A0A077YXA9_TRITR 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 A0A077YXA9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 481 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.7	Very low	35.8	Very low	242 Å²	242	164.1 Å²	164.1	100%	1.192	84%	0.838	S	S	*	*				0	95.9	0	-68.3	173.2	-170.4	0	0	106.8
2	S	33	Very low	36.5	Very low	115 Å²	115	157.3 Å²	157.3	80%	0.804	84%	0.84	S	S	*	*				69.3	126.7	105.6	-160.4	0	0	0	0	111.5
3	C	31.9	Very low	36.6	Very low	108 Å²	108	162.1 Å²	162.1	73%	0.73	84%	0.839	S	S	*	*			cis	-170.6	126.1	27.7	-146.5	0	0	0	0	109.1
4	K	33.5	Very low	36.7	Very low	186 Å²	186	163.9 Å²	163.9	81%	0.809	84%	0.837	S	S	*	*				30.9	134.3	114	-78.9	-177	176.2	179.5	0	119.9
5	R	36.3	Very low	36.9	Very low	235 Å²	235	158.6 Å²	158.6	89%	0.887	84%	0.839	S	S	*	*			trans	-171	115.4	131.7	-97.7	169.1	-165.6	-151	3.3	108.1
6	L	37	Very low	36.5	Very low	131 Å²	131	156 Å²	156	69%	0.686	84%	0.836	S	S	*	*				62.9	134	72.9	-68	165.3	0	0	0	111.9
7	F	37	Very low	36.7	Very low	189 Å²	189	159.3 Å²	159.3	83%	0.829	84%	0.841	S	S	*	*			cis	-170.6	154.7	15.5	-118.9	-67.9	0	0	0	106.2
8	G	39.6	Very low	36.6	Very low	75 Å²	75	160.7 Å²	160.7	77%	0.773	84%	0.839	S	S	*	*				151.7	124.8	116.1	0	0	0	0	0	114.7
9	L	33.2	Very low	36.8	Very low	142 Å²	142	157.7 Å²	157.7	74%	0.743	84%	0.84	S	S	*	*			trans	-85.7	156.9	-179.7	-77.3	130.6	0	0	0	113.1
10	H	42.3	Very low	36.8	Very low	199 Å²	199	157.2 Å²	157.2	92%	0.921	84%	0.835	S	S	*	*			trans	-147.5	138.2	144.4	-110.3	41.5	0	0	0	113.3
11	H	36	Very low	36.9	Very low	183 Å²	183	156.1 Å²	156.1	85%	0.847	84%	0.835	S	S	*	*			trans	-84.4	155.8	-176.1	-83.1	-3.1	0	0	0	113.7
12	G	44.7	Very low	37.1	Very low	83 Å²	83	149.3 Å²	149.3	86%	0.856	81%	0.811	S	S	*	*			trans	-167.7	128.3	161.7	0	0	0	0	0	112.7
13	R	37.1	Very low	37	Very low	219 Å²	219	148.9 Å²	148.9	83%	0.826	81%	0.808	S	S	*	*			trans	-97.7	151	-160.9	-96.4	176.3	173.1	175.7	-0.3	114.8
14	K	37.8	Very low	37.3	Very low	188 Å²	188	150.8 Å²	150.8	82%	0.817	81%	0.81	S	S	*	*			trans	67.8	127	137.1	-68.8	179.9	178.1	-172.3	0	121.1
15	G	40	Very low	37.5	Very low	84 Å²	84	149.1 Å²	149.1	87%	0.866	81%	0.805	S	S	*	*			trans	-179.5	101.8	155.6	0	0	0	0	0	112.4
16	C	31.2	Very low	37.6	Very low	117 Å²	117	146.5 Å²	146.5	79%	0.791	80%	0.801	S	S	*	*			trans	-93	140	-177.5	-175.1	0	0	0	0	110.7
17	K	40.1	Very low	37.7	Very low	212 Å²	212	150 Å²	150	92%	0.922	81%	0.806	S	S	*	*			trans	-162.5	125.4	147.2	-105.9	173.2	-167.3	-172.2	0	111.3
18	K	34.4	Very low	37.9	Very low	185 Å²	185	145.3 Å²	145.3	80%	0.804	80%	0.802	S	S	*	*			trans	-70.2	144.9	178.1	-70.7	171.9	171	177.8	0	111.6
19	A	40.6	Very low	37.8	Very low	103 Å²	103	148 Å²	148	85%	0.851	80%	0.804	S	S	*	*			trans	-137.9	121.3	147.6	0	0	0	0	0	108.4
20	I	36.2	Very low	38.2	Very low	147 Å²	147	146 Å²	146	75%	0.754	81%	0.807	S	S	*	*			trans	-97	121.5	177.9	-69	165.7	0	0	0	106.2
21	V	39.9	Very low	38.1	Very low	136 Å²	136	141.1 Å²	141.1	82%	0.824	80%	0.796	S	S	*	*			trans	-146.3	118.9	155.9	-175.3	0	0	0	0	110.9
22	S	36.5	Very low	38.3	Very low	98 Å²	98	141.6 Å²	141.6	69%	0.685	80%	0.798	S	S	*	*			trans	37.7	113.8	158.1	80.2	0	0	0	0	122.1
23	S	31.9	Very low	38.2	Very low	107 Å²	107	146.1 Å²	146.1	75%	0.748	80%	0.798	S	S	*	*			trans	-55.1	126.3	154.4	48.7	0	0	0	0	114.2
24	L	38.3	Very low	38.4	Very low	147 Å²	147	143.9 Å²	143.9	77%	0.77	80%	0.796	S	S	*	*			trans	-130.7	96.2	151.2	-101.2	150.9	0	0	0	106.7	F26	L24-F26 HydrophobicContact CD2-CE2 4.38Å; L24-F26 PolarHBondContact O-N 3.07Å; L24-F26 VanDerWaalsContact O-N 3.12Å
25	Q	36.6	Very low	39	Very low	151 Å²	151	140.8 Å²	140.8	71%	0.706	80%	0.796	S	S	*	*			trans	-72	96.1	169.3	-85.4	162.1	-56.6	0	0	108.2	Y27	Q25-Y27 HydrophobicContact CB-CD2 4.39Å; Q25-Y27 HydrophobicContact CB-CE2 4.32Å; Q25-Y27 PolarHBondContact O-N 3.23Å
26	F	40.2	Very low	39.8	Very low	181 Å²	181	146.1 Å²	146.1	79%	0.794	80%	0.795	S	S	*	*			trans	-78.2	100.1	157.4	-93.2	-89.8	0	0	0	107.9	L24 A28	L24-F26 HydrophobicContact CD2-CE2 4.38Å; L24-F26 PolarHBondContact O-N 3.07Å; L24-F26 VanDerWaalsContact O-N 3.12Å; F26-A28 PolarHBondContact O-N 3.34Å
27	Y	39.1	Very low	41.3	Very low	203 Å²	203	150.6 Å²	150.6	80%	0.796	80%	0.801	S	S	*	*			trans	-65.1	90.5	158.7	-80.5	-91.7	0	0	0	107.6	Q25 T29	Q25-Y27 HydrophobicContact CB-CD2 4.39Å; Q25-Y27 HydrophobicContact CB-CE2 4.32Å; Q25-Y27 PolarHBondContact O-N 3.23Å; Y27-T29 PolarHBondContact O-N 2.86Å
28	A	39.9	Very low	42.8	Very low	91 Å²	91	147.5 Å²	147.5	75%	0.752	79%	0.79	S	S	*	*			trans	-71.9	107.8	165.3	0	0	0	0	0	107.3	F26 A30	F26-A28 PolarHBondContact O-N 3.34Å; A28-A30 PolarHBondContact O-N 3.37Å
29	T	38.9	Very low	45.2	Very low	133 Å²	133	143.3 Å²	143.3	82%	0.816	77%	0.772	S	S	*	*			trans	-55.4	107.8	166.7	47.5	0	0	0	0	108.4	Y27 S31	Y27-T29 PolarHBondContact O-N 2.86Å; T29-S31 PolarHBondContact O-N 3.24Å
30	A	41.3	Very low	47.2	Very low	98 Å²	98	143.9 Å²	143.9	81%	0.81	77%	0.765	S	S	*	*			trans	-64.7	102.5	164.4	0	0	0	0	0	106.9	A28 E32	A28-A30 PolarHBondContact O-N 3.37Å; A30-E32 PolarHBondContact O-N 3.34Å
31	S	40.3	Very low	49.7	Very low	97 Å²	97	141.5 Å²	141.5	68%	0.678	76%	0.757	S	S	*	*			trans	-61.9	117.1	168	58.3	0	0	0	0	107.7	T29 Q33	T29-S31 PolarHBondContact O-N 3.24Å; S31-Q33 PolarHBondContact O-N 3.19Å
32	E	39.8	Very low	52.3	Low	193 Å²	193	135.5 Å²	135.5	90%	0.902	72%	0.72	S	S	*	*			trans	-55.7	101.7	164.1	-75	178.3	157.3	0	0	107.9	A30 Q34	A30-E32 PolarHBondContact O-N 3.34Å; E32-Q34 PolarHBondContact O-N 3.06Å
33	Q	43.1	Very low	54.8	Low	179 Å²	179	131.4 Å²	131.4	84%	0.836	69%	0.693	S	S	*	*			trans	-66.5	108	168.5	-77.4	-178.2	-12.4	0	0	106.7	S31	S31-Q33 PolarHBondContact O-N 3.19Å
34	Q	40.8	Very low	57.7	Low	171 Å²	171	130.1 Å²	130.1	80%	0.799	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-48	132.8	168.8	-74.8	-175.8	-19.8	0	0	108.8	E32 K36	E32-Q34 PolarHBondContact O-N 3.06Å; Q34-K36 PolarHBondContact O-N 2.89Å
35	P	49.4	Very low	60.5	Low	124 Å²	124	123.5 Å²	123.5	81%	0.805	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-56.2	116.1	177.3	20.9	-29.8	0	0	0	108.1	K37	P35-K37 PolarHBondContact O-N 3.19Å; P35-K37 VanDerWaalsContact O-N 3.11Å
36	K	58.3	Low	63.4	Low	195 Å²	195	122.4 Å²	122.4	85%	0.848	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-52.8	122.9	175.5	-77.5	-177.8	177.2	178.1	0	107.2	Q34 Q38	Q34-K36 PolarHBondContact O-N 2.89Å; K36-Q38 PolarHBondContact O-N 2.87Å
37	K	61.4	Low	66.2	Low	211 Å²	211	119.7 Å²	119.7	92%	0.917	63%	0.634	S	S	*	*			trans	-51.5	110.6	173.4	-75.4	-175.4	178.2	-179.3	0	107.9	P35	P35-K37 PolarHBondContact O-N 3.19Å; P35-K37 VanDerWaalsContact O-N 3.11Å
38	Q	72.7	Confident	68.9	Low	147 Å²	147	116.1 Å²	116.1	69%	0.687	63%	0.625	S	S	*	*			trans	-69.5	133.8	178.4	-72.1	-177.5	-12.8	0	0	108.6	K36 T40	K36-Q38 PolarHBondContact O-N 2.87Å; Q38-T40 PolarHBondContact O-N 3.41Å
39	K	83.8	Confident	71.7	Confident	98 Å²	98	112.9 Å²	112.9	43%	0.426	60%	0.595	S	S	.	*			trans	-58.8	128.4	172	-177.2	175.8	175.3	-176.4	0	108.2	T41 F42 E301	K39-T41 WeakPolarHBondContact CE-O 2.81Å; K39-T41 WeakPolarHBondContact CG-O 3.11Å; K39-F42 HydrophobicContact CB-CE1 4.11Å; K39-F42 HydrophobicContact CB-CZ 4.46Å; K39-F42 HydrophobicContact CD-CD1 4.09Å; K39-F42 HydrophobicContact CD-CE1 4.03Å; K39-F42 HydrophobicContact CG-CD1 4.24Å; K39-F42 HydrophobicContact CG-CE1 3.9Å; K39-F42 HydrophobicContact CG-CZ 4.45Å; K39-F42 WeakPolarHBondContact O-CZ 3.4Å; K39-E301 IonicContact NZ-OE1 3.1Å; K39-E301 PolarHBondContact NZ-OE1 3.49Å; K39-E301 IonicContact NZ-OE2 3.44Å; K39-E301 PolarHBondContact NZ-OE2 3.08Å
40	T	83.3	Confident	74.6	Confident	115 Å²	115	108.7 Å²	108.7	71%	0.706	56%	0.564	S	S	*	*			trans	-108.9	-16.3	-177.4	53.5	0	0	0	0	113.7	Q38	Q38-T40 PolarHBondContact O-N 3.41Å
41	T	89.1	Confident	77.3	Confident	97 Å²	97	104.2 Å²	104.2	60%	0.595	53%	0.526	S	S	*	.			trans	-118.9	130.1	180	-53.5	0	0	0	0	108.3	K39	K39-T41 WeakPolarHBondContact CE-O 2.81Å; K39-T41 WeakPolarHBondContact CG-O 3.11Å
42	F	93.4	Very high	80.1	Confident	9 Å²	9	99.9 Å²	99.9	4%	0.039	50%	0.495	C	S	.	.			trans	-126	137.6	-173.6	-55.5	-80.6	0	0	0	109.8	K39 G276 R277 M346	K39-F42 HydrophobicContact CB-CE1 4.11Å; K39-F42 HydrophobicContact CB-CZ 4.46Å; K39-F42 HydrophobicContact CD-CD1 4.09Å; K39-F42 HydrophobicContact CD-CE1 4.03Å; K39-F42 HydrophobicContact CG-CD1 4.24Å; K39-F42 HydrophobicContact CG-CE1 3.9Å; K39-F42 HydrophobicContact CG-CZ 4.45Å; K39-F42 WeakPolarHBondContact O-CZ 3.4Å; F42-G276 VanDerWaalsContact CE1-C 3.42Å; F42-G276 WeakPolarHBondContact CE1-O 3.11Å; F42-R277 HydrophobicContact CD2-CG 4.26Å; F42-R277 HydrophobicContact CE1-CG 4.01Å; F42-R277 HydrophobicContact CE2-CG 3.42Å; F42-R277 VanDerWaalsContact CE2-CG 3.42Å; F42-R277 HydrophobicContact CZ-CB 4.32Å; F42-R277 HydrophobicContact CZ-CG 3.27Å; F42-M346 HydrophobicContact CD2-SD 4.49Å
43	G	88.8	Confident	82.8	Confident	12 Å²	12	93.9 Å²	93.9	12%	0.124	47%	0.472	C	S	.	.			trans	74.6	166.2	-163.6	0	0	0	0	0	112.8	E301	G43-E301 PolarHBondContact N-OE2 2.77Å
44	P	93.3	Very high	85.5	Confident	80 Å²	80	85.4 Å²	85.4	52%	0.519	43%	0.433	S	S	.	.	P	Polyproline II helix	cis	-70.2	143	-16.5	26.7	-30.5	0	0	0	112.6
45	L	97.3	Very high	88.2	Confident	9 Å²	9	77.7 Å²	77.7	5%	0.047	40%	0.397	C	S	.	.	P	Polyproline II helix	trans	-73.8	132.3	171.3	-172.5	70.2	0	0	0	109.8	D49 R50 F275 T283 E299 E300	L45-D49 HydrophobicContact CD1-CB 3.58Å; L45-D49 HydrophobicContact CG-CB 4.1Å; L45-R50 HydrophobicContact CD2-CG 3.93Å; L45-R50 HydrophobicContact CG-CG 4.44Å; L45-R50 PolarHBondContact O-NH2 3.08Å; L45-F275 HydrophobicContact CD1-CD1 3.92Å; L45-F275 HydrophobicContact CD1-CE1 3.59Å; L45-F275 HydrophobicContact CD1-CZ 4.03Å; L45-T283 HydrophobicContact CD1-CG2 3.96Å; L45-T283 HydrophobicContact CD2-CG2 3.55Å; L45-T283 HydrophobicContact CG-CG2 4.44Å; L45-E299 HydrophobicContact CD2-CG 4.3Å; L45-E300 WeakPolarHBondContact CA-OE1 3.47Å; L45-E300 WeakPolarHBondContact CB-OE1 3.43Å; L45-E300 PolarHBondContact N-OE1 2.88Å
46	K	97.5	Very high	90.5	Very high	127 Å²	127	77.8 Å²	77.8	55%	0.552	38%	0.382	S	S	*	.	P	Polyproline II helix	trans	-71.9	150.6	174.1	-60.6	179	-178.9	177.5	0	110.6	E48 D49 R50	K46-E48 VanDerWaalsContact C-N 3.25Å; K46-E48 HydrophobicContact CB-CG 4Å; K46-E48 HydrophobicContact CD-CG 4.3Å; K46-E48 WeakPolarHBondContact CD-OE1 3.26Å; K46-E48 IonicContact NZ-OE1 3.72Å; K46-E48 PolarHBondContact NZ-OE1 3.39Å; K46-E48 PolarHBondContact O-N 2.81Å; K46-D49 PolarHBondContact O-N 3.1Å; K46-R50 PolarHBondContact O-N 2.83Å
47	D	98	Very high	92.4	Very high	124 Å²	124	70 Å²	70	66%	0.663	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-62	-32.3	179.5	-67.5	-24.1	0	0	0	113.2	D49 R50	D47-D49 PolarHBondContact O-N 3.45Å; D47-R50 WeakPolarHBondContact O-CB 3.49Å; D47-R50 PolarHBondContact O-N 3.21Å; D47-R50 IonicContact OD1-CZ 2.73Å; D47-R50 IonicContact OD1-NE 2.92Å; D47-R50 PolarHBondContact OD1-NE 3.07Å; D47-R50 IonicContact OD1-NH2 2.97Å
48	E	97.5	Very high	94.2	Very high	129 Å²	129	70.2 Å²	70.2	60%	0.603	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-67.5	-17.4	174.2	67.9	-174.5	177.2	0	0	113.7	K46 R267	K46-E48 VanDerWaalsContact C-N 3.25Å; K46-E48 HydrophobicContact CB-CG 4Å; K46-E48 HydrophobicContact CD-CG 4.3Å; K46-E48 WeakPolarHBondContact CD-OE1 3.26Å; K46-E48 IonicContact NZ-OE1 3.72Å; K46-E48 PolarHBondContact NZ-OE1 3.39Å; K46-E48 PolarHBondContact O-N 2.81Å; E48-R267 PolarHBondContact O-NH1 3.19Å
49	D	98.2	Very high	95.4	Very high	22 Å²	22	68.9 Å²	68.9	12%	0.118	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-97.6	-4.3	178.8	-69.6	-44.2	0	0	0	113	L45 K46 D47 R267 W271 F275	L45-D49 HydrophobicContact CD1-CB 3.58Å; L45-D49 HydrophobicContact CG-CB 4.1Å; K46-D49 PolarHBondContact O-N 3.1Å; D47-D49 PolarHBondContact O-N 3.45Å; D49-R267 IonicContact OD1-CZ 3.99Å; D49-R267 IonicContact OD1-NH1 3.34Å; D49-R267 IonicContact OD1-NH2 2.66Å; D49-R267 PolarHBondContact OD1-NH2 2.86Å; D49-W271 HydrophobicContact CB-CZ2 4.23Å; D49-W271 WeakPolarHBondContact O-CZ2 3.24Å; D49-W271 PolarHBondContact OD1-NE1 3.34Å; D49-W271 VanDerWaalsContact OD1-NE1 3.11Å; D49-F275 HydrophobicContact CB-CE1 4.29Å; D49-F275 HydrophobicContact CB-CZ 3.72Å
50	R	98.5	Very high	96	Very high	46 Å²	46	67.5 Å²	67.5	17%	0.174	34%	0.343	C	S	.	.			trans	-72.1	132.7	174.3	-61.8	-178.3	-173.3	-66	-3.7	110.5	L45 K46 D47 T53 E299 E300	L45-R50 HydrophobicContact CD2-CG 3.93Å; L45-R50 HydrophobicContact CG-CG 4.44Å; L45-R50 PolarHBondContact O-NH2 3.08Å; K46-R50 PolarHBondContact O-N 2.83Å; D47-R50 WeakPolarHBondContact O-CB 3.49Å; D47-R50 PolarHBondContact O-N 3.21Å; D47-R50 IonicContact OD1-CZ 2.73Å; D47-R50 IonicContact OD1-NE 2.92Å; D47-R50 PolarHBondContact OD1-NE 3.07Å; D47-R50 IonicContact OD1-NH2 2.97Å; R50-T53 WeakPolarHBondContact O-CG2 3.42Å; R50-E299 WeakPolarHBondContact CA-OE2 3.4Å; R50-E299 WeakPolarHBondContact CB-OE2 3.28Å; R50-E299 PolarHBondContact NH1-O 2.87Å; R50-E300 IonicContact NH1-OE2 2.82Å; R50-E300 IonicContact NH2-OE2 3.71Å; R50-E300 PolarHBondContact NH2-OE2 3.3Å
51	I	98.7	Very high	96.8	Very high	3 Å²	3	64.2 Å²	64.2	2%	0.015	32%	0.317	C	S	.	.	S	Bend	trans	-83.5	-38.1	177.7	-62.2	179.2	0	0	0	110.6	T53 K147 V260 T263 W271 F272 E299	I51-T53 PolarHBondContact O-N 2.93Å; I51-K147 HydrophobicContact CG2-CD 4.15Å; I51-K147 WeakPolarHBondContact O-CE 3.31Å; I51-K147 PolarHBondContact O-NZ 3.38Å; I51-K147 VanDerWaalsContact O-NZ 3.12Å; I51-V260 HydrophobicContact CD1-CB 4.02Å; I51-V260 HydrophobicContact CD1-CG1 3.87Å; I51-V260 HydrophobicContact CG2-CB 4.45Å; I51-V260 HydrophobicContact CG2-CG1 4.13Å; I51-T263 HydrophobicContact CG1-CG2 4.06Å; I51-T263 HydrophobicContact CG2-CG2 4.19Å; I51-W271 HydrophobicContact CD1-CH2 4.1Å; I51-W271 HydrophobicContact CD1-CZ3 4.16Å; I51-W271 HydrophobicContact CG1-CH2 3.8Å; I51-W271 HydrophobicContact CG1-CZ3 4.28Å; I51-F272 HydrophobicContact CD1-CD2 3.87Å; I51-F272 HydrophobicContact CD1-CE2 3.63Å; I51-E299 WeakPolarHBondContact CB-OE1 3.04Å; I51-E299 VanDerWaalsContact N-CD 3.3Å; I51-E299 PolarHBondContact N-OE1 3.04Å; I51-E299 PolarHBondContact N-OE2 3.47Å
52	F	98.6	Very high	97.2	Very high	6 Å²	6	63.7 Å²	63.7	3%	0.026	31%	0.307	C	S	.	.			trans	-95.5	68.4	-176.1	-60.2	-73.5	0	0	0	110.6	N54 L55 I140 K147 E256 A259 V260 L285 E299	F52-N54 VanDerWaalsContact C-N 3.29Å; F52-N54 PolarHBondContact O-N 3Å; F52-L55 HydrophobicContact CB-CB 4.35Å; F52-L55 HydrophobicContact CB-CD1 4.21Å; F52-L55 WeakPolarHBondContact O-CB 3.49Å; F52-L55 PolarHBondContact O-N 3.17Å; F52-L55 VanDerWaalsContact O-N 3.15Å; F52-I140 HydrophobicContact CD1-CD1 4.16Å; F52-I140 HydrophobicContact CD1-CG1 3.82Å; F52-I140 HydrophobicContact CE1-CD1 3.47Å; F52-I140 VanDerWaalsContact CE1-CD1 3.47Å; F52-I140 HydrophobicContact CE1-CG1 3.62Å; F52-I140 HydrophobicContact CE1-CG2 4.3Å; F52-I140 HydrophobicContact CE2-CD1 4.46Å; F52-I140 HydrophobicContact CZ-CD1 3.65Å; F52-I140 HydrophobicContact CZ-CG1 4.25Å; F52-K147 HydrophobicContact CD1-CD 3.93Å; F52-K147 HydrophobicContact CE1-CD 4.06Å; F52-E256 HydrophobicContact CE2-CG 4.03Å; F52-E256 HydrophobicContact CZ-CG 3.97Å; F52-A259 HydrophobicContact CE1-CB 3.74Å; F52-A259 HydrophobicContact CZ-CB 4.17Å; F52-V260 HydrophobicContact CE2-CG1 3.69Å; F52-V260 HydrophobicContact CZ-CG1 3.58Å; F52-L285 HydrophobicContact CB-CD2 4.47Å; F52-L285 HydrophobicContact CD2-CD1 3.74Å; F52-L285 HydrophobicContact CD2-CD2 3.87Å; F52-L285 HydrophobicContact CD2-CG 3.78Å; F52-L285 HydrophobicContact CE2-CD1 3.73Å; F52-L285 HydrophobicContact CE2-CG 3.93Å; F52-L285 HydrophobicContact CG-CD1 4.2Å; F52-L285 HydrophobicContact CG-CD2 4.39Å; F52-L285 HydrophobicContact CZ-CD1 4.19Å; F52-E299 HydrophobicContact CD2-CG 4.47Å; F52-E299 PolarHBondContact N-OE2 3.03Å
53	T	98.2	Very high	97.5	Very high	68 Å²	68	64.4 Å²	64.4	42%	0.417	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-20.4	-169.1	49.9	0	0	0	0	115	R50 I51 R69	R50-T53 WeakPolarHBondContact O-CG2 3.42Å; I51-T53 PolarHBondContact O-N 2.93Å; T53-R69 WeakPolarHBondContact OG1-CD 3.43Å
54	N	98.3	Very high	97.9	Very high	1 Å²	1	72 Å²	72	1%	0.005	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.1	29.1	173.7	-165.1	32.9	0	0	0	112.3	F52 Y56 G57 R58 H59 H143 D144	F52-N54 VanDerWaalsContact C-N 3.29Å; F52-N54 PolarHBondContact O-N 3Å; N54-Y56 PolarHBondContact O-N 2.97Å; N54-G57 PolarHBondContact O-N 3.25Å; N54-R58 PolarHBondContact OD1-N 2.9Å; N54-R58 VanDerWaalsContact OD1-N 3.07Å; N54-H59 PolarHBondContact ND2-O 3.06Å; N54-H59 WeakPolarHBondContact OD1-CB 3.39Å; N54-H59 PolarHBondContact OD1-N 3.18Å; N54-H59 PolarHBondContact OD1-O 3.38Å; N54-H143 PolarHBondContact ND2-O 3.46Å; N54-H143 WeakPolarHBondContact O-CB 3.46Å; N54-D144 WeakPolarHBondContact CA-OD2 3.35Å; N54-D144 VanDerWaalsContact CB-OD1 3.25Å; N54-D144 WeakPolarHBondContact CB-OD1 3.41Å; N54-D144 WeakPolarHBondContact CB-OD2 3.31Å; N54-D144 PolarHBondContact N-OD2 3.47Å
55	L	98.3	Very high	98.2	Very high	8 Å²	8	68.5 Å²	68.5	4%	0.042	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.5	-30.9	-177.8	-171.8	68.8	0	0	0	114	F52 E139 H143 L285 T297	F52-L55 HydrophobicContact CB-CB 4.35Å; F52-L55 HydrophobicContact CB-CD1 4.21Å; F52-L55 WeakPolarHBondContact O-CB 3.49Å; F52-L55 PolarHBondContact O-N 3.17Å; F52-L55 VanDerWaalsContact O-N 3.15Å; L55-E139 HydrophobicContact CD1-CB 3.48Å; L55-E139 VanDerWaalsContact CD1-CB 3.48Å; L55-E139 HydrophobicContact CD1-CG 4.08Å; L55-E139 HydrophobicContact CG-CB 4.3Å; L55-H143 PolarHBondContact O-ND1 3.41Å; L55-L285 HydrophobicContact CD1-CD1 4.29Å; L55-L285 HydrophobicContact CD1-CD2 3.67Å; L55-L285 HydrophobicContact CD2-CD2 3.64Å; L55-L285 HydrophobicContact CG-CD2 4.32Å; L55-T297 HydrophobicContact CD2-CG2 4.36Å
56	Y	98.3	Very high	98.2	Very high	126 Å²	126	68.1 Å²	68.1	49%	0.494	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	6.9	-178	-56.6	-52.5	0	0	0	115	N54 R58 T297	N54-Y56 PolarHBondContact O-N 2.97Å; Y56-R58 PolarHBondContact O-N 3.4Å; Y56-T297 WeakPolarHBondContact CE1-O 3.48Å; Y56-T297 PolarHBondContact OH-O 2.91Å
57	G	97.9	Very high	98.3	Very high	31 Å²	31	66.5 Å²	66.5	32%	0.32	31%	0.314	S	S	.	.	S	Bend	trans	62.8	26.8	177.5	0	0	0	0	0	114.3	N54 H143	N54-G57 PolarHBondContact O-N 3.25Å; G57-H143 VanDerWaalsContact CA-CD2 3.46Å; G57-H143 WeakPolarHBondContact CA-CD2 3.5Å; G57-H143 VanDerWaalsContact CA-CG 3.5Å; G57-H143 PolarHBondContact N-ND1 3.35Å
58	R	98	Very high	98.3	Very high	216 Å²	216	65.4 Å²	65.4	82%	0.815	32%	0.316	S	S	*	.			trans	-79.5	-21.5	-178.5	-60.1	-57.2	-173	109.8	1.3	112.9	N54 Y56	N54-R58 PolarHBondContact OD1-N 2.9Å; N54-R58 VanDerWaalsContact OD1-N 3.07Å; Y56-R58 PolarHBondContact O-N 3.4Å
59	H	97.8	Very high	98.3	Very high	120 Å²	120	61.6 Å²	61.6	56%	0.556	30%	0.296	S	S	*	.	S	Bend	trans	-113.9	166.9	176.9	-53.8	84.9	0	0	0	110	N54 W61	N54-H59 PolarHBondContact ND2-O 3.06Å; N54-H59 WeakPolarHBondContact OD1-CB 3.39Å; N54-H59 PolarHBondContact OD1-N 3.18Å; N54-H59 PolarHBondContact OD1-O 3.38Å; H59-W61 PolarHBondContact O-N 3.36Å
60	D	98.2	Very high	98.3	Very high	68 Å²	68	61.8 Å²	61.8	36%	0.364	30%	0.304	S	S	.	.			trans	-60.4	119.9	178.4	-178.4	17.5	0	0	0	111.4	K62 G65 R69	D60-K62 VanDerWaalsContact C-N 3.31Å; D60-K62 VanDerWaalsContact OD1-CB 3.31Å; D60-K62 WeakPolarHBondContact OD1-CB 3.44Å; D60-K62 WeakPolarHBondContact OD1-CG 3.47Å; D60-K62 PolarHBondContact OD1-N 3.31Å; D60-K62 VanDerWaalsContact OD1-N 3.07Å; D60-G65 WeakPolarHBondContact O-CA 3.43Å; D60-R69 PolarHBondContact O-NH1 3.47Å; D60-R69 PolarHBondContact O-NH2 2.87Å
61	W	98.4	Very high	98.3	Very high	47 Å²	47	59.7 Å²	59.7	18%	0.178	30%	0.296	C	S	.	.			trans	-80.3	-13.6	-179.2	62.3	-96.6	0	0	0	112.9	H59 H143 P145 N178 M181 A182	H59-W61 PolarHBondContact O-N 3.36Å; W61-H143 WeakPolarHBondContact CB-O 3.5Å; W61-P145 HydrophobicContact CE3-CG 3.58Å; W61-P145 HydrophobicContact CZ3-CG 4.09Å; W61-N178 HydrophobicContact CH2-CB 4.04Å; W61-N178 HydrophobicContact CZ2-CB 4.36Å; W61-N178 HydrophobicContact CZ3-CB 4.12Å; W61-N178 WeakPolarHBondContact CZ3-O 3.41Å; W61-M181 HydrophobicContact CH2-CB 3.9Å; W61-M181 HydrophobicContact CH2-CE 3.58Å; W61-M181 HydrophobicContact CH2-SD 4.23Å; W61-M181 HydrophobicContact CZ2-CE 3.81Å; W61-M181 HydrophobicContact CZ3-CB 4.39Å; W61-A182 HydrophobicContact CZ3-CB 4.37Å
62	K	98.5	Very high	98.3	Very high	86 Å²	86	60.4 Å²	60.4	37%	0.374	30%	0.298	S	S	.	.	S	Bend	trans	-72.1	174.4	178.7	-62.4	-178	175.4	-169.4	0	112.7	D60 K64 G65 A66 E185	D60-K62 VanDerWaalsContact C-N 3.31Å; D60-K62 VanDerWaalsContact OD1-CB 3.31Å; D60-K62 WeakPolarHBondContact OD1-CB 3.44Å; D60-K62 WeakPolarHBondContact OD1-CG 3.47Å; D60-K62 PolarHBondContact OD1-N 3.31Å; D60-K62 VanDerWaalsContact OD1-N 3.07Å; K62-K64 VanDerWaalsContact C-N 3.31Å; K62-K64 PolarHBondContact O-N 3.34Å; K62-G65 PolarHBondContact O-N 3.15Å; K62-G65 VanDerWaalsContact O-N 3.08Å; K62-A66 PolarHBondContact O-N 3.02Å; K62-E185 WeakPolarHBondContact CB-OE2 3.43Å
63	L	98.5	Very high	98.3	Very high	24 Å²	24	66.6 Å²	66.6	13%	0.126	32%	0.322	C	S	.	.	H	α-helix	trans	-53.5	-43.2	-174.7	-177.9	59.2	0	0	0	113.2	G65 A66 L67 H146 E185 A189 L191	L63-G65 VanDerWaalsContact C-N 3.35Å; L63-G65 PolarHBondContact O-N 3.1Å; L63-A66 PolarHBondContact O-N 3.42Å; L63-L67 HydrophobicContact CD1-CD1 4.25Å; L63-L67 HydrophobicContact CD1-CD2 4.37Å; L63-L67 HydrophobicContact CD1-CG 4.01Å; L63-L67 HydrophobicContact CG-CD1 4.06Å; L63-L67 HydrophobicContact CG-CG 4.29Å; L63-L67 WeakPolarHBondContact O-CB 3.2Å; L63-L67 VanDerWaalsContact O-CG 3.26Å; L63-L67 WeakPolarHBondContact O-CG 3.31Å; L63-L67 PolarHBondContact O-N 3.08Å; L63-H146 WeakPolarHBondContact CA-NE2 3.36Å; L63-H146 PolarHBondContact N-CD2 2.66Å; L63-H146 PolarHBondContact N-NE2 2.62Å; L63-H146 VanDerWaalsContact N-NE2 3.1Å; L63-E185 HydrophobicContact CB-CB 4.14Å; L63-E185 WeakPolarHBondContact CB-OE2 3.5Å; L63-E185 HydrophobicContact CD2-CB 4.41Å; L63-E185 PolarHBondContact N-OE2 3.35Å; L63-A189 HydrophobicContact CD2-CB 3.72Å; L63-L191 HydrophobicContact CD1-CD1 3.68Å; L63-L191 HydrophobicContact CD2-CD1 4.23Å
