG1 3.39Å; K70-I74 PolarHBondContact O-N 3.46Å; K70-I74 VanDerWaalsContact O-N 3.09Å
71	T	98.4	Very high	97.7	Very high	2 Å²	2	59.4 Å²	59.4	1%	0.012	29%	0.286	C	S	.	.	H	α-helix	trans	-63.5	-36.3	178.3	-42	0	0	0	0	111.1	W68 Y69 E73 I74 V75 E146 L149 I150	W68-T71 WeakPolarHBondContact CA-OG1 3.31Å; W68-T71 HydrophobicContact CE3-CG2 4.12Å; W68-T71 HydrophobicContact CZ3-CG2 4.27Å; W68-T71 PolarHBondContact O-OG1 2.85Å; Y69-T71 PolarHBondContact O-N 2.77Å; Y69-T71 VanDerWaalsContact O-N 3.12Å; T71-E73 VanDerWaalsContact C-N 3.34Å; T71-E73 PolarHBondContact O-N 3.22Å; T71-I74 PolarHBondContact O-N 3.21Å; T71-V75 VanDerWaalsContact O-CG2 3.31Å; T71-V75 WeakPolarHBondContact O-CG2 3.35Å; T71-V75 PolarHBondContact O-N 3.41Å; T71-E146 HydrophobicContact CG2-CG 4Å; T71-E146 PolarHBondContact OG1-OE1 3.36Å; T71-L149 HydrophobicContact CG2-CD2 3.94Å; T71-I150 HydrophobicContact CG2-CD1 4.27Å; T71-I150 HydrophobicContact CG2-CG1 4.29Å
72	K	98.2	Very high	97.7	Very high	96 Å²	96	59.2 Å²	59.2	42%	0.417	28%	0.284	S	S	.	.	H	α-helix	trans	-55.6	-49.8	174.4	178.3	178.1	-176.9	169.1	0	111	K70 V75 L76 C193 G194 T195	K70-K72 VanDerWaalsContact C-N 3.26Å; K70-K72 PolarHBondContact O-N 3.47Å; K72-V75 PolarHBondContact O-N 2.98Å; K72-L76 HydrophobicContact CG-CD1 3.95Å; K72-L76 WeakPolarHBondContact O-CB 3.16Å; K72-L76 VanDerWaalsContact O-CG 3.27Å; K72-L76 WeakPolarHBondContact O-CG 3.4Å; K72-L76 PolarHBondContact O-N 3.39Å; K72-C193 HydrophobicContact CB-CB 4.29Å; K72-C193 WeakPolarHBondContact CD-O 3.42Å; K72-C193 WeakPolarHBondContact CG-O 3.46Å; K72-G194 VanDerWaalsContact CE-O 3.24Å; K72-G194 WeakPolarHBondContact CE-O 3.18Å; K72-G194 PolarHBondContact NZ-O 3.43Å; K72-T195 HydrophobicContact CB-CG2 4.15Å; K72-T195 HydrophobicContact CG-CG2 3.72Å
73	E	98.4	Very high	97.7	Very high	95 Å²	95	59.4 Å²	59.4	44%	0.444	29%	0.285	S	S	.	.	H	α-helix	trans	-64.4	-41.1	-179.8	-66	86	157.3	0	0	111.3	K70 T71 L76 K77	K70-E73 VanDerWaalsContact C-OE2 3.23Å; K70-E73 WeakPolarHBondContact CA-OE2 3.46Å; K70-E73 HydrophobicContact CB-CB 4.42Å; K70-E73 PolarHBondContact O-N 2.96Å; T71-E73 VanDerWaalsContact C-N 3.34Å; T71-E73 PolarHBondContact O-N 3.22Å; E73-L76 PolarHBondContact O-N 3.19Å; E73-K77 WeakPolarHBondContact O-CG 3.33Å; E73-K77 PolarHBondContact O-N 3.37Å; E73-K77 VanDerWaalsContact O-N 3.08Å
74	I	98.2	Very high	97.7	Very high	8 Å²	8	59.6 Å²	59.6	4%	0.041	29%	0.285	C	S	.	.	H	α-helix	trans	-59.7	-47.7	174.3	-69.8	165.9	0	0	0	110.8	K70 T71 L76 K77 W81 I82 I150 C261 R262	K70-I74 WeakPolarHBondContact O-CG1 3.39Å; K70-I74 PolarHBondContact O-N 3.46Å; K70-I74 VanDerWaalsContact O-N 3.09Å; T71-I74 PolarHBondContact O-N 3.21Å; I74-L76 VanDerWaalsContact C-N 3.31Å; I74-L76 PolarHBondContact O-N 3.17Å; I74-K77 PolarHBondContact O-N 3.36Å; I74-W81 HydrophobicContact CG2-CZ3 4.12Å; I74-I82 HydrophobicContact CG2-CD1 4.36Å; I74-I82 HydrophobicContact CG2-CG1 4.29Å; I74-I150 HydrophobicContact CD1-CD1 4.3Å; I74-I150 HydrophobicContact CG2-CD1 3.92Å; I74-I150 HydrophobicContact CG2-CG1 4.07Å; I74-I150 HydrophobicContact CG2-CG2 4.38Å; I74-C261 HydrophobicContact CD1-CB 3.94Å; I74-C261 HydrophobicContact CG1-CB 4.31Å; I74-C261 HydrophobicContact CG2-CB 4.01Å; I74-R262 HydrophobicContact CD1-CG 3.7Å
75	V	97.9	Very high	97.8	Very high	2 Å²	2	53.5 Å²	53.5	1%	0.012	26%	0.257	C	S	.	.	H	α-helix	trans	-63.4	-38.1	179.1	170.4	0	0	0	0	111.5	T71 K72 K77 G78 L149 K153 T195 F197	T71-V75 VanDerWaalsContact O-CG2 3.31Å; T71-V75 WeakPolarHBondContact O-CG2 3.35Å; T71-V75 PolarHBondContact O-N 3.41Å; K72-V75 PolarHBondContact O-N 2.98Å; V75-K77 VanDerWaalsContact C-N 3.34Å; V75-K77 PolarHBondContact O-N 3.17Å; V75-G78 PolarHBondContact O-N 2.8Å; V75-L149 HydrophobicContact CG2-CD2 4.3Å; V75-L149 HydrophobicContact CG2-CG 4.25Å; V75-K153 HydrophobicContact CG1-CD 3.99Å; V75-K153 HydrophobicContact CG1-CG 3.99Å; V75-K153 VanDerWaalsContact O-CE 3.23Å; V75-K153 WeakPolarHBondContact O-CE 3.3Å; V75-T195 HydrophobicContact CB-CG2 3.81Å; V75-T195 HydrophobicContact CG1-CG2 3.65Å; V75-F197 HydrophobicContact CG1-CB 4.33Å
76	L	98.1	Very high	97.8	Very high	106 Å²	106	51 Å²	51	56%	0.555	25%	0.247	S	C	*	.	H	α-helix	trans	-71.5	-23.4	179.1	-72.1	174.4	0	0	0	113.8	K72 E73 I74 G78 T195	K72-L76 HydrophobicContact CG-CD1 3.95Å; K72-L76 WeakPolarHBondContact O-CB 3.16Å; K72-L76 VanDerWaalsContact O-CG 3.27Å; K72-L76 WeakPolarHBondContact O-CG 3.4Å; K72-L76 PolarHBondContact O-N 3.39Å; E73-L76 PolarHBondContact O-N 3.19Å; I74-L76 VanDerWaalsContact C-N 3.31Å; I74-L76 PolarHBondContact O-N 3.17Å; L76-G78 PolarHBondContact O-N 2.96Å; L76-T195 HydrophobicContact CG-CG2 4.37Å
77	K	97.7	Very high	97.8	Very high	119 Å²	119	53.5 Å²	53.5	52%	0.517	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-16.3	171.5	-73.1	-177.2	-178.1	-178.1	0	113.4	E73 I74 V75 W81	E73-K77 WeakPolarHBondContact O-CG 3.33Å; E73-K77 PolarHBondContact O-N 3.37Å; E73-K77 VanDerWaalsContact O-N 3.08Å; I74-K77 PolarHBondContact O-N 3.36Å; V75-K77 VanDerWaalsContact C-N 3.34Å; V75-K77 PolarHBondContact O-N 3.17Å; K77-W81 HydrophobicContact CB-CB 4.02Å; K77-W81 HydrophobicContact CB-CD2 3.76Å; K77-W81 HydrophobicContact CB-CE3 3.7Å; K77-W81 HydrophobicContact CB-CG 3.87Å; K77-W81 HydrophobicContact CD-CD2 3.39Å; K77-W81 VanDerWaalsContact CD-CE2 3.43Å; K77-W81 HydrophobicContact CD-CE3 3.55Å; K77-W81 HydrophobicContact CD-CG 4.03Å; K77-W81 HydrophobicContact CD-CH2 3.83Å; K77-W81 HydrophobicContact CD-CZ2 3.66Å; K77-W81 HydrophobicContact CD-CZ3 3.78Å; K77-W81 HydrophobicContact CG-CD2 4.22Å; K77-W81 HydrophobicContact CG-CE3 4.3Å; K77-W81 WeakPolarHBondContact O-CB 3.47Å
78	G	96.1	Very high	97.8	Very high	20 Å²	20	57.9 Å²	57.9	21%	0.206	27%	0.269	C	S	.	.			trans	89.5	171	170.6	0	0	0	0	0	114.8	V75 L76 I82	V75-G78 PolarHBondContact O-N 2.8Å; L76-G78 PolarHBondContact O-N 2.96Å; G78-I82 WeakPolarHBondContact O-CG1 3.43Å; G78-I82 PolarHBondContact O-N 3.3Å
79	S	96.1	Very high	97.8	Very high	27 Å²	27	57 Å²	57	19%	0.189	27%	0.266	C	S	.	.	H	α-helix	trans	-60.3	-48.4	-172.1	-175.7	0	0	0	0	112.7	W81 I82 I83 A154	S79-W81 PolarHBondContact O-N 3.42Å; S79-I82 PolarHBondContact O-N 2.9Å; S79-I83 WeakPolarHBondContact O-CG1 3.34Å; S79-I83 PolarHBondContact O-N 3.01Å; S79-A154 PolarHBondContact OG-O 3.2Å
80	D	96.8	Very high	97.8	Very high	103 Å²	103	51.9 Å²	51.9	55%	0.551	25%	0.254	S	S	*	.	H	α-helix	trans	-64.5	-41.4	-175.4	-62.3	-23.3	0	0	0	111.5	I82 I83 E84 N109	D80-I82 VanDerWaalsContact C-N 3.35Å; D80-I82 PolarHBondContact O-N 3.14Å; D80-I83 PolarHBondContact O-N 2.69Å; D80-E84 WeakPolarHBondContact O-CB 3.45Å; D80-E84 WeakPolarHBondContact O-CG 3.36Å; D80-E84 PolarHBondContact O-N 3.4Å; D80-N109 PolarHBondContact OD1-ND2 2.94Å
81	W	98.2	Very high	97.8	Very high	72 Å²	72	46.9 Å²	46.9	27%	0.273	23%	0.232	S	C	.	.	H	α-helix	trans	-61.1	-43.7	176.8	-177.6	83.2	0	0	0	111.9	I74 K77 S79 E84 E85 C261	I74-W81 HydrophobicContact CG2-CZ3 4.12Å; K77-W81 HydrophobicContact CB-CB 4.02Å; K77-W81 HydrophobicContact CB-CD2 3.76Å; K77-W81 HydrophobicContact CB-CE3 3.7Å; K77-W81 HydrophobicContact CB-CG 3.87Å; K77-W81 HydrophobicContact CD-CD2 3.39Å; K77-W81 VanDerWaalsContact CD-CE2 3.43Å; K77-W81 HydrophobicContact CD-CE3 3.55Å; K77-W81 HydrophobicContact CD-CG 4.03Å; K77-W81 HydrophobicContact CD-CH2 3.83Å; K77-W81 HydrophobicContact CD-CZ2 3.66Å; K77-W81 HydrophobicContact CD-CZ3 3.78Å; K77-W81 HydrophobicContact CG-CD2 4.22Å; K77-W81 HydrophobicContact CG-CE3 4.3Å; K77-W81 WeakPolarHBondContact O-CB 3.47Å; S79-W81 PolarHBondContact O-N 3.42Å; W81-E84 PolarHBondContact O-N 3.23Å; W81-E85 HydrophobicContact CH2-CG 4.1Å; W81-E85 HydrophobicContact CZ2-CG 3.71Å; W81-E85 PolarHBondContact O-N 2.94Å; W81-C261 HydrophobicContact CH2-CB 4.25Å; W81-C261 HydrophobicContact CZ3-CB 4.14Å
82	I	98.3	Very high	97.8	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-65.1	-47.2	178.7	-60.1	165.8	0	0	0	110.2	I74 G78 S79 D80 E84 E85 I86 I150 K153 A154	I74-I82 HydrophobicContact CG2-CD1 4.36Å; I74-I82 HydrophobicContact CG2-CG1 4.29Å; G78-I82 WeakPolarHBondContact O-CG1 3.43Å; G78-I82 PolarHBondContact O-N 3.3Å; S79-I82 PolarHBondContact O-N 2.9Å; D80-I82 VanDerWaalsContact C-N 3.35Å; D80-I82 PolarHBondContact O-N 3.14Å; I82-E84 VanDerWaalsContact C-N 3.33Å; I82-E84 PolarHBondContact O-N 3.47Å; I82-E85 PolarHBondContact O-N 3.08Å; I82-I86 HydrophobicContact CG2-CG1 4.4Å; I82-I86 VanDerWaalsContact O-CG1 3.25Å; I82-I86 WeakPolarHBondContact O-CG1 3.39Å; I82-I86 PolarHBondContact O-N 3.43Å; I82-I150 HydrophobicContact CD1-CG2 4.41Å; I82-I150 HydrophobicContact CG2-CG2 3.78Å; I82-K153 HydrophobicContact CD1-CB 4.17Å; I82-K153 HydrophobicContact CD1-CG 3.85Å; I82-A154 HydrophobicContact CB-CB 3.93Å; I82-A154 HydrophobicContact CG2-CB 3.59Å
83	I	97.9	Very high	97.7	Very high	4 Å²	4	44.9 Å²	44.9	2%	0.021	23%	0.226	C	C	.	.	H	α-helix	trans	-58.6	-46.2	178.4	-70.8	168.7	0	0	0	110.7	S79 D80 I86 K87 N109 A154	S79-I83 WeakPolarHBondContact O-CG1 3.34Å; S79-I83 PolarHBondContact O-N 3.01Å; D80-I83 PolarHBondContact O-N 2.69Å; I83-I86 PolarHBondContact O-N 3.47Å; I83-K87 HydrophobicContact CG2-CD 4.12Å; I83-K87 HydrophobicContact CG2-CG 4.35Å; I83-K87 WeakPolarHBondContact O-CG 3.13Å; I83-K87 PolarHBondContact O-N 2.85Å; I83-N109 HydrophobicContact CD1-CB 4.14Å; I83-A154 VanDerWaalsContact CD1-O 3.27Å; I83-A154 WeakPolarHBondContact CD1-O 3.45Å; I83-A154 HydrophobicContact CG1-CB 4.19Å
84	E	98	Very high	97.6	Very high	102 Å²	102	40.3 Å²	40.3	48%	0.477	21%	0.205	S	C	.	.	H	α-helix	trans	-67.5	-37.9	-178.2	-69.8	-51.9	124.8	0	0	112.2	D80 W81 I82 I86 K87 K88	D80-E84 WeakPolarHBondContact O-CB 3.45Å; D80-E84 WeakPolarHBondContact O-CG 3.36Å; D80-E84 PolarHBondContact O-N 3.4Å; W81-E84 PolarHBondContact O-N 3.23Å; I82-E84 VanDerWaalsContact C-N 3.33Å; I82-E84 PolarHBondContact O-N 3.47Å; E84-I86 VanDerWaalsContact C-N 3.35Å; E84-I86 PolarHBondContact O-N 2.79Å; E84-K87 PolarHBondContact O-N 3.28Å; E84-K87 WeakPolarHBondContact OE1-CD 3.37Å; E84-K87 IonicContact OE1-NZ 2.98Å; E84-K87 PolarHBondContact OE1-NZ 3.24Å; E84-K88 WeakPolarHBondContact O-CB 3.47Å; E84-K88 PolarHBondContact O-N 2.66Å
85	E	98.3	Very high	96.9	Very high	25 Å²	25	41.8 Å²	41.8	12%	0.117	22%	0.222	C	C	.	.	H	α-helix	trans	-64.5	-38.7	172.6	-94.1	-55.9	169.8	0	0	112.7	W81 I82 K88 S89 G265	W81-E85 HydrophobicContact CH2-CG 4.1Å; W81-E85 HydrophobicContact CZ2-CG 3.71Å; W81-E85 PolarHBondContact O-N 2.94Å; I82-E85 PolarHBondContact O-N 3.08Å; E85-K88 PolarHBondContact O-N 3.24Å; E85-K88 IonicContact OE1-NZ 2.98Å; E85-S89 WeakPolarHBondContact O-CB 3.31Å; E85-S89 PolarHBondContact O-N 3.23Å; E85-G265 WeakPolarHBondContact OE2-CA 3.25Å; E85-G265 PolarHBondContact OE2-N 2.7Å
86	I	98.3	Very high	96.1	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-69.4	-37	176.4	-60.8	-68	0	0	0	111.3	I82 I83 E84 S89 L91 W105 I260	I82-I86 HydrophobicContact CG2-CG1 4.4Å; I82-I86 VanDerWaalsContact O-CG1 3.25Å; I82-I86 WeakPolarHBondContact O-CG1 3.39Å; I82-I86 PolarHBondContact O-N 3.43Å; I83-I86 PolarHBondContact O-N 3.47Å; E84-I86 VanDerWaalsContact C-N 3.35Å; E84-I86 PolarHBondContact O-N 2.79Å; I86-S89 PolarHBondContact O-OG 3.33Å; I86-L91 HydrophobicContact CG2-CB 4.42Å; I86-L91 HydrophobicContact CG2-CD2 4.18Å; I86-W105 HydrophobicContact CB-CE3 4.44Å; I86-W105 HydrophobicContact CB-CZ3 4.37Å; I86-W105 HydrophobicContact CD1-CH2 4.4Å; I86-W105 HydrophobicContact CD1-CZ3 4.13Å; I86-W105 HydrophobicContact CG1-CE3 4.12Å; I86-W105 HydrophobicContact CG1-CH2 4.34Å; I86-W105 HydrophobicContact CG1-CZ3 3.63Å; I86-W105 HydrophobicContact CG2-CE3 4.3Å; I86-W105 HydrophobicContact CG2-CZ3 4.28Å; I86-I260 HydrophobicContact CD1-CB 4.15Å; I86-I260 HydrophobicContact CD1-CD1 4.33Å; I86-I260 HydrophobicContact CD1-CG2 3.9Å
87	K	97.8	Very high	95.4	Very high	79 Å²	79	42.7 Å²	42.7	34%	0.343	25%	0.247	S	C	.	.	H	α-helix	trans	-64.1	-46.9	172.2	-75	177.6	-174.4	165.2	0	111.3	I83 E84 S89 G90	I83-K87 HydrophobicContact CG2-CD 4.12Å; I83-K87 HydrophobicContact CG2-CG 4.35Å; I83-K87 WeakPolarHBondContact O-CG 3.13Å; I83-K87 PolarHBondContact O-N 2.85Å; E84-K87 PolarHBondContact O-N 3.28Å; E84-K87 WeakPolarHBondContact OE1-CD 3.37Å; E84-K87 IonicContact OE1-NZ 2.98Å; E84-K87 PolarHBondContact OE1-NZ 3.24Å; K87-S89 VanDerWaalsContact C-N 3.27Å; K87-S89 PolarHBondContact O-N 3.02Å; K87-G90 PolarHBondContact O-N 3.35Å
88	K	97.8	Very high	95.2	Very high	96 Å²	96	37.1 Å²	37.1	42%	0.417	22%	0.224	S	C	.	.	H	α-helix	trans	-58.3	-38.2	178.2	-179.1	178.2	168.5	-164.6	0	112.2	E84 E85 G90 D266	E84-K88 WeakPolarHBondContact O-CB 3.47Å; E84-K88 PolarHBondContact O-N 2.66Å; E85-K88 PolarHBondContact O-N 3.24Å; E85-K88 IonicContact OE1-NZ 2.98Å; K88-G90 PolarHBondContact O-N 2.91Å; K88-G90 VanDerWaalsContact O-N 3.14Å; K88-D266 WeakPolarHBondContact CE-OD1 3.48Å; K88-D266 WeakPolarHBondContact CE-OD2 3.45Å; K88-D266 IonicContact NZ-OD1 2.66Å; K88-D266 IonicContact NZ-OD2 2.84Å; K88-D266 PolarHBondContact NZ-OD2 3.19Å
89	S	97.9	Very high	95.1	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-19.1	175.2	79.9	0	0	0	0	114.8	E85 I86 K87 L91 G265 R277	E85-S89 WeakPolarHBondContact O-CB 3.31Å; E85-S89 PolarHBondContact O-N 3.23Å; I86-S89 PolarHBondContact O-OG 3.33Å; K87-S89 VanDerWaalsContact C-N 3.27Å; K87-S89 PolarHBondContact O-N 3.02Å; S89-L91 PolarHBondContact O-N 2.8Å; S89-L91 WeakPolarHBondContact OG-CB 3.47Å; S89-L91 PolarHBondContact OG-N 3.48Å; S89-G265 WeakPolarHBondContact CA-O 3.44Å; S89-R277 WeakPolarHBondContact O-CB 3.21Å
90	G	97.5	Very high	95.1	Very high	27 Å²	27	42.4 Å²	42.4	28%	0.278	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.2	16.7	-174.1	0	0	0	0	0	114	K87 K88 R92	K87-G90 PolarHBondContact O-N 3.35Å; K88-G90 PolarHBondContact O-N 2.91Å; K88-G90 VanDerWaalsContact O-N 3.14Å; G90-R92 PolarHBondContact O-N 3.26Å
91	L	98.2	Very high	95.2	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.01	22%	0.22	C	C	.	.			trans	-57.5	124.8	179.1	178.8	66.5	0	0	0	111.4	I86 S89 R94 S101 T253 V256 I260 F268	I86-L91 HydrophobicContact CG2-CB 4.42Å; I86-L91 HydrophobicContact CG2-CD2 4.18Å; S89-L91 PolarHBondContact O-N 2.8Å; S89-L91 WeakPolarHBondContact OG-CB 3.47Å; S89-L91 PolarHBondContact OG-N 3.48Å; L91-R94 HydrophobicContact CD1-CG 4.44Å; L91-S101 PolarHBondContact O-N 3.02Å; L91-T253 HydrophobicContact CD2-CG2 3.89Å; L91-T253 HydrophobicContact CG-CG2 4.36Å; L91-V256 HydrophobicContact CD1-CG2 3.98Å; L91-V256 HydrophobicContact CD2-CG2 3.87Å; L91-I260 HydrophobicContact CB-CD1 4.37Å; L91-I260 HydrophobicContact CD1-CD1 4.48Å; L91-I260 HydrophobicContact CD2-CD1 3.95Å; L91-F268 HydrophobicContact CB-CE1 4.06Å; L91-F268 HydrophobicContact CD1-CE1 3.68Å; L91-F268 HydrophobicContact CD1-CZ 3.73Å; L91-F268 HydrophobicContact CG-CE1 4.47Å
92	R	97.8	Very high	95	Very high	41 Å²	41	34.3 Å²	34.3	16%	0.155	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-107.9	148.4	172.4	-71.9	176.2	68.5	177.8	0.7	110.4	G90 R94 G98 F99 R275 N276 F345 D346	G90-R92 PolarHBondContact O-N 3.26Å; R92-R94 WeakPolarHBondContact O-CD 3.37Å; R92-R94 PolarHBondContact O-N 2.94Å; R92-R94 PolarHBondContact O-NH1 3.1Å; R92-G98 PolarHBondContact NE-O 3.46Å; R92-G98 PolarHBondContact NH2-O 3Å; R92-F99 CarbonylContact C-O 3.49Å; R92-R275 WeakPolarHBondContact CD-O 3.42Å; R92-R275 PolarHBondContact NH1-O 3.01Å; R92-N276 PolarHBondContact NH1-OD1 3.49Å; R92-F345 HydrophobicContact CB-CD2 4.37Å; R92-F345 HydrophobicContact CB-CE2 3.79Å; R92-F345 HydrophobicContact CB-CZ 4.34Å; R92-D346 IonicContact CZ-OD1 3.5Å; R92-D346 IonicContact NH1-OD1 2.81Å; R92-D346 PolarHBondContact NH1-OD1 2.96Å; R92-D346 IonicContact NH1-OD2 3.19Å; R92-D346 IonicContact NH2-OD1 3.25Å
93	G	95.6	Very high	95	Very high	14 Å²	14	38.3 Å²	38.3	14%	0.144	23%	0.227	C	C	.	.			trans	-57.3	125.2	-174.4	0	0	0	0	0	112.2	G95 G98 F99 S101	G93-G95 VanDerWaalsContact C-N 3.31Å; G93-G95 PolarHBondContact O-N 3.17Å; G93-G98 WeakPolarHBondContact O-CA 3.47Å; G93-G98 PolarHBondContact O-N 3.22Å; G93-F99 PolarHBondContact N-O 3.25Å; G93-S101 PolarHBondContact N-OG 3.07Å
94	R	96.5	Very high	94.9	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	8.9	-172.7	-58.3	-57.8	-163.2	-124.8	13.9	114.9	L91 R92 K132 E252 T253 R277 T279	L91-R94 HydrophobicContact CD1-CG 4.44Å; R92-R94 WeakPolarHBondContact O-CD 3.37Å; R92-R94 PolarHBondContact O-N 2.94Å; R92-R94 PolarHBondContact O-NH1 3.1Å; R94-K132 PolarHBondContact O-NZ 3.17Å; R94-E252 HydrophobicContact CB-CB 3.82Å; R94-E252 HydrophobicContact CB-CG 3.89Å; R94-E252 WeakPolarHBondContact CB-OE2 3.48Å; R94-E252 HydrophobicContact CG-CB 4.33Å; R94-E252 HydrophobicContact CG-CG 3.95Å; R94-T253 WeakPolarHBondContact CB-OG1 3.4Å; R94-T253 PolarHBondContact N-OG1 3.38Å; R94-R277 PolarHBondContact NH2-O 3.21Å; R94-T279 PolarHBondContact NE-O 2.85Å; R94-T279 PolarHBondContact NH2-O 2.73Å
95	G	84	Confident	94.8	Very high	39 Å²	39	35.6 Å²	35.6	40%	0.402	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-14.3	-179.8	0	0	0	0	0	115.4	G93	G93-G95 VanDerWaalsContact C-N 3.31Å; G93-G95 PolarHBondContact O-N 3.17Å
96	G	82	Confident	94.7	Very high	27 Å²	27	35.5 Å²	35.5	28%	0.278	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	147	-52.5	-178.2	0	0	0	0	0	114	G98 G356	G96-G98 VanDerWaalsContact C-N 3.27Å; G96-G98 PolarHBondContact O-N 3.18Å; G96-G356 WeakPolarHBondContact CA-O 3.48Å
97	A	83.5	Confident	94.5	Very high	99 Å²	99	39.4 Å²	39.4	82%	0.818	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-18.7	-173.4	0	0	0	0	0	114.6	F99	A97-F99 PolarHBondContact O-N 2.89Å; A97-F99 VanDerWaalsContact O-N 3.15Å
98	G	91.8	Very high	94.3	Very high	2 Å²	2	35.8 Å²	35.8	2%	0.021	22%	0.217	C	C	.	.			trans	61.4	24.6	179.5	0	0	0	0	0	114.5	R92 G93 G96 F345	R92-G98 PolarHBondContact NE-O 3.46Å; R92-G98 PolarHBondContact NH2-O 3Å; G93-G98 WeakPolarHBondContact O-CA 3.47Å; G93-G98 PolarHBondContact O-N 3.22Å; G96-G98 VanDerWaalsContact C-N 3.27Å; G96-G98 PolarHBondContact O-N 3.18Å; G98-F345 VanDerWaalsContact CA-CE1 3.47Å
99	F	94.7	Very high	93.8	Very high	92 Å²	92	34.9 Å²	34.9	40%	0.404	22%	0.217	S	C	.	.			trans	-70.5	136.7	-179.8	-170.1	-87.9	0	0	0	111.1	R92 G93 A97 S101 M103 K104 F107	R92-F99 CarbonylContact C-O 3.49Å; G93-F99 PolarHBondContact N-O 3.25Å; A97-F99 PolarHBondContact O-N 2.89Å; A97-F99 VanDerWaalsContact O-N 3.15Å; F99-S101 PolarHBondContact O-N 3.05Å; F99-S101 VanDerWaalsContact O-N 3.1Å; F99-M103 HydrophobicContact CE1-CB 4.21Å; F99-M103 HydrophobicContact CE1-CG 4.35Å; F99-M103 HydrophobicContact CZ-CG 4.42Å; F99-K104 HydrophobicContact CD1-CB 3.76Å; F99-K104 HydrophobicContact CD1-CD 4.47Å; F99-K104 HydrophobicContact CD1-CG 4.26Å; F99-K104 HydrophobicContact CE1-CB 3.81Å; F99-K104 HydrophobicContact CE1-CG 4.36Å; F99-F107 AromaticContact CE1-CE2 3.81Å; F99-F107 HydrophobicContact CE1-CE2 3.81Å; F99-F107 HydrophobicContact CE1-CZ 4.29Å; F99-F107 AromaticContact CZ-CE2 3.67Å; F99-F107 HydrophobicContact CZ-CE2 3.67Å; F99-F107 AromaticContact CZ-CZ 3.86Å; F99-F107 HydrophobicContact CZ-CZ 3.86Å
100	P	97.1	Very high	93.1	Very high	66 Å²	66	40 Å²	40	43%	0.429	24%	0.239	S	C	.	.	B	Isolated β-bridge	trans	-56.1	115.8	178.6	-25.6	35	0	0	0	112.3	M103 K104	P100-M103 HydrophobicContact CB-CB 4.06Å; P100-M103 WeakPolarHBondContact O-CB 3.23Å; P100-M103 PolarHBondContact O-N 3.42Å; P100-K104 PolarHBondContact O-N 2.85Å
101	S	97.3	Very high	92.6	Very high	4 Å²	4	44.6 Å²	44.6	3%	0.028	26%	0.264	C	S	.	.	H	α-helix	trans	-72.5	-39.9	-165.4	-62	0	0	0	0	112.5	L91 G93 F99 M103 K104 W105 T253	L91-S101 PolarHBondContact O-N 3.02Å; G93-S101 PolarHBondContact N-OG 3.07Å; F99-S101 PolarHBondContact O-N 3.05Å; F99-S101 VanDerWaalsContact O-N 3.1Å; S101-M103 VanDerWaalsContact C-N 3.29Å; S101-M103 PolarHBondContact O-N 3.17Å; S101-K104 WeakPolarHBondContact O-CB 3.25Å; S101-K104 PolarHBondContact O-N 3.35Å; S101-K104 VanDerWaalsContact O-N 3.08Å; S101-W105 VanDerWaalsContact O-CD1 3.25Å; S101-W105 VanDerWaalsContact O-CG 3.29Å; S101-W105 PolarHBondContact O-N 3.49Å; S101-T253 WeakPolarHBondContact OG-CG2 3Å
102	G	95.6	Very high	92.1	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.01	29%	0.292	C	S	.	.	H	α-helix	trans	-62.9	-36.2	174.3	0	0	0	0	0	112.6	S106	G102-S106 PolarHBondContact O-N 3.11Å; G102-S106 VanDerWaalsContact O-N 3.12Å
103	M	96.6	Very high	91.8	Very high	84 Å²	84	51.3 Å²	51.3	41%	0.414	31%	0.31	S	S	.	.	H	α-helix	trans	-65.3	-43.8	171.6	-170.6	67.9	-146.6	0	0	110.9	F99 P100 S101 W105 S106 F107	F99-M103 HydrophobicContact CE1-CB 4.21Å; F99-M103 HydrophobicContact CE1-CG 4.35Å; F99-M103 HydrophobicContact CZ-CG 4.42Å; P100-M103 HydrophobicContact CB-CB 4.06Å; P100-M103 WeakPolarHBondContact O-CB 3.23Å; P100-M103 PolarHBondContact O-N 3.42Å; S101-M103 VanDerWaalsContact C-N 3.29Å; S101-M103 PolarHBondContact O-N 3.17Å; M103-W105 VanDerWaalsContact C-N 3.31Å; M103-W105 PolarHBondContact O-N 2.98Å; M103-S106 PolarHBondContact O-N 3.16Å; M103-S106 PolarHBondContact O-OG 3.41Å; M103-F107 HydrophobicContact CE-CD1 4.08Å; M103-F107 HydrophobicContact CE-CE1 3.34Å; M103-F107 HydrophobicContact CE-CZ 3.97Å; M103-F107 HydrophobicContact CG-CE1 4.33Å; M103-F107 HydrophobicContact CG-CZ 4.05Å; M103-F107 PolarHBondContact O-N 3.03Å
104	K	96.2	Very high	91.7	Very high	48 Å²	48	53.9 Å²	53.9	21%	0.209	34%	0.337	C	S	.	.	H	α-helix	trans	-57.5	-46.2	178.2	-163.5	175.3	-175.2	178.5	0	111.6	F99 P100 S101 S106 F107 E215 T247 V248	F99-K104 HydrophobicContact CD1-CB 3.76Å; F99-K104 HydrophobicContact CD1-CD 4.47Å; F99-K104 HydrophobicContact CD1-CG 4.26Å; F99-K104 HydrophobicContact CE1-CB 3.81Å; F99-K104 HydrophobicContact CE1-CG 4.36Å; P100-K104 PolarHBondContact O-N 2.85Å; S101-K104 WeakPolarHBondContact O-CB 3.25Å; S101-K104 PolarHBondContact O-N 3.35Å; S101-K104 VanDerWaalsContact O-N 3.08Å; K104-S106 VanDerWaalsContact C-N 3.3Å; K104-S106 PolarHBondContact O-N 3.08Å; K104-F107 WeakPolarHBondContact O-CB 3.48Å; K104-F107 WeakPolarHBondContact O-CD2 3.38Å; K104-F107 PolarHBondContact O-N 3.46Å; K104-E215 WeakPolarHBondContact CE-OE1 3.38Å; K104-E215 IonicContact NZ-OE1 3.05Å; K104-E215 PolarHBondContact NZ-OE1 3.44Å; K104-T247 HydrophobicContact CD-CG2 4.21Å; K104-T247 HydrophobicContact CG-CG2 4.23Å; K104-V248 WeakPolarHBondContact CE-O 3.41Å; K104-V248 PolarHBondContact NZ-O 2.83Å
105	W	96.9	Very high	91.7	Very high	1 Å²	1	57.7 Å²	57.7	0%	0.004	35%	0.351	C	S	.	.	H	α-helix	trans	-67	-33.9	-178.9	-62.7	-0.2	0	0	0	111.8	I86 S101 M103 F107 M108 A151 A154 M155	I86-W105 HydrophobicContact CB-CE3 4.44Å; I86-W105 HydrophobicContact CB-CZ3 4.37Å; I86-W105 HydrophobicContact CD1-CH2 4.4Å; I86-W105 HydrophobicContact CD1-CZ3 4.13Å; I86-W105 HydrophobicContact CG1-CE3 4.12Å; I86-W105 HydrophobicContact CG1-CH2 4.34Å; I86-W105 HydrophobicContact CG1-CZ3 3.63Å; I86-W105 HydrophobicContact CG2-CE3 4.3Å; I86-W105 HydrophobicContact CG2-CZ3 4.28Å; S101-W105 VanDerWaalsContact O-CD1 3.25Å; S101-W105 VanDerWaalsContact O-CG 3.29Å; S101-W105 PolarHBondContact O-N 3.49Å; M103-W105 VanDerWaalsContact C-N 3.31Å; M103-W105 PolarHBondContact O-N 2.98Å; W105-F107 PolarHBondContact O-N 2.78Å; W105-M108 WeakPolarHBondContact O-CB 3.46Å; W105-M108 PolarHBondContact O-N 2.96Å; W105-M108 VanDerWaalsContact O-N 3.11Å; W105-A151 HydrophobicContact CH2-CB 3.63Å; W105-A151 HydrophobicContact CZ2-CB 3.85Å; W105-A151 HydrophobicContact CZ3-CB 4.05Å; W105-A154 HydrophobicContact CE3-CB 4.05Å; W105-A154 HydrophobicContact CZ3-CB 4.4Å; W105-M155 HydrophobicContact CB-CG 3.82Å; W105-M155 HydrophobicContact CB-SD 3.99Å; W105-M155 HydrophobicContact CD2-CE 4.3Å; W105-M155 HydrophobicContact CG-CE 4.18Å; W105-M155 HydrophobicContact CG-CG 4.17Å; W105-M155 HydrophobicContact CG-SD 3.83Å
106	S	95.5	Very high	92.2	Very high	24 Å²	24	58 Å²	58	17%	0.168	35%	0.346	C	S	.	.	H	α-helix	trans	-62.5	-23	177.1	77.2	0	0	0	0	114.1	G102 M103 K104 M108 N109	G102-S106 PolarHBondContact O-N 3.11Å; G102-S106 VanDerWaalsContact O-N 3.12Å; M103-S106 PolarHBondContact O-N 3.16Å; M103-S106 PolarHBondContact O-OG 3.41Å; K104-S106 VanDerWaalsContact C-N 3.3Å; K104-S106 PolarHBondContact O-N 3.08Å; S106-M108 PolarHBondContact O-N 3.14Å; S106-N109 WeakPolarHBondContact O-CB 3.46Å; S106-N109 PolarHBondContact O-N 3.23Å
107	F	93.9	Very high	92.9	Very high	82 Å²	82	57.8 Å²	57.8	36%	0.36	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-23.3	175.7	-60.8	-38.3	0	0	0	113.4	F99 M103 K104 W105 K110 A237	F99-F107 AromaticContact CE1-CE2 3.81Å; F99-F107 HydrophobicContact CE1-CE2 3.81Å; F99-F107 HydrophobicContact CE1-CZ 4.29Å; F99-F107 AromaticContact CZ-CE2 3.67Å; F99-F107 HydrophobicContact CZ-CE2 3.67Å; F99-F107 AromaticContact CZ-CZ 3.86Å; F99-F107 HydrophobicContact CZ-CZ 3.86Å; M103-F107 HydrophobicContact CE-CD1 4.08Å; M103-F107 HydrophobicContact CE-CE1 3.34Å; M103-F107 HydrophobicContact CE-CZ 3.97Å; M103-F107 HydrophobicContact CG-CE1 4.33Å; M103-F107 HydrophobicContact CG-CZ 4.05Å; M103-F107 PolarHBondContact O-N 3.03Å; K104-F107 WeakPolarHBondContact O-CB 3.48Å; K104-F107 WeakPolarHBondContact O-CD2 3.38Å; K104-F107 PolarHBondContact O-N 3.46Å; W105-F107 PolarHBondContact O-N 2.78Å; F107-K110 WeakPolarHBondContact O-CE 3.4Å; F107-A237 HydrophobicContact CB-CB 3.95Å
108	M	93.3	Very high	93.6	Very high	2 Å²	2	54.8 Å²	54.8	1%	0.01	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-11.2	176.5	-64.9	-69.6	-69.5	0	0	113.1	W105 S106 K110 K117 M155 A237 P245 T247	W105-M108 WeakPolarHBondContact O-CB 3.46Å; W105-M108 PolarHBondContact O-N 2.96Å; W105-M108 VanDerWaalsContact O-N 3.11Å; S106-M108 PolarHBondContact O-N 3.14Å; M108-K110 PolarHBondContact O-N 3.33Å; M108-K117 HydrophobicContact CE-CB 3.85Å; M108-K117 HydrophobicContact CE-CD 4.13Å; M108-K117 HydrophobicContact CE-CG 4.21Å; M108-K117 PolarHBondContact O-NZ 2.91Å; M108-M155 HydrophobicContact CB-CB 3.76Å; M108-M155 HydrophobicContact CB-CG 3.97Å; M108-M155 HydrophobicContact CG-CB 4.1Å; M108-M155 HydrophobicContact CG-CG 4.11Å; M108-M155 HydrophobicContact CG-SD 4.12Å; M108-A237 HydrophobicContact SD-CB 4.14Å; M108-P245 HydrophobicContact CE-CB 3.76Å; M108-P245 WeakPolarHBondContact CE-O 3.49Å; M108-P245 HydrophobicContact SD-CB 4.03Å; M108-T247 WeakPolarHBondContact CG-OG1 3.29Å
109	N	87.7	Confident	93.9	Very high	78 Å²	78	54.7 Å²	54.7	42%	0.417	30%	0.304	S	S	.	.			trans	-79.2	48.5	-178	-159.3	15.4	0	0	0	112.2	D80 I83 S106	D80-N109 PolarHBondContact OD1-ND2 2.94Å; I83-N109 HydrophobicContact CD1-CB 4.14Å; S106-N109 WeakPolarHBondContact O-CB 3.46Å; S106-N109 PolarHBondContact O-N 3.23Å
110	K	82.6	Confident	94.1	Very high	106 Å²	106	50.3 Å²	50.3	46%	0.461	29%	0.285	S	S	.	.	S	Bend	trans	-100	151.2	172.7	-59.6	-179.7	-174.4	-177.9	0	109.4	F107 M108 K117 D238	F107-K110 WeakPolarHBondContact O-CE 3.4Å; M108-K110 PolarHBondContact O-N 3.33Å; K110-K117 PolarHBondContact O-NZ 3.45Å; K110-D238 IonicContact NZ-OD1 2.78Å; K110-D238 PolarHBondContact NZ-OD1 3.22Å
111	P	87.5	Confident	94.2	Very high	124 Å²	124	47.1 Å²	47.1	81%	0.805	27%	0.265	S	S	*	.	P	Polyproline II helix	trans	-51.5	143.8	170.2	-25	34.5	0	0	0	111.1	D113	P111-D113 PolarHBondContact O-N 2.95Å
112	S	88	Confident	94.2	Very high	86 Å²	86	48.2 Å²	48.2	60%	0.601	27%	0.27	S	S	*	.	P	Polyproline II helix	trans	-66.1	134	175.2	-177.6	0	0	0	0	109.8	G114	S112-G114 VanDerWaalsContact C-N 3.34Å; S112-G114 PolarHBondContact OG-N 2.96Å
113	D	92	Very high	94.3	Very high	98 Å²	98	48.2 Å²	48.2	52%	0.524	27%	0.27	S	S	.	.			trans	-98.7	16.2	172.7	62.2	1.7	0	0	0	112.1	P111 R115	P111-D113 PolarHBondContact O-N 2.95Å; D113-R115 VanDerWaalsContact C-N 3.34Å; D113-R115 VanDerWaalsContact OD1-CB 3.3Å; D113-R115 WeakPolarHBondContact OD1-CB 3.5Å; D113-R115 WeakPolarHBondContact OD1-CG 3.47Å; D113-R115 PolarHBondContact OD1-N 2.98Å; D113-R115 VanDerWaalsContact OD1-N 3.1Å; D113-R115 IonicContact OD1-NE 3.03Å; D113-R115 PolarHBondContact OD1-NE 3.03Å; D113-R115 IonicContact OD2-CZ 2.74Å; D113-R115 IonicContact OD2-NE 2.67Å; D113-R115 PolarHBondContact OD2-NE 3.48Å; D113-R115 IonicContact OD2-NH2 2.99Å; D113-R115 PolarHBondContact OD2-NH2 2.93Å
114	G	93.9	Very high	94.4	Very high	69 Å²	69	44.2 Å²	44.2	71%	0.711	25%	0.25	S	S	*	.	S	Bend	trans	92.1	-16.7	-176	0	0	0	0	0	113.8	S112	S112-G114 VanDerWaalsContact C-N 3.34Å; S112-G114 PolarHBondContact OG-N 2.96Å
115	R	94.7	Very high	94.4	Very high	79 Å²	79	42.5 Å²	42.5	30%	0.298	24%	0.243	S	C	.	.	S	Bend	trans	-74.1	137.6	170.9	-62	-180	-69.2	160.3	-0.5	109.7	D113 D238 G243	D113-R115 VanDerWaalsContact C-N 3.34Å; D113-R115 VanDerWaalsContact OD1-CB 3.3Å; D113-R115 WeakPolarHBondContact OD1-CB 3.5Å; D113-R115 WeakPolarHBondContact OD1-CG 3.47Å; D113-R115 PolarHBondContact OD1-N 2.98Å; D113-R115 VanDerWaalsContact OD1-N 3.1Å; D113-R115 IonicContact OD1-NE 3.03Å; D113-R115 PolarHBondContact OD1-NE 3.03Å; D113-R115 IonicContact OD2-CZ 2.74Å; D113-R115 IonicContact OD2-NE 2.67Å; D113-R115 PolarHBondContact OD2-NE 3.48Å; D113-R115 IonicContact OD2-NH2 2.99Å; D113-R115 PolarHBondContact OD2-NH2 2.93Å; R115-D238 PolarHBondContact NH1-O 2.93Å; R115-D238 PolarHBondContact NH2-O 3.05Å; R115-G243 PolarHBondContact NH1-O 3.41Å
116	P	95.4	Very high	94.3	Very high	47 Å²	47	42.8 Å²	42.8	31%	0.305	25%	0.246	S	C	.	.			trans	-61.2	157.4	167.8	28.5	-34.2	0	0	0	109.5	Y118 N158 C244	P116-Y118 HydrophobicContact CB-CE1 4.39Å; P116-Y118 HydrophobicContact CB-CE2 4.45Å; P116-Y118 HydrophobicContact CG-CE2 3.94Å; P116-Y118 VanDerWaalsContact CG-OH 3.29Å; P116-Y118 WeakPolarHBondContact CG-OH 3.47Å; P116-N158 WeakPolarHBondContact CA-OD1 3.42Å; P116-C244 VanDerWaalsContact O-CB 3.26Å; P116-C244 WeakPolarHBondContact O-CB 3.23Å
117	K	97.2	Very high	94.4	Very high	21 Å²	21	42.4 Å²	42.4	9%	0.091	24%	0.242	C	C	.	.			trans	-109.4	143.5	173.9	-61.5	-176.6	-175.9	175.6	0	109.5	M108 K110 M155 A157 N158 P245	M108-K117 HydrophobicContact CE-CB 3.85Å; M108-K117 HydrophobicContact CE-CD 4.13Å; M108-K117 HydrophobicContact CE-CG 4.21Å; M108-K117 PolarHBondContact O-NZ 2.91Å; K110-K117 PolarHBondContact O-NZ 3.45Å; K117-M155 WeakPolarHBondContact CD-O 3.32Å; K117-A157 CarbonylContact O-C 2.95Å; K117-A157 VanDerWaalsContact O-CA 3.24Å; K117-A157 WeakPolarHBondContact O-CA 3.38Å; K117-N158 PolarHBondContact N-OD1 2.98Å; K117-N158 PolarHBondContact O-N 3.06Å; K117-P245 WeakPolarHBondContact CA-O 3.31Å; K117-P245 HydrophobicContact CG-CB 4.16Å; K117-P245 HydrophobicContact CG-CG 4.47Å
118	Y	98	Very high	94.6	Very high	36 Å²	36	40 Å²	40	14%	0.141	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	143.7	-178.5	-61.4	-62.1	0	0	0	112.5	P116 A159 Y161 L241 F242 C244 P245 T246 T247	P116-Y118 HydrophobicContact CB-CE1 4.39Å; P116-Y118 HydrophobicContact CB-CE2 4.45Å; P116-Y118 HydrophobicContact CG-CE2 3.94Å; P116-Y118 VanDerWaalsContact CG-OH 3.29Å; P116-Y118 WeakPolarHBondContact CG-OH 3.47Å; Y118-A159 HydrophobicContact CD1-CB 4.16Å; Y118-A159 HydrophobicContact CE1-CB 4.31Å; Y118-Y161 HydrophobicContact CD1-CD2 4.28Å; Y118-Y161 AromaticContact CD1-CE2 3.65Å; Y118-Y161 HydrophobicContact CD1-CE2 3.65Å; Y118-Y161 AromaticContact CE1-CE2 3.9Å; Y118-Y161 HydrophobicContact CE1-CE2 3.9Å; Y118-Y161 HydrophobicContact CG-CE2 4.22Å; Y118-L241 HydrophobicContact CD2-CB 4.22Å; Y118-L241 HydrophobicContact CD2-CD2 4.16Å; Y118-L241 HydrophobicContact CD2-CG 4.25Å; Y118-L241 HydrophobicContact CG-CD2 4.13Å; Y118-F242 HydrophobicContact CE2-CD2 4.2Å; Y118-C244 HydrophobicContact CD2-CB 3.76Å; Y118-C244 HydrophobicContact CE2-CB 3.71Å; Y118-P245 PolarHBondContact N-O 3.05Å; Y118-T246 VanDerWaalsContact O-CA 3.28Å; Y118-T246 WeakPolarHBondContact O-CA 3.34Å; Y118-T247 PolarHBondContact O-N 2.66Å
119	L	98.3	Very high	94.8	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	132.9	162.8	174	55	0	0	0	107.5	I121 C148 A151 M155 A157 A159 A160 Y161 T249	L119-I121 HydrophobicContact CD1-CD1 4.01Å; L119-I121 HydrophobicContact CD2-CD1 3.93Å; L119-I121 HydrophobicContact CG-CD1 3.79Å; L119-C148 WeakPolarHBondContact CD2-O 3.15Å; L119-A151 HydrophobicContact CD2-CB 3.81Å; L119-M155 HydrophobicContact CD1-CE 3.51Å; L119-M155 HydrophobicContact CD2-CE 4.23Å; L119-M155 HydrophobicContact CG-CE 4.35Å; L119-A157 HydrophobicContact CB-CB 4Å; L119-A159 PolarHBondContact N-O 2.86Å; L119-A160 HydrophobicContact CB-CB 4.12Å; L119-A160 HydrophobicContact CD2-CB 4.21Å; L119-A160 HydrophobicContact CG-CB 4.19Å; L119-A160 CarbonylContact O-C 3.58Å; L119-A160 WeakPolarHBondContact O-CA 3.42Å; L119-Y161 PolarHBondContact O-N 2.63Å; L119-T249 HydrophobicContact CD1-CG2 3.5Å; L119-T249 VanDerWaalsContact CD1-CG2 3.5Å
120	V	98.5	Very high	95.3	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	123.1	172.9	178.1	0	0	0	0	108.7	Y161 L218 L222 L241 T246 T247 V248 T249	V120-Y161 CarbonylContact C-O 3.55Å; V120-Y161 WeakPolarHBondContact CA-O 3.28Å; V120-L218 HydrophobicContact CG1-CD2 3.18Å; V120-L222 HydrophobicContact CG1-CD1 4.3Å; V120-L241 HydrophobicContact CG2-CB 4.46Å; V120-L241 HydrophobicContact CG2-CD2 3.9Å; V120-T246 HydrophobicContact CB-CG2 4.12Å; V120-T246 HydrophobicContact CG2-CG2 3.46Å; V120-T246 VanDerWaalsContact CG2-CG2 3.46Å; V120-T247 PolarHBondContact N-O 3.31Å; V120-V248 HydrophobicContact CB-CG2 4.09Å; V120-V248 HydrophobicContact CG1-CG2 4.33Å; V120-V248 CarbonylContact O-C 3.5Å; V120-V248 VanDerWaalsContact O-CA 3.25Å; V120-V248 WeakPolarHBondContact O-CA 3.4Å; V120-T249 PolarHBondContact O-N 3.39Å
121	I	98.6	Very high	96.1	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	120.3	177	-49.4	-55.9	0	0	0	107.8	L119 A123 L144 C148 Y161 I162 Y163 T249 V251 V254	L119-I121 HydrophobicContact CD1-CD1 4.01Å; L119-I121 HydrophobicContact CD2-CD1 3.93Å; L119-I121 HydrophobicContact CG-CD1 3.79Å; I121-A123 PolarHBondContact O-N 3.47Å; I121-L144 HydrophobicContact CG2-CD1 4.04Å; I121-L144 HydrophobicContact CG2-CD2 4.5Å; I121-C148 VanDerWaalsContact CG1-SG 3.57Å; I121-Y161 PolarHBondContact N-O 2.98Å; I121-I162 HydrophobicContact CB-CB 4.38Å; I121-I162 HydrophobicContact CB-CG1 4.12Å; I121-I162 HydrophobicContact CB-CG2 4.32Å; I121-I162 HydrophobicContact CG1-CG1 3.9Å; I121-I162 HydrophobicContact CG2-CG2 4.49Å; I121-Y163 PolarHBondContact O-N 3.45Å; I121-T249 WeakPolarHBondContact CA-O 3.35Å; I121-T249 HydrophobicContact CD1-CG2 4.1Å; I121-V251 HydrophobicContact CG2-CB 4.41Å; I121-V251 HydrophobicContact CG2-CG2 3.6Å; I121-V254 HydrophobicContact CD1-CB 4.15Å; I121-V254 HydrophobicContact CD1-CG1 3.95Å; I121-V254 HydrophobicContact CD1-CG2 3.71Å
122	N	98.2	Very high	96.6	Very high	27 Å²	27	29.2 Å²	29.2	14%	0.144	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	103.6	170.7	-174.4	-3.8	0	0	0	108.9	D124 G213 L218 V248 T249 N250 V251	N122-D124 PolarHBondContact OD1-N 3.03Å; N122-G213 PolarHBondContact ND2-O 2.84Å; N122-L218 HydrophobicContact CB-CD1 3.75Å; N122-V248 HydrophobicContact CB-CG1 3.86Å; N122-T249 PolarHBondContact N-O 3.3Å; N122-N250 PolarHBondContact O-OD1 2.88Å; N122-V251 PolarHBondContact O-N 3.09Å
123	A	98.3	Very high	97.1	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	26	178.3	0	0	0	0	0	111.5	I121 M137 I162 Y163 I164 R165 V251	I121-A123 PolarHBondContact O-N 3.47Å; A123-M137 HydrophobicContact CB-CE 4.15Å; A123-M137 HydrophobicContact CB-SD 3.61Å; A123-I162 HydrophobicContact CB-CG2 4.03Å; A123-Y163 CarbonylContact C-O 3.47Å; A123-Y163 WeakPolarHBondContact CA-O 3.35Å; A123-Y163 VanDerWaalsContact CB-O 3.23Å; A123-Y163 WeakPolarHBondContact CB-O 3.44Å; A123-Y163 PolarHBondContact N-O 3.32Å; A123-I164 HydrophobicContact CB-CB 4.43Å; A123-R165 PolarHBondContact O-N 3.22Å; A123-R165 VanDerWaalsContact O-N 3.08Å; A123-V251 HydrophobicContact CB-CG2 3.38Å
124	D	97.1	Very high	97.4	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.005	15%	0.148	C	C	.	.			trans	-76.5	-41.4	179	-172.8	71	0	0	0	111.9	N122 G126 Y163 R165 G213	N122-D124 PolarHBondContact OD1-N 3.03Å; D124-G126 PolarHBondContact O-N 3.46Å; D124-G126 VanDerWaalsContact O-N 3.08Å; D124-Y163 HydrophobicContact CB-CD1 4.24Å; D124-Y163 HydrophobicContact CB-CE1 4.31Å; D124-Y163 PolarHBondContact N-O 3.41Å; D124-R165 WeakPolarHBondContact O-CB 3.2Å; D124-R165 WeakPolarHBondContact O-CD 3.17Å; D124-R165 WeakPolarHBondContact O-CG 3.33Å; D124-G213 PolarHBondContact OD2-N 3.5Å
125	E	96.5	Very high	97.6	Very high	12 Å²	12	22.6 Å²	22.6	6%	0.056	12%	0.119	C	C	.	.			trans	43.7	46.9	176.5	-160.9	175.2	-129.2	0	0	113.5	E127 T130 C131 K132 D133 R134 R165 F168	E125-E127 PolarHBondContact O-N 3.41Å; E125-T130 HydrophobicContact CG-CG2 3.76Å; E125-T130 VanDerWaalsContact OE1-CG2 3.29Å; E125-T130 WeakPolarHBondContact OE1-CG2 3.36Å; E125-C131 VanDerWaalsContact OE1-C 3.27Å; E125-C131 WeakPolarHBondContact OE1-CA 3.44Å; E125-C131 PolarHBondContact OE1-N 3.35Å; E125-C131 VanDerWaalsContact OE2-CA 3.31Å; E125-C131 WeakPolarHBondContact OE2-CA 3.41Å; E125-K132 VanDerWaalsContact OE1-CG 3.25Å; E125-K132 WeakPolarHBondContact OE1-CG 3.47Å; E125-K132 PolarHBondContact OE1-N 3.39Å; E125-D133 HydrophobicContact CB-CB 4.3Å; E125-D133 HydrophobicContact CG-CB 4.38Å; E125-D133 WeakPolarHBondContact OE1-CB 3.28Å; E125-D133 PolarHBondContact OE1-N 2.93Å; E125-D133 PolarHBondContact OE2-N 3.36Å; E125-R134 WeakPolarHBondContact OE2-CB 3.24Å; E125-R134 PolarHBondContact OE2-N 3.31Å; E125-R165 PolarHBondContact O-NH1 2.87Å; E125-F168 HydrophobicContact CB-CE2 4.12Å