64	K	98.2	Very high	98.3	Very high	172 Å²	172	68.5 Å²	68.5	75%	0.748	33%	0.325	S	S	*	.	H	α-helix	trans	-59.3	-45.3	179.7	-176	-179.5	177.6	-178.2	0	111.9	K62 S68	K62-K64 VanDerWaalsContact C-N 3.31Å; K62-K64 PolarHBondContact O-N 3.34Å; K64-S68 PolarHBondContact O-N 3.47Å
65	G	98.4	Very high	98.3	Very high	6 Å²	6	68.6 Å²	68.6	6%	0.062	33%	0.325	C	S	.	.	H	α-helix	trans	-69.9	-38.1	175.2	0	0	0	0	0	112.6	D60 K62 L63 L67 S68 R69	D60-G65 WeakPolarHBondContact O-CA 3.43Å; K62-G65 PolarHBondContact O-N 3.15Å; K62-G65 VanDerWaalsContact O-N 3.08Å; L63-G65 VanDerWaalsContact C-N 3.35Å; L63-G65 PolarHBondContact O-N 3.1Å; G65-L67 PolarHBondContact O-N 3.19Å; G65-S68 PolarHBondContact O-N 3.16Å; G65-S68 PolarHBondContact O-OG 2.94Å; G65-R69 WeakPolarHBondContact O-CG 3.28Å; G65-R69 PolarHBondContact O-N 3.21Å; G65-R69 PolarHBondContact O-NH1 3.4Å
66	A	98.6	Very high	98.3	Very high	0 Å²	0	72.5 Å²	72.5	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-61.1	-44.8	177.3	0	0	0	0	0	111.6	K62 L63 S68 R69 G70 D71 H146	K62-A66 PolarHBondContact O-N 3.02Å; L63-A66 PolarHBondContact O-N 3.42Å; A66-S68 VanDerWaalsContact C-N 3.31Å; A66-S68 PolarHBondContact O-N 3.37Å; A66-R69 PolarHBondContact O-N 2.93Å; A66-R69 VanDerWaalsContact O-N 3.07Å; A66-G70 PolarHBondContact O-N 2.83Å; A66-D71 HydrophobicContact CB-CB 4.04Å; A66-D71 WeakPolarHBondContact O-CB 3.35Å; A66-D71 PolarHBondContact O-N 2.74Å; A66-H146 HydrophobicContact CB-CB 3.49Å; A66-H146 VanDerWaalsContact CB-CB 3.49Å
67	L	98.4	Very high	98.3	Very high	93 Å²	93	71.1 Å²	71.1	49%	0.487	34%	0.34	S	S	.	.	H	α-helix	trans	-59.7	-39	175.4	-69.2	172	0	0	0	112.1	L63 G65 R69 G70 W72	L63-L67 HydrophobicContact CD1-CD1 4.25Å; L63-L67 HydrophobicContact CD1-CD2 4.37Å; L63-L67 HydrophobicContact CD1-CG 4.01Å; L63-L67 HydrophobicContact CG-CD1 4.06Å; L63-L67 HydrophobicContact CG-CG 4.29Å; L63-L67 WeakPolarHBondContact O-CB 3.2Å; L63-L67 VanDerWaalsContact O-CG 3.26Å; L63-L67 WeakPolarHBondContact O-CG 3.31Å; L63-L67 PolarHBondContact O-N 3.08Å; G65-L67 PolarHBondContact O-N 3.19Å; L67-R69 PolarHBondContact O-N 3.23Å; L67-G70 PolarHBondContact O-N 3.28Å; L67-W72 HydrophobicContact CD2-CB 3.95Å
68	S	98	Very high	98.3	Very high	102 Å²	102	70 Å²	70	71%	0.713	33%	0.327	S	S	*	.	H	α-helix	trans	-70.2	-19.3	177.7	74.3	0	0	0	0	113.7	K64 G65 A66	K64-S68 PolarHBondContact O-N 3.47Å; G65-S68 PolarHBondContact O-N 3.16Å; G65-S68 PolarHBondContact O-OG 2.94Å; A66-S68 VanDerWaalsContact C-N 3.31Å; A66-S68 PolarHBondContact O-N 3.37Å
69	R	98.1	Very high	98.3	Very high	48 Å²	48	60.5 Å²	60.5	18%	0.181	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92	0.9	174.3	-64.4	-172.5	-58.1	-84.3	11.2	113.5	T53 D60 G65 A66 L67 D144	T53-R69 WeakPolarHBondContact OG1-CD 3.43Å; D60-R69 PolarHBondContact O-NH1 3.47Å; D60-R69 PolarHBondContact O-NH2 2.87Å; G65-R69 WeakPolarHBondContact O-CG 3.28Å; G65-R69 PolarHBondContact O-N 3.21Å; G65-R69 PolarHBondContact O-NH1 3.4Å; A66-R69 PolarHBondContact O-N 2.93Å; A66-R69 VanDerWaalsContact O-N 3.07Å; L67-R69 PolarHBondContact O-N 3.23Å; R69-D144 IonicContact CZ-OD1 3.75Å; R69-D144 IonicContact NE-OD1 3.84Å; R69-D144 PolarHBondContact NE-OD1 3.07Å; R69-D144 IonicContact NH2-OD1 3.19Å; R69-D144 PolarHBondContact NH2-OD1 3.23Å
70	G	97.9	Very high	98.4	Very high	27 Å²	27	59.9 Å²	59.9	28%	0.278	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.8	12.8	179.3	0	0	0	0	0	114.9	A66 L67 Y73 R266	A66-G70 PolarHBondContact O-N 2.83Å; L67-G70 PolarHBondContact O-N 3.28Å; G70-Y73 WeakPolarHBondContact O-CB 3.45Å; G70-R266 PolarHBondContact O-NE 2.97Å; G70-R266 PolarHBondContact O-NH2 3.35Å
71	D	98.6	Very high	98.3	Very high	2 Å²	2	62.4 Å²	62.4	1%	0.011	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	150	166.2	-64.3	-35	0	0	0	110	A66 Y73 K147 R266	A66-D71 HydrophobicContact CB-CB 4.04Å; A66-D71 WeakPolarHBondContact O-CB 3.35Å; A66-D71 PolarHBondContact O-N 2.74Å; D71-Y73 PolarHBondContact O-N 2.67Å; D71-Y73 VanDerWaalsContact O-N 3.1Å; D71-K147 IonicContact OD1-NZ 2.74Å; D71-K147 PolarHBondContact OD1-NZ 3.31Å; D71-K147 IonicContact OD2-NZ 3.21Å; D71-R266 IonicContact OD1-NH2 2.68Å
72	W	98.7	Very high	98.2	Very high	17 Å²	17	61.6 Å²	61.6	6%	0.064	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	61	10.7	-173.2	-56.3	102.3	0	0	0	115.3	L67 K74 T75 H146 L149 E150 L153 A186 L191 I192	L67-W72 HydrophobicContact CD2-CB 3.95Å; W72-K74 PolarHBondContact O-N 3.21Å; W72-T75 WeakPolarHBondContact CA-OG1 3.4Å; W72-T75 HydrophobicContact CE3-CG2 4.16Å; W72-T75 HydrophobicContact CZ3-CG2 4.31Å; W72-T75 PolarHBondContact O-OG1 3.32Å; W72-H146 AromaticContact NE1-CG 3.74Å; W72-H146 AromaticContact NE1-ND1 3.32Å; W72-H146 PolarHBondContact NE1-ND1 3.21Å; W72-L149 HydrophobicContact CH2-CB 4.34Å; W72-L149 HydrophobicContact CZ2-CB 3.82Å; W72-E150 WeakPolarHBondContact CA-OE1 3.39Å; W72-E150 HydrophobicContact CD2-CB 4.02Å; W72-E150 HydrophobicContact CD2-CG 4.19Å; W72-E150 HydrophobicContact CE3-CB 4.03Å; W72-E150 HydrophobicContact CE3-CG 3.88Å; W72-E150 VanDerWaalsContact CH2-CA 3.49Å; W72-E150 HydrophobicContact CH2-CB 3.97Å; W72-E150 HydrophobicContact CZ2-CB 3.94Å; W72-E150 HydrophobicContact CZ3-CB 4.01Å; W72-E150 HydrophobicContact CZ3-CG 4.05Å; W72-E150 VanDerWaalsContact N-CD 3.27Å; W72-E150 PolarHBondContact N-OE1 3.37Å; W72-E150 PolarHBondContact N-OE2 2.71Å; W72-L153 HydrophobicContact CH2-CD2 4.44Å; W72-L153 HydrophobicContact CZ3-CD2 3.77Å; W72-A186 HydrophobicContact CZ2-CB 4.4Å; W72-L191 HydrophobicContact CB-CD1 4.47Å; W72-L191 HydrophobicContact CB-CD2 4.47Å; W72-L191 HydrophobicContact CD2-CB 4.32Å; W72-L191 HydrophobicContact CD2-CD1 3.77Å; W72-L191 HydrophobicContact CD2-CD2 4.34Å; W72-L191 HydrophobicContact CD2-CG 4.37Å; W72-L191 HydrophobicContact CE3-CB 4.02Å; W72-L191 HydrophobicContact CE3-CD1 4.26Å; W72-L191 HydrophobicContact CE3-CD2 4.16Å; W72-L191 HydrophobicContact CE3-CG 4.38Å; W72-L191 HydrophobicContact CG-CD1 3.85Å; W72-L191 HydrophobicContact CG-CD2 4.49Å; W72-L191 HydrophobicContact CH2-CB 4.11Å; W72-L191 HydrophobicContact CZ2-CB 4.41Å; W72-L191 HydrophobicContact CZ2-CD1 4.49Å; W72-L191 HydrophobicContact CZ3-CB 3.9Å; W72-I192 HydrophobicContact CH2-CG2 3.87Å
73	Y	98.5	Very high	98.1	Very high	136 Å²	136	59.5 Å²	59.5	53%	0.533	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	121.1	177.5	179.5	-110.5	0	0	0	110.9	G70 D71 T75 R266	G70-Y73 WeakPolarHBondContact O-CB 3.45Å; D71-Y73 PolarHBondContact O-N 2.67Å; D71-Y73 VanDerWaalsContact O-N 3.1Å; Y73-T75 PolarHBondContact O-N 3.28Å; Y73-T75 VanDerWaalsContact O-N 3.15Å; Y73-R266 WeakPolarHBondContact O-CD 3.44Å
74	K	98.2	Very high	98	Very high	108 Å²	108	66.4 Å²	66.4	47%	0.47	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	54	29.3	179.1	-66.1	-175.4	173.1	178.8	0	114.5	W72 K76 E77 I78	W72-K74 PolarHBondContact O-N 3.21Å; K74-K76 VanDerWaalsContact C-N 3.29Å; K74-K76 PolarHBondContact O-N 3.12Å; K74-E77 VanDerWaalsContact C-OE2 3.28Å; K74-E77 WeakPolarHBondContact CA-OE2 3.39Å; K74-E77 HydrophobicContact CB-CB 4.39Å; K74-E77 PolarHBondContact O-N 3.33Å; K74-I78 WeakPolarHBondContact O-CG1 3.45Å; K74-I78 PolarHBondContact O-N 3.23Å; K74-I78 VanDerWaalsContact O-N 3.08Å
75	T	98.7	Very high	98	Very high	3 Å²	3	61.1 Å²	61.1	2%	0.018	31%	0.309	C	S	.	.	H	α-helix	trans	-61.6	-40.5	178.3	-42.1	0	0	0	0	110.6	W72 Y73 E77 I78 L79 E150 L153 I154	W72-T75 WeakPolarHBondContact CA-OG1 3.4Å; W72-T75 HydrophobicContact CE3-CG2 4.16Å; W72-T75 HydrophobicContact CZ3-CG2 4.31Å; W72-T75 PolarHBondContact O-OG1 3.32Å; Y73-T75 PolarHBondContact O-N 3.28Å; Y73-T75 VanDerWaalsContact O-N 3.15Å; T75-E77 VanDerWaalsContact C-N 3.34Å; T75-E77 PolarHBondContact O-N 2.77Å; T75-I78 WeakPolarHBondContact O-CB 3.4Å; T75-I78 PolarHBondContact O-N 2.95Å; T75-I78 VanDerWaalsContact O-N 3.16Å; T75-L79 HydrophobicContact CG2-CD1 4.48Å; T75-L79 VanDerWaalsContact O-CG 3.28Å; T75-L79 WeakPolarHBondContact O-CG 3.25Å; T75-L79 PolarHBondContact O-N 2.96Å; T75-E150 HydrophobicContact CG2-CG 3.97Å; T75-E150 PolarHBondContact OG1-OE1 3.49Å; T75-L153 HydrophobicContact CG2-CD2 4.08Å; T75-I154 HydrophobicContact CG2-CD1 4.27Å; T75-I154 HydrophobicContact CG2-CG1 4.2Å
76	K	98.3	Very high	98	Very high	90 Å²	90	60.8 Å²	60.8	39%	0.391	31%	0.306	S	S	.	.	H	α-helix	trans	-54.8	-48.8	175.7	-179.7	-179.7	177.4	161.9	0	111.7	K74 I78 L79 L80 C197 G198	K74-K76 VanDerWaalsContact C-N 3.29Å; K74-K76 PolarHBondContact O-N 3.12Å; K76-I78 VanDerWaalsContact C-N 3.33Å; K76-I78 PolarHBondContact O-N 3.27Å; K76-L79 PolarHBondContact O-N 2.7Å; K76-L80 HydrophobicContact CG-CD1 3.98Å; K76-L80 HydrophobicContact CG-CG 4.43Å; K76-L80 VanDerWaalsContact O-CG 3.31Å; K76-L80 WeakPolarHBondContact O-CG 3.47Å; K76-L80 PolarHBondContact O-N 3.09Å; K76-C197 HydrophobicContact CB-CB 4.25Å; K76-C197 WeakPolarHBondContact CD-O 3.34Å; K76-C197 WeakPolarHBondContact CG-O 3.33Å; K76-G198 WeakPolarHBondContact CE-O 3.46Å; K76-G198 PolarHBondContact NZ-O 3.29Å
77	E	98.5	Very high	97.9	Very high	97 Å²	97	61.3 Å²	61.3	45%	0.453	31%	0.309	S	S	.	.	H	α-helix	trans	-64.6	-38.2	180	-66.3	85.8	159.3	0	0	111.5	K74 T75 L80 K81	K74-E77 VanDerWaalsContact C-OE2 3.28Å; K74-E77 WeakPolarHBondContact CA-OE2 3.39Å; K74-E77 HydrophobicContact CB-CB 4.39Å; K74-E77 PolarHBondContact O-N 3.33Å; T75-E77 VanDerWaalsContact C-N 3.34Å; T75-E77 PolarHBondContact O-N 2.77Å; E77-L80 PolarHBondContact O-N 2.79Å; E77-K81 WeakPolarHBondContact O-CG 3.16Å; E77-K81 PolarHBondContact O-N 3.45Å
78	I	98.4	Very high	97.9	Very high	9 Å²	9	61.1 Å²	61.1	5%	0.046	31%	0.305	C	S	.	.	H	α-helix	trans	-60.4	-46.3	172.6	-71.4	165.7	0	0	0	110.7	K74 T75 K76 L80 K81 W85 I86 I154 C265 R266	K74-I78 WeakPolarHBondContact O-CG1 3.45Å; K74-I78 PolarHBondContact O-N 3.23Å; K74-I78 VanDerWaalsContact O-N 3.08Å; T75-I78 WeakPolarHBondContact O-CB 3.4Å; T75-I78 PolarHBondContact O-N 2.95Å; T75-I78 VanDerWaalsContact O-N 3.16Å; K76-I78 VanDerWaalsContact C-N 3.33Å; K76-I78 PolarHBondContact O-N 3.27Å; I78-L80 PolarHBondContact O-N 3.22Å; I78-K81 PolarHBondContact O-N 3.44Å; I78-W85 HydrophobicContact CG1-CZ3 4.44Å; I78-W85 HydrophobicContact CG2-CZ3 4.11Å; I78-I86 HydrophobicContact CG2-CD1 4.24Å; I78-I86 HydrophobicContact CG2-CG1 4.21Å; I78-I154 HydrophobicContact CD1-CD1 4.25Å; I78-I154 HydrophobicContact CG2-CD1 3.95Å; I78-I154 HydrophobicContact CG2-CG1 4.07Å; I78-I154 HydrophobicContact CG2-CG2 4.31Å; I78-C265 HydrophobicContact CD1-CB 3.97Å; I78-C265 HydrophobicContact CG1-CB 4.33Å; I78-C265 HydrophobicContact CG2-CB 4.11Å; I78-R266 HydrophobicContact CD1-CG 3.77Å
79	L	98.3	Very high	97.9	Very high	15 Å²	15	57.8 Å²	57.8	8%	0.079	28%	0.278	C	S	.	.	H	α-helix	trans	-63.3	-41	178.6	-62.6	174.8	0	0	0	112	T75 K76 K81 G82 L153 I154 S157 C197	T75-L79 HydrophobicContact CG2-CD1 4.48Å; T75-L79 VanDerWaalsContact O-CG 3.28Å; T75-L79 WeakPolarHBondContact O-CG 3.25Å; T75-L79 PolarHBondContact O-N 2.96Å; K76-L79 PolarHBondContact O-N 2.7Å; L79-K81 VanDerWaalsContact C-N 3.26Å; L79-K81 PolarHBondContact O-N 3.28Å; L79-G82 PolarHBondContact O-N 2.97Å; L79-G82 VanDerWaalsContact O-N 3.08Å; L79-L153 HydrophobicContact CD1-CD1 4.37Å; L79-L153 HydrophobicContact CD1-CD2 3.85Å; L79-L153 HydrophobicContact CD1-CG 4.07Å; L79-L153 HydrophobicContact CD2-CG 4.19Å; L79-I154 HydrophobicContact CD2-CG1 4.48Å; L79-S157 WeakPolarHBondContact CD2-OG 3.21Å; L79-C197 HydrophobicContact CD1-CB 4.36Å
80	L	98.2	Very high	97.9	Very high	108 Å²	108	55.5 Å²	55.5	57%	0.565	27%	0.27	S	S	*	.	H	α-helix	trans	-69.7	-18.9	180	-70.1	175.5	0	0	0	113.9	K76 E77 I78 G82	K76-L80 HydrophobicContact CG-CD1 3.98Å; K76-L80 HydrophobicContact CG-CG 4.43Å; K76-L80 VanDerWaalsContact O-CG 3.31Å; K76-L80 WeakPolarHBondContact O-CG 3.47Å; K76-L80 PolarHBondContact O-N 3.09Å; E77-L80 PolarHBondContact O-N 2.79Å; I78-L80 PolarHBondContact O-N 3.22Å; L80-G82 PolarHBondContact O-N 2.87Å
81	K	97.6	Very high	97.9	Very high	121 Å²	121	58.5 Å²	58.5	53%	0.526	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-15.6	170.2	-73	-178.3	179.2	-174	0	113.2	E77 I78 L79 W85	E77-K81 WeakPolarHBondContact O-CG 3.16Å; E77-K81 PolarHBondContact O-N 3.45Å; I78-K81 PolarHBondContact O-N 3.44Å; L79-K81 VanDerWaalsContact C-N 3.26Å; L79-K81 PolarHBondContact O-N 3.28Å; K81-W85 HydrophobicContact CB-CB 4.06Å; K81-W85 HydrophobicContact CB-CD2 3.78Å; K81-W85 HydrophobicContact CB-CE3 3.63Å; K81-W85 HydrophobicContact CB-CG 3.95Å; K81-W85 HydrophobicContact CB-CZ3 4.42Å; K81-W85 HydrophobicContact CD-CD2 3.41Å; K81-W85 VanDerWaalsContact CD-CD2 3.41Å; K81-W85 HydrophobicContact CD-CE3 3.47Å; K81-W85 VanDerWaalsContact CD-CE3 3.47Å; K81-W85 HydrophobicContact CD-CG 4.1Å; K81-W85 HydrophobicContact CD-CH2 3.74Å; K81-W85 HydrophobicContact CD-CZ2 3.68Å; K81-W85 HydrophobicContact CD-CZ3 3.64Å; K81-W85 HydrophobicContact CG-CD2 4.24Å; K81-W85 HydrophobicContact CG-CE3 4.23Å
82	G	96.1	Very high	97.8	Very high	29 Å²	29	63.2 Å²	63.2	30%	0.299	30%	0.297	S	S	.	.			trans	87.3	165.3	172.6	0	0	0	0	0	115.2	L79 L80 E84 W85 I86	L79-G82 PolarHBondContact O-N 2.97Å; L79-G82 VanDerWaalsContact O-N 3.08Å; L80-G82 PolarHBondContact O-N 2.87Å; G82-E84 PolarHBondContact O-N 2.67Å; G82-W85 PolarHBondContact O-N 3.28Å; G82-I86 PolarHBondContact O-N 3.29Å
83	S	95.8	Very high	97.8	Very high	42 Å²	42	62.4 Å²	62.4	29%	0.294	29%	0.294	S	S	.	.	H	α-helix	trans	-57.9	-44.2	-174.4	158.2	0	0	0	0	113.4	W85 I86 I87 A158	S83-W85 PolarHBondContact O-N 2.93Å; S83-I86 PolarHBondContact O-N 2.77Å; S83-I87 WeakPolarHBondContact O-CG1 3.45Å; S83-I87 PolarHBondContact O-N 3.46Å; S83-A158 WeakPolarHBondContact CB-O 3.36Å; S83-A158 PolarHBondContact OG-O 3.21Å
84	E	96.4	Very high	97.7	Very high	169 Å²	169	57 Å²	57	79%	0.79	28%	0.28	S	S	*	.	H	α-helix	trans	-61.7	-43	-178.5	-70.1	-179	168.6	0	0	111.9	G82 I87 Q88	G82-E84 PolarHBondContact O-N 2.67Å; E84-I87 PolarHBondContact O-N 2.79Å; E84-Q88 VanDerWaalsContact O-CB 3.27Å; E84-Q88 WeakPolarHBondContact O-CB 3.3Å; E84-Q88 PolarHBondContact O-N 3.27Å
85	W	98.1	Very high	97.7	Very high	61 Å²	61	52 Å²	52	23%	0.231	26%	0.258	C	S	.	.	H	α-helix	trans	-63.8	-46.3	178.3	-178.9	78.3	0	0	0	111.4	I78 K81 G82 S83 I87 Q88 E89 C265	I78-W85 HydrophobicContact CG1-CZ3 4.44Å; I78-W85 HydrophobicContact CG2-CZ3 4.11Å; K81-W85 HydrophobicContact CB-CB 4.06Å; K81-W85 HydrophobicContact CB-CD2 3.78Å; K81-W85 HydrophobicContact CB-CE3 3.63Å; K81-W85 HydrophobicContact CB-CG 3.95Å; K81-W85 HydrophobicContact CB-CZ3 4.42Å; K81-W85 HydrophobicContact CD-CD2 3.41Å; K81-W85 VanDerWaalsContact CD-CD2 3.41Å; K81-W85 HydrophobicContact CD-CE3 3.47Å; K81-W85 VanDerWaalsContact CD-CE3 3.47Å; K81-W85 HydrophobicContact CD-CG 4.1Å; K81-W85 HydrophobicContact CD-CH2 3.74Å; K81-W85 HydrophobicContact CD-CZ2 3.68Å; K81-W85 HydrophobicContact CD-CZ3 3.64Å; K81-W85 HydrophobicContact CG-CD2 4.24Å; K81-W85 HydrophobicContact CG-CE3 4.23Å; G82-W85 PolarHBondContact O-N 3.28Å; S83-W85 PolarHBondContact O-N 2.93Å; W85-I87 PolarHBondContact O-N 3.48Å; W85-Q88 PolarHBondContact O-N 3.26Å; W85-E89 HydrophobicContact CD2-CG 3.98Å; W85-E89 VanDerWaalsContact CE2-CG 3.48Å; W85-E89 HydrophobicContact CE3-CG 4.32Å; W85-E89 HydrophobicContact CH2-CG 3.84Å; W85-E89 HydrophobicContact CZ2-CG 3.43Å; W85-E89 VanDerWaalsContact CZ2-CG 3.43Å; W85-E89 WeakPolarHBondContact CZ2-OE1 3.39Å; W85-E89 HydrophobicContact CZ3-CG 4.26Å; W85-E89 PolarHBondContact NE1-OE1 2.82Å; W85-E89 WeakPolarHBondContact O-CG 3.32Å; W85-E89 PolarHBondContact O-N 2.94Å; W85-C265 HydrophobicContact CH2-CB 4.21Å; W85-C265 HydrophobicContact CZ3-CB 4.14Å
86	I	98.3	Very high	97.7	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-61	-46.9	179.5	-62	167.1	0	0	0	110.7	I78 G82 S83 Q88 E89 V90 I154 S157 A158	I78-I86 HydrophobicContact CG2-CD1 4.24Å; I78-I86 HydrophobicContact CG2-CG1 4.21Å; G82-I86 PolarHBondContact O-N 3.29Å; S83-I86 PolarHBondContact O-N 2.77Å; I86-Q88 VanDerWaalsContact C-N 3.29Å; I86-Q88 PolarHBondContact O-N 3.37Å; I86-E89 PolarHBondContact O-N 2.82Å; I86-V90 WeakPolarHBondContact O-CG2 3.43Å; I86-V90 PolarHBondContact O-N 3.29Å; I86-V90 VanDerWaalsContact O-N 3.08Å; I86-I154 HydrophobicContact CD1-CG2 4.35Å; I86-I154 HydrophobicContact CG2-CG2 3.73Å; I86-S157 WeakPolarHBondContact CD1-OG 3.37Å; I86-A158 HydrophobicContact CB-CB 3.97Å; I86-A158 HydrophobicContact CD1-CB 4.43Å; I86-A158 HydrophobicContact CG2-CB 3.63Å
87	I	97.7	Very high	97.5	Very high	10 Å²	10	49.9 Å²	49.9	5%	0.051	25%	0.252	C	S	.	.	H	α-helix	trans	-63	-40	179.2	-71.3	175	0	0	0	111.1	S83 E84 W85 V90 K91 W109 C113 A158	S83-I87 WeakPolarHBondContact O-CG1 3.45Å; S83-I87 PolarHBondContact O-N 3.46Å; E84-I87 PolarHBondContact O-N 2.79Å; W85-I87 PolarHBondContact O-N 3.48Å; I87-V90 PolarHBondContact O-N 3.33Å; I87-K91 HydrophobicContact CG2-CD 4.02Å; I87-K91 HydrophobicContact CG2-CG 4.37Å; I87-K91 WeakPolarHBondContact O-CB 3.44Å; I87-K91 WeakPolarHBondContact O-CG 3.28Å; I87-K91 PolarHBondContact O-N 3.35Å; I87-W109 HydrophobicContact CG1-CB 4.49Å; I87-C113 WeakPolarHBondContact CD1-SG 3.46Å; I87-A158 WeakPolarHBondContact CD1-O 3.33Å; I87-A158 HydrophobicContact CG1-CB 4.06Å
88	Q	97.6	Very high	97.4	Very high	89 Å²	89	45.3 Å²	45.3	42%	0.416	23%	0.231	S	C	.	.	H	α-helix	trans	-66.2	-45	179.5	-174.4	58.2	22.5	0	0	111.4	E84 W85 I86 V90 K91 E92	E84-Q88 VanDerWaalsContact O-CB 3.27Å; E84-Q88 WeakPolarHBondContact O-CB 3.3Å; E84-Q88 PolarHBondContact O-N 3.27Å; W85-Q88 PolarHBondContact O-N 3.26Å; I86-Q88 VanDerWaalsContact C-N 3.29Å; I86-Q88 PolarHBondContact O-N 3.37Å; Q88-V90 VanDerWaalsContact C-N 3.3Å; Q88-V90 PolarHBondContact O-N 2.92Å; Q88-K91 WeakPolarHBondContact O-CB 3.35Å; Q88-K91 PolarHBondContact O-N 3.31Å; Q88-K91 VanDerWaalsContact O-N 3.13Å; Q88-E92 HydrophobicContact CG-CG 4.4Å; Q88-E92 WeakPolarHBondContact CG-OE1 3.42Å; Q88-E92 PolarHBondContact NE2-OE1 3.28Å; Q88-E92 WeakPolarHBondContact O-CB 3.46Å; Q88-E92 WeakPolarHBondContact O-CG 3.35Å; Q88-E92 PolarHBondContact O-N 3.25Å
89	E	98.1	Very high	96.7	Very high	32 Å²	32	46.7 Å²	46.7	15%	0.15	25%	0.247	C	C	.	.	H	α-helix	trans	-58.2	-41.8	174.2	-73.3	-69.8	155.1	0	0	112.1	W85 I86 E92 S93 G269	W85-E89 HydrophobicContact CD2-CG 3.98Å; W85-E89 VanDerWaalsContact CE2-CG 3.48Å; W85-E89 HydrophobicContact CE3-CG 4.32Å; W85-E89 HydrophobicContact CH2-CG 3.84Å; W85-E89 HydrophobicContact CZ2-CG 3.43Å; W85-E89 VanDerWaalsContact CZ2-CG 3.43Å; W85-E89 WeakPolarHBondContact CZ2-OE1 3.39Å; W85-E89 HydrophobicContact CZ3-CG 4.26Å; W85-E89 PolarHBondContact NE1-OE1 2.82Å; W85-E89 WeakPolarHBondContact O-CG 3.32Å; W85-E89 PolarHBondContact O-N 2.94Å; I86-E89 PolarHBondContact O-N 2.82Å; E89-E92 PolarHBondContact O-N 2.99Å; E89-S93 WeakPolarHBondContact O-CB 3.47Å; E89-S93 PolarHBondContact O-N 3.12Å; E89-G269 PolarHBondContact OE2-N 3.14Å
90	V	98.1	Very high	96	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-70.1	-35	177.3	179	0	0	0	0	111.7	I86 I87 Q88 S93 L95 A105 W109	I86-V90 WeakPolarHBondContact O-CG2 3.43Å; I86-V90 PolarHBondContact O-N 3.29Å; I86-V90 VanDerWaalsContact O-N 3.08Å; I87-V90 PolarHBondContact O-N 3.33Å; Q88-V90 VanDerWaalsContact C-N 3.3Å; Q88-V90 PolarHBondContact O-N 2.92Å; V90-S93 PolarHBondContact O-OG 2.94Å; V90-L95 HydrophobicContact CG1-CB 4.36Å; V90-L95 HydrophobicContact CG1-CD2 4.16Å; V90-A105 HydrophobicContact CG1-CB 4.25Å; V90-W109 HydrophobicContact CB-CE3 4.46Å; V90-W109 HydrophobicContact CB-CZ3 4.3Å; V90-W109 HydrophobicContact CG1-CE3 4.36Å; V90-W109 HydrophobicContact CG1-CZ3 4.25Å; V90-W109 HydrophobicContact CG2-CE3 4.26Å; V90-W109 HydrophobicContact CG2-CH2 4.26Å; V90-W109 HydrophobicContact CG2-CZ3 3.66Å
91	K	97.5	Very high	95.3	Very high	90 Å²	90	46.8 Å²	46.8	39%	0.391	27%	0.269	S	S	.	.	H	α-helix	trans	-64.9	-46.3	172	-76.6	176.1	177.8	176.1	0	111.4	I87 Q88 S93 G94 G106	I87-K91 HydrophobicContact CG2-CD 4.02Å; I87-K91 HydrophobicContact CG2-CG 4.37Å; I87-K91 WeakPolarHBondContact O-CB 3.44Å; I87-K91 WeakPolarHBondContact O-CG 3.28Å; I87-K91 PolarHBondContact O-N 3.35Å; Q88-K91 WeakPolarHBondContact O-CB 3.35Å; Q88-K91 PolarHBondContact O-N 3.31Å; Q88-K91 VanDerWaalsContact O-N 3.13Å; K91-S93 VanDerWaalsContact C-N 3.28Å; K91-S93 PolarHBondContact O-N 2.68Å; K91-G94 PolarHBondContact O-N 3.12Å; K91-G94 VanDerWaalsContact O-N 3.08Å; K91-G106 WeakPolarHBondContact CE-O 3.31Å
92	E	97.2	Very high	95.1	Very high	102 Å²	102	41.1 Å²	41.1	48%	0.477	25%	0.245	S	C	.	.	H	α-helix	trans	-64	-32.7	178.7	-74.2	178.1	-169.5	0	0	112.4	Q88 E89 G94	Q88-E92 HydrophobicContact CG-CG 4.4Å; Q88-E92 WeakPolarHBondContact CG-OE1 3.42Å; Q88-E92 PolarHBondContact NE2-OE1 3.28Å; Q88-E92 WeakPolarHBondContact O-CB 3.46Å; Q88-E92 WeakPolarHBondContact O-CG 3.35Å; Q88-E92 PolarHBondContact O-N 3.25Å; E89-E92 PolarHBondContact O-N 2.99Å; E92-G94 PolarHBondContact O-N 3.15Å