126	G	95.7	Very high	97.8	Very high	7 Å²	7	18.9 Å²	18.9	7%	0.072	11%	0.105	C	C	.	.			trans	-70.8	-16	176.8	0	0	0	0	0	114.6	D124 P128	D124-G126 PolarHBondContact O-N 3.46Å; D124-G126 VanDerWaalsContact O-N 3.08Å; G126-P128 WeakPolarHBondContact O-CD 3.16Å
127	E	97.7	Very high	97.9	Very high	15 Å²	15	16.7 Å²	16.7	7%	0.07	9%	0.091	C	C	.	.	S	Bend	trans	-67.3	119.5	-170	-177.9	75.1	177.4	0	0	112.2	E125 G129 T130 Y210 G327 S328 S329 T357	E125-E127 PolarHBondContact O-N 3.41Å; E127-G129 PolarHBondContact O-N 2.79Å; E127-T130 WeakPolarHBondContact CB-OG1 3.41Å; E127-T130 WeakPolarHBondContact CG-OG1 3.49Å; E127-T130 WeakPolarHBondContact O-CB 3.5Å; E127-T130 PolarHBondContact O-N 2.83Å; E127-T130 PolarHBondContact O-OG1 2.7Å; E127-T130 VanDerWaalsContact O-OG1 3.09Å; E127-Y210 HydrophobicContact CB-CE2 4.27Å; E127-Y210 WeakPolarHBondContact OE2-CE2 3.38Å; E127-Y210 PolarHBondContact OE2-OH 3.18Å; E127-G327 VanDerWaalsContact OE1-C 3.22Å; E127-S328 PolarHBondContact OE1-N 3.22Å; E127-S329 VanDerWaalsContact OE1-CB 3.22Å; E127-S329 WeakPolarHBondContact OE1-CB 3.36Å; E127-S329 PolarHBondContact OE1-N 2.87Å; E127-S329 PolarHBondContact OE1-OG 2.82Å; E127-T357 HydrophobicContact CB-CG2 4.26Å; E127-T357 HydrophobicContact CG-CG2 4.08Å
128	P	98	Very high	97.9	Very high	32 Å²	32	17.1 Å²	17.1	21%	0.208	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	132.3	176.2	-26	30.2	0	0	0	113.4	G126 T130 S328 L376 F379	G126-P128 WeakPolarHBondContact O-CD 3.16Å; P128-T130 VanDerWaalsContact C-N 3.32Å; P128-S328 WeakPolarHBondContact CD-OG 3.05Å; P128-S328 VanDerWaalsContact CG-OG 3.31Å; P128-S328 WeakPolarHBondContact CG-OG 3.28Å; P128-S328 PolarHBondContact O-N 2.84Å; P128-L376 HydrophobicContact CB-CD2 4.48Å; P128-F379 VanDerWaalsContact CD-CZ 3.43Å; P128-F379 HydrophobicContact CG-CD1 3.84Å; P128-F379 HydrophobicContact CG-CD2 4.11Å; P128-F379 HydrophobicContact CG-CE1 3.6Å; P128-F379 HydrophobicContact CG-CE2 3.86Å; P128-F379 HydrophobicContact CG-CG 4.09Å; P128-F379 HydrophobicContact CG-CZ 3.61Å
129	G	97.4	Very high	97.9	Very high	26 Å²	26	17.2 Å²	17.2	27%	0.268	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.3	-10.6	-174.4	0	0	0	0	0	114.4	E127 N283 A359	E127-G129 PolarHBondContact O-N 2.79Å; G129-N283 VanDerWaalsContact O-CB 3.26Å; G129-N283 WeakPolarHBondContact O-CB 3.37Å; G129-A359 VanDerWaalsContact C-CB 3.41Å; G129-A359 WeakPolarHBondContact O-CB 3.41Å
130	T	98.3	Very high	97.9	Very high	15 Å²	15	17.3 Å²	17.3	9%	0.092	9%	0.094	C	C	.	.			trans	-97.9	126.3	-174.3	-42.8	0	0	0	0	111.6	E125 E127 P128 K132 T357 A359	E125-T130 HydrophobicContact CG-CG2 3.76Å; E125-T130 VanDerWaalsContact OE1-CG2 3.29Å; E125-T130 WeakPolarHBondContact OE1-CG2 3.36Å; E127-T130 WeakPolarHBondContact CB-OG1 3.41Å; E127-T130 WeakPolarHBondContact CG-OG1 3.49Å; E127-T130 WeakPolarHBondContact O-CB 3.5Å; E127-T130 PolarHBondContact O-N 2.83Å; E127-T130 PolarHBondContact O-OG1 2.7Å; E127-T130 VanDerWaalsContact O-OG1 3.09Å; P128-T130 VanDerWaalsContact C-N 3.32Å; T130-K132 HydrophobicContact CG2-CD 4.17Å; T130-K132 HydrophobicContact CG2-CG 3.94Å; T130-T357 HydrophobicContact CG2-CG2 3.93Å; T130-T357 WeakPolarHBondContact CG2-OG1 3.46Å; T130-T357 PolarHBondContact OG1-OG1 3.38Å; T130-A359 WeakPolarHBondContact OG1-CB 3.1Å
131	C	98.1	Very high	97.9	Very high	43 Å²	43	17.3 Å²	17.3	29%	0.291	9%	0.094	S	C	.	.			trans	-145.7	19.1	177.8	57	0	0	0	0	113.8	E125 E135 N283 T293	E125-C131 VanDerWaalsContact OE1-C 3.27Å; E125-C131 WeakPolarHBondContact OE1-CA 3.44Å; E125-C131 PolarHBondContact OE1-N 3.35Å; E125-C131 VanDerWaalsContact OE2-CA 3.31Å; E125-C131 WeakPolarHBondContact OE2-CA 3.41Å; C131-E135 WeakPolarHBondContact O-CG 3.26Å; C131-E135 PolarHBondContact O-N 3.24Å; C131-N283 PolarHBondContact N-ND2 3.14Å; C131-N283 PolarHBondContact SG-OD1 2.71Å; C131-N283 VanDerWaalsContact SG-OD1 3.4Å; C131-T293 PolarHBondContact SG-OG1 2.75Å
132	K	98.2	Very high	97.9	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-75.6	-42.5	-175.5	58.3	-176.3	-175.9	60.3	0	112.3	R94 E125 T130 R134 E135 I136 N250 E252 K280 L281 N283 T293 T357	R94-K132 PolarHBondContact O-NZ 3.17Å; E125-K132 VanDerWaalsContact OE1-CG 3.25Å; E125-K132 WeakPolarHBondContact OE1-CG 3.47Å; E125-K132 PolarHBondContact OE1-N 3.39Å; T130-K132 HydrophobicContact CG2-CD 4.17Å; T130-K132 HydrophobicContact CG2-CG 3.94Å; K132-R134 VanDerWaalsContact C-N 3.3Å; K132-E135 PolarHBondContact O-N 3.15Å; K132-I136 PolarHBondContact O-N 2.77Å; K132-N250 PolarHBondContact NZ-ND2 3.39Å; K132-E252 VanDerWaalsContact CD-OE2 3.27Å; K132-E252 WeakPolarHBondContact CD-OE2 3.37Å; K132-E252 WeakPolarHBondContact CE-OE2 3.38Å; K132-E252 IonicContact NZ-OE2 2.75Å; K132-E252 PolarHBondContact NZ-OE2 3.27Å; K132-K280 VanDerWaalsContact CD-NZ 3.35Å; K132-L281 HydrophobicContact CB-CB 3.67Å; K132-L281 HydrophobicContact CB-CD1 3.95Å; K132-L281 HydrophobicContact CB-CG 4.45Å; K132-L281 HydrophobicContact CD-CB 4.22Å; K132-L281 HydrophobicContact CG-CB 4.5Å; K132-N283 PolarHBondContact N-ND2 2.65Å; K132-N283 PolarHBondContact N-OD1 3Å; K132-T293 HydrophobicContact CB-CG2 4.41Å; K132-T357 WeakPolarHBondContact CD-O 3.31Å; K132-T357 VanDerWaalsContact CE-O 3.25Å; K132-T357 WeakPolarHBondContact CE-O 2.98Å
133	D	98.3	Very high	97.9	Very high	3 Å²	3	16 Å²	16	2%	0.016	9%	0.087	C	C	.	.	H	α-helix	trans	-70.5	-35.8	179.7	-57.6	-47	0	0	0	108.8	E125 E135 I136 M137 N250 V251 E252	E125-D133 HydrophobicContact CB-CB 4.3Å; E125-D133 HydrophobicContact CG-CB 4.38Å; E125-D133 WeakPolarHBondContact OE1-CB 3.28Å; E125-D133 PolarHBondContact OE1-N 2.93Å; E125-D133 PolarHBondContact OE2-N 3.36Å; D133-E135 VanDerWaalsContact C-N 3.32Å; D133-E135 PolarHBondContact O-N 3.36Å; D133-I136 PolarHBondContact O-N 2.73Å; D133-M137 HydrophobicContact CB-CE 4.4Å; D133-M137 WeakPolarHBondContact O-CE 3.32Å; D133-M137 WeakPolarHBondContact O-CG 3.34Å; D133-M137 PolarHBondContact O-N 3.25Å; D133-N250 PolarHBondContact OD1-ND2 2.64Å; D133-N250 PolarHBondContact OD2-ND2 3.28Å; D133-N250 PolarHBondContact OD2-OD1 3.42Å; D133-V251 HydrophobicContact CB-CB 3.91Å; D133-V251 HydrophobicContact CB-CG1 4.18Å; D133-V251 HydrophobicContact CB-CG2 4.24Å; D133-V251 WeakPolarHBondContact OD1-CB 3.22Å; D133-E252 PolarHBondContact OD1-N 3.43Å
134	R	98.4	Very high	97.9	Very high	87 Å²	87	16 Å²	16	33%	0.328	9%	0.087	S	C	.	.	H	α-helix	trans	-55.7	-42.1	168.9	-163.1	-167.3	161.7	-121.7	-12.4	112.8	E125 K132 R138 F168 E171	E125-R134 WeakPolarHBondContact OE2-CB 3.24Å; E125-R134 PolarHBondContact OE2-N 3.31Å; K132-R134 VanDerWaalsContact C-N 3.3Å; R134-R138 VanDerWaalsContact CZ-NH2 3.33Å; R134-R138 VanDerWaalsContact O-CG 3.3Å; R134-R138 WeakPolarHBondContact O-CG 3.48Å; R134-R138 PolarHBondContact O-N 2.81Å; R134-R138 PolarHBondContact O-NE 3.03Å; R134-F168 HydrophobicContact CB-CE1 4.43Å; R134-F168 HydrophobicContact CB-CE2 3.98Å; R134-F168 HydrophobicContact CB-CZ 3.85Å; R134-F168 HydrophobicContact CG-CD1 4.23Å; R134-F168 HydrophobicContact CG-CD2 4.44Å; R134-F168 HydrophobicContact CG-CE1 3.88Å; R134-F168 HydrophobicContact CG-CE2 4.08Å; R134-F168 HydrophobicContact CG-CZ 3.8Å; R134-E171 HydrophobicContact CG-CG 3.82Å; R134-E171 IonicContact CZ-OE1 2.7Å; R134-E171 VanDerWaalsContact CZ-OE1 3.23Å; R134-E171 IonicContact NE-OE1 2.64Å; R134-E171 PolarHBondContact NE-OE1 2.99Å; R134-E171 IonicContact NH2-OE1 3.11Å; R134-E171 PolarHBondContact NH2-OE1 3.36Å
135	E	98.4	Very high	98	Very high	24 Å²	24	16 Å²	16	11%	0.112	9%	0.087	C	C	.	.	H	α-helix	trans	-66.3	-43.9	177.1	-62.6	-54.9	151.4	0	0	111.7	L51 C131 K132 D133 M137 R138 H139 T293	L51-E135 HydrophobicContact CD1-CB 3.52Å; L51-E135 HydrophobicContact CD1-CG 4.16Å; L51-E135 HydrophobicContact CG-CB 4.35Å; C131-E135 WeakPolarHBondContact O-CG 3.26Å; C131-E135 PolarHBondContact O-N 3.24Å; K132-E135 PolarHBondContact O-N 3.15Å; D133-E135 VanDerWaalsContact C-N 3.32Å; D133-E135 PolarHBondContact O-N 3.36Å; E135-M137 PolarHBondContact O-N 2.9Å; E135-R138 VanDerWaalsContact CD-NH1 3.27Å; E135-R138 PolarHBondContact O-N 2.82Å; E135-R138 IonicContact OE1-CZ 2.8Å; E135-R138 IonicContact OE1-NH1 2.93Å; E135-R138 PolarHBondContact OE1-NH1 3.29Å; E135-R138 IonicContact OE1-NH2 2.68Å; E135-R138 PolarHBondContact OE1-NH2 3.33Å; E135-R138 IonicContact OE2-CZ 3.68Å; E135-R138 IonicContact OE2-NE 2.9Å; E135-R138 IonicContact OE2-NH1 2.95Å; E135-R138 PolarHBondContact OE2-NH1 3.37Å; E135-R138 IonicContact OE2-NH2 3.86Å; E135-R138 PolarHBondContact OE2-NH2 3.47Å; E135-H139 WeakPolarHBondContact O-CB 3.45Å; E135-H139 PolarHBondContact O-N 2.99Å; E135-H139 IonicContact OE2-CE1 3.37Å; E135-H139 PolarHBondContact OE2-CE1 2.91Å; E135-H139 IonicContact OE2-ND1 3.59Å; E135-H139 PolarHBondContact OE2-ND1 3.47Å; E135-T293 HydrophobicContact CG-CG2 4.14Å
136	I	98.4	Very high	98.1	Very high	1 Å²	1	15.4 Å²	15.4	1%	0.005	8%	0.084	C	C	.	.	H	α-helix	trans	-58.5	-49.5	177.7	-63.4	168.2	0	0	0	110.5	F48 K132 D133 R138 D140 T143 L144 V251 E252 A255 L281	F48-I136 HydrophobicContact CD1-CD1 4.13Å; F48-I136 HydrophobicContact CD1-CG1 3.83Å; F48-I136 HydrophobicContact CE1-CD1 3.48Å; F48-I136 VanDerWaalsContact CE1-CD1 3.48Å; F48-I136 HydrophobicContact CE1-CG1 3.67Å; F48-I136 HydrophobicContact CE1-CG2 4.41Å; F48-I136 HydrophobicContact CE2-CD1 4.44Å; F48-I136 HydrophobicContact CZ-CD1 3.65Å; F48-I136 HydrophobicContact CZ-CG1 4.28Å; K132-I136 PolarHBondContact O-N 2.77Å; D133-I136 PolarHBondContact O-N 2.73Å; I136-R138 PolarHBondContact O-N 2.73Å; I136-D140 CarbonylContact O-C 3.27Å; I136-D140 WeakPolarHBondContact O-CA 2.83Å; I136-D140 PolarHBondContact O-N 3.36Å; I136-T143 HydrophobicContact CG2-CG2 3.98Å; I136-L144 HydrophobicContact CG2-CB 4.19Å; I136-V251 HydrophobicContact CB-CG1 3.83Å; I136-V251 HydrophobicContact CD1-CG1 3.75Å; I136-V251 HydrophobicContact CG1-CG1 4.4Å; I136-V251 HydrophobicContact CG2-CG1 3.66Å; I136-E252 HydrophobicContact CD1-CB 4.01Å; I136-E252 HydrophobicContact CD1-CG 4.4Å; I136-A255 HydrophobicContact CD1-CB 4.48Å; I136-A255 HydrophobicContact CG2-CB 4.11Å; I136-L281 HydrophobicContact CD1-CD1 3.62Å; I136-L281 HydrophobicContact CG1-CD1 3.88Å
137	M	98.3	Very high	98.2	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-65.4	-35.4	-175.8	-71.1	-175	-75.2	0	0	113.6	A123 D133 E135 L144 I164 F168 E171 M175	A123-M137 HydrophobicContact CB-CE 4.15Å; A123-M137 HydrophobicContact CB-SD 3.61Å; D133-M137 HydrophobicContact CB-CE 4.4Å; D133-M137 WeakPolarHBondContact O-CE 3.32Å; D133-M137 WeakPolarHBondContact O-CG 3.34Å; D133-M137 PolarHBondContact O-N 3.25Å; E135-M137 PolarHBondContact O-N 2.9Å; M137-L144 HydrophobicContact CG-CD2 4.25Å; M137-I164 HydrophobicContact CE-CD1 4.14Å; M137-I164 HydrophobicContact CE-CG1 4.1Å; M137-I164 HydrophobicContact SD-CD1 3.36Å; M137-I164 WeakPolarHBondContact SD-CD1 3.45Å; M137-I164 HydrophobicContact SD-CG1 3.62Å; M137-F168 HydrophobicContact CE-CD2 3.68Å; M137-F168 HydrophobicContact CE-CE2 3.97Å; M137-E171 HydrophobicContact CB-CB 4.24Å; M137-M175 HydrophobicContact CB-CG 3.92Å; M137-M175 HydrophobicContact CB-SD 4.13Å; M137-M175 HydrophobicContact CG-CG 4.18Å; M137-M175 HydrophobicContact CG-SD 4.17Å
138	R	97.9	Very high	98.3	Very high	30 Å²	30	14.3 Å²	14.3	11%	0.113	8%	0.077	C	C	.	.	H	α-helix	trans	-89.6	-33.2	-176.6	76	-177.6	104.5	133.1	8.8	114.2	R134 E135 I136 E171	R134-R138 VanDerWaalsContact CZ-NH2 3.33Å; R134-R138 VanDerWaalsContact O-CG 3.3Å; R134-R138 WeakPolarHBondContact O-CG 3.48Å; R134-R138 PolarHBondContact O-N 2.81Å; R134-R138 PolarHBondContact O-NE 3.03Å; E135-R138 VanDerWaalsContact CD-NH1 3.27Å; E135-R138 PolarHBondContact O-N 2.82Å; E135-R138 IonicContact OE1-CZ 2.8Å; E135-R138 IonicContact OE1-NH1 2.93Å; E135-R138 PolarHBondContact OE1-NH1 3.29Å; E135-R138 IonicContact OE1-NH2 2.68Å; E135-R138 PolarHBondContact OE1-NH2 3.33Å; E135-R138 IonicContact OE2-CZ 3.68Å; E135-R138 IonicContact OE2-NE 2.9Å; E135-R138 IonicContact OE2-NH1 2.95Å; E135-R138 PolarHBondContact OE2-NH1 3.37Å; E135-R138 IonicContact OE2-NH2 3.86Å; E135-R138 PolarHBondContact OE2-NH2 3.47Å; I136-R138 PolarHBondContact O-N 2.73Å; R138-E171 HydrophobicContact CB-CG 4.09Å; R138-E171 IonicContact NE-OE1 2.79Å
139	H	98.2	Very high	98.3	Very high	38 Å²	38	12.8 Å²	12.8	18%	0.176	7%	0.067	C	C	.	.	H	α-helix	trans	-109.1	-20	-171.2	-60.3	146.3	0	0	0	114	N50 L51 G53 W57 E135	N50-H139 PolarHBondContact ND2-O 3.02Å; N50-H139 WeakPolarHBondContact O-CB 3.37Å; L51-H139 PolarHBondContact O-ND1 3.18Å; G53-H139 VanDerWaalsContact CA-CD2 3.41Å; G53-H139 WeakPolarHBondContact CA-CD2 3.32Å; G53-H139 VanDerWaalsContact CA-CG 3.5Å; G53-H139 PolarHBondContact N-ND1 3.42Å; W57-H139 WeakPolarHBondContact CB-O 2.82Å; E135-H139 WeakPolarHBondContact O-CB 3.45Å; E135-H139 PolarHBondContact O-N 2.99Å; E135-H139 IonicContact OE2-CE1 3.37Å; E135-H139 PolarHBondContact OE2-CE1 2.91Å; E135-H139 IonicContact OE2-ND1 3.59Å; E135-H139 PolarHBondContact OE2-ND1 3.47Å
140	D	96.9	Very high	98.3	Very high	2 Å²	2	11.6 Å²	11.6	1%	0.011	5%	0.054	C	C	.	.			trans	-144.6	51.8	178.2	-152.3	7.4	0	0	0	113.5	R65 H67 I136 H142 T143	R65-D140 IonicContact CZ-OD1 3.39Å; R65-D140 IonicContact NE-OD1 3.75Å; R65-D140 IonicContact NH2-OD1 2.73Å; R65-D140 PolarHBondContact NH2-OD1 3.25Å; H67-D140 IonicContact CD2-OD1 3.71Å; H67-D140 IonicContact CE1-OD2 3.88Å; H67-D140 IonicContact NE2-OD1 3.17Å; H67-D140 PolarHBondContact NE2-OD1 2.73Å; H67-D140 IonicContact NE2-OD2 2.96Å; H67-D140 PolarHBondContact NE2-OD2 2.87Å; I136-D140 CarbonylContact O-C 3.27Å; I136-D140 WeakPolarHBondContact O-CA 2.83Å; I136-D140 PolarHBondContact O-N 3.36Å; D140-H142 PolarHBondContact O-N 2.98Å; D140-H142 VanDerWaalsContact O-N 3.16Å; D140-T143 HydrophobicContact CB-CG2 4.09Å; D140-T143 WeakPolarHBondContact O-CG2 3.33Å; D140-T143 PolarHBondContact O-N 3.43Å; D140-T143 VanDerWaalsContact O-N 3.08Å
141	P	98.5	Very high	98.3	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-60.4	-31.6	-171.3	24.7	-35.4	0	0	0	113.5	W57 T143 L144 I145 M175 A178	W57-P141 HydrophobicContact CE3-CG 3.55Å; W57-P141 HydrophobicContact CZ3-CG 4.01Å; P141-T143 VanDerWaalsContact C-N 3.27Å; P141-T143 PolarHBondContact O-N 2.85Å; P141-L144 PolarHBondContact O-N 3.42Å; P141-L144 VanDerWaalsContact O-N 3.14Å; P141-I145 WeakPolarHBondContact O-CG1 3.24Å; P141-I145 PolarHBondContact O-N 3.07Å; P141-M175 HydrophobicContact CB-CE 4.44Å; P141-M175 HydrophobicContact CB-CG 4.38Å; P141-M175 HydrophobicContact CB-SD 3.28Å; P141-M175 WeakPolarHBondContact CB-SD 2.95Å; P141-A178 HydrophobicContact CB-CB 3.7Å; P141-A178 HydrophobicContact CG-CB 3.59Å
142	H	98.7	Very high	98.3	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-64.8	-28	178.9	-77.2	-73.5	0	0	0	113.4	L59 A62 W68 D140 L144 I145 E146 A178 E181	L59-H142 VanDerWaalsContact CA-NE2 3.32Å; L59-H142 WeakPolarHBondContact CA-NE2 3.43Å; L59-H142 PolarHBondContact N-CD2 2.98Å; L59-H142 PolarHBondContact N-NE2 2.66Å; L59-H142 VanDerWaalsContact N-NE2 3.12Å; A62-H142 HydrophobicContact CB-CB 3.62Å; W68-H142 AromaticContact NE1-CG 3.71Å; W68-H142 AromaticContact NE1-ND1 3.26Å; W68-H142 PolarHBondContact NE1-ND1 2.88Å; D140-H142 PolarHBondContact O-N 2.98Å; D140-H142 VanDerWaalsContact O-N 3.16Å; H142-L144 VanDerWaalsContact C-N 3.29Å; H142-L144 PolarHBondContact O-N 2.95Å; H142-I145 PolarHBondContact O-N 2.79Å; H142-E146 VanDerWaalsContact O-CB 3.28Å; H142-E146 WeakPolarHBondContact O-CB 3.36Å; H142-E146 PolarHBondContact O-N 3.44Å; H142-A178 PolarHBondContact CE1-O 3.2Å; H142-E181 IonicContact CE1-OE2 3.8Å; H142-E181 IonicContact NE2-OE2 3.15Å; H142-E181 PolarHBondContact NE2-OE2 2.85Å
143	T	98	Very high	98.3	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-65.8	-35.9	174.8	-157.8	0	0	0	0	111.6	F48 H67 I136 D140 P141 G147 A255	F48-T143 HydrophobicContact CD1-CG2 4.19Å; F48-T143 HydrophobicContact CE1-CG2 4.17Å; H67-T143 VanDerWaalsContact CE1-CB 3.43Å; H67-T143 WeakPolarHBondContact CE1-CB 3.46Å; H67-T143 PolarHBondContact CE1-OG1 2.67Å; H67-T143 VanDerWaalsContact CE1-OG1 3.32Å; H67-T143 PolarHBondContact ND1-OG1 2.68Å; I136-T143 HydrophobicContact CG2-CG2 3.98Å; D140-T143 HydrophobicContact CB-CG2 4.09Å; D140-T143 WeakPolarHBondContact O-CG2 3.33Å; D140-T143 PolarHBondContact O-N 3.43Å; D140-T143 VanDerWaalsContact O-N 3.08Å; P141-T143 VanDerWaalsContact C-N 3.27Å; P141-T143 PolarHBondContact O-N 2.85Å; T143-G147 PolarHBondContact O-N 2.82Å; T143-G147 VanDerWaalsContact O-N 3.11Å; T143-A255 HydrophobicContact CG2-CB 4.03Å; T143-A255 PolarHBondContact OG1-O 2.72Å
144	L	98.6	Very high	98.2	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-71.7	-46.5	174.8	175.3	58.2	0	0	0	111	I121 I136 M137 P141 H142 E146 G147 C148 I162 M175 V251 V254 A255	I121-L144 HydrophobicContact CG2-CD1 4.04Å; I121-L144 HydrophobicContact CG2-CD2 4.5Å; I136-L144 HydrophobicContact CG2-CB 4.19Å; M137-L144 HydrophobicContact CG-CD2 4.25Å; P141-L144 PolarHBondContact O-N 3.42Å; P141-L144 VanDerWaalsContact O-N 3.14Å; H142-L144 VanDerWaalsContact C-N 3.29Å; H142-L144 PolarHBondContact O-N 2.95Å; L144-E146 VanDerWaalsContact C-N 3.34Å; L144-E146 PolarHBondContact O-N 2.96Å; L144-G147 CarbonylContact O-C 3.45Å; L144-G147 WeakPolarHBondContact O-CA 3.38Å; L144-G147 PolarHBondContact O-N 2.9Å; L144-G147 VanDerWaalsContact O-N 3.07Å; L144-C148 PolarHBondContact O-N 2.58Å; L144-C148 PolarHBondContact O-SG 2.7Å; L144-I162 HydrophobicContact CD2-CD1 4.27Å; L144-M175 HydrophobicContact CD2-CE 3.74Å; L144-M175 HydrophobicContact CD2-SD 4.19Å; L144-M175 HydrophobicContact CG-CE 4.32Å; L144-V251 HydrophobicContact CD1-CB 4.42Å; L144-V251 HydrophobicContact CD1-CG1 4.09Å; L144-V251 HydrophobicContact CD1-CG2 4.48Å; L144-V251 HydrophobicContact CD2-CB 4.48Å; L144-V251 HydrophobicContact CD2-CG1 3.9Å; L144-V251 HydrophobicContact CD2-CG2 3.97Å; L144-V251 HydrophobicContact CG-CG1 4.46Å; L144-V254 HydrophobicContact CD1-CB 4.2Å; L144-V254 HydrophobicContact CD1-CG1 4.12Å; L144-A255 HydrophobicContact CB-CB 4.33Å; L144-A255 HydrophobicContact CD1-CB 4.35Å
145	I	98.7	Very high	98.1	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-62.5	-42.8	-178.1	-62.6	162.6	0	0	0	111.1	W68 P141 H142 G147 C148 L149 M175 A178 I179 A182 L188	W68-I145 HydrophobicContact CH2-CG2 3.96Å; W68-I145 HydrophobicContact CZ2-CB 4.15Å; W68-I145 HydrophobicContact CZ2-CG2 3.77Å; P141-I145 WeakPolarHBondContact O-CG1 3.24Å; P141-I145 PolarHBondContact O-N 3.07Å; H142-I145 PolarHBondContact O-N 2.79Å; I145-G147 VanDerWaalsContact C-N 3.31Å; I145-G147 PolarHBondContact O-N 3.38Å; I145-C148 WeakPolarHBondContact O-CB 3.34Å; I145-C148 PolarHBondContact O-N 3.25Å; I145-L149 PolarHBondContact O-N 3.41Å; I145-M175 HydrophobicContact CD1-CE 4.26Å; I145-M175 HydrophobicContact CG1-CE 3.86Å; I145-A178 HydrophobicContact CD1-CB 3.56Å; I145-I179 HydrophobicContact CD1-CG1 3.74Å; I145-I179 HydrophobicContact CG1-CG1 4.01Å; I145-A182 HydrophobicContact CG2-CB 4.19Å; I145-L188 HydrophobicContact CG2-CD1 3.69Å; I145-L188 HydrophobicContact CG2-CD2 4.27Å; I145-L188 HydrophobicContact CG2-CG 4.28Å
146	E	98.7	Very high	98	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-61.8	-41.9	172.7	-175.9	179	-156.4	0	0	111.3	W68 T71 H142 L144 C148 L149 I150 P258 R262	W68-E146 WeakPolarHBondContact CA-OE1 3.33Å; W68-E146 HydrophobicContact CD2-CB 4.18Å; W68-E146 HydrophobicContact CD2-CG 4.31Å; W68-E146 HydrophobicContact CE3-CB 4.12Å; W68-E146 HydrophobicContact CE3-CG 3.94Å; W68-E146 HydrophobicContact CH2-CB 3.93Å; W68-E146 HydrophobicContact CH2-CG 4.46Å; W68-E146 HydrophobicContact CZ2-CB 3.96Å; W68-E146 HydrophobicContact CZ3-CB 4Å; W68-E146 HydrophobicContact CZ3-CG 4.02Å; W68-E146 VanDerWaalsContact N-CD 3.32Å; W68-E146 PolarHBondContact N-OE1 3.13Å; W68-E146 PolarHBondContact N-OE2 3.38Å; T71-E146 HydrophobicContact CG2-CG 4Å; T71-E146 PolarHBondContact OG1-OE1 3.36Å; H142-E146 VanDerWaalsContact O-CB 3.28Å; H142-E146 WeakPolarHBondContact O-CB 3.36Å; H142-E146 PolarHBondContact O-N 3.44Å; L144-E146 VanDerWaalsContact C-N 3.34Å; L144-E146 PolarHBondContact O-N 2.96Å; E146-C148 VanDerWaalsContact C-N 3.31Å; E146-C148 PolarHBondContact O-N 3.45Å; E146-L149 PolarHBondContact O-N 3.35Å; E146-I150 HydrophobicContact CG-CD1 4.24Å; E146-I150 PolarHBondContact O-N 2.65Å; E146-P258 HydrophobicContact CB-CG 4.05Å; E146-P258 HydrophobicContact CG-CB 3.84Å; E146-P258 HydrophobicContact CG-CG 3.77Å; E146-P258 WeakPolarHBondContact OE2-CB 3.36Å; E146-R262 IonicContact OE1-CZ 3.3Å; E146-R262 IonicContact OE1-NH1 3.77Å; E146-R262 PolarHBondContact OE1-NH1 3.02Å; E146-R262 IonicContact OE2-CZ 3.5Å; E146-R262 IonicContact OE2-NH1 3.67Å; E146-R262 PolarHBondContact OE2-NH1 2.98Å; E146-R262 IonicContact OE2-NH2 3.65Å; E146-R262 PolarHBondContact OE2-NH2 2.94Å
147	G	98.6	Very high	97.9	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-57.5	-41.5	172.9	0	0	0	0	0	112.8	T143 L144 I145 L149 I150 A151 V254 P258	T143-G147 PolarHBondContact O-N 2.82Å; T143-G147 VanDerWaalsContact O-N 3.11Å; L144-G147 CarbonylContact O-C 3.45Å; L144-G147 WeakPolarHBondContact O-CA 3.38Å; L144-G147 PolarHBondContact O-N 2.9Å; L144-G147 VanDerWaalsContact O-N 3.07Å; I145-G147 VanDerWaalsContact C-N 3.31Å; I145-G147 PolarHBondContact O-N 3.38Å; G147-L149 VanDerWaalsContact C-N 3.32Å; G147-L149 PolarHBondContact O-N 3.16Å; G147-I150 PolarHBondContact O-N 2.85Å; G147-A151 WeakPolarHBondContact O-CB 3.34Å; G147-A151 PolarHBondContact O-N 3.43Å; G147-V254 WeakPolarHBondContact CA-O 3.11Å; G147-V254 WeakPolarHBondContact O-CG1 3.35Å; G147-P258 VanDerWaalsContact CA-CG 3.46Å; G147-P258 VanDerWaalsContact N-CG 3.33Å
148	C	98.7	Very high	97.5	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-58.4	-44.6	175.5	-67	0	0	0	0	111.2	L119 I121 L144 I145 E146 G152 A160 F199 V201	L119-C148 WeakPolarHBondContact CD2-O 3.15Å; I121-C148 VanDerWaalsContact CG1-SG 3.57Å; L144-C148 PolarHBondContact O-N 2.58Å; L144-C148 PolarHBondContact O-SG 2.7Å; I145-C148 WeakPolarHBondContact O-CB 3.34Å; I145-C148 PolarHBondContact O-N 3.25Å; E146-C148 VanDerWaalsContact C-N 3.31Å; E146-C148 PolarHBondContact O-N 3.45Å; C148-G152 WeakPolarHBondContact O-CA 2.95Å; C148-G152 PolarHBondContact O-N 3.02Å; C148-A160 HydrophobicContact CB-CB 3.94Å; C148-F199 HydrophobicContact CB-CE1 4.07Å; C148-F199 HydrophobicContact CB-CZ 4.35Å; C148-F199 WeakPolarHBondContact O-CE1 3.41Å; C148-F199 WeakPolarHBondContact O-CZ 3.36Å; C148-V201 HydrophobicContact CB-CG2 4.31Å
149	L	98.6	Very high	97.5	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-63.6	-47.1	178.4	177.6	64.1	0	0	0	111.8	W68 T71 V75 I145 E146 G147 G152 K153 L188 A192 F197 F199	W68-L149 HydrophobicContact CZ3-CD2 3.95Å; T71-L149 HydrophobicContact CG2-CD2 3.94Å; V75-L149 HydrophobicContact CG2-CD2 4.3Å; V75-L149 HydrophobicContact CG2-CG 4.25Å; I145-L149 PolarHBondContact O-N 3.41Å; E146-L149 PolarHBondContact O-N 3.35Å; G147-L149 VanDerWaalsContact C-N 3.32Å; G147-L149 PolarHBondContact O-N 3.16Å; L149-G152 PolarHBondContact O-N 3.33Å; L149-K153 WeakPolarHBondContact O-CB 3.44Å; L149-K153 PolarHBondContact O-N 2.84Å; L149-L188 HydrophobicContact CB-CD2 4.46Å; L149-A192 HydrophobicContact CD1-CB 3.75Å; L149-A192 HydrophobicContact CD2-CB 4.45Å; L149-F197 HydrophobicContact CD1-CD1 3.96Å; L149-F197 HydrophobicContact CD1-CE1 4.08Å; L149-F199 HydrophobicContact CB-CD1 4.22Å; L149-F199 HydrophobicContact CB-CE1 4.34Å; L149-F199 HydrophobicContact CD1-CB 3.74Å; L149-F199 HydrophobicContact CD1-CD1 3.69Å; L149-F199 HydrophobicContact CD1-CG 3.84Å
150	I	98.3	Very high	97.5	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-67.4	-48.7	-178	-71.8	175.8	0	0	0	111.1	T71 I74 I82 E146 G147 G152 K153 A154 P258	T71-I150 HydrophobicContact CG2-CD1 4.27Å; T71-I150 HydrophobicContact CG2-CG1 4.29Å; I74-I150 HydrophobicContact CD1-CD1 4.3Å; I74-I150 HydrophobicContact CG2-CD1 3.92Å; I74-I150 HydrophobicContact CG2-CG1 4.07Å; I74-I150 HydrophobicContact CG2-CG2 4.38Å; I82-I150 HydrophobicContact CD1-CG2 4.41Å; I82-I150 HydrophobicContact CG2-CG2 3.78Å; E146-I150 HydrophobicContact CG-CD1 4.24Å; E146-I150 PolarHBondContact O-N 2.65Å; G147-I150 PolarHBondContact O-N 2.85Å; I150-G152 VanDerWaalsContact C-N 3.31Å; I150-G152 PolarHBondContact O-N 3.25Å; I150-K153 PolarHBondContact O-N 3.34Å; I150-A154 WeakPolarHBondContact O-CB 3.45Å; I150-A154 PolarHBondContact O-N 2.84Å; I150-P258 HydrophobicContact CD1-CB 3.64Å; I150-P258 HydrophobicContact CD1-CG 3.95Å
151	A	98.1	Very high	97.6	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-63.7	-39.2	175.9	0	0	0	0	0	111.2	W105 L119 G147 A154 M155 V254	W105-A151 HydrophobicContact CH2-CB 3.63Å; W105-A151 HydrophobicContact CZ2-CB 3.85Å; W105-A151 HydrophobicContact CZ3-CB 4.05Å; L119-A151 HydrophobicContact CD2-CB 3.81Å; G147-A151 WeakPolarHBondContact O-CB 3.34Å; G147-A151 PolarHBondContact O-N 3.43Å; A151-A154 WeakPolarHBondContact O-CB 3.25Å; A151-A154 PolarHBondContact O-N 3.37Å; A151-M155 HydrophobicContact CB-CE 3.79Å; A151-M155 WeakPolarHBondContact O-CE 3.42Å; A151-M155 PolarHBondContact O-N 3.27Å; A151-V254 HydrophobicContact CB-CG1 4.25Å
152	G	97.8	Very high	97.6	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-60.5	-46.8	175.3	0	0	0	0	0	112	C148 L149 I150 A154 M155 G156 A157	C148-G152 WeakPolarHBondContact O-CA 2.95Å; C148-G152 PolarHBondContact O-N 3.02Å; L149-G152 PolarHBondContact O-N 3.33Å; I150-G152 VanDerWaalsContact C-N 3.31Å; I150-G152 PolarHBondContact O-N 3.25Å; G152-A154 VanDerWaalsContact C-N 3.34Å; G152-A154 PolarHBondContact O-N 2.99Å; G152-M155 PolarHBondContact O-N 3.31Å; G152-G156 PolarHBondContact O-N 2.82Å; G152-A157 PolarHBondContact O-N 2.96Å
153	K	97.5	Very high	97.6	Very high	54 Å²	54	10.3 Å²	10.3	24%	0.235	6%	0.058	C	C	.	.	H	α-helix	trans	-60.1	-43	173.5	179.2	61.1	175.2	-179.4	0	112.2	V75 I82 L149 I150 M155 G156 F197	V75-K153 HydrophobicContact CG1-CD 3.99Å; V75-K153 HydrophobicContact CG1-CG 3.99Å; V75-K153 VanDerWaalsContact O-CE 3.23Å; V75-K153 WeakPolarHBondContact O-CE 3.3Å; I82-K153 HydrophobicContact CD1-CB 4.17Å; I82-K153 HydrophobicContact CD1-CG 3.85Å; L149-K153 WeakPolarHBondContact O-CB 3.44Å; L149-K153 PolarHBondContact O-N 2.84Å; I150-K153 PolarHBondContact O-N 3.34Å; K153-M155 VanDerWaalsContact C-N 3.25Å; K153-M155 PolarHBondContact O-N 3.46Å; K153-G156 PolarHBondContact O-N 2.78Å; K153-F197 HydrophobicContact CB-CD1 4.34Å; K153-F197 HydrophobicContact CB-CE1 3.89Å; K153-F197 HydrophobicContact CB-CZ 4.35Å; K153-F197 HydrophobicContact CD-CD1 4.06Å; K153-F197 HydrophobicContact CD-CD2 4.18Å; K153-F197 HydrophobicContact CD-CE1 4.13Å; K153-F197 HydrophobicContact CD-CE2 4.26Å; K153-F197 HydrophobicContact CD-CG 4.08Å; K153-F197 HydrophobicContact CD-CZ 4.23Å
154	A	97.3	Very high	97.6	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-65.1	-25.7	179	0	0	0	0	0	113.7	S79 I82 I83 W105 I150 A151 G152	S79-A154 PolarHBondContact OG-O 3.2Å; I82-A154 HydrophobicContact CB-CB 3.93Å; I82-A154 HydrophobicContact CG2-CB 3.59Å; I83-A154 VanDerWaalsContact CD1-O 3.27Å; I83-A154 WeakPolarHBondContact CD1-O 3.45Å; I83-A154 HydrophobicContact CG1-CB 4.19Å; W105-A154 HydrophobicContact CE3-CB 4.05Å; W105-A154 HydrophobicContact CZ3-CB 4.4Å; I150-A154 WeakPolarHBondContact O-CB 3.45Å; I150-A154 PolarHBondContact O-N 2.84Å; A151-A154 WeakPolarHBondContact O-CB 3.25Å; A151-A154 PolarHBondContact O-N 3.37Å; G152-A154 VanDerWaalsContact C-N 3.34Å; G152-A154 PolarHBondContact O-N 2.99Å
155	M	96.4	Very high	97.6	Very high	2 Å²	2	13 Å²	13	1%	0.01	7%	0.068	C	C	.	.	H	α-helix	trans	-105.6	0.4	-179.7	-69.4	179.7	-81	0	0	112.9	W105 M108 K117 L119 A151 G152 K153 A157 T247	W105-M155 HydrophobicContact CB-CG 3.82Å; W105-M155 HydrophobicContact CB-SD 3.99Å; W105-M155 HydrophobicContact CD2-CE 4.3Å; W105-M155 HydrophobicContact CG-CE 4.18Å; W105-M155 HydrophobicContact CG-CG 4.17Å; W105-M155 HydrophobicContact CG-SD 3.83Å; M108-M155 HydrophobicContact CB-CB 3.76Å; M108-M155 HydrophobicContact CB-CG 3.97Å; M108-M155 HydrophobicContact CG-CB 4.1Å; M108-M155 HydrophobicContact CG-CG 4.11Å; M108-M155 HydrophobicContact CG-SD 4.12Å; K117-M155 WeakPolarHBondContact CD-O 3.32Å; L119-M155 HydrophobicContact CD1-CE 3.51Å; L119-M155 HydrophobicContact CD2-CE 4.23Å; L119-M155 HydrophobicContact CG-CE 4.35Å; A151-M155 HydrophobicContact CB-CE 3.79Å; A151-M155 WeakPolarHBondContact O-CE 3.42Å; A151-M155 PolarHBondContact O-N 3.27Å; G152-M155 PolarHBondContact O-N 3.31Å; K153-M155 VanDerWaalsContact C-N 3.25Å; K153-M155 PolarHBondContact O-N 3.46Å; M155-A157 PolarHBondContact O-N 2.81Å; M155-T247 VanDerWaalsContact SD-CB 3.5Å; M155-T247 HydrophobicContact SD-CG2 3.69Å
156	G	95.4	Very high	97.5	Very high	33 Å²	33	13.3 Å²	13.3	34%	0.34	7%	0.072	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.2	27.5	-172.4	0	0	0	0	0	113.3	G152 K153	G152-G156 PolarHBondContact O-N 2.82Å; K153-G156 PolarHBondContact O-N 2.78Å
157	A	96	Very high	97.4	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.094	C	C	.	.			trans	-73.1	136.2	178.8	0	0	0	0	0	111	K117 L119 G152 M155 F197 F199	K117-A157 CarbonylContact O-C 2.95Å; K117-A157 VanDerWaalsContact O-CA 3.24Å; K117-A157 WeakPolarHBondContact O-CA 3.38Å; L119-A157 HydrophobicContact CB-CB 4Å; G152-A157 PolarHBondContact O-N 2.96Å; M155-A157 PolarHBondContact O-N 2.81Å; A157-F197 VanDerWaalsContact O-CZ 3.28Å; A157-F197 WeakPolarHBondContact O-CZ 3.44Å; A157-F199 HydrophobicContact CB-CE2 4.3Å; A157-F199 VanDerWaalsContact O-CD2 3.32Å; A157-F199 WeakPolarHBondContact O-CD2 3.47Å
158	N	91.1	Very high	97.4	Very high	80 Å²	80	19.1 Å²	19.1	43%	0.428	10%	0.099	S	C	.	.	S	Bend	trans	-81.8	-27.7	177.3	-62.2	93.3	0	0	0	112.2	P116 K117 F199 D200	P116-N158 WeakPolarHBondContact CA-OD1 3.42Å; K117-N158 PolarHBondContact N-OD1 2.98Å; K117-N158 PolarHBondContact O-N 3.06Å; N158-F199 WeakPolarHBondContact O-CA 3.39Å; N158-D200 PolarHBondContact O-N 3.09Å
159	A	97.7	Very high	97.4	Very high	6 Å²	6	25.8 Å²	25.8	5%	0.05	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	152.7	178.4	0	0	0	0	0	111.5	Y118 L119 Y161 D200 Y202	Y118-A159 HydrophobicContact CD1-CB 4.16Å; Y118-A159 HydrophobicContact CE1-CB 4.31Å; L119-A159 PolarHBondContact N-O 2.86Å; A159-Y161 HydrophobicContact CB-CE2 4.37Å; A159-D200 CarbonylContact C-O 3.26Å; A159-D200 WeakPolarHBondContact CA-O 3.43Å; A159-D200 HydrophobicContact CB-CB 4.37Å; A159-Y202 HydrophobicContact CB-CD2 4.02Å; A159-Y202 HydrophobicContact CB-CE2 3.7Å
160	A	98.6	Very high	97.3	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	135.1	163.9	0	0	0	0	0	111.2	L119 C148 F199 D200 V201 Y202	L119-A160 HydrophobicContact CB-CB 4.12Å; L119-A160 HydrophobicContact CD2-CB 4.21Å; L119-A160 HydrophobicContact CG-CB 4.19Å; L119-A160 CarbonylContact O-C 3.58Å; L119-A160 WeakPolarHBondContact O-CA 3.42Å; C148-A160 HydrophobicContact CB-CB 3.94Å; A160-F199 HydrophobicContact CB-CE1 4.1Å; A160-F199 HydrophobicContact CB-CE2 4.5Å; A160-F199 HydrophobicContact CB-CZ 3.59Å; A160-D200 PolarHBondContact N-O 3.26Å; A160-V201 HydrophobicContact CB-CG2 4.34Å; A160-V201 CarbonylContact O-C 3.4Å; A160-V201 WeakPolarHBondContact O-CA 3.3Å; A160-Y202 PolarHBondContact O-N 3.32Å
161	Y	98.6	Very high	97.3	Very high	39 Å²	39	31.5 Å²	31.5	15%	0.153	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	118.1	166.3	-66.7	-94.6	0	0	0	109.6	Y118 L119 V120 I121 A159 Y202 L222 L241	Y118-Y161 HydrophobicContact CD1-CD2 4.28Å; Y118-Y161 AromaticContact CD1-CE2 3.65Å; Y118-Y161 HydrophobicContact CD1-CE2 3.65Å; Y118-Y161 AromaticContact CE1-CE2 3.9Å; Y118-Y161 HydrophobicContact CE1-CE2 3.9Å; Y118-Y161 HydrophobicContact CG-CE2 4.22Å; L119-Y161 PolarHBondContact O-N 2.63Å; V120-Y161 CarbonylContact C-O 3.55Å; V120-Y161 WeakPolarHBondContact CA-O 3.28Å; I121-Y161 PolarHBondContact N-O 2.98Å; A159-Y161 HydrophobicContact CB-CE2 4.37Å; Y161-Y202 CarbonylContact C-O 3.6Å; Y161-Y202 WeakPolarHBondContact CA-O 3.32Å; Y161-Y202 HydrophobicContact CD1-CD2 4.14Å; Y161-Y202 HydrophobicContact CD1-CG 4.25Å; Y161-Y202 AromaticContact CE1-CD2 3.67Å; Y161-Y202 HydrophobicContact CE1-CD2 3.67Å; Y161-Y202 AromaticContact CE1-CG 3.92Å; Y161-Y202 HydrophobicContact CE1-CG 3.92Å; Y161-Y202 HydrophobicContact CE2-CD2 4.25Å; Y161-Y202 AromaticContact CZ-CD2 3.73Å; Y161-L222 HydrophobicContact CD1-CD1 4.39Å; Y161-L222 HydrophobicContact CD1-CD2 3.88Å; Y161-L222 HydrophobicContact CE1-CD2 4.29Å; Y161-L222 HydrophobicContact CG-CD1 4.17Å; Y161-L222 HydrophobicContact CG-CD2 4.15Å; Y161-L241 HydrophobicContact CD2-CD2 3.46Å; Y161-L241 VanDerWaalsContact CD2-CD2 3.46Å; Y161-L241 HydrophobicContact CE2-CD2 3.64Å; Y161-L241 HydrophobicContact CG-CD2 4.08Å
162	I	98.7	Very high	97.4	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	107.9	172.8	-54.6	-177.9	0	0	0	107.8	I121 A123 L144 I164 M175 I179 V201 Y202 M203 H204	I121-I162 HydrophobicContact CB-CB 4.38Å; I121-I162 HydrophobicContact CB-CG1 4.12Å; I121-I162 HydrophobicContact CB-CG2 4.32Å; I121-I162 HydrophobicContact CG1-CG1 3.9Å; I121-I162 HydrophobicContact CG2-CG2 4.49Å; A123-I162 HydrophobicContact CB-CG2 4.03Å; L144-I162 HydrophobicContact CD2-CD1 4.27Å; I162-I164 PolarHBondContact O-N 2.99Å; I162-M175 HydrophobicContact CD1-CE 3.54Å; I162-I179 HydrophobicContact CD1-CD1 4.43Å; I162-V201 HydrophobicContact CD1-CG1 3.78Å; I162-V201 HydrophobicContact CG1-CG1 4.05Å; I162-Y202 PolarHBondContact N-O 3.42Å; I162-M203 HydrophobicContact CB-CE 3.77Å; I162-M203 HydrophobicContact CB-SD 3.85Å; I162-M203 HydrophobicContact CD1-CE 3.93Å; I162-M203 HydrophobicContact CG1-CE 4.35Å; I162-M203 HydrophobicContact CG2-CE 3.86Å; I162-M203 HydrophobicContact CG2-SD 3.79Å; I162-H204 PolarHBondContact O-N 3.32Å; I162-H204 VanDerWaalsContact O-O 3.13Å
163	Y	98.6	Very high	97.4	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.008	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	97.8	175.1	-172.8	-80.9	0	0	0	108.5	I121 A123 D124 H204 G206 C212 L218 S221 L222	I121-Y163 PolarHBondContact O-N 3.45Å; A123-Y163 CarbonylContact C-O 3.47Å; A123-Y163 WeakPolarHBondContact CA-O 3.35Å; A123-Y163 VanDerWaalsContact CB-O 3.23Å; A123-Y163 WeakPolarHBondContact CB-O 3.44Å; A123-Y163 PolarHBondContact N-O 3.32Å; D124-Y163 HydrophobicContact CB-CD1 4.24Å; D124-Y163 HydrophobicContact CB-CE1 4.31Å; D124-Y163 PolarHBondContact N-O 3.41Å; Y163-H204 CarbonylContact C-O 3.6Å; Y163-H204 WeakPolarHBondContact CA-O 3.25Å; Y163-H204 AromaticContact CD2-CD2 3.77Å; Y163-H204 AromaticContact CE2-CD2 3.78Å; Y163-G206 VanDerWaalsContact OH-CA 3.3Å; Y163-G206 WeakPolarHBondContact OH-CA 3.48Å; Y163-C212 HydrophobicContact CE1-CB 4.13Å; Y163-C212 WeakPolarHBondContact OH-CB 3.43Å; Y163-L218 HydrophobicContact CD1-CD1 3.99Å; Y163-L218 HydrophobicContact CD1-CD2 4.43Å; Y163-L218 HydrophobicContact CD1-CG 3.84Å; Y163-L218 HydrophobicContact CD2-CD2 3.98Å; Y163-L218 HydrophobicContact CD2-CG 4.07Å; Y163-L218 HydrophobicContact CE1-CG 4.41Å; Y163-L218 HydrophobicContact CG-CD1 4.07Å; Y163-L218 HydrophobicContact CG-CD2 3.75Å; Y163-L218 HydrophobicContact CG-CG 3.66Å; Y163-S221 WeakPolarHBondContact CE2-OG 3.27Å; Y163-S221 WeakPolarHBondContact OH-CB 3.25Å; Y163-S221 PolarHBondContact OH-OG 3.26Å; Y163-L222 HydrophobicContact CD2-CB 4.37Å; Y163-L222 HydrophobicContact CD2-CD1 4.2Å; Y163-L222 HydrophobicContact CD2-CG 4.5Å
164	I	98.3	Very high	97.4	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	-94.5	142.3	-178.8	-165.5	169.6	0	0	0	111	A123 M137 I162 F168 E171 A172 M203 H204 R205 G206	A123-I164 HydrophobicContact CB-CB 4.43Å; M137-I164 HydrophobicContact CE-CD1 4.14Å; M137-I164 HydrophobicContact CE-CG1 4.1Å; M137-I164 HydrophobicContact SD-CD1 3.36Å; M137-I164 WeakPolarHBondContact SD-CD1 3.45Å; M137-I164 HydrophobicContact SD-CG1 3.62Å; I162-I164 PolarHBondContact O-N 2.99Å; I164-F168 HydrophobicContact CD1-CB 4.07Å; I164-F168 HydrophobicContact CG1-CB 3.99Å; I164-F168 HydrophobicContact CG1-CD2 4.32Å; I164-E171 HydrophobicContact CD1-CB 3.92Å; I164-A172 HydrophobicContact CD1-CB 3.89Å; I164-A172 HydrophobicContact CG2-CB 3.85Å; I164-M203 HydrophobicContact CB-SD 4.01Å; I164-M203 HydrophobicContact CG2-CG 4.36Å; I164-M203 HydrophobicContact CG2-SD 3.73Å; I164-H204 PolarHBondContact N-O 2.82Å; I164-R205 HydrophobicContact CG2-CB 4.37Å; I164-R205 HydrophobicContact CG2-CG 3.62Å; I164-R205 CarbonylContact O-C 3.57Å; I164-R205 WeakPolarHBondContact O-CA 3.4Å; I164-G206 PolarHBondContact O-N 2.81Å