93	S	97.7	Very high	95	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-19.5	173.8	79.8	0	0	0	0	114	E89 V90 K91 L95 G269 F272 H281	E89-S93 WeakPolarHBondContact O-CB 3.47Å; E89-S93 PolarHBondContact O-N 3.12Å; V90-S93 PolarHBondContact O-OG 2.94Å; K91-S93 VanDerWaalsContact C-N 3.28Å; K91-S93 PolarHBondContact O-N 2.68Å; S93-L95 PolarHBondContact O-N 2.85Å; S93-L95 VanDerWaalsContact OG-CB 3.31Å; S93-L95 WeakPolarHBondContact OG-CB 3.41Å; S93-L95 PolarHBondContact OG-N 3.41Å; S93-G269 WeakPolarHBondContact CA-O 3.43Å; S93-F272 WeakPolarHBondContact O-CD1 3.08Å; S93-H281 WeakPolarHBondContact O-CB 3.43Å
94	G	97.4	Very high	95.1	Very high	23 Å²	23	44.9 Å²	44.9	24%	0.237	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.2	17.1	-173.8	0	0	0	0	0	113.8	K91 E92 R96	K91-G94 PolarHBondContact O-N 3.12Å; K91-G94 VanDerWaalsContact O-N 3.08Å; E92-G94 PolarHBondContact O-N 3.15Å; G94-R96 PolarHBondContact O-N 3.48Å
95	L	98.1	Very high	95.1	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.005	22%	0.217	C	C	.	.			trans	-56.9	124.2	179.4	177.9	66.1	0	0	0	111.1	V90 S93 R98 A105 T257 V260 I264 F272	V90-L95 HydrophobicContact CG1-CB 4.36Å; V90-L95 HydrophobicContact CG1-CD2 4.16Å; S93-L95 PolarHBondContact O-N 2.85Å; S93-L95 VanDerWaalsContact OG-CB 3.31Å; S93-L95 WeakPolarHBondContact OG-CB 3.41Å; S93-L95 PolarHBondContact OG-N 3.41Å; L95-R98 HydrophobicContact CD1-CG 4.45Å; L95-A105 HydrophobicContact CB-CB 4.3Å; L95-A105 HydrophobicContact CD2-CB 3.84Å; L95-A105 HydrophobicContact CG-CB 3.85Å; L95-A105 WeakPolarHBondContact O-CB 3.48Å; L95-A105 PolarHBondContact O-N 3.49Å; L95-T257 HydrophobicContact CD2-CG2 3.92Å; L95-T257 HydrophobicContact CG-CG2 4.39Å; L95-V260 HydrophobicContact CD1-CG2 3.96Å; L95-V260 HydrophobicContact CD2-CG2 3.77Å; L95-I264 HydrophobicContact CB-CD1 4.31Å; L95-I264 HydrophobicContact CD2-CD1 3.89Å; L95-I264 HydrophobicContact CG-CD1 4.47Å; L95-F272 HydrophobicContact CB-CE1 4.04Å; L95-F272 HydrophobicContact CD1-CE1 3.68Å; L95-F272 HydrophobicContact CD1-CZ 3.72Å; L95-F272 HydrophobicContact CG-CE1 4.46Å
96	R	97.6	Very high	95	Very high	33 Å²	33	34 Å²	34	13%	0.125	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-105.5	146.8	171.9	-70.3	176.5	68.5	176.8	0.6	110.4	G94 R98 G102 R279 N280 F349 D350	G94-R96 PolarHBondContact O-N 3.48Å; R96-R98 WeakPolarHBondContact O-CD 3.4Å; R96-R98 PolarHBondContact O-N 3.38Å; R96-R98 PolarHBondContact O-NH1 2.77Å; R96-G102 PolarHBondContact NE-O 3.08Å; R96-G102 PolarHBondContact NH2-O 3.03Å; R96-R279 WeakPolarHBondContact CD-O 3.07Å; R96-R279 PolarHBondContact NH1-O 3.06Å; R96-N280 PolarHBondContact NH1-OD1 2.75Å; R96-F349 HydrophobicContact CB-CD2 4.41Å; R96-F349 HydrophobicContact CB-CE2 3.85Å; R96-F349 HydrophobicContact CB-CZ 4.4Å; R96-D350 IonicContact CZ-OD1 2.65Å; R96-D350 IonicContact NH1-OD1 2.69Å; R96-D350 PolarHBondContact NH1-OD1 2.9Å; R96-D350 IonicContact NH1-OD2 2.75Å; R96-D350 IonicContact NH2-OD1 3.73Å
97	G	95.1	Very high	94.9	Very high	16 Å²	16	38.6 Å²	38.6	17%	0.165	23%	0.229	C	C	.	.			trans	-54.7	125.2	-177.3	0	0	0	0	0	112.3	G99 G102 F103	G97-G99 VanDerWaalsContact C-N 3.33Å; G97-G99 PolarHBondContact O-N 3.29Å; G97-G102 WeakPolarHBondContact O-CA 3.44Å; G97-G102 PolarHBondContact O-N 2.93Å; G97-F103 PolarHBondContact N-O 3.35Å
98	R	96.3	Very high	94.8	Very high	1 Å²	1	40.5 Å²	40.5	0%	0.004	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	7	-172.8	-57.5	-58.8	-163.6	-126.3	14.4	114.7	L95 R96 K136 E256 T257 H281 T283	L95-R98 HydrophobicContact CD1-CG 4.45Å; R96-R98 WeakPolarHBondContact O-CD 3.4Å; R96-R98 PolarHBondContact O-N 3.38Å; R96-R98 PolarHBondContact O-NH1 2.77Å; R98-K136 WeakPolarHBondContact O-CE 3.46Å; R98-K136 PolarHBondContact O-NZ 3.32Å; R98-E256 HydrophobicContact CB-CB 3.85Å; R98-E256 HydrophobicContact CB-CG 3.91Å; R98-E256 WeakPolarHBondContact CB-OE2 3.44Å; R98-E256 HydrophobicContact CG-CB 4.33Å; R98-E256 HydrophobicContact CG-CG 3.95Å; R98-T257 VanDerWaalsContact CB-OG1 3.29Å; R98-T257 WeakPolarHBondContact CB-OG1 3.42Å; R98-T257 PolarHBondContact N-OG1 2.71Å; R98-H281 PolarHBondContact NH2-O 2.9Å; R98-T283 PolarHBondContact NE-O 2.62Å; R98-T283 PolarHBondContact NH2-O 3.09Å
99	G	84.1	Confident	94.8	Very high	38 Å²	38	36.3 Å²	36.3	39%	0.392	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-12.1	179.7	0	0	0	0	0	115.6	G97	G97-G99 VanDerWaalsContact C-N 3.33Å; G97-G99 PolarHBondContact O-N 3.29Å
100	G	82.6	Confident	94.7	Very high	27 Å²	27	36.3 Å²	36.3	28%	0.278	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	146	-54.2	-179.1	0	0	0	0	0	114.1	G102 G360	G100-G102 VanDerWaalsContact C-N 3.27Å; G100-G102 PolarHBondContact O-N 3.18Å; G100-G360 WeakPolarHBondContact CA-O 3.48Å
101	A	84.5	Confident	94.5	Very high	98 Å²	98	40.7 Å²	40.7	81%	0.81	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-19.1	-173.1	0	0	0	0	0	114.7	F103	A101-F103 PolarHBondContact O-N 3.1Å; A101-F103 VanDerWaalsContact O-N 3.17Å
102	G	92	Very high	94.3	Very high	3 Å²	3	36.6 Å²	36.6	3%	0.031	22%	0.222	C	C	.	.			trans	62.3	23.6	179.5	0	0	0	0	0	114.6	R96 G97 G100	R96-G102 PolarHBondContact NE-O 3.08Å; R96-G102 PolarHBondContact NH2-O 3.03Å; G97-G102 WeakPolarHBondContact O-CA 3.44Å; G97-G102 PolarHBondContact O-N 2.93Å; G100-G102 VanDerWaalsContact C-N 3.27Å; G100-G102 PolarHBondContact O-N 3.18Å
103	F	94.9	Very high	93.8	Very high	88 Å²	88	34.6 Å²	34.6	39%	0.386	22%	0.219	S	C	.	.			trans	-69.7	136.8	179	-169.9	-86.9	0	0	0	111.1	G97 A101 A105 M107 K108 F111	G97-F103 PolarHBondContact N-O 3.35Å; A101-F103 PolarHBondContact O-N 3.1Å; A101-F103 VanDerWaalsContact O-N 3.17Å; F103-A105 PolarHBondContact O-N 2.9Å; F103-A105 VanDerWaalsContact O-N 3.14Å; F103-M107 HydrophobicContact CE1-CB 4.28Å; F103-M107 HydrophobicContact CE1-CG 4.27Å; F103-M107 HydrophobicContact CZ-CG 4.34Å; F103-M107 HydrophobicContact CZ-SD 4.43Å; F103-K108 HydrophobicContact CD1-CB 3.76Å; F103-K108 HydrophobicContact CD1-CD 4.45Å; F103-K108 HydrophobicContact CD1-CG 4.28Å; F103-K108 HydrophobicContact CE1-CB 3.78Å; F103-K108 HydrophobicContact CE1-CG 4.37Å; F103-F111 AromaticContact CE1-CE2 3.82Å; F103-F111 HydrophobicContact CE1-CE2 3.82Å; F103-F111 HydrophobicContact CE1-CZ 4.31Å; F103-F111 AromaticContact CZ-CE2 3.64Å; F103-F111 HydrophobicContact CZ-CE2 3.64Å; F103-F111 AromaticContact CZ-CZ 3.87Å; F103-F111 HydrophobicContact CZ-CZ 3.87Å
104	P	97	Very high	92.9	Very high	61 Å²	61	39.5 Å²	39.5	40%	0.396	24%	0.24	S	C	.	.	B	Isolated β-bridge	trans	-57.9	116.9	-179.7	-24.4	34.3	0	0	0	112.8	M107 K108	P104-M107 HydrophobicContact CB-CB 4.1Å; P104-M107 PolarHBondContact O-N 3.33Å; P104-K108 PolarHBondContact O-N 3.46Å
105	A	97.2	Very high	92.4	Very high	2 Å²	2	44.2 Å²	44.2	2%	0.017	27%	0.267	C	S	.	.	H	α-helix	trans	-65.5	-46.4	-168.2	0	0	0	0	0	112.4	V90 L95 F103 M107 K108 W109 T257	V90-A105 HydrophobicContact CG1-CB 4.25Å; L95-A105 HydrophobicContact CB-CB 4.3Å; L95-A105 HydrophobicContact CD2-CB 3.84Å; L95-A105 HydrophobicContact CG-CB 3.85Å; L95-A105 WeakPolarHBondContact O-CB 3.48Å; L95-A105 PolarHBondContact O-N 3.49Å; F103-A105 PolarHBondContact O-N 2.9Å; F103-A105 VanDerWaalsContact O-N 3.14Å; A105-M107 VanDerWaalsContact C-N 3.28Å; A105-M107 PolarHBondContact O-N 2.97Å; A105-K108 WeakPolarHBondContact O-CA 3.33Å; A105-K108 WeakPolarHBondContact O-CB 3.03Å; A105-K108 PolarHBondContact O-N 3.26Å; A105-W109 VanDerWaalsContact O-CD1 3.28Å; A105-W109 PolarHBondContact O-N 3.46Å; A105-T257 HydrophobicContact CB-CG2 3.76Å
106	G	95.6	Very high	91.8	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.01	29%	0.294	C	S	.	.	H	α-helix	trans	-64.1	-32.6	178.3	0	0	0	0	0	113.1	K91 S110	K91-G106 WeakPolarHBondContact CE-O 3.31Å; G106-S110 PolarHBondContact O-N 3.41Å; G106-S110 VanDerWaalsContact O-N 3.17Å
107	M	96.7	Very high	91.5	Very high	95 Å²	95	52.9 Å²	52.9	47%	0.468	31%	0.311	S	S	.	.	H	α-helix	trans	-67.5	-43.7	171	-177.4	167.7	-83.5	0	0	111	F103 P104 A105 W109 S110 F111	F103-M107 HydrophobicContact CE1-CB 4.28Å; F103-M107 HydrophobicContact CE1-CG 4.27Å; F103-M107 HydrophobicContact CZ-CG 4.34Å; F103-M107 HydrophobicContact CZ-SD 4.43Å; P104-M107 HydrophobicContact CB-CB 4.1Å; P104-M107 PolarHBondContact O-N 3.33Å; A105-M107 VanDerWaalsContact C-N 3.28Å; A105-M107 PolarHBondContact O-N 2.97Å; M107-W109 VanDerWaalsContact C-N 3.31Å; M107-W109 PolarHBondContact O-N 3.4Å; M107-S110 PolarHBondContact O-N 3.16Å; M107-S110 PolarHBondContact O-OG 3.01Å; M107-F111 HydrophobicContact CG-CE1 4.11Å; M107-F111 HydrophobicContact CG-CZ 3.82Å; M107-F111 PolarHBondContact O-N 3.2Å
108	K	96.4	Very high	91.4	Very high	50 Å²	50	54.9 Å²	54.9	22%	0.217	33%	0.332	C	S	.	.	H	α-helix	trans	-56.8	-46.9	177.5	-165.1	174	-174.6	176.6	0	111.5	F103 P104 A105 S110 F111 E219 T251 V252	F103-K108 HydrophobicContact CD1-CB 3.76Å; F103-K108 HydrophobicContact CD1-CD 4.45Å; F103-K108 HydrophobicContact CD1-CG 4.28Å; F103-K108 HydrophobicContact CE1-CB 3.78Å; F103-K108 HydrophobicContact CE1-CG 4.37Å; P104-K108 PolarHBondContact O-N 3.46Å; A105-K108 WeakPolarHBondContact O-CA 3.33Å; A105-K108 WeakPolarHBondContact O-CB 3.03Å; A105-K108 PolarHBondContact O-N 3.26Å; K108-S110 VanDerWaalsContact C-N 3.3Å; K108-S110 PolarHBondContact O-N 3.1Å; K108-F111 WeakPolarHBondContact O-CB 3.39Å; K108-F111 WeakPolarHBondContact O-CD2 3.15Å; K108-F111 PolarHBondContact O-N 2.96Å; K108-E219 WeakPolarHBondContact CE-OE1 3.37Å; K108-E219 IonicContact NZ-OE1 3.18Å; K108-E219 PolarHBondContact NZ-OE1 3.31Å; K108-T251 HydrophobicContact CD-CG2 4.24Å; K108-T251 HydrophobicContact CG-CG2 4.22Å; K108-V252 WeakPolarHBondContact CE-O 3.47Å; K108-V252 PolarHBondContact NZ-O 3.19Å
109	W	96.9	Very high	91.3	Very high	1 Å²	1	58.5 Å²	58.5	0%	0.004	35%	0.346	C	S	.	.	H	α-helix	trans	-65.1	-35.8	-179.5	-62.5	-1.1	0	0	0	111.9	I87 V90 A105 M107 F111 M112 A155 A158 M159	I87-W109 HydrophobicContact CG1-CB 4.49Å; V90-W109 HydrophobicContact CB-CE3 4.46Å; V90-W109 HydrophobicContact CB-CZ3 4.3Å; V90-W109 HydrophobicContact CG1-CE3 4.36Å; V90-W109 HydrophobicContact CG1-CZ3 4.25Å; V90-W109 HydrophobicContact CG2-CE3 4.26Å; V90-W109 HydrophobicContact CG2-CH2 4.26Å; V90-W109 HydrophobicContact CG2-CZ3 3.66Å; A105-W109 VanDerWaalsContact O-CD1 3.28Å; A105-W109 PolarHBondContact O-N 3.46Å; M107-W109 VanDerWaalsContact C-N 3.31Å; M107-W109 PolarHBondContact O-N 3.4Å; W109-F111 PolarHBondContact O-N 3.27Å; W109-F111 VanDerWaalsContact O-N 3.14Å; W109-M112 WeakPolarHBondContact O-CB 3.39Å; W109-M112 PolarHBondContact O-N 2.87Å; W109-A155 HydrophobicContact CH2-CB 3.61Å; W109-A155 HydrophobicContact CZ2-CB 3.79Å; W109-A155 HydrophobicContact CZ3-CB 4.05Å; W109-A158 HydrophobicContact CE3-CB 4.39Å; W109-M159 HydrophobicContact CB-CG 3.87Å; W109-M159 HydrophobicContact CB-SD 3.88Å; W109-M159 HydrophobicContact CD2-CE 4.35Å; W109-M159 HydrophobicContact CG-CE 4.17Å; W109-M159 HydrophobicContact CG-CG 4.29Å; W109-M159 HydrophobicContact CG-SD 3.83Å
110	S	95.4	Very high	91.9	Very high	32 Å²	32	58.4 Å²	58.4	22%	0.224	34%	0.338	C	S	.	.	H	α-helix	trans	-64.3	-18.2	178.1	71.1	0	0	0	0	114.6	G106 M107 K108 M112 C113	G106-S110 PolarHBondContact O-N 3.41Å; G106-S110 VanDerWaalsContact O-N 3.17Å; M107-S110 PolarHBondContact O-N 3.16Å; M107-S110 PolarHBondContact O-OG 3.01Å; K108-S110 VanDerWaalsContact C-N 3.3Å; K108-S110 PolarHBondContact O-N 3.1Å; S110-M112 PolarHBondContact O-N 3.41Å; S110-C113 PolarHBondContact O-N 3.11Å
111	F	93.9	Very high	92.6	Very high	92 Å²	92	58.3 Å²	58.3	40%	0.404	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-20.4	173.8	-59.4	-35.3	0	0	0	113.5	F103 M107 K108 W109 A241	F103-F111 AromaticContact CE1-CE2 3.82Å; F103-F111 HydrophobicContact CE1-CE2 3.82Å; F103-F111 HydrophobicContact CE1-CZ 4.31Å; F103-F111 AromaticContact CZ-CE2 3.64Å; F103-F111 HydrophobicContact CZ-CE2 3.64Å; F103-F111 AromaticContact CZ-CZ 3.87Å; F103-F111 HydrophobicContact CZ-CZ 3.87Å; M107-F111 HydrophobicContact CG-CE1 4.11Å; M107-F111 HydrophobicContact CG-CZ 3.82Å; M107-F111 PolarHBondContact O-N 3.2Å; K108-F111 WeakPolarHBondContact O-CB 3.39Å; K108-F111 WeakPolarHBondContact O-CD2 3.15Å; K108-F111 PolarHBondContact O-N 2.96Å; W109-F111 PolarHBondContact O-N 3.27Å; W109-F111 VanDerWaalsContact O-N 3.14Å; F111-A241 HydrophobicContact CB-CB 3.9Å
112	M	92.9	Very high	93.3	Very high	4 Å²	4	54.5 Å²	54.5	2%	0.02	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-18.3	176.9	-66.1	-65.7	-73.1	0	0	113.1	W109 S110 K114 R121 M159 A241 P249 T251	W109-M112 WeakPolarHBondContact O-CB 3.39Å; W109-M112 PolarHBondContact O-N 2.87Å; S110-M112 PolarHBondContact O-N 3.41Å; M112-K114 PolarHBondContact O-N 3.27Å; M112-R121 HydrophobicContact CE-CB 3.82Å; M112-R121 HydrophobicContact CE-CG 4.21Å; M112-R121 VanDerWaalsContact O-CZ 3.24Å; M112-R121 PolarHBondContact O-NH1 3.45Å; M112-M159 HydrophobicContact CB-CB 3.79Å; M112-M159 HydrophobicContact CB-CG 3.95Å; M112-M159 HydrophobicContact CB-SD 4.43Å; M112-M159 HydrophobicContact CG-CB 4.11Å; M112-M159 HydrophobicContact CG-CG 4.07Å; M112-M159 HydrophobicContact CG-SD 3.88Å; M112-A241 HydrophobicContact SD-CB 4.1Å; M112-P249 HydrophobicContact CE-CB 3.86Å; M112-P249 VanDerWaalsContact CE-O 3.23Å; M112-P249 WeakPolarHBondContact CE-O 3.46Å; M112-P249 HydrophobicContact SD-CB 4.16Å; M112-T251 WeakPolarHBondContact CG-OG1 3.37Å
113	C	86.8	Confident	93.6	Very high	60 Å²	60	54.3 Å²	54.3	41%	0.405	29%	0.293	S	S	.	.			trans	-77.3	26.7	-174.1	-60.4	0	0	0	0	114.4	I87 S110	I87-C113 WeakPolarHBondContact CD1-SG 3.46Å; S110-C113 PolarHBondContact O-N 3.11Å
114	K	80.5	Confident	93.8	Very high	104 Å²	104	50.1 Å²	50.1	45%	0.452	27%	0.274	S	S	.	.	S	Bend	trans	-69.7	166.8	172.7	-64.1	-179.2	-179.3	-179.4	0	110	M112 R121 E242	M112-K114 PolarHBondContact O-N 3.27Å; K114-R121 PolarHBondContact O-NH1 2.98Å; K114-R121 PolarHBondContact O-NH2 3.24Å; K114-E242 IonicContact NZ-OE1 3.06Å; K114-E242 PolarHBondContact NZ-OE1 3.1Å
115	P	85.5	Confident	93.8	Very high	121 Å²	121	47.2 Å²	47.2	79%	0.786	26%	0.255	S	S	*	.	P	Polyproline II helix	trans	-57.4	147.2	168.9	-25.9	36	0	0	0	112	R121	P115-R121 VanDerWaalsContact C-NH2 3.34Å; P115-R121 PolarHBondContact O-NH2 3.02Å
116	H	86	Confident	93.9	Very high	125 Å²	125	48.3 Å²	48.3	58%	0.579	26%	0.261	S	S	*	.	P	Polyproline II helix	trans	-72.8	128.3	178.2	-167.5	-86.8	0	0	0	109.9	G118 R119	H116-G118 VanDerWaalsContact CE1-CA 3.46Å; H116-G118 WeakPolarHBondContact CE1-CA 3.45Å; H116-G118 PolarHBondContact ND1-N 2.9Å; H116-G118 VanDerWaalsContact ND1-N 3.11Å; H116-R119 PolarHBondContact NE2-O 2.94Å; H116-R119 VanDerWaalsContact NE2-O 3.13Å
117	D	90.6	Very high	94	Very high	91 Å²	91	48.3 Å²	48.3	49%	0.487	26%	0.26	S	S	.	.			trans	-104.8	9.9	-176.8	65.1	0.3	0	0	0	113.3	R119	D117-R119 WeakPolarHBondContact OD1-CB 3.41Å; D117-R119 PolarHBondContact OD1-N 3.39Å; D117-R119 IonicContact OD1-NE 3.28Å; D117-R119 PolarHBondContact OD1-NE 3.46Å; D117-R119 IonicContact OD2-CZ 2.79Å; D117-R119 IonicContact OD2-NE 2.99Å; D117-R119 PolarHBondContact OD2-NE 3.49Å; D117-R119 IonicContact OD2-NH2 3.32Å; D117-R119 PolarHBondContact OD2-NH2 2.93Å
118	G	93.6	Very high	94	Very high	59 Å²	59	43.8 Å²	43.8	61%	0.608	24%	0.238	S	C	*	.	S	Bend	trans	98.6	-19.9	-177.6	0	0	0	0	0	113.5	H116	H116-G118 VanDerWaalsContact CE1-CA 3.46Å; H116-G118 WeakPolarHBondContact CE1-CA 3.45Å; H116-G118 PolarHBondContact ND1-N 2.9Å; H116-G118 VanDerWaalsContact ND1-N 3.11Å
119	R	95.3	Very high	94	Very high	77 Å²	77	42 Å²	42	29%	0.291	23%	0.23	S	C	.	.	S	Bend	trans	-78.6	135.3	175	-61.7	179.3	-68.7	161.6	-0.5	110	H116 D117 E242 G247	H116-R119 PolarHBondContact NE2-O 2.94Å; H116-R119 VanDerWaalsContact NE2-O 3.13Å; D117-R119 WeakPolarHBondContact OD1-CB 3.41Å; D117-R119 PolarHBondContact OD1-N 3.39Å; D117-R119 IonicContact OD1-NE 3.28Å; D117-R119 PolarHBondContact OD1-NE 3.46Å; D117-R119 IonicContact OD2-CZ 2.79Å; D117-R119 IonicContact OD2-NE 2.99Å; D117-R119 PolarHBondContact OD2-NE 3.49Å; D117-R119 IonicContact OD2-NH2 3.32Å; D117-R119 PolarHBondContact OD2-NH2 2.93Å; R119-E242 PolarHBondContact NH1-O 3.43Å; R119-E242 PolarHBondContact NH2-O 3.16Å; R119-E242 VanDerWaalsContact NH2-O 3.14Å; R119-G247 PolarHBondContact NH1-O 2.85Å
120	P	96	Very high	94	Very high	35 Å²	35	42.2 Å²	42.2	23%	0.227	23%	0.233	C	C	.	.			trans	-60.3	155.6	169.6	29.1	-35	0	0	0	109.5	Y122 R162 C248	P120-Y122 HydrophobicContact CB-CE1 4.46Å; P120-Y122 HydrophobicContact CB-CE2 4.49Å; P120-Y122 HydrophobicContact CG-CE2 3.99Å; P120-Y122 WeakPolarHBondContact CG-OH 3.37Å; P120-R162 HydrophobicContact CB-CB 4.19Å; P120-C248 VanDerWaalsContact O-CB 3.22Å; P120-C248 WeakPolarHBondContact O-CB 3.14Å
121	R	97.4	Very high	94.1	Very high	25 Å²	25	41.5 Å²	41.5	9%	0.094	23%	0.227	C	C	.	.			trans	-105.6	147.3	173.6	-58.9	-179.1	-176.4	168.2	2.1	109.8	M112 K114 P115 M159 G160 A161 R162 P249	M112-R121 HydrophobicContact CE-CB 3.82Å; M112-R121 HydrophobicContact CE-CG 4.21Å; M112-R121 VanDerWaalsContact O-CZ 3.24Å; M112-R121 PolarHBondContact O-NH1 3.45Å; K114-R121 PolarHBondContact O-NH1 2.98Å; K114-R121 PolarHBondContact O-NH2 3.24Å; P115-R121 VanDerWaalsContact C-NH2 3.34Å; P115-R121 PolarHBondContact O-NH2 3.02Å; R121-M159 WeakPolarHBondContact CD-O 3.09Å; R121-G160 WeakPolarHBondContact CB-O 3.4Å; R121-A161 CarbonylContact O-C 3.59Å; R121-A161 WeakPolarHBondContact O-CA 3.45Å; R121-R162 PolarHBondContact O-N 3.08Å; R121-P249 WeakPolarHBondContact CA-O 3.45Å; R121-P249 HydrophobicContact CG-CB 4.2Å
122	Y	98.3	Very high	94.3	Very high	18 Å²	18	38.9 Å²	38.9	7%	0.071	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	145	179.1	-61.7	-62.2	0	0	0	112	P120 A163 Y165 L245 F246 C248 P249 T250 T251	P120-Y122 HydrophobicContact CB-CE1 4.46Å; P120-Y122 HydrophobicContact CB-CE2 4.49Å; P120-Y122 HydrophobicContact CG-CE2 3.99Å; P120-Y122 WeakPolarHBondContact CG-OH 3.37Å; Y122-A163 HydrophobicContact CD1-CB 4.25Å; Y122-A163 HydrophobicContact CE1-CB 4.38Å; Y122-Y165 HydrophobicContact CD1-CD2 4.28Å; Y122-Y165 AromaticContact CD1-CE2 3.66Å; Y122-Y165 HydrophobicContact CD1-CE2 3.66Å; Y122-Y165 AromaticContact CE1-CE2 3.93Å; Y122-Y165 HydrophobicContact CE1-CE2 3.93Å; Y122-Y165 HydrophobicContact CG-CE2 4.19Å; Y122-L245 HydrophobicContact CD2-CB 4.24Å; Y122-L245 HydrophobicContact CD2-CD2 4.22Å; Y122-L245 HydrophobicContact CD2-CG 4.39Å; Y122-L245 HydrophobicContact CG-CD2 4.23Å; Y122-F246 HydrophobicContact CE2-CD2 4.22Å; Y122-C248 HydrophobicContact CD2-CB 3.77Å; Y122-C248 HydrophobicContact CE2-CB 3.74Å; Y122-P249 PolarHBondContact N-O 3.41Å; Y122-T250 VanDerWaalsContact O-CA 3.28Å; Y122-T250 WeakPolarHBondContact O-CA 3.23Å; Y122-T251 PolarHBondContact O-N 3.5Å
123	L	98.5	Very high	94.5	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	132.4	163.1	174.3	55.2	0	0	0	107.3	I125 C152 A155 M159 A161 A163 A164 Y165 T253	L123-I125 HydrophobicContact CD1-CD1 4.02Å; L123-I125 HydrophobicContact CD2-CD1 3.97Å; L123-I125 HydrophobicContact CG-CD1 3.8Å; L123-C152 WeakPolarHBondContact CD2-O 3.49Å; L123-A155 HydrophobicContact CD2-CB 3.89Å; L123-M159 HydrophobicContact CD1-CE 3.57Å; L123-M159 HydrophobicContact CD2-CE 4.29Å; L123-M159 HydrophobicContact CG-CE 4.39Å; L123-A161 HydrophobicContact CB-CB 3.98Å; L123-A163 PolarHBondContact N-O 2.69Å; L123-A164 HydrophobicContact CB-CB 4.21Å; L123-A164 HydrophobicContact CD2-CB 4.33Å; L123-A164 HydrophobicContact CG-CB 4.31Å; L123-A164 CarbonylContact O-C 3.39Å; L123-A164 VanDerWaalsContact O-CA 3.22Å; L123-A164 WeakPolarHBondContact O-CA 3.37Å; L123-Y165 PolarHBondContact O-N 2.85Å; L123-T253 HydrophobicContact CD1-CG2 3.54Å
124	V	98.6	Very high	95	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	123.6	173.8	177.7	0	0	0	0	108.9	Y165 L222 L223 L226 L245 T250 T251 V252 T253	V124-Y165 CarbonylContact C-O 3.26Å; V124-Y165 WeakPolarHBondContact CA-O 3.41Å; V124-L222 HydrophobicContact CG1-CD2 3.2Å; V124-L223 HydrophobicContact CB-CD2 4.44Å; V124-L223 HydrophobicContact CG2-CD2 4.03Å; V124-L226 HydrophobicContact CG1-CD1 4.17Å; V124-L226 HydrophobicContact CG2-CD1 4.37Å; V124-L245 HydrophobicContact CG2-CB 4.46Å; V124-L245 HydrophobicContact CG2-CD2 3.98Å; V124-T250 HydrophobicContact CB-CG2 4.09Å; V124-T250 HydrophobicContact CG2-CG2 3.46Å; V124-T250 VanDerWaalsContact CG2-CG2 3.46Å; V124-T251 PolarHBondContact N-O 2.82Å; V124-V252 HydrophobicContact CB-CG2 4.14Å; V124-V252 HydrophobicContact CG1-CG2 4.37Å; V124-V252 CarbonylContact O-C 3.6Å; V124-V252 VanDerWaalsContact O-CA 3.25Å; V124-V252 WeakPolarHBondContact O-CA 3.38Å; V124-T253 PolarHBondContact O-N 3.21Å
125	I	98.6	Very high	95.9	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	120.9	177.4	-49.8	-55.5	0	0	0	108.2	L123 A127 L148 C152 Y165 I166 Y167 T253 V255 V258	L123-I125 HydrophobicContact CD1-CD1 4.02Å; L123-I125 HydrophobicContact CD2-CD1 3.97Å; L123-I125 HydrophobicContact CG-CD1 3.8Å; I125-A127 PolarHBondContact O-N 2.64Å; I125-L148 HydrophobicContact CG2-CD1 4.13Å; I125-C152 VanDerWaalsContact CG1-SG 3.57Å; I125-Y165 PolarHBondContact N-O 2.7Å; I125-I166 HydrophobicContact CB-CB 4.31Å; I125-I166 HydrophobicContact CB-CG1 4.04Å; I125-I166 HydrophobicContact CB-CG2 4.18Å; I125-I166 HydrophobicContact CG1-CG1 3.87Å; I125-I166 HydrophobicContact CG2-CG2 4.35Å; I125-Y167 PolarHBondContact O-N 3.37Å; I125-T253 CarbonylContact C-O 3.08Å; I125-T253 WeakPolarHBondContact CA-O 3.35Å; I125-T253 HydrophobicContact CD1-CG2 3.99Å; I125-V255 HydrophobicContact CG2-CB 4.46Å; I125-V255 HydrophobicContact CG2-CG2 3.69Å; I125-V258 HydrophobicContact CD1-CB 4.15Å; I125-V258 HydrophobicContact CD1-CG1 3.98Å; I125-V258 HydrophobicContact CD1-CG2 3.68Å
126	N	98.2	Very high	96.5	Very high	25 Å²	25	29.1 Å²	29.1	13%	0.134	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	99.4	172.2	-175.7	-6.3	0	0	0	109.4	D128 G217 L222 V252 T253 V255	N126-D128 PolarHBondContact OD1-N 3.45Å; N126-G217 PolarHBondContact ND2-O 2.92Å; N126-L222 HydrophobicContact CB-CD1 3.75Å; N126-V252 HydrophobicContact CB-CG1 3.88Å; N126-T253 PolarHBondContact N-O 2.84Å; N126-V255 PolarHBondContact O-N 3.24Å
127	A	98.3	Very high	97	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	23.8	177.7	0	0	0	0	0	111.5	I125 M141 I166 Y167 I168 R169 V255	I125-A127 PolarHBondContact O-N 2.64Å; A127-M141 HydrophobicContact CB-CE 4.18Å; A127-M141 HydrophobicContact CB-SD 3.58Å; A127-M141 VanDerWaalsContact CB-SD 3.58Å; A127-I166 HydrophobicContact CB-CG2 3.86Å; A127-Y167 CarbonylContact C-O 3.52Å; A127-Y167 WeakPolarHBondContact CA-O 3.29Å; A127-Y167 WeakPolarHBondContact CB-O 3.25Å; A127-Y167 PolarHBondContact N-O 3.29Å; A127-I168 HydrophobicContact CB-CB 4.34Å; A127-I168 HydrophobicContact CB-CG1 4.44Å; A127-R169 PolarHBondContact O-N 2.95Å; A127-V255 HydrophobicContact CB-CG2 3.52Å
128	D	97.2	Very high	97.4	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	14%	0.135	C	C	.	.			trans	-76.4	-40.4	180	-173.2	70.8	0	0	0	112.3	N126 G130 Y167 R169 G217	N126-D128 PolarHBondContact OD1-N 3.45Å; D128-G130 PolarHBondContact O-N 3.3Å; D128-Y167 HydrophobicContact CB-CD1 4.21Å; D128-Y167 HydrophobicContact CB-CE1 4.3Å; D128-Y167 PolarHBondContact N-O 3.13Å; D128-R169 WeakPolarHBondContact O-CB 3.38Å; D128-R169 WeakPolarHBondContact O-CD 3.14Å; D128-R169 WeakPolarHBondContact O-CG 3.4Å; D128-G217 PolarHBondContact OD2-N 3.2Å
129	E	96.5	Very high	97.7	Very high	12 Å²	12	20.4 Å²	20.4	6%	0.056	11%	0.109	C	C	.	.			trans	42.5	46.1	176.6	-161.7	173.6	-124.6	0	0	113.8	E131 T134 C135 K136 D137 R138 R169 F172	E129-E131 PolarHBondContact O-N 3.11Å; E129-T134 HydrophobicContact CG-CG2 3.81Å; E129-T134 WeakPolarHBondContact OE1-CG2 3.39Å; E129-C135 VanDerWaalsContact OE1-C 3.26Å; E129-C135 WeakPolarHBondContact OE1-CA 3Å; E129-C135 PolarHBondContact OE1-N 2.98Å; E129-C135 VanDerWaalsContact OE2-CA 3.3Å; E129-C135 WeakPolarHBondContact OE2-CA 3.44Å; E129-K136 WeakPolarHBondContact OE1-CG 3.46Å; E129-K136 PolarHBondContact OE1-N 3Å; E129-D137 HydrophobicContact CB-CB 4.24Å; E129-D137 HydrophobicContact CG-CB 4.35Å; E129-D137 WeakPolarHBondContact OE1-CB 3.23Å; E129-D137 PolarHBondContact OE1-N 3.33Å; E129-R138 VanDerWaalsContact OE2-CB 3.31Å; E129-R138 WeakPolarHBondContact OE2-CB 3.26Å; E129-R138 PolarHBondContact OE2-N 3.13Å; E129-R169 PolarHBondContact O-NH1 3.16Å; E129-F172 HydrophobicContact CB-CE2 4.01Å; E129-F172 HydrophobicContact CB-CZ 4.39Å
130	G	96	Very high	97.8	Very high	6 Å²	6	16.8 Å²	16.8	6%	0.062	10%	0.095	C	C	.	.			trans	-70.7	-15.4	176.9	0	0	0	0	0	114.4	D128 P132 Y214	D128-G130 PolarHBondContact O-N 3.3Å; G130-P132 WeakPolarHBondContact O-CD 3.5Å; G130-Y214 VanDerWaalsContact C-CD2 3.48Å
131	E	97.6	Very high	97.9	Very high	18 Å²	18	15.1 Å²	15.1	8%	0.084	8%	0.084	C	C	.	.	S	Bend	trans	-68	119.2	-170	-175.6	78	-168	0	0	112.3	E129 G133 T134 Y214 G331 S332 S333 T361	E129-E131 PolarHBondContact O-N 3.11Å; E131-G133 PolarHBondContact O-N 3.44Å; E131-T134 WeakPolarHBondContact CB-OG1 3.25Å; E131-T134 WeakPolarHBondContact CG-OG1 3.43Å; E131-T134 VanDerWaalsContact O-CB 3.24Å; E131-T134 WeakPolarHBondContact O-CB 3.46Å; E131-T134 PolarHBondContact O-N 2.55Å; E131-T134 PolarHBondContact O-OG1 2.9Å; E131-T134 VanDerWaalsContact O-OG1 3.1Å; E131-Y214 HydrophobicContact CB-CE2 4.17Å; E131-Y214 WeakPolarHBondContact OE2-CE2 3.43Å; E131-Y214 VanDerWaalsContact OE2-CZ 3.28Å; E131-Y214 PolarHBondContact OE2-OH 3.32Å; E131-G331 VanDerWaalsContact OE1-C 3.29Å; E131-S332 PolarHBondContact OE1-N 3.24Å; E131-S332 PolarHBondContact OE1-OG 2.93Å; E131-S333 WeakPolarHBondContact OE1-CB 3.4Å; E131-S333 PolarHBondContact OE1-N 3.27Å; E131-S333 PolarHBondContact OE1-OG 2.83Å; E131-T361 HydrophobicContact CB-CG2 4.29Å; E131-T361 HydrophobicContact CG-CG2 4.1Å
132	P	97.8	Very high	97.9	Very high	37 Å²	37	16.7 Å²	16.7	24%	0.24	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	132.1	177.4	-26	30.3	0	0	0	113.5	G130 T134 S332 F383	G130-P132 WeakPolarHBondContact O-CD 3.5Å; P132-T134 VanDerWaalsContact C-N 3.31Å; P132-S332 WeakPolarHBondContact CD-OG 3.47Å; P132-S332 VanDerWaalsContact CG-OG 3.29Å; P132-S332 WeakPolarHBondContact CG-OG 3.2Å; P132-S332 PolarHBondContact O-N 3.48Å; P132-F383 VanDerWaalsContact CD-CZ 3.41Å; P132-F383 HydrophobicContact CG-CD1 3.83Å; P132-F383 HydrophobicContact CG-CD2 4.06Å; P132-F383 HydrophobicContact CG-CE1 3.57Å; P132-F383 HydrophobicContact CG-CE2 3.79Å; P132-F383 HydrophobicContact CG-CG 4.08Å; P132-F383 HydrophobicContact CG-CZ 3.55Å
133	G	96.8	Very high	97.9	Very high	29 Å²	29	17.3 Å²	17.3	30%	0.299	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.7	-11.4	-175.7	0	0	0	0	0	114.4	E131 C287 A363	E131-G133 PolarHBondContact O-N 3.44Å; G133-C287 VanDerWaalsContact O-CB 3.26Å; G133-C287 WeakPolarHBondContact O-CB 3.37Å; G133-A363 VanDerWaalsContact O-CB 3.24Å; G133-A363 WeakPolarHBondContact O-CB 3.48Å
134	T	98.1	Very high	97.9	Very high	14 Å²	14	17.4 Å²	17.4	9%	0.086	9%	0.094	C	C	.	.			trans	-94.6	129.4	-176.7	-42.5	0	0	0	0	111.2	E129 E131 P132 K136 T361 A363	E129-T134 HydrophobicContact CG-CG2 3.81Å; E129-T134 WeakPolarHBondContact OE1-CG2 3.39Å; E131-T134 WeakPolarHBondContact CB-OG1 3.25Å; E131-T134 WeakPolarHBondContact CG-OG1 3.43Å; E131-T134 VanDerWaalsContact O-CB 3.24Å; E131-T134 WeakPolarHBondContact O-CB 3.46Å; E131-T134 PolarHBondContact O-N 2.55Å; E131-T134 PolarHBondContact O-OG1 2.9Å; E131-T134 VanDerWaalsContact O-OG1 3.1Å; P132-T134 VanDerWaalsContact C-N 3.31Å; T134-K136 HydrophobicContact CG2-CD 4.1Å; T134-K136 HydrophobicContact CG2-CG 3.97Å; T134-T361 HydrophobicContact CG2-CG2 3.97Å; T134-T361 PolarHBondContact OG1-OG1 3.4Å; T134-A363 WeakPolarHBondContact OG1-CB 3.16Å
135	C	98	Very high	97.9	Very high	41 Å²	41	17.4 Å²	17.4	28%	0.277	9%	0.094	S	C	.	.			trans	-148	20.4	177.9	56.2	0	0	0	0	113.1	E129 E139 C287 T297	E129-C135 VanDerWaalsContact OE1-C 3.26Å; E129-C135 WeakPolarHBondContact OE1-CA 3Å; E129-C135 PolarHBondContact OE1-N 2.98Å; E129-C135 VanDerWaalsContact OE2-CA 3.3Å; E129-C135 WeakPolarHBondContact OE2-CA 3.44Å; C135-E139 WeakPolarHBondContact O-CG 3.49Å; C135-E139 PolarHBondContact O-N 3.24Å; C135-C287 PolarHBondContact N-SG 3.14Å; C135-C287 VanDerWaalsContact N-SG 3.4Å; C135-T297 PolarHBondContact SG-OG1 3.05Å
136	K	98.3	Very high	97.9	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-76	-41.6	-176.4	61.8	-171	-171	67.8	0	112.4	R98 E129 T134 R138 E139 I140 N254 E256 L285 C287 T297 T361	R98-K136 WeakPolarHBondContact O-CE 3.46Å; R98-K136 PolarHBondContact O-NZ 3.32Å; E129-K136 WeakPolarHBondContact OE1-CG 3.46Å; E129-K136 PolarHBondContact OE1-N 3Å; T134-K136 HydrophobicContact CG2-CD 4.1Å; T134-K136 HydrophobicContact CG2-CG 3.97Å; K136-R138 VanDerWaalsContact C-N 3.32Å; K136-E139 PolarHBondContact O-N 3.45Å; K136-I140 WeakPolarHBondContact O-CG1 3.48Å; K136-I140 PolarHBondContact O-N 3.43Å; K136-N254 PolarHBondContact NZ-OD1 3.43Å; K136-E256 VanDerWaalsContact CD-OE2 3.25Å; K136-E256 WeakPolarHBondContact CD-OE2 3.4Å; K136-E256 VanDerWaalsContact CE-OE2 3.29Å; K136-E256 WeakPolarHBondContact CE-OE2 3.42Å; K136-E256 IonicContact NZ-OE2 3.21Å; K136-E256 PolarHBondContact NZ-OE2 2.62Å; K136-L285 HydrophobicContact CB-CB 3.67Å; K136-L285 HydrophobicContact CB-CD1 3.95Å; K136-L285 HydrophobicContact CB-CG 4.45Å; K136-L285 HydrophobicContact CD-CB 4.31Å; K136-C287 PolarHBondContact N-SG 2.88Å; K136-T297 HydrophobicContact CB-CG2 4.4Å; K136-T361 WeakPolarHBondContact CD-O 3.02Å; K136-T361 WeakPolarHBondContact CE-O 3.35Å
137	D	98.3	Very high	97.9	Very high	2 Å²	2	16.4 Å²	16.4	1%	0.011	9%	0.089	C	C	.	.	H	α-helix	trans	-70	-38.4	-179.4	-60.2	-24.7	0	0	0	108.9	E129 E139 I140 M141 N254 V255	E129-D137 HydrophobicContact CB-CB 4.24Å; E129-D137 HydrophobicContact CG-CB 4.35Å; E129-D137 WeakPolarHBondContact OE1-CB 3.23Å; E129-D137 PolarHBondContact OE1-N 3.33Å; D137-E139 VanDerWaalsContact C-N 3.32Å; D137-E139 PolarHBondContact O-N 3.34Å; D137-I140 PolarHBondContact O-N 2.89Å; D137-M141 HydrophobicContact CB-CE 4.35Å; D137-M141 WeakPolarHBondContact O-CE 3.48Å; D137-M141 WeakPolarHBondContact O-CG 3.47Å; D137-M141 PolarHBondContact O-N 2.88Å; D137-N254 PolarHBondContact OD1-OD1 3.14Å; D137-N254 VanDerWaalsContact OD1-OD1 3.1Å; D137-N254 PolarHBondContact OD2-ND2 3.01Å; D137-V255 HydrophobicContact CB-CB 3.94Å; D137-V255 HydrophobicContact CB-CG1 4.31Å; D137-V255 HydrophobicContact CB-CG2 4.12Å
138	R	98.4	Very high	97.9	Very high	76 Å²	76	16.4 Å²	16.4	29%	0.287	9%	0.089	S	C	.	.	H	α-helix	trans	-51	-49.3	168.4	-179.2	173	-178.6	-98.8	-7.5	112.3	E129 K136 I140 M141 R142 F172 E175	E129-R138 VanDerWaalsContact OE2-CB 3.31Å; E129-R138 WeakPolarHBondContact OE2-CB 3.26Å; E129-R138 PolarHBondContact OE2-N 3.13Å; K136-R138 VanDerWaalsContact C-N 3.32Å; R138-I140 PolarHBondContact O-N 3.33Å; R138-M141 PolarHBondContact O-N 3.28Å; R138-R142 VanDerWaalsContact NH1-CZ 3.3Å; R138-R142 VanDerWaalsContact NH1-NH1 3.11Å; R138-R142 VanDerWaalsContact NH2-NH1 3.17Å; R138-R142 VanDerWaalsContact O-CG 3.23Å; R138-R142 WeakPolarHBondContact O-CG 3.43Å; R138-R142 PolarHBondContact O-N 3.32Å; R138-R142 VanDerWaalsContact O-N 3.11Å; R138-F172 HydrophobicContact CB-CE1 4.43Å; R138-F172 HydrophobicContact CB-CE2 4.03Å; R138-F172 HydrophobicContact CB-CZ 3.86Å; R138-F172 HydrophobicContact CG-CE1 4.31Å; R138-F172 HydrophobicContact CG-CZ 4.23Å; R138-E175 HydrophobicContact CG-CG 4Å; R138-E175 IonicContact CZ-OE1 3.14Å; R138-E175 VanDerWaalsContact CZ-OE1 3.28Å; R138-E175 IonicContact NE-OE1 2.9Å; R138-E175 PolarHBondContact NE-OE1 2.9Å; R138-E175 IonicContact NH2-OE1 3.16Å; R138-E175 PolarHBondContact NH2-OE1 2.94Å
139	E	98.4	Very high	98	Very high	14 Å²	14	16.4 Å²	16.4	7%	0.065	9%	0.089	C	C	.	.	H	α-helix	trans	-60.4	-44.2	178.7	-61.9	-47.2	134.8	0	0	112.5	L55 C135 K136 D137 M141 R142 H143 T297	L55-E139 HydrophobicContact CD1-CB 3.48Å; L55-E139 VanDerWaalsContact CD1-CB 3.48Å; L55-E139 HydrophobicContact CD1-CG 4.08Å; L55-E139 HydrophobicContact CG-CB 4.3Å; C135-E139 WeakPolarHBondContact O-CG 3.49Å; C135-E139 PolarHBondContact O-N 3.24Å; K136-E139 PolarHBondContact O-N 3.45Å; D137-E139 VanDerWaalsContact C-N 3.32Å; D137-E139 PolarHBondContact O-N 3.34Å; E139-M141 PolarHBondContact O-N 3.17Å; E139-R142 VanDerWaalsContact CD-NE 3.33Å; E139-R142 PolarHBondContact O-N 3.44Å; E139-R142 IonicContact OE1-CZ 3.66Å; E139-R142 IonicContact OE1-NE 2.94Å; E139-R142 PolarHBondContact OE1-NE 3.41Å; E139-R142 IonicContact OE1-NH2 3.34Å; E139-R142 PolarHBondContact OE1-NH2 2.85Å; E139-R142 IonicContact OE2-CZ 2.68Å; E139-R142 IonicContact OE2-NE 2.85Å; E139-R142 PolarHBondContact OE2-NE 2.66Å; E139-R142 IonicContact OE2-NH2 3.61Å; E139-R142 PolarHBondContact OE2-NH2 2.79Å; E139-H143 WeakPolarHBondContact O-CB 3.38Å; E139-H143 PolarHBondContact O-N 3.45Å; E139-H143 IonicContact OE2-CE1 3.68Å; E139-H143 PolarHBondContact OE2-CE1 3.42Å; E139-H143 IonicContact OE2-ND1 3.82Å; E139-H143 PolarHBondContact OE2-ND1 2.87Å; E139-H143 VanDerWaalsContact OE2-ND1 3.1Å; E139-T297 HydrophobicContact CG-CG2 4.14Å
140	I	98.6	Very high	98.1	Very high	1 Å²	1	15.9 Å²	15.9	1%	0.005	9%	0.086	C	C	.	.	H	α-helix	trans	-61	-48	178.7	-61.7	168.4	0	0	0	110.2	F52 K136 D137 R138 R142 D144 L148 V255 E256 A259 L285	F52-I140 HydrophobicContact CD1-CD1 4.16Å; F52-I140 HydrophobicContact CD1-CG1 3.82Å; F52-I140 HydrophobicContact CE1-CD1 3.47Å; F52-I140 VanDerWaalsContact CE1-CD1 3.47Å; F52-I140 HydrophobicContact CE1-CG1 3.62Å; F52-I140 HydrophobicContact CE1-CG2 4.3Å; F52-I140 HydrophobicContact CE2-CD1 4.46Å; F52-I140 HydrophobicContact CZ-CD1 3.65Å; F52-I140 HydrophobicContact CZ-CG1 4.25Å; K136-I140 WeakPolarHBondContact O-CG1 3.48Å; K136-I140 PolarHBondContact O-N 3.43Å; D137-I140 PolarHBondContact O-N 2.89Å; R138-I140 PolarHBondContact O-N 3.33Å; I140-R142 PolarHBondContact O-N 3.06Å; I140-D144 CarbonylContact O-C 3.48Å; I140-D144 WeakPolarHBondContact O-CA 3.34Å; I140-D144 PolarHBondContact O-N 3.42Å; I140-L148 HydrophobicContact CG2-CB 4.18Å; I140-V255 HydrophobicContact CB-CG1 3.77Å; I140-V255 HydrophobicContact CD1-CG1 3.78Å; I140-V255 HydrophobicContact CG1-CG1 4.38Å; I140-V255 HydrophobicContact CG2-CG1 3.61Å; I140-E256 HydrophobicContact CD1-CB 3.94Å; I140-E256 HydrophobicContact CD1-CG 4.37Å; I140-A259 HydrophobicContact CG2-CB 4.03Å; I140-L285 HydrophobicContact CD1-CD1 3.68Å; I140-L285 HydrophobicContact CG1-CD1 3.93Å
141	M	98.3	Very high	98.3	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-64.5	-37.2	-177	-71	-174.5	-74.5	0	0	113.2	A127 D137 R138 E139 L148 I168 F172 E175	A127-M141 HydrophobicContact CB-CE 4.18Å; A127-M141 HydrophobicContact CB-SD 3.58Å; A127-M141 VanDerWaalsContact CB-SD 3.58Å; D137-M141 HydrophobicContact CB-CE 4.35Å; D137-M141 WeakPolarHBondContact O-CE 3.48Å; D137-M141 WeakPolarHBondContact O-CG 3.47Å; D137-M141 PolarHBondContact O-N 2.88Å; R138-M141 PolarHBondContact O-N 3.28Å; E139-M141 PolarHBondContact O-N 3.17Å; M141-L148 HydrophobicContact CG-CD2 4.23Å; M141-I168 HydrophobicContact CE-CD1 4.23Å; M141-I168 HydrophobicContact CE-CG1 4.15Å; M141-I168 HydrophobicContact SD-CD1 3.47Å; M141-I168 WeakPolarHBondContact SD-CD1 3.46Å; M141-I168 HydrophobicContact SD-CG1 3.66Å; M141-F172 HydrophobicContact CE-CD2 3.56Å; M141-F172 HydrophobicContact CE-CE2 3.85Å; M141-E175 HydrophobicContact CB-CB 4.23Å
142	R	97.8	Very high	98.3	Very high	58 Å²	58	14.7 Å²	14.7	22%	0.219	8%	0.079	C	C	.	.	H	α-helix	trans	-86.5	-33.2	-177.9	66	-172.2	-173.3	152.7	-1.1	114.7	R138 E139 I140 E175 N178	R138-R142 VanDerWaalsContact NH1-CZ 3.3Å; R138-R142 VanDerWaalsContact NH1-NH1 3.11Å; R138-R142 VanDerWaalsContact NH2-NH1 3.17Å; R138-R142 VanDerWaalsContact O-CG 3.23Å; R138-R142 WeakPolarHBondContact O-CG 3.43Å; R138-R142 PolarHBondContact O-N 3.32Å; R138-R142 VanDerWaalsContact O-N 3.11Å; E139-R142 VanDerWaalsContact CD-NE 3.33Å; E139-R142 PolarHBondContact O-N 3.44Å; E139-R142 IonicContact OE1-CZ 3.66Å; E139-R142 IonicContact OE1-NE 2.94Å; E139-R142 PolarHBondContact OE1-NE 3.41Å; E139-R142 IonicContact OE1-NH2 3.34Å; E139-R142 PolarHBondContact OE1-NH2 2.85Å; E139-R142 IonicContact OE2-CZ 2.68Å; E139-R142 IonicContact OE2-NE 2.85Å; E139-R142 PolarHBondContact OE2-NE 2.66Å; E139-R142 IonicContact OE2-NH2 3.61Å; E139-R142 PolarHBondContact OE2-NH2 2.79Å; I140-R142 PolarHBondContact O-N 3.06Å; R142-E175 HydrophobicContact CB-CG 4.14Å; R142-N178 PolarHBondContact O-ND2 3.01Å
143	H	98.4	Very high	98.4	Very high	30 Å²	30	13 Å²	13	14%	0.139	7%	0.068	C	C	.	.	H	α-helix	trans	-112.6	-22.8	-170.1	-58.4	150.4	0	0	0	114.9	N54 L55 G57 W61 E139	N54-H143 PolarHBondContact ND2-O 3.46Å; N54-H143 WeakPolarHBondContact O-CB 3.46Å; L55-H143 PolarHBondContact O-ND1 3.41Å; G57-H143 VanDerWaalsContact CA-CD2 3.46Å; G57-H143 WeakPolarHBondContact CA-CD2 3.5Å; G57-H143 VanDerWaalsContact CA-CG 3.5Å; G57-H143 PolarHBondContact N-ND1 3.35Å; W61-H143 WeakPolarHBondContact CB-O 3.5Å; E139-H143 WeakPolarHBondContact O-CB 3.38Å; E139-H143 PolarHBondContact O-N 3.45Å; E139-H143 IonicContact OE2-CE1 3.68Å; E139-H143 PolarHBondContact OE2-CE1 3.42Å; E139-H143 IonicContact OE2-ND1 3.82Å; E139-H143 PolarHBondContact OE2-ND1 2.87Å; E139-H143 VanDerWaalsContact OE2-ND1 3.1Å
144	D	97.5	Very high	98.4	Very high	2 Å²	2	11.6 Å²	11.6	1%	0.011	5%	0.053	C	C	.	.			trans	-136	48.9	177	-84.9	-38.3	0	0	0	112.8	N54 R69 I140 H146 K147	N54-D144 WeakPolarHBondContact CA-OD2 3.35Å; N54-D144 VanDerWaalsContact CB-OD1 3.25Å; N54-D144 WeakPolarHBondContact CB-OD1 3.41Å; N54-D144 WeakPolarHBondContact CB-OD2 3.31Å; N54-D144 PolarHBondContact N-OD2 3.47Å; R69-D144 IonicContact CZ-OD1 3.75Å; R69-D144 IonicContact NE-OD1 3.84Å; R69-D144 PolarHBondContact NE-OD1 3.07Å; R69-D144 IonicContact NH2-OD1 3.19Å; R69-D144 PolarHBondContact NH2-OD1 3.23Å; I140-D144 CarbonylContact O-C 3.48Å; I140-D144 WeakPolarHBondContact O-CA 3.34Å; I140-D144 PolarHBondContact O-N 3.42Å; D144-H146 VanDerWaalsContact C-N 3.31Å; D144-H146 PolarHBondContact O-N 3.45Å; D144-K147 HydrophobicContact CB-CB 4.38Å; D144-K147 WeakPolarHBondContact O-CB 3.34Å; D144-K147 PolarHBondContact O-N 3.21Å
145	P	98.6	Very high	98.5	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-62.2	-34.8	-175	24	-33	0	0	0	113.1	W61 K147 L148 L149 L179 A182	W61-P145 HydrophobicContact CE3-CG 3.58Å; W61-P145 HydrophobicContact CZ3-CG 4.09Å; P145-K147 VanDerWaalsContact C-N 3.26Å; P145-K147 PolarHBondContact O-N 2.97Å; P145-L148 WeakPolarHBondContact O-CB 3.33Å; P145-L148 PolarHBondContact O-N 2.63Å; P145-L148 VanDerWaalsContact O-N 3.09Å; P145-L149 WeakPolarHBondContact O-CG 3.46Å; P145-L149 PolarHBondContact O-N 3.01Å; P145-L179 HydrophobicContact CB-CD1 3.85Å; P145-A182 HydrophobicContact CB-CB 3.76Å; P145-A182 HydrophobicContact CG-CB 3.74Å
146	H	98.8	Very high	98.5	Very high	0 Å²	0	9 Å²	9	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-61.8	-32.5	179	-80.9	-75.3	0	0	0	113.5	L63 A66 W72 D144 L148 L149 E150 A182 E185	L63-H146 WeakPolarHBondContact CA-NE2 3.36Å; L63-H146 PolarHBondContact N-CD2 2.66Å; L63-H146 PolarHBondContact N-NE2 2.62Å; L63-H146 VanDerWaalsContact N-NE2 3.1Å; A66-H146 HydrophobicContact CB-CB 3.49Å; A66-H146 VanDerWaalsContact CB-CB 3.49Å; W72-H146 AromaticContact NE1-CG 3.74Å; W72-H146 AromaticContact NE1-ND1 3.32Å; W72-H146 PolarHBondContact NE1-ND1 3.21Å; D144-H146 VanDerWaalsContact C-N 3.31Å; D144-H146 PolarHBondContact O-N 3.45Å; H146-L148 VanDerWaalsContact C-N 3.35Å; H146-L149 PolarHBondContact O-N 3.47Å; H146-E150 WeakPolarHBondContact O-CB 3.42Å; H146-E150 PolarHBondContact O-N 3.32Å; H146-A182 PolarHBondContact CE1-O 3.1Å; H146-A182 VanDerWaalsContact CE1-O 3.29Å; H146-E185 IonicContact CE1-OE2 2.84Å; H146-E185 IonicContact NE2-OE2 3.2Å; H146-E185 PolarHBondContact NE2-OE2 2.59Å
147	K	98.7	Very high	98.4	Very high	5 Å²	5	9.7 Å²	9.7	2%	0.022	4%	0.041	C	C	.	.	H	α-helix	trans	-65.9	-39.1	174.8	-170.4	-179.5	-58.4	-69.1	0	111.5	I51 F52 D71 D144 P145 G151 A259	I51-K147 HydrophobicContact CG2-CD 4.15Å; I51-K147 WeakPolarHBondContact O-CE 3.31Å; I51-K147 PolarHBondContact O-NZ 3.38Å; I51-K147 VanDerWaalsContact O-NZ 3.12Å; F52-K147 HydrophobicContact CD1-CD 3.93Å; F52-K147 HydrophobicContact CE1-CD 4.06Å; D71-K147 IonicContact OD1-NZ 2.74Å; D71-K147 PolarHBondContact OD1-NZ 3.31Å; D71-K147 IonicContact OD2-NZ 3.21Å; D144-K147 HydrophobicContact CB-CB 4.38Å; D144-K147 WeakPolarHBondContact O-CB 3.34Å; D144-K147 PolarHBondContact O-N 3.21Å; P145-K147 VanDerWaalsContact C-N 3.26Å; P145-K147 PolarHBondContact O-N 2.97Å; K147-G151 PolarHBondContact O-N 2.97Å; K147-A259 HydrophobicContact CG-CB 4.47Å; K147-A259 WeakPolarHBondContact CG-O 3.46Å
148	L	98.8	Very high	98.4	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-63.6	-47.6	171.7	173.4	59.4	0	0	0	111.3	I125 I140 M141 P145 H146 E150 G151 C152 I166 L179 V255 V258 A259	I125-L148 HydrophobicContact CG2-CD1 4.13Å; I140-L148 HydrophobicContact CG2-CB 4.18Å; M141-L148 HydrophobicContact CG-CD2 4.23Å; P145-L148 WeakPolarHBondContact O-CB 3.33Å; P145-L148 PolarHBondContact O-N 2.63Å; P145-L148 VanDerWaalsContact O-N 3.09Å; H146-L148 VanDerWaalsContact C-N 3.35Å; L148-E150 PolarHBondContact O-N 3.41Å; L148-G151 CarbonylContact O-C 3.35Å; L148-G151 WeakPolarHBondContact O-CA 3.18Å; L148-G151 PolarHBondContact O-N 3.23Å; L148-G151 VanDerWaalsContact O-N 3.1Å; L148-C152 PolarHBondContact O-N 2.83Å; L148-C152 PolarHBondContact O-SG 2.59Å; L148-I166 HydrophobicContact CD2-CD1 4.28Å; L148-L179 HydrophobicContact CD2-CD1 4.24Å; L148-V255 HydrophobicContact CD1-CB 4.49Å; L148-V255 HydrophobicContact CD1-CG1 4.02Å; L148-V255 HydrophobicContact CD2-CG1 4.01Å; L148-V255 HydrophobicContact CD2-CG2 4.38Å; L148-V255 HydrophobicContact CG-CG1 4.48Å; L148-V258 HydrophobicContact CD1-CB 4.39Å; L148-V258 HydrophobicContact CD1-CG1 4.28Å; L148-A259 HydrophobicContact CB-CB 4.39Å; L148-A259 HydrophobicContact CD1-CB 4.46Å
149	L	98.8	Very high	98.3	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-62.6	-41.4	-179.1	-62.4	-178.8	0	0	0	112.6	W72 P145 H146 G151 C152 L153 I166 L179 A182 I183 A186 I205	W72-L149 HydrophobicContact CH2-CB 4.34Å; W72-L149 HydrophobicContact CZ2-CB 3.82Å; P145-L149 WeakPolarHBondContact O-CG 3.46Å; P145-L149 PolarHBondContact O-N 3.01Å; H146-L149 PolarHBondContact O-N 3.47Å; L149-G151 VanDerWaalsContact C-N 3.3Å; L149-G151 PolarHBondContact O-N 3.23Å; L149-C152 WeakPolarHBondContact O-CB 3.43Å; L149-C152 PolarHBondContact O-N 2.62Å; L149-L153 PolarHBondContact O-N 2.79Å; L149-L153 VanDerWaalsContact O-N 3.1Å; L149-I166 HydrophobicContact CD2-CD1 3.97Å; L149-L179 HydrophobicContact CD2-CD1 3.85Å; L149-L179 HydrophobicContact CG-CD1 4.26Å; L149-A182 HydrophobicContact CD1-CB 3.86Å; L149-I183 HydrophobicContact CD1-CB 4.42Å; L149-I183 HydrophobicContact CD1-CG1 3.72Å; L149-I183 HydrophobicContact CD2-CD1 4.03Å; L149-I183 HydrophobicContact CD2-CG1 3.47Å; L149-I183 VanDerWaalsContact CD2-CG1 3.47Å; L149-I183 HydrophobicContact CG-CG1 4.24Å; L149-A186 HydrophobicContact CD1-CB 4.34Å; L149-I205 HydrophobicContact CB-CD1 4.26Å; L149-I205 HydrophobicContact CD2-CD1 3.88Å; L149-I205 HydrophobicContact CD2-CG2 4.12Å