165	R	97.3	Very high	97.4	Very high	56 Å²	56	33.8 Å²	33.8	21%	0.211	18%	0.175	C	C	.	.			trans	-49.3	141.4	175.2	-151.6	-172.7	166	148.8	-4.6	112	A123 D124 E125 E167 F168	A123-R165 PolarHBondContact O-N 3.22Å; A123-R165 VanDerWaalsContact O-N 3.08Å; D124-R165 WeakPolarHBondContact O-CB 3.2Å; D124-R165 WeakPolarHBondContact O-CD 3.17Å; D124-R165 WeakPolarHBondContact O-CG 3.33Å; E125-R165 PolarHBondContact O-NH1 2.87Å; R165-E167 VanDerWaalsContact C-N 3.29Å; R165-E167 WeakPolarHBondContact CG-OE2 3.12Å; R165-E167 IonicContact CZ-OE1 2.98Å; R165-E167 VanDerWaalsContact NE-CD 3.26Å; R165-E167 IonicContact NE-OE1 3.57Å; R165-E167 PolarHBondContact NE-OE1 2.78Å; R165-E167 VanDerWaalsContact NE-OE1 3.15Å; R165-E167 IonicContact NE-OE2 3.32Å; R165-E167 PolarHBondContact NE-OE2 3.44Å; R165-E167 VanDerWaalsContact NE-OE2 3.13Å; R165-E167 IonicContact NH2-OE1 2.86Å; R165-E167 PolarHBondContact NH2-OE1 2.88Å; R165-E167 PolarHBondContact O-N 2.84Å; R165-F168 HydrophobicContact CB-CB 4.14Å; R165-F168 HydrophobicContact CB-CD1 4.44Å; R165-F168 HydrophobicContact CB-CD2 3.48Å; R165-F168 VanDerWaalsContact CB-CD2 3.48Å; R165-F168 HydrophobicContact CB-CE2 3.91Å; R165-F168 HydrophobicContact CB-CG 3.77Å; R165-F168 PolarHBondContact O-N 2.98Å
166	G	96.5	Very high	97.5	Very high	8 Å²	8	38 Å²	38	8%	0.082	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-40.5	179.2	0	0	0	0	0	113.2	F168 R205 G206	G166-F168 VanDerWaalsContact C-N 3.26Å; G166-F168 PolarHBondContact O-N 3.1Å; G166-R205 PolarHBondContact O-NH2 3.44Å; G166-G206 WeakPolarHBondContact CA-O 3.07Å
167	E	97.8	Very high	97.6	Very high	98 Å²	98	39.9 Å²	39.9	46%	0.458	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-20.2	-177.8	-63.3	94.4	126	0	0	113.2	R165 Y169 G208	R165-E167 VanDerWaalsContact C-N 3.29Å; R165-E167 WeakPolarHBondContact CG-OE2 3.12Å; R165-E167 IonicContact CZ-OE1 2.98Å; R165-E167 VanDerWaalsContact NE-CD 3.26Å; R165-E167 IonicContact NE-OE1 3.57Å; R165-E167 PolarHBondContact NE-OE1 2.78Å; R165-E167 VanDerWaalsContact NE-OE1 3.15Å; R165-E167 IonicContact NE-OE2 3.32Å; R165-E167 PolarHBondContact NE-OE2 3.44Å; R165-E167 VanDerWaalsContact NE-OE2 3.13Å; R165-E167 IonicContact NH2-OE1 2.86Å; R165-E167 PolarHBondContact NH2-OE1 2.88Å; R165-E167 PolarHBondContact O-N 2.84Å; E167-Y169 PolarHBondContact O-N 3.48Å; E167-G208 VanDerWaalsContact OE2-CA 3.28Å; E167-G208 WeakPolarHBondContact OE2-CA 3.32Å
168	F	98.1	Very high	97.8	Very high	23 Å²	23	39.9 Å²	39.9	10%	0.101	20%	0.197	C	C	.	.			trans	-84.2	54.1	-178.7	-69.7	-9.4	0	0	0	112	E125 R134 M137 I164 R165 G166 E171 A172	E125-F168 HydrophobicContact CB-CE2 4.12Å; R134-F168 HydrophobicContact CB-CE1 4.43Å; R134-F168 HydrophobicContact CB-CE2 3.98Å; R134-F168 HydrophobicContact CB-CZ 3.85Å; R134-F168 HydrophobicContact CG-CD1 4.23Å; R134-F168 HydrophobicContact CG-CD2 4.44Å; R134-F168 HydrophobicContact CG-CE1 3.88Å; R134-F168 HydrophobicContact CG-CE2 4.08Å; R134-F168 HydrophobicContact CG-CZ 3.8Å; M137-F168 HydrophobicContact CE-CD2 3.68Å; M137-F168 HydrophobicContact CE-CE2 3.97Å; I164-F168 HydrophobicContact CD1-CB 4.07Å; I164-F168 HydrophobicContact CG1-CB 3.99Å; I164-F168 HydrophobicContact CG1-CD2 4.32Å; R165-F168 HydrophobicContact CB-CB 4.14Å; R165-F168 HydrophobicContact CB-CD1 4.44Å; R165-F168 HydrophobicContact CB-CD2 3.48Å; R165-F168 VanDerWaalsContact CB-CD2 3.48Å; R165-F168 HydrophobicContact CB-CE2 3.91Å; R165-F168 HydrophobicContact CB-CG 3.77Å; R165-F168 PolarHBondContact O-N 2.98Å; G166-F168 VanDerWaalsContact C-N 3.26Å; G166-F168 PolarHBondContact O-N 3.1Å; F168-E171 WeakPolarHBondContact CA-OE2 3.46Å; F168-E171 HydrophobicContact CB-CB 3.95Å; F168-E171 HydrophobicContact CB-CG 4.05Å; F168-E171 HydrophobicContact CG-CG 4.24Å; F168-A172 VanDerWaalsContact O-CB 3.24Å; F168-A172 WeakPolarHBondContact O-CB 3.48Å; F168-A172 PolarHBondContact O-N 2.91Å
169	Y	98.2	Very high	98.1	Very high	140 Å²	140	36.1 Å²	36.1	55%	0.549	18%	0.176	S	C	.	.	H	α-helix	trans	-64.7	-42	-177.6	178.9	-98.9	0	0	0	113.1	E167 A172 S173	E167-Y169 PolarHBondContact O-N 3.48Å; Y169-A172 PolarHBondContact O-N 3.24Å; Y169-S173 WeakPolarHBondContact O-CB 3.36Å; Y169-S173 PolarHBondContact O-N 2.6Å; Y169-S173 PolarHBondContact O-OG 2.81Å
170	N	98.4	Very high	98.2	Very high	111 Å²	111	41.2 Å²	41.2	59%	0.594	20%	0.197	S	C	*	.	H	α-helix	trans	-70	-44.5	179.9	-69.6	-27.7	0	0	0	110.8	A172 S173 N174	N170-A172 VanDerWaalsContact C-N 3.31Å; N170-A172 PolarHBondContact O-N 2.8Å; N170-S173 WeakPolarHBondContact O-CB 3.37Å; N170-S173 PolarHBondContact O-N 3.26Å; N170-N174 PolarHBondContact O-N 2.75Å
171	E	98.3	Very high	98.2	Very high	10 Å²	10	42.9 Å²	42.9	5%	0.047	21%	0.205	C	C	.	.	H	α-helix	trans	-58.4	-43.3	173.9	-61.7	56.7	-155.7	0	0	110.6	R134 M137 R138 I164 F168 S173 N174 M175	R134-E171 HydrophobicContact CG-CG 3.82Å; R134-E171 IonicContact CZ-OE1 2.7Å; R134-E171 VanDerWaalsContact CZ-OE1 3.23Å; R134-E171 IonicContact NE-OE1 2.64Å; R134-E171 PolarHBondContact NE-OE1 2.99Å; R134-E171 IonicContact NH2-OE1 3.11Å; R134-E171 PolarHBondContact NH2-OE1 3.36Å; M137-E171 HydrophobicContact CB-CB 4.24Å; R138-E171 HydrophobicContact CB-CG 4.09Å; R138-E171 IonicContact NE-OE1 2.79Å; I164-E171 HydrophobicContact CD1-CB 3.92Å; F168-E171 WeakPolarHBondContact CA-OE2 3.46Å; F168-E171 HydrophobicContact CB-CB 3.95Å; F168-E171 HydrophobicContact CB-CG 4.05Å; F168-E171 HydrophobicContact CG-CG 4.24Å; E171-S173 VanDerWaalsContact C-N 3.33Å; E171-S173 PolarHBondContact O-N 3.08Å; E171-N174 PolarHBondContact O-N 3.27Å; E171-M175 WeakPolarHBondContact O-CB 3.24Å; E171-M175 VanDerWaalsContact O-CG 3.31Å; E171-M175 WeakPolarHBondContact O-CG 3.46Å; E171-M175 PolarHBondContact O-N 2.99Å
172	A	98.2	Very high	98.2	Very high	6 Å²	6	41 Å²	41	5%	0.05	20%	0.198	C	C	.	.	H	α-helix	trans	-62.2	-42.1	176.2	0	0	0	0	0	111.5	I164 F168 Y169 N170 M175 Q176 R205	I164-A172 HydrophobicContact CD1-CB 3.89Å; I164-A172 HydrophobicContact CG2-CB 3.85Å; F168-A172 VanDerWaalsContact O-CB 3.24Å; F168-A172 WeakPolarHBondContact O-CB 3.48Å; F168-A172 PolarHBondContact O-N 2.91Å; Y169-A172 PolarHBondContact O-N 3.24Å; N170-A172 VanDerWaalsContact C-N 3.31Å; N170-A172 PolarHBondContact O-N 2.8Å; A172-M175 PolarHBondContact O-N 3.21Å; A172-Q176 WeakPolarHBondContact O-CB 3.3Å; A172-Q176 PolarHBondContact O-N 3.14Å; A172-R205 HydrophobicContact CB-CG 4.26Å
173	S	98	Very high	98.1	Very high	50 Å²	50	44.5 Å²	44.5	35%	0.35	21%	0.212	S	C	.	.	H	α-helix	trans	-65.6	-43.2	178.5	-58.9	0	0	0	0	111.4	Y169 N170 E171 Q176 L177	Y169-S173 WeakPolarHBondContact O-CB 3.36Å; Y169-S173 PolarHBondContact O-N 2.6Å; Y169-S173 PolarHBondContact O-OG 2.81Å; N170-S173 WeakPolarHBondContact O-CB 3.37Å; N170-S173 PolarHBondContact O-N 3.26Å; E171-S173 VanDerWaalsContact C-N 3.33Å; E171-S173 PolarHBondContact O-N 3.08Å; S173-Q176 PolarHBondContact O-N 3.02Å; S173-L177 PolarHBondContact O-N 2.73Å
174	N	97.7	Very high	98.1	Very high	45 Å²	45	51 Å²	51	24%	0.241	24%	0.242	C	C	.	.	H	α-helix	trans	-63.1	-47.2	174.5	-73.9	2	0	0	0	111.6	W57 N170 E171 Q176 L177 A178	W57-N174 HydrophobicContact CH2-CB 3.77Å; W57-N174 HydrophobicContact CZ2-CB 4.19Å; W57-N174 HydrophobicContact CZ3-CB 4.05Å; W57-N174 WeakPolarHBondContact CZ3-O 3.19Å; N170-N174 PolarHBondContact O-N 2.75Å; E171-N174 PolarHBondContact O-N 3.27Å; N174-Q176 VanDerWaalsContact C-N 3.31Å; N174-Q176 PolarHBondContact O-N 3.39Å; N174-L177 PolarHBondContact O-N 2.71Å; N174-A178 PolarHBondContact O-N 3.47Å
175	M	98.3	Very high	98.1	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-58.7	-42.6	175.5	-78.5	-67.4	-52.1	0	0	111.6	M137 P141 L144 I145 I162 E171 A172 L177 A178 I179 M203	M137-M175 HydrophobicContact CB-CG 3.92Å; M137-M175 HydrophobicContact CB-SD 4.13Å; M137-M175 HydrophobicContact CG-CG 4.18Å; M137-M175 HydrophobicContact CG-SD 4.17Å; P141-M175 HydrophobicContact CB-CE 4.44Å; P141-M175 HydrophobicContact CB-CG 4.38Å; P141-M175 HydrophobicContact CB-SD 3.28Å; P141-M175 WeakPolarHBondContact CB-SD 2.95Å; L144-M175 HydrophobicContact CD2-CE 3.74Å; L144-M175 HydrophobicContact CD2-SD 4.19Å; L144-M175 HydrophobicContact CG-CE 4.32Å; I145-M175 HydrophobicContact CD1-CE 4.26Å; I145-M175 HydrophobicContact CG1-CE 3.86Å; I162-M175 HydrophobicContact CD1-CE 3.54Å; E171-M175 WeakPolarHBondContact O-CB 3.24Å; E171-M175 VanDerWaalsContact O-CG 3.31Å; E171-M175 WeakPolarHBondContact O-CG 3.46Å; E171-M175 PolarHBondContact O-N 2.99Å; A172-M175 PolarHBondContact O-N 3.21Å; M175-L177 VanDerWaalsContact C-N 3.34Å; M175-L177 PolarHBondContact O-N 3.36Å; M175-A178 PolarHBondContact O-N 2.91Å; M175-I179 WeakPolarHBondContact O-CB 3.4Å; M175-I179 VanDerWaalsContact O-CG1 3.24Å; M175-I179 WeakPolarHBondContact O-CG1 3.36Å; M175-I179 PolarHBondContact O-N 2.65Å; M175-M203 HydrophobicContact CB-CE 3.51Å; M175-M203 HydrophobicContact CE-CE 4.04Å; M175-M203 HydrophobicContact CG-CE 4.25Å
176	Q	98.2	Very high	98.2	Very high	91 Å²	91	52.3 Å²	52.3	43%	0.425	27%	0.268	S	S	.	.	H	α-helix	trans	-65	-37.2	178.7	-170.8	60.8	74.5	0	0	112.2	A172 S173 N174 K180	A172-Q176 WeakPolarHBondContact O-CB 3.3Å; A172-Q176 PolarHBondContact O-N 3.14Å; S173-Q176 PolarHBondContact O-N 3.02Å; N174-Q176 VanDerWaalsContact C-N 3.31Å; N174-Q176 PolarHBondContact O-N 3.39Å; Q176-K180 PolarHBondContact O-N 2.86Å
177	L	98.2	Very high	98.2	Very high	73 Å²	73	53.7 Å²	53.7	38%	0.382	27%	0.272	S	S	.	.	H	α-helix	trans	-65.7	-46.1	173	-177.2	58.8	0	0	0	111.5	W57 S173 N174 M175 I179 K180 E181	W57-L177 HydrophobicContact CH2-CB 4.19Å; W57-L177 HydrophobicContact CH2-CD2 3.8Å; W57-L177 HydrophobicContact CH2-CG 4.29Å; W57-L177 HydrophobicContact CZ2-CD2 4.41Å; S173-L177 PolarHBondContact O-N 2.73Å; N174-L177 PolarHBondContact O-N 2.71Å; M175-L177 VanDerWaalsContact C-N 3.34Å; M175-L177 PolarHBondContact O-N 3.36Å; L177-I179 VanDerWaalsContact C-N 3.33Å; L177-I179 PolarHBondContact O-N 3.33Å; L177-K180 WeakPolarHBondContact O-CB 3.38Å; L177-K180 PolarHBondContact O-N 3.42Å; L177-K180 VanDerWaalsContact O-N 3.14Å; L177-E181 WeakPolarHBondContact O-CG 3.31Å; L177-E181 PolarHBondContact O-N 3Å
178	A	98.6	Very high	98.3	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-63.6	-36.5	176.7	0	0	0	0	0	112.7	W57 P141 H142 I145 N174 M175 E181 A182	W57-A178 HydrophobicContact CZ3-CB 4.27Å; P141-A178 HydrophobicContact CB-CB 3.7Å; P141-A178 HydrophobicContact CG-CB 3.59Å; H142-A178 PolarHBondContact CE1-O 3.2Å; I145-A178 HydrophobicContact CD1-CB 3.56Å; N174-A178 PolarHBondContact O-N 3.47Å; M175-A178 PolarHBondContact O-N 2.91Å; A178-E181 PolarHBondContact O-N 3.31Å; A178-A182 WeakPolarHBondContact O-CB 3.18Å; A178-A182 PolarHBondContact O-N 3.28Å
179	I	98.6	Very high	98.2	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-61.4	-46.9	172	-73	165.8	0	0	0	109.7	I145 I162 M175 L177 E181 A182 Y183 L188 V201 M203	I145-I179 HydrophobicContact CD1-CG1 3.74Å; I145-I179 HydrophobicContact CG1-CG1 4.01Å; I162-I179 HydrophobicContact CD1-CD1 4.43Å; M175-I179 WeakPolarHBondContact O-CB 3.4Å; M175-I179 VanDerWaalsContact O-CG1 3.24Å; M175-I179 WeakPolarHBondContact O-CG1 3.36Å; M175-I179 PolarHBondContact O-N 2.65Å; L177-I179 VanDerWaalsContact C-N 3.33Å; L177-I179 PolarHBondContact O-N 3.33Å; I179-E181 PolarHBondContact O-N 3.12Å; I179-A182 PolarHBondContact O-N 3.11Å; I179-Y183 HydrophobicContact CG2-CD2 3.63Å; I179-Y183 HydrophobicContact CG2-CE2 3.5Å; I179-Y183 VanDerWaalsContact O-CD2 3.25Å; I179-Y183 WeakPolarHBondContact O-CD2 3.21Å; I179-Y183 PolarHBondContact O-N 3.49Å; I179-L188 HydrophobicContact CG2-CD1 4.46Å; I179-V201 HydrophobicContact CD1-CG1 3.9Å; I179-V201 HydrophobicContact CG1-CG1 4.22Å; I179-M203 HydrophobicContact CD1-CE 3.51Å
180	K	98.6	Very high	98.1	Very high	112 Å²	112	50.8 Å²	50.8	49%	0.487	26%	0.262	S	S	.	.	H	α-helix	trans	-58	-47.3	176.2	177.8	-177.5	168.3	-176.9	0	111.5	Q176 L177 A182 Y183 E184	Q176-K180 PolarHBondContact O-N 2.86Å; L177-K180 WeakPolarHBondContact O-CB 3.38Å; L177-K180 PolarHBondContact O-N 3.42Å; L177-K180 VanDerWaalsContact O-N 3.14Å; K180-A182 VanDerWaalsContact C-N 3.29Å; K180-A182 PolarHBondContact O-N 3.45Å; K180-Y183 PolarHBondContact O-N 2.92Å; K180-E184 WeakPolarHBondContact CE-OE1 3.3Å; K180-E184 HydrophobicContact CG-CG 4.46Å; K180-E184 IonicContact NZ-OE1 3.19Å; K180-E184 WeakPolarHBondContact O-CG 3.24Å; K180-E184 PolarHBondContact O-N 2.86Å
181	E	98.6	Very high	98	Very high	35 Å²	35	49.3 Å²	49.3	16%	0.164	25%	0.254	C	S	.	.	H	α-helix	trans	-58.3	-40.5	176	-70.3	-179.5	164	0	0	111.7	L59 H142 L177 A178 I179 E184 A185	L59-E181 HydrophobicContact CB-CB 4.1Å; L59-E181 WeakPolarHBondContact CB-OE2 3.36Å; L59-E181 HydrophobicContact CD2-CB 4.41Å; L59-E181 PolarHBondContact N-OE2 3.12Å; H142-E181 IonicContact CE1-OE2 3.8Å; H142-E181 IonicContact NE2-OE2 3.15Å; H142-E181 PolarHBondContact NE2-OE2 2.85Å; L177-E181 WeakPolarHBondContact O-CG 3.31Å; L177-E181 PolarHBondContact O-N 3Å; A178-E181 PolarHBondContact O-N 3.31Å; I179-E181 PolarHBondContact O-N 3.12Å; E181-E184 PolarHBondContact O-N 2.9Å; E181-A185 WeakPolarHBondContact O-CB 3.43Å; E181-A185 PolarHBondContact O-N 3.41Å
182	A	98.6	Very high	98	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-68	-34.8	177.3	0	0	0	0	0	113.1	W68 I145 A178 I179 K180 G186 F187 L188	W68-A182 HydrophobicContact CZ2-CB 4.15Å; I145-A182 HydrophobicContact CG2-CB 4.19Å; A178-A182 WeakPolarHBondContact O-CB 3.18Å; A178-A182 PolarHBondContact O-N 3.28Å; I179-A182 PolarHBondContact O-N 3.11Å; K180-A182 VanDerWaalsContact C-N 3.29Å; K180-A182 PolarHBondContact O-N 3.45Å; A182-G186 PolarHBondContact O-N 3.08Å; A182-F187 HydrophobicContact CB-CB 4.38Å; A182-F187 WeakPolarHBondContact O-CB 3.26Å; A182-F187 PolarHBondContact O-N 3.04Å; A182-L188 HydrophobicContact CB-CD1 3.86Å; A182-L188 HydrophobicContact CB-CG 3.99Å; A182-L188 PolarHBondContact O-N 3.39Å
183	Y	98.5	Very high	97.9	Very high	74 Å²	74	49.4 Å²	49.4	29%	0.29	26%	0.255	S	S	.	.	H	α-helix	trans	-67.2	-45.8	170.9	-85.5	-74.7	0	0	0	111.9	I179 K180 A185 G186 L188 D200 V201	I179-Y183 HydrophobicContact CG2-CD2 3.63Å; I179-Y183 HydrophobicContact CG2-CE2 3.5Å; I179-Y183 VanDerWaalsContact O-CD2 3.25Å; I179-Y183 WeakPolarHBondContact O-CD2 3.21Å; I179-Y183 PolarHBondContact O-N 3.49Å; K180-Y183 PolarHBondContact O-N 2.92Å; Y183-A185 VanDerWaalsContact C-N 3.28Å; Y183-A185 PolarHBondContact O-N 2.77Å; Y183-G186 PolarHBondContact O-N 2.95Å; Y183-L188 HydrophobicContact CD1-CB 3.95Å; Y183-L188 HydrophobicContact CD2-CB 4.37Å; Y183-L188 HydrophobicContact CD2-CD1 4.19Å; Y183-L188 HydrophobicContact CE1-CB 3.92Å; Y183-L188 HydrophobicContact CE2-CB 4.31Å; Y183-L188 HydrophobicContact CE2-CD1 4.03Å; Y183-L188 HydrophobicContact CG-CB 4.18Å; Y183-D200 VanDerWaalsContact CE1-OD1 3.31Å; Y183-D200 WeakPolarHBondContact CE1-OD1 3.32Å; Y183-D200 VanDerWaalsContact OH-CA 3.26Å; Y183-D200 WeakPolarHBondContact OH-CA 3.5Å; Y183-D200 WeakPolarHBondContact OH-CB 3.41Å; Y183-D200 PolarHBondContact OH-OD1 3.23Å; Y183-V201 PolarHBondContact OH-N 2.84Å
184	E	98.3	Very high	97.9	Very high	139 Å²	139	48.7 Å²	48.7	65%	0.65	26%	0.256	S	S	*	.	H	α-helix	trans	-62.7	-34.3	178.8	-72.8	176.5	170.2	0	0	112.3	K180 E181 G186	K180-E184 WeakPolarHBondContact CE-OE1 3.3Å; K180-E184 HydrophobicContact CG-CG 4.46Å; K180-E184 IonicContact NZ-OE1 3.19Å; K180-E184 WeakPolarHBondContact O-CG 3.24Å; K180-E184 PolarHBondContact O-N 2.86Å; E181-E184 PolarHBondContact O-N 2.9Å; E184-G186 VanDerWaalsContact C-N 3.28Å; E184-G186 PolarHBondContact O-N 3.18Å
185	A	98.1	Very high	97.8	Very high	46 Å²	46	47.6 Å²	47.6	38%	0.38	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-4	174.4	0	0	0	0	0	114.3	L59 E181 Y183 F187	L59-A185 HydrophobicContact CD2-CB 3.72Å; E181-A185 WeakPolarHBondContact O-CB 3.43Å; E181-A185 PolarHBondContact O-N 3.41Å; Y183-A185 VanDerWaalsContact C-N 3.28Å; Y183-A185 PolarHBondContact O-N 2.77Å; A185-F187 VanDerWaalsContact C-N 3.29Å; A185-F187 HydrophobicContact CB-CD2 3.67Å; A185-F187 HydrophobicContact CB-CE2 3.63Å; A185-F187 HydrophobicContact CB-CG 4.2Å; A185-F187 HydrophobicContact CB-CZ 4.15Å; A185-F187 PolarHBondContact O-N 2.85Å
186	G	98	Very high	97.7	Very high	36 Å²	36	50.5 Å²	50.5	37%	0.371	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.5	19.4	-177.3	0	0	0	0	0	114.4	A182 Y183 E184 C193	A182-G186 PolarHBondContact O-N 3.08Å; Y183-G186 PolarHBondContact O-N 2.95Å; E184-G186 VanDerWaalsContact C-N 3.28Å; E184-G186 PolarHBondContact O-N 3.18Å; G186-C193 PolarHBondContact O-N 3.11Å
187	F	98.2	Very high	97.6	Very high	37 Å²	37	47.7 Å²	47.7	16%	0.162	27%	0.267	C	S	.	.	S	Bend	trans	-79.1	-24.7	175.9	-62.8	-35	0	0	0	113	L59 M63 W68 A182 A185 A192 C193	L59-F187 HydrophobicContact CD1-CD2 4.12Å; L59-F187 HydrophobicContact CD1-CE2 3.73Å; L59-F187 HydrophobicContact CD2-CE2 4.09Å; L59-F187 HydrophobicContact CG-CE2 4.45Å; M63-F187 HydrophobicContact CE-CZ 4.47Å; M63-F187 HydrophobicContact SD-CE2 4.47Å; M63-F187 HydrophobicContact SD-CZ 4.48Å; W68-F187 HydrophobicContact CB-CD2 4.46Å; W68-F187 HydrophobicContact CB-CE2 4.08Å; W68-F187 HydrophobicContact CB-CZ 4.16Å; W68-F187 HydrophobicContact CD2-CB 4.3Å; W68-F187 AromaticContact CD2-CD2 3.72Å; W68-F187 HydrophobicContact CD2-CD2 3.72Å; W68-F187 HydrophobicContact CD2-CE2 4.21Å; W68-F187 HydrophobicContact CD2-CG 4Å; W68-F187 AromaticContact CE2-CD2 3.94Å; W68-F187 HydrophobicContact CE3-CB 3.9Å; W68-F187 HydrophobicContact CE3-CD1 4.4Å; W68-F187 HydrophobicContact CE3-CD2 4.11Å; W68-F187 AromaticContact CE3-CG 3.9Å; W68-F187 HydrophobicContact CE3-CG 3.9Å; W68-F187 AromaticContact CG-CD2 3.88Å; W68-F187 HydrophobicContact CG-CD2 3.88Å; W68-F187 AromaticContact CG-CE2 3.86Å; W68-F187 HydrophobicContact CG-CE2 3.86Å; W68-F187 HydrophobicContact CG-CG 4.46Å; W68-F187 HydrophobicContact CG-CZ 4.4Å; W68-F187 HydrophobicContact CH2-CB 3.92Å; W68-F187 HydrophobicContact CZ2-CB 4.32Å; W68-F187 HydrophobicContact CZ2-CD2 4.49Å; W68-F187 HydrophobicContact CZ3-CB 3.71Å; W68-F187 HydrophobicContact CZ3-CG 4.23Å; A182-F187 HydrophobicContact CB-CB 4.38Å; A182-F187 WeakPolarHBondContact O-CB 3.26Å; A182-F187 PolarHBondContact O-N 3.04Å; A185-F187 VanDerWaalsContact C-N 3.29Å; A185-F187 HydrophobicContact CB-CD2 3.67Å; A185-F187 HydrophobicContact CB-CE2 3.63Å; A185-F187 HydrophobicContact CB-CG 4.2Å; A185-F187 HydrophobicContact CB-CZ 4.15Å; A185-F187 PolarHBondContact O-N 2.85Å; F187-A192 WeakPolarHBondContact O-CB 3.13Å; F187-C193 PolarHBondContact O-N 2.79Å; F187-C193 PolarHBondContact O-SG 3.46Å
188	L	98.1	Very high	97.6	Very high	6 Å²	6	48.6 Å²	48.6	3%	0.031	27%	0.272	C	S	.	.	S	Bend	trans	-121.3	174.2	175.5	-61.6	179.3	0	0	0	111.7	W68 I145 L149 I179 A182 Y183 F199 V201	W68-L188 HydrophobicContact CH2-CD2 4.42Å; I145-L188 HydrophobicContact CG2-CD1 3.69Å; I145-L188 HydrophobicContact CG2-CD2 4.27Å; I145-L188 HydrophobicContact CG2-CG 4.28Å; L149-L188 HydrophobicContact CB-CD2 4.46Å; I179-L188 HydrophobicContact CG2-CD1 4.46Å; A182-L188 HydrophobicContact CB-CD1 3.86Å; A182-L188 HydrophobicContact CB-CG 3.99Å; A182-L188 PolarHBondContact O-N 3.39Å; Y183-L188 HydrophobicContact CD1-CB 3.95Å; Y183-L188 HydrophobicContact CD2-CB 4.37Å; Y183-L188 HydrophobicContact CD2-CD1 4.19Å; Y183-L188 HydrophobicContact CE1-CB 3.92Å; Y183-L188 HydrophobicContact CE2-CB 4.31Å; Y183-L188 HydrophobicContact CE2-CD1 4.03Å; Y183-L188 HydrophobicContact CG-CB 4.18Å; L188-F199 HydrophobicContact CD2-CD1 4.12Å; L188-V201 HydrophobicContact CD1-CB 3.99Å; L188-V201 HydrophobicContact CD1-CG2 3.7Å; L188-V201 HydrophobicContact CD2-CG2 3.84Å; L188-V201 HydrophobicContact CG-CG2 4.4Å
189	G	97.3	Very high	97.6	Very high	5 Å²	5	48.6 Å²	48.6	5%	0.052	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	88.3	-144.8	175.7	0	0	0	0	0	113	N191 N198 F199 D200	G189-N191 PolarHBondContact O-N 2.71Å; G189-N198 WeakPolarHBondContact O-CA 3.44Å; G189-F199 WeakPolarHBondContact CA-O 3.23Å; G189-F199 PolarHBondContact N-O 2.79Å; G189-F199 PolarHBondContact O-N 2.9Å; G189-D200 WeakPolarHBondContact CA-OD1 3.32Å
190	K	95.9	Very high	97.6	Very high	190 Å²	190	50.9 Å²	50.9	83%	0.826	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	129.9	174.9	-67.9	-175.7	-179.8	179.7	0	109.1	N198	K190-N198 WeakPolarHBondContact CA-OD1 3.24Å
191	N	96.3	Very high	97.6	Very high	79 Å²	79	45.8 Å²	45.8	42%	0.422	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.9	49.9	178.9	-169.9	18.1	0	0	0	113	G189 C193 G194 T195 G196 F197 N198	G189-N191 PolarHBondContact O-N 2.71Å; N191-C193 PolarHBondContact O-N 3.03Å; N191-G194 WeakPolarHBondContact O-CA 3.36Å; N191-G194 PolarHBondContact O-N 3.19Å; N191-G194 VanDerWaalsContact OD1-CA 3.28Å; N191-G194 WeakPolarHBondContact OD1-CA 3.13Å; N191-T195 PolarHBondContact OD1-N 3.08Å; N191-G196 WeakPolarHBondContact OD1-CA 3.38Å; N191-G196 PolarHBondContact OD1-N 3.25Å; N191-F197 CarbonylContact C-O 3.45Å; N191-F197 WeakPolarHBondContact CA-O 3.09Å; N191-F197 PolarHBondContact N-O 3.21Å; N191-N198 PolarHBondContact N-OD1 3.32Å
192	A	97.3	Very high	97.6	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-48.6	124.9	-179.7	0	0	0	0	0	111.9	L149 F187 G194 T195 F197 F199	L149-A192 HydrophobicContact CD1-CB 3.75Å; L149-A192 HydrophobicContact CD2-CB 4.45Å; F187-A192 WeakPolarHBondContact O-CB 3.13Å; A192-G194 PolarHBondContact O-N 2.8Å; A192-G194 VanDerWaalsContact O-N 3.11Å; A192-T195 WeakPolarHBondContact O-CB 3.14Å; A192-T195 WeakPolarHBondContact O-CG2 3.34Å; A192-T195 PolarHBondContact O-N 2.89Å; A192-T195 PolarHBondContact O-OG1 3.33Å; A192-F197 WeakPolarHBondContact CB-O 3.29Å; A192-F197 PolarHBondContact N-O 3.11Å; A192-F199 HydrophobicContact CB-CB 4.29Å
193	C	97.1	Very high	97.5	Very high	18 Å²	18	50.7 Å²	50.7	12%	0.122	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	55.8	20.5	-175	-62.4	0	0	0	0	114.7	K72 G186 F187 N191 T195	K72-C193 HydrophobicContact CB-CB 4.29Å; K72-C193 WeakPolarHBondContact CD-O 3.42Å; K72-C193 WeakPolarHBondContact CG-O 3.46Å; G186-C193 PolarHBondContact O-N 3.11Å; F187-C193 PolarHBondContact O-N 2.79Å; F187-C193 PolarHBondContact O-SG 3.46Å; N191-C193 PolarHBondContact O-N 3.03Å; C193-T195 HydrophobicContact CB-CG2 4.06Å
194	G	96.8	Very high	97.5	Very high	35 Å²	35	50.2 Å²	50.2	36%	0.361	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	67.4	33.3	-178	0	0	0	0	0	114.2	K72 N191 A192	K72-G194 VanDerWaalsContact CE-O 3.24Å; K72-G194 WeakPolarHBondContact CE-O 3.18Å; K72-G194 PolarHBondContact NZ-O 3.43Å; N191-G194 WeakPolarHBondContact O-CA 3.36Å; N191-G194 PolarHBondContact O-N 3.19Å; N191-G194 VanDerWaalsContact OD1-CA 3.28Å; N191-G194 WeakPolarHBondContact OD1-CA 3.13Å; A192-G194 PolarHBondContact O-N 2.8Å; A192-G194 VanDerWaalsContact O-N 3.11Å
195	T	96.9	Very high	97.4	Very high	23 Å²	23	49.1 Å²	49.1	14%	0.141	27%	0.273	C	S	.	.	S	Bend	trans	-101.5	-11	-172.7	61	0	0	0	0	115.3	K72 V75 L76 N191 A192 C193 F197	K72-T195 HydrophobicContact CB-CG2 4.15Å; K72-T195 HydrophobicContact CG-CG2 3.72Å; V75-T195 HydrophobicContact CB-CG2 3.81Å; V75-T195 HydrophobicContact CG1-CG2 3.65Å; L76-T195 HydrophobicContact CG-CG2 4.37Å; N191-T195 PolarHBondContact OD1-N 3.08Å; A192-T195 WeakPolarHBondContact O-CB 3.14Å; A192-T195 WeakPolarHBondContact O-CG2 3.34Å; A192-T195 PolarHBondContact O-N 2.89Å; A192-T195 PolarHBondContact O-OG1 3.33Å; C193-T195 HydrophobicContact CB-CG2 4.06Å; T195-F197 VanDerWaalsContact C-N 3.3Å; T195-F197 WeakPolarHBondContact OG1-CB 3.4Å; T195-F197 PolarHBondContact OG1-N 2.76Å
196	G	95.9	Very high	97.3	Very high	60 Å²	60	47.4 Å²	47.4	62%	0.619	26%	0.26	S	S	*	.	S	Bend	trans	84.9	-5.2	-168.7	0	0	0	0	0	114	N191	N191-G196 WeakPolarHBondContact OD1-CA 3.38Å; N191-G196 PolarHBondContact OD1-N 3.25Å
197	F	96.5	Very high	97.2	Very high	32 Å²	32	50.5 Å²	50.5	14%	0.14	28%	0.281	C	S	.	.			trans	-87.5	130.4	178.7	-176.2	-127.9	0	0	0	110.9	V75 L149 K153 A157 N191 A192 T195 F199	V75-F197 HydrophobicContact CG1-CB 4.33Å; L149-F197 HydrophobicContact CD1-CD1 3.96Å; L149-F197 HydrophobicContact CD1-CE1 4.08Å; K153-F197 HydrophobicContact CB-CD1 4.34Å; K153-F197 HydrophobicContact CB-CE1 3.89Å; K153-F197 HydrophobicContact CB-CZ 4.35Å; K153-F197 HydrophobicContact CD-CD1 4.06Å; K153-F197 HydrophobicContact CD-CD2 4.18Å; K153-F197 HydrophobicContact CD-CE1 4.13Å; K153-F197 HydrophobicContact CD-CE2 4.26Å; K153-F197 HydrophobicContact CD-CG 4.08Å; K153-F197 HydrophobicContact CD-CZ 4.23Å; A157-F197 VanDerWaalsContact O-CZ 3.28Å; A157-F197 WeakPolarHBondContact O-CZ 3.44Å; N191-F197 CarbonylContact C-O 3.45Å; N191-F197 WeakPolarHBondContact CA-O 3.09Å; N191-F197 PolarHBondContact N-O 3.21Å; A192-F197 WeakPolarHBondContact CB-O 3.29Å; A192-F197 PolarHBondContact N-O 3.11Å; T195-F197 VanDerWaalsContact C-N 3.3Å; T195-F197 WeakPolarHBondContact OG1-CB 3.4Å; T195-F197 PolarHBondContact OG1-N 2.76Å; F197-F199 HydrophobicContact CD1-CB 3.96Å; F197-F199 HydrophobicContact CE1-CB 3.67Å; F197-F199 AromaticContact CE1-CD2 3.79Å; F197-F199 HydrophobicContact CE1-CD2 3.79Å; F197-F199 AromaticContact CE1-CG 3.94Å; F197-F199 HydrophobicContact CE1-CG 3.94Å; F197-F199 HydrophobicContact CZ-CB 4.34Å; F197-F199 AromaticContact CZ-CD2 3.97Å; F197-F199 HydrophobicContact CZ-CD2 3.97Å
198	N	97.7	Very high	96.9	Very high	93 Å²	93	50.1 Å²	50.1	50%	0.497	29%	0.288	S	S	.	.			trans	-94.9	125.1	174.5	-61.3	-34.1	0	0	0	109	G189 K190 N191	G189-N198 WeakPolarHBondContact O-CA 3.44Å; K190-N198 WeakPolarHBondContact CA-OD1 3.24Å; N191-N198 PolarHBondContact N-OD1 3.32Å
199	F	98.3	Very high	96.8	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	30%	0.298	C	S	.	.	B	Isolated β-bridge	trans	-150.9	115.8	-177.1	-170.7	-102.6	0	0	0	112.2	C148 L149 A157 N158 A160 L188 G189 A192 F197 V201	C148-F199 HydrophobicContact CB-CE1 4.07Å; C148-F199 HydrophobicContact CB-CZ 4.35Å; C148-F199 WeakPolarHBondContact O-CE1 3.41Å; C148-F199 WeakPolarHBondContact O-CZ 3.36Å; L149-F199 HydrophobicContact CB-CD1 4.22Å; L149-F199 HydrophobicContact CB-CE1 4.34Å; L149-F199 HydrophobicContact CD1-CB 3.74Å; L149-F199 HydrophobicContact CD1-CD1 3.69Å; L149-F199 HydrophobicContact CD1-CG 3.84Å; A157-F199 HydrophobicContact CB-CE2 4.3Å; A157-F199 VanDerWaalsContact O-CD2 3.32Å; A157-F199 WeakPolarHBondContact O-CD2 3.47Å; N158-F199 WeakPolarHBondContact O-CA 3.39Å; A160-F199 HydrophobicContact CB-CE1 4.1Å; A160-F199 HydrophobicContact CB-CE2 4.5Å; A160-F199 HydrophobicContact CB-CZ 3.59Å; L188-F199 HydrophobicContact CD2-CD1 4.12Å; G189-F199 WeakPolarHBondContact CA-O 3.23Å; G189-F199 PolarHBondContact N-O 2.79Å; G189-F199 PolarHBondContact O-N 2.9Å; A192-F199 HydrophobicContact CB-CB 4.29Å; F197-F199 HydrophobicContact CD1-CB 3.96Å; F197-F199 HydrophobicContact CE1-CB 3.67Å; F197-F199 AromaticContact CE1-CD2 3.79Å; F197-F199 HydrophobicContact CE1-CD2 3.79Å; F197-F199 AromaticContact CE1-CG 3.94Å; F197-F199 HydrophobicContact CE1-CG 3.94Å; F197-F199 HydrophobicContact CZ-CB 4.34Å; F197-F199 AromaticContact CZ-CD2 3.97Å; F197-F199 HydrophobicContact CZ-CD2 3.97Å; F199-V201 HydrophobicContact CD1-CG2 4.13Å; F199-V201 HydrophobicContact CE1-CG2 3.68Å
200	D	98.3	Very high	96.8	Very high	49 Å²	49	53 Å²	53	26%	0.262	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	150.4	178.2	-74.9	-55.2	0	0	0	112.3	N158 A159 A160 Y183 G189 Y202	N158-D200 PolarHBondContact O-N 3.09Å; A159-D200 CarbonylContact C-O 3.26Å; A159-D200 WeakPolarHBondContact CA-O 3.43Å; A159-D200 HydrophobicContact CB-CB 4.37Å; A160-D200 PolarHBondContact N-O 3.26Å; Y183-D200 VanDerWaalsContact CE1-OD1 3.31Å; Y183-D200 WeakPolarHBondContact CE1-OD1 3.32Å; Y183-D200 VanDerWaalsContact OH-CA 3.26Å; Y183-D200 WeakPolarHBondContact OH-CA 3.5Å; Y183-D200 WeakPolarHBondContact OH-CB 3.41Å; Y183-D200 PolarHBondContact OH-OD1 3.23Å; G189-D200 WeakPolarHBondContact CA-OD1 3.32Å; D200-Y202 HydrophobicContact CB-CE2 3.76Å
201	V	98.6	Very high	96.8	Very high	5 Å²	5	44.5 Å²	44.5	3%	0.03	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	119.1	175.4	-176.8	0	0	0	0	109.1	C148 A160 I162 I179 Y183 L188 F199	C148-V201 HydrophobicContact CB-CG2 4.31Å; A160-V201 HydrophobicContact CB-CG2 4.34Å; A160-V201 CarbonylContact O-C 3.4Å; A160-V201 WeakPolarHBondContact O-CA 3.3Å; I162-V201 HydrophobicContact CD1-CG1 3.78Å; I162-V201 HydrophobicContact CG1-CG1 4.05Å; I179-V201 HydrophobicContact CD1-CG1 3.9Å; I179-V201 HydrophobicContact CG1-CG1 4.22Å; Y183-V201 PolarHBondContact OH-N 2.84Å; L188-V201 HydrophobicContact CD1-CB 3.99Å; L188-V201 HydrophobicContact CD1-CG2 3.7Å; L188-V201 HydrophobicContact CD2-CG2 3.84Å; L188-V201 HydrophobicContact CG-CG2 4.4Å; F199-V201 HydrophobicContact CD1-CG2 4.13Å; F199-V201 HydrophobicContact CE1-CG2 3.68Å
202	Y	98.3	Very high	96.8	Very high	101 Å²	101	41.1 Å²	41.1	40%	0.396	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	141.7	178.7	-58.1	-73.3	0	0	0	110.5	A159 A160 Y161 I162 D200	A159-Y202 HydrophobicContact CB-CD2 4.02Å; A159-Y202 HydrophobicContact CB-CE2 3.7Å; A160-Y202 PolarHBondContact O-N 3.32Å; Y161-Y202 CarbonylContact C-O 3.6Å; Y161-Y202 WeakPolarHBondContact CA-O 3.32Å; Y161-Y202 HydrophobicContact CD1-CD2 4.14Å; Y161-Y202 HydrophobicContact CD1-CG 4.25Å; Y161-Y202 AromaticContact CE1-CD2 3.67Å; Y161-Y202 HydrophobicContact CE1-CD2 3.67Å; Y161-Y202 AromaticContact CE1-CG 3.92Å; Y161-Y202 HydrophobicContact CE1-CG 3.92Å; Y161-Y202 HydrophobicContact CE2-CD2 4.25Å; Y161-Y202 AromaticContact CZ-CD2 3.73Å; I162-Y202 PolarHBondContact N-O 3.42Å; D200-Y202 HydrophobicContact CB-CE2 3.76Å
203	M	97.4	Very high	96.7	Very high	36 Å²	36	41.9 Å²	41.9	18%	0.177	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	132.2	172.4	-169.1	60.2	55	0	0	109.5	I162 I164 M175 I179	I162-M203 HydrophobicContact CB-CE 3.77Å; I162-M203 HydrophobicContact CB-SD 3.85Å; I162-M203 HydrophobicContact CD1-CE 3.93Å; I162-M203 HydrophobicContact CG1-CE 4.35Å; I162-M203 HydrophobicContact CG2-CE 3.86Å; I162-M203 HydrophobicContact CG2-SD 3.79Å; I164-M203 HydrophobicContact CB-SD 4.01Å; I164-M203 HydrophobicContact CG2-CG 4.36Å; I164-M203 HydrophobicContact CG2-SD 3.73Å; M175-M203 HydrophobicContact CB-CE 3.51Å; M175-M203 HydrophobicContact CE-CE 4.04Å; M175-M203 HydrophobicContact CG-CE 4.25Å; I179-M203 HydrophobicContact CD1-CE 3.51Å
204	H	97.6	Very high	96.6	Very high	65 Å²	65	42.9 Å²	42.9	30%	0.301	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	130.3	174.6	-168.1	97.6	0	0	0	109.3	I162 Y163 I164 L222	I162-H204 PolarHBondContact O-N 3.32Å; I162-H204 VanDerWaalsContact O-O 3.13Å; Y163-H204 CarbonylContact C-O 3.6Å; Y163-H204 WeakPolarHBondContact CA-O 3.25Å; Y163-H204 AromaticContact CD2-CD2 3.77Å; Y163-H204 AromaticContact CE2-CD2 3.78Å; I164-H204 PolarHBondContact N-O 2.82Å; H204-L222 HydrophobicContact CB-CD1 4.45Å; H204-L222 HydrophobicContact CB-CG 4.46Å
205	R	97.5	Very high	96.4	Very high	116 Å²	116	43 Å²	43	44%	0.438	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	130.4	-179.9	-69.8	-179.2	61.5	-132.2	-0.4	110.6	I164 G166 A172	I164-R205 HydrophobicContact CG2-CB 4.37Å; I164-R205 HydrophobicContact CG2-CG 3.62Å; I164-R205 CarbonylContact O-C 3.57Å; I164-R205 WeakPolarHBondContact O-CA 3.4Å; G166-R205 PolarHBondContact O-NH2 3.44Å; A172-R205 HydrophobicContact CB-CG 4.26Å
206	G	95.9	Very high	96.4	Very high	10 Å²	10	42.1 Å²	42.1	10%	0.103	25%	0.246	C	C	.	.			trans	-71	-169.5	163.5	0	0	0	0	0	112.2	Y163 I164 G166	Y163-G206 VanDerWaalsContact OH-CA 3.3Å; Y163-G206 WeakPolarHBondContact OH-CA 3.48Å; I164-G206 PolarHBondContact O-N 2.81Å; G166-G206 WeakPolarHBondContact CA-O 3.07Å
207	A	96.3	Very high	96.5	Very high	100 Å²	100	39.2 Å²	39.2	83%	0.826	22%	0.217	S	C	*	.			trans	-140.9	33.2	-174.3	0	0	0	0	0	114
208	G	91.6	Very high	96.6	Very high	29 Å²	29	37.7 Å²	37.7	30%	0.299	21%	0.21	S	C	.	.	S	Bend	trans	80.8	59.6	175.4	0	0	0	0	0	113.7	E167	E167-G208 VanDerWaalsContact OE2-CA 3.28Å; E167-G208 WeakPolarHBondContact OE2-CA 3.32Å
209	A	95.8	Very high	96.6	Very high	30 Å²	30	33.3 Å²	33.3	25%	0.248	19%	0.186	C	C	.	.			trans	-142.4	110.1	175.8	0	0	0	0	0	110.1	I211 C212 E383	A209-I211 HydrophobicContact CB-CG2 4.26Å; A209-I211 PolarHBondContact O-N 2.81Å; A209-C212 HydrophobicContact CB-CB 4.43Å; A209-C212 VanDerWaalsContact O-CB 3.31Å; A209-C212 WeakPolarHBondContact O-CB 3.27Å; A209-C212 PolarHBondContact O-N 3.4Å; A209-E383 WeakPolarHBondContact CA-OE2 3.37Å
210	Y	96.7	Very high	96.5	Very high	41 Å²	41	34.8 Å²	34.8	16%	0.161	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-58.6	-34	-179.6	156.7	-99.3	0	0	0	112.3	E127 C212 G213 F379 Y380 E383 L433	E127-Y210 HydrophobicContact CB-CE2 4.27Å; E127-Y210 WeakPolarHBondContact OE2-CE2 3.38Å; E127-Y210 PolarHBondContact OE2-OH 3.18Å; Y210-C212 PolarHBondContact O-N 2.68Å; Y210-G213 WeakPolarHBondContact O-CA 3.42Å; Y210-G213 PolarHBondContact O-N 3.24Å; Y210-F379 HydrophobicContact CD1-CE1 4.12Å; Y210-F379 HydrophobicContact CD1-CZ 4.08Å; Y210-F379 HydrophobicContact CD2-CZ 4.06Å; Y210-F379 HydrophobicContact CE1-CE1 4.4Å; Y210-F379 HydrophobicContact CG-CE1 4.18Å; Y210-F379 AromaticContact CG-CZ 3.71Å; Y210-F379 HydrophobicContact CG-CZ 3.71Å; Y210-Y380 HydrophobicContact CE1-CD1 4.34Å; Y210-Y380 AromaticContact CE1-CE1 3.89Å; Y210-Y380 HydrophobicContact CE1-CE1 3.89Å; Y210-E383 HydrophobicContact CD1-CB 3.92Å; Y210-E383 HydrophobicContact CG-CB 4.34Å; Y210-E383 PolarHBondContact N-OE2 3.02Å; Y210-L433 HydrophobicContact CD1-CD1 3.78Å; Y210-L433 HydrophobicContact CE1-CD1 3.61Å; Y210-L433 HydrophobicContact CE1-CG 3.99Å
211	I	96.6	Very high	96.5	Very high	12 Å²	12	33.4 Å²	33.4	6%	0.062	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-60.9	-28.5	176.2	-172.5	55.9	0	0	0	112.9	A209 G213 E214 A217 P229 E383 C385 L433	A209-I211 HydrophobicContact CB-CG2 4.26Å; A209-I211 PolarHBondContact O-N 2.81Å; I211-G213 PolarHBondContact O-N 2.73Å; I211-E214 HydrophobicContact CD1-CB 4.37Å; I211-E214 WeakPolarHBondContact O-CB 3.38Å; I211-E214 PolarHBondContact O-N 3.2Å; I211-A217 HydrophobicContact CG1-CB 4.43Å; I211-A217 WeakPolarHBondContact O-CB 3.39Å; I211-P229 HydrophobicContact CD1-CG 3.74Å; I211-P229 HydrophobicContact CG1-CG 4.22Å; I211-E383 WeakPolarHBondContact CB-O 3.48Å; I211-C385 HydrophobicContact CB-CB 4.47Å; I211-C385 HydrophobicContact CG1-CB 3.92Å; I211-C385 HydrophobicContact CG2-CB 4.01Å; I211-L433 HydrophobicContact CB-CD1 4.21Å; I211-L433 HydrophobicContact CD1-CB 4.27Å; I211-L433 HydrophobicContact CD1-CD1 3.76Å; I211-L433 HydrophobicContact CG1-CD1 4.43Å
212	C	96.5	Very high	96.5	Very high	8 Å²	8	33.7 Å²	33.7	5%	0.054	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-68.7	-12.5	173.6	-67.4	0	0	0	0	112.8	Y163 A209 Y210 E214 L218	Y163-C212 HydrophobicContact CE1-CB 4.13Å; Y163-C212 WeakPolarHBondContact OH-CB 3.43Å; A209-C212 HydrophobicContact CB-CB 4.43Å; A209-C212 VanDerWaalsContact O-CB 3.31Å; A209-C212 WeakPolarHBondContact O-CB 3.27Å; A209-C212 PolarHBondContact O-N 3.4Å; Y210-C212 PolarHBondContact O-N 2.68Å; C212-E214 VanDerWaalsContact C-N 3.27Å; C212-L218 VanDerWaalsContact O-CA 3.24Å; C212-L218 WeakPolarHBondContact O-CA 3.4Å; C212-L218 WeakPolarHBondContact O-CB 3.47Å; C212-L218 WeakPolarHBondContact O-CG 3.49Å; C212-L218 PolarHBondContact O-N 3.4Å
213	G	93.6	Very high	96.4	Very high	17 Å²	17	30.7 Å²	30.7	18%	0.175	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-74.9	-10.1	167.6	0	0	0	0	0	113.8	N122 D124 Y210 I211	N122-G213 PolarHBondContact ND2-O 2.84Å; D124-G213 PolarHBondContact OD2-N 3.5Å; Y210-G213 WeakPolarHBondContact O-CA 3.42Å; Y210-G213 PolarHBondContact O-N 3.24Å; I211-G213 PolarHBondContact O-N 2.73Å
214	E	94.7	Very high	96.4	Very high	38 Å²	38	32.2 Å²	32.2	18%	0.178	20%	0.204	C	C	.	.	S	Bend	trans	-75.5	138.7	171.4	-165.8	-79.3	144.7	0	0	110.9	I211 C212 T216 A217 L218 K232 C431	I211-E214 HydrophobicContact CD1-CB 4.37Å; I211-E214 WeakPolarHBondContact O-CB 3.38Å; I211-E214 PolarHBondContact O-N 3.2Å; C212-E214 VanDerWaalsContact C-N 3.27Å; E214-T216 VanDerWaalsContact C-N 3.35Å; E214-T216 VanDerWaalsContact CD-N 3.35Å; E214-T216 PolarHBondContact O-N 3.35Å; E214-T216 VanDerWaalsContact O-N 3.14Å; E214-T216 PolarHBondContact OE1-N 2.72Å; E214-T216 WeakPolarHBondContact OE2-CA 3.12Å; E214-T216 WeakPolarHBondContact OE2-CB 3.46Å; E214-T216 PolarHBondContact OE2-N 3.32Å; E214-T216 PolarHBondContact OE2-OG1 3.26Å; E214-A217 HydrophobicContact CB-CB 4.14Å; E214-A217 PolarHBondContact O-N 2.85Å; E214-A217 VanDerWaalsContact O-N 3.14Å; E214-A217 PolarHBondContact OE2-N 3.16Å; E214-L218 VanDerWaalsContact O-CB 3.24Å; E214-L218 WeakPolarHBondContact O-CB 3.41Å; E214-L218 PolarHBondContact O-N 2.86Å; E214-K232 IonicContact OE1-NZ 2.76Å; E214-K232 PolarHBondContact OE1-NZ 3.32Å; E214-C431 HydrophobicContact CG-CB 3.96Å