150	E	98.8	Very high	98.2	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-62	-41.8	172.7	-173.2	-179	-161.5	0	0	111	W72 T75 H146 L148 C152 L153 I154 P262 R266	W72-E150 WeakPolarHBondContact CA-OE1 3.39Å; W72-E150 HydrophobicContact CD2-CB 4.02Å; W72-E150 HydrophobicContact CD2-CG 4.19Å; W72-E150 HydrophobicContact CE3-CB 4.03Å; W72-E150 HydrophobicContact CE3-CG 3.88Å; W72-E150 VanDerWaalsContact CH2-CA 3.49Å; W72-E150 HydrophobicContact CH2-CB 3.97Å; W72-E150 HydrophobicContact CZ2-CB 3.94Å; W72-E150 HydrophobicContact CZ3-CB 4.01Å; W72-E150 HydrophobicContact CZ3-CG 4.05Å; W72-E150 VanDerWaalsContact N-CD 3.27Å; W72-E150 PolarHBondContact N-OE1 3.37Å; W72-E150 PolarHBondContact N-OE2 2.71Å; T75-E150 HydrophobicContact CG2-CG 3.97Å; T75-E150 PolarHBondContact OG1-OE1 3.49Å; H146-E150 WeakPolarHBondContact O-CB 3.42Å; H146-E150 PolarHBondContact O-N 3.32Å; L148-E150 PolarHBondContact O-N 3.41Å; E150-C152 VanDerWaalsContact C-N 3.34Å; E150-C152 PolarHBondContact O-N 3.23Å; E150-L153 PolarHBondContact O-N 3.41Å; E150-I154 HydrophobicContact CG-CD1 4.1Å; E150-I154 PolarHBondContact O-N 3.36Å; E150-P262 HydrophobicContact CB-CB 4.45Å; E150-P262 HydrophobicContact CB-CG 3.98Å; E150-P262 HydrophobicContact CG-CB 3.84Å; E150-P262 HydrophobicContact CG-CG 3.79Å; E150-P262 WeakPolarHBondContact OE2-CB 3.45Å; E150-R266 IonicContact OE1-CZ 3.9Å; E150-R266 IonicContact OE1-NH1 2.92Å; E150-R266 PolarHBondContact OE1-NH1 3.49Å; E150-R266 IonicContact OE1-NH2 3.98Å; E150-R266 IonicContact OE2-CZ 3.48Å; E150-R266 IonicContact OE2-NH1 3.37Å; E150-R266 PolarHBondContact OE2-NH1 2.73Å; E150-R266 IonicContact OE2-NH2 3.9Å; E150-R266 PolarHBondContact OE2-NH2 2.66Å
151	G	98.7	Very high	98.1	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-59.1	-42.8	173.3	0	0	0	0	0	112.6	K147 L148 L149 L153 I154 A155 V258 P262	K147-G151 PolarHBondContact O-N 2.97Å; L148-G151 CarbonylContact O-C 3.35Å; L148-G151 WeakPolarHBondContact O-CA 3.18Å; L148-G151 PolarHBondContact O-N 3.23Å; L148-G151 VanDerWaalsContact O-N 3.1Å; L149-G151 VanDerWaalsContact C-N 3.3Å; L149-G151 PolarHBondContact O-N 3.23Å; G151-L153 VanDerWaalsContact C-N 3.3Å; G151-L153 PolarHBondContact O-N 3.3Å; G151-I154 PolarHBondContact O-N 2.83Å; G151-A155 WeakPolarHBondContact O-CB 3.38Å; G151-A155 PolarHBondContact O-N 2.99Å; G151-V258 WeakPolarHBondContact CA-O 3.5Å; G151-V258 WeakPolarHBondContact O-CG1 3.33Å; G151-P262 VanDerWaalsContact CA-CG 3.45Å; G151-P262 VanDerWaalsContact N-CG 3.3Å
152	C	98.8	Very high	98.1	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-58.3	-44.2	175.3	-67.9	0	0	0	0	111	L123 I125 L148 L149 E150 G156 A164 F203 I205	L123-C152 WeakPolarHBondContact CD2-O 3.49Å; I125-C152 VanDerWaalsContact CG1-SG 3.57Å; L148-C152 PolarHBondContact O-N 2.83Å; L148-C152 PolarHBondContact O-SG 2.59Å; L149-C152 WeakPolarHBondContact O-CB 3.43Å; L149-C152 PolarHBondContact O-N 2.62Å; E150-C152 VanDerWaalsContact C-N 3.34Å; E150-C152 PolarHBondContact O-N 3.23Å; C152-G156 VanDerWaalsContact O-CA 3.29Å; C152-G156 WeakPolarHBondContact O-CA 3.3Å; C152-G156 PolarHBondContact O-N 2.78Å; C152-A164 HydrophobicContact CB-CB 4.07Å; C152-F203 HydrophobicContact CB-CE1 4.12Å; C152-F203 HydrophobicContact CB-CZ 4.48Å; C152-F203 WeakPolarHBondContact O-CE1 3.39Å; C152-F203 WeakPolarHBondContact O-CZ 3.46Å; C152-I205 HydrophobicContact CB-CD1 3.78Å
153	L	98.8	Very high	98.1	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-65.6	-47	179.2	179	61.1	0	0	0	112.2	W72 T75 L79 L149 E150 G151 G156 S157 L191 A196 Y201 F203	W72-L153 HydrophobicContact CH2-CD2 4.44Å; W72-L153 HydrophobicContact CZ3-CD2 3.77Å; T75-L153 HydrophobicContact CG2-CD2 4.08Å; L79-L153 HydrophobicContact CD1-CD1 4.37Å; L79-L153 HydrophobicContact CD1-CD2 3.85Å; L79-L153 HydrophobicContact CD1-CG 4.07Å; L79-L153 HydrophobicContact CD2-CG 4.19Å; L149-L153 PolarHBondContact O-N 2.79Å; L149-L153 VanDerWaalsContact O-N 3.1Å; E150-L153 PolarHBondContact O-N 3.41Å; G151-L153 VanDerWaalsContact C-N 3.3Å; G151-L153 PolarHBondContact O-N 3.3Å; L153-G156 PolarHBondContact O-N 3.17Å; L153-S157 PolarHBondContact O-N 3.24Å; L153-L191 WeakPolarHBondContact CD2-O 3.38Å; L153-A196 HydrophobicContact CD1-CB 3.66Å; L153-A196 HydrophobicContact CD2-CB 4.1Å; L153-Y201 HydrophobicContact CD1-CD1 4.06Å; L153-Y201 HydrophobicContact CD1-CE1 4.42Å; L153-F203 HydrophobicContact CB-CD1 4.21Å; L153-F203 HydrophobicContact CB-CE1 4.34Å; L153-F203 HydrophobicContact CD1-CB 3.65Å; L153-F203 HydrophobicContact CD1-CD1 3.62Å; L153-F203 HydrophobicContact CD1-CE1 4.45Å; L153-F203 HydrophobicContact CD1-CG 3.77Å
154	I	98.6	Very high	98.1	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-66.9	-48.6	-179.3	-71.2	174.6	0	0	0	111.2	T75 I78 L79 I86 E150 G151 G156 S157 A158 P262	T75-I154 HydrophobicContact CG2-CD1 4.27Å; T75-I154 HydrophobicContact CG2-CG1 4.2Å; I78-I154 HydrophobicContact CD1-CD1 4.25Å; I78-I154 HydrophobicContact CG2-CD1 3.95Å; I78-I154 HydrophobicContact CG2-CG1 4.07Å; I78-I154 HydrophobicContact CG2-CG2 4.31Å; L79-I154 HydrophobicContact CD2-CG1 4.48Å; I86-I154 HydrophobicContact CD1-CG2 4.35Å; I86-I154 HydrophobicContact CG2-CG2 3.73Å; E150-I154 HydrophobicContact CG-CD1 4.1Å; E150-I154 PolarHBondContact O-N 3.36Å; G151-I154 PolarHBondContact O-N 2.83Å; I154-G156 VanDerWaalsContact C-N 3.29Å; I154-G156 PolarHBondContact O-N 2.85Å; I154-S157 PolarHBondContact O-N 2.84Å; I154-S157 PolarHBondContact O-OG 2.77Å; I154-A158 WeakPolarHBondContact O-CB 3.49Å; I154-A158 PolarHBondContact O-N 2.95Å; I154-P262 HydrophobicContact CD1-CB 3.67Å; I154-P262 HydrophobicContact CD1-CG 3.99Å
155	A	98.3	Very high	98.2	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-64.1	-38.1	175.9	0	0	0	0	0	111.2	W109 L123 G151 A158 M159 V258	W109-A155 HydrophobicContact CH2-CB 3.61Å; W109-A155 HydrophobicContact CZ2-CB 3.79Å; W109-A155 HydrophobicContact CZ3-CB 4.05Å; L123-A155 HydrophobicContact CD2-CB 3.89Å; G151-A155 WeakPolarHBondContact O-CB 3.38Å; G151-A155 PolarHBondContact O-N 2.99Å; A155-A158 WeakPolarHBondContact O-CB 3.33Å; A155-A158 PolarHBondContact O-N 2.87Å; A155-M159 HydrophobicContact CB-CE 3.92Å; A155-M159 WeakPolarHBondContact O-CE 3.4Å; A155-M159 PolarHBondContact O-N 2.8Å; A155-M159 VanDerWaalsContact O-N 3.1Å; A155-V258 HydrophobicContact CB-CG1 4.37Å
156	G	98.1	Very high	98.2	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-60	-51.6	176.4	0	0	0	0	0	112.2	C152 L153 I154 A158 M159 G160 A161 Y201	C152-G156 VanDerWaalsContact O-CA 3.29Å; C152-G156 WeakPolarHBondContact O-CA 3.3Å; C152-G156 PolarHBondContact O-N 2.78Å; L153-G156 PolarHBondContact O-N 3.17Å; I154-G156 VanDerWaalsContact C-N 3.29Å; I154-G156 PolarHBondContact O-N 2.85Å; G156-A158 VanDerWaalsContact C-N 3.33Å; G156-A158 PolarHBondContact O-N 3.37Å; G156-M159 CarbonylContact O-C 3.57Å; G156-M159 PolarHBondContact O-N 2.74Å; G156-G160 PolarHBondContact O-N 2.65Å; G156-A161 PolarHBondContact O-N 2.65Å; G156-Y201 PolarHBondContact O-OH 2.94Å
157	S	97.6	Very high	98.2	Very high	16 Å²	16	12.4 Å²	12.4	11%	0.112	6%	0.061	C	C	.	.	H	α-helix	trans	-65.5	-36.8	178.2	85.7	0	0	0	0	112.2	L79 I86 L153 I154 M159 G160	L79-S157 WeakPolarHBondContact CD2-OG 3.21Å; I86-S157 WeakPolarHBondContact CD1-OG 3.37Å; L153-S157 PolarHBondContact O-N 3.24Å; I154-S157 PolarHBondContact O-N 2.84Å; I154-S157 PolarHBondContact O-OG 2.77Å; S157-M159 VanDerWaalsContact C-N 3.25Å; S157-M159 PolarHBondContact O-N 3.02Å; S157-G160 PolarHBondContact O-N 2.75Å
158	A	97.4	Very high	98.2	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-58.7	-37	174.5	0	0	0	0	0	112.4	S83 I86 I87 W109 I154 A155 G156	S83-A158 WeakPolarHBondContact CB-O 3.36Å; S83-A158 PolarHBondContact OG-O 3.21Å; I86-A158 HydrophobicContact CB-CB 3.97Å; I86-A158 HydrophobicContact CD1-CB 4.43Å; I86-A158 HydrophobicContact CG2-CB 3.63Å; I87-A158 WeakPolarHBondContact CD1-O 3.33Å; I87-A158 HydrophobicContact CG1-CB 4.06Å; W109-A158 HydrophobicContact CE3-CB 4.39Å; I154-A158 WeakPolarHBondContact O-CB 3.49Å; I154-A158 PolarHBondContact O-N 2.95Å; A155-A158 WeakPolarHBondContact O-CB 3.33Å; A155-A158 PolarHBondContact O-N 2.87Å; G156-A158 VanDerWaalsContact C-N 3.33Å; G156-A158 PolarHBondContact O-N 3.37Å
159	M	96.8	Very high	98.1	Very high	1 Å²	1	14.9 Å²	14.9	1%	0.005	7%	0.07	C	C	.	.	H	α-helix	trans	-96.1	-2.7	-179.4	-67.6	-179.2	-81.1	0	0	113.8	W109 M112 R121 L123 A155 G156 S157 A161 T251	W109-M159 HydrophobicContact CB-CG 3.87Å; W109-M159 HydrophobicContact CB-SD 3.88Å; W109-M159 HydrophobicContact CD2-CE 4.35Å; W109-M159 HydrophobicContact CG-CE 4.17Å; W109-M159 HydrophobicContact CG-CG 4.29Å; W109-M159 HydrophobicContact CG-SD 3.83Å; M112-M159 HydrophobicContact CB-CB 3.79Å; M112-M159 HydrophobicContact CB-CG 3.95Å; M112-M159 HydrophobicContact CB-SD 4.43Å; M112-M159 HydrophobicContact CG-CB 4.11Å; M112-M159 HydrophobicContact CG-CG 4.07Å; M112-M159 HydrophobicContact CG-SD 3.88Å; R121-M159 WeakPolarHBondContact CD-O 3.09Å; L123-M159 HydrophobicContact CD1-CE 3.57Å; L123-M159 HydrophobicContact CD2-CE 4.29Å; L123-M159 HydrophobicContact CG-CE 4.39Å; A155-M159 HydrophobicContact CB-CE 3.92Å; A155-M159 WeakPolarHBondContact O-CE 3.4Å; A155-M159 PolarHBondContact O-N 2.8Å; A155-M159 VanDerWaalsContact O-N 3.1Å; G156-M159 CarbonylContact O-C 3.57Å; G156-M159 PolarHBondContact O-N 2.74Å; S157-M159 VanDerWaalsContact C-N 3.25Å; S157-M159 PolarHBondContact O-N 3.02Å; M159-A161 VanDerWaalsContact C-N 3.3Å; M159-T251 HydrophobicContact CE-CG2 4.44Å; M159-T251 VanDerWaalsContact SD-CB 3.6Å; M159-T251 HydrophobicContact SD-CG2 3.83Å
160	G	95.9	Very high	98	Very high	34 Å²	34	15.3 Å²	15.3	35%	0.351	8%	0.075	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.7	33.6	-172.2	0	0	0	0	0	113	R121 G156 S157	R121-G160 WeakPolarHBondContact CB-O 3.4Å; G156-G160 PolarHBondContact O-N 2.65Å; S157-G160 PolarHBondContact O-N 2.75Å
161	A	97.5	Very high	98	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.097	C	C	.	.			trans	-76.8	124.3	-179.5	0	0	0	0	0	111.5	R121 L123 G156 M159 A163 Y201 F203	R121-A161 CarbonylContact O-C 3.59Å; R121-A161 WeakPolarHBondContact O-CA 3.45Å; L123-A161 HydrophobicContact CB-CB 3.98Å; G156-A161 PolarHBondContact O-N 2.65Å; M159-A161 VanDerWaalsContact C-N 3.3Å; A161-A163 VanDerWaalsContact C-N 3.27Å; A161-A163 PolarHBondContact O-N 3.46Å; A161-Y201 VanDerWaalsContact C-OH 3.3Å; A161-Y201 PolarHBondContact N-OH 3.31Å; A161-Y201 PolarHBondContact O-OH 3.06Å; A161-F203 HydrophobicContact CB-CE2 4.22Å; A161-F203 WeakPolarHBondContact O-CD2 3.25Å; A161-F203 VanDerWaalsContact O-CE2 3.25Å; A161-F203 WeakPolarHBondContact O-CE2 3.35Å
162	R	97.1	Very high	97.9	Very high	156 Å²	156	21 Å²	21	59%	0.589	10%	0.101	S	C	*	.	S	Bend	trans	-61.9	-35.5	176.9	179.4	-179.8	175.4	-142	-0.9	112.7	P120 R121	P120-R162 HydrophobicContact CB-CB 4.19Å; R121-R162 PolarHBondContact O-N 3.08Å
163	A	98.4	Very high	97.9	Very high	4 Å²	4	27.1 Å²	27.1	3%	0.033	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	156.8	-179.2	0	0	0	0	0	111.3	Y122 L123 A161 Y165 D204 F206	Y122-A163 HydrophobicContact CD1-CB 4.25Å; Y122-A163 HydrophobicContact CE1-CB 4.38Å; L123-A163 PolarHBondContact N-O 2.69Å; A161-A163 VanDerWaalsContact C-N 3.27Å; A161-A163 PolarHBondContact O-N 3.46Å; A163-Y165 HydrophobicContact CB-CE2 4.47Å; A163-D204 CarbonylContact C-O 3.5Å; A163-D204 WeakPolarHBondContact CA-O 3.48Å; A163-D204 HydrophobicContact CB-CB 4.35Å; A163-D204 WeakPolarHBondContact CB-O 3.41Å; A163-F206 HydrophobicContact CB-CD2 4.08Å; A163-F206 HydrophobicContact CB-CE2 3.75Å
164	A	98.8	Very high	97.9	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	137.2	164.6	0	0	0	0	0	111.4	L123 C152 F203 D204 I205 F206	L123-A164 HydrophobicContact CB-CB 4.21Å; L123-A164 HydrophobicContact CD2-CB 4.33Å; L123-A164 HydrophobicContact CG-CB 4.31Å; L123-A164 CarbonylContact O-C 3.39Å; L123-A164 VanDerWaalsContact O-CA 3.22Å; L123-A164 WeakPolarHBondContact O-CA 3.37Å; C152-A164 HydrophobicContact CB-CB 4.07Å; A164-F203 HydrophobicContact CB-CE1 4Å; A164-F203 HydrophobicContact CB-CE2 4.48Å; A164-F203 HydrophobicContact CB-CZ 3.56Å; A164-D204 PolarHBondContact N-O 2.96Å; A164-I205 HydrophobicContact CB-CG1 4.32Å; A164-I205 HydrophobicContact CB-CG2 4.47Å; A164-I205 CarbonylContact O-C 2.96Å; A164-I205 WeakPolarHBondContact O-CA 3.3Å; A164-F206 PolarHBondContact O-N 2.66Å
165	Y	98.7	Very high	97.9	Very high	41 Å²	41	32.7 Å²	32.7	16%	0.161	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	120.3	165.3	-65.9	-96.9	0	0	0	109.7	Y122 L123 V124 I125 A163 F206 L226 L245	Y122-Y165 HydrophobicContact CD1-CD2 4.28Å; Y122-Y165 AromaticContact CD1-CE2 3.66Å; Y122-Y165 HydrophobicContact CD1-CE2 3.66Å; Y122-Y165 AromaticContact CE1-CE2 3.93Å; Y122-Y165 HydrophobicContact CE1-CE2 3.93Å; Y122-Y165 HydrophobicContact CG-CE2 4.19Å; L123-Y165 PolarHBondContact O-N 2.85Å; V124-Y165 CarbonylContact C-O 3.26Å; V124-Y165 WeakPolarHBondContact CA-O 3.41Å; I125-Y165 PolarHBondContact N-O 2.7Å; A163-Y165 HydrophobicContact CB-CE2 4.47Å; Y165-F206 CarbonylContact C-O 3.54Å; Y165-F206 WeakPolarHBondContact CA-O 3.13Å; Y165-F206 HydrophobicContact CD1-CB 3.67Å; Y165-F206 HydrophobicContact CD1-CD2 4.2Å; Y165-F206 HydrophobicContact CD1-CG 4.25Å; Y165-F206 HydrophobicContact CE1-CB 3.89Å; Y165-F206 AromaticContact CE1-CD2 3.8Å; Y165-F206 HydrophobicContact CE1-CD2 3.8Å; Y165-F206 AromaticContact CE1-CG 3.99Å; Y165-F206 HydrophobicContact CE1-CG 3.99Å; Y165-F206 HydrophobicContact CE2-CD2 4.37Å; Y165-F206 HydrophobicContact CG-CB 4.41Å; Y165-F206 AromaticContact CZ-CD2 3.89Å; Y165-L226 HydrophobicContact CD1-CD1 4.43Å; Y165-L226 HydrophobicContact CD1-CD2 3.94Å; Y165-L226 HydrophobicContact CE1-CD2 4.31Å; Y165-L226 HydrophobicContact CG-CD1 4.14Å; Y165-L226 HydrophobicContact CG-CD2 4.32Å; Y165-L245 HydrophobicContact CD2-CD2 3.49Å; Y165-L245 VanDerWaalsContact CD2-CD2 3.49Å; Y165-L245 HydrophobicContact CE2-CD2 3.65Å; Y165-L245 HydrophobicContact CG-CD2 4.07Å
166	I	98.7	Very high	97.8	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	107.1	174.2	-53.8	176.5	0	0	0	107.9	I125 A127 L148 L149 I168 L179 I205 F206 H208	I125-I166 HydrophobicContact CB-CB 4.31Å; I125-I166 HydrophobicContact CB-CG1 4.04Å; I125-I166 HydrophobicContact CB-CG2 4.18Å; I125-I166 HydrophobicContact CG1-CG1 3.87Å; I125-I166 HydrophobicContact CG2-CG2 4.35Å; A127-I166 HydrophobicContact CB-CG2 3.86Å; L148-I166 HydrophobicContact CD2-CD1 4.28Å; L149-I166 HydrophobicContact CD2-CD1 3.97Å; I166-I168 PolarHBondContact O-N 3.35Å; I166-L179 HydrophobicContact CB-CD2 4.29Å; I166-L179 HydrophobicContact CD1-CD1 4.36Å; I166-L179 HydrophobicContact CD1-CD2 3.81Å; I166-L179 HydrophobicContact CD1-CG 4.41Å; I166-L179 HydrophobicContact CG2-CD2 3.78Å; I166-I205 HydrophobicContact CD1-CG2 3.68Å; I166-I205 HydrophobicContact CG1-CG2 4.07Å; I166-F206 PolarHBondContact N-O 2.81Å; I166-H208 PolarHBondContact O-N 2.8Å
167	Y	98.6	Very high	97.8	Very high	3 Å²	3	36 Å²	36	1%	0.012	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	97.3	176.2	-172.9	-80.5	0	0	0	108.7	I125 A127 D128 H208 G210 C216 L222 S225 L226	I125-Y167 PolarHBondContact O-N 3.37Å; A127-Y167 CarbonylContact C-O 3.52Å; A127-Y167 WeakPolarHBondContact CA-O 3.29Å; A127-Y167 WeakPolarHBondContact CB-O 3.25Å; A127-Y167 PolarHBondContact N-O 3.29Å; D128-Y167 HydrophobicContact CB-CD1 4.21Å; D128-Y167 HydrophobicContact CB-CE1 4.3Å; D128-Y167 PolarHBondContact N-O 3.13Å; Y167-H208 CarbonylContact C-O 3.53Å; Y167-H208 WeakPolarHBondContact CA-O 3.43Å; Y167-H208 AromaticContact CD2-CD2 3.88Å; Y167-H208 AromaticContact CE2-CD2 3.83Å; Y167-G210 WeakPolarHBondContact OH-CA 3.31Å; Y167-C216 HydrophobicContact CE1-CB 4.09Å; Y167-C216 WeakPolarHBondContact OH-CB 3.36Å; Y167-L222 HydrophobicContact CD1-CD1 4.01Å; Y167-L222 HydrophobicContact CD1-CD2 4.5Å; Y167-L222 HydrophobicContact CD1-CG 3.87Å; Y167-L222 HydrophobicContact CD2-CD2 3.99Å; Y167-L222 HydrophobicContact CD2-CG 4.03Å; Y167-L222 HydrophobicContact CE1-CG 4.46Å; Y167-L222 HydrophobicContact CG-CD1 4.05Å; Y167-L222 HydrophobicContact CG-CD2 3.78Å; Y167-L222 HydrophobicContact CG-CG 3.64Å; Y167-S225 WeakPolarHBondContact CE2-OG 3.32Å; Y167-S225 WeakPolarHBondContact OH-CB 3.49Å; Y167-S225 PolarHBondContact OH-OG 3.27Å; Y167-L226 HydrophobicContact CD2-CB 4.3Å; Y167-L226 HydrophobicContact CD2-CG 4.48Å
168	I	98.3	Very high	97.8	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	142.1	-178	-166	171.1	0	0	0	110.9	A127 M141 I166 F172 E175 V207 H208 R209 G210	A127-I168 HydrophobicContact CB-CB 4.34Å; A127-I168 HydrophobicContact CB-CG1 4.44Å; M141-I168 HydrophobicContact CE-CD1 4.23Å; M141-I168 HydrophobicContact CE-CG1 4.15Å; M141-I168 HydrophobicContact SD-CD1 3.47Å; M141-I168 WeakPolarHBondContact SD-CD1 3.46Å; M141-I168 HydrophobicContact SD-CG1 3.66Å; I166-I168 PolarHBondContact O-N 3.35Å; I168-F172 HydrophobicContact CD1-CB 3.99Å; I168-F172 HydrophobicContact CG1-CB 3.94Å; I168-F172 HydrophobicContact CG1-CD2 4.33Å; I168-E175 HydrophobicContact CD1-CB 3.98Å; I168-V207 HydrophobicContact CG2-CG1 3.87Å; I168-H208 PolarHBondContact N-O 2.98Å; I168-R209 HydrophobicContact CG2-CB 4.28Å; I168-R209 HydrophobicContact CG2-CG 3.59Å; I168-R209 WeakPolarHBondContact O-CA 3.47Å; I168-G210 PolarHBondContact O-N 3.43Å
169	R	97.5	Very high	97.9	Very high	57 Å²	57	36.8 Å²	36.8	22%	0.215	18%	0.175	C	C	.	.			trans	-49.3	141.6	173.9	-152	-173.9	165.7	149.3	-4.1	111.8	A127 D128 E129 E171 F172	A127-R169 PolarHBondContact O-N 2.95Å; D128-R169 WeakPolarHBondContact O-CB 3.38Å; D128-R169 WeakPolarHBondContact O-CD 3.14Å; D128-R169 WeakPolarHBondContact O-CG 3.4Å; E129-R169 PolarHBondContact O-NH1 3.16Å; R169-E171 VanDerWaalsContact C-N 3.29Å; R169-E171 WeakPolarHBondContact CG-OE2 3.22Å; R169-E171 IonicContact CZ-OE1 2.72Å; R169-E171 VanDerWaalsContact NE-CD 3.26Å; R169-E171 IonicContact NE-OE1 3Å; R169-E171 PolarHBondContact NE-OE1 3.41Å; R169-E171 VanDerWaalsContact NE-OE1 3.14Å; R169-E171 IonicContact NE-OE2 3.8Å; R169-E171 PolarHBondContact NE-OE2 2.8Å; R169-E171 VanDerWaalsContact NE-OE2 3.16Å; R169-E171 IonicContact NH2-OE1 3.94Å; R169-E171 PolarHBondContact NH2-OE1 2.9Å; R169-E171 PolarHBondContact O-N 2.89Å; R169-F172 HydrophobicContact CB-CB 4.1Å; R169-F172 HydrophobicContact CB-CD1 4.43Å; R169-F172 HydrophobicContact CB-CD2 3.49Å; R169-F172 VanDerWaalsContact CB-CD2 3.49Å; R169-F172 HydrophobicContact CB-CE2 3.95Å; R169-F172 HydrophobicContact CB-CG 3.76Å; R169-F172 PolarHBondContact O-N 3.07Å
170	G	96.8	Very high	97.9	Very high	9 Å²	9	41.3 Å²	41.3	9%	0.093	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-40.5	179.1	0	0	0	0	0	113.3	F172 R209 G210	G170-F172 VanDerWaalsContact C-N 3.27Å; G170-F172 PolarHBondContact O-N 3.25Å; G170-R209 PolarHBondContact O-NH2 3.13Å; G170-G210 WeakPolarHBondContact CA-O 3.39Å
171	E	97.9	Very high	98	Very high	99 Å²	99	43.2 Å²	43.2	46%	0.463	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-20	-177.9	-62.6	94.3	124.6	0	0	113.2	R169 Y173 G212	R169-E171 VanDerWaalsContact C-N 3.29Å; R169-E171 WeakPolarHBondContact CG-OE2 3.22Å; R169-E171 IonicContact CZ-OE1 2.72Å; R169-E171 VanDerWaalsContact NE-CD 3.26Å; R169-E171 IonicContact NE-OE1 3Å; R169-E171 PolarHBondContact NE-OE1 3.41Å; R169-E171 VanDerWaalsContact NE-OE1 3.14Å; R169-E171 IonicContact NE-OE2 3.8Å; R169-E171 PolarHBondContact NE-OE2 2.8Å; R169-E171 VanDerWaalsContact NE-OE2 3.16Å; R169-E171 IonicContact NH2-OE1 3.94Å; R169-E171 PolarHBondContact NH2-OE1 2.9Å; R169-E171 PolarHBondContact O-N 2.89Å; E171-Y173 PolarHBondContact O-N 3.17Å; E171-G212 VanDerWaalsContact OE2-CA 3.26Å; E171-G212 WeakPolarHBondContact OE2-CA 3.38Å
172	F	98.1	Very high	98.1	Very high	22 Å²	22	43.2 Å²	43.2	10%	0.096	20%	0.197	C	C	.	.			trans	-82.9	54.5	179.9	-70.6	-8.2	0	0	0	111.8	E129 R138 M141 I168 R169 G170 E175 S176	E129-F172 HydrophobicContact CB-CE2 4.01Å; E129-F172 HydrophobicContact CB-CZ 4.39Å; R138-F172 HydrophobicContact CB-CE1 4.43Å; R138-F172 HydrophobicContact CB-CE2 4.03Å; R138-F172 HydrophobicContact CB-CZ 3.86Å; R138-F172 HydrophobicContact CG-CE1 4.31Å; R138-F172 HydrophobicContact CG-CZ 4.23Å; M141-F172 HydrophobicContact CE-CD2 3.56Å; M141-F172 HydrophobicContact CE-CE2 3.85Å; I168-F172 HydrophobicContact CD1-CB 3.99Å; I168-F172 HydrophobicContact CG1-CB 3.94Å; I168-F172 HydrophobicContact CG1-CD2 4.33Å; R169-F172 HydrophobicContact CB-CB 4.1Å; R169-F172 HydrophobicContact CB-CD1 4.43Å; R169-F172 HydrophobicContact CB-CD2 3.49Å; R169-F172 VanDerWaalsContact CB-CD2 3.49Å; R169-F172 HydrophobicContact CB-CE2 3.95Å; R169-F172 HydrophobicContact CB-CG 3.76Å; R169-F172 PolarHBondContact O-N 3.07Å; G170-F172 VanDerWaalsContact C-N 3.27Å; G170-F172 PolarHBondContact O-N 3.25Å; F172-E175 WeakPolarHBondContact CA-OE2 3.28Å; F172-E175 HydrophobicContact CB-CB 3.96Å; F172-E175 HydrophobicContact CB-CG 4.14Å; F172-E175 HydrophobicContact CG-CG 4.32Å; F172-S176 WeakPolarHBondContact O-CB 3.44Å; F172-S176 PolarHBondContact O-N 2.69Å
173	Y	98	Very high	98.2	Very high	127 Å²	127	36.1 Å²	36.1	50%	0.498	17%	0.171	S	C	.	.	H	α-helix	trans	-64.6	-47.8	-177.5	-179.2	-111.5	0	0	0	112.4	E171 S176 I177	E171-Y173 PolarHBondContact O-N 3.17Å; Y173-S176 WeakPolarHBondContact O-CB 3.34Å; Y173-S176 PolarHBondContact O-N 3.02Å; Y173-S176 PolarHBondContact O-OG 3.29Å; Y173-I177 HydrophobicContact CD1-CD1 3.73Å; Y173-I177 HydrophobicContact CE1-CD1 3.29Å; Y173-I177 HydrophobicContact CE1-CG1 4.41Å; Y173-I177 HydrophobicContact CE2-CD1 4.15Å; Y173-I177 HydrophobicContact CG-CD1 4.34Å; Y173-I177 WeakPolarHBondContact O-CG1 2.93Å; Y173-I177 PolarHBondContact O-N 2.65Å
174	N	98.3	Very high	98.2	Very high	106 Å²	106	42 Å²	42	57%	0.567	20%	0.195	S	C	*	.	H	α-helix	trans	-67.2	-41.9	-179.5	-68.7	-29.7	0	0	0	111.5	S176 I177 N178	N174-S176 VanDerWaalsContact C-N 3.28Å; N174-S176 PolarHBondContact O-N 3.18Å; N174-I177 WeakPolarHBondContact O-CB 3.31Å; N174-I177 PolarHBondContact O-N 3.26Å; N174-I177 VanDerWaalsContact O-N 3.16Å; N174-N178 PolarHBondContact O-N 3.13Å