215	E	94.4	Very high	96.4	Very high	39 Å²	39	34.3 Å²	34.3	18%	0.182	21%	0.212	C	C	.	.	H	α-helix	trans	-47.4	-45.9	-173.2	160.3	174	-114.9	0	0	115.4	K104 I219 K232 P236 V248	K104-E215 WeakPolarHBondContact CE-OE1 3.38Å; K104-E215 IonicContact NZ-OE1 3.05Å; K104-E215 PolarHBondContact NZ-OE1 3.44Å; E215-I219 WeakPolarHBondContact O-CG1 3.28Å; E215-K232 IonicContact OE2-NZ 2.71Å; E215-K232 PolarHBondContact OE2-NZ 3.38Å; E215-P236 HydrophobicContact CG-CG 3.79Å; E215-V248 HydrophobicContact CB-CB 4.14Å; E215-V248 HydrophobicContact CB-CG1 4.35Å; E215-V248 HydrophobicContact CB-CG2 4.37Å; E215-V248 HydrophobicContact CG-CB 3.75Å; E215-V248 HydrophobicContact CG-CG1 4.48Å; E215-V248 HydrophobicContact CG-CG2 3.74Å
216	T	96.3	Very high	96.3	Very high	3 Å²	3	35 Å²	35	2%	0.018	22%	0.22	C	C	.	.	H	α-helix	trans	-86.4	-31	-179.2	58.9	0	0	0	0	113.5	E214 L218 I219 E220 P229 R230 K232 P236	E214-T216 VanDerWaalsContact C-N 3.35Å; E214-T216 VanDerWaalsContact CD-N 3.35Å; E214-T216 PolarHBondContact O-N 3.35Å; E214-T216 VanDerWaalsContact O-N 3.14Å; E214-T216 PolarHBondContact OE1-N 2.72Å; E214-T216 WeakPolarHBondContact OE2-CA 3.12Å; E214-T216 WeakPolarHBondContact OE2-CB 3.46Å; E214-T216 PolarHBondContact OE2-N 3.32Å; E214-T216 PolarHBondContact OE2-OG1 3.26Å; T216-L218 VanDerWaalsContact C-N 3.31Å; T216-I219 PolarHBondContact O-N 2.94Å; T216-E220 PolarHBondContact O-N 3.35Å; T216-E220 VanDerWaalsContact O-N 3.11Å; T216-P229 WeakPolarHBondContact OG1-CA 3.28Å; T216-P229 WeakPolarHBondContact OG1-CB 3.45Å; T216-R230 HydrophobicContact CG2-CB 4.19Å; T216-R230 PolarHBondContact OG1-N 2.88Å; T216-R230 PolarHBondContact OG1-O 2.85Å; T216-K232 HydrophobicContact CG2-CD 4.5Å; T216-K232 HydrophobicContact CG2-CG 4.39Å; T216-P236 HydrophobicContact CG2-CG 3.97Å
217	A	97.5	Very high	96.4	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-65.6	-37	171.8	0	0	0	0	0	111.9	I211 E214 I219 E220 S221 P229	I211-A217 HydrophobicContact CG1-CB 4.43Å; I211-A217 WeakPolarHBondContact O-CB 3.39Å; E214-A217 HydrophobicContact CB-CB 4.14Å; E214-A217 PolarHBondContact O-N 2.85Å; E214-A217 VanDerWaalsContact O-N 3.14Å; E214-A217 PolarHBondContact OE2-N 3.16Å; A217-I219 VanDerWaalsContact C-N 3.33Å; A217-I219 PolarHBondContact O-N 3.25Å; A217-E220 PolarHBondContact O-N 3.25Å; A217-S221 WeakPolarHBondContact O-CB 3.35Å; A217-S221 PolarHBondContact O-N 2.89Å; A217-P229 HydrophobicContact CB-CB 4.48Å; A217-P229 HydrophobicContact CB-CG 3.93Å
218	L	97.9	Very high	96.4	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-59.6	-45.7	175.2	-164.1	156.2	0	0	0	110.7	V120 N122 Y163 C212 E214 T216 S221 L222 V248	V120-L218 HydrophobicContact CG1-CD2 3.18Å; N122-L218 HydrophobicContact CB-CD1 3.75Å; Y163-L218 HydrophobicContact CD1-CD1 3.99Å; Y163-L218 HydrophobicContact CD1-CD2 4.43Å; Y163-L218 HydrophobicContact CD1-CG 3.84Å; Y163-L218 HydrophobicContact CD2-CD2 3.98Å; Y163-L218 HydrophobicContact CD2-CG 4.07Å; Y163-L218 HydrophobicContact CE1-CG 4.41Å; Y163-L218 HydrophobicContact CG-CD1 4.07Å; Y163-L218 HydrophobicContact CG-CD2 3.75Å; Y163-L218 HydrophobicContact CG-CG 3.66Å; C212-L218 VanDerWaalsContact O-CA 3.24Å; C212-L218 WeakPolarHBondContact O-CA 3.4Å; C212-L218 WeakPolarHBondContact O-CB 3.47Å; C212-L218 WeakPolarHBondContact O-CG 3.49Å; C212-L218 PolarHBondContact O-N 3.4Å; E214-L218 VanDerWaalsContact O-CB 3.24Å; E214-L218 WeakPolarHBondContact O-CB 3.41Å; E214-L218 PolarHBondContact O-N 2.86Å; T216-L218 VanDerWaalsContact C-N 3.31Å; L218-S221 PolarHBondContact O-N 3.17Å; L218-L222 HydrophobicContact CD2-CD1 4.47Å; L218-L222 WeakPolarHBondContact O-CB 3.25Å; L218-L222 PolarHBondContact O-N 2.97Å; L218-V248 HydrophobicContact CD1-CG1 4.36Å
219	I	98	Very high	96.7	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-59	-49.7	174.6	-70.9	168	0	0	0	111	E215 T216 A217 S221 L222 E223 P236 L241 T246 V248	E215-I219 WeakPolarHBondContact O-CG1 3.28Å; T216-I219 PolarHBondContact O-N 2.94Å; A217-I219 VanDerWaalsContact C-N 3.33Å; A217-I219 PolarHBondContact O-N 3.25Å; I219-S221 VanDerWaalsContact C-N 3.33Å; I219-S221 PolarHBondContact O-N 3.4Å; I219-L222 PolarHBondContact O-N 2.92Å; I219-E223 WeakPolarHBondContact O-CG 3.45Å; I219-E223 PolarHBondContact O-N 2.99Å; I219-P236 HydrophobicContact CD1-CB 3.82Å; I219-P236 HydrophobicContact CD1-CG 4.03Å; I219-L241 HydrophobicContact CG2-CB 4.32Å; I219-T246 HydrophobicContact CD1-CG2 4.48Å; I219-V248 HydrophobicContact CD1-CG2 3.9Å; I219-V248 HydrophobicContact CG1-CG2 4.02Å
220	E	98	Very high	96.7	Very high	30 Å²	30	33.4 Å²	33.4	14%	0.14	18%	0.18	C	C	.	.	H	α-helix	trans	-60.9	-41.5	178.8	-74.1	-76.9	131.6	0	0	112.2	T216 A217 L222 E223 K225 R230	T216-E220 PolarHBondContact O-N 3.35Å; T216-E220 VanDerWaalsContact O-N 3.11Å; A217-E220 PolarHBondContact O-N 3.25Å; E220-L222 VanDerWaalsContact C-N 3.34Å; E220-L222 PolarHBondContact O-N 3.41Å; E220-E223 PolarHBondContact O-N 2.81Å; E220-K225 WeakPolarHBondContact O-CB 3.4Å; E220-K225 PolarHBondContact O-N 2.97Å; E220-K225 IonicContact OE1-NZ 3.56Å; E220-K225 PolarHBondContact OE1-NZ 3.1Å; E220-K225 WeakPolarHBondContact OE2-CD 3.25Å; E220-K225 IonicContact OE2-NZ 2.74Å; E220-R230 HydrophobicContact CG-CG 3.91Å; E220-R230 IonicContact OE1-CZ 2.71Å; E220-R230 IonicContact OE1-NE 2.72Å; E220-R230 PolarHBondContact OE1-NE 2.99Å; E220-R230 IonicContact OE1-NH2 3.25Å; E220-R230 PolarHBondContact OE1-NH2 3.34Å
221	S	97.9	Very high	96.5	Very high	20 Å²	20	37 Å²	37	14%	0.14	20%	0.202	C	C	.	.	H	α-helix	trans	-63.4	-40.3	175.7	-176.8	0	0	0	0	112	Y163 A217 L218 I219 E223 G224	Y163-S221 WeakPolarHBondContact CE2-OG 3.27Å; Y163-S221 WeakPolarHBondContact OH-CB 3.25Å; Y163-S221 PolarHBondContact OH-OG 3.26Å; A217-S221 WeakPolarHBondContact O-CB 3.35Å; A217-S221 PolarHBondContact O-N 2.89Å; L218-S221 PolarHBondContact O-N 3.17Å; I219-S221 VanDerWaalsContact C-N 3.33Å; I219-S221 PolarHBondContact O-N 3.4Å; S221-E223 VanDerWaalsContact C-N 3.28Å; S221-E223 PolarHBondContact O-N 2.8Å; S221-G224 PolarHBondContact O-N 3.08Å; S221-G224 VanDerWaalsContact O-N 3.1Å
222	L	97.1	Very high	96.3	Very high	11 Å²	11	39.7 Å²	39.7	6%	0.058	21%	0.213	C	C	.	.	H	α-helix	trans	-68	-31.2	178.9	-155.3	151.1	0	0	0	111.8	V120 Y161 Y163 H204 L218 I219 E220 G224 L241 F242	V120-L222 HydrophobicContact CG1-CD1 4.3Å; Y161-L222 HydrophobicContact CD1-CD1 4.39Å; Y161-L222 HydrophobicContact CD1-CD2 3.88Å; Y161-L222 HydrophobicContact CE1-CD2 4.29Å; Y161-L222 HydrophobicContact CG-CD1 4.17Å; Y161-L222 HydrophobicContact CG-CD2 4.15Å; Y163-L222 HydrophobicContact CD2-CB 4.37Å; Y163-L222 HydrophobicContact CD2-CD1 4.2Å; Y163-L222 HydrophobicContact CD2-CG 4.5Å; H204-L222 HydrophobicContact CB-CD1 4.45Å; H204-L222 HydrophobicContact CB-CG 4.46Å; L218-L222 HydrophobicContact CD2-CD1 4.47Å; L218-L222 WeakPolarHBondContact O-CB 3.25Å; L218-L222 PolarHBondContact O-N 2.97Å; I219-L222 PolarHBondContact O-N 2.92Å; E220-L222 VanDerWaalsContact C-N 3.34Å; E220-L222 PolarHBondContact O-N 3.41Å; L222-G224 PolarHBondContact O-N 3.29Å; L222-L241 HydrophobicContact CB-CD1 4.09Å; L222-L241 HydrophobicContact CD2-CD1 3.51Å; L222-L241 HydrophobicContact CD2-CD2 3.82Å; L222-L241 HydrophobicContact CD2-CG 4.3Å; L222-L241 HydrophobicContact CG-CD1 4.29Å; L222-F242 HydrophobicContact CD2-CZ 4.27Å
223	E	97.9	Very high	95.9	Very high	38 Å²	38	44.1 Å²	44.1	18%	0.178	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	1.2	172.1	-68.4	177.6	-176.2	0	0	113.9	I219 E220 S221 K225 R230 L241 F242	I219-E223 WeakPolarHBondContact O-CG 3.45Å; I219-E223 PolarHBondContact O-N 2.99Å; E220-E223 PolarHBondContact O-N 2.81Å; S221-E223 VanDerWaalsContact C-N 3.28Å; S221-E223 PolarHBondContact O-N 2.8Å; E223-K225 VanDerWaalsContact C-N 3.33Å; E223-K225 HydrophobicContact CB-CD 4.49Å; E223-K225 IonicContact OE2-NZ 3.29Å; E223-K225 PolarHBondContact OE2-NZ 2.84Å; E223-R230 IonicContact OE1-CZ 2.73Å; E223-R230 IonicContact OE1-NH2 3.33Å; E223-R230 PolarHBondContact OE1-NH2 3.19Å; E223-R230 IonicContact OE2-NH2 3.36Å; E223-R230 PolarHBondContact OE2-NH2 2.71Å; E223-L241 HydrophobicContact CG-CD1 3.77Å; E223-F242 HydrophobicContact CB-CE1 4.31Å; E223-F242 HydrophobicContact CG-CD1 3.8Å; E223-F242 HydrophobicContact CG-CE1 3.88Å; E223-F242 PolarHBondContact OE1-N 3.43Å
224	G	96.8	Very high	95.8	Very high	69 Å²	69	46.1 Å²	46.1	71%	0.711	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.2	13.8	-179.5	0	0	0	0	0	114.2	S221 L222	S221-G224 PolarHBondContact O-N 3.08Å; S221-G224 VanDerWaalsContact O-N 3.1Å; L222-G224 PolarHBondContact O-N 3.29Å
225	K	97.2	Very high	95.8	Very high	108 Å²	108	49.7 Å²	49.7	47%	0.47	27%	0.267	S	S	.	.	S	Bend	trans	-93.9	176.9	173.3	-58.4	167.7	-176.8	159.5	0	110.2	E220 E223	E220-K225 WeakPolarHBondContact O-CB 3.4Å; E220-K225 PolarHBondContact O-N 2.97Å; E220-K225 IonicContact OE1-NZ 3.56Å; E220-K225 PolarHBondContact OE1-NZ 3.1Å; E220-K225 WeakPolarHBondContact OE2-CD 3.25Å; E220-K225 IonicContact OE2-NZ 2.74Å; E223-K225 VanDerWaalsContact C-N 3.33Å; E223-K225 HydrophobicContact CB-CD 4.49Å; E223-K225 IonicContact OE2-NZ 3.29Å; E223-K225 PolarHBondContact OE2-NZ 2.84Å
226	Q	96.4	Very high	95.8	Very high	132 Å²	132	48.2 Å²	48.2	62%	0.617	26%	0.26	S	S	*	.			trans	-64	139.9	168.7	-67.2	-179.3	-16.4	0	0	109.8	K228	Q226-K228 HydrophobicContact CB-CD 4.35Å; Q226-K228 HydrophobicContact CB-CG 4.37Å; Q226-K228 PolarHBondContact O-N 2.84Å
227	G	96.4	Very high	95.7	Very high	13 Å²	13	48.8 Å²	48.8	13%	0.134	27%	0.265	C	S	.	.			trans	-69.9	61.4	176.6	0	0	0	0	0	113.7
228	K	97.3	Very high	95.5	Very high	72 Å²	72	51.7 Å²	51.7	31%	0.313	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-103.9	120.5	178	-79.4	176.6	174.4	165.7	0	108.4	Q226 C385 Q387	Q226-K228 HydrophobicContact CB-CD 4.35Å; Q226-K228 HydrophobicContact CB-CG 4.37Å; Q226-K228 PolarHBondContact O-N 2.84Å; K228-C385 WeakPolarHBondContact CE-O 3.27Å; K228-C385 HydrophobicContact CG-CB 3.93Å; K228-Q387 HydrophobicContact CD-CB 4.33Å; K228-Q387 HydrophobicContact CG-CB 4.28Å
229	P	97	Very high	95.4	Very high	2 Å²	2	55.3 Å²	55.3	1%	0.013	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-53	148.1	-178.9	-25.2	30.4	0	0	0	114	I211 T216 A217 Q387 I430 C431	I211-P229 HydrophobicContact CD1-CG 3.74Å; I211-P229 HydrophobicContact CG1-CG 4.22Å; T216-P229 WeakPolarHBondContact OG1-CA 3.28Å; T216-P229 WeakPolarHBondContact OG1-CB 3.45Å; A217-P229 HydrophobicContact CB-CB 4.48Å; A217-P229 HydrophobicContact CB-CG 3.93Å; P229-Q387 PolarHBondContact O-NE2 2.85Å; P229-Q387 PolarHBondContact O-OE1 3.42Å; P229-I430 HydrophobicContact CB-CG2 3.92Å; P229-C431 HydrophobicContact CB-CB 3.86Å; P229-C431 HydrophobicContact CG-CB 3.72Å
230	R	95.9	Very high	95.3	Very high	47 Å²	47	55.3 Å²	55.3	18%	0.177	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-84.4	147.7	169.9	-61	180	178.7	167.6	4.6	109.4	T216 E220 E223 I239 G240	T216-R230 HydrophobicContact CG2-CB 4.19Å; T216-R230 PolarHBondContact OG1-N 2.88Å; T216-R230 PolarHBondContact OG1-O 2.85Å; E220-R230 HydrophobicContact CG-CG 3.91Å; E220-R230 IonicContact OE1-CZ 2.71Å; E220-R230 IonicContact OE1-NE 2.72Å; E220-R230 PolarHBondContact OE1-NE 2.99Å; E220-R230 IonicContact OE1-NH2 3.25Å; E220-R230 PolarHBondContact OE1-NH2 3.34Å; E223-R230 IonicContact OE1-CZ 2.73Å; E223-R230 IonicContact OE1-NH2 3.33Å; E223-R230 PolarHBondContact OE1-NH2 3.19Å; E223-R230 IonicContact OE2-NH2 3.36Å; E223-R230 PolarHBondContact OE2-NH2 2.71Å; R230-I239 PolarHBondContact NH1-O 2.94Å; R230-G240 PolarHBondContact NH1-O 2.91Å
231	L	93.7	Very high	95.3	Very high	116 Å²	116	53.9 Å²	53.9	61%	0.607	29%	0.293	S	S	*	.	P	Polyproline II helix	trans	-68.3	135.1	168	-167.3	68.6	0	0	0	109.3	P233 I430	L231-P233 CarbonylContact O-C 3.59Å; L231-I430 HydrophobicContact CD1-CG1 4.33Å; L231-I430 HydrophobicContact CD1-CG2 4.4Å
232	K	91.4	Very high	95.2	Very high	70 Å²	70	58 Å²	58	30%	0.304	31%	0.308	S	S	.	.	S	Bend	trans	-99.8	129.8	172.6	-61	174.4	-170.2	176.7	0	107.7	E214 E215 T216 F235	E214-K232 IonicContact OE1-NZ 2.76Å; E214-K232 PolarHBondContact OE1-NZ 3.32Å; E215-K232 IonicContact OE2-NZ 2.71Å; E215-K232 PolarHBondContact OE2-NZ 3.38Å; T216-K232 HydrophobicContact CG2-CD 4.5Å; T216-K232 HydrophobicContact CG2-CG 4.39Å; K232-F235 HydrophobicContact CB-CD1 4.29Å; K232-F235 HydrophobicContact CB-CE1 4.06Å; K232-F235 HydrophobicContact CD-CD1 4.27Å; K232-F235 HydrophobicContact CD-CE1 4.31Å; K232-F235 HydrophobicContact CG-CD1 4.42Å
233	P	89.5	Confident	95.1	Very high	100 Å²	100	58.8 Å²	58.8	65%	0.649	32%	0.319	S	S	*	.	S	Bend	cis	-74.2	160.8	-4.8	31.5	-35.5	0	0	0	114.1	L231 F235	L231-P233 CarbonylContact O-C 3.59Å; P233-F235 HydrophobicContact CB-CE2 4.46Å
234	P	91	Very high	95.1	Very high	59 Å²	59	57.5 Å²	57.5	38%	0.383	31%	0.314	S	S	.	.	S	Bend	cis	-78.7	147.1	7.8	31.8	-35	0	0	0	113.5	I239	P234-I239 HydrophobicContact CB-CB 4.12Å; P234-I239 HydrophobicContact CB-CD1 4.15Å; P234-I239 HydrophobicContact CB-CG1 4.27Å; P234-I239 HydrophobicContact CG-CB 4.14Å; P234-I239 HydrophobicContact CG-CD1 4.25Å
235	F	94	Very high	95.1	Very high	114 Å²	114	54.8 Å²	54.8	50%	0.5	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-77.9	151	174.6	-67.9	-77.8	0	0	0	110.6	K232 P233 A237 D238 I239	K232-F235 HydrophobicContact CB-CD1 4.29Å; K232-F235 HydrophobicContact CB-CE1 4.06Å; K232-F235 HydrophobicContact CD-CD1 4.27Å; K232-F235 HydrophobicContact CD-CE1 4.31Å; K232-F235 HydrophobicContact CG-CD1 4.42Å; P233-F235 HydrophobicContact CB-CE2 4.46Å; F235-A237 PolarHBondContact O-N 3.02Å; F235-A237 VanDerWaalsContact O-N 3.11Å; F235-D238 PolarHBondContact O-N 2.89Å; F235-I239 PolarHBondContact O-N 3.07Å
236	P	94.2	Very high	95.1	Very high	8 Å²	8	49.6 Å²	49.6	5%	0.052	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-32.7	177.8	-30.1	37	0	0	0	114.3	E215 T216 I219 D238 I239 G240 T246	E215-P236 HydrophobicContact CG-CG 3.79Å; T216-P236 HydrophobicContact CG2-CG 3.97Å; I219-P236 HydrophobicContact CD1-CB 3.82Å; I219-P236 HydrophobicContact CD1-CG 4.03Å; P236-D238 PolarHBondContact O-N 3.42Å; P236-I239 CarbonylContact O-C 3.49Å; P236-G240 WeakPolarHBondContact O-CA 3.31Å; P236-G240 PolarHBondContact O-N 3.05Å; P236-T246 CarbonylContact C-O 3.6Å; P236-T246 VanDerWaalsContact CB-O 3.28Å; P236-T246 WeakPolarHBondContact CB-O 3.21Å; P236-T246 PolarHBondContact O-N 3.04Å
237	A	94.3	Very high	95.2	Very high	14 Å²	14	43.5 Å²	43.5	12%	0.116	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-19.5	177.9	0	0	0	0	0	113.4	F107 M108 F235 P245 T246	F107-A237 HydrophobicContact CB-CB 3.95Å; M108-A237 HydrophobicContact SD-CB 4.14Å; F235-A237 PolarHBondContact O-N 3.02Å; F235-A237 VanDerWaalsContact O-N 3.11Å; A237-P245 WeakPolarHBondContact O-CB 3.32Å; A237-T246 WeakPolarHBondContact CA-O 3.26Å; A237-T246 PolarHBondContact N-O 2.72Å
238	D	93.5	Very high	95.2	Very high	61 Å²	61	43.1 Å²	43.1	33%	0.326	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.7	-49.7	174.7	-60.1	-47.3	0	0	0	111.5	K110 R115 F235 P236	K110-D238 IonicContact NZ-OD1 2.78Å; K110-D238 PolarHBondContact NZ-OD1 3.22Å; R115-D238 PolarHBondContact NH1-O 2.93Å; R115-D238 PolarHBondContact NH2-O 3.05Å; F235-D238 PolarHBondContact O-N 2.89Å; P236-D238 PolarHBondContact O-N 3.42Å
239	I	95.2	Very high	95.2	Very high	77 Å²	77	40.1 Å²	40.1	40%	0.395	22%	0.216	S	C	.	.	S	Bend	trans	-138.8	92.7	-179.1	-53.6	-180	0	0	0	108.8	R230 P234 F235 P236	R230-I239 PolarHBondContact NH1-O 2.94Å; P234-I239 HydrophobicContact CB-CB 4.12Å; P234-I239 HydrophobicContact CB-CD1 4.15Å; P234-I239 HydrophobicContact CB-CG1 4.27Å; P234-I239 HydrophobicContact CG-CB 4.14Å; P234-I239 HydrophobicContact CG-CD1 4.25Å; F235-I239 PolarHBondContact O-N 3.07Å; P236-I239 CarbonylContact O-C 3.49Å
240	G	96.6	Very high	95.3	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.219	C	C	.	.			trans	-113	-127.2	179.1	0	0	0	0	0	112.2	R230 P236 F242 G243 C244	R230-G240 PolarHBondContact NH1-O 2.91Å; P236-G240 WeakPolarHBondContact O-CA 3.31Å; P236-G240 PolarHBondContact O-N 3.05Å; G240-F242 PolarHBondContact O-N 2.96Å; G240-G243 PolarHBondContact O-N 3.01Å; G240-G243 VanDerWaalsContact O-N 3.1Å; G240-C244 CarbonylContact C-O 3.56Å; G240-C244 VanDerWaalsContact CA-O 3.24Å; G240-C244 WeakPolarHBondContact CA-O 3.23Å; G240-C244 PolarHBondContact N-O 2.82Å
241	L	97.3	Very high	95.4	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-61.3	125.6	-175.8	177.7	62.1	0	0	0	111.9	Y118 V120 Y161 I219 L222 E223 G243 C244 T246	Y118-L241 HydrophobicContact CD2-CB 4.22Å; Y118-L241 HydrophobicContact CD2-CD2 4.16Å; Y118-L241 HydrophobicContact CD2-CG 4.25Å; Y118-L241 HydrophobicContact CG-CD2 4.13Å; V120-L241 HydrophobicContact CG2-CB 4.46Å; V120-L241 HydrophobicContact CG2-CD2 3.9Å; Y161-L241 HydrophobicContact CD2-CD2 3.46Å; Y161-L241 VanDerWaalsContact CD2-CD2 3.46Å; Y161-L241 HydrophobicContact CE2-CD2 3.64Å; Y161-L241 HydrophobicContact CG-CD2 4.08Å; I219-L241 HydrophobicContact CG2-CB 4.32Å; L222-L241 HydrophobicContact CB-CD1 4.09Å; L222-L241 HydrophobicContact CD2-CD1 3.51Å; L222-L241 HydrophobicContact CD2-CD2 3.82Å; L222-L241 HydrophobicContact CD2-CG 4.3Å; L222-L241 HydrophobicContact CG-CD1 4.29Å; E223-L241 HydrophobicContact CG-CD1 3.77Å; L241-G243 PolarHBondContact O-N 3.47Å; L241-C244 WeakPolarHBondContact O-CB 3.45Å; L241-C244 PolarHBondContact O-N 3.11Å; L241-T246 HydrophobicContact CB-CG2 4.07Å; L241-T246 WeakPolarHBondContact CB-OG1 3.44Å; L241-T246 PolarHBondContact N-OG1 3.11Å
242	F	97	Very high	95.6	Very high	107 Å²	107	33 Å²	33	47%	0.469	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	54.3	31.1	-175	-52.6	-56.3	0	0	0	112.9	Y118 L222 E223 G240 C244	Y118-F242 HydrophobicContact CE2-CD2 4.2Å; L222-F242 HydrophobicContact CD2-CZ 4.27Å; E223-F242 HydrophobicContact CB-CE1 4.31Å; E223-F242 HydrophobicContact CG-CD1 3.8Å; E223-F242 HydrophobicContact CG-CE1 3.88Å; E223-F242 PolarHBondContact OE1-N 3.43Å; G240-F242 PolarHBondContact O-N 2.96Å; F242-C244 PolarHBondContact O-N 3.28Å
243	G	95.3	Very high	95.9	Very high	27 Å²	27	29.7 Å²	29.7	28%	0.278	17%	0.168	S	C	.	.	G	3₁₀ helix	trans	70.3	11.9	-175.1	0	0	0	0	0	114.4	R115 G240 L241	R115-G243 PolarHBondContact NH1-O 3.41Å; G240-G243 PolarHBondContact O-N 3.01Å; G240-G243 VanDerWaalsContact O-N 3.1Å; L241-G243 PolarHBondContact O-N 3.47Å
244	C	96.6	Very high	96.4	Very high	12 Å²	12	25 Å²	25	8%	0.081	14%	0.137	C	C	.	.	S	Bend	trans	-99.9	152.5	-178.4	-63.2	0	0	0	0	111.9	P116 Y118 G240 L241 F242 T246	P116-C244 VanDerWaalsContact O-CB 3.26Å; P116-C244 WeakPolarHBondContact O-CB 3.23Å; Y118-C244 HydrophobicContact CD2-CB 3.76Å; Y118-C244 HydrophobicContact CE2-CB 3.71Å; G240-C244 CarbonylContact C-O 3.56Å; G240-C244 VanDerWaalsContact CA-O 3.24Å; G240-C244 WeakPolarHBondContact CA-O 3.23Å; G240-C244 PolarHBondContact N-O 2.82Å; L241-C244 WeakPolarHBondContact O-CB 3.45Å; L241-C244 PolarHBondContact O-N 3.11Å; F242-C244 PolarHBondContact O-N 3.28Å; C244-T246 PolarHBondContact O-N 3.03Å; C244-T246 PolarHBondContact O-OG1 2.93Å
245	P	97.1	Very high	96.7	Very high	11 Å²	11	22.1 Å²	22.1	7%	0.071	12%	0.118	C	C	.	.			trans	-54.3	124.1	175	-26.5	36.8	0	0	0	111	M108 K117 Y118 A237	M108-P245 HydrophobicContact CE-CB 3.76Å; M108-P245 WeakPolarHBondContact CE-O 3.49Å; M108-P245 HydrophobicContact SD-CB 4.03Å; K117-P245 WeakPolarHBondContact CA-O 3.31Å; K117-P245 HydrophobicContact CG-CB 4.16Å; K117-P245 HydrophobicContact CG-CG 4.47Å; Y118-P245 PolarHBondContact N-O 3.05Å; A237-P245 WeakPolarHBondContact O-CB 3.32Å
246	T	97.6	Very high	96.9	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	139.2	-173.8	-55.3	0	0	0	0	111.7	Y118 V120 I219 P236 A237 L241 C244	Y118-T246 VanDerWaalsContact O-CA 3.28Å; Y118-T246 WeakPolarHBondContact O-CA 3.34Å; V120-T246 HydrophobicContact CB-CG2 4.12Å; V120-T246 HydrophobicContact CG2-CG2 3.46Å; V120-T246 VanDerWaalsContact CG2-CG2 3.46Å; I219-T246 HydrophobicContact CD1-CG2 4.48Å; P236-T246 CarbonylContact C-O 3.6Å; P236-T246 VanDerWaalsContact CB-O 3.28Å; P236-T246 WeakPolarHBondContact CB-O 3.21Å; P236-T246 PolarHBondContact O-N 3.04Å; A237-T246 WeakPolarHBondContact CA-O 3.26Å; A237-T246 PolarHBondContact N-O 2.72Å; L241-T246 HydrophobicContact CB-CG2 4.07Å; L241-T246 WeakPolarHBondContact CB-OG1 3.44Å; L241-T246 PolarHBondContact N-OG1 3.11Å; C244-T246 PolarHBondContact O-N 3.03Å; C244-T246 PolarHBondContact O-OG1 2.93Å
247	T	97.3	Very high	97.1	Very high	3 Å²	3	16.3 Å²	16.3	2%	0.018	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	127.3	165.9	-72.6	0	0	0	0	110.1	K104 M108 Y118 V120 M155	K104-T247 HydrophobicContact CD-CG2 4.21Å; K104-T247 HydrophobicContact CG-CG2 4.23Å; M108-T247 WeakPolarHBondContact CG-OG1 3.29Å; Y118-T247 PolarHBondContact O-N 2.66Å; V120-T247 PolarHBondContact N-O 3.31Å; M155-T247 VanDerWaalsContact SD-CB 3.5Å; M155-T247 HydrophobicContact SD-CG2 3.69Å
248	V	97.5	Very high	97.3	Very high	5 Å²	5	15.7 Å²	15.7	3%	0.03	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	133.1	170.2	-174.6	0	0	0	0	109.4	K104 V120 N122 E215 L218 I219	K104-V248 WeakPolarHBondContact CE-O 3.41Å; K104-V248 PolarHBondContact NZ-O 2.83Å; V120-V248 HydrophobicContact CB-CG2 4.09Å; V120-V248 HydrophobicContact CG1-CG2 4.33Å; V120-V248 CarbonylContact O-C 3.5Å; V120-V248 VanDerWaalsContact O-CA 3.25Å; V120-V248 WeakPolarHBondContact O-CA 3.4Å; N122-V248 HydrophobicContact CB-CG1 3.86Å; E215-V248 HydrophobicContact CB-CB 4.14Å; E215-V248 HydrophobicContact CB-CG1 4.35Å; E215-V248 HydrophobicContact CB-CG2 4.37Å; E215-V248 HydrophobicContact CG-CB 3.75Å; E215-V248 HydrophobicContact CG-CG1 4.48Å; E215-V248 HydrophobicContact CG-CG2 3.74Å; L218-V248 HydrophobicContact CD1-CG1 4.36Å; I219-V248 HydrophobicContact CD1-CG2 3.9Å; I219-V248 HydrophobicContact CG1-CG2 4.02Å
249	T	97.6	Very high	97.6	Very high	10 Å²	10	13.5 Å²	13.5	6%	0.061	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	142.4	-178.9	173.5	0	0	0	0	111	L119 V120 I121 N122 V254	L119-T249 HydrophobicContact CD1-CG2 3.5Å; L119-T249 VanDerWaalsContact CD1-CG2 3.5Å; V120-T249 PolarHBondContact O-N 3.39Å; I121-T249 WeakPolarHBondContact CA-O 3.35Å; I121-T249 HydrophobicContact CD1-CG2 4.1Å; N122-T249 PolarHBondContact N-O 3.3Å; T249-V254 HydrophobicContact CG2-CG2 3.12Å; T249-V254 WeakPolarHBondContact OG1-CG2 3.41Å
250	N	97.9	Very high	97.7	Very high	14 Å²	14	9.9 Å²	9.9	8%	0.075	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	148.9	-179	-170.1	56	0	0	0	111.8	N122 K132 D133 E252 T253 V254	N122-N250 PolarHBondContact O-OD1 2.88Å; K132-N250 PolarHBondContact NZ-ND2 3.39Å; D133-N250 PolarHBondContact OD1-ND2 2.64Å; D133-N250 PolarHBondContact OD2-ND2 3.28Å; D133-N250 PolarHBondContact OD2-OD1 3.42Å; N250-E252 PolarHBondContact ND2-N 3.29Å; N250-E252 PolarHBondContact O-N 3.42Å; N250-T253 WeakPolarHBondContact O-CB 3.39Å; N250-T253 PolarHBondContact O-N 3.44Å; N250-T253 VanDerWaalsContact O-N 3.09Å; N250-V254 PolarHBondContact O-N 3.21Å
251	V	98.5	Very high	97.8	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-45.1	-57.5	175.5	166.6	0	0	0	0	111.8	I121 N122 A123 D133 I136 L144 T253 V254 A255	I121-V251 HydrophobicContact CG2-CB 4.41Å; I121-V251 HydrophobicContact CG2-CG2 3.6Å; N122-V251 PolarHBondContact O-N 3.09Å; A123-V251 HydrophobicContact CB-CG2 3.38Å; D133-V251 HydrophobicContact CB-CB 3.91Å; D133-V251 HydrophobicContact CB-CG1 4.18Å; D133-V251 HydrophobicContact CB-CG2 4.24Å; D133-V251 WeakPolarHBondContact OD1-CB 3.22Å; I136-V251 HydrophobicContact CB-CG1 3.83Å; I136-V251 HydrophobicContact CD1-CG1 3.75Å; I136-V251 HydrophobicContact CG1-CG1 4.4Å; I136-V251 HydrophobicContact CG2-CG1 3.66Å; L144-V251 HydrophobicContact CD1-CB 4.42Å; L144-V251 HydrophobicContact CD1-CG1 4.09Å; L144-V251 HydrophobicContact CD1-CG2 4.48Å; L144-V251 HydrophobicContact CD2-CB 4.48Å; L144-V251 HydrophobicContact CD2-CG1 3.9Å; L144-V251 HydrophobicContact CD2-CG2 3.97Å; L144-V251 HydrophobicContact CG-CG1 4.46Å; V251-T253 VanDerWaalsContact C-N 3.31Å; V251-T253 PolarHBondContact O-N 3.18Å; V251-V254 PolarHBondContact O-N 2.86Å; V251-V254 VanDerWaalsContact O-N 3.11Å; V251-A255 VanDerWaalsContact O-CB 3.25Å; V251-A255 WeakPolarHBondContact O-CB 2.92Å; V251-A255 PolarHBondContact O-N 2.97Å
252	E	98.6	Very high	97.9	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-56.2	-41.7	-178.5	-173.5	-174.4	174	0	0	113.1	F48 R94 K132 D133 I136 N250 V254 A255 V256 K280 L281	F48-E252 HydrophobicContact CE2-CG 4.04Å; F48-E252 HydrophobicContact CZ-CG 3.95Å; R94-E252 HydrophobicContact CB-CB 3.82Å; R94-E252 HydrophobicContact CB-CG 3.89Å; R94-E252 WeakPolarHBondContact CB-OE2 3.48Å; R94-E252 HydrophobicContact CG-CB 4.33Å; R94-E252 HydrophobicContact CG-CG 3.95Å; K132-E252 VanDerWaalsContact CD-OE2 3.27Å; K132-E252 WeakPolarHBondContact CD-OE2 3.37Å; K132-E252 WeakPolarHBondContact CE-OE2 3.38Å; K132-E252 IonicContact NZ-OE2 2.75Å; K132-E252 PolarHBondContact NZ-OE2 3.27Å; D133-E252 PolarHBondContact OD1-N 3.43Å; I136-E252 HydrophobicContact CD1-CB 4.01Å; I136-E252 HydrophobicContact CD1-CG 4.4Å; N250-E252 PolarHBondContact ND2-N 3.29Å; N250-E252 PolarHBondContact O-N 3.42Å; E252-V254 VanDerWaalsContact C-N 3.3Å; E252-V254 PolarHBondContact O-N 3.24Å; E252-A255 PolarHBondContact O-N 2.76Å; E252-V256 WeakPolarHBondContact O-CG1 3.47Å; E252-V256 WeakPolarHBondContact O-CG2 3.44Å; E252-V256 PolarHBondContact O-N 3.1Å; E252-V256 VanDerWaalsContact O-N 3.16Å; E252-K280 WeakPolarHBondContact OE1-CD 3.5Å; E252-K280 IonicContact OE1-NZ 2.83Å; E252-K280 PolarHBondContact OE1-NZ 2.97Å; E252-K280 IonicContact OE2-NZ 2.73Å; E252-K280 PolarHBondContact OE2-NZ 3.5Å; E252-L281 HydrophobicContact CG-CD1 4.28Å; E252-L281 PolarHBondContact OE1-N 2.84Å
253	T	98.3	Very high	97.9	Very high	2 Å²	2	13.3 Å²	13.3	1%	0.012	7%	0.068	C	C	.	.	H	α-helix	trans	-63.2	-38.4	-179.8	-47.7	0	0	0	0	111.7	L91 R94 S101 N250 V251 V256	L91-T253 HydrophobicContact CD2-CG2 3.89Å; L91-T253 HydrophobicContact CG-CG2 4.36Å; R94-T253 WeakPolarHBondContact CB-OG1 3.4Å; R94-T253 PolarHBondContact N-OG1 3.38Å; S101-T253 WeakPolarHBondContact OG-CG2 3Å; N250-T253 WeakPolarHBondContact O-CB 3.39Å; N250-T253 PolarHBondContact O-N 3.44Å; N250-T253 VanDerWaalsContact O-N 3.09Å; V251-T253 VanDerWaalsContact C-N 3.31Å; V251-T253 PolarHBondContact O-N 3.18Å; T253-V256 WeakPolarHBondContact O-CG2 3.44Å
254	V	98.3	Very high	98	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-78.3	-41.9	179.9	175.6	0	0	0	0	110.9	I121 L144 G147 A151 T249 N250 V251 E252 V256 S257 P258	I121-V254 HydrophobicContact CD1-CB 4.15Å; I121-V254 HydrophobicContact CD1-CG1 3.95Å; I121-V254 HydrophobicContact CD1-CG2 3.71Å; L144-V254 HydrophobicContact CD1-CB 4.2Å; L144-V254 HydrophobicContact CD1-CG1 4.12Å; G147-V254 WeakPolarHBondContact CA-O 3.11Å; G147-V254 WeakPolarHBondContact O-CG1 3.35Å; A151-V254 HydrophobicContact CB-CG1 4.25Å; T249-V254 HydrophobicContact CG2-CG2 3.12Å; T249-V254 WeakPolarHBondContact OG1-CG2 3.41Å; N250-V254 PolarHBondContact O-N 3.21Å; V251-V254 PolarHBondContact O-N 2.86Å; V251-V254 VanDerWaalsContact O-N 3.11Å; E252-V254 VanDerWaalsContact C-N 3.3Å; E252-V254 PolarHBondContact O-N 3.24Å; V254-V256 VanDerWaalsContact C-N 3.29Å; V254-V256 PolarHBondContact O-N 3.45Å; V254-S257 VanDerWaalsContact O-CB 3.32Å; V254-S257 WeakPolarHBondContact O-CB 3.45Å; V254-S257 PolarHBondContact O-N 2.72Å; V254-S257 VanDerWaalsContact O-N 3.07Å; V254-S257 PolarHBondContact O-OG 3.11Å; V254-P258 WeakPolarHBondContact O-CD 3.19Å
255	A	98.5	Very high	98.1	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-67.7	-25.7	-175.4	0	0	0	0	0	113.5	F48 I136 T143 L144 V251 E252 P258	F48-A255 HydrophobicContact CE1-CB 3.77Å; F48-A255 HydrophobicContact CZ-CB 4.21Å; I136-A255 HydrophobicContact CD1-CB 4.48Å; I136-A255 HydrophobicContact CG2-CB 4.11Å; T143-A255 HydrophobicContact CG2-CB 4.03Å; T143-A255 PolarHBondContact OG1-O 2.72Å; L144-A255 HydrophobicContact CB-CB 4.33Å; L144-A255 HydrophobicContact CD1-CB 4.35Å; V251-A255 VanDerWaalsContact O-CB 3.25Å; V251-A255 WeakPolarHBondContact O-CB 2.92Å; V251-A255 PolarHBondContact O-N 2.97Å; E252-A255 PolarHBondContact O-N 2.76Å; A255-P258 WeakPolarHBondContact O-CD 3.41Å
256	V	98.4	Very high	98.1	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-21.8	172.6	-62.2	0	0	0	0	113.5	I47 F48 L91 E252 T253 V254 P258 T259 I260	I47-V256 HydrophobicContact CD1-CB 3.95Å; I47-V256 HydrophobicContact CD1-CG1 3.82Å; I47-V256 HydrophobicContact CG2-CB 4.45Å; I47-V256 HydrophobicContact CG2-CG1 4.15Å; F48-V256 HydrophobicContact CE2-CG1 3.72Å; F48-V256 HydrophobicContact CZ-CG1 3.53Å; L91-V256 HydrophobicContact CD1-CG2 3.98Å; L91-V256 HydrophobicContact CD2-CG2 3.87Å; E252-V256 WeakPolarHBondContact O-CG1 3.47Å; E252-V256 WeakPolarHBondContact O-CG2 3.44Å; E252-V256 PolarHBondContact O-N 3.1Å; E252-V256 VanDerWaalsContact O-N 3.16Å; T253-V256 WeakPolarHBondContact O-CG2 3.44Å; V254-V256 VanDerWaalsContact C-N 3.29Å; V254-V256 PolarHBondContact O-N 3.45Å; V256-P258 VanDerWaalsContact C-CD 3.44Å; V256-T259 PolarHBondContact O-N 2.84Å; V256-I260 HydrophobicContact CB-CD1 4.24Å; V256-I260 HydrophobicContact CG2-CD1 3.82Å; V256-I260 WeakPolarHBondContact O-CG1 3.38Å; V256-I260 PolarHBondContact O-N 2.84Å
257	S	98.3	Very high	98.1	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-61.1	-36.1	-171.3	71.9	0	0	0	0	115.2	V254 I260 C261	V254-S257 VanDerWaalsContact O-CB 3.32Å; V254-S257 WeakPolarHBondContact O-CB 3.45Å; V254-S257 PolarHBondContact O-N 2.72Å; V254-S257 VanDerWaalsContact O-N 3.07Å; V254-S257 PolarHBondContact O-OG 3.11Å; S257-I260 PolarHBondContact O-N 3.29Å; S257-C261 PolarHBondContact O-N 2.71Å; S257-C261 PolarHBondContact O-SG 3.46Å
258	P	98.6	Very high	98.2	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-62.4	-44.8	174.4	-22.1	35.2	0	0	0	112.5	E146 G147 I150 V254 A255 V256 C261 R262	E146-P258 HydrophobicContact CB-CG 4.05Å; E146-P258 HydrophobicContact CG-CB 3.84Å; E146-P258 HydrophobicContact CG-CG 3.77Å; E146-P258 WeakPolarHBondContact OE2-CB 3.36Å; G147-P258 VanDerWaalsContact CA-CG 3.46Å; G147-P258 VanDerWaalsContact N-CG 3.33Å; I150-P258 HydrophobicContact CD1-CB 3.64Å; I150-P258 HydrophobicContact CD1-CG 3.95Å; V254-P258 WeakPolarHBondContact O-CD 3.19Å; A255-P258 WeakPolarHBondContact O-CD 3.41Å; V256-P258 VanDerWaalsContact C-CD 3.44Å; P258-C261 PolarHBondContact O-N 2.75Å; P258-R262 WeakPolarHBondContact O-CG 3.38Å; P258-R262 PolarHBondContact O-N 2.67Å
259	T	98.5	Very high	98.2	Very high	16 Å²	16	19.1 Å²	19.1	10%	0.098	10%	0.095	C	C	.	.	H	α-helix	trans	-68.4	-37.4	-178.9	-57.9	0	0	0	0	111.3	I47 V256 R262 R263 W267	I47-T259 HydrophobicContact CD1-CG2 4.49Å; I47-T259 HydrophobicContact CG1-CG2 4.03Å; I47-T259 HydrophobicContact CG2-CG2 4.16Å; V256-T259 PolarHBondContact O-N 2.84Å; T259-R262 PolarHBondContact O-N 2.85Å; T259-R263 HydrophobicContact CG2-CG 4.01Å; T259-R263 WeakPolarHBondContact O-CB 3.37Å; T259-R263 PolarHBondContact O-N 2.82Å; T259-W267 HydrophobicContact CG2-CH2 4.32Å; T259-W267 HydrophobicContact CG2-CZ3 4.1Å
260	I	98.5	Very high	98.1	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-59.6	-47.2	171.2	-66.5	171.1	0	0	0	110.6	I86 L91 V256 S257 R262 G264 F268	I86-I260 HydrophobicContact CD1-CB 4.15Å; I86-I260 HydrophobicContact CD1-CD1 4.33Å; I86-I260 HydrophobicContact CD1-CG2 3.9Å; L91-I260 HydrophobicContact CB-CD1 4.37Å; L91-I260 HydrophobicContact CD1-CD1 4.48Å; L91-I260 HydrophobicContact CD2-CD1 3.95Å; V256-I260 HydrophobicContact CB-CD1 4.24Å; V256-I260 HydrophobicContact CG2-CD1 3.82Å; V256-I260 WeakPolarHBondContact O-CG1 3.38Å; V256-I260 PolarHBondContact O-N 2.84Å; S257-I260 PolarHBondContact O-N 3.29Å; I260-R262 VanDerWaalsContact C-N 3.28Å; I260-R262 PolarHBondContact O-N 3.47Å; I260-G264 CarbonylContact O-C 3.55Å; I260-G264 VanDerWaalsContact O-C 3.26Å; I260-G264 VanDerWaalsContact O-CA 3.23Å; I260-G264 WeakPolarHBondContact O-CA 3.42Å; I260-G264 PolarHBondContact O-N 2.77Å; I260-F268 HydrophobicContact CD1-CD1 3.94Å; I260-F268 HydrophobicContact CD1-CD2 4.07Å; I260-F268 HydrophobicContact CD1-CE1 4Å; I260-F268 HydrophobicContact CD1-CE2 4.14Å; I260-F268 HydrophobicContact CD1-CG 3.94Å; I260-F268 HydrophobicContact CD1-CZ 4.09Å; I260-F268 HydrophobicContact CG1-CB 4.07Å; I260-F268 HydrophobicContact CG1-CD1 4.33Å; I260-F268 HydrophobicContact CG1-CD2 3.85Å; I260-F268 HydrophobicContact CG1-CE2 4.32Å; I260-F268 HydrophobicContact CG1-CG 3.83Å
261	C	98.5	Very high	98.1	Very high	9 Å²	9	21.7 Å²	21.7	6%	0.061	11%	0.113	C	C	.	.	H	α-helix	trans	-65.1	-31.2	178.4	-66	0	0	0	0	112.7	I74 W81 S257 P258	I74-C261 HydrophobicContact CD1-CB 3.94Å; I74-C261 HydrophobicContact CG1-CB 4.31Å; I74-C261 HydrophobicContact CG2-CB 4.01Å; W81-C261 HydrophobicContact CH2-CB 4.25Å; W81-C261 HydrophobicContact CZ3-CB 4.14Å; S257-C261 PolarHBondContact O-N 2.71Å; S257-C261 PolarHBondContact O-SG 3.46Å; P258-C261 PolarHBondContact O-N 2.75Å
262	R	98.3	Very high	98	Very high	61 Å²	61	21.7 Å²	21.7	23%	0.23	11%	0.113	C	C	.	.	H	α-helix	trans	-78.3	-49.3	178.6	-79.6	-170.7	-75.2	-87.9	9.5	113.6	Y69 I74 E146 P258 T259 I260	Y69-R262 WeakPolarHBondContact O-CD 3.4Å; I74-R262 HydrophobicContact CD1-CG 3.7Å; E146-R262 IonicContact OE1-CZ 3.3Å; E146-R262 IonicContact OE1-NH1 3.77Å; E146-R262 PolarHBondContact OE1-NH1 3.02Å; E146-R262 IonicContact OE2-CZ 3.5Å; E146-R262 IonicContact OE2-NH1 3.67Å; E146-R262 PolarHBondContact OE2-NH1 2.98Å; E146-R262 IonicContact OE2-NH2 3.65Å; E146-R262 PolarHBondContact OE2-NH2 2.94Å; P258-R262 WeakPolarHBondContact O-CG 3.38Å; P258-R262 PolarHBondContact O-N 2.67Å; T259-R262 PolarHBondContact O-N 2.85Å; I260-R262 VanDerWaalsContact C-N 3.28Å; I260-R262 PolarHBondContact O-N 3.47Å
263	R	97.8	Very high	97.9	Very high	110 Å²	110	24.5 Å²	24.5	42%	0.415	12%	0.123	S	C	.	.	H	α-helix	trans	-86.5	-15.3	-175.8	-58.7	-165.6	94.5	-178.6	11	112.8	E44 D45 T259 W267	E44-R263 PolarHBondContact O-NH1 2.87Å; E44-R263 PolarHBondContact O-NH2 3.08Å; D45-R263 IonicContact OD1-NH1 2.86Å; T259-R263 HydrophobicContact CG2-CG 4.01Å; T259-R263 WeakPolarHBondContact O-CB 3.37Å; T259-R263 PolarHBondContact O-N 2.82Å; R263-W267 HydrophobicContact CB-CB 4.43Å; R263-W267 HydrophobicContact CB-CD2 3.79Å; R263-W267 HydrophobicContact CB-CE3 3.53Å; R263-W267 HydrophobicContact CB-CG 4.19Å; R263-W267 HydrophobicContact CB-CZ3 4.14Å; R263-W267 HydrophobicContact CG-CE3 4.25Å; R263-W267 HydrophobicContact CG-CZ3 4.43Å; R263-W267 VanDerWaalsContact NH1-CE2 3.3Å
264	G	97.6	Very high	97.7	Very high	18 Å²	18	31 Å²	31	19%	0.186	15%	0.154	C	C	.	.			trans	96.5	144.6	-179.2	0	0	0	0	0	112.3	I260 D266 W267 F268	I260-G264 CarbonylContact O-C 3.55Å; I260-G264 VanDerWaalsContact O-C 3.26Å; I260-G264 VanDerWaalsContact O-CA 3.23Å; I260-G264 WeakPolarHBondContact O-CA 3.42Å; I260-G264 PolarHBondContact O-N 2.77Å; G264-D266 VanDerWaalsContact C-N 3.26Å; G264-D266 PolarHBondContact O-N 2.9Å; G264-W267 PolarHBondContact O-N 2.83Å; G264-F268 PolarHBondContact O-N 3.09Å
265	G	97.7	Very high	97.5	Very high	0 Å²	0	39 Å²	39	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-62.5	-32.2	176.9	0	0	0	0	0	112.9	E85 S89 W267 F268 A269	E85-G265 WeakPolarHBondContact OE2-CA 3.25Å; E85-G265 PolarHBondContact OE2-N 2.7Å; S89-G265 WeakPolarHBondContact CA-O 3.44Å; G265-W267 VanDerWaalsContact C-N 3.32Å; G265-W267 PolarHBondContact O-N 2.86Å; G265-F268 PolarHBondContact O-N 2.92Å; G265-A269 VanDerWaalsContact O-CB 3.24Å; G265-A269 WeakPolarHBondContact O-CB 3.21Å; G265-A269 PolarHBondContact O-N 3.41Å
266	D	98	Very high	97.3	Very high	100 Å²	100	39 Å²	39	54%	0.535	18%	0.184	S	C	.	.	H	α-helix	trans	-60.9	-39.5	175.9	-68.6	-38.7	0	0	0	112.4	K88 G264 A269 S270	K88-D266 WeakPolarHBondContact CE-OD1 3.48Å; K88-D266 WeakPolarHBondContact CE-OD2 3.45Å; K88-D266 IonicContact NZ-OD1 2.66Å; K88-D266 IonicContact NZ-OD2 2.84Å; K88-D266 PolarHBondContact NZ-OD2 3.19Å; G264-D266 VanDerWaalsContact C-N 3.26Å; G264-D266 PolarHBondContact O-N 2.9Å; D266-A269 CarbonylContact O-C 3.58Å; D266-A269 PolarHBondContact O-N 3.06Å; D266-S270 PolarHBondContact O-N 3.35Å
267	W	98.3	Very high	97.3	Very high	42 Å²	42	41.5 Å²	41.5	16%	0.159	19%	0.193	C	C	.	.	H	α-helix	trans	-62	-48	176.4	166.1	79.2	0	0	0	110.3	D45 I47 T259 R263 G264 G265 A269 S270 F271	D45-W267 HydrophobicContact CB-CZ2 4.22Å; D45-W267 WeakPolarHBondContact O-CZ2 3.19Å; D45-W267 PolarHBondContact OD1-NE1 3.25Å; I47-W267 HydrophobicContact CD1-CH2 4.05Å; I47-W267 HydrophobicContact CD1-CZ3 4.14Å; I47-W267 HydrophobicContact CG1-CH2 3.75Å; I47-W267 HydrophobicContact CG1-CZ3 4.26Å; T259-W267 HydrophobicContact CG2-CH2 4.32Å; T259-W267 HydrophobicContact CG2-CZ3 4.1Å; R263-W267 HydrophobicContact CB-CB 4.43Å; R263-W267 HydrophobicContact CB-CD2 3.79Å; R263-W267 HydrophobicContact CB-CE3 3.53Å; R263-W267 HydrophobicContact CB-CG 4.19Å; R263-W267 HydrophobicContact CB-CZ3 4.14Å; R263-W267 HydrophobicContact CG-CE3 4.25Å; R263-W267 HydrophobicContact CG-CZ3 4.43Å; R263-W267 VanDerWaalsContact NH1-CE2 3.3Å; G264-W267 PolarHBondContact O-N 2.83Å; G265-W267 VanDerWaalsContact C-N 3.32Å; G265-W267 PolarHBondContact O-N 2.86Å; W267-A269 VanDerWaalsContact C-N 3.32Å; W267-A269 PolarHBondContact O-N 3.08Å; W267-S270 WeakPolarHBondContact O-CB 3.39Å; W267-S270 PolarHBondContact O-N 3.42Å; W267-S270 VanDerWaalsContact O-N 3.15Å; W267-S270 PolarHBondContact O-OG 3.2Å; W267-F271 HydrophobicContact CD2-CE2 4.14Å; W267-F271 AromaticContact CE2-CE2 3.56Å; W267-F271 HydrophobicContact CG-CE2 4.46Å; W267-F271 HydrophobicContact CH2-CE2 4.45Å; W267-F271 AromaticContact CZ2-CE2 3.72Å; W267-F271 HydrophobicContact CZ2-CE2 3.72Å; W267-F271 HydrophobicContact CZ2-CZ 4.29Å; W267-F271 AromaticContact NE1-CE2 3.61Å; W267-F271 AromaticContact NE1-CZ 3.77Å; W267-F271 WeakPolarHBondContact O-CD2 3.08Å; W267-F271 WeakPolarHBondContact O-CE2 3.4Å
268	F	98.1	Very high	97.2	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-66	-36	177.1	-167.5	-100.2	0	0	0	112.3	I47 L91 I260 G264 G265 S270 F271 G278	I47-F268 HydrophobicContact CD1-CD2 3.91Å; I47-F268 HydrophobicContact CD1-CE2 3.66Å; L91-F268 HydrophobicContact CB-CE1 4.06Å; L91-F268 HydrophobicContact CD1-CE1 3.68Å; L91-F268 HydrophobicContact CD1-CZ 3.73Å; L91-F268 HydrophobicContact CG-CE1 4.47Å; I260-F268 HydrophobicContact CD1-CD1 3.94Å; I260-F268 HydrophobicContact CD1-CD2 4.07Å; I260-F268 HydrophobicContact CD1-CE1 4Å; I260-F268 HydrophobicContact CD1-CE2 4.14Å; I260-F268 HydrophobicContact CD1-CG 3.94Å; I260-F268 HydrophobicContact CD1-CZ 4.09Å; I260-F268 HydrophobicContact CG1-CB 4.07Å; I260-F268 HydrophobicContact CG1-CD1 4.33Å; I260-F268 HydrophobicContact CG1-CD2 3.85Å; I260-F268 HydrophobicContact CG1-CE2 4.32Å; I260-F268 HydrophobicContact CG1-CG 3.83Å; G264-F268 PolarHBondContact O-N 3.09Å; G265-F268 PolarHBondContact O-N 2.92Å; F268-S270 PolarHBondContact O-N 2.77Å; F268-F271 PolarHBondContact O-N 2.9Å; F268-G278 VanDerWaalsContact CE1-CA 3.43Å; F268-G278 VanDerWaalsContact CZ-CA 3.43Å; F268-G278 VanDerWaalsContact O-CA 3.3Å; F268-G278 WeakPolarHBondContact O-CA 3.48Å; F268-G278 PolarHBondContact O-N 2.96Å
269	A	97.4	Very high	97.2	Very high	20 Å²	20	41.5 Å²	41.5	17%	0.165	19%	0.193	C	C	.	.	H	α-helix	trans	-72.5	-11	175.9	0	0	0	0	0	113.8	G265 D266 W267 F271 R277	G265-A269 VanDerWaalsContact O-CB 3.24Å; G265-A269 WeakPolarHBondContact O-CB 3.21Å; G265-A269 PolarHBondContact O-N 3.41Å; D266-A269 CarbonylContact O-C 3.58Å; D266-A269 PolarHBondContact O-N 3.06Å; W267-A269 VanDerWaalsContact C-N 3.32Å; W267-A269 PolarHBondContact O-N 3.08Å; A269-F271 VanDerWaalsContact C-N 3.26Å; A269-R277 HydrophobicContact CB-CG 4.42Å; A269-R277 WeakPolarHBondContact O-CD 3.28Å; A269-R277 VanDerWaalsContact O-CZ 3.27Å; A269-R277 PolarHBondContact O-NE 3.1Å; A269-R277 PolarHBondContact O-NH1 3.23Å
270	S	96.5	Very high	97.2	Very high	64 Å²	64	40.8 Å²	40.8	45%	0.448	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-18.9	174.8	79.1	0	0	0	0	112.8	D266 W267 F268	D266-S270 PolarHBondContact O-N 3.35Å; W267-S270 WeakPolarHBondContact O-CB 3.39Å; W267-S270 PolarHBondContact O-N 3.42Å; W267-S270 VanDerWaalsContact O-N 3.15Å; W267-S270 PolarHBondContact O-OG 3.2Å; F268-S270 PolarHBondContact O-N 2.77Å
271	F	97.1	Very high	97.2	Very high	14 Å²	14	40.8 Å²	40.8	6%	0.061	19%	0.189	C	C	.	.	S	Bend	trans	-92.7	142.3	178.9	-61	-62.9	0	0	0	112.4	L41 D45 W267 F268 A269 R277 G278 T279 E297	L41-F271 HydrophobicContact CD1-CD1 3.9Å; L41-F271 HydrophobicContact CD1-CE1 3.59Å; L41-F271 HydrophobicContact CD1-CZ 4.02Å; D45-F271 HydrophobicContact CB-CE1 4.31Å; D45-F271 HydrophobicContact CB-CE2 4.48Å; D45-F271 HydrophobicContact CB-CZ 3.73Å; W267-F271 HydrophobicContact CD2-CE2 4.14Å; W267-F271 AromaticContact CE2-CE2 3.56Å; W267-F271 HydrophobicContact CG-CE2 4.46Å; W267-F271 HydrophobicContact CH2-CE2 4.45Å; W267-F271 AromaticContact CZ2-CE2 3.72Å; W267-F271 HydrophobicContact CZ2-CE2 3.72Å; W267-F271 HydrophobicContact CZ2-CZ 4.29Å; W267-F271 AromaticContact NE1-CE2 3.61Å; W267-F271 AromaticContact NE1-CZ 3.77Å; W267-F271 WeakPolarHBondContact O-CD2 3.08Å; W267-F271 WeakPolarHBondContact O-CE2 3.4Å; F268-F271 PolarHBondContact O-N 2.9Å; A269-F271 VanDerWaalsContact C-N 3.26Å; F271-R277 CarbonylContact O-C 3.14Å; F271-R277 VanDerWaalsContact O-CA 3.23Å; F271-R277 WeakPolarHBondContact O-CA 3.44Å; F271-R277 VanDerWaalsContact O-CD 3.32Å; F271-R277 WeakPolarHBondContact O-CD 3.26Å; F271-G278 PolarHBondContact O-N 3.3Å; F271-T279 HydrophobicContact CD2-CG2 4.44Å; F271-E297 WeakPolarHBondContact CA-OE1 3.48Å; F271-E297 HydrophobicContact CB-CG 3.77Å; F271-E297 HydrophobicContact CD1-CG 3.91Å; F271-E297 HydrophobicContact CG-CG 4.24Å
272	G	96.5	Very high	97.2	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.186	C	C	.	.	S	Bend	trans	70.4	173	176.1	0	0	0	0	0	114.6	R277 E297 M298	G272-R277 PolarHBondContact O-NH1 3.2Å; G272-E297 PolarHBondContact N-OE1 3.15Å; G272-M298 VanDerWaalsContact CA-O 3.26Å; G272-M298 WeakPolarHBondContact CA-O 3.49Å
273	R	96.2	Very high	97.2	Very high	59 Å²	59	37.5 Å²	37.5	22%	0.223	18%	0.175	C	C	.	.	S	Bend	trans	-64.7	159.8	177.7	-73.5	-169.6	-46.1	125	1.4	112.1	Y38 R275 N276 R277 S299 D344	Y38-R273 HydrophobicContact CD2-CG 4.44Å; Y38-R273 HydrophobicContact CE1-CG 4.09Å; Y38-R273 HydrophobicContact CE2-CG 3.54Å; Y38-R273 WeakPolarHBondContact OH-CG 3.46Å; R273-R275 PolarHBondContact O-N 3.13Å; R273-N276 HydrophobicContact CB-CB 4.3Å; R273-N276 CarbonylContact O-C 3.48Å; R273-N276 VanDerWaalsContact O-C 3.27Å; R273-N276 WeakPolarHBondContact O-CA 3.36Å; R273-N276 PolarHBondContact O-N 3.15Å; R273-R277 VanDerWaalsContact O-CD 3.29Å; R273-R277 WeakPolarHBondContact O-CD 3.41Å; R273-S299 PolarHBondContact N-OG 2.88Å; R273-D344 IonicContact CZ-OD1 2.63Å; R273-D344 IonicContact CZ-OD2 3.81Å; R273-D344 IonicContact NE-OD2 3.07Å; R273-D344 PolarHBondContact NE-OD2 2.75Å; R273-D344 IonicContact NH2-OD1 3.23Å; R273-D344 PolarHBondContact NH2-OD1 3.36Å; R273-D344 IonicContact NH2-OD2 2.84Å; R273-D344 PolarHBondContact NH2-OD2 2.91Å
274	E	94.2	Very high	97.3	Very high	138 Å²	138	32.4 Å²	32.4	65%	0.645	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.5	139.9	167.4	-159.2	-170.9	157.3	0	0	110.5	N276	E274-N276 PolarHBondContact O-N 3.47Å; E274-N276 PolarHBondContact O-ND2 3.29Å; E274-N276 VanDerWaalsContact O-ND2 3.07Å
275	R	93.6	Very high	97.3	Very high	168 Å²	168	32.9 Å²	32.9	63%	0.634	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.1	5.8	-173.5	-55.7	170.4	51.7	-176.4	-7.2	115.6	R92 R273 D346	R92-R275 WeakPolarHBondContact CD-O 3.42Å; R92-R275 PolarHBondContact NH1-O 3.01Å; R273-R275 PolarHBondContact O-N 3.13Å; R275-D346 IonicContact NE-OD2 3.52Å
276	N	95.9	Very high	97.3	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.175	C	C	.	.	S	Bend	trans	-135.6	43.5	-179.5	-65.9	-76.3	0	0	0	110.9	R92 R273 E274 M298 D344 F345 D346	R92-N276 PolarHBondContact NH1-OD1 3.49Å; R273-N276 HydrophobicContact CB-CB 4.3Å; R273-N276 CarbonylContact O-C 3.48Å; R273-N276 VanDerWaalsContact O-C 3.27Å; R273-N276 WeakPolarHBondContact O-CA 3.36Å; R273-N276 PolarHBondContact O-N 3.15Å; E274-N276 PolarHBondContact O-N 3.47Å; E274-N276 PolarHBondContact O-ND2 3.29Å; E274-N276 VanDerWaalsContact O-ND2 3.07Å; N276-M298 HydrophobicContact CB-CE 4.19Å; N276-M298 WeakPolarHBondContact O-CB 3.39Å; N276-D344 HydrophobicContact CB-CB 3.73Å; N276-F345 WeakPolarHBondContact OD1-CB 3.29Å; N276-F345 PolarHBondContact OD1-N 2.88Å; N276-F345 VanDerWaalsContact OD1-N 3.08Å; N276-D346 VanDerWaalsContact ND2-CG 3.26Å; N276-D346 PolarHBondContact ND2-OD2 3.22Å; N276-D346 PolarHBondContact OD1-N 2.88Å
277	R	96.9	Very high	97.4	Very high	52 Å²	52	32.8 Å²	32.8	20%	0.196	16%	0.163	C	C	.	.			trans	-78.4	152.8	-168	-61.3	-58.2	-167.3	175.7	3.3	114	S89 R94 A269 F271 G272 R273	S89-R277 WeakPolarHBondContact O-CB 3.21Å; R94-R277 PolarHBondContact NH2-O 3.21Å; A269-R277 HydrophobicContact CB-CG 4.42Å; A269-R277 WeakPolarHBondContact O-CD 3.28Å; A269-R277 VanDerWaalsContact O-CZ 3.27Å; A269-R277 PolarHBondContact O-NE 3.1Å; A269-R277 PolarHBondContact O-NH1 3.23Å; F271-R277 CarbonylContact O-C 3.14Å; F271-R277 VanDerWaalsContact O-CA 3.23Å; F271-R277 WeakPolarHBondContact O-CA 3.44Å; F271-R277 VanDerWaalsContact O-CD 3.32Å; F271-R277 WeakPolarHBondContact O-CD 3.26Å; G272-R277 PolarHBondContact O-NH1 3.2Å; R273-R277 VanDerWaalsContact O-CD 3.29Å; R273-R277 WeakPolarHBondContact O-CD 3.41Å
278	G	97.5	Very high	97.4	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.157	C	C	.	.	S	Bend	trans	98.3	-167.8	169.2	0	0	0	0	0	115.5	F268 F271 M298	F268-G278 VanDerWaalsContact CE1-CA 3.43Å; F268-G278 VanDerWaalsContact CZ-CA 3.43Å; F268-G278 VanDerWaalsContact O-CA 3.3Å; F268-G278 WeakPolarHBondContact O-CA 3.48Å; F268-G278 PolarHBondContact O-N 2.96Å; F271-G278 PolarHBondContact O-N 3.3Å; G278-M298 WeakPolarHBondContact O-CB 3.23Å; G278-M298 WeakPolarHBondContact O-CG 3.23Å; G278-M298 PolarHBondContact O-N 3.25Å
279	T	98.3	Very high	97.4	Very high	1 Å²	1	35 Å²	35	1%	0.006	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	163.2	171.7	65	0	0	0	0	110.6	L41 R94 F271 E295 E296	L41-T279 HydrophobicContact CD1-CG2 3.94Å; L41-T279 HydrophobicContact CD2-CG2 3.56Å; L41-T279 HydrophobicContact CG-CG2 4.43Å; R94-T279 PolarHBondContact NE-O 2.85Å; R94-T279 PolarHBondContact NH2-O 2.73Å; F271-T279 HydrophobicContact CD2-CG2 4.44Å; T279-E295 VanDerWaalsContact CB-OE1 3.32Å; T279-E295 WeakPolarHBondContact CB-OE1 3.44Å; T279-E295 PolarHBondContact OG1-OE1 3.3Å; T279-E296 WeakPolarHBondContact CA-O 3.24Å
280	K	98.4	Very high	97.5	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	139.2	176.8	-176.6	71.9	-169.3	68.5	0	110	K132 E252 F282 E295 E296 M298 T357 A358	K132-K280 VanDerWaalsContact CD-NZ 3.35Å; E252-K280 WeakPolarHBondContact OE1-CD 3.5Å; E252-K280 IonicContact OE1-NZ 2.83Å; E252-K280 PolarHBondContact OE1-NZ 2.97Å; E252-K280 IonicContact OE2-NZ 2.73Å; E252-K280 PolarHBondContact OE2-NZ 3.5Å; K280-F282 HydrophobicContact CB-CD2 4.38Å; K280-F282 HydrophobicContact CB-CE1 4.48Å; K280-F282 HydrophobicContact CB-CE2 3.75Å; K280-F282 HydrophobicContact CB-CZ 3.81Å; K280-F282 HydrophobicContact CG-CE1 4.16Å; K280-F282 HydrophobicContact CG-CE2 4.21Å; K280-F282 HydrophobicContact CG-CZ 3.99Å; K280-F282 VanDerWaalsContact O-CD2 3.24Å; K280-F282 WeakPolarHBondContact O-CD2 3.09Å; K280-F282 WeakPolarHBondContact O-CE2 2.99Å; K280-E295 WeakPolarHBondContact O-CA 3.3Å; K280-E296 PolarHBondContact N-O 3.41Å; K280-E296 PolarHBondContact O-N 2.9Å; K280-M298 HydrophobicContact CB-CG 4.06Å; K280-M298 HydrophobicContact CB-SD 3.53Å; K280-M298 VanDerWaalsContact CB-SD 3.53Å; K280-M298 HydrophobicContact CD-SD 4.31Å; K280-M298 HydrophobicContact CG-SD 4Å; K280-T357 WeakPolarHBondContact CE-O 3.01Å; K280-T357 PolarHBondContact NZ-O 3.15Å; K280-A358 HydrophobicContact CD-CB 4.23Å; K280-A358 HydrophobicContact CG-CB 3.71Å
281	L	98.6	Very high	97.6	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	119.9	164.8	-69.6	172.1	0	0	0	109.7	F48 L51 K132 I136 E252 E295	F48-L281 HydrophobicContact CB-CD2 4.47Å; F48-L281 HydrophobicContact CD2-CD1 3.73Å; F48-L281 HydrophobicContact CD2-CD2 3.8Å; F48-L281 HydrophobicContact CD2-CG 3.72Å; F48-L281 HydrophobicContact CE2-CD1 3.71Å; F48-L281 HydrophobicContact CE2-CD2 4.44Å; F48-L281 HydrophobicContact CE2-CG 3.85Å; F48-L281 HydrophobicContact CG-CD1 4.21Å; F48-L281 HydrophobicContact CG-CD2 4.37Å; F48-L281 HydrophobicContact CZ-CD1 4.19Å; L51-L281 HydrophobicContact CD1-CD1 4.31Å; L51-L281 HydrophobicContact CD1-CD2 3.71Å; L51-L281 HydrophobicContact CD2-CD2 3.66Å; L51-L281 HydrophobicContact CG-CD2 4.36Å; K132-L281 HydrophobicContact CB-CB 3.67Å; K132-L281 HydrophobicContact CB-CD1 3.95Å; K132-L281 HydrophobicContact CB-CG 4.45Å; K132-L281 HydrophobicContact CD-CB 4.22Å; K132-L281 HydrophobicContact CG-CB 4.5Å; I136-L281 HydrophobicContact CD1-CD1 3.62Å; I136-L281 HydrophobicContact CG1-CD1 3.88Å; E252-L281 HydrophobicContact CG-CD1 4.28Å; E252-L281 PolarHBondContact OE1-N 2.84Å; L281-E295 HydrophobicContact CD2-CB 3.75Å; L281-E295 HydrophobicContact CD2-CG 4.29Å
282	F	98.7	Very high	97.7	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	135.6	175.4	-65.4	-81.8	0	0	0	110	K280 T293 V294 E296 I300 L305 M343 L355 A358 L360	K280-F282 HydrophobicContact CB-CD2 4.38Å; K280-F282 HydrophobicContact CB-CE1 4.48Å; K280-F282 HydrophobicContact CB-CE2 3.75Å; K280-F282 HydrophobicContact CB-CZ 3.81Å; K280-F282 HydrophobicContact CG-CE1 4.16Å; K280-F282 HydrophobicContact CG-CE2 4.21Å; K280-F282 HydrophobicContact CG-CZ 3.99Å; K280-F282 VanDerWaalsContact O-CD2 3.24Å; K280-F282 WeakPolarHBondContact O-CD2 3.09Å; K280-F282 WeakPolarHBondContact O-CE2 2.99Å; F282-T293 CarbonylContact O-C 3.52Å; F282-T293 VanDerWaalsContact O-CA 3.25Å; F282-T293 WeakPolarHBondContact O-CA 3.2Å; F282-V294 HydrophobicContact CB-CG1 4.35Å; F282-V294 PolarHBondContact N-O 3.17Å; F282-V294 PolarHBondContact O-N 3.36Å; F282-E296 HydrophobicContact CD2-CB 3.77Å; F282-E296 HydrophobicContact CE2-CB 3.82Å; F282-I300 HydrophobicContact CE2-CG2 4.26Å; F282-I300 HydrophobicContact CZ-CG2 4.19Å; F282-L305 HydrophobicContact CB-CD1 4.37Å; F282-L305 HydrophobicContact CB-CD2 4.02Å; F282-L305 HydrophobicContact CD1-CD2 3.61Å; F282-L305 HydrophobicContact CD2-CD1 4.21Å; F282-L305 HydrophobicContact CD2-CD2 4.18Å; F282-L305 HydrophobicContact CE1-CD2 4.1Å; F282-L305 HydrophobicContact CG-CD1 4.28Å; F282-L305 HydrophobicContact CG-CD2 3.66Å; F282-M343 HydrophobicContact CD1-CE 4.28Å; F282-M343 HydrophobicContact CE1-CB 3.72Å; F282-M343 HydrophobicContact CE1-CE 4.04Å; F282-M343 HydrophobicContact CE1-CG 4.37Å; F282-M343 HydrophobicContact CZ-CB 4Å; F282-L355 HydrophobicContact CE1-CD1 4.47Å; F282-A358 WeakPolarHBondContact CA-O 3.41Å; F282-A358 HydrophobicContact CD1-CB 3.61Å; F282-A358 HydrophobicContact CE1-CB 3.75Å; F282-L360 HydrophobicContact CB-CD1 4.18Å; F282-L360 HydrophobicContact CD1-CD1 3.86Å; F282-L360 HydrophobicContact CG-CD1 4.48Å
283	N	98.8	Very high	97.8	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.005	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	109.9	171.2	-56.8	-53.6	0	0	0	108.2	G129 C131 K132 T293 A358 A359 L360	G129-N283 VanDerWaalsContact O-CB 3.26Å; G129-N283 WeakPolarHBondContact O-CB 3.37Å; C131-N283 PolarHBondContact N-ND2 3.14Å; C131-N283 PolarHBondContact SG-OD1 2.71Å; C131-N283 VanDerWaalsContact SG-OD1 3.4Å; K132-N283 PolarHBondContact N-ND2 2.65Å; K132-N283 PolarHBondContact N-OD1 3Å; N283-T293 WeakPolarHBondContact OD1-CB 3.3Å; N283-T293 WeakPolarHBondContact OD1-CG2 3.37Å; N283-T293 PolarHBondContact OD1-OG1 3.08Å; N283-A358 PolarHBondContact N-O 3.42Å; N283-A358 VanDerWaalsContact N-O 3.08Å; N283-A359 HydrophobicContact CB-CB 4.22Å; N283-A359 CarbonylContact O-C 3.49Å; N283-A359 WeakPolarHBondContact O-CA 3.35Å; N283-L360 PolarHBondContact O-N 3.02Å
284	I	98.8	Very high	97.9	Very high	3 Å²	3	38.6 Å²	38.6	2%	0.015	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	115.2	177.9	-48.4	164.7	0	0	0	107.6	V288 P291 C292 V294 L305 I306 H309 A310 L360 V362	I284-V288 HydrophobicContact CG2-CG1 3.9Å; I284-V288 HydrophobicContact CG2-CG2 4.12Å; I284-P291 CarbonylContact O-C 3.52Å; I284-P291 VanDerWaalsContact O-CA 3.28Å; I284-P291 WeakPolarHBondContact O-CA 3.38Å; I284-C292 PolarHBondContact N-O 3.39Å; I284-C292 PolarHBondContact O-N 3.03Å; I284-V294 HydrophobicContact CD1-CG1 4.37Å; I284-L305 HydrophobicContact CD1-CD1 4.18Å; I284-L305 HydrophobicContact CD1-CG 3.96Å; I284-I306 HydrophobicContact CG2-CG1 4.33Å; I284-H309 HydrophobicContact CD1-CB 4.15Å; I284-A310 HydrophobicContact CB-CB 4.06Å; I284-A310 HydrophobicContact CD1-CB 3.86Å; I284-A310 HydrophobicContact CG2-CB 3.6Å; I284-L360 HydrophobicContact CG1-CD1 4.32Å; I284-V362 HydrophobicContact CG2-CG2 4.21Å
285	S	98.6	Very high	98.1	Very high	29 Å²	29	32.1 Å²	32.1	20%	0.203	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	171.3	-172.7	68.9	0	0	0	0	111.7	L360 V362	S285-L360 PolarHBondContact N-O 3.2Å; S285-L360 PolarHBondContact OG-O 2.83Å; S285-V362 WeakPolarHBondContact O-CB 3.09Å; S285-V362 PolarHBondContact O-N 3.46Å
286	G	98.1	Very high	98.3	Very high	37 Å²	37	24.1 Å²	24.1	38%	0.381	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	85.5	-138.3	179.6	0	0	0	0	0	113	V288 V362	G286-V288 VanDerWaalsContact C-N 3.25Å; G286-V288 PolarHBondContact O-N 2.97Å; G286-V362 CarbonylContact C-O 3.56Å; G286-V362 WeakPolarHBondContact CA-O 3.46Å
287	H	98.5	Very high	98.4	Very high	61 Å²	61	24.3 Å²	24.3	28%	0.282	14%	0.142	S	C	.	.	S	Bend	trans	-84.2	56.9	-169.4	-59.4	172.7	0	0	0	112.9	I314 V362 N364	H287-I314 HydrophobicContact CB-CD1 4.3Å; H287-I314 PolarHBondContact O-N 2.9Å; H287-V362 PolarHBondContact N-O 3.41Å; H287-N364 HydrophobicContact CB-CB 3.91Å; H287-N364 VanDerWaalsContact ND1-CG 3.33Å; H287-N364 PolarHBondContact ND1-N 2.99Å; H287-N364 PolarHBondContact ND1-OD1 3.22Å
288	V	98.7	Very high	98.5	Very high	4 Å²	4	21.8 Å²	21.8	2%	0.024	13%	0.133	C	C	.	.	B	Isolated β-bridge	trans	-114.6	158	171.1	-66.2	0	0	0	0	110.9	I284 G286 P291 I306 A310 G312 V362	I284-V288 HydrophobicContact CG2-CG1 3.9Å; I284-V288 HydrophobicContact CG2-CG2 4.12Å; G286-V288 VanDerWaalsContact C-N 3.25Å; G286-V288 PolarHBondContact O-N 2.97Å; V288-P291 HydrophobicContact CG2-CB 4.1Å; V288-P291 HydrophobicContact CG2-CG 3.77Å; V288-I306 HydrophobicContact CG1-CG2 4.01Å; V288-A310 HydrophobicContact CB-CB 3.92Å; V288-A310 HydrophobicContact CG1-CB 4.16Å; V288-A310 HydrophobicContact CG2-CB 4Å; V288-G312 WeakPolarHBondContact CA-O 3.46Å; V288-V362 HydrophobicContact CG1-CB 3.76Å; V288-V362 HydrophobicContact CG1-CG1 3.85Å; V288-V362 HydrophobicContact CG1-CG2 3.63Å
289	N	98.7	Very high	98.5	Very high	83 Å²	83	21.8 Å²	21.8	44%	0.444	13%	0.133	S	C	.	.	S	Bend	trans	-67.4	-39.9	-177.2	-68	-42.7	0	0	0	112.2	G311 G312	N289-G311 PolarHBondContact ND2-O 3.02Å; N289-G312 PolarHBondContact N-O 2.74Å; N289-G312 PolarHBondContact ND2-O 3.37Å
290	N	98.6	Very high	98.5	Very high	101 Å²	101	21.8 Å²	21.8	54%	0.54	13%	0.133	S	C	.	.	S	Bend	trans	-130.9	82.2	-179.3	-56.1	-58.5	0	0	0	110.7	C292 A310	N290-C292 PolarHBondContact O-N 3.1Å; N290-A310 PolarHBondContact N-O 3.18Å; N290-A310 VanDerWaalsContact O-CA 3.3Å; N290-A310 WeakPolarHBondContact O-CA 3.37Å
291	P	98.6	Very high	98.4	Very high	84 Å²	84	23.8 Å²	23.8	55%	0.545	15%	0.146	S	C	.	.			trans	-55.7	129.6	174.2	-22.3	32.2	0	0	0	111.1	I284 V288	I284-P291 CarbonylContact O-C 3.52Å; I284-P291 VanDerWaalsContact O-CA 3.28Å; I284-P291 WeakPolarHBondContact O-CA 3.38Å; V288-P291 HydrophobicContact CG2-CB 4.1Å; V288-P291 HydrophobicContact CG2-CG 3.77Å
292	C	98.7	Very high	98.4	Very high	35 Å²	35	23.8 Å²	23.8	24%	0.236	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	158.1	-173.4	61.4	0	0	0	0	113	I284 N290 H309	I284-C292 PolarHBondContact N-O 3.39Å; I284-C292 PolarHBondContact O-N 3.03Å; N290-C292 PolarHBondContact O-N 3.1Å; C292-H309 PolarHBondContact SG-O 3.18Å; C292-H309 VanDerWaalsContact SG-O 3.38Å
293	T	98.7	Very high	98.4	Very high	8 Å²	8	28.6 Å²	28.6	5%	0.049	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	130.3	162.8	-60	0	0	0	0	108.6	L51 Y52 C131 K132 E135 F282 N283	L51-T293 HydrophobicContact CD2-CG2 4.28Å; Y52-T293 WeakPolarHBondContact CE1-O 3.48Å; Y52-T293 PolarHBondContact OH-O 2.82Å; C131-T293 PolarHBondContact SG-OG1 2.75Å; K132-T293 HydrophobicContact CB-CG2 4.41Å; E135-T293 HydrophobicContact CG-CG2 4.14Å; F282-T293 CarbonylContact O-C 3.52Å; F282-T293 VanDerWaalsContact O-CA 3.25Å; F282-T293 WeakPolarHBondContact O-CA 3.2Å; N283-T293 WeakPolarHBondContact OD1-CB 3.3Å; N283-T293 WeakPolarHBondContact OD1-CG2 3.37Å; N283-T293 PolarHBondContact OD1-OG1 3.08Å
294	V	98.6	Very high	98.4	Very high	5 Å²	5	30.5 Å²	30.5	3%	0.03	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	136.9	-179.9	65.4	0	0	0	0	110.2	F282 I284 L305 H309	F282-V294 HydrophobicContact CB-CG1 4.35Å; F282-V294 PolarHBondContact N-O 3.17Å; F282-V294 PolarHBondContact O-N 3.36Å; I284-V294 HydrophobicContact CD1-CG1 4.37Å; V294-L305 HydrophobicContact CG1-CD1 4.03Å; V294-H309 HydrophobicContact CG1-CB 3.97Å
295	E	98.7	Very high	98.3	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.009	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	140.1	165.2	-168.7	174.8	-179.7	0	0	108.6	L41 R46 I47 F48 T279 K280 L281	L41-E295 HydrophobicContact CD2-CG 4.3Å; R46-E295 WeakPolarHBondContact CA-OE2 3.47Å; R46-E295 WeakPolarHBondContact CB-OE2 3.49Å; R46-E295 PolarHBondContact NH1-O 3.08Å; I47-E295 WeakPolarHBondContact CB-OE1 3.35Å; I47-E295 VanDerWaalsContact N-CD 3.33Å; I47-E295 PolarHBondContact N-OE1 3.12Å; I47-E295 PolarHBondContact N-OE2 3.49Å; F48-E295 HydrophobicContact CD2-CG 4.43Å; F48-E295 PolarHBondContact N-OE2 2.84Å; T279-E295 VanDerWaalsContact CB-OE1 3.32Å; T279-E295 WeakPolarHBondContact CB-OE1 3.44Å; T279-E295 PolarHBondContact OG1-OE1 3.3Å; K280-E295 WeakPolarHBondContact O-CA 3.3Å; L281-E295 HydrophobicContact CD2-CB 3.75Å; L281-E295 HydrophobicContact CD2-CG 4.29Å
296	E	98.4	Very high	98.3	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	164.9	175	-166.4	47.1	-89.1	0	0	110.2	L41 T279 K280 F282 M298 I300 L305 H309	L41-E296 WeakPolarHBondContact CA-OE1 3.28Å; L41-E296 WeakPolarHBondContact CB-OE1 3.03Å; L41-E296 PolarHBondContact N-OE1 2.77Å; T279-E296 WeakPolarHBondContact CA-O 3.24Å; K280-E296 PolarHBondContact N-O 3.41Å; K280-E296 PolarHBondContact O-N 2.9Å; F282-E296 HydrophobicContact CD2-CB 3.77Å; F282-E296 HydrophobicContact CE2-CB 3.82Å; E296-M298 PolarHBondContact O-N 3.15Å; E296-I300 HydrophobicContact CG-CB 4.32Å; E296-I300 HydrophobicContact CG-CD1 3.4Å; E296-I300 HydrophobicContact CG-CG1 4.42Å; E296-I300 HydrophobicContact CG-CG2 4.13Å; E296-L305 HydrophobicContact CB-CD1 4.25Å; E296-L305 HydrophobicContact CG-CD1 4.23Å; E296-H309 IonicContact OE2-CD2 3.74Å; E296-H309 IonicContact OE2-CE1 3.56Å; E296-H309 PolarHBondContact OE2-CE1 2.68Å; E296-H309 IonicContact OE2-NE2 3.5Å; E296-H309 PolarHBondContact OE2-NE2 2.77Å
297	E	98.2	Very high	98.3	Very high	4 Å²	4	30.8 Å²	30.8	2%	0.019	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	133.9	175.1	-157.7	-175.2	168.5	0	0	110.8	K35 G39 F271 G272 I300	K35-E297 IonicContact NZ-OE1 3.73Å; K35-E297 PolarHBondContact NZ-OE1 2.96Å; K35-E297 IonicContact NZ-OE2 3.85Å; K35-E297 PolarHBondContact NZ-OE2 3.07Å; G39-E297 PolarHBondContact N-OE2 3.3Å; F271-E297 WeakPolarHBondContact CA-OE1 3.48Å; F271-E297 HydrophobicContact CB-CG 3.77Å; F271-E297 HydrophobicContact CD1-CG 3.91Å; F271-E297 HydrophobicContact CG-CG 4.24Å; G272-E297 PolarHBondContact N-OE1 3.15Å; E297-I300 WeakPolarHBondContact O-CG2 3.47Å; E297-I300 PolarHBondContact O-N 2.68Å
298	M	97.4	Very high	98.3	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	153.4	167.1	-76.2	-77	-66.6	0	0	110.3	G272 N276 G278 K280 E296 I300 D344 F345 L355	G272-M298 VanDerWaalsContact CA-O 3.26Å; G272-M298 WeakPolarHBondContact CA-O 3.49Å; N276-M298 HydrophobicContact CB-CE 4.19Å; N276-M298 WeakPolarHBondContact O-CB 3.39Å; G278-M298 WeakPolarHBondContact O-CB 3.23Å; G278-M298 WeakPolarHBondContact O-CG 3.23Å; G278-M298 PolarHBondContact O-N 3.25Å; K280-M298 HydrophobicContact CB-CG 4.06Å; K280-M298 HydrophobicContact CB-SD 3.53Å; K280-M298 VanDerWaalsContact CB-SD 3.53Å; K280-M298 HydrophobicContact CD-SD 4.31Å; K280-M298 HydrophobicContact CG-SD 4Å; E296-M298 PolarHBondContact O-N 3.15Å; M298-I300 PolarHBondContact O-N 2.64Å; M298-D344 HydrophobicContact CE-CB 3.86Å; M298-F345 HydrophobicContact CE-CD2 3.7Å; M298-F345 HydrophobicContact CE-CE2 3.74Å; M298-L355 HydrophobicContact CE-CD2 3.7Å; M298-L355 HydrophobicContact SD-CD2 4.02Å
299	S	97.9	Very high	98.3	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	69	9.1	-179.1	-37.3	0	0	0	0	114.9	Y38 R273 L342 M343 D344	Y38-S299 WeakPolarHBondContact CB-O 3.08Å; Y38-S299 WeakPolarHBondContact CD2-O 3.42Å; R273-S299 PolarHBondContact N-OG 2.88Å; S299-L342 WeakPolarHBondContact O-CD2 3.23Å; S299-M343 PolarHBondContact N-O 3.18Å; S299-D344 WeakPolarHBondContact CB-OD2 3.5Å; S299-D344 PolarHBondContact OG-OD2 2.85Å; S299-D344 VanDerWaalsContact OG-OD2 3.11Å
300	I	98	Very high	98.3	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.156	C	C	.	.			trans	-56.9	138.6	167.5	-173.7	172.1	0	0	0	110.5	F282 E296 E297 M298 M302 D304 L305 M343	F282-I300 HydrophobicContact CE2-CG2 4.26Å; F282-I300 HydrophobicContact CZ-CG2 4.19Å; E296-I300 HydrophobicContact CG-CB 4.32Å; E296-I300 HydrophobicContact CG-CD1 3.4Å; E296-I300 HydrophobicContact CG-CG1 4.42Å; E296-I300 HydrophobicContact CG-CG2 4.13Å; E297-I300 WeakPolarHBondContact O-CG2 3.47Å; E297-I300 PolarHBondContact O-N 2.68Å; M298-I300 PolarHBondContact O-N 2.64Å; I300-M302 PolarHBondContact O-N 3.43Å; I300-D304 HydrophobicContact CG1-CB 4.43Å; I300-L305 HydrophobicContact CD1-CB 4.1Å; I300-L305 HydrophobicContact CD1-CD1 4.38Å; I300-L305 HydrophobicContact CG1-CB 4.44Å; I300-L305 HydrophobicContact CG2-CB 4.23Å; I300-L305 HydrophobicContact CG2-CD1 4.47Å; I300-L305 HydrophobicContact CG2-CD2 4.34Å; I300-M343 HydrophobicContact CG2-CB 4.07Å; I300-M343 WeakPolarHBondContact O-CB 3.44Å; I300-M343 PolarHBondContact O-N 2.95Å
301	P	98.1	Very high	98.2	Very high	42 Å²	42	27.8 Å²	27.8	27%	0.273	15%	0.147	S	C	.	.	B	Isolated β-bridge	trans	-58.3	134.8	172.9	-23.8	34	0	0	0	111.7	R303 D304 L305 L342	P301-R303 VanDerWaalsContact C-N 3.28Å; P301-R303 PolarHBondContact O-N 3.49Å; P301-D304 HydrophobicContact CB-CB 3.98Å; P301-D304 HydrophobicContact CG-CB 4.36Å; P301-D304 PolarHBondContact O-N 3.18Å; P301-D304 VanDerWaalsContact O-N 3.11Å; P301-L305 PolarHBondContact O-N 3.04Å; P301-L342 HydrophobicContact CB-CD2 4.26Å; P301-L342 HydrophobicContact CG-CD2 3.92Å
302	M	98.5	Very high	98.2	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-56.8	-43.6	-178.2	-179.8	-173.5	-71.5	0	0	112.1	I300 D304 L305 I306 V323 P325 L333 C338 V341 M343 L348 L360	I300-M302 PolarHBondContact O-N 3.43Å; M302-D304 VanDerWaalsContact C-N 3.34Å; M302-D304 PolarHBondContact O-N 2.92Å; M302-L305 PolarHBondContact O-N 3.19Å; M302-I306 HydrophobicContact CG-CD1 3.93Å; M302-I306 WeakPolarHBondContact O-CG1 3.48Å; M302-I306 PolarHBondContact O-N 3.32Å; M302-I306 VanDerWaalsContact O-N 3.09Å; M302-V323 HydrophobicContact CE-CG1 4.34Å; M302-V323 HydrophobicContact SD-CB 3.97Å; M302-V323 HydrophobicContact SD-CG1 3.99Å; M302-V323 HydrophobicContact SD-CG2 4.07Å; M302-P325 HydrophobicContact CE-CB 3.73Å; M302-L333 HydrophobicContact CE-CD1 4.34Å; M302-C338 HydrophobicContact SD-CB 3.63Å; M302-C338 VanDerWaalsContact SD-SG 3.61Å; M302-V341 HydrophobicContact CB-CG1 3.84Å; M302-V341 HydrophobicContact CE-CG1 3.67Å; M302-V341 PolarHBondContact N-O 2.84Å; M302-V341 HydrophobicContact SD-CG1 4.14Å; M302-M343 HydrophobicContact CB-CG 3.92Å; M302-M343 HydrophobicContact CB-SD 3.77Å; M302-M343 HydrophobicContact CE-SD 3.41Å; M302-M343 WeakPolarHBondContact CE-SD 3.35Å; M302-M343 HydrophobicContact CG-CG 4.42Å; M302-M343 HydrophobicContact CG-SD 3.86Å; M302-L348 HydrophobicContact CE-CD2 4.32Å; M302-L360 HydrophobicContact CG-CD2 3.86Å
303	R	98	Very high	98.2	Very high	101 Å²	101	22.7 Å²	22.7	38%	0.381	12%	0.115	S	C	.	.	H	α-helix	trans	-57.4	-47.8	176.7	178.3	176	178.9	173.1	6.7	112.1	P301 L305 I306 E307 W317	P301-R303 VanDerWaalsContact C-N 3.28Å; P301-R303 PolarHBondContact O-N 3.49Å; R303-L305 PolarHBondContact O-N 2.81Å; R303-I306 PolarHBondContact O-N 2.81Å; R303-E307 HydrophobicContact CG-CG 4.18Å; R303-E307 WeakPolarHBondContact CG-OE2 3.32Å; R303-E307 IonicContact CZ-OE1 2.73Å; R303-E307 IonicContact CZ-OE2 2.77Å; R303-E307 VanDerWaalsContact NE-CD 3.26Å; R303-E307 IonicContact NE-OE1 3.83Å; R303-E307 PolarHBondContact NE-OE1 3.28Å; R303-E307 IonicContact NE-OE2 3.42Å; R303-E307 PolarHBondContact NE-OE2 2.96Å; R303-E307 IonicContact NH2-OE1 2.72Å; R303-E307 PolarHBondContact NH2-OE1 3.49Å; R303-E307 IonicContact NH2-OE2 3.79Å; R303-E307 WeakPolarHBondContact O-CB 3.41Å; R303-E307 WeakPolarHBondContact O-CG 3.31Å; R303-E307 PolarHBondContact O-N 3.49Å; R303-W317 VanDerWaalsContact CA-CH2 3.45Å; R303-W317 HydrophobicContact CB-CH2 3.64Å; R303-W317 HydrophobicContact CB-CZ2 3.67Å; R303-W317 HydrophobicContact CB-CZ3 4.15Å; R303-W317 HydrophobicContact CG-CD2 3.97Å; R303-W317 HydrophobicContact CG-CE3 4.02Å; R303-W317 HydrophobicContact CG-CH2 3.88Å; R303-W317 HydrophobicContact CG-CZ2 3.79Å; R303-W317 HydrophobicContact CG-CZ3 3.98Å
304	D	97.8	Very high	98.2	Very high	41 Å²	41	25.8 Å²	25.8	22%	0.219	13%	0.13	C	C	.	.	H	α-helix	trans	-64	-42.3	-178.3	-170.9	30.9	0	0	0	111.4	I300 P301 M302 I306 R308	I300-D304 HydrophobicContact CG1-CB 4.43Å; P301-D304 HydrophobicContact CB-CB 3.98Å; P301-D304 HydrophobicContact CG-CB 4.36Å; P301-D304 PolarHBondContact O-N 3.18Å; P301-D304 VanDerWaalsContact O-N 3.11Å; M302-D304 VanDerWaalsContact C-N 3.34Å; M302-D304 PolarHBondContact O-N 2.92Å; D304-I306 PolarHBondContact O-N 3.11Å; D304-R308 VanDerWaalsContact CG-CZ 3.42Å; D304-R308 VanDerWaalsContact CG-NH1 3.27Å; D304-R308 WeakPolarHBondContact O-CB 3.49Å; D304-R308 PolarHBondContact O-N 2.78Å; D304-R308 IonicContact OD1-CZ 3.71Å; D304-R308 IonicContact OD1-NE 2.69Å; D304-R308 IonicContact OD1-NH1 3.13Å; D304-R308 PolarHBondContact OD1-NH1 3.18Å; D304-R308 IonicContact OD1-NH2 2.76Å; D304-R308 PolarHBondContact OD1-NH2 3.38Å; D304-R308 IonicContact OD2-CZ 2.9Å; D304-R308 IonicContact OD2-NH1 3.79Å; D304-R308 PolarHBondContact OD2-NH1 2.82Å; D304-R308 IonicContact OD2-NH2 3.86Å; D304-R308 PolarHBondContact OD2-NH2 3.02Å
305	L	98.2	Very high	98.2	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-57	-47.7	173.9	179.6	64.4	0	0	0	112.1	F282 I284 V294 E296 I300 P301 M302 R303 H309 M343 L360	F282-L305 HydrophobicContact CB-CD1 4.37Å; F282-L305 HydrophobicContact CB-CD2 4.02Å; F282-L305 HydrophobicContact CD1-CD2 3.61Å; F282-L305 HydrophobicContact CD2-CD1 4.21Å; F282-L305 HydrophobicContact CD2-CD2 4.18Å; F282-L305 HydrophobicContact CE1-CD2 4.1Å; F282-L305 HydrophobicContact CG-CD1 4.28Å; F282-L305 HydrophobicContact CG-CD2 3.66Å; I284-L305 HydrophobicContact CD1-CD1 4.18Å; I284-L305 HydrophobicContact CD1-CG 3.96Å; V294-L305 HydrophobicContact CG1-CD1 4.03Å; E296-L305 HydrophobicContact CB-CD1 4.25Å; E296-L305 HydrophobicContact CG-CD1 4.23Å; I300-L305 HydrophobicContact CD1-CB 4.1Å; I300-L305 HydrophobicContact CD1-CD1 4.38Å; I300-L305 HydrophobicContact CG1-CB 4.44Å; I300-L305 HydrophobicContact CG2-CB 4.23Å; I300-L305 HydrophobicContact CG2-CD1 4.47Å; I300-L305 HydrophobicContact CG2-CD2 4.34Å; P301-L305 PolarHBondContact O-N 3.04Å; M302-L305 PolarHBondContact O-N 3.19Å; R303-L305 PolarHBondContact O-N 2.81Å; L305-H309 WeakPolarHBondContact O-CB 3.2Å; L305-H309 PolarHBondContact O-N 2.74Å; L305-H309 VanDerWaalsContact O-N 3.11Å; L305-M343 HydrophobicContact CD2-CG 4.07Å; L305-L360 HydrophobicContact CD2-CD1 3.88Å; L305-L360 HydrophobicContact CD2-CD2 4.07Å
306	I	98.6	Very high	98.2	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-70.5	-47.3	-179.1	-67	168.3	0	0	0	111.7	I284 V288 M302 R303 D304 A310 G311 G312 V313 W317 V323 L360 V362	I284-I306 HydrophobicContact CG2-CG1 4.33Å; V288-I306 HydrophobicContact CG1-CG2 4.01Å; M302-I306 HydrophobicContact CG-CD1 3.93Å; M302-I306 WeakPolarHBondContact O-CG1 3.48Å; M302-I306 PolarHBondContact O-N 3.32Å; M302-I306 VanDerWaalsContact O-N 3.09Å; R303-I306 PolarHBondContact O-N 2.81Å; D304-I306 PolarHBondContact O-N 3.11Å; I306-A310 CarbonylContact O-C 3.47Å; I306-A310 WeakPolarHBondContact O-CB 3.27Å; I306-A310 PolarHBondContact O-N 2.98Å; I306-G311 PolarHBondContact O-N 3.49Å; I306-G312 PolarHBondContact O-N 3.29Å; I306-V313 HydrophobicContact CG2-CG2 4.06Å; I306-W317 HydrophobicContact CB-CZ3 4.05Å; I306-W317 HydrophobicContact CD1-CH2 4.15Å; I306-W317 HydrophobicContact CD1-CZ3 3.97Å; I306-W317 HydrophobicContact CG2-CZ3 4.05Å; I306-V323 HydrophobicContact CD1-CG2 4.3Å; I306-L360 HydrophobicContact CD1-CD2 4.22Å; I306-L360 HydrophobicContact CG1-CD2 4.23Å; I306-V362 HydrophobicContact CD1-CG2 3.88Å; I306-V362 HydrophobicContact CG1-CG2 4.37Å
307	E	98.3	Very high	98.2	Very high	75 Å²	75	31.2 Å²	31.2	35%	0.35	18%	0.182	S	C	.	.	H	α-helix	trans	-65.7	-43	-178.1	-73.7	-178.9	156.4	0	0	111.3	R303 W317	R303-E307 HydrophobicContact CG-CG 4.18Å; R303-E307 WeakPolarHBondContact CG-OE2 3.32Å; R303-E307 IonicContact CZ-OE1 2.73Å; R303-E307 IonicContact CZ-OE2 2.77Å; R303-E307 VanDerWaalsContact NE-CD 3.26Å; R303-E307 IonicContact NE-OE1 3.83Å; R303-E307 PolarHBondContact NE-OE1 3.28Å; R303-E307 IonicContact NE-OE2 3.42Å; R303-E307 PolarHBondContact NE-OE2 2.96Å; R303-E307 IonicContact NH2-OE1 2.72Å; R303-E307 PolarHBondContact NH2-OE1 3.49Å; R303-E307 IonicContact NH2-OE2 3.79Å; R303-E307 WeakPolarHBondContact O-CB 3.41Å; R303-E307 WeakPolarHBondContact O-CG 3.31Å; R303-E307 PolarHBondContact O-N 3.49Å; E307-W317 HydrophobicContact CG-CE3 4.21Å
308	R	97.7	Very high	98.2	Very high	104 Å²	104	36.7 Å²	36.7	39%	0.392	21%	0.211	S	C	.	.	H	α-helix	trans	-74.2	-53.4	-177.6	-175	-178.1	-66.4	125.9	4.1	113	D304	D304-R308 VanDerWaalsContact CG-CZ 3.42Å; D304-R308 VanDerWaalsContact CG-NH1 3.27Å; D304-R308 WeakPolarHBondContact O-CB 3.49Å; D304-R308 PolarHBondContact O-N 2.78Å; D304-R308 IonicContact OD1-CZ 3.71Å; D304-R308 IonicContact OD1-NE 2.69Å; D304-R308 IonicContact OD1-NH1 3.13Å; D304-R308 PolarHBondContact OD1-NH1 3.18Å; D304-R308 IonicContact OD1-NH2 2.76Å; D304-R308 PolarHBondContact OD1-NH2 3.38Å; D304-R308 IonicContact OD2-CZ 2.9Å; D304-R308 IonicContact OD2-NH1 3.79Å; D304-R308 PolarHBondContact OD2-NH1 2.82Å; D304-R308 IonicContact OD2-NH2 3.86Å; D304-R308 PolarHBondContact OD2-NH2 3.02Å
309	H	98.3	Very high	98.2	Very high	49 Å²	49	38.9 Å²	38.9	23%	0.227	22%	0.223	C	C	.	.	H	α-helix	trans	-94.8	-31.9	-166.9	-68.2	-73.4	0	0	0	113.5	I284 C292 V294 E296 L305	I284-H309 HydrophobicContact CD1-CB 4.15Å; C292-H309 PolarHBondContact SG-O 3.18Å; C292-H309 VanDerWaalsContact SG-O 3.38Å; V294-H309 HydrophobicContact CG1-CB 3.97Å; E296-H309 IonicContact OE2-CD2 3.74Å; E296-H309 IonicContact OE2-CE1 3.56Å; E296-H309 PolarHBondContact OE2-CE1 2.68Å; E296-H309 IonicContact OE2-NE2 3.5Å; E296-H309 PolarHBondContact OE2-NE2 2.77Å; L305-H309 WeakPolarHBondContact O-CB 3.2Å; L305-H309 PolarHBondContact O-N 2.74Å; L305-H309 VanDerWaalsContact O-N 3.11Å
310	A	98.4	Very high	98.3	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.223	C	C	.	.	S	Bend	trans	-98.4	6	178.2	0	0	0	0	0	113.8	I284 V288 N290 I306 G312	I284-A310 HydrophobicContact CB-CB 4.06Å; I284-A310 HydrophobicContact CD1-CB 3.86Å; I284-A310 HydrophobicContact CG2-CB 3.6Å; V288-A310 HydrophobicContact CB-CB 3.92Å; V288-A310 HydrophobicContact CG1-CB 4.16Å; V288-A310 HydrophobicContact CG2-CB 4Å; N290-A310 PolarHBondContact N-O 3.18Å; N290-A310 VanDerWaalsContact O-CA 3.3Å; N290-A310 WeakPolarHBondContact O-CA 3.37Å; I306-A310 CarbonylContact O-C 3.47Å; I306-A310 WeakPolarHBondContact O-CB 3.27Å; I306-A310 PolarHBondContact O-N 2.98Å; A310-G312 PolarHBondContact O-N 2.87Å
311	G	98.1	Very high	98.3	Very high	34 Å²	34	40.6 Å²	40.6	35%	0.351	23%	0.232	S	C	.	.			trans	66.3	20.3	-178	0	0	0	0	0	114	N289 I306	N289-G311 PolarHBondContact ND2-O 3.02Å; I306-G311 PolarHBondContact O-N 3.49Å
312	G	98.5	Very high	98.3	Very high	10 Å²	10	38.6 Å²	38.6	10%	0.103	22%	0.219	C	C	.	.	S	Bend	trans	83.6	172.9	-179.4	0	0	0	0	0	115.2	V288 N289 I306 A310	V288-G312 WeakPolarHBondContact CA-O 3.46Å; N289-G312 PolarHBondContact N-O 2.74Å; N289-G312 PolarHBondContact ND2-O 3.37Å; I306-G312 PolarHBondContact O-N 3.29Å; A310-G312 PolarHBondContact O-N 2.87Å
313	V	98.7	Very high	98.3	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.006	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-71.3	143.4	176.4	-177.1	0	0	0	0	109.6	I306 G315 G316 W317 L320 V362 N364	I306-V313 HydrophobicContact CG2-CG2 4.06Å; V313-G315 PolarHBondContact O-N 3.24Å; V313-G315 VanDerWaalsContact O-N 3.11Å; V313-G316 PolarHBondContact O-N 3.01Å; V313-W317 HydrophobicContact CG2-CE3 3.9Å; V313-W317 HydrophobicContact CG2-CZ3 4.15Å; V313-L320 HydrophobicContact CG1-CB 4.46Å; V313-L320 HydrophobicContact CG1-CD1 4.42Å; V313-L320 HydrophobicContact CG2-CB 4.28Å; V313-L320 HydrophobicContact CG2-CD1 4.04Å; V313-V362 HydrophobicContact CG1-CG1 4.33Å; V313-V362 HydrophobicContact CG2-CG1 4.05Å; V313-N364 HydrophobicContact CG1-CB 3.88Å
314	I	98.6	Very high	98.4	Very high	73 Å²	73	34 Å²	34	37%	0.374	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	117.1	174.8	-62	171.5	0	0	0	109	H287 N319	H287-I314 HydrophobicContact CB-CD1 4.3Å; H287-I314 PolarHBondContact O-N 2.9Å; I314-N319 PolarHBondContact O-ND2 3.14Å
315	G	98.2	Very high	98.4	Very high	65 Å²	65	32 Å²	32	67%	0.67	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.9	10.5	-174.1	0	0	0	0	0	115.2	V313	V313-G315 PolarHBondContact O-N 3.24Å; V313-G315 VanDerWaalsContact O-N 3.11Å
316	G	98.3	Very high	98.3	Very high	36 Å²	36	32 Å²	32	37%	0.371	19%	0.191	S	C	.	.			trans	88.5	165.3	178.6	0	0	0	0	0	113.9	V313 D318 N319	V313-G316 PolarHBondContact O-N 3.01Å; G316-D318 PolarHBondContact O-N 3.46Å; G316-D318 VanDerWaalsContact O-N 3.15Å; G316-N319 WeakPolarHBondContact O-CB 3.25Å; G316-N319 PolarHBondContact O-N 3.4Å