175	E	98.3	Very high	98.2	Very high	11 Å²	11	44.1 Å²	44.1	5%	0.051	21%	0.205	C	C	.	.	H	α-helix	trans	-58.8	-40.4	173.4	-63.8	62.2	-160	0	0	110.6	R138 M141 R142 I168 F172 N178 L179	R138-E175 HydrophobicContact CG-CG 4Å; R138-E175 IonicContact CZ-OE1 3.14Å; R138-E175 VanDerWaalsContact CZ-OE1 3.28Å; R138-E175 IonicContact NE-OE1 2.9Å; R138-E175 PolarHBondContact NE-OE1 2.9Å; R138-E175 IonicContact NH2-OE1 3.16Å; R138-E175 PolarHBondContact NH2-OE1 2.94Å; M141-E175 HydrophobicContact CB-CB 4.23Å; R142-E175 HydrophobicContact CB-CG 4.14Å; I168-E175 HydrophobicContact CD1-CB 3.98Å; F172-E175 WeakPolarHBondContact CA-OE2 3.28Å; F172-E175 HydrophobicContact CB-CB 3.96Å; F172-E175 HydrophobicContact CB-CG 4.14Å; F172-E175 HydrophobicContact CG-CG 4.32Å; E175-N178 PolarHBondContact O-N 3.49Å; E175-L179 WeakPolarHBondContact O-CB 3.34Å; E175-L179 PolarHBondContact O-N 2.9Å
176	S	97.8	Very high	98.2	Very high	7 Å²	7	42.1 Å²	42.1	5%	0.049	20%	0.198	C	C	.	.	H	α-helix	trans	-64.4	-38.4	175.3	80.6	0	0	0	0	112.5	F172 Y173 N174 L179 Q180	F172-S176 WeakPolarHBondContact O-CB 3.44Å; F172-S176 PolarHBondContact O-N 2.69Å; Y173-S176 WeakPolarHBondContact O-CB 3.34Å; Y173-S176 PolarHBondContact O-N 3.02Å; Y173-S176 PolarHBondContact O-OG 3.29Å; N174-S176 VanDerWaalsContact C-N 3.28Å; N174-S176 PolarHBondContact O-N 3.18Å; S176-L179 PolarHBondContact O-N 3.35Å; S176-Q180 WeakPolarHBondContact O-CB 3.34Å; S176-Q180 VanDerWaalsContact O-CG 3.25Å; S176-Q180 WeakPolarHBondContact O-CG 3.42Å; S176-Q180 PolarHBondContact O-N 3.41Å
177	I	98	Very high	98.2	Very high	62 Å²	62	46 Å²	46	32%	0.318	21%	0.213	S	C	.	.	H	α-helix	trans	-66.1	-46.7	176	-70.2	163.3	0	0	0	110.2	Y173 N174 L179 Q180 M181	Y173-I177 HydrophobicContact CD1-CD1 3.73Å; Y173-I177 HydrophobicContact CE1-CD1 3.29Å; Y173-I177 HydrophobicContact CE1-CG1 4.41Å; Y173-I177 HydrophobicContact CE2-CD1 4.15Å; Y173-I177 HydrophobicContact CG-CD1 4.34Å; Y173-I177 WeakPolarHBondContact O-CG1 2.93Å; Y173-I177 PolarHBondContact O-N 2.65Å; N174-I177 WeakPolarHBondContact O-CB 3.31Å; N174-I177 PolarHBondContact O-N 3.26Å; N174-I177 VanDerWaalsContact O-N 3.16Å; I177-L179 VanDerWaalsContact C-N 3.32Å; I177-L179 PolarHBondContact O-N 3.08Å; I177-Q180 PolarHBondContact O-N 3.42Å; I177-M181 HydrophobicContact CG2-CE 3.62Å; I177-M181 WeakPolarHBondContact O-CG 3.11Å; I177-M181 PolarHBondContact O-N 2.81Å
178	N	97.8	Very high	98.2	Very high	33 Å²	33	52.4 Å²	52.4	18%	0.176	24%	0.243	C	C	.	.	H	α-helix	trans	-58.4	-45.5	176.5	-75.4	8.4	0	0	0	111.4	W61 R142 N174 E175 M181 A182	W61-N178 HydrophobicContact CH2-CB 4.04Å; W61-N178 HydrophobicContact CZ2-CB 4.36Å; W61-N178 HydrophobicContact CZ3-CB 4.12Å; W61-N178 WeakPolarHBondContact CZ3-O 3.41Å; R142-N178 PolarHBondContact O-ND2 3.01Å; N174-N178 PolarHBondContact O-N 3.13Å; E175-N178 PolarHBondContact O-N 3.49Å; N178-M181 PolarHBondContact O-N 2.88Å; N178-M181 WeakPolarHBondContact OD1-CE 3.45Å; N178-A182 PolarHBondContact O-N 3.48Å
179	L	97.8	Very high	98.2	Very high	0 Å²	0	55 Å²	55	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-64.2	-42.3	178.6	-172.1	63	0	0	0	112	P145 L148 L149 I166 E175 S176 I177 M181 A182 I183 V207	P145-L179 HydrophobicContact CB-CD1 3.85Å; L148-L179 HydrophobicContact CD2-CD1 4.24Å; L149-L179 HydrophobicContact CD2-CD1 3.85Å; L149-L179 HydrophobicContact CG-CD1 4.26Å; I166-L179 HydrophobicContact CB-CD2 4.29Å; I166-L179 HydrophobicContact CD1-CD1 4.36Å; I166-L179 HydrophobicContact CD1-CD2 3.81Å; I166-L179 HydrophobicContact CD1-CG 4.41Å; I166-L179 HydrophobicContact CG2-CD2 3.78Å; E175-L179 WeakPolarHBondContact O-CB 3.34Å; E175-L179 PolarHBondContact O-N 2.9Å; S176-L179 PolarHBondContact O-N 3.35Å; I177-L179 VanDerWaalsContact C-N 3.32Å; I177-L179 PolarHBondContact O-N 3.08Å; L179-M181 VanDerWaalsContact C-N 3.33Å; L179-M181 PolarHBondContact O-N 3.39Å; L179-A182 PolarHBondContact O-N 3.47Å; L179-I183 HydrophobicContact CG-CD1 4.14Å; L179-I183 WeakPolarHBondContact O-CB 3.39Å; L179-I183 VanDerWaalsContact O-CG1 3.26Å; L179-I183 WeakPolarHBondContact O-CG1 3.35Å; L179-I183 PolarHBondContact O-N 3.29Å; L179-V207 HydrophobicContact CD2-CG2 3.92Å; L179-V207 HydrophobicContact CG-CG2 4.18Å
180	Q	98.1	Very high	98.2	Very high	97 Å²	97	54 Å²	54	45%	0.453	27%	0.272	S	S	.	.	H	α-helix	trans	-63.3	-37.5	175.2	-74.4	-75.5	69.2	0	0	112.5	S176 I177 I183 K184 V207	S176-Q180 WeakPolarHBondContact O-CB 3.34Å; S176-Q180 VanDerWaalsContact O-CG 3.25Å; S176-Q180 WeakPolarHBondContact O-CG 3.42Å; S176-Q180 PolarHBondContact O-N 3.41Å; I177-Q180 PolarHBondContact O-N 3.42Å; Q180-I183 PolarHBondContact O-N 3.45Å; Q180-K184 WeakPolarHBondContact O-CB 3.16Å; Q180-K184 PolarHBondContact O-N 2.85Å; Q180-V207 HydrophobicContact CG-CB 4.35Å; Q180-V207 HydrophobicContact CG-CG2 4.27Å
181	M	98.4	Very high	98.3	Very high	73 Å²	73	55 Å²	55	36%	0.36	27%	0.274	S	S	.	.	H	α-helix	trans	-63.7	-46.1	172.7	-75.3	-172.4	-75.2	0	0	111.7	W61 I177 N178 L179 I183 K184 E185	W61-M181 HydrophobicContact CH2-CB 3.9Å; W61-M181 HydrophobicContact CH2-CE 3.58Å; W61-M181 HydrophobicContact CH2-SD 4.23Å; W61-M181 HydrophobicContact CZ2-CE 3.81Å; W61-M181 HydrophobicContact CZ3-CB 4.39Å; I177-M181 HydrophobicContact CG2-CE 3.62Å; I177-M181 WeakPolarHBondContact O-CG 3.11Å; I177-M181 PolarHBondContact O-N 2.81Å; N178-M181 PolarHBondContact O-N 2.88Å; N178-M181 WeakPolarHBondContact OD1-CE 3.45Å; L179-M181 VanDerWaalsContact C-N 3.33Å; L179-M181 PolarHBondContact O-N 3.39Å; M181-I183 VanDerWaalsContact C-N 3.32Å; M181-I183 PolarHBondContact O-N 3.42Å; M181-K184 WeakPolarHBondContact O-CB 3.36Å; M181-K184 PolarHBondContact O-N 2.95Å; M181-E185 WeakPolarHBondContact O-CG 3.21Å; M181-E185 PolarHBondContact O-N 2.9Å
182	A	98.7	Very high	98.3	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-63.7	-36.9	176.7	0	0	0	0	0	112.5	W61 P145 H146 L149 N178 L179 E185 A186	W61-A182 HydrophobicContact CZ3-CB 4.37Å; P145-A182 HydrophobicContact CB-CB 3.76Å; P145-A182 HydrophobicContact CG-CB 3.74Å; H146-A182 PolarHBondContact CE1-O 3.1Å; H146-A182 VanDerWaalsContact CE1-O 3.29Å; L149-A182 HydrophobicContact CD1-CB 3.86Å; N178-A182 PolarHBondContact O-N 3.48Å; L179-A182 PolarHBondContact O-N 3.47Å; A182-E185 PolarHBondContact O-N 2.81Å; A182-A186 WeakPolarHBondContact O-CB 3.31Å; A182-A186 PolarHBondContact O-N 3.36Å
183	I	98.7	Very high	98.3	Very high	7 Å²	7	49.5 Å²	49.5	4%	0.036	25%	0.25	C	S	.	.	H	α-helix	trans	-62	-47.1	173.5	-74.5	168.4	0	0	0	110	L149 L179 Q180 M181 E185 A186 Y187 I192 I205 V207	L149-I183 HydrophobicContact CD1-CB 4.42Å; L149-I183 HydrophobicContact CD1-CG1 3.72Å; L149-I183 HydrophobicContact CD2-CD1 4.03Å; L149-I183 HydrophobicContact CD2-CG1 3.47Å; L149-I183 VanDerWaalsContact CD2-CG1 3.47Å; L149-I183 HydrophobicContact CG-CG1 4.24Å; L179-I183 HydrophobicContact CG-CD1 4.14Å; L179-I183 WeakPolarHBondContact O-CB 3.39Å; L179-I183 VanDerWaalsContact O-CG1 3.26Å; L179-I183 WeakPolarHBondContact O-CG1 3.35Å; L179-I183 PolarHBondContact O-N 3.29Å; Q180-I183 PolarHBondContact O-N 3.45Å; M181-I183 VanDerWaalsContact C-N 3.32Å; M181-I183 PolarHBondContact O-N 3.42Å; I183-E185 PolarHBondContact O-N 3.49Å; I183-A186 PolarHBondContact O-N 3.01Å; I183-A186 VanDerWaalsContact O-N 3.17Å; I183-Y187 HydrophobicContact CG2-CD2 3.56Å; I183-Y187 HydrophobicContact CG2-CE2 3.49Å; I183-Y187 VanDerWaalsContact CG2-CE2 3.49Å; I183-Y187 VanDerWaalsContact O-CD2 3.28Å; I183-Y187 WeakPolarHBondContact O-CD2 3.31Å; I183-Y187 PolarHBondContact O-N 3.46Å; I183-I192 HydrophobicContact CG2-CD1 4.19Å; I183-I205 HydrophobicContact CD1-CG2 3.9Å; I183-I205 HydrophobicContact CG1-CG2 4.35Å; I183-V207 HydrophobicContact CD1-CG2 3.33Å
184	K	98.6	Very high	98.3	Very high	128 Å²	128	53.9 Å²	53.9	56%	0.557	27%	0.266	S	S	*	.	H	α-helix	trans	-57.3	-48.4	175.7	179.6	-179	169.6	-177.7	0	111.5	Q180 M181 A186 Y187 E188	Q180-K184 WeakPolarHBondContact O-CB 3.16Å; Q180-K184 PolarHBondContact O-N 2.85Å; M181-K184 WeakPolarHBondContact O-CB 3.36Å; M181-K184 PolarHBondContact O-N 2.95Å; K184-A186 VanDerWaalsContact C-N 3.29Å; K184-A186 PolarHBondContact O-N 3.16Å; K184-Y187 PolarHBondContact O-N 3.14Å; K184-E188 WeakPolarHBondContact CE-OE1 3.48Å; K184-E188 HydrophobicContact CG-CG 4.45Å; K184-E188 IonicContact NZ-OE1 2.77Å; K184-E188 WeakPolarHBondContact O-CG 3.33Å; K184-E188 PolarHBondContact O-N 3.41Å
185	E	98.7	Very high	98.3	Very high	44 Å²	44	52.4 Å²	52.4	21%	0.206	26%	0.258	C	S	.	.	H	α-helix	trans	-59.2	-40	176.5	-70.8	180	170.5	0	0	111.8	K62 L63 H146 M181 A182 I183 E188 A189	K62-E185 WeakPolarHBondContact CB-OE2 3.43Å; L63-E185 HydrophobicContact CB-CB 4.14Å; L63-E185 WeakPolarHBondContact CB-OE2 3.5Å; L63-E185 HydrophobicContact CD2-CB 4.41Å; L63-E185 PolarHBondContact N-OE2 3.35Å; H146-E185 IonicContact CE1-OE2 2.84Å; H146-E185 IonicContact NE2-OE2 3.2Å; H146-E185 PolarHBondContact NE2-OE2 2.59Å; M181-E185 WeakPolarHBondContact O-CG 3.21Å; M181-E185 PolarHBondContact O-N 2.9Å; A182-E185 PolarHBondContact O-N 2.81Å; I183-E185 PolarHBondContact O-N 3.49Å; E185-E188 PolarHBondContact O-N 2.91Å; E185-A189 VanDerWaalsContact O-CB 3.31Å; E185-A189 WeakPolarHBondContact O-CB 3.47Å; E185-A189 PolarHBondContact O-N 3.44Å
186	A	98.7	Very high	98.2	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-68.5	-37.2	177.8	0	0	0	0	0	113.1	W72 L149 A182 I183 K184 G190 L191 I192	W72-A186 HydrophobicContact CZ2-CB 4.4Å; L149-A186 HydrophobicContact CD1-CB 4.34Å; A182-A186 WeakPolarHBondContact O-CB 3.31Å; A182-A186 PolarHBondContact O-N 3.36Å; I183-A186 PolarHBondContact O-N 3.01Å; I183-A186 VanDerWaalsContact O-N 3.17Å; K184-A186 VanDerWaalsContact C-N 3.29Å; K184-A186 PolarHBondContact O-N 3.16Å; A186-G190 PolarHBondContact O-N 3.32Å; A186-L191 HydrophobicContact CB-CB 4.29Å; A186-L191 WeakPolarHBondContact O-CB 3.42Å; A186-L191 PolarHBondContact O-N 3.39Å; A186-I192 HydrophobicContact CB-CD1 3.8Å; A186-I192 HydrophobicContact CB-CG1 3.81Å; A186-I192 PolarHBondContact O-N 2.84Å
187	Y	98.6	Very high	98.2	Very high	81 Å²	81	52.6 Å²	52.6	32%	0.318	26%	0.26	S	S	.	.	H	α-helix	trans	-66.1	-46.5	171.8	-87	-73.3	0	0	0	111.7	I183 K184 A189 G190 I192 G193 D204 I205	I183-Y187 HydrophobicContact CG2-CD2 3.56Å; I183-Y187 HydrophobicContact CG2-CE2 3.49Å; I183-Y187 VanDerWaalsContact CG2-CE2 3.49Å; I183-Y187 VanDerWaalsContact O-CD2 3.28Å; I183-Y187 WeakPolarHBondContact O-CD2 3.31Å; I183-Y187 PolarHBondContact O-N 3.46Å; K184-Y187 PolarHBondContact O-N 3.14Å; Y187-A189 VanDerWaalsContact C-N 3.26Å; Y187-A189 PolarHBondContact O-N 2.84Å; Y187-G190 PolarHBondContact O-N 3.07Å; Y187-I192 HydrophobicContact CD1-CG1 4.08Å; Y187-I192 HydrophobicContact CD2-CD1 3.62Å; Y187-I192 HydrophobicContact CD2-CG1 3.94Å; Y187-I192 HydrophobicContact CE1-CG1 4.25Å; Y187-I192 HydrophobicContact CE2-CD1 3.56Å; Y187-I192 HydrophobicContact CE2-CG1 4.09Å; Y187-I192 HydrophobicContact CG-CD1 4.13Å; Y187-I192 HydrophobicContact CG-CG1 3.92Å; Y187-G193 VanDerWaalsContact CE1-CA 3.44Å; Y187-D204 WeakPolarHBondContact CE1-OD1 3.49Å; Y187-D204 VanDerWaalsContact OH-CA 3.3Å; Y187-D204 WeakPolarHBondContact OH-CA 3.41Å; Y187-D204 WeakPolarHBondContact OH-CB 3.27Å; Y187-D204 PolarHBondContact OH-OD1 3.4Å; Y187-I205 PolarHBondContact OH-N 2.77Å
188	E	98.4	Very high	98.2	Very high	138 Å²	138	51.3 Å²	51.3	65%	0.645	26%	0.262	S	S	*	.	H	α-helix	trans	-62	-34.1	179.1	-73.8	176.3	171.4	0	0	112.3	K184 E185 G190	K184-E188 WeakPolarHBondContact CE-OE1 3.48Å; K184-E188 HydrophobicContact CG-CG 4.45Å; K184-E188 IonicContact NZ-OE1 2.77Å; K184-E188 WeakPolarHBondContact O-CG 3.33Å; K184-E188 PolarHBondContact O-N 3.41Å; E185-E188 PolarHBondContact O-N 2.91Å; E188-G190 VanDerWaalsContact C-N 3.32Å
189	A	98.4	Very high	98.2	Very high	55 Å²	55	50.8 Å²	50.8	46%	0.455	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-0.9	175.5	0	0	0	0	0	114.3	L63 E185 Y187 L191	L63-A189 HydrophobicContact CD2-CB 3.72Å; E185-A189 VanDerWaalsContact O-CB 3.31Å; E185-A189 WeakPolarHBondContact O-CB 3.47Å; E185-A189 PolarHBondContact O-N 3.44Å; Y187-A189 VanDerWaalsContact C-N 3.26Å; Y187-A189 PolarHBondContact O-N 2.84Å; A189-L191 HydrophobicContact CB-CD1 3.97Å; A189-L191 HydrophobicContact CB-CG 3.89Å; A189-L191 PolarHBondContact O-N 2.92Å
190	G	98.3	Very high	98.2	Very high	36 Å²	36	53.8 Å²	53.8	37%	0.371	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.4	22.7	-177.7	0	0	0	0	0	114.3	A186 Y187 E188 C197	A186-G190 PolarHBondContact O-N 3.32Å; Y187-G190 PolarHBondContact O-N 3.07Å; E188-G190 VanDerWaalsContact C-N 3.32Å; G190-C197 PolarHBondContact O-N 3.2Å
191	L	98.6	Very high	98.1	Very high	28 Å²	28	51.7 Å²	51.7	15%	0.147	28%	0.28	C	S	.	.	S	Bend	trans	-79	-31	179.3	-61.9	172.7	0	0	0	111.7	L63 W72 L153 A186 A189 A196 C197	L63-L191 HydrophobicContact CD1-CD1 3.68Å; L63-L191 HydrophobicContact CD2-CD1 4.23Å; W72-L191 HydrophobicContact CB-CD1 4.47Å; W72-L191 HydrophobicContact CB-CD2 4.47Å; W72-L191 HydrophobicContact CD2-CB 4.32Å; W72-L191 HydrophobicContact CD2-CD1 3.77Å; W72-L191 HydrophobicContact CD2-CD2 4.34Å; W72-L191 HydrophobicContact CD2-CG 4.37Å; W72-L191 HydrophobicContact CE3-CB 4.02Å; W72-L191 HydrophobicContact CE3-CD1 4.26Å; W72-L191 HydrophobicContact CE3-CD2 4.16Å; W72-L191 HydrophobicContact CE3-CG 4.38Å; W72-L191 HydrophobicContact CG-CD1 3.85Å; W72-L191 HydrophobicContact CG-CD2 4.49Å; W72-L191 HydrophobicContact CH2-CB 4.11Å; W72-L191 HydrophobicContact CZ2-CB 4.41Å; W72-L191 HydrophobicContact CZ2-CD1 4.49Å; W72-L191 HydrophobicContact CZ3-CB 3.9Å; L153-L191 WeakPolarHBondContact CD2-O 3.38Å; A186-L191 HydrophobicContact CB-CB 4.29Å; A186-L191 WeakPolarHBondContact O-CB 3.42Å; A186-L191 PolarHBondContact O-N 3.39Å; A189-L191 HydrophobicContact CB-CD1 3.97Å; A189-L191 HydrophobicContact CB-CG 3.89Å; A189-L191 PolarHBondContact O-N 2.92Å; L191-A196 WeakPolarHBondContact O-CB 3.27Å; L191-C197 PolarHBondContact O-N 2.75Å; L191-C197 PolarHBondContact O-SG 2.74Å
192	I	98.6	Very high	98.1	Very high	3 Å²	3	52.6 Å²	52.6	2%	0.015	29%	0.287	C	S	.	.	S	Bend	trans	-130.1	177.1	173.9	61	176	0	0	0	110.2	W72 I183 A186 Y187 I205	W72-I192 HydrophobicContact CH2-CG2 3.87Å; I183-I192 HydrophobicContact CG2-CD1 4.19Å; A186-I192 HydrophobicContact CB-CD1 3.8Å; A186-I192 HydrophobicContact CB-CG1 3.81Å; A186-I192 PolarHBondContact O-N 2.84Å; Y187-I192 HydrophobicContact CD1-CG1 4.08Å; Y187-I192 HydrophobicContact CD2-CD1 3.62Å; Y187-I192 HydrophobicContact CD2-CG1 3.94Å; Y187-I192 HydrophobicContact CE1-CG1 4.25Å; Y187-I192 HydrophobicContact CE2-CD1 3.56Å; Y187-I192 HydrophobicContact CE2-CG1 4.09Å; Y187-I192 HydrophobicContact CG-CD1 4.13Å; Y187-I192 HydrophobicContact CG-CG1 3.92Å; I192-I205 HydrophobicContact CD1-CB 4.33Å; I192-I205 HydrophobicContact CD1-CD1 4.06Å; I192-I205 HydrophobicContact CD1-CG1 4.2Å; I192-I205 HydrophobicContact CG2-CD1 4.01Å
193	G	98.2	Very high	98.1	Very high	3 Å²	3	52.6 Å²	52.6	3%	0.031	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	88.6	-144.9	-174.9	0	0	0	0	0	112.2	Y187 N195 F203	Y187-G193 VanDerWaalsContact CE1-CA 3.44Å; G193-N195 PolarHBondContact O-N 3.18Å; G193-F203 WeakPolarHBondContact CA-O 3.45Å; G193-F203 PolarHBondContact N-O 3.33Å; G193-F203 PolarHBondContact O-N 3.27Å
194	R	97.5	Very high	98.1	Very high	220 Å²	220	55.1 Å²	55.1	83%	0.83	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	129.9	177.4	-168.8	178.3	-176.2	-178.7	-0.6	110.1	D202	R194-D202 VanDerWaalsContact CA-OD1 3.32Å; R194-D202 WeakPolarHBondContact CA-OD1 3.29Å; R194-D202 VanDerWaalsContact CG-OD1 3.31Å; R194-D202 WeakPolarHBondContact CG-OD1 3.29Å
195	N	97.5	Very high	98.1	Very high	75 Å²	75	49.2 Å²	49.2	40%	0.401	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.4	52.7	-179	-170.8	15.5	0	0	0	112.7	G193 C197 G198 S199 G200 Y201 D202	G193-N195 PolarHBondContact O-N 3.18Å; N195-C197 PolarHBondContact O-N 3.42Å; N195-G198 WeakPolarHBondContact O-CA 3.41Å; N195-G198 PolarHBondContact O-N 2.71Å; N195-G198 VanDerWaalsContact OD1-CA 3.28Å; N195-G198 WeakPolarHBondContact OD1-CA 3.35Å; N195-S199 PolarHBondContact OD1-N 2.84Å; N195-S199 VanDerWaalsContact OD1-N 3.09Å; N195-G200 WeakPolarHBondContact OD1-CA 3.37Å; N195-G200 PolarHBondContact OD1-N 3.36Å; N195-Y201 CarbonylContact C-O 3.55Å; N195-Y201 WeakPolarHBondContact CA-O 3.25Å; N195-D202 PolarHBondContact N-OD1 3.03Å
196	A	97.9	Very high	98.1	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-49.1	125.7	-178.5	0	0	0	0	0	112.2	L153 L191 G198 S199 Y201 F203	L153-A196 HydrophobicContact CD1-CB 3.66Å; L153-A196 HydrophobicContact CD2-CB 4.1Å; L191-A196 WeakPolarHBondContact O-CB 3.27Å; A196-G198 PolarHBondContact O-N 3.37Å; A196-G198 VanDerWaalsContact O-N 3.08Å; A196-S199 WeakPolarHBondContact O-CB 3.44Å; A196-S199 PolarHBondContact O-N 3.21Å; A196-S199 VanDerWaalsContact O-N 3.12Å; A196-S199 PolarHBondContact O-OG 2.96Å; A196-Y201 WeakPolarHBondContact CB-O 3.42Å; A196-Y201 PolarHBondContact N-O 3.1Å; A196-F203 HydrophobicContact CB-CB 4.4Å
197	C	97.7	Very high	98.1	Very high	22 Å²	22	52.8 Å²	52.8	15%	0.149	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	54.9	20.9	-174.9	-64.3	0	0	0	0	114.2	K76 L79 G190 L191 N195 S199	K76-C197 HydrophobicContact CB-CB 4.25Å; K76-C197 WeakPolarHBondContact CD-O 3.34Å; K76-C197 WeakPolarHBondContact CG-O 3.33Å; L79-C197 HydrophobicContact CD1-CB 4.36Å; G190-C197 PolarHBondContact O-N 3.2Å; L191-C197 PolarHBondContact O-N 2.75Å; L191-C197 PolarHBondContact O-SG 2.74Å; N195-C197 PolarHBondContact O-N 3.42Å; C197-S199 VanDerWaalsContact C-N 3.28Å; C197-S199 PolarHBondContact O-N 2.94Å
198	G	97.3	Very high	98.1	Very high	34 Å²	34	52.1 Å²	52.1	35%	0.351	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	64.6	29.2	-175.8	0	0	0	0	0	114	K76 N195 A196	K76-G198 WeakPolarHBondContact CE-O 3.46Å; K76-G198 PolarHBondContact NZ-O 3.29Å; N195-G198 WeakPolarHBondContact O-CA 3.41Å; N195-G198 PolarHBondContact O-N 2.71Å; N195-G198 VanDerWaalsContact OD1-CA 3.28Å; N195-G198 WeakPolarHBondContact OD1-CA 3.35Å; A196-G198 PolarHBondContact O-N 3.37Å; A196-G198 VanDerWaalsContact O-N 3.08Å
199	S	97.4	Very high	98	Very high	22 Å²	22	50.8 Å²	50.8	15%	0.154	28%	0.281	C	S	.	.	S	Bend	trans	-92.2	-15.1	-174.8	65.3	0	0	0	0	115.2	N195 A196 C197 Y201	N195-S199 PolarHBondContact OD1-N 2.84Å; N195-S199 VanDerWaalsContact OD1-N 3.09Å; A196-S199 WeakPolarHBondContact O-CB 3.44Å; A196-S199 PolarHBondContact O-N 3.21Å; A196-S199 VanDerWaalsContact O-N 3.12Å; A196-S199 PolarHBondContact O-OG 2.96Å; C197-S199 VanDerWaalsContact C-N 3.28Å; C197-S199 PolarHBondContact O-N 2.94Å; S199-Y201 WeakPolarHBondContact OG-CB 3.12Å; S199-Y201 PolarHBondContact OG-N 3.25Å
200	G	97.2	Very high	97.9	Very high	63 Å²	63	48.7 Å²	48.7	65%	0.649	26%	0.264	S	S	*	.	S	Bend	trans	91.2	-1.4	-169.2	0	0	0	0	0	114.1	N195	N195-G200 WeakPolarHBondContact OD1-CA 3.37Å; N195-G200 PolarHBondContact OD1-N 3.36Å
201	Y	97.9	Very high	97.8	Very high	54 Å²	54	51.7 Å²	51.7	21%	0.212	29%	0.285	C	S	.	.			trans	-96.5	126.4	179.8	-169.9	-116.2	0	0	0	111.8	L153 G156 A161 N195 A196 S199 F203	L153-Y201 HydrophobicContact CD1-CD1 4.06Å; L153-Y201 HydrophobicContact CD1-CE1 4.42Å; G156-Y201 PolarHBondContact O-OH 2.94Å; A161-Y201 VanDerWaalsContact C-OH 3.3Å; A161-Y201 PolarHBondContact N-OH 3.31Å; A161-Y201 PolarHBondContact O-OH 3.06Å; N195-Y201 CarbonylContact C-O 3.55Å; N195-Y201 WeakPolarHBondContact CA-O 3.25Å; A196-Y201 WeakPolarHBondContact CB-O 3.42Å; A196-Y201 PolarHBondContact N-O 3.1Å; S199-Y201 WeakPolarHBondContact OG-CB 3.12Å; S199-Y201 PolarHBondContact OG-N 3.25Å; Y201-F203 HydrophobicContact CD1-CB 3.8Å; Y201-F203 HydrophobicContact CD1-CG 4.46Å; Y201-F203 HydrophobicContact CE1-CB 3.68Å; Y201-F203 AromaticContact CE1-CD2 3.64Å; Y201-F203 HydrophobicContact CE1-CD2 3.64Å; Y201-F203 AromaticContact CE1-CG 3.92Å; Y201-F203 HydrophobicContact CE1-CG 3.92Å
202	D	98.4	Very high	97.4	Very high	92 Å²	92	51.8 Å²	51.8	49%	0.492	29%	0.293	S	S	.	.			trans	-90.5	124.3	174.5	-65.7	-26.8	0	0	0	109.8	R194 N195	R194-D202 VanDerWaalsContact CA-OD1 3.32Å; R194-D202 WeakPolarHBondContact CA-OD1 3.29Å; R194-D202 VanDerWaalsContact CG-OD1 3.31Å; R194-D202 WeakPolarHBondContact CG-OD1 3.29Å; N195-D202 PolarHBondContact N-OD1 3.03Å
203	F	98.6	Very high	97.3	Very high	0 Å²	0	53 Å²	53	0%	0	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-151.3	110.6	-175.7	-169.5	-105.7	0	0	0	113.6	C152 L153 A161 A164 G193 A196 Y201 I205	C152-F203 HydrophobicContact CB-CE1 4.12Å; C152-F203 HydrophobicContact CB-CZ 4.48Å; C152-F203 WeakPolarHBondContact O-CE1 3.39Å; C152-F203 WeakPolarHBondContact O-CZ 3.46Å; L153-F203 HydrophobicContact CB-CD1 4.21Å; L153-F203 HydrophobicContact CB-CE1 4.34Å; L153-F203 HydrophobicContact CD1-CB 3.65Å; L153-F203 HydrophobicContact CD1-CD1 3.62Å; L153-F203 HydrophobicContact CD1-CE1 4.45Å; L153-F203 HydrophobicContact CD1-CG 3.77Å; A161-F203 HydrophobicContact CB-CE2 4.22Å; A161-F203 WeakPolarHBondContact O-CD2 3.25Å; A161-F203 VanDerWaalsContact O-CE2 3.25Å; A161-F203 WeakPolarHBondContact O-CE2 3.35Å; A164-F203 HydrophobicContact CB-CE1 4Å; A164-F203 HydrophobicContact CB-CE2 4.48Å; A164-F203 HydrophobicContact CB-CZ 3.56Å; G193-F203 WeakPolarHBondContact CA-O 3.45Å; G193-F203 PolarHBondContact N-O 3.33Å; G193-F203 PolarHBondContact O-N 3.27Å; A196-F203 HydrophobicContact CB-CB 4.4Å; Y201-F203 HydrophobicContact CD1-CB 3.8Å; Y201-F203 HydrophobicContact CD1-CG 4.46Å; Y201-F203 HydrophobicContact CE1-CB 3.68Å; Y201-F203 AromaticContact CE1-CD2 3.64Å; Y201-F203 HydrophobicContact CE1-CD2 3.64Å; Y201-F203 AromaticContact CE1-CG 3.92Å; Y201-F203 HydrophobicContact CE1-CG 3.92Å; F203-I205 HydrophobicContact CD1-CD1 4.47Å; F203-I205 HydrophobicContact CD1-CG1 4.06Å; F203-I205 HydrophobicContact CE1-CD1 4.07Å; F203-I205 HydrophobicContact CE1-CG1 3.73Å