317	W	98.4	Very high	98.1	Very high	21 Å²	21	32 Å²	32	8%	0.08	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-57.8	-30.4	-177.6	-169	-103.9	0	0	0	112.9	R303 I306 E307 V313 N319 L320 K335 C338 S339	R303-W317 VanDerWaalsContact CA-CH2 3.45Å; R303-W317 HydrophobicContact CB-CH2 3.64Å; R303-W317 HydrophobicContact CB-CZ2 3.67Å; R303-W317 HydrophobicContact CB-CZ3 4.15Å; R303-W317 HydrophobicContact CG-CD2 3.97Å; R303-W317 HydrophobicContact CG-CE3 4.02Å; R303-W317 HydrophobicContact CG-CH2 3.88Å; R303-W317 HydrophobicContact CG-CZ2 3.79Å; R303-W317 HydrophobicContact CG-CZ3 3.98Å; I306-W317 HydrophobicContact CB-CZ3 4.05Å; I306-W317 HydrophobicContact CD1-CH2 4.15Å; I306-W317 HydrophobicContact CD1-CZ3 3.97Å; I306-W317 HydrophobicContact CG2-CZ3 4.05Å; E307-W317 HydrophobicContact CG-CE3 4.21Å; V313-W317 HydrophobicContact CG2-CE3 3.9Å; V313-W317 HydrophobicContact CG2-CZ3 4.15Å; W317-N319 PolarHBondContact O-N 3.25Å; W317-L320 HydrophobicContact CD2-CD2 4.39Å; W317-L320 HydrophobicContact CE3-CD2 4.42Å; W317-L320 HydrophobicContact CH2-CD2 3.69Å; W317-L320 HydrophobicContact CZ2-CD2 3.66Å; W317-L320 HydrophobicContact CZ3-CD2 4.09Å; W317-L320 WeakPolarHBondContact O-CB 2.89Å; W317-L320 PolarHBondContact O-N 3.48Å; W317-L320 VanDerWaalsContact O-N 3.07Å; W317-K335 VanDerWaalsContact O-CE 3.32Å; W317-K335 WeakPolarHBondContact O-CE 3.37Å; W317-C338 HydrophobicContact CZ2-CB 4.28Å; W317-S339 PolarHBondContact NE1-OG 3.28Å
318	D	98	Very high	98	Very high	118 Å²	118	28.4 Å²	28.4	63%	0.631	17%	0.174	S	C	*	.	G	3₁₀ helix	trans	-67.3	-22.4	177.1	-72.6	-35.8	0	0	0	114.3	G316 L320 K335 R365	G316-D318 PolarHBondContact O-N 3.46Å; G316-D318 VanDerWaalsContact O-N 3.15Å; D318-L320 VanDerWaalsContact C-N 3.27Å; D318-L320 PolarHBondContact O-N 3.03Å; D318-K335 IonicContact OD1-NZ 3.4Å; D318-K335 PolarHBondContact OD1-NZ 3.49Å; D318-R365 PolarHBondContact O-NE 2.84Å; D318-R365 PolarHBondContact O-NH2 3.32Å
319	N	98.4	Very high	97.9	Very high	47 Å²	47	24.4 Å²	24.4	25%	0.251	16%	0.162	S	C	.	.	G	3₁₀ helix	trans	-83	0.2	174.1	-160.1	31.1	0	0	0	113.1	I314 G316 W317 N364 R365	I314-N319 PolarHBondContact O-ND2 3.14Å; G316-N319 WeakPolarHBondContact O-CB 3.25Å; G316-N319 PolarHBondContact O-N 3.4Å; W317-N319 PolarHBondContact O-N 3.25Å; N319-N364 CarbonylContact O-C 3.18Å; N319-N364 WeakPolarHBondContact O-CA 3.49Å; N319-N364 VanDerWaalsContact O-CB 3.24Å; N319-N364 WeakPolarHBondContact O-CB 3.48Å; N319-R365 WeakPolarHBondContact O-CG 3.38Å; N319-R365 PolarHBondContact O-N 2.8Å
320	L	98.7	Very high	97.8	Very high	2 Å²	2	22.3 Å²	22.3	1%	0.01	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	135.2	174.9	-175.1	63.4	0	0	0	111.1	V313 W317 D318 V323 K335 C338 V362	V313-L320 HydrophobicContact CG1-CB 4.46Å; V313-L320 HydrophobicContact CG1-CD1 4.42Å; V313-L320 HydrophobicContact CG2-CB 4.28Å; V313-L320 HydrophobicContact CG2-CD1 4.04Å; W317-L320 HydrophobicContact CD2-CD2 4.39Å; W317-L320 HydrophobicContact CE3-CD2 4.42Å; W317-L320 HydrophobicContact CH2-CD2 3.69Å; W317-L320 HydrophobicContact CZ2-CD2 3.66Å; W317-L320 HydrophobicContact CZ3-CD2 4.09Å; W317-L320 WeakPolarHBondContact O-CB 2.89Å; W317-L320 PolarHBondContact O-N 3.48Å; W317-L320 VanDerWaalsContact O-N 3.07Å; D318-L320 VanDerWaalsContact C-N 3.27Å; D318-L320 PolarHBondContact O-N 3.03Å; L320-V323 HydrophobicContact CD1-CG2 3.78Å; L320-V323 HydrophobicContact CD2-CG2 4.13Å; L320-V323 HydrophobicContact CG-CG2 4.49Å; L320-K335 HydrophobicContact CB-CB 4.35Å; L320-K335 HydrophobicContact CB-CD 4.35Å; L320-K335 HydrophobicContact CB-CG 4.1Å; L320-K335 HydrophobicContact CD2-CB 4.22Å; L320-K335 HydrophobicContact CD2-CG 4.14Å; L320-K335 HydrophobicContact CG-CB 4.23Å; L320-K335 HydrophobicContact CG-CG 4.36Å; L320-C338 HydrophobicContact CD2-CB 4.07Å; L320-V362 HydrophobicContact CD1-CG1 3.71Å
321	L	98.6	Very high	97.8	Very high	33 Å²	33	22.7 Å²	22.7	17%	0.173	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	-61.1	171.2	-177.5	66.4	0	0	0	110.1	K335 M363 R365 V369 F448	L321-K335 PolarHBondContact O-N 3.18Å; L321-M363 WeakPolarHBondContact CA-O 3.16Å; L321-M363 WeakPolarHBondContact CB-O 3.22Å; L321-M363 PolarHBondContact N-O 3.14Å; L321-R365 HydrophobicContact CB-CG 4.26Å; L321-R365 HydrophobicContact CD1-CG 4.43Å; L321-V369 HydrophobicContact CD2-CB 3.93Å; L321-V369 HydrophobicContact CD2-CG1 4.32Å; L321-F448 HydrophobicContact CD1-CE1 3.62Å; L321-F448 HydrophobicContact CD1-CZ 4.13Å; L321-F448 HydrophobicContact CG-CE1 3.93Å; L321-F448 HydrophobicContact CG-CZ 4.06Å
322	A	98.6	Very high	97.8	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	163	-177.9	0	0	0	0	0	111.8	L332 L333 M363 F448	A322-L332 HydrophobicContact CB-CD1 3.99Å; A322-L333 CarbonylContact C-O 3.51Å; A322-L333 WeakPolarHBondContact CA-O 3.48Å; A322-L333 WeakPolarHBondContact CB-O 3.37Å; A322-M363 HydrophobicContact CB-CE 3.98Å; A322-M363 PolarHBondContact N-O 2.76Å; A322-M363 VanDerWaalsContact N-O 3.12Å; A322-M363 PolarHBondContact O-N 3.11Å; A322-F448 HydrophobicContact CB-CE2 3.99Å; A322-F448 HydrophobicContact CB-CZ 3.92Å
323	V	98.8	Very high	97.8	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	133.5	172.7	-176.1	0	0	0	0	108.9	M302 I306 L320 P325 L332 L333 L360 I361 V362	M302-V323 HydrophobicContact CE-CG1 4.34Å; M302-V323 HydrophobicContact SD-CB 3.97Å; M302-V323 HydrophobicContact SD-CG1 3.99Å; M302-V323 HydrophobicContact SD-CG2 4.07Å; I306-V323 HydrophobicContact CD1-CG2 4.3Å; L320-V323 HydrophobicContact CD1-CG2 3.78Å; L320-V323 HydrophobicContact CD2-CG2 4.13Å; L320-V323 HydrophobicContact CG-CG2 4.49Å; V323-P325 WeakPolarHBondContact O-CD 3.31Å; V323-L332 CarbonylContact O-C 3.59Å; V323-L332 WeakPolarHBondContact O-CA 3.42Å; V323-L333 PolarHBondContact N-O 3.11Å; V323-L333 PolarHBondContact O-N 3.29Å; V323-L360 HydrophobicContact CG1-CB 4.14Å; V323-L360 HydrophobicContact CG1-CD2 4.41Å; V323-I361 WeakPolarHBondContact CA-O 3.19Å; V323-V362 HydrophobicContact CG1-CG2 4.35Å; V323-V362 HydrophobicContact CG2-CG2 4.33Å
324	I	98.7	Very high	97.8	Very high	4 Å²	4	21.3 Å²	21.3	2%	0.021	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	112	161.9	-62.6	167.9	0	0	0	106.6	G327 T330 L332 L360 I361 M363 I373 L376	I324-G327 WeakPolarHBondContact CG2-O 3.24Å; I324-T330 WeakPolarHBondContact CG2-O 3.48Å; I324-T330 VanDerWaalsContact CG2-OG1 3.31Å; I324-T330 WeakPolarHBondContact CG2-OG1 3.31Å; I324-L332 HydrophobicContact CG1-CB 3.77Å; I324-L360 CarbonylContact O-C 3.55Å; I324-L360 VanDerWaalsContact O-CA 3.27Å; I324-L360 WeakPolarHBondContact O-CA 3.43Å; I324-I361 HydrophobicContact CB-CB 4.12Å; I324-I361 HydrophobicContact CB-CD1 4.49Å; I324-I361 HydrophobicContact CD1-CD1 4.34Å; I324-I361 PolarHBondContact N-O 3.1Å; I324-I361 PolarHBondContact O-N 2.8Å; I324-M363 HydrophobicContact CD1-CE 4.25Å; I324-M363 HydrophobicContact CG1-CE 4.05Å; I324-I373 HydrophobicContact CD1-CD1 4.14Å; I324-L376 HydrophobicContact CD1-CD1 3.58Å
325	P	98	Very high	97.8	Very high	0 Å²	0	20 Å²	20	0%	0	13%	0.13	C	C	.	.	S	Bend	trans	-77.6	-24.5	-165.7	28.3	-35.3	0	0	0	115	M302 V323 P331 L333 M343 L348 S353 G354 A359	M302-P325 HydrophobicContact CE-CB 3.73Å; V323-P325 WeakPolarHBondContact O-CD 3.31Å; P325-P331 WeakPolarHBondContact CD-O 3.45Å; P325-L333 HydrophobicContact CG-CD1 4.15Å; P325-L333 HydrophobicContact CG-CG 4.47Å; P325-M343 HydrophobicContact CB-CE 4.28Å; P325-L348 HydrophobicContact CB-CD1 3.96Å; P325-L348 HydrophobicContact CB-CD2 3.83Å; P325-L348 HydrophobicContact CG-CD1 4.41Å; P325-L348 HydrophobicContact CG-CD2 3.99Å; P325-S353 VanDerWaalsContact CG-OG 3.23Å; P325-S353 WeakPolarHBondContact CG-OG 3.45Å; P325-G354 WeakPolarHBondContact CG-O 3.4Å; P325-A359 CarbonylContact C-O 3.22Å; P325-A359 CarbonylContact O-C 3.53Å
326	G	95.5	Very high	97.8	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.126	C	C	.	.	S	Bend	trans	-134.4	29.5	-161.3	0	0	0	0	0	117	T330 L355 G356 T357 A359	G326-T330 WeakPolarHBondContact CA-OG1 3.46Å; G326-T330 PolarHBondContact N-OG1 2.83Å; G326-L355 WeakPolarHBondContact CA-O 3.08Å; G326-G356 CarbonylContact O-C 3.42Å; G326-G356 VanDerWaalsContact O-CA 3.25Å; G326-G356 WeakPolarHBondContact O-CA 3.31Å; G326-T357 PolarHBondContact O-N 2.95Å; G326-T357 PolarHBondContact O-OG1 2.73Å; G326-A359 PolarHBondContact N-O 2.75Å
327	G	95.1	Very high	97.8	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.12	C	C	.	.	S	Bend	trans	86.3	164.4	-166.4	0	0	0	0	0	111	E127 I324 S329 T330 A359	E127-G327 VanDerWaalsContact OE1-C 3.22Å; I324-G327 WeakPolarHBondContact CG2-O 3.24Å; G327-S329 PolarHBondContact O-N 2.79Å; G327-T330 PolarHBondContact O-N 2.97Å; G327-T330 PolarHBondContact O-OG1 2.74Å; G327-A359 PolarHBondContact N-O 3.19Å
328	S	96.3	Very high	97.7	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-19.9	-171.9	58.4	0	0	0	0	115.1	E127 P128 T330 Y380 P440	E127-S328 PolarHBondContact OE1-N 3.22Å; P128-S328 WeakPolarHBondContact CD-OG 3.05Å; P128-S328 VanDerWaalsContact CG-OG 3.31Å; P128-S328 WeakPolarHBondContact CG-OG 3.28Å; P128-S328 PolarHBondContact O-N 2.84Å; S328-T330 PolarHBondContact O-N 3.43Å; S328-Y380 VanDerWaalsContact C-OH 3.27Å; S328-Y380 PolarHBondContact OG-OH 2.98Å; S328-P440 WeakPolarHBondContact O-CG 3.24Å
329	S	94.9	Very high	97.7	Very high	20 Å²	20	17.9 Å²	17.9	14%	0.14	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-18.6	178.9	51.2	0	0	0	0	112.6	E127 G327 Y380 W439	E127-S329 VanDerWaalsContact OE1-CB 3.22Å; E127-S329 WeakPolarHBondContact OE1-CB 3.36Å; E127-S329 PolarHBondContact OE1-N 2.87Å; E127-S329 PolarHBondContact OE1-OG 2.82Å; G327-S329 PolarHBondContact O-N 2.79Å; S329-Y380 WeakPolarHBondContact CA-OH 3.38Å; S329-Y380 WeakPolarHBondContact CB-OH 3.44Å; S329-Y380 PolarHBondContact N-OH 3.26Å; S329-W439 WeakPolarHBondContact O-CB 3.24Å; S329-W439 VanDerWaalsContact O-CE3 3.25Å
330	T	97.4	Very high	97.7	Very high	4 Å²	4	21.1 Å²	21.1	3%	0.025	12%	0.121	C	C	.	.	S	Bend	trans	-93.4	144.6	-173.5	60.9	0	0	0	0	112.8	I324 G326 G327 S328 L332 G354	I324-T330 WeakPolarHBondContact CG2-O 3.48Å; I324-T330 VanDerWaalsContact CG2-OG1 3.31Å; I324-T330 WeakPolarHBondContact CG2-OG1 3.31Å; G326-T330 WeakPolarHBondContact CA-OG1 3.46Å; G326-T330 PolarHBondContact N-OG1 2.83Å; G327-T330 PolarHBondContact O-N 2.97Å; G327-T330 PolarHBondContact O-OG1 2.74Å; S328-T330 PolarHBondContact O-N 3.43Å; T330-L332 PolarHBondContact O-N 3.06Å; T330-G354 VanDerWaalsContact CG2-O 3.31Å; T330-G354 WeakPolarHBondContact CG2-O 3.44Å
331	P	98.1	Very high	97.6	Very high	9 Å²	9	21.6 Å²	21.6	6%	0.058	12%	0.123	C	C	.	.	P	Polyproline II helix	trans	-57.9	135.4	173	-23.6	32.4	0	0	0	111.9	P325 S353 W439	P325-P331 WeakPolarHBondContact CD-O 3.45Å; P331-S353 WeakPolarHBondContact O-CB 3.47Å; P331-S353 PolarHBondContact O-OG 2.61Å; P331-W439 HydrophobicContact CG-CB 3.91Å; P331-W439 HydrophobicContact CG-CG 4.39Å
332	L	98.4	Very high	97.6	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.125	C	C	.	.	P	Polyproline II helix	trans	-63.7	149.2	172.1	68.3	93.4	0	0	0	111.5	A322 V323 I324 T330 M363 V369 I373 L444 H447 F448	A322-L332 HydrophobicContact CB-CD1 3.99Å; V323-L332 CarbonylContact O-C 3.59Å; V323-L332 WeakPolarHBondContact O-CA 3.42Å; I324-L332 HydrophobicContact CG1-CB 3.77Å; T330-L332 PolarHBondContact O-N 3.06Å; L332-M363 HydrophobicContact CB-CE 4.48Å; L332-V369 HydrophobicContact CD2-CG2 4.21Å; L332-I373 HydrophobicContact CD2-CD1 3.62Å; L332-I373 HydrophobicContact CD2-CG1 3.76Å; L332-L444 HydrophobicContact CD2-CB 4.14Å; L332-L444 HydrophobicContact CD2-CD1 4.37Å; L332-H447 HydrophobicContact CD1-CB 4.21Å; L332-H447 PolarHBondContact O-CD2 2.83Å; L332-H447 VanDerWaalsContact O-CD2 3.22Å; L332-F448 HydrophobicContact CD1-CD2 3.57Å; L332-F448 HydrophobicContact CD1-CE2 3.26Å; L332-F448 HydrophobicContact CD1-CZ 4.46Å
333	L	98.6	Very high	97.6	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	135.5	176.7	-64	179.2	0	0	0	110.5	M302 A322 V323 P325 I337 C338 V341 L348 A351	M302-L333 HydrophobicContact CE-CD1 4.34Å; A322-L333 CarbonylContact C-O 3.51Å; A322-L333 WeakPolarHBondContact CA-O 3.48Å; A322-L333 WeakPolarHBondContact CB-O 3.37Å; V323-L333 PolarHBondContact N-O 3.11Å; V323-L333 PolarHBondContact O-N 3.29Å; P325-L333 HydrophobicContact CG-CD1 4.15Å; P325-L333 HydrophobicContact CG-CG 4.47Å; L333-I337 HydrophobicContact CB-CG2 4.47Å; L333-I337 HydrophobicContact CD1-CG2 4.18Å; L333-I337 HydrophobicContact CD2-CG2 4.21Å; L333-C338 VanDerWaalsContact CB-SG 3.58Å; L333-C338 PolarHBondContact O-SG 3.26Å; L333-C338 VanDerWaalsContact O-SG 3.34Å; L333-V341 HydrophobicContact CD1-CG1 4.49Å; L333-L348 HydrophobicContact CD1-CD2 3.67Å; L333-A351 HydrophobicContact CD1-CB 4.22Å; L333-A351 HydrophobicContact CD2-CB 4.15Å; L333-A351 WeakPolarHBondContact CD2-O 3.35Å
334	P	98.4	Very high	97.5	Very high	15 Å²	15	22 Å²	22	10%	0.097	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	159.9	175.7	33	-37.1	0	0	0	112.2	D336 I337 C338 H447	P334-D336 VanDerWaalsContact C-N 3.27Å; P334-D336 WeakPolarHBondContact CB-OD1 3.46Å; P334-D336 WeakPolarHBondContact CG-OD1 3.29Å; P334-D336 PolarHBondContact O-N 3.34Å; P334-D336 VanDerWaalsContact O-N 3.15Å; P334-I337 HydrophobicContact CG-CB 4.48Å; P334-I337 HydrophobicContact CG-CD1 3.97Å; P334-I337 HydrophobicContact CG-CG1 4.22Å; P334-I337 PolarHBondContact O-N 3.28Å; P334-I337 VanDerWaalsContact O-N 3.11Å; P334-C338 PolarHBondContact O-N 3.03Å; P334-C338 PolarHBondContact O-SG 2.99Å; P334-H447 HydrophobicContact CG-CB 4.32Å
335	K	98.2	Very high	97.4	Very high	45 Å²	45	22.1 Å²	22.1	20%	0.196	13%	0.126	C	C	.	.	H	α-helix	trans	-47.9	-42.9	-175.7	176.4	-170.8	175.3	-160.1	0	114.2	W317 D318 L320 L321 C338 S339	W317-K335 VanDerWaalsContact O-CE 3.32Å; W317-K335 WeakPolarHBondContact O-CE 3.37Å; D318-K335 IonicContact OD1-NZ 3.4Å; D318-K335 PolarHBondContact OD1-NZ 3.49Å; L320-K335 HydrophobicContact CB-CB 4.35Å; L320-K335 HydrophobicContact CB-CD 4.35Å; L320-K335 HydrophobicContact CB-CG 4.1Å; L320-K335 HydrophobicContact CD2-CB 4.22Å; L320-K335 HydrophobicContact CD2-CG 4.14Å; L320-K335 HydrophobicContact CG-CB 4.23Å; L320-K335 HydrophobicContact CG-CG 4.36Å; L321-K335 PolarHBondContact O-N 3.18Å; K335-C338 PolarHBondContact O-N 3.45Å; K335-S339 WeakPolarHBondContact O-CB 3.36Å; K335-S339 PolarHBondContact O-N 3.33Å; K335-S339 PolarHBondContact O-OG 3.27Å
336	D	97.7	Very high	97.3	Very high	112 Å²	112	23.5 Å²	23.5	60%	0.599	13%	0.133	S	C	*	.	H	α-helix	trans	-59.6	-46.1	-178.2	56.5	-47.9	0	0	0	111.5	P334 S339	P334-D336 VanDerWaalsContact C-N 3.27Å; P334-D336 WeakPolarHBondContact CB-OD1 3.46Å; P334-D336 WeakPolarHBondContact CG-OD1 3.29Å; P334-D336 PolarHBondContact O-N 3.34Å; P334-D336 VanDerWaalsContact O-N 3.15Å; D336-S339 PolarHBondContact O-N 3.02Å
337	I	98.2	Very high	97.4	Very high	46 Å²	46	24 Å²	24	24%	0.236	14%	0.138	C	C	.	.	H	α-helix	trans	-70	-44.2	175.3	-64	175.1	0	0	0	110.7	L333 P334 S339 T340 V341 A351	L333-I337 HydrophobicContact CB-CG2 4.47Å; L333-I337 HydrophobicContact CD1-CG2 4.18Å; L333-I337 HydrophobicContact CD2-CG2 4.21Å; P334-I337 HydrophobicContact CG-CB 4.48Å; P334-I337 HydrophobicContact CG-CD1 3.97Å; P334-I337 HydrophobicContact CG-CG1 4.22Å; P334-I337 PolarHBondContact O-N 3.28Å; P334-I337 VanDerWaalsContact O-N 3.11Å; I337-S339 PolarHBondContact O-N 3.15Å; I337-S339 VanDerWaalsContact O-N 3.1Å; I337-T340 PolarHBondContact O-N 3.34Å; I337-T340 VanDerWaalsContact O-N 3.14Å; I337-V341 HydrophobicContact CG2-CB 4.34Å; I337-V341 WeakPolarHBondContact O-CB 3.35Å; I337-V341 PolarHBondContact O-N 2.86Å; I337-A351 HydrophobicContact CG2-CB 3.94Å
338	C	98.2	Very high	97.6	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-58.2	-25.9	178.7	-65.4	0	0	0	0	113.2	M302 W317 L320 L333 P334 K335 T340	M302-C338 HydrophobicContact SD-CB 3.63Å; M302-C338 VanDerWaalsContact SD-SG 3.61Å; W317-C338 HydrophobicContact CZ2-CB 4.28Å; L320-C338 HydrophobicContact CD2-CB 4.07Å; L333-C338 VanDerWaalsContact CB-SG 3.58Å; L333-C338 PolarHBondContact O-SG 3.26Å; L333-C338 VanDerWaalsContact O-SG 3.34Å; P334-C338 PolarHBondContact O-N 3.03Å; P334-C338 PolarHBondContact O-SG 2.99Å; K335-C338 PolarHBondContact O-N 3.45Å; C338-T340 VanDerWaalsContact C-N 3.29Å; C338-T340 PolarHBondContact O-N 2.63Å
339	S	97.8	Very high	97.6	Very high	39 Å²	39	28.5 Å²	28.5	27%	0.273	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-20.5	-178.4	-61.9	0	0	0	0	113.5	W317 K335 D336 I337	W317-S339 PolarHBondContact NE1-OG 3.28Å; K335-S339 WeakPolarHBondContact O-CB 3.36Å; K335-S339 PolarHBondContact O-N 3.33Å; K335-S339 PolarHBondContact O-OG 3.27Å; D336-S339 PolarHBondContact O-N 3.02Å; I337-S339 PolarHBondContact O-N 3.15Å; I337-S339 VanDerWaalsContact O-N 3.1Å
340	T	97	Very high	97.7	Very high	115 Å²	115	34.6 Å²	34.6	71%	0.706	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-126	-13.7	-176	59.8	0	0	0	0	114.1	I337 C338	I337-T340 PolarHBondContact O-N 3.34Å; I337-T340 VanDerWaalsContact O-N 3.14Å; C338-T340 VanDerWaalsContact C-N 3.29Å; C338-T340 PolarHBondContact O-N 2.63Å
341	V	97.9	Very high	97.7	Very high	11 Å²	11	35 Å²	35	7%	0.067	20%	0.195	C	C	.	.			trans	-72.4	143.8	-175	74.9	0	0	0	0	112.4	M302 L333 I337 L348 A351	M302-V341 HydrophobicContact CB-CG1 3.84Å; M302-V341 HydrophobicContact CE-CG1 3.67Å; M302-V341 PolarHBondContact N-O 2.84Å; M302-V341 HydrophobicContact SD-CG1 4.14Å; L333-V341 HydrophobicContact CD1-CG1 4.49Å; I337-V341 HydrophobicContact CG2-CB 4.34Å; I337-V341 WeakPolarHBondContact O-CB 3.35Å; I337-V341 PolarHBondContact O-N 2.86Å; V341-L348 HydrophobicContact CG1-CD2 4.42Å; V341-L348 HydrophobicContact CG2-CD2 3.8Å; V341-L348 HydrophobicContact CG2-CG 4.47Å; V341-A351 HydrophobicContact CG2-CB 4.12Å
342	L	98.1	Very high	97.6	Very high	41 Å²	41	39.7 Å²	39.7	22%	0.215	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-91.4	143.8	173.3	-55.1	-176.9	0	0	0	110.7	Y38 S299 P301 D344 A347	Y38-L342 HydrophobicContact CD2-CD1 4.4Å; Y38-L342 HydrophobicContact CE2-CD1 4.32Å; S299-L342 WeakPolarHBondContact O-CD2 3.23Å; P301-L342 HydrophobicContact CB-CD2 4.26Å; P301-L342 HydrophobicContact CG-CD2 3.92Å; L342-D344 VanDerWaalsContact C-N 3.29Å; L342-D344 PolarHBondContact O-N 2.91Å; L342-A347 HydrophobicContact CB-CB 3.95Å
343	M	98.2	Very high	97.6	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.224	C	C	.	.	S	Bend	trans	-84.3	72.1	177.4	-67.2	-57.8	-60.5	0	0	111.1	F282 S299 I300 M302 L305 P325 L348 L355 L360	F282-M343 HydrophobicContact CD1-CE 4.28Å; F282-M343 HydrophobicContact CE1-CB 3.72Å; F282-M343 HydrophobicContact CE1-CE 4.04Å; F282-M343 HydrophobicContact CE1-CG 4.37Å; F282-M343 HydrophobicContact CZ-CB 4Å; S299-M343 PolarHBondContact N-O 3.18Å; I300-M343 HydrophobicContact CG2-CB 4.07Å; I300-M343 WeakPolarHBondContact O-CB 3.44Å; I300-M343 PolarHBondContact O-N 2.95Å; M302-M343 HydrophobicContact CB-CG 3.92Å; M302-M343 HydrophobicContact CB-SD 3.77Å; M302-M343 HydrophobicContact CE-SD 3.41Å; M302-M343 WeakPolarHBondContact CE-SD 3.35Å; M302-M343 HydrophobicContact CG-CG 4.42Å; M302-M343 HydrophobicContact CG-SD 3.86Å; L305-M343 HydrophobicContact CD2-CG 4.07Å; P325-M343 HydrophobicContact CB-CE 4.28Å; M343-L348 HydrophobicContact CE-CD1 4.19Å; M343-L348 HydrophobicContact SD-CD1 4.32Å; M343-L355 HydrophobicContact CE-CD1 3.8Å; M343-L360 HydrophobicContact CE-CD1 3.89Å; M343-L360 HydrophobicContact CE-CD2 3.88Å; M343-L360 HydrophobicContact CE-CG 3.83Å; M343-L360 HydrophobicContact SD-CD2 4.04Å
344	D	97.4	Very high	97.5	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.232	C	C	.	.	S	Bend	trans	-142.1	172.4	170.2	68.1	52.4	0	0	0	111.9	R273 N276 M298 S299 L342 D346 A347 L348	R273-D344 IonicContact CZ-OD1 2.63Å; R273-D344 IonicContact CZ-OD2 3.81Å; R273-D344 IonicContact NE-OD2 3.07Å; R273-D344 PolarHBondContact NE-OD2 2.75Å; R273-D344 IonicContact NH2-OD1 3.23Å; R273-D344 PolarHBondContact NH2-OD1 3.36Å; R273-D344 IonicContact NH2-OD2 2.84Å; R273-D344 PolarHBondContact NH2-OD2 2.91Å; N276-D344 HydrophobicContact CB-CB 3.73Å; M298-D344 HydrophobicContact CE-CB 3.86Å; S299-D344 WeakPolarHBondContact CB-OD2 3.5Å; S299-D344 PolarHBondContact OG-OD2 2.85Å; S299-D344 VanDerWaalsContact OG-OD2 3.11Å; L342-D344 VanDerWaalsContact C-N 3.29Å; L342-D344 PolarHBondContact O-N 2.91Å; D344-D346 PolarHBondContact OD1-N 2.81Å; D344-D346 VanDerWaalsContact OD1-N 3.08Å; D344-A347 VanDerWaalsContact OD1-CB 3.23Å; D344-A347 WeakPolarHBondContact OD1-CB 3.48Å; D344-A347 PolarHBondContact OD1-N 2.86Å; D344-L348 WeakPolarHBondContact O-CB 3.44Å; D344-L348 WeakPolarHBondContact O-CD1 3.44Å; D344-L348 WeakPolarHBondContact O-CG 3.39Å; D344-L348 PolarHBondContact O-N 3.15Å
345	F	95.8	Very high	97.4	Very high	8 Å²	8	40.5 Å²	40.5	4%	0.035	23%	0.228	C	C	.	.	H	α-helix	trans	-65.3	-45	-174.7	-63.6	-81.1	0	0	0	111.9	R92 G98 N276 M298 V349 L355	R92-F345 HydrophobicContact CB-CD2 4.37Å; R92-F345 HydrophobicContact CB-CE2 3.79Å; R92-F345 HydrophobicContact CB-CZ 4.34Å; G98-F345 VanDerWaalsContact CA-CE1 3.47Å; N276-F345 WeakPolarHBondContact OD1-CB 3.29Å; N276-F345 PolarHBondContact OD1-N 2.88Å; N276-F345 VanDerWaalsContact OD1-N 3.08Å; M298-F345 HydrophobicContact CE-CD2 3.7Å; M298-F345 HydrophobicContact CE-CE2 3.74Å; F345-V349 VanDerWaalsContact O-CG2 3.23Å; F345-V349 WeakPolarHBondContact O-CG2 3.32Å; F345-V349 PolarHBondContact O-N 3.12Å; F345-V349 VanDerWaalsContact O-N 3.17Å; F345-L355 HydrophobicContact CD1-CB 3.72Å; F345-L355 HydrophobicContact CD1-CD2 3.87Å; F345-L355 HydrophobicContact CD1-CG 4.36Å; F345-L355 HydrophobicContact CD2-CD2 3.96Å; F345-L355 HydrophobicContact CE1-CB 4.1Å; F345-L355 HydrophobicContact CE1-CD2 3.83Å; F345-L355 HydrophobicContact CE1-CG 4.38Å; F345-L355 HydrophobicContact CE2-CD2 3.92Å; F345-L355 HydrophobicContact CG-CB 4.24Å; F345-L355 HydrophobicContact CG-CD2 3.93Å; F345-L355 HydrophobicContact CZ-CD2 3.86Å
346	D	97	Very high	97.3	Very high	29 Å²	29	38.8 Å²	38.8	16%	0.155	22%	0.223	C	C	.	.	H	α-helix	trans	-79.4	-36.3	-168.8	-62.2	-13	0	0	0	112	R92 R275 N276 D344 V349 Q350	R92-D346 IonicContact CZ-OD1 3.5Å; R92-D346 IonicContact NH1-OD1 2.81Å; R92-D346 PolarHBondContact NH1-OD1 2.96Å; R92-D346 IonicContact NH1-OD2 3.19Å; R92-D346 IonicContact NH2-OD1 3.25Å; R275-D346 IonicContact NE-OD2 3.52Å; N276-D346 VanDerWaalsContact ND2-CG 3.26Å; N276-D346 PolarHBondContact ND2-OD2 3.22Å; N276-D346 PolarHBondContact OD1-N 2.88Å; D344-D346 PolarHBondContact OD1-N 2.81Å; D344-D346 VanDerWaalsContact OD1-N 3.08Å; D346-V349 PolarHBondContact O-N 3.35Å; D346-Q350 VanDerWaalsContact O-CG 3.29Å; D346-Q350 WeakPolarHBondContact O-CG 3.33Å; D346-Q350 PolarHBondContact O-N 3.04Å
347	A	97.4	Very high	97.2	Very high	11 Å²	11	34 Å²	34	9%	0.091	20%	0.197	C	C	.	.	H	α-helix	trans	-65.7	-40.7	176	0	0	0	0	0	111.6	L342 D344 Q350 A351	L342-A347 HydrophobicContact CB-CB 3.95Å; D344-A347 VanDerWaalsContact OD1-CB 3.23Å; D344-A347 WeakPolarHBondContact OD1-CB 3.48Å; D344-A347 PolarHBondContact OD1-N 2.86Å; A347-Q350 WeakPolarHBondContact O-CB 3.24Å; A347-Q350 PolarHBondContact O-N 3.43Å; A347-A351 PolarHBondContact O-N 2.97Å
348	L	98	Very high	97.2	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-71.1	-34.2	177.9	-71.8	170.5	0	0	0	112.4	M302 P325 L333 V341 M343 D344 Q350 A351 N352 S353 L355	M302-L348 HydrophobicContact CE-CD2 4.32Å; P325-L348 HydrophobicContact CB-CD1 3.96Å; P325-L348 HydrophobicContact CB-CD2 3.83Å; P325-L348 HydrophobicContact CG-CD1 4.41Å; P325-L348 HydrophobicContact CG-CD2 3.99Å; L333-L348 HydrophobicContact CD1-CD2 3.67Å; V341-L348 HydrophobicContact CG1-CD2 4.42Å; V341-L348 HydrophobicContact CG2-CD2 3.8Å; V341-L348 HydrophobicContact CG2-CG 4.47Å; M343-L348 HydrophobicContact CE-CD1 4.19Å; M343-L348 HydrophobicContact SD-CD1 4.32Å; D344-L348 WeakPolarHBondContact O-CB 3.44Å; D344-L348 WeakPolarHBondContact O-CD1 3.44Å; D344-L348 WeakPolarHBondContact O-CG 3.39Å; D344-L348 PolarHBondContact O-N 3.15Å; L348-Q350 VanDerWaalsContact C-N 3.34Å; L348-A351 CarbonylContact O-C 3.54Å; L348-A351 PolarHBondContact O-N 2.98Å; L348-N352 PolarHBondContact O-N 3.46Å; L348-S353 CarbonylContact C-O 3.6Å; L348-S353 CarbonylContact O-C 3.55Å; L348-S353 VanDerWaalsContact O-C 3.22Å; L348-S353 WeakPolarHBondContact O-CA 3.14Å; L348-S353 PolarHBondContact O-N 3.09Å; L348-S353 VanDerWaalsContact O-O 3.12Å; L348-L355 VanDerWaalsContact CD1-CA 3.47Å; L348-L355 HydrophobicContact CD1-CB 3.8Å; L348-L355 HydrophobicContact CD1-CD1 3.53Å; L348-L355 HydrophobicContact CD1-CG 4.28Å
349	V	96.7	Very high	97.2	Very high	93 Å²	93	31.8 Å²	31.8	56%	0.564	19%	0.186	S	C	*	.	H	α-helix	trans	-62	-42.8	169.9	168.9	0	0	0	0	111	F345 D346 A351 N352 S353	F345-V349 VanDerWaalsContact O-CG2 3.23Å; F345-V349 WeakPolarHBondContact O-CG2 3.32Å; F345-V349 PolarHBondContact O-N 3.12Å; F345-V349 VanDerWaalsContact O-N 3.17Å; D346-V349 PolarHBondContact O-N 3.35Å; V349-A351 PolarHBondContact O-N 2.99Å; V349-N352 PolarHBondContact O-N 3.48Å; V349-S353 WeakPolarHBondContact CA-O 3.15Å
350	Q	97.1	Very high	97.3	Very high	148 Å²	148	29.9 Å²	29.9	69%	0.692	17%	0.173	S	C	*	.	H	α-helix	trans	-62.8	-30.7	174.8	-71.1	170.5	8.4	0	0	112.5	D346 A347 L348 N352	D346-Q350 VanDerWaalsContact O-CG 3.29Å; D346-Q350 WeakPolarHBondContact O-CG 3.33Å; D346-Q350 PolarHBondContact O-N 3.04Å; A347-Q350 WeakPolarHBondContact O-CB 3.24Å; A347-Q350 PolarHBondContact O-N 3.43Å; L348-Q350 VanDerWaalsContact C-N 3.34Å; Q350-N352 PolarHBondContact O-N 3.32Å
351	A	97.3	Very high	97.3	Very high	14 Å²	14	25.9 Å²	25.9	12%	0.116	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79	10.4	172.9	0	0	0	0	0	114	L333 I337 V341 A347 L348 V349 S353	L333-A351 HydrophobicContact CD1-CB 4.22Å; L333-A351 HydrophobicContact CD2-CB 4.15Å; L333-A351 WeakPolarHBondContact CD2-O 3.35Å; I337-A351 HydrophobicContact CG2-CB 3.94Å; V341-A351 HydrophobicContact CG2-CB 4.12Å; A347-A351 PolarHBondContact O-N 2.97Å; L348-A351 CarbonylContact O-C 3.54Å; L348-A351 PolarHBondContact O-N 2.98Å; V349-A351 PolarHBondContact O-N 2.99Å; A351-S353 VanDerWaalsContact C-N 3.27Å; A351-S353 PolarHBondContact O-N 2.86Å
352	N	96.6	Very high	97.4	Very high	106 Å²	106	25.4 Å²	25.4	57%	0.567	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	58	35.8	-174.5	-60.2	-68.2	0	0	0	113.8	L348 V349 Q350 R446	L348-N352 PolarHBondContact O-N 3.46Å; V349-N352 PolarHBondContact O-N 3.48Å; Q350-N352 PolarHBondContact O-N 3.32Å; N352-R446 PolarHBondContact O-NH2 3.3Å
353	S	97.5	Very high	97.4	Very high	14 Å²	14	23.8 Å²	23.8	10%	0.098	14%	0.136	C	C	.	.	S	Bend	trans	-134.3	-156.5	172	-171.6	0	0	0	0	110.1	P325 P331 L348 V349 A351	P325-S353 VanDerWaalsContact CG-OG 3.23Å; P325-S353 WeakPolarHBondContact CG-OG 3.45Å; P331-S353 WeakPolarHBondContact O-CB 3.47Å; P331-S353 PolarHBondContact O-OG 2.61Å; L348-S353 CarbonylContact C-O 3.6Å; L348-S353 CarbonylContact O-C 3.55Å; L348-S353 VanDerWaalsContact O-C 3.22Å; L348-S353 WeakPolarHBondContact O-CA 3.14Å; L348-S353 PolarHBondContact O-N 3.09Å; L348-S353 VanDerWaalsContact O-O 3.12Å; V349-S353 WeakPolarHBondContact CA-O 3.15Å; A351-S353 VanDerWaalsContact C-N 3.27Å; A351-S353 PolarHBondContact O-N 2.86Å
354	G	96.5	Very high	97.4	Very high	16 Å²	16	24.1 Å²	24.1	17%	0.165	14%	0.137	C	C	.	.			trans	-152.2	159.2	175.6	0	0	0	0	0	111.4	P325 T330	P325-G354 WeakPolarHBondContact CG-O 3.4Å; T330-G354 VanDerWaalsContact CG2-O 3.31Å; T330-G354 WeakPolarHBondContact CG2-O 3.44Å
355	L	97.2	Very high	97.5	Very high	3 Å²	3	31.4 Å²	31.4	2%	0.016	17%	0.165	C	C	.	.			trans	-75.9	-28.5	176.5	-174.8	65.1	0	0	0	112.9	F282 M298 G326 M343 F345 L348 T357 A358	F282-L355 HydrophobicContact CE1-CD1 4.47Å; M298-L355 HydrophobicContact CE-CD2 3.7Å; M298-L355 HydrophobicContact SD-CD2 4.02Å; G326-L355 WeakPolarHBondContact CA-O 3.08Å; M343-L355 HydrophobicContact CE-CD1 3.8Å; F345-L355 HydrophobicContact CD1-CB 3.72Å; F345-L355 HydrophobicContact CD1-CD2 3.87Å; F345-L355 HydrophobicContact CD1-CG 4.36Å; F345-L355 HydrophobicContact CD2-CD2 3.96Å; F345-L355 HydrophobicContact CE1-CB 4.1Å; F345-L355 HydrophobicContact CE1-CD2 3.83Å; F345-L355 HydrophobicContact CE1-CG 4.38Å; F345-L355 HydrophobicContact CE2-CD2 3.92Å; F345-L355 HydrophobicContact CG-CB 4.24Å; F345-L355 HydrophobicContact CG-CD2 3.93Å; F345-L355 HydrophobicContact CZ-CD2 3.86Å; L348-L355 VanDerWaalsContact CD1-CA 3.47Å; L348-L355 HydrophobicContact CD1-CB 3.8Å; L348-L355 HydrophobicContact CD1-CD1 3.53Å; L348-L355 HydrophobicContact CD1-CG 4.28Å; L355-T357 PolarHBondContact O-N 2.67Å; L355-A358 HydrophobicContact CD1-CB 3.9Å; L355-A358 HydrophobicContact CG-CB 4.17Å; L355-A358 WeakPolarHBondContact O-CA 3.12Å; L355-A358 PolarHBondContact O-N 2.86Å
356	G	95.6	Very high	97.5	Very high	8 Å²	8	35.7 Å²	35.7	8%	0.082	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	46	-127.6	-177.3	0	0	0	0	0	112.8	G96 G326 A358	G96-G356 WeakPolarHBondContact CA-O 3.48Å; G326-G356 CarbonylContact O-C 3.42Å; G326-G356 VanDerWaalsContact O-CA 3.25Å; G326-G356 WeakPolarHBondContact O-CA 3.31Å; G356-A358 PolarHBondContact O-N 2.74Å
357	T	96.7	Very high	97.6	Very high	11 Å²	11	35 Å²	35	7%	0.067	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-2.6	178.2	61.7	0	0	0	0	113.6	E127 T130 K132 K280 G326 L355 A359	E127-T357 HydrophobicContact CB-CG2 4.26Å; E127-T357 HydrophobicContact CG-CG2 4.08Å; T130-T357 HydrophobicContact CG2-CG2 3.93Å; T130-T357 WeakPolarHBondContact CG2-OG1 3.46Å; T130-T357 PolarHBondContact OG1-OG1 3.38Å; K132-T357 WeakPolarHBondContact CD-O 3.31Å; K132-T357 VanDerWaalsContact CE-O 3.25Å; K132-T357 WeakPolarHBondContact CE-O 2.98Å; K280-T357 WeakPolarHBondContact CE-O 3.01Å; K280-T357 PolarHBondContact NZ-O 3.15Å; G326-T357 PolarHBondContact O-N 2.95Å; G326-T357 PolarHBondContact O-OG1 2.73Å; L355-T357 PolarHBondContact O-N 2.67Å; T357-A359 VanDerWaalsContact C-N 3.34Å; T357-A359 WeakPolarHBondContact OG1-CB 3.49Å
358	A	97.9	Very high	97.6	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.203	C	C	.	.			trans	61.6	37	-167.6	0	0	0	0	0	113.6	K280 F282 N283 L355 G356	K280-A358 HydrophobicContact CD-CB 4.23Å; K280-A358 HydrophobicContact CG-CB 3.71Å; F282-A358 WeakPolarHBondContact CA-O 3.41Å; F282-A358 HydrophobicContact CD1-CB 3.61Å; F282-A358 HydrophobicContact CE1-CB 3.75Å; N283-A358 PolarHBondContact N-O 3.42Å; N283-A358 VanDerWaalsContact N-O 3.08Å; L355-A358 HydrophobicContact CD1-CB 3.9Å; L355-A358 HydrophobicContact CG-CB 4.17Å; L355-A358 WeakPolarHBondContact O-CA 3.12Å; L355-A358 PolarHBondContact O-N 2.86Å; G356-A358 PolarHBondContact O-N 2.74Å
359	A	98.1	Very high	97.6	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	102.3	169.9	0	0	0	0	0	111.1	G129 T130 N283 P325 G326 G327 T357 I361	G129-A359 VanDerWaalsContact C-CB 3.41Å; G129-A359 WeakPolarHBondContact O-CB 3.41Å; T130-A359 WeakPolarHBondContact OG1-CB 3.1Å; N283-A359 HydrophobicContact CB-CB 4.22Å; N283-A359 CarbonylContact O-C 3.49Å; N283-A359 WeakPolarHBondContact O-CA 3.35Å; P325-A359 CarbonylContact C-O 3.22Å; P325-A359 CarbonylContact O-C 3.53Å; G326-A359 PolarHBondContact N-O 2.75Å; G327-A359 PolarHBondContact N-O 3.19Å; T357-A359 VanDerWaalsContact C-N 3.34Å; T357-A359 WeakPolarHBondContact OG1-CB 3.49Å; A359-I361 PolarHBondContact O-N 3.3Å
360	L	98.6	Very high	97.7	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	117.1	177.5	-59.3	87.3	0	0	0	109.8	F282 N283 I284 S285 M302 L305 I306 V323 I324 M343	F282-L360 HydrophobicContact CB-CD1 4.18Å; F282-L360 HydrophobicContact CD1-CD1 3.86Å; F282-L360 HydrophobicContact CG-CD1 4.48Å; N283-L360 PolarHBondContact O-N 3.02Å; I284-L360 HydrophobicContact CG1-CD1 4.32Å; S285-L360 PolarHBondContact N-O 3.2Å; S285-L360 PolarHBondContact OG-O 2.83Å; M302-L360 HydrophobicContact CG-CD2 3.86Å; L305-L360 HydrophobicContact CD2-CD1 3.88Å; L305-L360 HydrophobicContact CD2-CD2 4.07Å; I306-L360 HydrophobicContact CD1-CD2 4.22Å; I306-L360 HydrophobicContact CG1-CD2 4.23Å; V323-L360 HydrophobicContact CG1-CB 4.14Å; V323-L360 HydrophobicContact CG1-CD2 4.41Å; I324-L360 CarbonylContact O-C 3.55Å; I324-L360 VanDerWaalsContact O-CA 3.27Å; I324-L360 WeakPolarHBondContact O-CA 3.43Å; M343-L360 HydrophobicContact CE-CD1 3.89Å; M343-L360 HydrophobicContact CE-CD2 3.88Å; M343-L360 HydrophobicContact CE-CG 3.83Å; M343-L360 HydrophobicContact SD-CD2 4.04Å
361	I	98.7	Very high	97.7	Very high	30 Å²	30	29.3 Å²	29.3	15%	0.154	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	102.8	170.6	-49.3	171.8	0	0	0	107.7	V323 I324 A359	V323-I361 WeakPolarHBondContact CA-O 3.19Å; I324-I361 HydrophobicContact CB-CB 4.12Å; I324-I361 HydrophobicContact CB-CD1 4.49Å; I324-I361 HydrophobicContact CD1-CD1 4.34Å; I324-I361 PolarHBondContact N-O 3.1Å; I324-I361 PolarHBondContact O-N 2.8Å; A359-I361 PolarHBondContact O-N 3.3Å
362	V	98.8	Very high	97.8	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.006	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	130.6	-176.7	-179.4	0	0	0	0	110	I284 S285 G286 H287 V288 I306 V313 L320 V323	I284-V362 HydrophobicContact CG2-CG2 4.21Å; S285-V362 WeakPolarHBondContact O-CB 3.09Å; S285-V362 PolarHBondContact O-N 3.46Å; G286-V362 CarbonylContact C-O 3.56Å; G286-V362 WeakPolarHBondContact CA-O 3.46Å; H287-V362 PolarHBondContact N-O 3.41Å; V288-V362 HydrophobicContact CG1-CB 3.76Å; V288-V362 HydrophobicContact CG1-CG1 3.85Å; V288-V362 HydrophobicContact CG1-CG2 3.63Å; I306-V362 HydrophobicContact CD1-CG2 3.88Å; I306-V362 HydrophobicContact CG1-CG2 4.37Å; V313-V362 HydrophobicContact CG1-CG1 4.33Å; V313-V362 HydrophobicContact CG2-CG1 4.05Å; L320-V362 HydrophobicContact CD1-CG1 3.71Å; V323-V362 HydrophobicContact CG1-CG2 4.35Å; V323-V362 HydrophobicContact CG2-CG2 4.33Å
363	M	98.7	Very high	97.9	Very high	8 Å²	8	25.8 Å²	25.8	4%	0.039	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	118.6	176	-63.8	173.6	-75.7	0	0	109	L321 A322 I324 L332 A367 V369 C372	L321-M363 WeakPolarHBondContact CA-O 3.16Å; L321-M363 WeakPolarHBondContact CB-O 3.22Å; L321-M363 PolarHBondContact N-O 3.14Å; A322-M363 HydrophobicContact CB-CE 3.98Å; A322-M363 PolarHBondContact N-O 2.76Å; A322-M363 VanDerWaalsContact N-O 3.12Å; A322-M363 PolarHBondContact O-N 3.11Å; I324-M363 HydrophobicContact CD1-CE 4.25Å; I324-M363 HydrophobicContact CG1-CE 4.05Å; L332-M363 HydrophobicContact CB-CE 4.48Å; M363-A367 HydrophobicContact CB-CB 4.08Å; M363-V369 HydrophobicContact CE-CG2 4.37Å; M363-V369 HydrophobicContact SD-CG2 4.29Å; M363-C372 HydrophobicContact SD-CB 3.92Å
364	N	98.4	Very high	97.9	Very high	6 Å²	6	25.1 Å²	25.1	3%	0.032	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	176.4	170.4	75.7	0.7	0	0	0	111	H287 V313 N319 S366 A367	H287-N364 HydrophobicContact CB-CB 3.91Å; H287-N364 VanDerWaalsContact ND1-CG 3.33Å; H287-N364 PolarHBondContact ND1-N 2.99Å; H287-N364 PolarHBondContact ND1-OD1 3.22Å; V313-N364 HydrophobicContact CG1-CB 3.88Å; N319-N364 CarbonylContact O-C 3.18Å; N319-N364 WeakPolarHBondContact O-CA 3.49Å; N319-N364 VanDerWaalsContact O-CB 3.24Å; N319-N364 WeakPolarHBondContact O-CB 3.48Å; N364-S366 PolarHBondContact O-N 3.48Å; N364-S366 VanDerWaalsContact O-N 3.15Å; N364-S366 PolarHBondContact OD1-N 2.81Å; N364-S366 PolarHBondContact OD1-OG 3.4Å; N364-A367 VanDerWaalsContact O-CB 3.31Å; N364-A367 WeakPolarHBondContact O-CB 3.41Å; N364-A367 PolarHBondContact O-N 3.23Å; N364-A367 VanDerWaalsContact O-N 3.09Å
365	R	98.1	Very high	98	Very high	153 Å²	153	31.5 Å²	31.5	58%	0.577	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-8.9	-176.4	-66.7	172.8	-178.4	-161.8	-2.2	115.5	D318 N319 L321 A367	D318-R365 PolarHBondContact O-NE 2.84Å; D318-R365 PolarHBondContact O-NH2 3.32Å; N319-R365 WeakPolarHBondContact O-CG 3.38Å; N319-R365 PolarHBondContact O-N 2.8Å; L321-R365 HydrophobicContact CB-CG 4.26Å; L321-R365 HydrophobicContact CD1-CG 4.43Å; R365-A367 VanDerWaalsContact C-N 3.29Å
366	S	97.6	Very high	98	Very high	98 Å²	98	32.4 Å²	32.4	69%	0.685	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-6.8	172.2	69.4	0	0	0	0	112.9	N364	N364-S366 PolarHBondContact O-N 3.48Å; N364-S366 VanDerWaalsContact O-N 3.15Å; N364-S366 PolarHBondContact OD1-N 2.81Å; N364-S366 PolarHBondContact OD1-OG 3.4Å
367	A	97.8	Very high	98.2	Very high	14 Å²	14	32 Å²	32	12%	0.116	16%	0.161	C	C	.	.	S	Bend	trans	-76.4	134	175.8	0	0	0	0	0	111.2	M363 N364 R365 V369	M363-A367 HydrophobicContact CB-CB 4.08Å; N364-A367 VanDerWaalsContact O-CB 3.31Å; N364-A367 WeakPolarHBondContact O-CB 3.41Å; N364-A367 PolarHBondContact O-N 3.23Å; N364-A367 VanDerWaalsContact O-N 3.09Å; R365-A367 VanDerWaalsContact C-N 3.29Å; A367-V369 PolarHBondContact O-N 3.04Å; A367-V369 VanDerWaalsContact O-N 3.17Å