204	D	98.5	Very high	97.3	Very high	59 Å²	59	54.6 Å²	54.6	32%	0.316	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	150.5	176.7	-72.1	-50.3	0	0	0	112.6	A163 A164 Y187 F206	A163-D204 CarbonylContact C-O 3.5Å; A163-D204 WeakPolarHBondContact CA-O 3.48Å; A163-D204 HydrophobicContact CB-CB 4.35Å; A163-D204 WeakPolarHBondContact CB-O 3.41Å; A164-D204 PolarHBondContact N-O 2.96Å; Y187-D204 WeakPolarHBondContact CE1-OD1 3.49Å; Y187-D204 VanDerWaalsContact OH-CA 3.3Å; Y187-D204 WeakPolarHBondContact OH-CA 3.41Å; Y187-D204 WeakPolarHBondContact OH-CB 3.27Å; Y187-D204 PolarHBondContact OH-OD1 3.4Å; D204-F206 HydrophobicContact CB-CE2 3.68Å; D204-F206 HydrophobicContact CB-CZ 3.76Å
205	I	98.7	Very high	97.2	Very high	4 Å²	4	44.7 Å²	44.7	2%	0.021	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	123.3	175.2	-55.3	-176.8	0	0	0	109.3	L149 C152 A164 I166 I183 Y187 I192 F203	L149-I205 HydrophobicContact CB-CD1 4.26Å; L149-I205 HydrophobicContact CD2-CD1 3.88Å; L149-I205 HydrophobicContact CD2-CG2 4.12Å; C152-I205 HydrophobicContact CB-CD1 3.78Å; A164-I205 HydrophobicContact CB-CG1 4.32Å; A164-I205 HydrophobicContact CB-CG2 4.47Å; A164-I205 CarbonylContact O-C 2.96Å; A164-I205 WeakPolarHBondContact O-CA 3.3Å; I166-I205 HydrophobicContact CD1-CG2 3.68Å; I166-I205 HydrophobicContact CG1-CG2 4.07Å; I183-I205 HydrophobicContact CD1-CG2 3.9Å; I183-I205 HydrophobicContact CG1-CG2 4.35Å; Y187-I205 PolarHBondContact OH-N 2.77Å; I192-I205 HydrophobicContact CD1-CB 4.33Å; I192-I205 HydrophobicContact CD1-CD1 4.06Å; I192-I205 HydrophobicContact CD1-CG1 4.2Å; I192-I205 HydrophobicContact CG2-CD1 4.01Å; F203-I205 HydrophobicContact CD1-CD1 4.47Å; F203-I205 HydrophobicContact CD1-CG1 4.06Å; F203-I205 HydrophobicContact CE1-CD1 4.07Å; F203-I205 HydrophobicContact CE1-CG1 3.73Å
206	F	98.4	Very high	97.2	Very high	88 Å²	88	41.5 Å²	41.5	39%	0.386	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	141.3	178	-57.5	-78.3	0	0	0	110.5	A163 A164 Y165 I166 D204	A163-F206 HydrophobicContact CB-CD2 4.08Å; A163-F206 HydrophobicContact CB-CE2 3.75Å; A164-F206 PolarHBondContact O-N 2.66Å; Y165-F206 CarbonylContact C-O 3.54Å; Y165-F206 WeakPolarHBondContact CA-O 3.13Å; Y165-F206 HydrophobicContact CD1-CB 3.67Å; Y165-F206 HydrophobicContact CD1-CD2 4.2Å; Y165-F206 HydrophobicContact CD1-CG 4.25Å; Y165-F206 HydrophobicContact CE1-CB 3.89Å; Y165-F206 AromaticContact CE1-CD2 3.8Å; Y165-F206 HydrophobicContact CE1-CD2 3.8Å; Y165-F206 AromaticContact CE1-CG 3.99Å; Y165-F206 HydrophobicContact CE1-CG 3.99Å; Y165-F206 HydrophobicContact CE2-CD2 4.37Å; Y165-F206 HydrophobicContact CG-CB 4.41Å; Y165-F206 AromaticContact CZ-CD2 3.89Å; I166-F206 PolarHBondContact N-O 2.81Å; D204-F206 HydrophobicContact CB-CE2 3.68Å; D204-F206 HydrophobicContact CB-CZ 3.76Å
207	V	98.1	Very high	97	Very high	31 Å²	31	42.4 Å²	42.4	19%	0.188	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	127.7	171.5	179.2	0	0	0	0	109	I168 L179 Q180 I183	I168-V207 HydrophobicContact CG2-CG1 3.87Å; L179-V207 HydrophobicContact CD2-CG2 3.92Å; L179-V207 HydrophobicContact CG-CG2 4.18Å; Q180-V207 HydrophobicContact CG-CB 4.35Å; Q180-V207 HydrophobicContact CG-CG2 4.27Å; I183-V207 HydrophobicContact CD1-CG2 3.33Å
208	H	97.8	Very high	96.9	Very high	67 Å²	67	43 Å²	43	31%	0.31	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	128.8	174.1	-168.6	99.3	0	0	0	108.9	I166 Y167 I168 L226	I166-H208 PolarHBondContact O-N 2.8Å; Y167-H208 CarbonylContact C-O 3.53Å; Y167-H208 WeakPolarHBondContact CA-O 3.43Å; Y167-H208 AromaticContact CD2-CD2 3.88Å; Y167-H208 AromaticContact CE2-CD2 3.83Å; I168-H208 PolarHBondContact N-O 2.98Å; H208-L226 HydrophobicContact CB-CG 4.41Å
209	R	97.5	Very high	96.7	Very high	111 Å²	111	43.4 Å²	43.4	42%	0.419	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	128.7	179.8	-67.7	-178.8	61.5	-137.7	-1.5	110.2	I168 G170	I168-R209 HydrophobicContact CG2-CB 4.28Å; I168-R209 HydrophobicContact CG2-CG 3.59Å; I168-R209 WeakPolarHBondContact O-CA 3.47Å; G170-R209 PolarHBondContact O-NH2 3.13Å
210	G	96.1	Very high	96.7	Very high	10 Å²	10	42.5 Å²	42.5	10%	0.103	25%	0.252	C	S	.	.			trans	-70.4	-169.5	164.1	0	0	0	0	0	112.1	Y167 I168 G170	Y167-G210 WeakPolarHBondContact OH-CA 3.31Å; I168-G210 PolarHBondContact O-N 3.43Å; G170-G210 WeakPolarHBondContact CA-O 3.39Å
211	A	96.3	Very high	96.7	Very high	99 Å²	99	39.5 Å²	39.5	82%	0.818	22%	0.221	S	C	*	.			trans	-140.1	33.1	-174.3	0	0	0	0	0	113.9
212	G	91	Very high	96.7	Very high	30 Å²	30	36.9 Å²	36.9	31%	0.309	21%	0.211	S	C	.	.	S	Bend	trans	80.9	58.2	175.1	0	0	0	0	0	113.8	E171	E171-G212 VanDerWaalsContact OE2-CA 3.26Å; E171-G212 WeakPolarHBondContact OE2-CA 3.38Å
213	A	95.9	Very high	96.7	Very high	29 Å²	29	32.5 Å²	32.5	24%	0.24	19%	0.187	C	C	.	.			trans	-140.3	110.4	175.5	0	0	0	0	0	110	I215 C216	A213-I215 HydrophobicContact CB-CG2 4.28Å; A213-I215 PolarHBondContact O-N 3.03Å; A213-C216 HydrophobicContact CB-CB 4.44Å; A213-C216 VanDerWaalsContact O-CB 3.3Å; A213-C216 WeakPolarHBondContact O-CB 3.25Å; A213-C216 PolarHBondContact O-N 3.11Å
214	Y	97	Very high	96.6	Very high	36 Å²	36	34 Å²	34	14%	0.141	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-57	-35.8	179.9	159.9	-102	0	0	0	112.5	G130 E131 C216 G217 F383 Y384 E387 L437	G130-Y214 VanDerWaalsContact C-CD2 3.48Å; E131-Y214 HydrophobicContact CB-CE2 4.17Å; E131-Y214 WeakPolarHBondContact OE2-CE2 3.43Å; E131-Y214 VanDerWaalsContact OE2-CZ 3.28Å; E131-Y214 PolarHBondContact OE2-OH 3.32Å; Y214-C216 PolarHBondContact O-N 3.2Å; Y214-G217 WeakPolarHBondContact O-CA 3.32Å; Y214-G217 PolarHBondContact O-N 3.16Å; Y214-F383 HydrophobicContact CD1-CE1 4.21Å; Y214-F383 HydrophobicContact CD1-CZ 4.21Å; Y214-F383 HydrophobicContact CD2-CE1 4.49Å; Y214-F383 HydrophobicContact CD2-CZ 4.05Å; Y214-F383 HydrophobicContact CE1-CE1 4.43Å; Y214-F383 HydrophobicContact CG-CE1 4.22Å; Y214-F383 AromaticContact CG-CZ 3.79Å; Y214-F383 HydrophobicContact CG-CZ 3.79Å; Y214-Y384 HydrophobicContact CE1-CD1 4.3Å; Y214-Y384 AromaticContact CE1-CE1 3.85Å; Y214-Y384 HydrophobicContact CE1-CE1 3.85Å; Y214-E387 WeakPolarHBondContact CB-OE2 2.98Å; Y214-E387 HydrophobicContact CD1-CB 4Å; Y214-E387 HydrophobicContact CG-CB 4.36Å; Y214-E387 PolarHBondContact N-OE2 2.95Å; Y214-L437 HydrophobicContact CD1-CD1 3.77Å; Y214-L437 HydrophobicContact CE1-CD1 3.73Å; Y214-L437 HydrophobicContact CE1-CG 4.12Å
215	I	96.9	Very high	96.6	Very high	13 Å²	13	32.2 Å²	32.2	7%	0.067	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-61.3	-27.6	177.3	-171.3	51.2	0	0	0	112.9	A213 G217 E218 A221 P233 E387 C389 L437	A213-I215 HydrophobicContact CB-CG2 4.28Å; A213-I215 PolarHBondContact O-N 3.03Å; I215-G217 PolarHBondContact O-N 3.32Å; I215-E218 HydrophobicContact CD1-CB 4.29Å; I215-E218 WeakPolarHBondContact O-CB 3.28Å; I215-E218 PolarHBondContact O-N 2.86Å; I215-A221 WeakPolarHBondContact O-CB 3.33Å; I215-P233 HydrophobicContact CD1-CG 3.73Å; I215-P233 HydrophobicContact CG1-CG 4.22Å; I215-E387 WeakPolarHBondContact CB-O 3.39Å; I215-C389 HydrophobicContact CB-CB 4.49Å; I215-C389 HydrophobicContact CG1-CB 3.9Å; I215-C389 HydrophobicContact CG2-CB 4.01Å; I215-L437 HydrophobicContact CB-CD1 4.11Å; I215-L437 HydrophobicContact CD1-CB 4.2Å; I215-L437 HydrophobicContact CD1-CD1 3.68Å; I215-L437 HydrophobicContact CG1-CD1 4.27Å
216	C	96.8	Very high	96.5	Very high	8 Å²	8	32.5 Å²	32.5	5%	0.054	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-68.8	-13.4	172.9	-67.4	0	0	0	0	112.9	Y167 A213 Y214 E218 L222	Y167-C216 HydrophobicContact CE1-CB 4.09Å; Y167-C216 WeakPolarHBondContact OH-CB 3.36Å; A213-C216 HydrophobicContact CB-CB 4.44Å; A213-C216 VanDerWaalsContact O-CB 3.3Å; A213-C216 WeakPolarHBondContact O-CB 3.25Å; A213-C216 PolarHBondContact O-N 3.11Å; Y214-C216 PolarHBondContact O-N 3.2Å; C216-E218 VanDerWaalsContact C-N 3.27Å; C216-L222 VanDerWaalsContact O-CA 3.27Å; C216-L222 WeakPolarHBondContact O-CA 3.41Å; C216-L222 WeakPolarHBondContact O-CB 3.2Å; C216-L222 WeakPolarHBondContact O-CG 3.21Å; C216-L222 PolarHBondContact O-N 3.37Å
217	G	94.1	Very high	96.5	Very high	18 Å²	18	30.2 Å²	30.2	19%	0.186	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-75.2	-9.6	167.7	0	0	0	0	0	113.8	N126 D128 Y214 I215	N126-G217 PolarHBondContact ND2-O 2.92Å; D128-G217 PolarHBondContact OD2-N 3.2Å; Y214-G217 WeakPolarHBondContact O-CA 3.32Å; Y214-G217 PolarHBondContact O-N 3.16Å; I215-G217 PolarHBondContact O-N 3.32Å
218	E	94.7	Very high	96.4	Very high	36 Å²	36	32.1 Å²	32.1	17%	0.168	20%	0.204	C	C	.	.	S	Bend	trans	-74.3	139.8	170.9	-165.2	-78.9	143.3	0	0	110.8	I215 C216 T220 A221 L222 K236 C435	I215-E218 HydrophobicContact CD1-CB 4.29Å; I215-E218 WeakPolarHBondContact O-CB 3.28Å; I215-E218 PolarHBondContact O-N 2.86Å; C216-E218 VanDerWaalsContact C-N 3.27Å; E218-T220 VanDerWaalsContact C-N 3.32Å; E218-T220 VanDerWaalsContact CD-N 3.35Å; E218-T220 PolarHBondContact O-N 3.11Å; E218-T220 VanDerWaalsContact O-N 3.12Å; E218-T220 PolarHBondContact OE1-N 2.97Å; E218-T220 WeakPolarHBondContact OE2-CA 3.22Å; E218-T220 WeakPolarHBondContact OE2-CB 3.46Å; E218-T220 PolarHBondContact OE2-N 3.37Å; E218-T220 PolarHBondContact OE2-OG1 3.22Å; E218-A221 HydrophobicContact CB-CB 4.15Å; E218-A221 PolarHBondContact O-N 2.84Å; E218-A221 PolarHBondContact OE2-N 3.12Å; E218-L222 VanDerWaalsContact O-CB 3.25Å; E218-L222 WeakPolarHBondContact O-CB 3.39Å; E218-L222 PolarHBondContact O-N 3.25Å; E218-K236 IonicContact OE1-NZ 2.86Å; E218-K236 PolarHBondContact OE1-NZ 3.29Å; E218-K236 VanDerWaalsContact OE1-NZ 3.1Å; E218-C435 HydrophobicContact CG-CB 3.95Å
219	E	94.3	Very high	96.4	Very high	42 Å²	42	34 Å²	34	20%	0.196	21%	0.211	C	C	.	.	H	α-helix	trans	-47.7	-45.2	-173	162.7	173.1	-118.9	0	0	114.9	K108 L223 K236 P240 V252	K108-E219 WeakPolarHBondContact CE-OE1 3.37Å; K108-E219 IonicContact NZ-OE1 3.18Å; K108-E219 PolarHBondContact NZ-OE1 3.31Å; E219-L223 WeakPolarHBondContact O-CG 3.33Å; E219-K236 IonicContact OE2-NZ 2.75Å; E219-K236 PolarHBondContact OE2-NZ 3.01Å; E219-P240 HydrophobicContact CG-CG 3.86Å; E219-V252 HydrophobicContact CB-CB 4.28Å; E219-V252 HydrophobicContact CB-CG1 4.46Å; E219-V252 HydrophobicContact CG-CB 3.81Å; E219-V252 HydrophobicContact CG-CG1 4.49Å; E219-V252 HydrophobicContact CG-CG2 3.8Å
220	T	96.1	Very high	96.4	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.012	22%	0.221	C	C	.	.	H	α-helix	trans	-89.1	-31.6	-178	59.5	0	0	0	0	113.7	E218 L222 L223 E224 P233 R234 K236 P240	E218-T220 VanDerWaalsContact C-N 3.32Å; E218-T220 VanDerWaalsContact CD-N 3.35Å; E218-T220 PolarHBondContact O-N 3.11Å; E218-T220 VanDerWaalsContact O-N 3.12Å; E218-T220 PolarHBondContact OE1-N 2.97Å; E218-T220 WeakPolarHBondContact OE2-CA 3.22Å; E218-T220 WeakPolarHBondContact OE2-CB 3.46Å; E218-T220 PolarHBondContact OE2-N 3.37Å; E218-T220 PolarHBondContact OE2-OG1 3.22Å; T220-L222 VanDerWaalsContact C-N 3.27Å; T220-L222 PolarHBondContact O-N 3.45Å; T220-L223 PolarHBondContact O-N 3.23Å; T220-E224 PolarHBondContact O-N 3.29Å; T220-P233 WeakPolarHBondContact OG1-CA 3.26Å; T220-R234 HydrophobicContact CG2-CB 4.22Å; T220-R234 PolarHBondContact OG1-N 3.45Å; T220-R234 PolarHBondContact OG1-O 2.79Å; T220-K236 HydrophobicContact CG2-CG 4.41Å; T220-P240 HydrophobicContact CG2-CG 4.02Å
221	A	97.4	Very high	96.4	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-63.2	-36.6	171.7	0	0	0	0	0	112	I215 E218 L223 E224 S225 P233	I215-A221 WeakPolarHBondContact O-CB 3.33Å; E218-A221 HydrophobicContact CB-CB 4.15Å; E218-A221 PolarHBondContact O-N 2.84Å; E218-A221 PolarHBondContact OE2-N 3.12Å; A221-L223 VanDerWaalsContact C-N 3.31Å; A221-L223 PolarHBondContact O-N 2.92Å; A221-E224 PolarHBondContact O-N 3.27Å; A221-S225 WeakPolarHBondContact O-CB 3.35Å; A221-S225 PolarHBondContact O-N 3.05Å; A221-P233 HydrophobicContact CB-CB 4.47Å; A221-P233 HydrophobicContact CB-CG 3.92Å
222	L	97.8	Very high	96.5	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-58.7	-44.2	175.3	-164.3	155.7	0	0	0	111.1	V124 N126 Y167 C216 E218 T220 S225 L226 V252	V124-L222 HydrophobicContact CG1-CD2 3.2Å; N126-L222 HydrophobicContact CB-CD1 3.75Å; Y167-L222 HydrophobicContact CD1-CD1 4.01Å; Y167-L222 HydrophobicContact CD1-CD2 4.5Å; Y167-L222 HydrophobicContact CD1-CG 3.87Å; Y167-L222 HydrophobicContact CD2-CD2 3.99Å; Y167-L222 HydrophobicContact CD2-CG 4.03Å; Y167-L222 HydrophobicContact CE1-CG 4.46Å; Y167-L222 HydrophobicContact CG-CD1 4.05Å; Y167-L222 HydrophobicContact CG-CD2 3.78Å; Y167-L222 HydrophobicContact CG-CG 3.64Å; C216-L222 VanDerWaalsContact O-CA 3.27Å; C216-L222 WeakPolarHBondContact O-CA 3.41Å; C216-L222 WeakPolarHBondContact O-CB 3.2Å; C216-L222 WeakPolarHBondContact O-CG 3.21Å; C216-L222 PolarHBondContact O-N 3.37Å; E218-L222 VanDerWaalsContact O-CB 3.25Å; E218-L222 WeakPolarHBondContact O-CB 3.39Å; E218-L222 PolarHBondContact O-N 3.25Å; T220-L222 VanDerWaalsContact C-N 3.27Å; T220-L222 PolarHBondContact O-N 3.45Å; L222-S225 PolarHBondContact O-N 2.85Å; L222-L226 HydrophobicContact CD2-CD1 4.42Å; L222-L226 WeakPolarHBondContact O-CB 3.32Å; L222-L226 PolarHBondContact O-N 3.01Å; L222-V252 HydrophobicContact CD1-CG1 4.38Å
223	L	98	Very high	96.7	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-63.3	-44.6	177.3	-57	171.3	0	0	0	111.4	V124 E219 T220 A221 L226 E227 P240 L245 T250 V252	V124-L223 HydrophobicContact CB-CD2 4.44Å; V124-L223 HydrophobicContact CG2-CD2 4.03Å; E219-L223 WeakPolarHBondContact O-CG 3.33Å; T220-L223 PolarHBondContact O-N 3.23Å; A221-L223 VanDerWaalsContact C-N 3.31Å; A221-L223 PolarHBondContact O-N 2.92Å; L223-L226 PolarHBondContact O-N 2.87Å; L223-E227 VanDerWaalsContact O-CG 3.29Å; L223-E227 WeakPolarHBondContact O-CG 3.44Å; L223-E227 PolarHBondContact O-N 3.48Å; L223-P240 HydrophobicContact CD1-CB 3.95Å; L223-P240 HydrophobicContact CD1-CG 4.02Å; L223-L245 HydrophobicContact CD2-CB 3.95Å; L223-T250 HydrophobicContact CD2-CG2 3.82Å; L223-V252 HydrophobicContact CD1-CG2 4.37Å; L223-V252 HydrophobicContact CD2-CG2 3.8Å; L223-V252 HydrophobicContact CG-CG2 4.14Å
224	E	97.9	Very high	96.7	Very high	31 Å²	31	33.4 Å²	33.4	15%	0.145	18%	0.182	C	C	.	.	H	α-helix	trans	-62.7	-42.3	176.5	-71.9	-74.9	130.6	0	0	111.9	T220 A221 E227 G228 K229 K232 R234	T220-E224 PolarHBondContact O-N 3.29Å; A221-E224 PolarHBondContact O-N 3.27Å; E224-E227 PolarHBondContact O-N 2.92Å; E224-G228 PolarHBondContact O-N 3.08Å; E224-K229 WeakPolarHBondContact O-CB 3.33Å; E224-K229 PolarHBondContact O-N 3.08Å; E224-K229 IonicContact OE1-NZ 3.73Å; E224-K229 PolarHBondContact OE1-NZ 3.15Å; E224-K229 WeakPolarHBondContact OE2-CD 3.32Å; E224-K229 IonicContact OE2-NZ 2.68Å; E224-K229 PolarHBondContact OE2-NZ 3.45Å; E224-K232 WeakPolarHBondContact CG-O 3.04Å; E224-R234 HydrophobicContact CG-CG 3.95Å; E224-R234 IonicContact OE1-CZ 3.25Å; E224-R234 IonicContact OE1-NE 2.66Å; E224-R234 PolarHBondContact OE1-NE 2.95Å; E224-R234 IonicContact OE1-NH2 3.35Å; E224-R234 PolarHBondContact OE1-NH2 3.05Å
225	S	98	Very high	96.6	Very high	21 Å²	21	37.3 Å²	37.3	15%	0.147	20%	0.204	C	C	.	.	H	α-helix	trans	-63.7	-41.8	176.2	-177.4	0	0	0	0	112	Y167 A221 L222 E227 G228	Y167-S225 WeakPolarHBondContact CE2-OG 3.32Å; Y167-S225 WeakPolarHBondContact OH-CB 3.49Å; Y167-S225 PolarHBondContact OH-OG 3.27Å; A221-S225 WeakPolarHBondContact O-CB 3.35Å; A221-S225 PolarHBondContact O-N 3.05Å; L222-S225 PolarHBondContact O-N 2.85Å; S225-E227 VanDerWaalsContact C-N 3.27Å; S225-E227 PolarHBondContact O-N 3.39Å; S225-G228 PolarHBondContact O-N 2.98Å
226	L	97.2	Very high	96.3	Very high	11 Å²	11	40.1 Å²	40.1	6%	0.058	22%	0.216	C	C	.	.	H	α-helix	trans	-68	-29.8	178.9	-157.2	169.1	0	0	0	111.6	V124 Y165 Y167 H208 L222 L223 G228 L245 F246	V124-L226 HydrophobicContact CG1-CD1 4.17Å; V124-L226 HydrophobicContact CG2-CD1 4.37Å; Y165-L226 HydrophobicContact CD1-CD1 4.43Å; Y165-L226 HydrophobicContact CD1-CD2 3.94Å; Y165-L226 HydrophobicContact CE1-CD2 4.31Å; Y165-L226 HydrophobicContact CG-CD1 4.14Å; Y165-L226 HydrophobicContact CG-CD2 4.32Å; Y167-L226 HydrophobicContact CD2-CB 4.3Å; Y167-L226 HydrophobicContact CD2-CG 4.48Å; H208-L226 HydrophobicContact CB-CG 4.41Å; L222-L226 HydrophobicContact CD2-CD1 4.42Å; L222-L226 WeakPolarHBondContact O-CB 3.32Å; L222-L226 PolarHBondContact O-N 3.01Å; L223-L226 PolarHBondContact O-N 2.87Å; L226-G228 PolarHBondContact O-N 3.13Å; L226-L245 HydrophobicContact CB-CD1 3.99Å; L226-L245 HydrophobicContact CD1-CD1 4.17Å; L226-L245 HydrophobicContact CD1-CD2 4.14Å; L226-L245 HydrophobicContact CD2-CD1 3.67Å; L226-L245 HydrophobicContact CD2-CD2 4.01Å; L226-L245 HydrophobicContact CD2-CG 4.47Å; L226-L245 HydrophobicContact CG-CD1 4.14Å; L226-F246 HydrophobicContact CD2-CE2 4.5Å; L226-F246 HydrophobicContact CD2-CZ 4.2Å
227	E	97.9	Very high	96	Very high	40 Å²	40	44.3 Å²	44.3	19%	0.187	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	0.1	171	-72.7	174.4	-168.3	0	0	114	L223 E224 S225 K229 R234 L245 F246	L223-E227 VanDerWaalsContact O-CG 3.29Å; L223-E227 WeakPolarHBondContact O-CG 3.44Å; L223-E227 PolarHBondContact O-N 3.48Å; E224-E227 PolarHBondContact O-N 2.92Å; S225-E227 VanDerWaalsContact C-N 3.27Å; S225-E227 PolarHBondContact O-N 3.39Å; E227-K229 VanDerWaalsContact C-N 3.34Å; E227-K229 HydrophobicContact CB-CD 4.49Å; E227-K229 IonicContact OE2-NZ 3.52Å; E227-K229 PolarHBondContact OE2-NZ 3.25Å; E227-R234 IonicContact OE1-CZ 2.77Å; E227-R234 IonicContact OE1-NH1 3.1Å; E227-R234 IonicContact OE1-NH2 3.96Å; E227-R234 PolarHBondContact OE1-NH2 2.86Å; E227-R234 IonicContact OE2-NH2 3.29Å; E227-R234 PolarHBondContact OE2-NH2 2.79Å; E227-L245 HydrophobicContact CG-CD1 3.84Å; E227-F246 HydrophobicContact CB-CE1 4.34Å; E227-F246 HydrophobicContact CG-CD1 3.75Å; E227-F246 HydrophobicContact CG-CE1 3.82Å; E227-F246 PolarHBondContact OE1-N 2.68Å
228	G	96.9	Very high	95.8	Very high	70 Å²	70	46.2 Å²	46.2	72%	0.722	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	80	13.2	-179.4	0	0	0	0	0	114.2	E224 S225 L226	E224-G228 PolarHBondContact O-N 3.08Å; S225-G228 PolarHBondContact O-N 2.98Å; L226-G228 PolarHBondContact O-N 3.13Å
229	K	97.2	Very high	95.8	Very high	108 Å²	108	49.9 Å²	49.9	47%	0.47	27%	0.268	S	S	.	.	S	Bend	trans	-93.7	177.1	173.1	-57.8	166.9	-176.7	159.2	0	110.1	E224 E227	E224-K229 WeakPolarHBondContact O-CB 3.33Å; E224-K229 PolarHBondContact O-N 3.08Å; E224-K229 IonicContact OE1-NZ 3.73Å; E224-K229 PolarHBondContact OE1-NZ 3.15Å; E224-K229 WeakPolarHBondContact OE2-CD 3.32Å; E224-K229 IonicContact OE2-NZ 2.68Å; E224-K229 PolarHBondContact OE2-NZ 3.45Å; E227-K229 VanDerWaalsContact C-N 3.34Å; E227-K229 HydrophobicContact CB-CD 4.49Å; E227-K229 IonicContact OE2-NZ 3.52Å; E227-K229 PolarHBondContact OE2-NZ 3.25Å
230	Q	96.6	Very high	95.8	Very high	134 Å²	134	48.2 Å²	48.2	63%	0.626	26%	0.261	S	S	*	.			trans	-63.8	140.8	168.7	-67.1	-178.6	-19.3	0	0	109.9	K232	Q230-K232 HydrophobicContact CB-CD 4.32Å; Q230-K232 HydrophobicContact CB-CG 4.32Å; Q230-K232 PolarHBondContact O-N 2.88Å; Q230-K232 VanDerWaalsContact OE1-CE 3.29Å
231	G	96.6	Very high	95.7	Very high	14 Å²	14	48.9 Å²	48.9	14%	0.144	27%	0.267	C	S	.	.			trans	-70.1	61.5	176.7	0	0	0	0	0	113.6
232	K	97.4	Very high	95.5	Very high	74 Å²	74	52.9 Å²	52.9	32%	0.322	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-103.8	119.4	179	-79.4	177.8	174.1	166.6	0	108.5	E224 Q230 C389 Q391	E224-K232 WeakPolarHBondContact CG-O 3.04Å; Q230-K232 HydrophobicContact CB-CD 4.32Å; Q230-K232 HydrophobicContact CB-CG 4.32Å; Q230-K232 PolarHBondContact O-N 2.88Å; Q230-K232 VanDerWaalsContact OE1-CE 3.29Å; K232-C389 WeakPolarHBondContact CE-O 3.38Å; K232-C389 HydrophobicContact CG-CB 3.93Å; K232-Q391 HydrophobicContact CD-CB 4.35Å; K232-Q391 HydrophobicContact CG-CB 4.31Å
233	P	97.1	Very high	95.3	Very high	2 Å²	2	55.5 Å²	55.5	1%	0.013	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-52.5	149.5	-178.8	-25.6	30.7	0	0	0	114.2	I215 T220 A221 Q391 I434 C435	I215-P233 HydrophobicContact CD1-CG 3.73Å; I215-P233 HydrophobicContact CG1-CG 4.22Å; T220-P233 WeakPolarHBondContact OG1-CA 3.26Å; A221-P233 HydrophobicContact CB-CB 4.47Å; A221-P233 HydrophobicContact CB-CG 3.92Å; P233-Q391 PolarHBondContact O-NE2 3.15Å; P233-Q391 PolarHBondContact O-OE1 3.44Å; P233-I434 HydrophobicContact CB-CG2 3.92Å; P233-C435 HydrophobicContact CB-CB 3.83Å; P233-C435 HydrophobicContact CG-CB 3.73Å
234	R	96	Very high	95.3	Very high	42 Å²	42	55.5 Å²	55.5	16%	0.158	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-86.9	146.2	171	-59.7	178.5	-179.7	167.7	5.1	109.6	T220 E224 E227 V243 G244	T220-R234 HydrophobicContact CG2-CB 4.22Å; T220-R234 PolarHBondContact OG1-N 3.45Å; T220-R234 PolarHBondContact OG1-O 2.79Å; E224-R234 HydrophobicContact CG-CG 3.95Å; E224-R234 IonicContact OE1-CZ 3.25Å; E224-R234 IonicContact OE1-NE 2.66Å; E224-R234 PolarHBondContact OE1-NE 2.95Å; E224-R234 IonicContact OE1-NH2 3.35Å; E224-R234 PolarHBondContact OE1-NH2 3.05Å; E227-R234 IonicContact OE1-CZ 2.77Å; E227-R234 IonicContact OE1-NH1 3.1Å; E227-R234 IonicContact OE1-NH2 3.96Å; E227-R234 PolarHBondContact OE1-NH2 2.86Å; E227-R234 IonicContact OE2-NH2 3.29Å; E227-R234 PolarHBondContact OE2-NH2 2.79Å; R234-V243 PolarHBondContact NH1-O 3.34Å; R234-G244 PolarHBondContact NH1-O 3.29Å