368	D	97.9	Very high	98.2	Very high	55 Å²	55	35 Å²	35	29%	0.294	17%	0.173	S	C	.	.			trans	-77.2	93.1	160.3	179.7	-16.5	0	0	0	108.3	V370 N371 C372 R455	D368-V370 VanDerWaalsContact C-N 3.25Å; D368-V370 PolarHBondContact O-N 3.12Å; D368-V370 PolarHBondContact OD1-N 3.03Å; D368-N371 HydrophobicContact CB-CB 3.85Å; D368-N371 PolarHBondContact O-N 3.21Å; D368-N371 VanDerWaalsContact O-N 3.09Å; D368-N371 PolarHBondContact OD1-N 3.26Å; D368-C372 PolarHBondContact O-N 3Å; D368-C372 PolarHBondContact O-SG 3.17Å; D368-R455 IonicContact OD1-CZ 3.76Å; D368-R455 IonicContact OD1-NH1 2.83Å; D368-R455 PolarHBondContact OD1-NH1 2.87Å; D368-R455 IonicContact OD1-NH2 3.41Å; D368-R455 PolarHBondContact OD1-NH2 3.27Å; D368-R455 IonicContact OD2-CZ 3.98Å; D368-R455 IonicContact OD2-NH1 3.03Å; D368-R455 PolarHBondContact OD2-NH1 3.29Å; D368-R455 IonicContact OD2-NH2 2.8Å; D368-R455 PolarHBondContact OD2-NH2 2.87Å
369	V	98	Very high	98.2	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-61.5	-34.2	-175.3	67.8	0	0	0	0	112.1	L321 L332 M363 A367 N371 C372 I373 L444 F448 E451	L321-V369 HydrophobicContact CD2-CB 3.93Å; L321-V369 HydrophobicContact CD2-CG1 4.32Å; L332-V369 HydrophobicContact CD2-CG2 4.21Å; M363-V369 HydrophobicContact CE-CG2 4.37Å; M363-V369 HydrophobicContact SD-CG2 4.29Å; A367-V369 PolarHBondContact O-N 3.04Å; A367-V369 VanDerWaalsContact O-N 3.17Å; V369-N371 VanDerWaalsContact C-N 3.33Å; V369-N371 PolarHBondContact O-N 3.46Å; V369-C372 PolarHBondContact O-N 3.41Å; V369-I373 HydrophobicContact CG2-CG1 4.47Å; V369-I373 WeakPolarHBondContact O-CG1 3.32Å; V369-I373 PolarHBondContact O-N 2.96Å; V369-L444 HydrophobicContact CG1-CD1 4.02Å; V369-L444 HydrophobicContact CG2-CD1 4.02Å; V369-F448 HydrophobicContact CG1-CB 4.49Å; V369-F448 HydrophobicContact CG1-CD1 4.03Å; V369-F448 HydrophobicContact CG1-CG 4.14Å; V369-E451 WeakPolarHBondContact CG1-OE1 3.47Å; V369-E451 WeakPolarHBondContact CG1-OE2 2.91Å
370	V	98.4	Very high	98.2	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-63.6	-42.6	176.1	-175.7	0	0	0	0	110.3	D368 S374 M402 F405 V406 L444 L452	D368-V370 VanDerWaalsContact C-N 3.25Å; D368-V370 PolarHBondContact O-N 3.12Å; D368-V370 PolarHBondContact OD1-N 3.03Å; V370-S374 VanDerWaalsContact O-CB 3.32Å; V370-S374 WeakPolarHBondContact O-CB 3.14Å; V370-S374 PolarHBondContact O-N 3.19Å; V370-M402 HydrophobicContact CG1-CE 4.07Å; V370-F405 HydrophobicContact CG1-CB 4.1Å; V370-V406 HydrophobicContact CG1-CG2 4.05Å; V370-L444 HydrophobicContact CG2-CD1 4.47Å; V370-L452 HydrophobicContact CB-CD2 4.45Å; V370-L452 HydrophobicContact CG1-CD2 3.82Å; V370-L452 HydrophobicContact CG2-CD2 3.71Å; V370-L452 HydrophobicContact CG2-CG 4.48Å
371	N	98.3	Very high	98.2	Very high	78 Å²	78	39.3 Å²	39.3	42%	0.417	19%	0.193	S	C	.	.	H	α-helix	trans	-69.6	-39.1	176.2	-169	27	0	0	0	112.5	D368 V369 I373 S374 R375 V406	D368-N371 HydrophobicContact CB-CB 3.85Å; D368-N371 PolarHBondContact O-N 3.21Å; D368-N371 VanDerWaalsContact O-N 3.09Å; D368-N371 PolarHBondContact OD1-N 3.26Å; V369-N371 VanDerWaalsContact C-N 3.33Å; V369-N371 PolarHBondContact O-N 3.46Å; N371-I373 PolarHBondContact O-N 3.09Å; N371-S374 PolarHBondContact O-N 3.3Å; N371-R375 WeakPolarHBondContact O-CB 3.42Å; N371-R375 PolarHBondContact O-N 3.25Å; N371-V406 HydrophobicContact CB-CG1 4.18Å; N371-V406 HydrophobicContact CB-CG2 4.13Å
372	C	98.2	Very high	98.1	Very high	46 Å²	46	44.9 Å²	44.9	31%	0.311	22%	0.218	S	C	.	.	H	α-helix	trans	-56.9	-50.4	173.3	-68.5	0	0	0	0	111.2	M363 D368 V369 R375 L376	M363-C372 HydrophobicContact SD-CB 3.92Å; D368-C372 PolarHBondContact O-N 3Å; D368-C372 PolarHBondContact O-SG 3.17Å; V369-C372 PolarHBondContact O-N 3.41Å; C372-R375 WeakPolarHBondContact O-CB 3.2Å; C372-R375 PolarHBondContact O-N 3.14Å; C372-L376 PolarHBondContact O-N 2.99Å; C372-L376 VanDerWaalsContact O-N 3.14Å
373	I	98.4	Very high	98	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-67.4	-40.3	178.2	-59.8	-53.9	0	0	0	111.2	I324 L332 V369 N371 R375 L376 I377 M402 P440 L444	I324-I373 HydrophobicContact CD1-CD1 4.14Å; L332-I373 HydrophobicContact CD2-CD1 3.62Å; L332-I373 HydrophobicContact CD2-CG1 3.76Å; V369-I373 HydrophobicContact CG2-CG1 4.47Å; V369-I373 WeakPolarHBondContact O-CG1 3.32Å; V369-I373 PolarHBondContact O-N 2.96Å; N371-I373 PolarHBondContact O-N 3.09Å; I373-R375 PolarHBondContact O-N 3.48Å; I373-L376 HydrophobicContact CD1-CD1 3.93Å; I373-L376 WeakPolarHBondContact O-CB 3.26Å; I373-L376 PolarHBondContact O-N 2.71Å; I373-I377 HydrophobicContact CG2-CG1 4.37Å; I373-I377 WeakPolarHBondContact O-CG1 3.33Å; I373-I377 PolarHBondContact O-N 3.32Å; I373-M402 HydrophobicContact CB-CE 4.34Å; I373-M402 HydrophobicContact CG2-CE 4.16Å; I373-P440 HydrophobicContact CD1-CB 4.31Å; I373-P440 HydrophobicContact CG2-CB 4.12Å; I373-L444 HydrophobicContact CB-CD2 4.08Å; I373-L444 HydrophobicContact CG1-CB 4.21Å; I373-L444 HydrophobicContact CG1-CD1 4.11Å; I373-L444 HydrophobicContact CG1-CD2 4.39Å; I373-L444 HydrophobicContact CG1-CG 4.47Å; I373-L444 HydrophobicContact CG2-CB 4.29Å; I373-L444 HydrophobicContact CG2-CD2 4.1Å
374	S	98.3	Very high	97.9	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.007	23%	0.234	C	C	.	.	H	α-helix	trans	-55.9	-40	173.1	-179.1	0	0	0	0	112.2	V370 N371 I377 K378 V406	V370-S374 VanDerWaalsContact O-CB 3.32Å; V370-S374 WeakPolarHBondContact O-CB 3.14Å; V370-S374 PolarHBondContact O-N 3.19Å; N371-S374 PolarHBondContact O-N 3.3Å; S374-I377 PolarHBondContact O-N 2.97Å; S374-K378 WeakPolarHBondContact O-CG 3.3Å; S374-K378 PolarHBondContact O-N 3.48Å; S374-V406 VanDerWaalsContact CB-CG2 3.46Å
375	R	98.5	Very high	97.8	Very high	150 Å²	150	49.3 Å²	49.3	57%	0.566	25%	0.245	S	C	*	.	H	α-helix	trans	-66.5	-35.2	176.2	-179.2	60.1	-172.2	89.2	-4.7	112.8	N371 C372 I373 F379	N371-R375 WeakPolarHBondContact O-CB 3.42Å; N371-R375 PolarHBondContact O-N 3.25Å; C372-R375 WeakPolarHBondContact O-CB 3.2Å; C372-R375 PolarHBondContact O-N 3.14Å; I373-R375 PolarHBondContact O-N 3.48Å; R375-F379 PolarHBondContact O-N 2.81Å; R375-F379 VanDerWaalsContact O-N 3.12Å
376	L	98.2	Very high	97.7	Very high	21 Å²	21	43 Å²	43	11%	0.11	23%	0.227	C	C	.	.	H	α-helix	trans	-66.1	-41.2	172.1	-66	-178.2	0	0	0	111.6	P128 I324 C372 I373 K378 F379 Y380	P128-L376 HydrophobicContact CB-CD2 4.48Å; I324-L376 HydrophobicContact CD1-CD1 3.58Å; C372-L376 PolarHBondContact O-N 2.99Å; C372-L376 VanDerWaalsContact O-N 3.14Å; I373-L376 HydrophobicContact CD1-CD1 3.93Å; I373-L376 WeakPolarHBondContact O-CB 3.26Å; I373-L376 PolarHBondContact O-N 2.71Å; L376-K378 VanDerWaalsContact C-N 3.32Å; L376-K378 PolarHBondContact O-N 3.29Å; L376-F379 WeakPolarHBondContact O-CA 3.14Å; L376-F379 VanDerWaalsContact O-CB 3.27Å; L376-F379 WeakPolarHBondContact O-CB 3.44Å; L376-F379 PolarHBondContact O-N 2.89Å; L376-Y380 VanDerWaalsContact O-CD2 3.22Å; L376-Y380 WeakPolarHBondContact O-CD2 3.35Å; L376-Y380 PolarHBondContact O-N 2.89Å
377	I	98	Very high	97.6	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-66.8	-37	178.6	-56.4	-39.1	0	0	0	111.3	I373 S374 F379 Y380 E381 L398 M402 A437 P440 V441	I373-I377 HydrophobicContact CG2-CG1 4.37Å; I373-I377 WeakPolarHBondContact O-CG1 3.33Å; I373-I377 PolarHBondContact O-N 3.32Å; S374-I377 PolarHBondContact O-N 2.97Å; I377-F379 VanDerWaalsContact C-N 3.29Å; I377-F379 PolarHBondContact O-N 3.14Å; I377-Y380 HydrophobicContact CD1-CD2 4.5Å; I377-Y380 PolarHBondContact O-N 3.43Å; I377-E381 PolarHBondContact O-N 3.04Å; I377-L398 HydrophobicContact CG2-CB 3.61Å; I377-M402 HydrophobicContact CG1-CG 4.12Å; I377-A437 WeakPolarHBondContact CD1-O 3.46Å; I377-P440 HydrophobicContact CD1-CB 4.33Å; I377-V441 HydrophobicContact CD1-CG2 3.49Å; I377-V441 VanDerWaalsContact CD1-CG2 3.49Å; I377-V441 HydrophobicContact CG1-CG2 3.58Å
378	K	98	Very high	97.5	Very high	74 Å²	74	42.2 Å²	42.2	32%	0.322	21%	0.212	S	C	.	.	H	α-helix	trans	-59.4	-39.6	169.4	-73.6	178.1	179.7	178.8	0	112.2	S374 L376 E381 H382 S399 T403	S374-K378 WeakPolarHBondContact O-CG 3.3Å; S374-K378 PolarHBondContact O-N 3.48Å; L376-K378 VanDerWaalsContact C-N 3.32Å; L376-K378 PolarHBondContact O-N 3.29Å; K378-E381 PolarHBondContact O-N 3.04Å; K378-H382 PolarHBondContact O-CD2 3.23Å; K378-H382 PolarHBondContact O-N 3.27Å; K378-S399 WeakPolarHBondContact CG-OG 3.45Å; K378-T403 WeakPolarHBondContact CE-OG1 3.38Å
379	F	98.2	Very high	97.5	Very high	29 Å²	29	43.4 Å²	43.4	13%	0.127	22%	0.222	C	C	.	.	H	α-helix	trans	-59.8	-48.6	173.2	164.5	-92	0	0	0	111.2	P128 Y210 R375 L376 I377 E381 H382 E383	P128-F379 VanDerWaalsContact CD-CZ 3.43Å; P128-F379 HydrophobicContact CG-CD1 3.84Å; P128-F379 HydrophobicContact CG-CD2 4.11Å; P128-F379 HydrophobicContact CG-CE1 3.6Å; P128-F379 HydrophobicContact CG-CE2 3.86Å; P128-F379 HydrophobicContact CG-CG 4.09Å; P128-F379 HydrophobicContact CG-CZ 3.61Å; Y210-F379 HydrophobicContact CD1-CE1 4.12Å; Y210-F379 HydrophobicContact CD1-CZ 4.08Å; Y210-F379 HydrophobicContact CD2-CZ 4.06Å; Y210-F379 HydrophobicContact CE1-CE1 4.4Å; Y210-F379 HydrophobicContact CG-CE1 4.18Å; Y210-F379 AromaticContact CG-CZ 3.71Å; Y210-F379 HydrophobicContact CG-CZ 3.71Å; R375-F379 PolarHBondContact O-N 2.81Å; R375-F379 VanDerWaalsContact O-N 3.12Å; L376-F379 WeakPolarHBondContact O-CA 3.14Å; L376-F379 VanDerWaalsContact O-CB 3.27Å; L376-F379 WeakPolarHBondContact O-CB 3.44Å; L376-F379 PolarHBondContact O-N 2.89Å; I377-F379 VanDerWaalsContact C-N 3.29Å; I377-F379 PolarHBondContact O-N 3.14Å; F379-E381 VanDerWaalsContact C-N 3.32Å; F379-E381 PolarHBondContact O-N 3.34Å; F379-H382 PolarHBondContact O-N 2.94Å; F379-H382 VanDerWaalsContact O-N 3.15Å; F379-E383 HydrophobicContact CD2-CG 3.76Å; F379-E383 HydrophobicContact CE1-CG 4.35Å; F379-E383 HydrophobicContact CE2-CB 4.48Å; F379-E383 HydrophobicContact CE2-CG 3.46Å; F379-E383 VanDerWaalsContact CE2-CG 3.46Å; F379-E383 HydrophobicContact CG-CG 4.34Å; F379-E383 HydrophobicContact CZ-CB 4.35Å; F379-E383 HydrophobicContact CZ-CG 3.78Å; F379-E383 WeakPolarHBondContact O-CB 2.93Å; F379-E383 WeakPolarHBondContact O-CG 3.18Å; F379-E383 PolarHBondContact O-N 3.28Å
380	Y	98	Very high	97.4	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-65.2	-32.4	178	-75.1	-67.6	0	0	0	113.9	Y210 S328 S329 L376 I377 S384 L433 G436 A437 P440	Y210-Y380 HydrophobicContact CE1-CD1 4.34Å; Y210-Y380 AromaticContact CE1-CE1 3.89Å; Y210-Y380 HydrophobicContact CE1-CE1 3.89Å; S328-Y380 VanDerWaalsContact C-OH 3.27Å; S328-Y380 PolarHBondContact OG-OH 2.98Å; S329-Y380 WeakPolarHBondContact CA-OH 3.38Å; S329-Y380 WeakPolarHBondContact CB-OH 3.44Å; S329-Y380 PolarHBondContact N-OH 3.26Å; L376-Y380 VanDerWaalsContact O-CD2 3.22Å; L376-Y380 WeakPolarHBondContact O-CD2 3.35Å; L376-Y380 PolarHBondContact O-N 2.89Å; I377-Y380 HydrophobicContact CD1-CD2 4.5Å; I377-Y380 PolarHBondContact O-N 3.43Å; Y380-S384 VanDerWaalsContact O-CB 3.27Å; Y380-S384 WeakPolarHBondContact O-CB 3.49Å; Y380-S384 PolarHBondContact O-N 3.45Å; Y380-L433 HydrophobicContact CD1-CD2 4.08Å; Y380-L433 HydrophobicContact CD1-CG 4.11Å; Y380-G436 WeakPolarHBondContact CE2-O 3.49Å; Y380-G436 VanDerWaalsContact CZ-O 3.27Å; Y380-A437 HydrophobicContact CD1-CB 4.1Å; Y380-A437 HydrophobicContact CD2-CB 4.11Å; Y380-A437 HydrophobicContact CG-CB 3.67Å; Y380-P440 HydrophobicContact CE2-CG 4.43Å
381	E	97.3	Very high	97.3	Very high	62 Å²	62	46 Å²	46	29%	0.29	24%	0.238	S	C	.	.	H	α-helix	trans	-62.5	-47.7	170.4	-179.2	-176	-170.5	0	0	111.2	I377 K378 F379 C395 R396 S399	I377-E381 PolarHBondContact O-N 3.04Å; K378-E381 PolarHBondContact O-N 3.04Å; F379-E381 VanDerWaalsContact C-N 3.32Å; F379-E381 PolarHBondContact O-N 3.34Å; E381-C395 HydrophobicContact CB-CB 4.39Å; E381-R396 HydrophobicContact CG-CB 4.37Å; E381-R396 WeakPolarHBondContact OE1-CG 3.14Å; E381-S399 WeakPolarHBondContact OE2-CB 3.28Å; E381-S399 PolarHBondContact OE2-OG 2.98Å
382	H	97.4	Very high	97.2	Very high	146 Å²	146	46.6 Å²	46.6	68%	0.676	24%	0.235	S	C	*	.	H	α-helix	trans	-66.7	-39.7	179.9	-79.1	-64.2	0	0	0	113.1	K378 F379	K378-H382 PolarHBondContact O-CD2 3.23Å; K378-H382 PolarHBondContact O-N 3.27Å; F379-H382 PolarHBondContact O-N 2.94Å; F379-H382 VanDerWaalsContact O-N 3.15Å
383	E	97.1	Very high	97.2	Very high	49 Å²	49	48.6 Å²	48.6	23%	0.229	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	7.9	-173.9	-64.5	-59.4	146.9	0	0	113.7	A209 Y210 I211 F379 L433	A209-E383 WeakPolarHBondContact CA-OE2 3.37Å; Y210-E383 HydrophobicContact CD1-CB 3.92Å; Y210-E383 HydrophobicContact CG-CB 4.34Å; Y210-E383 PolarHBondContact N-OE2 3.02Å; I211-E383 WeakPolarHBondContact CB-O 3.48Å; F379-E383 HydrophobicContact CD2-CG 3.76Å; F379-E383 HydrophobicContact CE1-CG 4.35Å; F379-E383 HydrophobicContact CE2-CB 4.48Å; F379-E383 HydrophobicContact CE2-CG 3.46Å; F379-E383 VanDerWaalsContact CE2-CG 3.46Å; F379-E383 HydrophobicContact CG-CG 4.34Å; F379-E383 HydrophobicContact CZ-CB 4.35Å; F379-E383 HydrophobicContact CZ-CG 3.78Å; F379-E383 WeakPolarHBondContact O-CB 2.93Å; F379-E383 WeakPolarHBondContact O-CG 3.18Å; F379-E383 PolarHBondContact O-N 3.28Å; E383-L433 WeakPolarHBondContact O-CD1 3.41Å
384	S	96.4	Very high	97.1	Very high	21 Å²	21	48.9 Å²	48.9	15%	0.147	24%	0.243	C	C	.	.			trans	-81.2	124.7	172.4	173.7	0	0	0	0	110.6	Y380 G386 C391	Y380-S384 VanDerWaalsContact O-CB 3.27Å; Y380-S384 WeakPolarHBondContact O-CB 3.49Å; Y380-S384 PolarHBondContact O-N 3.45Å; S384-G386 PolarHBondContact O-N 3.01Å; S384-C391 PolarHBondContact OG-SG 3.4Å
385	C	96.1	Very high	97	Very high	39 Å²	39	48.9 Å²	48.9	26%	0.264	24%	0.243	S	C	.	.			trans	-67.6	-7	177.9	67.7	0	0	0	0	114.8	I211 K228 Q387	I211-C385 HydrophobicContact CB-CB 4.47Å; I211-C385 HydrophobicContact CG1-CB 3.92Å; I211-C385 HydrophobicContact CG2-CB 4.01Å; K228-C385 WeakPolarHBondContact CE-O 3.27Å; K228-C385 HydrophobicContact CG-CB 3.93Å; C385-Q387 VanDerWaalsContact C-N 3.28Å; C385-Q387 PolarHBondContact O-N 2.89Å
386	G	95.1	Very high	96.9	Very high	21 Å²	21	48.1 Å²	48.1	22%	0.216	24%	0.24	C	C	.	.			trans	72.2	9	177.2	0	0	0	0	0	116.1	S384 R392	S384-G386 PolarHBondContact O-N 3.01Å; G386-R392 WeakPolarHBondContact O-CD 3.43Å; G386-R392 PolarHBondContact O-NH1 2.98Å
387	Q	96.7	Very high	96.9	Very high	75 Å²	75	52.5 Å²	52.5	35%	0.35	26%	0.255	S	S	.	.			trans	-67.3	-56.4	-176	-173.9	-175.8	5.6	0	0	113.1	K228 P229 C385 I430	K228-Q387 HydrophobicContact CD-CB 4.33Å; K228-Q387 HydrophobicContact CG-CB 4.28Å; P229-Q387 PolarHBondContact O-NE2 2.85Å; P229-Q387 PolarHBondContact O-OE1 3.42Å; C385-Q387 VanDerWaalsContact C-N 3.28Å; C385-Q387 PolarHBondContact O-N 2.89Å; Q387-I430 HydrophobicContact CG-CD1 3.8Å
388	C	96.3	Very high	96.9	Very high	20 Å²	20	52.5 Å²	52.5	14%	0.135	26%	0.255	C	S	.	.	S	Bend	trans	-93.3	132.4	-178.4	61.4	0	0	0	0	111.7	C391 R392 I430	C388-C391 PolarHBondContact O-N 3.12Å; C388-C391 WeakPolarHBondContact SG-CB 3.41Å; C388-R392 WeakPolarHBondContact O-CB 3.36Å; C388-R392 PolarHBondContact O-N 2.87Å; C388-I430 HydrophobicContact CB-CD1 3.8Å; C388-I430 HydrophobicContact CB-CG1 3.84Å
389	T	96.4	Very high	96.8	Very high	80 Å²	80	49.3 Å²	49.3	49%	0.491	24%	0.242	S	C	.	.	H	α-helix	trans	-54.9	-45.1	-175.4	-57.6	0	0	0	0	113.9	C391 R392 E393	T389-C391 VanDerWaalsContact C-N 3.27Å; T389-C391 PolarHBondContact O-N 3Å; T389-R392 PolarHBondContact O-N 3.2Å; T389-R392 PolarHBondContact OG1-NH2 3.42Å; T389-E393 HydrophobicContact CG2-CG 3.93Å; T389-E393 PolarHBondContact O-N 3.02Å
390	P	95.8	Very high	96.8	Very high	47 Å²	47	52.7 Å²	52.7	31%	0.305	26%	0.258	S	S	.	.	H	α-helix	trans	-62.8	-34.5	-178	-22.1	34.5	0	0	0	112.7	G394 T429	P390-G394 WeakPolarHBondContact O-CA 3.22Å; P390-G394 PolarHBondContact O-N 3Å; P390-T429 HydrophobicContact CB-CG2 3.8Å; P390-T429 HydrophobicContact CG-CG2 4.42Å
391	C	96.4	Very high	96.8	Very high	6 Å²	6	52.7 Å²	52.7	4%	0.041	26%	0.258	C	S	.	.	H	α-helix	trans	-75.5	-48.2	174.6	-168.7	0	0	0	0	111.9	S384 C388 T389 C395 T429 L433 A434	S384-C391 PolarHBondContact OG-SG 3.4Å; C388-C391 PolarHBondContact O-N 3.12Å; C388-C391 WeakPolarHBondContact SG-CB 3.41Å; T389-C391 VanDerWaalsContact C-N 3.27Å; T389-C391 PolarHBondContact O-N 3Å; C391-C395 VanDerWaalsContact O-CB 3.3Å; C391-C395 WeakPolarHBondContact O-CB 3.48Å; C391-C395 PolarHBondContact O-N 3.25Å; C391-C395 PolarHBondContact O-SG 3.26Å; C391-T429 HydrophobicContact CB-CG2 3.9Å; C391-L433 WeakPolarHBondContact SG-CD2 3.47Å; C391-A434 HydrophobicContact CB-CB 3.98Å
392	R	96.8	Very high	96.8	Very high	91 Å²	91	49.8 Å²	49.8	34%	0.343	25%	0.245	S	C	.	.	H	α-helix	trans	-58.6	-52.8	-176.1	-177.9	-177.4	58.6	-108	-3.3	111.8	G386 C388 T389	G386-R392 WeakPolarHBondContact O-CD 3.43Å; G386-R392 PolarHBondContact O-NH1 2.98Å; C388-R392 WeakPolarHBondContact O-CB 3.36Å; C388-R392 PolarHBondContact O-N 2.87Å; T389-R392 PolarHBondContact O-N 3.2Å; T389-R392 PolarHBondContact OG1-NH2 3.42Å
393	E	97.1	Very high	96.8	Very high	89 Å²	89	45 Å²	45	42%	0.416	23%	0.225	S	C	.	.	H	α-helix	trans	-82.3	-38.3	-178.2	-53.5	-54.4	151	0	0	111	T389 R396 W397	T389-E393 HydrophobicContact CG2-CG 3.93Å; T389-E393 PolarHBondContact O-N 3.02Å; E393-R396 PolarHBondContact O-N 2.92Å; E393-W397 WeakPolarHBondContact O-CB 3.49Å; E393-W397 PolarHBondContact O-N 3.13Å
394	G	96.5	Very high	96.8	Very high	6 Å²	6	46.2 Å²	46.2	6%	0.062	23%	0.228	C	C	.	.	H	α-helix	trans	-63.8	-46.1	-177.8	0	0	0	0	0	112.9	P390 R396 W397 L398 M425	P390-G394 WeakPolarHBondContact O-CA 3.22Å; P390-G394 PolarHBondContact O-N 3Å; G394-R396 VanDerWaalsContact C-N 3.32Å; G394-R396 PolarHBondContact O-N 3.18Å; G394-W397 PolarHBondContact O-N 3.07Å; G394-W397 VanDerWaalsContact O-N 3.17Å; G394-L398 WeakPolarHBondContact O-CB 3.46Å; G394-L398 WeakPolarHBondContact O-CG 3.27Å; G394-L398 PolarHBondContact O-N 3.02Å; G394-M425 VanDerWaalsContact C-SD 3.57Å
395	C	97	Very high	96.9	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.007	22%	0.221	C	C	.	.	H	α-helix	trans	-61.3	-42.5	178.3	-64.8	0	0	0	0	111.6	E381 C391 L398 S399 M425	E381-C395 HydrophobicContact CB-CB 4.39Å; C391-C395 VanDerWaalsContact O-CB 3.3Å; C391-C395 WeakPolarHBondContact O-CB 3.48Å; C391-C395 PolarHBondContact O-N 3.25Å; C391-C395 PolarHBondContact O-SG 3.26Å; C395-L398 PolarHBondContact O-N 3.09Å; C395-S399 WeakPolarHBondContact O-CB 3.4Å; C395-S399 PolarHBondContact O-N 3.1Å; C395-M425 VanDerWaalsContact SG-CE 3.59Å
396	R	97.2	Very high	97	Very high	134 Å²	134	44.9 Å²	44.9	51%	0.506	22%	0.218	S	C	.	.	H	α-helix	trans	-61.2	-44.3	174.8	179.4	173.5	-174.5	-175.7	2.4	111.7	E381 E393 G394 S399 Q400	E381-R396 HydrophobicContact CG-CB 4.37Å; E381-R396 WeakPolarHBondContact OE1-CG 3.14Å; E393-R396 PolarHBondContact O-N 2.92Å; G394-R396 VanDerWaalsContact C-N 3.32Å; G394-R396 PolarHBondContact O-N 3.18Å; R396-S399 WeakPolarHBondContact O-CB 3.34Å; R396-S399 PolarHBondContact O-N 3.48Å; R396-Q400 WeakPolarHBondContact O-CG 3.47Å; R396-Q400 PolarHBondContact O-N 2.94Å
397	W	97.1	Very high	97	Very high	113 Å²	113	50.8 Å²	50.8	43%	0.428	24%	0.237	S	C	.	.	H	α-helix	trans	-66.7	-45	179.6	-167.1	11.5	0	0	0	112	E393 G394 S399 Q400 I401 M417 I421	E393-W397 WeakPolarHBondContact O-CB 3.49Å; E393-W397 PolarHBondContact O-N 3.13Å; G394-W397 PolarHBondContact O-N 3.07Å; G394-W397 VanDerWaalsContact O-N 3.17Å; W397-S399 VanDerWaalsContact C-N 3.3Å; W397-S399 PolarHBondContact O-N 3.42Å; W397-Q400 PolarHBondContact O-N 3.48Å; W397-I401 HydrophobicContact CG-CD1 4.22Å; W397-I401 WeakPolarHBondContact O-CG1 3.28Å; W397-I401 PolarHBondContact O-N 3.25Å; W397-M417 HydrophobicContact CZ2-SD 4.48Å; W397-I421 HydrophobicContact CD2-CD1 3.65Å; W397-I421 HydrophobicContact CD2-CG1 4.39Å; W397-I421 HydrophobicContact CE3-CD1 3.7Å; W397-I421 HydrophobicContact CE3-CG1 3.93Å; W397-I421 HydrophobicContact CE3-CG2 3.98Å; W397-I421 HydrophobicContact CG-CD1 4.43Å; W397-I421 HydrophobicContact CH2-CD1 3.55Å; W397-I421 HydrophobicContact CH2-CG1 3.85Å; W397-I421 HydrophobicContact CZ2-CD1 3.49Å; W397-I421 VanDerWaalsContact CZ2-CD1 3.49Å; W397-I421 HydrophobicContact CZ2-CG1 4.31Å; W397-I421 HydrophobicContact CZ3-CD1 3.66Å; W397-I421 HydrophobicContact CZ3-CG1 3.64Å; W397-I421 HydrophobicContact CZ3-CG2 4.41Å
398	L	97.2	Very high	97	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-55.9	-45.3	172.7	-68.9	-176.2	0	0	0	110.9	I377 G394 C395 Q400 I401 M402 I418 I421 M425 V441	I377-L398 HydrophobicContact CG2-CB 3.61Å; G394-L398 WeakPolarHBondContact O-CB 3.46Å; G394-L398 WeakPolarHBondContact O-CG 3.27Å; G394-L398 PolarHBondContact O-N 3.02Å; C395-L398 PolarHBondContact O-N 3.09Å; L398-Q400 PolarHBondContact O-N 2.77Å; L398-I401 PolarHBondContact O-N 3.32Å; L398-M402 VanDerWaalsContact O-CB 3.27Å; L398-M402 WeakPolarHBondContact O-CB 3.15Å; L398-M402 VanDerWaalsContact O-CG 3.26Å; L398-M402 WeakPolarHBondContact O-CG 3.5Å; L398-M402 PolarHBondContact O-N 3.48Å; L398-I418 HydrophobicContact CD2-CD1 3.92Å; L398-I418 HydrophobicContact CD2-CG1 3.41Å; L398-I418 VanDerWaalsContact CD2-CG1 3.41Å; L398-I421 HydrophobicContact CD2-CB 4.33Å; L398-I421 HydrophobicContact CD2-CG2 3.83Å; L398-I421 HydrophobicContact CG-CG2 4.36Å; L398-M425 HydrophobicContact CD1-CE 3.92Å; L398-M425 HydrophobicContact CD1-SD 3.48Å; L398-M425 WeakPolarHBondContact CD1-SD 3.45Å; L398-M425 HydrophobicContact CG-SD 3.86Å; L398-V441 HydrophobicContact CD1-CG2 4.34Å
399	S	97.6	Very high	96.9	Very high	6 Å²	6	49.9 Å²	49.9	4%	0.042	23%	0.233	C	C	.	.	H	α-helix	trans	-61	-42.3	179.2	178.6	0	0	0	0	112.7	K378 E381 C395 R396 W397 T403	K378-S399 WeakPolarHBondContact CG-OG 3.45Å; E381-S399 WeakPolarHBondContact OE2-CB 3.28Å; E381-S399 PolarHBondContact OE2-OG 2.98Å; C395-S399 WeakPolarHBondContact O-CB 3.4Å; C395-S399 PolarHBondContact O-N 3.1Å; R396-S399 WeakPolarHBondContact O-CB 3.34Å; R396-S399 PolarHBondContact O-N 3.48Å; W397-S399 VanDerWaalsContact C-N 3.3Å; W397-S399 PolarHBondContact O-N 3.42Å; S399-T403 WeakPolarHBondContact O-CB 3.18Å; S399-T403 PolarHBondContact O-N 3.44Å; S399-T403 PolarHBondContact O-OG1 2.74Å
400	Q	97.2	Very high	96.8	Very high	100 Å²	100	46.6 Å²	46.6	47%	0.467	22%	0.215	S	C	.	.	H	α-helix	trans	-64.5	-46.3	176	-72.2	174.3	-8.7	0	0	112.3	R396 W397 L398 T403 R404	R396-Q400 WeakPolarHBondContact O-CG 3.47Å; R396-Q400 PolarHBondContact O-N 2.94Å; W397-Q400 PolarHBondContact O-N 3.48Å; L398-Q400 PolarHBondContact O-N 2.77Å; Q400-T403 PolarHBondContact O-N 3Å; Q400-R404 PolarHBondContact O-N 3.4Å
401	I	97.5	Very high	96.6	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.005	23%	0.229	C	C	.	.	H	α-helix	trans	-64	-48.5	177.5	-60.8	164.4	0	0	0	109.9	W397 L398 T403 R404 F405 M417 I418 I421	W397-I401 HydrophobicContact CG-CD1 4.22Å; W397-I401 WeakPolarHBondContact O-CG1 3.28Å; W397-I401 PolarHBondContact O-N 3.25Å; L398-I401 PolarHBondContact O-N 3.32Å; I401-T403 VanDerWaalsContact C-N 3.28Å; I401-T403 PolarHBondContact O-N 3.13Å; I401-R404 CarbonylContact O-C 3.59Å; I401-R404 WeakPolarHBondContact O-CA 3.46Å; I401-R404 WeakPolarHBondContact O-CB 3.48Å; I401-R404 PolarHBondContact O-N 3.04Å; I401-F405 HydrophobicContact CG2-CD1 3.77Å; I401-F405 HydrophobicContact CG2-CE1 3.34Å; I401-F405 HydrophobicContact CG2-CE2 4.17Å; I401-F405 HydrophobicContact CG2-CG 4.35Å; I401-F405 HydrophobicContact CG2-CZ 3.58Å; I401-F405 WeakPolarHBondContact O-CD1 3.27Å; I401-F405 PolarHBondContact O-N 3.2Å; I401-M417 HydrophobicContact CD1-CE 3.95Å; I401-M417 HydrophobicContact CG1-CE 4.46Å; I401-I418 HydrophobicContact CB-CD1 4.01Å; I401-I418 HydrophobicContact CD1-CB 4.35Å; I401-I418 HydrophobicContact CD1-CG1 4.19Å; I401-I418 HydrophobicContact CG2-CB 4.24Å; I401-I418 HydrophobicContact CG2-CD1 3.76Å; I401-I418 HydrophobicContact CG2-CG1 4.29Å; I401-I421 HydrophobicContact CD1-CD1 3.57Å
402	M	98	Very high	96.5	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-59.8	-38.4	179	-75.8	-55.8	-56.1	0	0	112.2	V370 I373 I377 L398 R404 F405 V406 I418 V441 L444	V370-M402 HydrophobicContact CG1-CE 4.07Å; I373-M402 HydrophobicContact CB-CE 4.34Å; I373-M402 HydrophobicContact CG2-CE 4.16Å; I377-M402 HydrophobicContact CG1-CG 4.12Å; L398-M402 VanDerWaalsContact O-CB 3.27Å; L398-M402 WeakPolarHBondContact O-CB 3.15Å; L398-M402 VanDerWaalsContact O-CG 3.26Å; L398-M402 WeakPolarHBondContact O-CG 3.5Å; L398-M402 PolarHBondContact O-N 3.48Å; M402-R404 VanDerWaalsContact C-N 3.26Å; M402-R404 PolarHBondContact O-N 2.93Å; M402-F405 WeakPolarHBondContact O-CB 3.47Å; M402-F405 PolarHBondContact O-N 3.43Å; M402-F405 HydrophobicContact SD-CD2 4Å; M402-V406 WeakPolarHBondContact O-CG2 3.5Å; M402-V406 PolarHBondContact O-N 3.35Å; M402-I418 HydrophobicContact CG-CD1 3.96Å; M402-I418 HydrophobicContact SD-CD1 3.8Å; M402-V441 HydrophobicContact CG-CG2 4.44Å; M402-V441 HydrophobicContact SD-CG1 4.47Å; M402-L444 HydrophobicContact CE-CD2 3.52Å; M402-L444 HydrophobicContact SD-CD2 4.27Å
403	T	97.5	Very high	96.4	Very high	44 Å²	44	56.4 Å²	56.4	27%	0.27	27%	0.266	S	S	.	.	H	α-helix	trans	-62	-34.8	175	-63.2	0	0	0	0	112	K378 S399 Q400 I401	K378-T403 WeakPolarHBondContact CE-OG1 3.38Å; S399-T403 WeakPolarHBondContact O-CB 3.18Å; S399-T403 PolarHBondContact O-N 3.44Å; S399-T403 PolarHBondContact O-OG1 2.74Å; Q400-T403 PolarHBondContact O-N 3Å; I401-T403 VanDerWaalsContact C-N 3.28Å; I401-T403 PolarHBondContact O-N 3.13Å
404	R	97.5	Very high	96.4	Very high	75 Å²	75	53.6 Å²	53.6	28%	0.283	25%	0.253	S	S	.	.	H	α-helix	trans	-73.9	-39.4	173	-69.2	-174.4	-60.5	103.3	-2.5	112.1	Q400 I401 M402 V406 K407 G408 N409 E414	Q400-R404 PolarHBondContact O-N 3.4Å; I401-R404 CarbonylContact O-C 3.59Å; I401-R404 WeakPolarHBondContact O-CA 3.46Å; I401-R404 WeakPolarHBondContact O-CB 3.48Å; I401-R404 PolarHBondContact O-N 3.04Å; M402-R404 VanDerWaalsContact C-N 3.26Å; M402-R404 PolarHBondContact O-N 2.93Å; R404-V406 VanDerWaalsContact C-N 3.27Å; R404-V406 PolarHBondContact O-N 3.23Å; R404-K407 CarbonylContact O-C 3.59Å; R404-K407 PolarHBondContact O-N 2.87Å; R404-G408 PolarHBondContact O-N 2.82Å; R404-N409 WeakPolarHBondContact CB-O 3.32Å; R404-N409 PolarHBondContact NH1-O 3.35Å; R404-N409 VanDerWaalsContact NH1-O 3.17Å; R404-N409 PolarHBondContact O-N 2.94Å; R404-N409 VanDerWaalsContact O-N 3.1Å; R404-E414 IonicContact CZ-OE2 3.09Å; R404-E414 IonicContact NH1-OE1 3.35Å; R404-E414 PolarHBondContact NH1-OE1 3.2Å; R404-E414 IonicContact NH1-OE2 2.68Å; R404-E414 PolarHBondContact NH1-OE2 2.92Å; R404-E414 IonicContact NH2-OE2 2.64Å; R404-E414 PolarHBondContact NH2-OE2 3.3Å
405	F	97.9	Very high	96.4	Very high	1 Å²	1	53.3 Å²	53.3	0%	0.004	25%	0.25	C	C	.	.	H	α-helix	trans	-59.6	-39.8	176	-76.2	14.7	0	0	0	111.5	V370 I401 M402 K407 G408 A410 E414 I415 I418 L452 R455 F456	V370-F405 HydrophobicContact CG1-CB 4.1Å; I401-F405 HydrophobicContact CG2-CD1 3.77Å; I401-F405 HydrophobicContact CG2-CE1 3.34Å; I401-F405 HydrophobicContact CG2-CE2 4.17Å; I401-F405 HydrophobicContact CG2-CG 4.35Å; I401-F405 HydrophobicContact CG2-CZ 3.58Å; I401-F405 WeakPolarHBondContact O-CD1 3.27Å; I401-F405 PolarHBondContact O-N 3.2Å; M402-F405 WeakPolarHBondContact O-CB 3.47Å; M402-F405 PolarHBondContact O-N 3.43Å; M402-F405 HydrophobicContact SD-CD2 4Å; F405-K407 VanDerWaalsContact C-N 3.27Å; F405-K407 PolarHBondContact O-N 2.87Å; F405-G408 PolarHBondContact O-N 3.09Å; F405-A410 HydrophobicContact CD1-CB 3.53Å; F405-A410 HydrophobicContact CE1-CB 3.49Å; F405-A410 VanDerWaalsContact CE1-CB 3.49Å; F405-E414 HydrophobicContact CE1-CB 3.91Å; F405-E414 HydrophobicContact CZ-CB 4.03Å; F405-I415 HydrophobicContact CE2-CG1 4.41Å; F405-I415 HydrophobicContact CZ-CG1 4.33Å; F405-I418 HydrophobicContact CE2-CD1 4.37Å; F405-I418 HydrophobicContact CE2-CG2 3.76Å; F405-I418 HydrophobicContact CZ-CG2 3.98Å; F405-L452 HydrophobicContact CB-CD2 4.28Å; F405-L452 HydrophobicContact CD2-CD1 4.48Å; F405-L452 HydrophobicContact CD2-CD2 3.83Å; F405-L452 HydrophobicContact CG-CD2 4.41Å; F405-R455 WeakPolarHBondContact O-CD 3.31Å; F405-F456 HydrophobicContact CB-CE1 4.08Å; F405-F456 HydrophobicContact CB-CZ 4.2Å; F405-F456 AromaticContact CD1-CE1 3.95Å; F405-F456 HydrophobicContact CD1-CE1 3.95Å; F405-F456 HydrophobicContact CD1-CE2 4.35Å; F405-F456 AromaticContact CD1-CZ 3.44Å; F405-F456 HydrophobicContact CD1-CZ 3.44Å; F405-F456 VanDerWaalsContact CD1-CZ 3.44Å; F405-F456 AromaticContact CD2-CZ 3.88Å; F405-F456 HydrophobicContact CD2-CZ 3.88Å; F405-F456 HydrophobicContact CE1-CE2 4.11Å; F405-F456 AromaticContact CE1-CZ 3.6Å; F405-F456 HydrophobicContact CE1-CZ 3.6Å; F405-F456 HydrophobicContact CE2-CZ 4.01Å; F405-F456 AromaticContact CG-CE1 3.96Å; F405-F456 HydrophobicContact CG-CE1 3.96Å; F405-F456 AromaticContact CG-CZ 3.58Å; F405-F456 HydrophobicContact CG-CZ 3.58Å; F405-F456 HydrophobicContact CZ-CE2 4.28Å; F405-F456 AromaticContact CZ-CZ 3.88Å; F405-F456 HydrophobicContact CZ-CZ 3.88Å
406	V	97.6	Very high	96.4	Very high	32 Å²	32	56.3 Å²	56.3	19%	0.194	27%	0.266	C	S	.	.	H	α-helix	trans	-56.5	-41.4	173.7	171.3	0	0	0	0	111.8	V370 N371 S374 M402 R404 G408 R455	V370-V406 HydrophobicContact CG1-CG2 4.05Å; N371-V406 HydrophobicContact CB-CG1 4.18Å; N371-V406 HydrophobicContact CB-CG2 4.13Å; S374-V406 VanDerWaalsContact CB-CG2 3.46Å; M402-V406 WeakPolarHBondContact O-CG2 3.5Å; M402-V406 PolarHBondContact O-N 3.35Å; R404-V406 VanDerWaalsContact C-N 3.27Å; R404-V406 PolarHBondContact O-N 3.23Å; V406-G408 VanDerWaalsContact C-N 3.33Å; V406-R455 PolarHBondContact O-NH1 3.35Å
407	K	95.8	Very high	96.4	Very high	144 Å²	144	53 Å²	53	63%	0.626	26%	0.256	S	S	*	.	H	α-helix	trans	-76.3	-19	177.2	-64.2	-177.2	179.6	-175.2	0	113.6	R404 F405 N409 Y459	R404-K407 CarbonylContact O-C 3.59Å; R404-K407 PolarHBondContact O-N 2.87Å; F405-K407 VanDerWaalsContact C-N 3.27Å; F405-K407 PolarHBondContact O-N 2.87Å; K407-N409 VanDerWaalsContact C-N 3.32Å; K407-N409 HydrophobicContact CB-CB 4.42Å; K407-Y459 VanDerWaalsContact O-CD2 3.25Å; K407-Y459 WeakPolarHBondContact O-CD2 3.32Å
408	G	96.1	Very high	96.4	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.2	4.2	-169	0	0	0	0	0	114.9	R404 F405 V406 A410 Y459	R404-G408 PolarHBondContact O-N 2.82Å; F405-G408 PolarHBondContact O-N 3.09Å; V406-G408 VanDerWaalsContact C-N 3.33Å; G408-A410 VanDerWaalsContact C-N 3.29Å; G408-A410 PolarHBondContact O-N 3.45Å; G408-Y459 WeakPolarHBondContact O-CB 3.28Å; G408-Y459 WeakPolarHBondContact O-CD1 3.5Å
409	N	95.3	Very high	96.4	Very high	76 Å²	76	51.6 Å²	51.6	41%	0.406	25%	0.251	S	S	.	.			trans	-83.8	67.2	-178.5	-171.9	7.4	0	0	0	111.9	R404 K407 Y459	R404-N409 WeakPolarHBondContact CB-O 3.32Å; R404-N409 PolarHBondContact NH1-O 3.35Å; R404-N409 VanDerWaalsContact NH1-O 3.17Å; R404-N409 PolarHBondContact O-N 2.94Å; R404-N409 VanDerWaalsContact O-N 3.1Å; K407-N409 VanDerWaalsContact C-N 3.32Å; K407-N409 HydrophobicContact CB-CB 4.42Å; N409-Y459 HydrophobicContact CB-CD1 4.12Å; N409-Y459 HydrophobicContact CB-CE1 3.49Å; N409-Y459 VanDerWaalsContact CB-CE1 3.49Å; N409-Y459 HydrophobicContact CB-CE2 4.39Å
410	A	94.5	Very high	96.3	Very high	12 Å²	12	57 Å²	57	10%	0.099	28%	0.276	C	S	.	.	S	Bend	trans	-155.7	161.9	179.7	0	0	0	0	0	111.7	F405 G408 E414 F456	F405-A410 HydrophobicContact CD1-CB 3.53Å; F405-A410 HydrophobicContact CE1-CB 3.49Å; F405-A410 VanDerWaalsContact CE1-CB 3.49Å; G408-A410 VanDerWaalsContact C-N 3.29Å; G408-A410 PolarHBondContact O-N 3.45Å; A410-E414 WeakPolarHBondContact CA-OE1 3.27Å; A410-F456 HydrophobicContact CB-CD1 4.38Å; A410-F456 HydrophobicContact CB-CD2 4.25Å; A410-F456 HydrophobicContact CB-CE1 4.08Å; A410-F456 HydrophobicContact CB-CE2 3.89Å; A410-F456 HydrophobicContact CB-CZ 3.83Å
411	N	91.5	Very high	96.3	Very high	112 Å²	112	52.5 Å²	52.5	60%	0.599	26%	0.255	S	S	*	.			trans	-94.6	158.6	172.9	-63.9	-56.5	0	0	0	112.1	D413 E414	N411-D413 VanDerWaalsContact C-N 3.27Å; N411-D413 PolarHBondContact O-N 2.97Å; N411-E414 HydrophobicContact CB-CG 4.28Å; N411-E414 PolarHBondContact N-OE1 3.37Å; N411-E414 VanDerWaalsContact O-CB 3.28Å; N411-E414 WeakPolarHBondContact O-CB 3.26Å; N411-E414 PolarHBondContact O-N 3.04Å
412	K	93.1	Very high	96.2	Very high	108 Å²	108	52.5 Å²	52.5	47%	0.47	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-38.5	178.2	-69	-164.7	177	-155.4	0	112.8	E414 I415 E453	K412-E414 PolarHBondContact O-N 3.28Å; K412-E414 VanDerWaalsContact O-N 3.16Å; K412-I415 WeakPolarHBondContact O-CB 3.48Å; K412-I415 WeakPolarHBondContact O-CG1 3.32Å; K412-I415 PolarHBondContact O-N 3.44Å; K412-E453 HydrophobicContact CD-CG 4.28Å; K412-E453 HydrophobicContact CG-CG 4.39Å; K412-E453 IonicContact NZ-OE2 3.38Å; K412-E453 PolarHBondContact NZ-OE2 3.15Å
413	D	94.8	Very high	96.1	Very high	129 Å²	129	56.2 Å²	56.2	69%	0.69	27%	0.271	S	S	*	.	H	α-helix	trans	-62	-23.8	178.6	-57.9	-21	0	0	0	112.4	N411 I415 D416 M417	N411-D413 VanDerWaalsContact C-N 3.27Å; N411-D413 PolarHBondContact O-N 2.97Å; D413-I415 PolarHBondContact O-N 2.91Å; D413-D416 PolarHBondContact O-N 3.19Å; D413-M417 PolarHBondContact O-N 2.8Å
414	E	97.2	Very high	96	Very high	30 Å²	30	58.8 Å²	58.8	14%	0.14	28%	0.28	C	S	.	.	H	α-helix	trans	-70.9	-21.3	178	-60	-171.8	-128.2	0	0	112.9	R404 F405 A410 N411 K412 D416 M417 I418	R404-E414 IonicContact CZ-OE2 3.09Å; R404-E414 IonicContact NH1-OE1 3.35Å; R404-E414 PolarHBondContact NH1-OE1 3.2Å; R404-E414 IonicContact NH1-OE2 2.68Å; R404-E414 PolarHBondContact NH1-OE2 2.92Å; R404-E414 IonicContact NH2-OE2 2.64Å; R404-E414 PolarHBondContact NH2-OE2 3.3Å; F405-E414 HydrophobicContact CE1-CB 3.91Å; F405-E414 HydrophobicContact CZ-CB 4.03Å; A410-E414 WeakPolarHBondContact CA-OE1 3.27Å; N411-E414 HydrophobicContact CB-CG 4.28Å; N411-E414 PolarHBondContact N-OE1 3.37Å; N411-E414 VanDerWaalsContact O-CB 3.28Å; N411-E414 WeakPolarHBondContact O-CB 3.26Å; N411-E414 PolarHBondContact O-N 3.04Å; K412-E414 PolarHBondContact O-N 3.28Å; K412-E414 VanDerWaalsContact O-N 3.16Å; E414-D416 VanDerWaalsContact C-N 3.33Å; E414-M417 HydrophobicContact CB-CE 4.11Å; E414-M417 HydrophobicContact CG-CE 4.11Å; E414-M417 PolarHBondContact O-N 2.58Å; E414-I418 WeakPolarHBondContact O-CG2 3.18Å; E414-I418 PolarHBondContact O-N 2.94Å
415	I	97.3	Very high	95.8	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-63.8	-44	173.6	-58	179.4	0	0	0	109.6	F405 K412 D413 I418 W419 I445 R449 L452 E453 F456	F405-I415 HydrophobicContact CE2-CG1 4.41Å; F405-I415 HydrophobicContact CZ-CG1 4.33Å; K412-I415 WeakPolarHBondContact O-CB 3.48Å; K412-I415 WeakPolarHBondContact O-CG1 3.32Å; K412-I415 PolarHBondContact O-N 3.44Å; D413-I415 PolarHBondContact O-N 2.91Å; I415-I418 WeakPolarHBondContact O-CG2 3.45Å; I415-W419 PolarHBondContact O-N 3.34Å; I415-I445 HydrophobicContact CG2-CG1 4.17Å; I415-I445 HydrophobicContact CG2-CG2 3.73Å; I415-R449 HydrophobicContact CD1-CG 4.36Å; I415-R449 HydrophobicContact CG2-CG 4.39Å; I415-L452 HydrophobicContact CD1-CB 3.83Å; I415-L452 HydrophobicContact CD1-CD1 4.48Å; I415-L452 HydrophobicContact CG2-CD1 4.41Å; I415-E453 HydrophobicContact CD1-CG 3.71Å; I415-F456 HydrophobicContact CD1-CD2 4.35Å; I415-F456 HydrophobicContact CD1-CE2 3.79Å; I415-F456 HydrophobicContact CD1-CZ 4.49Å; I415-F456 HydrophobicContact CG1-CE2 3.59Å; I415-F456 HydrophobicContact CG1-CZ 4.22Å
416	D	97	Very high	95.5	Very high	64 Å²	64	58.1 Å²	58.1	34%	0.342	28%	0.28	S	S	.	.	H	α-helix	trans	-73.8	-36	178	-64.4	-43.8	0	0	0	110.7	D413 E414 I418 W419 E420 R449	D413-D416 PolarHBondContact O-N 3.19Å; E414-D416 VanDerWaalsContact C-N 3.33Å; D416-I418 PolarHBondContact O-N 3.38Å; D416-W419 WeakPolarHBondContact O-CB 3.33Å; D416-W419 PolarHBondContact O-N 3.39Å; D416-E420 WeakPolarHBondContact O-CG 3.48Å; D416-E420 PolarHBondContact O-N 3.36Å; D416-R449 IonicContact OD1-CZ 2.94Å; D416-R449 IonicContact OD1-NH1 3.15Å; D416-R449 PolarHBondContact OD1-NH1 3.03Å; D416-R449 IonicContact OD1-NH2 2.91Å; D416-R449 PolarHBondContact OD1-NH2 3.5Å; D416-R449 IonicContact OD2-CZ 3.82Å; D416-R449 IonicContact OD2-NH1 2.75Å; D416-R449 IonicContact OD2-NH2 3.05Å; D416-R449 PolarHBondContact OD2-NH2 2.9Å
417	M	96.8	Very high	95.1	Very high	64 Å²	64	59.8 Å²	59.8	32%	0.315	30%	0.304	S	S	.	.	H	α-helix	trans	-59.2	-48.1	172.5	-175.9	-174.5	65.2	0	0	112.4	W397 I401 D413 E414 W419 E420 I421	W397-M417 HydrophobicContact CZ2-SD 4.48Å; I401-M417 HydrophobicContact CD1-CE 3.95Å; I401-M417 HydrophobicContact CG1-CE 4.46Å; D413-M417 PolarHBondContact O-N 2.8Å; E414-M417 HydrophobicContact CB-CE 4.11Å; E414-M417 HydrophobicContact CG-CE 4.11Å; E414-M417 PolarHBondContact O-N 2.58Å; M417-W419 VanDerWaalsContact C-N 3.25Å; M417-W419 PolarHBondContact O-N 2.93Å; M417-E420 WeakPolarHBondContact O-CB 3.34Å; M417-E420 PolarHBondContact O-N 2.98Å; M417-I421 HydrophobicContact CG-CD1 3.99Å; M417-I421 VanDerWaalsContact O-CG1 3.31Å; M417-I421 WeakPolarHBondContact O-CG1 3.49Å; M417-I421 PolarHBondContact O-N 2.93Å
418	I	97.1	Very high	94.8	Very high	0 Å²	0	61 Å²	61	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-66.6	-31.3	179.9	-165	179.5	0	0	0	111.3	L398 I401 M402 F405 E414 I415 D416 I421 S422 V441 I445	L398-I418 HydrophobicContact CD2-CD1 3.92Å; L398-I418 HydrophobicContact CD2-CG1 3.41Å; L398-I418 VanDerWaalsContact CD2-CG1 3.41Å; I401-I418 HydrophobicContact CB-CD1 4.01Å; I401-I418 HydrophobicContact CD1-CB 4.35Å; I401-I418 HydrophobicContact CD1-CG1 4.19Å; I401-I418 HydrophobicContact CG2-CB 4.24Å; I401-I418 HydrophobicContact CG2-CD1 3.76Å; I401-I418 HydrophobicContact CG2-CG1 4.29Å; M402-I418 HydrophobicContact CG-CD1 3.96Å; M402-I418 HydrophobicContact SD-CD1 3.8Å; F405-I418 HydrophobicContact CE2-CD1 4.37Å; F405-I418 HydrophobicContact CE2-CG2 3.76Å; F405-I418 HydrophobicContact CZ-CG2 3.98Å; E414-I418 WeakPolarHBondContact O-CG2 3.18Å; E414-I418 PolarHBondContact O-N 2.94Å; I415-I418 WeakPolarHBondContact O-CG2 3.45Å; D416-I418 PolarHBondContact O-N 3.38Å; I418-I421 PolarHBondContact O-N 3.18Å; I418-S422 WeakPolarHBondContact O-CB 3.3Å; I418-S422 PolarHBondContact O-N 3.06Å; I418-V441 HydrophobicContact CD1-CG1 3.62Å; I418-V441 HydrophobicContact CG1-CG1 3.88Å; I418-V441 HydrophobicContact CG2-CG1 4.46Å; I418-I445 HydrophobicContact CG2-CD1 3.53Å; I418-I445 HydrophobicContact CG2-CG1 4.45Å
419	W	97	Very high	94.6	Very high	84 Å²	84	62.3 Å²	62.3	32%	0.318	31%	0.313	S	S	.	.	H	α-helix	trans	-61.7	-48.5	170.9	178.4	-89.3	0	0	0	111	I415 D416 M417 I421 S422 K423 Q442 I445	I415-W419 PolarHBondContact O-N 3.34Å; D416-W419 WeakPolarHBondContact O-CB 3.33Å; D416-W419 PolarHBondContact O-N 3.39Å; M417-W419 VanDerWaalsContact C-N 3.25Å; M417-W419 PolarHBondContact O-N 2.93Å; W419-I421 PolarHBondContact O-N 3.29Å; W419-S422 WeakPolarHBondContact O-CB 3.34Å; W419-S422 PolarHBondContact O-N 2.95Å; W419-S422 PolarHBondContact O-OG 3.35Å; W419-K423 WeakPolarHBondContact O-CG 3.47Å; W419-K423 PolarHBondContact O-N 3.2Å; W419-Q442 HydrophobicContact CE3-CB 4.24Å; W419-Q442 HydrophobicContact CE3-CG 4.11Å; W419-Q442 HydrophobicContact CH2-CB 4.32Å; W419-Q442 HydrophobicContact CH2-CG 4.48Å; W419-Q442 HydrophobicContact CZ3-CB 3.74Å; W419-Q442 HydrophobicContact CZ3-CG 4Å; W419-Q442 WeakPolarHBondContact CZ3-O 3.49Å; W419-I445 HydrophobicContact CB-CD1 4.13Å; W419-I445 HydrophobicContact CE3-CB 4.14Å; W419-I445 HydrophobicContact CE3-CD1 4.19Å; W419-I445 HydrophobicContact CE3-CG2 3.97Å
420	E	96.6	Very high	94.5	Very high	119 Å²	119	60.9 Å²	60.9	56%	0.556	31%	0.305	S	S	*	.	H	α-helix	trans	-59.9	-44.6	176.3	-71.3	-177.9	179.4	0	0	112.5	D416 M417 S422 K423 Q424	D416-E420 WeakPolarHBondContact O-CG 3.48Å; D416-E420 PolarHBondContact O-N 3.36Å; M417-E420 WeakPolarHBondContact O-CB 3.34Å; M417-E420 PolarHBondContact O-N 2.98Å; E420-S422 VanDerWaalsContact C-N 3.31Å; E420-S422 PolarHBondContact O-N 2.66Å; E420-K423 PolarHBondContact O-N 3.47Å; E420-K423 VanDerWaalsContact O-N 3.13Å; E420-Q424 WeakPolarHBondContact O-CG 3.34Å; E420-Q424 PolarHBondContact O-N 3.28Å
421	I	96	Very high	94.4	Very high	7 Å²	7	61.2 Å²	61.2	4%	0.036	31%	0.306	C	S	.	.	H	α-helix	trans	-58.2	-46.1	176.1	-66.3	163	0	0	0	110.2	W397 L398 I401 M417 I418 W419 K423 Q424 M425	W397-I421 HydrophobicContact CD2-CD1 3.65Å; W397-I421 HydrophobicContact CD2-CG1 4.39Å; W397-I421 HydrophobicContact CE3-CD1 3.7Å; W397-I421 HydrophobicContact CE3-CG1 3.93Å; W397-I421 HydrophobicContact CE3-CG2 3.98Å; W397-I421 HydrophobicContact CG-CD1 4.43Å; W397-I421 HydrophobicContact CH2-CD1 3.55Å; W397-I421 HydrophobicContact CH2-CG1 3.85Å; W397-I421 HydrophobicContact CZ2-CD1 3.49Å; W397-I421 VanDerWaalsContact CZ2-CD1 3.49Å; W397-I421 HydrophobicContact CZ2-CG1 4.31Å; W397-I421 HydrophobicContact CZ3-CD1 3.66Å; W397-I421 HydrophobicContact CZ3-CG1 3.64Å; W397-I421 HydrophobicContact CZ3-CG2 4.41Å; L398-I421 HydrophobicContact CD2-CB 4.33Å; L398-I421 HydrophobicContact CD2-CG2 3.83Å; L398-I421 HydrophobicContact CG-CG2 4.36Å; I401-I421 HydrophobicContact CD1-CD1 3.57Å; M417-I421 HydrophobicContact CG-CD1 3.99Å; M417-I421 VanDerWaalsContact O-CG1 3.31Å; M417-I421 WeakPolarHBondContact O-CG1 3.49Å; M417-I421 PolarHBondContact O-N 2.93Å; I418-I421 PolarHBondContact O-N 3.18Å; W419-I421 PolarHBondContact O-N 3.29Å; I421-K423 VanDerWaalsContact C-N 3.26Å; I421-K423 PolarHBondContact O-N 2.98Å; I421-Q424 WeakPolarHBondContact O-CB 3.34Å; I421-Q424 PolarHBondContact O-N 2.99Å; I421-M425 HydrophobicContact CG2-SD 4.35Å; I421-M425 WeakPolarHBondContact O-CG 2.96Å; I421-M425 PolarHBondContact O-N 3.46Å; I421-M425 VanDerWaalsContact O-N 3.07Å
422	S	96.2	Very high	94.5	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-59.6	-37.7	178.3	84.1	0	0	0	0	112	I418 W419 E420 M425 E426 Q442	I418-S422 WeakPolarHBondContact O-CB 3.3Å; I418-S422 PolarHBondContact O-N 3.06Å; W419-S422 WeakPolarHBondContact O-CB 3.34Å; W419-S422 PolarHBondContact O-N 2.95Å; W419-S422 PolarHBondContact O-OG 3.35Å; E420-S422 VanDerWaalsContact C-N 3.31Å; E420-S422 PolarHBondContact O-N 2.66Å; S422-M425 PolarHBondContact O-N 3.23Å; S422-E426 PolarHBondContact O-N 3.49Å; S422-E426 VanDerWaalsContact O-N 3.09Å; S422-Q442 WeakPolarHBondContact OG-CG 3.45Å; S422-Q442 PolarHBondContact OG-NE2 3.03Å
423	K	95.4	Very high	94.7	Very high	79 Å²	79	54 Å²	54	34%	0.343	28%	0.281	S	S	.	.	H	α-helix	trans	-74.6	-23.9	176.6	-68.1	-70.9	164	-158.5	0	113.4	W419 E420 I421 E426	W419-K423 WeakPolarHBondContact O-CG 3.47Å; W419-K423 PolarHBondContact O-N 3.2Å; E420-K423 PolarHBondContact O-N 3.47Å; E420-K423 VanDerWaalsContact O-N 3.13Å; I421-K423 VanDerWaalsContact C-N 3.26Å; I421-K423 PolarHBondContact O-N 2.98Å; K423-E426 WeakPolarHBondContact CD-OE2 3.46Å; K423-E426 IonicContact NZ-OE2 3.85Å; K423-E426 PolarHBondContact NZ-OE2 3.21Å
424	Q	94.4	Very high	94.7	Very high	98 Å²	98	47.9 Å²	47.9	46%	0.458	25%	0.248	S	C	.	.	H	α-helix	trans	-77.9	-24.2	172.3	-69.7	177.7	14.3	0	0	112.6	E420 I421 R428	E420-Q424 WeakPolarHBondContact O-CG 3.34Å; E420-Q424 PolarHBondContact O-N 3.28Å; I421-Q424 WeakPolarHBondContact O-CB 3.34Å; I421-Q424 PolarHBondContact O-N 2.99Å; Q424-R428 VanDerWaalsContact O-CD 3.24Å; Q424-R428 WeakPolarHBondContact O-CD 3.27Å
425	M	94.1	Very high	94.5	Very high	4 Å²	4	47.7 Å²	47.7	2%	0.02	25%	0.249	C	C	.	.	H	α-helix	trans	-78.1	-44.2	172.3	-66.4	173	61.5	0	0	111.6	G394 C395 L398 I421 S422 G427 R428 A434 A437	G394-M425 VanDerWaalsContact C-SD 3.57Å; C395-M425 VanDerWaalsContact SG-CE 3.59Å; L398-M425 HydrophobicContact CD1-CE 3.92Å; L398-M425 HydrophobicContact CD1-SD 3.48Å; L398-M425 WeakPolarHBondContact CD1-SD 3.45Å; L398-M425 HydrophobicContact CG-SD 3.86Å; I421-M425 HydrophobicContact CG2-SD 4.35Å; I421-M425 WeakPolarHBondContact O-CG 2.96Å; I421-M425 PolarHBondContact O-N 3.46Å; I421-M425 VanDerWaalsContact O-N 3.07Å; S422-M425 PolarHBondContact O-N 3.23Å; M425-G427 PolarHBondContact O-N 3.01Å; M425-R428 PolarHBondContact O-N 3.2Å; M425-A434 HydrophobicContact CB-CB 4.37Å; M425-A434 HydrophobicContact CE-CB 4.14Å; M425-A437 HydrophobicContact CE-CB 4.24Å
426	E	91	Very high	94.3	Very high	58 Å²	58	47.8 Å²	47.8	27%	0.271	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	127.3	-174.5	-173.3	173.9	-169.6	0	0	112.3	S422 K423 R428 D435 W439 Q442	S422-E426 PolarHBondContact O-N 3.49Å; S422-E426 VanDerWaalsContact O-N 3.09Å; K423-E426 WeakPolarHBondContact CD-OE2 3.46Å; K423-E426 IonicContact NZ-OE2 3.85Å; K423-E426 PolarHBondContact NZ-OE2 3.21Å; E426-R428 PolarHBondContact O-N 3.44Å; E426-D435 VanDerWaalsContact CA-OD1 3.26Å; E426-D435 WeakPolarHBondContact CA-OD1 3.46Å; E426-W439 PolarHBondContact OE1-NE1 3.17Å; E426-Q442 PolarHBondContact OE2-NE2 3.1Å; E426-Q442 VanDerWaalsContact OE2-NE2 3.13Å
427	G	89.6	Confident	94.3	Very high	68 Å²	68	44.7 Å²	44.7	70%	0.701	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	65	5.7	178.4	0	0	0	0	0	115.9	M425 D435	M425-G427 PolarHBondContact O-N 3.01Å; G427-D435 PolarHBondContact N-OD1 3.48Å
428	R	90.7	Very high	94.3	Very high	169 Å²	169	41.7 Å²	41.7	64%	0.638	22%	0.218	S	C	*	.	S	Bend	trans	-110.2	16.4	177.5	-54.5	-165.1	-167.6	174.3	-3.2	113.2	Q424 M425 E426	Q424-R428 VanDerWaalsContact O-CD 3.24Å; Q424-R428 WeakPolarHBondContact O-CD 3.27Å; M425-R428 PolarHBondContact O-N 3.2Å; E426-R428 PolarHBondContact O-N 3.44Å
429	T	90	Very high	94.3	Very high	28 Å²	28	45.6 Å²	45.6	17%	0.172	23%	0.233	C	C	.	.	S	Bend	trans	-119.1	168	-175.9	52.9	0	0	0	0	111.4	P390 C391 C431 A434	P390-T429 HydrophobicContact CB-CG2 3.8Å; P390-T429 HydrophobicContact CG-CG2 4.42Å; C391-T429 HydrophobicContact CB-CG2 3.9Å; T429-C431 PolarHBondContact OG1-O 3.25Å; T429-A434 HydrophobicContact CG2-CB 3.48Å; T429-A434 VanDerWaalsContact CG2-CB 3.48Å; T429-A434 WeakPolarHBondContact OG1-CB 3.49Å
430	I	93.4	Very high	94.4	Very high	46 Å²	46	41.7 Å²	41.7	24%	0.236	22%	0.218	C	C	.	.	S	Bend	trans	-72.9	-35.5	-177.2	-64.6	171.1	0	0	0	111	P229 L231 Q387 C388	P229-I430 HydrophobicContact CB-CG2 3.92Å; L231-I430 HydrophobicContact CD1-CG1 4.33Å; L231-I430 HydrophobicContact CD1-CG2 4.4Å; Q387-I430 HydrophobicContact CG-CD1 3.8Å; C388-I430 HydrophobicContact CB-CD1 3.8Å; C388-I430 HydrophobicContact CB-CG1 3.84Å
431	C	93.9	Very high	94.4	Very high	18 Å²	18	36 Å²	36	12%	0.122	19%	0.191	C	C	.	.	S	Bend	trans	-134.6	168.9	-178	77.8	0	0	0	0	110.9	E214 P229 T429 L433	E214-C431 HydrophobicContact CG-CB 3.96Å; P229-C431 HydrophobicContact CB-CB 3.86Å; P229-C431 HydrophobicContact CG-CB 3.72Å; T429-C431 PolarHBondContact OG1-O 3.25Å; C431-L433 PolarHBondContact O-N 3.38Å; C431-L433 VanDerWaalsContact O-N 3.14Å
432	A	93.9	Very high	94.5	Very high	62 Å²	62	36 Å²	36	51%	0.512	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	7.2	-175.9	0	0	0	0	0	115.2	A434 D435 G436	A432-A434 VanDerWaalsContact C-N 3.3Å; A432-A434 PolarHBondContact O-N 3.13Å; A432-D435 WeakPolarHBondContact O-CB 3.35Å; A432-D435 PolarHBondContact O-N 3.3Å; A432-G436 PolarHBondContact O-N 2.93Å
433	L	95.8	Very high	94.6	Very high	7 Å²	7	36 Å²	36	4%	0.037	19%	0.191	C	C	.	.	H	α-helix	trans	-61.3	-41.1	177.8	-174.2	149.8	0	0	0	111.4	Y210 I211 Y380 E383 C391 C431 D435 G436 A437	Y210-L433 HydrophobicContact CD1-CD1 3.78Å; Y210-L433 HydrophobicContact CE1-CD1 3.61Å; Y210-L433 HydrophobicContact CE1-CG 3.99Å; I211-L433 HydrophobicContact CB-CD1 4.21Å; I211-L433 HydrophobicContact CD1-CB 4.27Å; I211-L433 HydrophobicContact CD1-CD1 3.76Å; I211-L433 HydrophobicContact CG1-CD1 4.43Å; Y380-L433 HydrophobicContact CD1-CD2 4.08Å; Y380-L433 HydrophobicContact CD1-CG 4.11Å; E383-L433 WeakPolarHBondContact O-CD1 3.41Å; C391-L433 WeakPolarHBondContact SG-CD2 3.47Å; C431-L433 PolarHBondContact O-N 3.38Å; C431-L433 VanDerWaalsContact O-N 3.14Å; L433-D435 VanDerWaalsContact C-N 3.3Å; L433-D435 PolarHBondContact O-N 3.41Å; L433-G436 CarbonylContact O-C 3.35Å; L433-G436 PolarHBondContact O-N 2.93Å; L433-A437 PolarHBondContact O-N 3.07Å
434	A	94.4	Very high	94.7	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-68.8	-31.7	179.8	0	0	0	0	0	112.5	C391 M425 T429 A432 A437 A438	C391-A434 HydrophobicContact CB-CB 3.98Å; M425-A434 HydrophobicContact CB-CB 4.37Å; M425-A434 HydrophobicContact CE-CB 4.14Å; T429-A434 HydrophobicContact CG2-CB 3.48Å; T429-A434 VanDerWaalsContact CG2-CB 3.48Å; T429-A434 WeakPolarHBondContact OG1-CB 3.49Å; A432-A434 VanDerWaalsContact C-N 3.3Å; A432-A434 PolarHBondContact O-N 3.13Å; A434-A437 PolarHBondContact O-N 3.06Å; A434-A438 VanDerWaalsContact O-CB 3.27Å; A434-A438 WeakPolarHBondContact O-CB 3.36Å; A434-A438 PolarHBondContact O-N 3.47Å
435	D	93.9	Very high	94.9	Very high	27 Å²	27	28 Å²	28	14%	0.144	16%	0.155	C	C	.	.	H	α-helix	trans	-63.4	-47.8	171.5	-57.2	-23.2	0	0	0	109.2	E426 G427 A432 L433 A437 A438 W439	E426-D435 VanDerWaalsContact CA-OD1 3.26Å; E426-D435 WeakPolarHBondContact CA-OD1 3.46Å; G427-D435 PolarHBondContact N-OD1 3.48Å; A432-D435 WeakPolarHBondContact O-CB 3.35Å; A432-D435 PolarHBondContact O-N 3.3Å; L433-D435 VanDerWaalsContact C-N 3.3Å; L433-D435 PolarHBondContact O-N 3.41Å; D435-A437 VanDerWaalsContact C-N 3.25Å; D435-A437 PolarHBondContact O-N 3.12Å; D435-A438 PolarHBondContact O-N 2.97Å; D435-A438 VanDerWaalsContact O-N 3.12Å; D435-W439 HydrophobicContact CB-CD2 4.26Å; D435-W439 HydrophobicContact CB-CH2 4.02Å; D435-W439 HydrophobicContact CB-CZ2 3.66Å; D435-W439 HydrophobicContact CB-CZ3 4.47Å; D435-W439 WeakPolarHBondContact O-CB 3.15Å; D435-W439 PolarHBondContact O-N 3.03Å
436	G	93.9	Very high	95.1	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.01	17%	0.17	C	C	.	.	H	α-helix	trans	-61.6	-26.9	173.8	0	0	0	0	0	114.6	Y380 A432 L433 P440	Y380-G436 WeakPolarHBondContact CE2-O 3.49Å; Y380-G436 VanDerWaalsContact CZ-O 3.27Å; A432-G436 PolarHBondContact O-N 2.93Å; L433-G436 CarbonylContact O-C 3.35Å; L433-G436 PolarHBondContact O-N 2.93Å; G436-P440 WeakPolarHBondContact O-CD 3.37Å; G436-P440 VanDerWaalsContact O-CG 3.3Å; G436-P440 WeakPolarHBondContact O-CG 3.14Å
437	A	95.8	Very high	95.4	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-79.2	-36.6	172.5	0	0	0	0	0	112.6	I377 Y380 M425 L433 A434 D435	I377-A437 WeakPolarHBondContact CD1-O 3.46Å; Y380-A437 HydrophobicContact CD1-CB 4.1Å; Y380-A437 HydrophobicContact CD2-CB 4.11Å; Y380-A437 HydrophobicContact CG-CB 3.67Å; M425-A437 HydrophobicContact CE-CB 4.24Å; L433-A437 PolarHBondContact O-N 3.07Å; A434-A437 PolarHBondContact O-N 3.06Å; D435-A437 VanDerWaalsContact C-N 3.25Å; D435-A437 PolarHBondContact O-N 3.12Å
438	A	97	Very high	95.8	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-76	-41.6	-178.6	0	0	0	0	0	112.4	A434 D435 V441 Q442	A434-A438 VanDerWaalsContact O-CB 3.27Å; A434-A438 WeakPolarHBondContact O-CB 3.36Å; A434-A438 PolarHBondContact O-N 3.47Å; D435-A438 PolarHBondContact O-N 2.97Å; D435-A438 VanDerWaalsContact O-N 3.12Å; A438-V441 WeakPolarHBondContact O-CB 3.43Å; A438-V441 PolarHBondContact O-N 3.39Å; A438-Q442 WeakPolarHBondContact O-CG 3.24Å; A438-Q442 PolarHBondContact O-N 2.99Å
439	W	97.7	Very high	96.1	Very high	83 Å²	83	24.7 Å²	24.7	31%	0.314	12%	0.122	S	C	.	.	H	α-helix	trans	-62	-38.5	-172.1	-72.7	-11.1	0	0	0	115.2	S329 P331 E426 D435 V441 Q442 G443	S329-W439 WeakPolarHBondContact O-CB 3.24Å; S329-W439 VanDerWaalsContact O-CE3 3.25Å; P331-W439 HydrophobicContact CG-CB 3.91Å; P331-W439 HydrophobicContact CG-CG 4.39Å; E426-W439 PolarHBondContact OE1-NE1 3.17Å; D435-W439 HydrophobicContact CB-CD2 4.26Å; D435-W439 HydrophobicContact CB-CH2 4.02Å; D435-W439 HydrophobicContact CB-CZ2 3.66Å; D435-W439 HydrophobicContact CB-CZ3 4.47Å; D435-W439 WeakPolarHBondContact O-CB 3.15Å; D435-W439 PolarHBondContact O-N 3.03Å; W439-V441 VanDerWaalsContact C-N 3.34Å; W439-V441 PolarHBondContact O-N 3.33Å; W439-Q442 PolarHBondContact O-N 2.83Å; W439-G443 PolarHBondContact O-N 3.48Å
440	P	97.6	Very high	96.5	Very high	1 Å²	1	28 Å²	28	1%	0.006	14%	0.143	C	C	.	.	H	α-helix	trans	-63.7	-39.2	174.3	-27.5	38.9	0	0	0	112.6	S328 I373 I377 Y380 G436 G443 L444	S328-P440 WeakPolarHBondContact O-CG 3.24Å; I373-P440 HydrophobicContact CD1-CB 4.31Å; I373-P440 HydrophobicContact CG2-CB 4.12Å; I377-P440 HydrophobicContact CD1-CB 4.33Å; Y380-P440 HydrophobicContact CE2-CG 4.43Å; G436-P440 WeakPolarHBondContact O-CD 3.37Å; G436-P440 VanDerWaalsContact O-CG 3.3Å; G436-P440 WeakPolarHBondContact O-CG 3.14Å; P440-G443 PolarHBondContact O-N 2.86Å; P440-L444 WeakPolarHBondContact O-CB 3.47Å; P440-L444 PolarHBondContact O-N 3.25Å
441	V	97.7	Very high	96.7	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-65.4	-45.7	174.5	-179.3	0	0	0	0	110.5	I377 L398 M402 I418 A438 W439 G443 L444 I445	I377-V441 HydrophobicContact CD1-CG2 3.49Å; I377-V441 VanDerWaalsContact CD1-CG2 3.49Å; I377-V441 HydrophobicContact CG1-CG2 3.58Å; L398-V441 HydrophobicContact CD1-CG2 4.34Å; M402-V441 HydrophobicContact CG-CG2 4.44Å; M402-V441 HydrophobicContact SD-CG1 4.47Å; I418-V441 HydrophobicContact CD1-CG1 3.62Å; I418-V441 HydrophobicContact CG1-CG1 3.88Å; I418-V441 HydrophobicContact CG2-CG1 4.46Å; A438-V441 WeakPolarHBondContact O-CB 3.43Å; A438-V441 PolarHBondContact O-N 3.39Å; W439-V441 VanDerWaalsContact C-N 3.34Å; W439-V441 PolarHBondContact O-N 3.33Å; V441-G443 VanDerWaalsContact C-N 3.32Å; V441-G443 PolarHBondContact O-N 2.98Å; V441-L444 WeakPolarHBondContact O-CB 2.98Å; V441-L444 PolarHBondContact O-N 3Å; V441-I445 HydrophobicContact CG1-CD1 3.75Å; V441-I445 HydrophobicContact CG1-CG1 4.46Å; V441-I445 WeakPolarHBondContact O-CG1 3.36Å; V441-I445 PolarHBondContact O-N 3.25Å
442	Q	97.9	Very high	96.8	Very high	7 Å²	7	27.7 Å²	27.7	3%	0.033	14%	0.139	C	C	.	.	H	α-helix	trans	-60.7	-41.9	176.6	-68.9	178.1	19.2	0	0	111.7	W419 S422 E426 A438 W439 I445 R446	W419-Q442 HydrophobicContact CE3-CB 4.24Å; W419-Q442 HydrophobicContact CE3-CG 4.11Å; W419-Q442 HydrophobicContact CH2-CB 4.32Å; W419-Q442 HydrophobicContact CH2-CG 4.48Å; W419-Q442 HydrophobicContact CZ3-CB 3.74Å; W419-Q442 HydrophobicContact CZ3-CG 4Å; W419-Q442 WeakPolarHBondContact CZ3-O 3.49Å; S422-Q442 WeakPolarHBondContact OG-CG 3.45Å; S422-Q442 PolarHBondContact OG-NE2 3.03Å; E426-Q442 PolarHBondContact OE2-NE2 3.1Å; E426-Q442 VanDerWaalsContact OE2-NE2 3.13Å; A438-Q442 WeakPolarHBondContact O-CG 3.24Å; A438-Q442 PolarHBondContact O-N 2.99Å; W439-Q442 PolarHBondContact O-N 2.83Å; Q442-I445 PolarHBondContact O-N 3.03Å; Q442-R446 VanDerWaalsContact O-CB 3.28Å; Q442-R446 WeakPolarHBondContact O-CB 3.38Å; Q442-R446 PolarHBondContact O-N 2.89Å
443	G	97.9	Very high	97	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-61.8	-45.3	174.6	0	0	0	0	0	112.5	W439 P440 V441 R446 H447	W439-G443 PolarHBondContact O-N 3.48Å; P440-G443 PolarHBondContact O-N 2.86Å; V441-G443 VanDerWaalsContact C-N 3.32Å; V441-G443 PolarHBondContact O-N 2.98Å; G443-R446 PolarHBondContact O-N 2.96Å; G443-H447 PolarHBondContact O-CD2 3.23Å; G443-H447 VanDerWaalsContact O-CD2 3.23Å; G443-H447 PolarHBondContact O-N 3.25Å; G443-H447 VanDerWaalsContact O-N 3.1Å
444	L	98.4	Very high	97	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-58.2	-50.2	175.6	-178.7	71.1	0	0	0	111.7	L332 V369 V370 I373 M402 P440 V441 R446 H447 F448 L452	L332-L444 HydrophobicContact CD2-CB 4.14Å; L332-L444 HydrophobicContact CD2-CD1 4.37Å; V369-L444 HydrophobicContact CG1-CD1 4.02Å; V369-L444 HydrophobicContact CG2-CD1 4.02Å; V370-L444 HydrophobicContact CG2-CD1 4.47Å; I373-L444 HydrophobicContact CB-CD2 4.08Å; I373-L444 HydrophobicContact CG1-CB 4.21Å; I373-L444 HydrophobicContact CG1-CD1 4.11Å; I373-L444 HydrophobicContact CG1-CD2 4.39Å; I373-L444 HydrophobicContact CG1-CG 4.47Å; I373-L444 HydrophobicContact CG2-CB 4.29Å; I373-L444 HydrophobicContact CG2-CD2 4.1Å; M402-L444 HydrophobicContact CE-CD2 3.52Å; M402-L444 HydrophobicContact SD-CD2 4.27Å; P440-L444 WeakPolarHBondContact O-CB 3.47Å; P440-L444 PolarHBondContact O-N 3.25Å; V441-L444 WeakPolarHBondContact O-CB 2.98Å; V441-L444 PolarHBondContact O-N 3Å; L444-R446 PolarHBondContact O-N 2.99Å; L444-H447 PolarHBondContact O-N 2.8Å; L444-F448 HydrophobicContact CD1-CB 3.93Å; L444-F448 HydrophobicContact CD1-CG 4.45Å; L444-F448 CarbonylContact O-C 3.49Å; L444-F448 VanDerWaalsContact O-CA 3.28Å; L444-F448 WeakPolarHBondContact O-CA 3.5Å; L444-F448 WeakPolarHBondContact O-CB 3.35Å; L444-F448 PolarHBondContact O-N 2.74Å; L444-L452 HydrophobicContact CD2-CD1 4.48Å; L444-L452 HydrophobicContact CD2-CD2 4.38Å; L444-L452 HydrophobicContact CG-CD1 4.46Å
445	I	98	Very high	97.1	Very high	9 Å²	9	32.1 Å²	32.1	5%	0.046	16%	0.157	C	C	.	.	H	α-helix	trans	-62.7	-46.8	-179	-66.5	162.5	0	0	0	110.2	I415 I418 W419 V441 Q442 H447 R449 L452	I415-I445 HydrophobicContact CG2-CG1 4.17Å; I415-I445 HydrophobicContact CG2-CG2 3.73Å; I418-I445 HydrophobicContact CG2-CD1 3.53Å; I418-I445 HydrophobicContact CG2-CG1 4.45Å; W419-I445 HydrophobicContact CB-CD1 4.13Å; W419-I445 HydrophobicContact CE3-CB 4.14Å; W419-I445 HydrophobicContact CE3-CD1 4.19Å; W419-I445 HydrophobicContact CE3-CG2 3.97Å; V441-I445 HydrophobicContact CG1-CD1 3.75Å; V441-I445 HydrophobicContact CG1-CG1 4.46Å; V441-I445 WeakPolarHBondContact O-CG1 3.36Å; V441-I445 PolarHBondContact O-N 3.25Å; Q442-I445 PolarHBondContact O-N 3.03Å; I445-H447 VanDerWaalsContact C-N 3.31Å; I445-H447 PolarHBondContact O-N 3.03Å; I445-R449 WeakPolarHBondContact O-CB 3.06Å; I445-R449 PolarHBondContact O-N 3.05Å; I445-R449 VanDerWaalsContact O-N 3.13Å; I445-L452 HydrophobicContact CG1-CD1 4.29Å
446	R	97.7	Very high	97.2	Very high	85 Å²	85	31.4 Å²	31.4	32%	0.321	15%	0.153	S	C	.	.	H	α-helix	trans	-62.2	-37.3	-176.2	-176.5	173.3	59.7	-122.7	3.5	113.2	N352 Q442 G443 L444	N352-R446 PolarHBondContact O-NH2 3.3Å; Q442-R446 VanDerWaalsContact O-CB 3.28Å; Q442-R446 WeakPolarHBondContact O-CB 3.38Å; Q442-R446 PolarHBondContact O-N 2.89Å; G443-R446 PolarHBondContact O-N 2.96Å; L444-R446 PolarHBondContact O-N 2.99Å
447	H	98	Very high	97.2	Very high	46 Å²	46	34 Å²	34	21%	0.213	18%	0.175	C	C	.	.	H	α-helix	trans	-104.5	-24.5	-172.9	-61.7	-62.3	0	0	0	113.9	L332 P334 G443 L444 I445	L332-H447 HydrophobicContact CD1-CB 4.21Å; L332-H447 PolarHBondContact O-CD2 2.83Å; L332-H447 VanDerWaalsContact O-CD2 3.22Å; P334-H447 HydrophobicContact CG-CB 4.32Å; G443-H447 PolarHBondContact O-CD2 3.23Å; G443-H447 VanDerWaalsContact O-CD2 3.23Å; G443-H447 PolarHBondContact O-N 3.25Å; G443-H447 VanDerWaalsContact O-N 3.1Å; L444-H447 PolarHBondContact O-N 2.8Å; I445-H447 VanDerWaalsContact C-N 3.31Å; I445-H447 PolarHBondContact O-N 3.03Å
448	F	98	Very high	97	Very high	20 Å²	20	40.2 Å²	40.2	9%	0.088	20%	0.202	C	C	.	.	H	α-helix	trans	-128.3	21.8	-172.7	-64.9	-88.1	0	0	0	113.2	L321 A322 L332 V369 L444 P450 E451 L452	L321-F448 HydrophobicContact CD1-CE1 3.62Å; L321-F448 HydrophobicContact CD1-CZ 4.13Å; L321-F448 HydrophobicContact CG-CE1 3.93Å; L321-F448 HydrophobicContact CG-CZ 4.06Å; A322-F448 HydrophobicContact CB-CE2 3.99Å; A322-F448 HydrophobicContact CB-CZ 3.92Å; L332-F448 HydrophobicContact CD1-CD2 3.57Å; L332-F448 HydrophobicContact CD1-CE2 3.26Å; L332-F448 HydrophobicContact CD1-CZ 4.46Å; V369-F448 HydrophobicContact CG1-CB 4.49Å; V369-F448 HydrophobicContact CG1-CD1 4.03Å; V369-F448 HydrophobicContact CG1-CG 4.14Å; L444-F448 HydrophobicContact CD1-CB 3.93Å; L444-F448 HydrophobicContact CD1-CG 4.45Å; L444-F448 CarbonylContact O-C 3.49Å; L444-F448 VanDerWaalsContact O-CA 3.28Å; L444-F448 WeakPolarHBondContact O-CA 3.5Å; L444-F448 WeakPolarHBondContact O-CB 3.35Å; L444-F448 PolarHBondContact O-N 2.74Å; F448-P450 VanDerWaalsContact C-CD 3.47Å; F448-P450 VanDerWaalsContact C-N 3.31Å; F448-E451 HydrophobicContact CB-CB 4.26Å; F448-E451 WeakPolarHBondContact CD1-OE2 3.39Å; F448-E451 WeakPolarHBondContact O-CB 3.25Å; F448-E451 PolarHBondContact O-N 2.99Å; F448-L452 PolarHBondContact O-N 3.37Å; F448-L452 VanDerWaalsContact O-N 3.09Å
449	R	97.9	Very high	96.8	Very high	79 Å²	79	43.2 Å²	43.2	30%	0.298	21%	0.213	S	C	.	.	H	α-helix	trans	-50.7	-43.5	168.1	176.8	172.5	-167.6	142.5	7.8	113.1	I415 D416 I445 E451 L452 E453	I415-R449 HydrophobicContact CD1-CG 4.36Å; I415-R449 HydrophobicContact CG2-CG 4.39Å; D416-R449 IonicContact OD1-CZ 2.94Å; D416-R449 IonicContact OD1-NH1 3.15Å; D416-R449 PolarHBondContact OD1-NH1 3.03Å; D416-R449 IonicContact OD1-NH2 2.91Å; D416-R449 PolarHBondContact OD1-NH2 3.5Å; D416-R449 IonicContact OD2-CZ 3.82Å; D416-R449 IonicContact OD2-NH1 2.75Å; D416-R449 IonicContact OD2-NH2 3.05Å; D416-R449 PolarHBondContact OD2-NH2 2.9Å; I445-R449 WeakPolarHBondContact O-CB 3.06Å; I445-R449 PolarHBondContact O-N 3.05Å; I445-R449 VanDerWaalsContact O-N 3.13Å; R449-E451 PolarHBondContact O-N 3.03Å; R449-L452 WeakPolarHBondContact O-CB 3.48Å; R449-L452 PolarHBondContact O-N 3.36Å; R449-E453 HydrophobicContact CG-CG 4.25Å; R449-E453 WeakPolarHBondContact CG-OE1 3.41Å; R449-E453 IonicContact NE-OE1 2.74Å; R449-E453 PolarHBondContact NE-OE1 3.49Å; R449-E453 WeakPolarHBondContact O-CG 3.46Å; R449-E453 PolarHBondContact O-N 3.16Å
450	P	97.2	Very high	96.2	Very high	97 Å²	97	40.7 Å²	40.7	63%	0.63	21%	0.213	S	C	*	.	H	α-helix	trans	-58.7	-35.3	175.8	-26.5	36.3	0	0	0	113.5	F448 A454	F448-P450 VanDerWaalsContact C-CD 3.47Å; F448-P450 VanDerWaalsContact C-N 3.31Å; P450-A454 VanDerWaalsContact O-CB 3.27Å; P450-A454 WeakPolarHBondContact O-CB 3.36Å; P450-A454 PolarHBondContact O-N 3.44Å
451	E	97.1	Very high	95.4	Very high	57 Å²	57	45.6 Å²	45.6	27%	0.266	24%	0.238	S	C	.	.	H	α-helix	trans	-69.9	-41.4	177.1	-170.5	-177.5	149.2	0	0	111.8	V369 F448 R449 A454 R455	V369-E451 WeakPolarHBondContact CG1-OE1 3.47Å; V369-E451 WeakPolarHBondContact CG1-OE2 2.91Å; F448-E451 HydrophobicContact CB-CB 4.26Å; F448-E451 WeakPolarHBondContact CD1-OE2 3.39Å; F448-E451 WeakPolarHBondContact O-CB 3.25Å; F448-E451 PolarHBondContact O-N 2.99Å; R449-E451 PolarHBondContact O-N 3.03Å; E451-A454 PolarHBondContact O-N 3.33Å; E451-R455 WeakPolarHBondContact O-CB 3.46Å; E451-R455 PolarHBondContact O-N 3.01Å; E451-R455 IonicContact OE1-NH2 3.23Å
452	L	97.7	Very high	94.6	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-60.2	-50	173.7	-69.6	170.8	0	0	0	111.1	V370 F405 I415 L444 I445 F448 R449 A454 R455 F456	V370-L452 HydrophobicContact CB-CD2 4.45Å; V370-L452 HydrophobicContact CG1-CD2 3.82Å; V370-L452 HydrophobicContact CG2-CD2 3.71Å; V370-L452 HydrophobicContact CG2-CG 4.48Å; F405-L452 HydrophobicContact CB-CD2 4.28Å; F405-L452 HydrophobicContact CD2-CD1 4.48Å; F405-L452 HydrophobicContact CD2-CD2 3.83Å; F405-L452 HydrophobicContact CG-CD2 4.41Å; I415-L452 HydrophobicContact CD1-CB 3.83Å; I415-L452 HydrophobicContact CD1-CD1 4.48Å; I415-L452 HydrophobicContact CG2-CD1 4.41Å; L444-L452 HydrophobicContact CD2-CD1 4.48Å; L444-L452 HydrophobicContact CD2-CD2 4.38Å; L444-L452 HydrophobicContact CG-CD1 4.46Å; I445-L452 HydrophobicContact CG1-CD1 4.29Å; F448-L452 PolarHBondContact O-N 3.37Å; F448-L452 VanDerWaalsContact O-N 3.09Å; R449-L452 WeakPolarHBondContact O-CB 3.48Å; R449-L452 PolarHBondContact O-N 3.36Å; L452-A454 PolarHBondContact O-N 3.48Å; L452-R455 WeakPolarHBondContact O-CB 3.44Å; L452-R455 PolarHBondContact O-N 2.68Å; L452-F456 HydrophobicContact CB-CZ 4.26Å; L452-F456 HydrophobicContact CD2-CE1 4.46Å; L452-F456 HydrophobicContact CD2-CZ 4.37Å; L452-F456 WeakPolarHBondContact O-CD1 3.33Å; L452-F456 VanDerWaalsContact O-CG 3.24Å; L452-F456 WeakPolarHBondContact O-CG 3.41Å; L452-F456 PolarHBondContact O-N 2.96Å
453	E	97	Very high	93.6	Very high	49 Å²	49	55.4 Å²	55.4	23%	0.229	29%	0.287	C	S	.	.	H	α-helix	trans	-62.4	-41.4	180	-70.1	-172.5	-160.2	0	0	112.4	K412 I415 R449 R455 F456 A457	K412-E453 HydrophobicContact CD-CG 4.28Å; K412-E453 HydrophobicContact CG-CG 4.39Å; K412-E453 IonicContact NZ-OE2 3.38Å; K412-E453 PolarHBondContact NZ-OE2 3.15Å; I415-E453 HydrophobicContact CD1-CG 3.71Å; R449-E453 HydrophobicContact CG-CG 4.25Å; R449-E453 WeakPolarHBondContact CG-OE1 3.41Å; R449-E453 IonicContact NE-OE1 2.74Å; R449-E453 PolarHBondContact NE-OE1 3.49Å; R449-E453 WeakPolarHBondContact O-CG 3.46Å; R449-E453 PolarHBondContact O-N 3.16Å; E453-R455 VanDerWaalsContact C-N 3.33Å; E453-F456 PolarHBondContact O-N 3.28Å; E453-A457 WeakPolarHBondContact O-CB 3.43Å; E453-A457 PolarHBondContact O-N 3.18Å
454	A	95.8	Very high	92.1	Very high	62 Å²	62	63.1 Å²	63.1	51%	0.512	32%	0.323	S	S	.	.	H	α-helix	trans	-62.9	-40.7	175.9	0	0	0	0	0	111.8	P450 E451 L452 A457 K458	P450-A454 VanDerWaalsContact O-CB 3.27Å; P450-A454 WeakPolarHBondContact O-CB 3.36Å; P450-A454 PolarHBondContact O-N 3.44Å; E451-A454 PolarHBondContact O-N 3.33Å; L452-A454 PolarHBondContact O-N 3.48Å; A454-A457 PolarHBondContact O-N 3.28Å; A454-K458 WeakPolarHBondContact O-CB 3.49Å; A454-K458 PolarHBondContact O-N 3.15Å
455	R	96.6	Very high	90.3	Very high	51 Å²	51	68.4 Å²	68.4	19%	0.192	35%	0.347	C	S	.	.	H	α-helix	trans	-63.3	-42.1	176.6	-173.6	175.6	-65.6	-139.7	7.3	112.1	D368 F405 V406 E451 L452 E453 K458 Y459	D368-R455 IonicContact OD1-CZ 3.76Å; D368-R455 IonicContact OD1-NH1 2.83Å; D368-R455 PolarHBondContact OD1-NH1 2.87Å; D368-R455 IonicContact OD1-NH2 3.41Å; D368-R455 PolarHBondContact OD1-NH2 3.27Å; D368-R455 IonicContact OD2-CZ 3.98Å; D368-R455 IonicContact OD2-NH1 3.03Å; D368-R455 PolarHBondContact OD2-NH1 3.29Å; D368-R455 IonicContact OD2-NH2 2.8Å; D368-R455 PolarHBondContact OD2-NH2 2.87Å; F405-R455 WeakPolarHBondContact O-CD 3.31Å; V406-R455 PolarHBondContact O-NH1 3.35Å; E451-R455 WeakPolarHBondContact O-CB 3.46Å; E451-R455 PolarHBondContact O-N 3.01Å; E451-R455 IonicContact OE1-NH2 3.23Å; L452-R455 WeakPolarHBondContact O-CB 3.44Å; L452-R455 PolarHBondContact O-N 2.68Å; E453-R455 VanDerWaalsContact C-N 3.33Å; R455-K458 PolarHBondContact O-N 2.64Å; R455-Y459 PolarHBondContact O-N 2.97Å; R455-Y459 VanDerWaalsContact O-N 3.12Å
456	F	96	Very high	88.2	Confident	13 Å²	13	73 Å²	73	6%	0.057	38%	0.378	C	S	.	.	H	α-helix	trans	-68.3	-42	179.5	-59.9	-3.9	0	0	0	111	F405 A410 I415 L452 E453 K458 Y459 G460	F405-F456 HydrophobicContact CB-CE1 4.08Å; F405-F456 HydrophobicContact CB-CZ 4.2Å; F405-F456 AromaticContact CD1-CE1 3.95Å; F405-F456 HydrophobicContact CD1-CE1 3.95Å; F405-F456 HydrophobicContact CD1-CE2 4.35Å; F405-F456 AromaticContact CD1-CZ 3.44Å; F405-F456 HydrophobicContact CD1-CZ 3.44Å; F405-F456 VanDerWaalsContact CD1-CZ 3.44Å; F405-F456 AromaticContact CD2-CZ 3.88Å; F405-F456 HydrophobicContact CD2-CZ 3.88Å; F405-F456 HydrophobicContact CE1-CE2 4.11Å; F405-F456 AromaticContact CE1-CZ 3.6Å; F405-F456 HydrophobicContact CE1-CZ 3.6Å; F405-F456 HydrophobicContact CE2-CZ 4.01Å; F405-F456 AromaticContact CG-CE1 3.96Å; F405-F456 HydrophobicContact CG-CE1 3.96Å; F405-F456 AromaticContact CG-CZ 3.58Å; F405-F456 HydrophobicContact CG-CZ 3.58Å; F405-F456 HydrophobicContact CZ-CE2 4.28Å; F405-F456 AromaticContact CZ-CZ 3.88Å; F405-F456 HydrophobicContact CZ-CZ 3.88Å; A410-F456 HydrophobicContact CB-CD1 4.38Å; A410-F456 HydrophobicContact CB-CD2 4.25Å; A410-F456 HydrophobicContact CB-CE1 4.08Å; A410-F456 HydrophobicContact CB-CE2 3.89Å; A410-F456 HydrophobicContact CB-CZ 3.83Å; I415-F456 HydrophobicContact CD1-CD2 4.35Å; I415-F456 HydrophobicContact CD1-CE2 3.79Å; I415-F456 HydrophobicContact CD1-CZ 4.49Å; I415-F456 HydrophobicContact CG1-CE2 3.59Å; I415-F456 HydrophobicContact CG1-CZ 4.22Å; L452-F456 HydrophobicContact CB-CZ 4.26Å; L452-F456 HydrophobicContact CD2-CE1 4.46Å; L452-F456 HydrophobicContact CD2-CZ 4.37Å; L452-F456 WeakPolarHBondContact O-CD1 3.33Å; L452-F456 VanDerWaalsContact O-CG 3.24Å; L452-F456 WeakPolarHBondContact O-CG 3.41Å; L452-F456 PolarHBondContact O-N 2.96Å; E453-F456 PolarHBondContact O-N 3.28Å; F456-K458 PolarHBondContact O-N 3.06Å; F456-Y459 PolarHBondContact O-N 3.17Å; F456-G460 PolarHBondContact O-N 3.13Å
457	A	94	Very high	86.3	Confident	56 Å²	56	74.8 Å²	74.8	46%	0.463	40%	0.4	S	S	.	.	H	α-helix	trans	-61.1	-43.7	175.8	0	0	0	0	0	112.1	E453 A454 Y459 G460 I461	E453-A457 WeakPolarHBondContact O-CB 3.43Å; E453-A457 PolarHBondContact O-N 3.18Å; A454-A457 PolarHBondContact O-N 3.28Å; A457-Y459 PolarHBondContact O-N 2.74Å; A457-G460 PolarHBondContact O-N 3.31Å; A457-I461 WeakPolarHBondContact O-CG1 3.34Å; A457-I461 PolarHBondContact O-N 3.44Å; A457-I461 VanDerWaalsContact O-N 3.15Å
458	K	92.7	Very high	84.4	Confident	130 Å²	130	81.2 Å²	81.2	57%	0.565	43%	0.427	S	S	*	.	H	α-helix	trans	-59.6	-46.3	176.3	-178.7	177.4	172.3	-179.4	0	111.9	A454 R455 F456 G460 I461 E462	A454-K458 WeakPolarHBondContact O-CB 3.49Å; A454-K458 PolarHBondContact O-N 3.15Å; R455-K458 PolarHBondContact O-N 2.64Å; F456-K458 PolarHBondContact O-N 3.06Å; K458-G460 VanDerWaalsContact C-N 3.32Å; K458-G460 PolarHBondContact O-N 2.99Å; K458-I461 PolarHBondContact O-N 3.44Å; K458-E462 WeakPolarHBondContact CE-OE1 3.36Å; K458-E462 IonicContact NZ-OE1 3.78Å; K458-E462 WeakPolarHBondContact O-CG 3.32Å; K458-E462 PolarHBondContact O-N 3.32Å; K458-E462 VanDerWaalsContact O-N 3.13Å
459	Y	90.8	Very high	82.1	Confident	62 Å²	62	84.4 Å²	84.4	24%	0.243	46%	0.458	C	S	.	.	H	α-helix	trans	-61.9	-39.5	177.5	-174.1	-101.1	0	0	0	112.5	K407 G408 N409 R455 F456 A457 I461 E462 L463	K407-Y459 VanDerWaalsContact O-CD2 3.25Å; K407-Y459 WeakPolarHBondContact O-CD2 3.32Å; G408-Y459 WeakPolarHBondContact O-CB 3.28Å; G408-Y459 WeakPolarHBondContact O-CD1 3.5Å; N409-Y459 HydrophobicContact CB-CD1 4.12Å; N409-Y459 HydrophobicContact CB-CE1 3.49Å; N409-Y459 VanDerWaalsContact CB-CE1 3.49Å; N409-Y459 HydrophobicContact CB-CE2 4.39Å; R455-Y459 PolarHBondContact O-N 2.97Å; R455-Y459 VanDerWaalsContact O-N 3.12Å; F456-Y459 PolarHBondContact O-N 3.17Å; A457-Y459 PolarHBondContact O-N 2.74Å; Y459-I461 VanDerWaalsContact C-N 3.32Å; Y459-I461 PolarHBondContact O-N 3.27Å; Y459-E462 PolarHBondContact O-N 3.3Å; Y459-L463 HydrophobicContact CD1-CD1 3.76Å; Y459-L463 HydrophobicContact CD1-CG 4.25Å; Y459-L463 HydrophobicContact CE1-CD1 3.38Å; Y459-L463 HydrophobicContact CE1-CD2 4.37Å; Y459-L463 HydrophobicContact CE1-CG 3.9Å; Y459-L463 PolarHBondContact O-N 3.1Å
460	G	85.3	Confident	79.7	Confident	30 Å²	30	90.2 Å²	90.2	31%	0.309	49%	0.488	S	S	.	.	H	α-helix	trans	-61.2	-37.5	175.5	0	0	0	0	0	113.5	F456 A457 K458 H464	F456-G460 PolarHBondContact O-N 3.13Å; A457-G460 PolarHBondContact O-N 3.31Å; K458-G460 VanDerWaalsContact C-N 3.32Å; K458-G460 PolarHBondContact O-N 2.99Å; G460-H464 PolarHBondContact O-ND1 2.98Å
461	I	81.6	Confident	77.4	Confident	105 Å²	105	90.5 Å²	90.5	54%	0.538	49%	0.493	S	S	.	.	H	α-helix	trans	-66.6	-47.3	175.2	-65	164	0	0	0	110.5	A457 K458 Y459 L463 H464 E465	A457-I461 WeakPolarHBondContact O-CG1 3.34Å; A457-I461 PolarHBondContact O-N 3.44Å; A457-I461 VanDerWaalsContact O-N 3.15Å; K458-I461 PolarHBondContact O-N 3.44Å; Y459-I461 VanDerWaalsContact C-N 3.32Å; Y459-I461 PolarHBondContact O-N 3.27Å; I461-L463 VanDerWaalsContact C-N 3.25Å; I461-L463 PolarHBondContact O-N 3.24Å; I461-H464 PolarHBondContact O-N 3.43Å; I461-E465 PolarHBondContact O-N 3.49Å; I461-E465 VanDerWaalsContact O-N 3.08Å
462	E	81.6	Confident	75	Confident	106 Å²	106	92.5 Å²	92.5	50%	0.495	51%	0.513	S	S	.	.	H	α-helix	trans	-62.9	-30.2	-179.3	-70.3	174	-177.3	0	0	112.7	K458 Y459 H464	K458-E462 WeakPolarHBondContact CE-OE1 3.36Å; K458-E462 IonicContact NZ-OE1 3.78Å; K458-E462 WeakPolarHBondContact O-CG 3.32Å; K458-E462 PolarHBondContact O-N 3.32Å; K458-E462 VanDerWaalsContact O-N 3.13Å; Y459-E462 PolarHBondContact O-N 3.3Å; E462-H464 VanDerWaalsContact C-N 3.3Å; E462-H464 PolarHBondContact O-N 3.08Å
463	L	75.8	Confident	72.6	Confident	106 Å²	106	100.5 Å²	100.5	56%	0.555	55%	0.554	S	S	*	*	H	α-helix	trans	-70.2	-23.6	173	-78.8	173.9	0	0	0	113.9	Y459 I461	Y459-L463 HydrophobicContact CD1-CD1 3.76Å; Y459-L463 HydrophobicContact CD1-CG 4.25Å; Y459-L463 HydrophobicContact CE1-CD1 3.38Å; Y459-L463 HydrophobicContact CE1-CD2 4.37Å; Y459-L463 HydrophobicContact CE1-CG 3.9Å; Y459-L463 PolarHBondContact O-N 3.1Å; I461-L463 VanDerWaalsContact C-N 3.25Å; I461-L463 PolarHBondContact O-N 3.24Å
464	H	67.2	Low	70.8	Confident	163 Å²	163	103 Å²	103	76%	0.755	58%	0.575	S	S	*	*	H	α-helix	trans	-103.6	-8	-176.1	-69.7	26	0	0	0	112.8	G460 I461 E462	G460-H464 PolarHBondContact O-ND1 2.98Å; I461-H464 PolarHBondContact O-N 3.43Å; E462-H464 VanDerWaalsContact C-N 3.3Å; E462-H464 PolarHBondContact O-N 3.08Å
465	E	59.5	Low	68.9	Low	111 Å²	111	109.8 Å²	109.8	52%	0.519	62%	0.616	S	S	.	*	S	Bend	trans	-71.2	122.8	167.1	-76.1	-168.3	169.9	0	0	109.6	I461	I461-E465 PolarHBondContact O-N 3.49Å; I461-E465 VanDerWaalsContact O-N 3.08Å
466	P	53.9	Low	67.6	Low	105 Å²	105	112.8 Å²	112.8	68%	0.682	64%	0.637	S	S	*	*	P	Polyproline II helix	trans	-58.7	144.7	170.3	25.1	-31.5	0	0	0	108.7	K468	P466-K468 PolarHBondContact O-N 3.29Å
467	P	57.9	Low	66.1	Low	122 Å²	122	118 Å²	118	79%	0.792	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-51.9	122.8	178.3	20.7	-30.8	0	0	0	108.1	A469	P467-A469 PolarHBondContact O-N 3.02Å
468	K	58.4	Low	64.5	Low	181 Å²	181	121.4 Å²	121.4	79%	0.787	68%	0.679	S	S	*	*			trans	-53.8	108.1	173.7	-73.4	-178	-179.3	175.5	0	106.2	P466 E470	P466-K468 PolarHBondContact O-N 3.29Å; K468-E470 PolarHBondContact O-N 3.47Å; K468-E470 VanDerWaalsContact O-N 3.1Å
469	A	50	Low	62.8	Low	87 Å²	87	120.9 Å²	120.9	72%	0.719	69%	0.686	S	S	*	*			trans	-54.3	122	173.5	0	0	0	0	0	106.4	P467 S471	P467-A469 PolarHBondContact O-N 3.02Å; A469-S471 PolarHBondContact O-N 2.83Å
470	E	47.9	Very low	61.1	Low	201 Å²	201	124.6 Å²	124.6	94%	0.939	71%	0.713	S	S	*	*			trans	-58.9	91.7	169.2	-73.9	-179.3	162.1	0	0	107.4	K468 S472	K468-E470 PolarHBondContact O-N 3.47Å; K468-E470 VanDerWaalsContact O-N 3.1Å; E470-S472 PolarHBondContact O-N 3.45Å
471	S	49	Very low	59.5	Low	104 Å²	104	130.9 Å²	130.9	73%	0.727	74%	0.74	S	S	*	*			trans	-79.3	117.8	175.4	58.6	0	0	0	0	108.3	A469	A469-S471 PolarHBondContact O-N 2.83Å
472	S	46	Very low	57.9	Low	98 Å²	98	132.8 Å²	132.8	69%	0.685	76%	0.755	S	S	*	*			trans	81.9	97	160.7	70.5	0	0	0	0	118.2	E470	E470-S472 PolarHBondContact O-N 3.45Å
473	I	47.4	Very low	56.1	Low	168 Å²	168	134.8 Å²	134.8	86%	0.862	78%	0.775	S	S	*	*				-94	106.3	128.5	-57.8	173.9	0	0	0	105.9
474	P	58.7	Low	54.4	Low	103 Å²	103	137.3 Å²	137.3	67%	0.669	79%	0.793	S	S	*	*			trans	-79.4	138.6	157.7	2.8	16.7	0	0	0	108.7
475	C	57.3	Low	53.3	Low	204 Å²	204	134.9 Å²	134.9	100%	1.378	80%	0.796	S	S	*	*			trans	-51.7	0	166.5	-86.4	0	0	0	0	112.8

Retrieved 475 of 475 residues in 173.9 ms (Link to these results)

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