235	L	93.9	Very high	95.2	Very high	118 Å²	118	54 Å²	54	62%	0.618	29%	0.294	S	S	*	.	P	Polyproline II helix	trans	-67.5	134.6	167.9	-167.4	69.1	0	0	0	109.4	P237 I434	L235-P237 CarbonylContact O-C 3.59Å; L235-I434 HydrophobicContact CD1-CG1 4.32Å; L235-I434 HydrophobicContact CD1-CG2 4.43Å
236	K	91	Very high	95.2	Very high	71 Å²	71	58 Å²	58	31%	0.309	31%	0.309	S	S	.	.	S	Bend	trans	-99.8	130.6	173	-60.9	174.2	-170	176.5	0	107.7	E218 E219 T220 F239	E218-K236 IonicContact OE1-NZ 2.86Å; E218-K236 PolarHBondContact OE1-NZ 3.29Å; E218-K236 VanDerWaalsContact OE1-NZ 3.1Å; E219-K236 IonicContact OE2-NZ 2.75Å; E219-K236 PolarHBondContact OE2-NZ 3.01Å; T220-K236 HydrophobicContact CG2-CG 4.41Å; K236-F239 HydrophobicContact CB-CD1 4.32Å; K236-F239 HydrophobicContact CB-CE1 4.06Å; K236-F239 HydrophobicContact CD-CD1 4.27Å; K236-F239 HydrophobicContact CD-CE1 4.27Å; K236-F239 HydrophobicContact CG-CD1 4.43Å
237	P	89.3	Confident	95.1	Very high	97 Å²	97	58.8 Å²	58.8	63%	0.63	32%	0.319	S	S	*	.	S	Bend	cis	-74.5	160.9	-4.8	31.5	-35.5	0	0	0	114.1	L235 F239	L235-P237 CarbonylContact O-C 3.59Å; P237-F239 HydrophobicContact CB-CD2 4.48Å; P237-F239 HydrophobicContact CB-CE2 4.41Å
238	P	90.8	Very high	95.1	Very high	58 Å²	58	57.5 Å²	57.5	38%	0.377	32%	0.315	S	S	.	.	S	Bend	cis	-79.6	147.1	8.3	31.7	-35	0	0	0	113.6	V243	P238-V243 HydrophobicContact CB-CB 4.1Å; P238-V243 HydrophobicContact CB-CG2 4.18Å; P238-V243 HydrophobicContact CG-CB 4.08Å; P238-V243 HydrophobicContact CG-CG2 4.44Å
239	F	93.9	Very high	95.1	Very high	113 Å²	113	54.6 Å²	54.6	50%	0.496	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-78.2	151.4	175.4	-68.3	-79.6	0	0	0	111	K236 P237 A241 E242 V243	K236-F239 HydrophobicContact CB-CD1 4.32Å; K236-F239 HydrophobicContact CB-CE1 4.06Å; K236-F239 HydrophobicContact CD-CD1 4.27Å; K236-F239 HydrophobicContact CD-CE1 4.27Å; K236-F239 HydrophobicContact CG-CD1 4.43Å; P237-F239 HydrophobicContact CB-CD2 4.48Å; P237-F239 HydrophobicContact CB-CE2 4.41Å; F239-A241 PolarHBondContact O-N 2.75Å; F239-A241 VanDerWaalsContact O-N 3.11Å; F239-E242 PolarHBondContact O-N 3.05Å; F239-V243 PolarHBondContact O-N 2.83Å
240	P	94	Very high	95.1	Very high	7 Å²	7	49.5 Å²	49.5	5%	0.045	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-33.8	178.1	-30.8	37.3	0	0	0	114.5	E219 T220 L223 E242 G244 T250	E219-P240 HydrophobicContact CG-CG 3.86Å; T220-P240 HydrophobicContact CG2-CG 4.02Å; L223-P240 HydrophobicContact CD1-CB 3.95Å; L223-P240 HydrophobicContact CD1-CG 4.02Å; P240-E242 PolarHBondContact O-N 2.99Å; P240-E242 VanDerWaalsContact O-N 3.09Å; P240-G244 WeakPolarHBondContact O-CA 3.31Å; P240-G244 PolarHBondContact O-N 3.14Å; P240-T250 CarbonylContact C-O 3.54Å; P240-T250 VanDerWaalsContact CB-O 3.28Å; P240-T250 WeakPolarHBondContact CB-O 3.25Å; P240-T250 PolarHBondContact O-N 2.88Å
241	A	94.1	Very high	95.2	Very high	16 Å²	16	43.2 Å²	43.2	13%	0.132	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-13.4	177.4	0	0	0	0	0	113.6	F111 M112 F239 P249 T250	F111-A241 HydrophobicContact CB-CB 3.9Å; M112-A241 HydrophobicContact SD-CB 4.1Å; F239-A241 PolarHBondContact O-N 2.75Å; F239-A241 VanDerWaalsContact O-N 3.11Å; A241-P249 WeakPolarHBondContact O-CB 3.48Å; A241-T250 PolarHBondContact N-O 2.76Å
242	E	93.1	Very high	95.2	Very high	84 Å²	84	42.7 Å²	42.7	39%	0.393	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.9	-49	176.2	-59.4	-174.6	162.4	0	0	111.6	K114 R119 F239 P240	K114-E242 IonicContact NZ-OE1 3.06Å; K114-E242 PolarHBondContact NZ-OE1 3.1Å; R119-E242 PolarHBondContact NH1-O 3.43Å; R119-E242 PolarHBondContact NH2-O 3.16Å; R119-E242 VanDerWaalsContact NH2-O 3.14Å; F239-E242 PolarHBondContact O-N 3.05Å; P240-E242 PolarHBondContact O-N 2.99Å; P240-E242 VanDerWaalsContact O-N 3.09Å
243	V	94.9	Very high	95.2	Very high	55 Å²	55	39.7 Å²	39.7	33%	0.333	21%	0.214	S	C	.	.	S	Bend	trans	-139	89.7	179.9	-173.2	0	0	0	0	108.8	R234 P238 F239	R234-V243 PolarHBondContact NH1-O 3.34Å; P238-V243 HydrophobicContact CB-CB 4.1Å; P238-V243 HydrophobicContact CB-CG2 4.18Å; P238-V243 HydrophobicContact CG-CB 4.08Å; P238-V243 HydrophobicContact CG-CG2 4.44Å; F239-V243 PolarHBondContact O-N 2.83Å
244	G	96.7	Very high	95.3	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.217	C	C	.	.			trans	-110.2	-129.1	-179.2	0	0	0	0	0	112.3	R234 P240 F246 G247 C248	R234-G244 PolarHBondContact NH1-O 3.29Å; P240-G244 WeakPolarHBondContact O-CA 3.31Å; P240-G244 PolarHBondContact O-N 3.14Å; G244-F246 PolarHBondContact O-N 3.17Å; G244-G247 PolarHBondContact O-N 3.17Å; G244-G247 VanDerWaalsContact O-N 3.11Å; G244-C248 CarbonylContact C-O 3.5Å; G244-C248 WeakPolarHBondContact CA-O 3.4Å; G244-C248 PolarHBondContact N-O 3.39Å
245	L	97.6	Very high	95.4	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-61.3	127.6	-175.9	-178.4	63.3	0	0	0	111.6	Y122 V124 Y165 L223 L226 E227 G247 C248 T250	Y122-L245 HydrophobicContact CD2-CB 4.24Å; Y122-L245 HydrophobicContact CD2-CD2 4.22Å; Y122-L245 HydrophobicContact CD2-CG 4.39Å; Y122-L245 HydrophobicContact CG-CD2 4.23Å; V124-L245 HydrophobicContact CG2-CB 4.46Å; V124-L245 HydrophobicContact CG2-CD2 3.98Å; Y165-L245 HydrophobicContact CD2-CD2 3.49Å; Y165-L245 VanDerWaalsContact CD2-CD2 3.49Å; Y165-L245 HydrophobicContact CE2-CD2 3.65Å; Y165-L245 HydrophobicContact CG-CD2 4.07Å; L223-L245 HydrophobicContact CD2-CB 3.95Å; L226-L245 HydrophobicContact CB-CD1 3.99Å; L226-L245 HydrophobicContact CD1-CD1 4.17Å; L226-L245 HydrophobicContact CD1-CD2 4.14Å; L226-L245 HydrophobicContact CD2-CD1 3.67Å; L226-L245 HydrophobicContact CD2-CD2 4.01Å; L226-L245 HydrophobicContact CD2-CG 4.47Å; L226-L245 HydrophobicContact CG-CD1 4.14Å; E227-L245 HydrophobicContact CG-CD1 3.84Å; L245-G247 PolarHBondContact O-N 3.42Å; L245-C248 PolarHBondContact N-O 3.02Å; L245-C248 WeakPolarHBondContact O-CB 3.34Å; L245-C248 PolarHBondContact O-N 2.95Å; L245-T250 HydrophobicContact CB-CG2 4.1Å; L245-T250 WeakPolarHBondContact CB-OG1 3.38Å; L245-T250 PolarHBondContact N-OG1 3.44Å
246	F	97.2	Very high	95.6	Very high	104 Å²	104	32.7 Å²	32.7	46%	0.456	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	53.7	31.7	-175.3	-52.6	-57.4	0	0	0	113.1	Y122 L226 E227 G244 C248	Y122-F246 HydrophobicContact CE2-CD2 4.22Å; L226-F246 HydrophobicContact CD2-CE2 4.5Å; L226-F246 HydrophobicContact CD2-CZ 4.2Å; E227-F246 HydrophobicContact CB-CE1 4.34Å; E227-F246 HydrophobicContact CG-CD1 3.75Å; E227-F246 HydrophobicContact CG-CE1 3.82Å; E227-F246 PolarHBondContact OE1-N 2.68Å; G244-F246 PolarHBondContact O-N 3.17Å; F246-C248 PolarHBondContact O-N 3.49Å
247	G	95.2	Very high	96	Very high	27 Å²	27	29.5 Å²	29.5	28%	0.278	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	69.2	12.4	-175.1	0	0	0	0	0	114.3	R119 G244 L245	R119-G247 PolarHBondContact NH1-O 2.85Å; G244-G247 PolarHBondContact O-N 3.17Å; G244-G247 VanDerWaalsContact O-N 3.11Å; L245-G247 PolarHBondContact O-N 3.42Å
248	C	96.9	Very high	96.4	Very high	13 Å²	13	24.9 Å²	24.9	9%	0.088	14%	0.136	C	C	.	.	S	Bend	trans	-100	150.8	-178.4	-64.7	0	0	0	0	111.7	P120 Y122 G244 L245 F246 T250	P120-C248 VanDerWaalsContact O-CB 3.22Å; P120-C248 WeakPolarHBondContact O-CB 3.14Å; Y122-C248 HydrophobicContact CD2-CB 3.77Å; Y122-C248 HydrophobicContact CE2-CB 3.74Å; G244-C248 CarbonylContact C-O 3.5Å; G244-C248 WeakPolarHBondContact CA-O 3.4Å; G244-C248 PolarHBondContact N-O 3.39Å; L245-C248 PolarHBondContact N-O 3.02Å; L245-C248 WeakPolarHBondContact O-CB 3.34Å; L245-C248 PolarHBondContact O-N 2.95Å; F246-C248 PolarHBondContact O-N 3.49Å; C248-T250 PolarHBondContact O-N 2.86Å; C248-T250 PolarHBondContact O-OG1 3.08Å
249	P	97.2	Very high	96.8	Very high	10 Å²	10	22.1 Å²	22.1	7%	0.065	12%	0.118	C	C	.	.			trans	-54	125.5	175	-25.8	36.2	0	0	0	110.9	M112 R121 Y122 A241	M112-P249 HydrophobicContact CE-CB 3.86Å; M112-P249 VanDerWaalsContact CE-O 3.23Å; M112-P249 WeakPolarHBondContact CE-O 3.46Å; M112-P249 HydrophobicContact SD-CB 4.16Å; R121-P249 WeakPolarHBondContact CA-O 3.45Å; R121-P249 HydrophobicContact CG-CB 4.2Å; Y122-P249 PolarHBondContact N-O 3.41Å; A241-P249 WeakPolarHBondContact O-CB 3.48Å
250	T	97.9	Very high	97	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	-142.5	140.1	-173.9	-55.6	0	0	0	0	111.7	Y122 V124 L223 P240 A241 L245 C248	Y122-T250 VanDerWaalsContact O-CA 3.28Å; Y122-T250 WeakPolarHBondContact O-CA 3.23Å; V124-T250 HydrophobicContact CB-CG2 4.09Å; V124-T250 HydrophobicContact CG2-CG2 3.46Å; V124-T250 VanDerWaalsContact CG2-CG2 3.46Å; L223-T250 HydrophobicContact CD2-CG2 3.82Å; P240-T250 CarbonylContact C-O 3.54Å; P240-T250 VanDerWaalsContact CB-O 3.28Å; P240-T250 WeakPolarHBondContact CB-O 3.25Å; P240-T250 PolarHBondContact O-N 2.88Å; A241-T250 PolarHBondContact N-O 2.76Å; L245-T250 HydrophobicContact CB-CG2 4.1Å; L245-T250 WeakPolarHBondContact CB-OG1 3.38Å; L245-T250 PolarHBondContact N-OG1 3.44Å; C248-T250 PolarHBondContact O-N 2.86Å; C248-T250 PolarHBondContact O-OG1 3.08Å
251	T	97.5	Very high	97.2	Very high	3 Å²	3	16.4 Å²	16.4	2%	0.018	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	127.9	166.2	-73.1	0	0	0	0	110	K108 M112 Y122 V124 M159	K108-T251 HydrophobicContact CD-CG2 4.24Å; K108-T251 HydrophobicContact CG-CG2 4.22Å; M112-T251 WeakPolarHBondContact CG-OG1 3.37Å; Y122-T251 PolarHBondContact O-N 3.5Å; V124-T251 PolarHBondContact N-O 2.82Å; M159-T251 HydrophobicContact CE-CG2 4.44Å; M159-T251 VanDerWaalsContact SD-CB 3.6Å; M159-T251 HydrophobicContact SD-CG2 3.83Å
252	V	97.6	Very high	97.4	Very high	3 Å²	3	15.6 Å²	15.6	2%	0.018	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	133.1	169.9	-174.1	0	0	0	0	109.6	K108 V124 N126 E219 L222 L223	K108-V252 WeakPolarHBondContact CE-O 3.47Å; K108-V252 PolarHBondContact NZ-O 3.19Å; V124-V252 HydrophobicContact CB-CG2 4.14Å; V124-V252 HydrophobicContact CG1-CG2 4.37Å; V124-V252 CarbonylContact O-C 3.6Å; V124-V252 VanDerWaalsContact O-CA 3.25Å; V124-V252 WeakPolarHBondContact O-CA 3.38Å; N126-V252 HydrophobicContact CB-CG1 3.88Å; E219-V252 HydrophobicContact CB-CB 4.28Å; E219-V252 HydrophobicContact CB-CG1 4.46Å; E219-V252 HydrophobicContact CG-CB 3.81Å; E219-V252 HydrophobicContact CG-CG1 4.49Å; E219-V252 HydrophobicContact CG-CG2 3.8Å; L222-V252 HydrophobicContact CD1-CG1 4.38Å; L223-V252 HydrophobicContact CD1-CG2 4.37Å; L223-V252 HydrophobicContact CD2-CG2 3.8Å; L223-V252 HydrophobicContact CG-CG2 4.14Å
253	T	97.8	Very high	97.7	Very high	10 Å²	10	12.2 Å²	12.2	6%	0.061	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	142.8	-179.2	175.5	0	0	0	0	111	L123 V124 I125 N126 V258	L123-T253 HydrophobicContact CD1-CG2 3.54Å; V124-T253 PolarHBondContact O-N 3.21Å; I125-T253 CarbonylContact C-O 3.08Å; I125-T253 WeakPolarHBondContact CA-O 3.35Å; I125-T253 HydrophobicContact CD1-CG2 3.99Å; N126-T253 PolarHBondContact N-O 2.84Å; T253-V258 HydrophobicContact CG2-CG2 3.11Å; T253-V258 WeakPolarHBondContact OG1-CG2 3.49Å
254	N	98.1	Very high	97.8	Very high	16 Å²	16	9.6 Å²	9.6	9%	0.086	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	149.6	-178.6	175.9	-80	0	0	0	111	K136 D137 E256 T257 V258	K136-N254 PolarHBondContact NZ-OD1 3.43Å; D137-N254 PolarHBondContact OD1-OD1 3.14Å; D137-N254 VanDerWaalsContact OD1-OD1 3.1Å; D137-N254 PolarHBondContact OD2-ND2 3.01Å; N254-E256 VanDerWaalsContact C-N 3.34Å; N254-E256 PolarHBondContact O-N 2.92Å; N254-E256 WeakPolarHBondContact OD1-CB 3.33Å; N254-E256 PolarHBondContact OD1-N 3.24Å; N254-T257 WeakPolarHBondContact O-CB 3.1Å; N254-T257 PolarHBondContact O-N 3.1Å; N254-T257 VanDerWaalsContact O-N 3.07Å; N254-V258 PolarHBondContact O-N 3.47Å
255	V	98.6	Very high	97.9	Very high	0 Å²	0	10 Å²	10	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-45.6	-53.7	177.8	172.6	0	0	0	0	112.3	I125 N126 A127 D137 I140 L148 T257 V258 A259	I125-V255 HydrophobicContact CG2-CB 4.46Å; I125-V255 HydrophobicContact CG2-CG2 3.69Å; N126-V255 PolarHBondContact O-N 3.24Å; A127-V255 HydrophobicContact CB-CG2 3.52Å; D137-V255 HydrophobicContact CB-CB 3.94Å; D137-V255 HydrophobicContact CB-CG1 4.31Å; D137-V255 HydrophobicContact CB-CG2 4.12Å; I140-V255 HydrophobicContact CB-CG1 3.77Å; I140-V255 HydrophobicContact CD1-CG1 3.78Å; I140-V255 HydrophobicContact CG1-CG1 4.38Å; I140-V255 HydrophobicContact CG2-CG1 3.61Å; L148-V255 HydrophobicContact CD1-CB 4.49Å; L148-V255 HydrophobicContact CD1-CG1 4.02Å; L148-V255 HydrophobicContact CD2-CG1 4.01Å; L148-V255 HydrophobicContact CD2-CG2 4.38Å; L148-V255 HydrophobicContact CG-CG1 4.48Å; V255-T257 VanDerWaalsContact C-N 3.3Å; V255-T257 PolarHBondContact O-N 2.99Å; V255-V258 PolarHBondContact O-N 3.07Å; V255-A259 VanDerWaalsContact O-CB 3.3Å; V255-A259 WeakPolarHBondContact O-CB 3.48Å; V255-A259 PolarHBondContact O-N 2.91Å
256	E	98.6	Very high	97.9	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-60.7	-39.1	-177.7	-174.9	-173.4	173.9	0	0	112	F52 R98 K136 I140 N254 V258 V260 K284 L285	F52-E256 HydrophobicContact CE2-CG 4.03Å; F52-E256 HydrophobicContact CZ-CG 3.97Å; R98-E256 HydrophobicContact CB-CB 3.85Å; R98-E256 HydrophobicContact CB-CG 3.91Å; R98-E256 WeakPolarHBondContact CB-OE2 3.44Å; R98-E256 HydrophobicContact CG-CB 4.33Å; R98-E256 HydrophobicContact CG-CG 3.95Å; K136-E256 VanDerWaalsContact CD-OE2 3.25Å; K136-E256 WeakPolarHBondContact CD-OE2 3.4Å; K136-E256 VanDerWaalsContact CE-OE2 3.29Å; K136-E256 WeakPolarHBondContact CE-OE2 3.42Å; K136-E256 IonicContact NZ-OE2 3.21Å; K136-E256 PolarHBondContact NZ-OE2 2.62Å; I140-E256 HydrophobicContact CD1-CB 3.94Å; I140-E256 HydrophobicContact CD1-CG 4.37Å; N254-E256 VanDerWaalsContact C-N 3.34Å; N254-E256 PolarHBondContact O-N 2.92Å; N254-E256 WeakPolarHBondContact OD1-CB 3.33Å; N254-E256 PolarHBondContact OD1-N 3.24Å; E256-V258 VanDerWaalsContact C-N 3.3Å; E256-V258 PolarHBondContact O-N 2.85Å; E256-V260 WeakPolarHBondContact O-CG1 3.43Å; E256-V260 WeakPolarHBondContact O-CG2 3.24Å; E256-V260 PolarHBondContact O-N 3.24Å; E256-V260 VanDerWaalsContact O-N 3.17Å; E256-K284 WeakPolarHBondContact OE1-CD 3.34Å; E256-K284 IonicContact OE1-NZ 2.75Å; E256-K284 PolarHBondContact OE1-NZ 3.29Å; E256-K284 IonicContact OE2-NZ 3.39Å; E256-K284 PolarHBondContact OE2-NZ 3.47Å; E256-L285 HydrophobicContact CG-CD1 4.22Å; E256-L285 PolarHBondContact OE1-N 2.84Å
257	T	98.3	Very high	98	Very high	3 Å²	3	12.9 Å²	12.9	2%	0.018	7%	0.066	C	C	.	.	H	α-helix	trans	-65.7	-36.1	-179.7	-52.1	0	0	0	0	111.6	L95 R98 A105 N254 V255 V260	L95-T257 HydrophobicContact CD2-CG2 3.92Å; L95-T257 HydrophobicContact CG-CG2 4.39Å; R98-T257 VanDerWaalsContact CB-OG1 3.29Å; R98-T257 WeakPolarHBondContact CB-OG1 3.42Å; R98-T257 PolarHBondContact N-OG1 2.71Å; A105-T257 HydrophobicContact CB-CG2 3.76Å; N254-T257 WeakPolarHBondContact O-CB 3.1Å; N254-T257 PolarHBondContact O-N 3.1Å; N254-T257 VanDerWaalsContact O-N 3.07Å; V255-T257 VanDerWaalsContact C-N 3.3Å; V255-T257 PolarHBondContact O-N 2.99Å; T257-V260 WeakPolarHBondContact O-CG2 3.37Å
258	V	98.2	Very high	98.1	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-80.1	-42.8	179.4	175.5	0	0	0	0	111.4	I125 L148 G151 A155 T253 N254 V255 E256 V260 S261 P262	I125-V258 HydrophobicContact CD1-CB 4.15Å; I125-V258 HydrophobicContact CD1-CG1 3.98Å; I125-V258 HydrophobicContact CD1-CG2 3.68Å; L148-V258 HydrophobicContact CD1-CB 4.39Å; L148-V258 HydrophobicContact CD1-CG1 4.28Å; G151-V258 WeakPolarHBondContact CA-O 3.5Å; G151-V258 WeakPolarHBondContact O-CG1 3.33Å; A155-V258 HydrophobicContact CB-CG1 4.37Å; T253-V258 HydrophobicContact CG2-CG2 3.11Å; T253-V258 WeakPolarHBondContact OG1-CG2 3.49Å; N254-V258 PolarHBondContact O-N 3.47Å; V255-V258 PolarHBondContact O-N 3.07Å; E256-V258 VanDerWaalsContact C-N 3.3Å; E256-V258 PolarHBondContact O-N 2.85Å; V258-V260 VanDerWaalsContact C-N 3.29Å; V258-V260 PolarHBondContact O-N 3.18Å; V258-S261 WeakPolarHBondContact O-CB 3.26Å; V258-S261 PolarHBondContact O-N 3.04Å; V258-S261 PolarHBondContact O-OG 3.02Å; V258-P262 WeakPolarHBondContact O-CD 3.42Å
259	A	98.6	Very high	98.1	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-68.1	-24.3	-176.9	0	0	0	0	0	113.4	F52 I140 K147 L148 V255 S261 P262	F52-A259 HydrophobicContact CE1-CB 3.74Å; F52-A259 HydrophobicContact CZ-CB 4.17Å; I140-A259 HydrophobicContact CG2-CB 4.03Å; K147-A259 HydrophobicContact CG-CB 4.47Å; K147-A259 WeakPolarHBondContact CG-O 3.46Å; L148-A259 HydrophobicContact CB-CB 4.39Å; L148-A259 HydrophobicContact CD1-CB 4.46Å; V255-A259 VanDerWaalsContact O-CB 3.3Å; V255-A259 WeakPolarHBondContact O-CB 3.48Å; V255-A259 PolarHBondContact O-N 2.91Å; A259-S261 VanDerWaalsContact C-N 3.34Å; A259-P262 WeakPolarHBondContact O-CD 3.4Å
260	V	98.4	Very high	98.1	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-23.5	171.8	-62.7	0	0	0	0	113.2	I51 F52 L95 E256 T257 V258 P262 T263 I264	I51-V260 HydrophobicContact CD1-CB 4.02Å; I51-V260 HydrophobicContact CD1-CG1 3.87Å; I51-V260 HydrophobicContact CG2-CB 4.45Å; I51-V260 HydrophobicContact CG2-CG1 4.13Å; F52-V260 HydrophobicContact CE2-CG1 3.69Å; F52-V260 HydrophobicContact CZ-CG1 3.58Å; L95-V260 HydrophobicContact CD1-CG2 3.96Å; L95-V260 HydrophobicContact CD2-CG2 3.77Å; E256-V260 WeakPolarHBondContact O-CG1 3.43Å; E256-V260 WeakPolarHBondContact O-CG2 3.24Å; E256-V260 PolarHBondContact O-N 3.24Å; E256-V260 VanDerWaalsContact O-N 3.17Å; T257-V260 WeakPolarHBondContact O-CG2 3.37Å; V258-V260 VanDerWaalsContact C-N 3.29Å; V258-V260 PolarHBondContact O-N 3.18Å; V260-P262 VanDerWaalsContact C-CD 3.47Å; V260-T263 PolarHBondContact O-N 2.7Å; V260-T263 VanDerWaalsContact O-N 3.12Å; V260-I264 HydrophobicContact CB-CD1 4.28Å; V260-I264 HydrophobicContact CG2-CD1 3.86Å; V260-I264 WeakPolarHBondContact O-CG1 3.4Å; V260-I264 PolarHBondContact O-N 2.89Å
261	S	98.3	Very high	98.1	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-61	-37.4	-170.6	71.6	0	0	0	0	115.4	V258 A259 T263 I264 C265	V258-S261 WeakPolarHBondContact O-CB 3.26Å; V258-S261 PolarHBondContact O-N 3.04Å; V258-S261 PolarHBondContact O-OG 3.02Å; A259-S261 VanDerWaalsContact C-N 3.34Å; S261-T263 VanDerWaalsContact C-N 3.32Å; S261-T263 PolarHBondContact O-N 2.91Å; S261-I264 PolarHBondContact O-N 3.19Å; S261-C265 PolarHBondContact O-N 2.83Å; S261-C265 PolarHBondContact O-SG 3.38Å
262	P	98.6	Very high	98.1	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-61.8	-41.7	174.7	-21.4	34.1	0	0	0	112.4	E150 G151 I154 V258 A259 V260 C265 R266	E150-P262 HydrophobicContact CB-CB 4.45Å; E150-P262 HydrophobicContact CB-CG 3.98Å; E150-P262 HydrophobicContact CG-CB 3.84Å; E150-P262 HydrophobicContact CG-CG 3.79Å; E150-P262 WeakPolarHBondContact OE2-CB 3.45Å; G151-P262 VanDerWaalsContact CA-CG 3.45Å; G151-P262 VanDerWaalsContact N-CG 3.3Å; I154-P262 HydrophobicContact CD1-CB 3.67Å; I154-P262 HydrophobicContact CD1-CG 3.99Å; V258-P262 WeakPolarHBondContact O-CD 3.42Å; A259-P262 WeakPolarHBondContact O-CD 3.4Å; V260-P262 VanDerWaalsContact C-CD 3.47Å; P262-C265 PolarHBondContact O-N 2.84Å; P262-R266 WeakPolarHBondContact O-CB 3.29Å; P262-R266 WeakPolarHBondContact O-CG 3.42Å; P262-R266 PolarHBondContact O-N 3.47Å
263	T	98.5	Very high	98.1	Very high	13 Å²	13	18.1 Å²	18.1	8%	0.08	10%	0.103	C	C	.	.	H	α-helix	trans	-69.8	-37.1	-179.1	-53.5	0	0	0	0	111	I51 V260 S261 R266 R267 W271	I51-T263 HydrophobicContact CG1-CG2 4.06Å; I51-T263 HydrophobicContact CG2-CG2 4.19Å; V260-T263 PolarHBondContact O-N 2.7Å; V260-T263 VanDerWaalsContact O-N 3.12Å; S261-T263 VanDerWaalsContact C-N 3.32Å; S261-T263 PolarHBondContact O-N 2.91Å; T263-R266 PolarHBondContact O-N 3.19Å; T263-R267 HydrophobicContact CG2-CG 4.05Å; T263-R267 WeakPolarHBondContact O-CB 3.41Å; T263-R267 PolarHBondContact O-N 3.14Å; T263-W271 HydrophobicContact CG2-CH2 4.38Å; T263-W271 HydrophobicContact CG2-CZ3 4.14Å
264	I	98.5	Very high	98.1	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-59.4	-50	171.6	-68.6	171.7	0	0	0	110.3	L95 V260 S261 R266 G268 F272	L95-I264 HydrophobicContact CB-CD1 4.31Å; L95-I264 HydrophobicContact CD2-CD1 3.89Å; L95-I264 HydrophobicContact CG-CD1 4.47Å; V260-I264 HydrophobicContact CB-CD1 4.28Å; V260-I264 HydrophobicContact CG2-CD1 3.86Å; V260-I264 WeakPolarHBondContact O-CG1 3.4Å; V260-I264 PolarHBondContact O-N 2.89Å; S261-I264 PolarHBondContact O-N 3.19Å; I264-R266 VanDerWaalsContact C-N 3.28Å; I264-R266 PolarHBondContact O-N 2.84Å; I264-G268 CarbonylContact O-C 3.35Å; I264-G268 VanDerWaalsContact O-C 3.26Å; I264-G268 VanDerWaalsContact O-CA 3.23Å; I264-G268 WeakPolarHBondContact O-CA 3.41Å; I264-G268 PolarHBondContact O-N 3.43Å; I264-F272 HydrophobicContact CD1-CD1 4Å; I264-F272 HydrophobicContact CD1-CD2 4.15Å; I264-F272 HydrophobicContact CD1-CE1 4.09Å; I264-F272 HydrophobicContact CD1-CE2 4.26Å; I264-F272 HydrophobicContact CD1-CG 4Å; I264-F272 HydrophobicContact CD1-CZ 4.21Å; I264-F272 HydrophobicContact CG1-CB 4.08Å; I264-F272 HydrophobicContact CG1-CD1 4.37Å; I264-F272 HydrophobicContact CG1-CD2 3.93Å; I264-F272 HydrophobicContact CG1-CE2 4.42Å; I264-F272 HydrophobicContact CG1-CG 3.88Å
265	C	98.4	Very high	98	Very high	7 Å²	7	20.8 Å²	20.8	5%	0.047	12%	0.121	C	C	.	.	H	α-helix	trans	-64.7	-30.3	178.4	-67.5	0	0	0	0	113.1	I78 W85 S261 P262	I78-C265 HydrophobicContact CD1-CB 3.97Å; I78-C265 HydrophobicContact CG1-CB 4.33Å; I78-C265 HydrophobicContact CG2-CB 4.11Å; W85-C265 HydrophobicContact CH2-CB 4.21Å; W85-C265 HydrophobicContact CZ3-CB 4.14Å; S261-C265 PolarHBondContact O-N 2.83Å; S261-C265 PolarHBondContact O-SG 3.38Å; P262-C265 PolarHBondContact O-N 2.84Å
266	R	98.4	Very high	97.9	Very high	59 Å²	59	21.3 Å²	21.3	22%	0.223	13%	0.126	C	C	.	.	H	α-helix	trans	-77.9	-47.8	177.7	-79.5	-168.3	-74.9	-83	13.5	113.7	G70 D71 Y73 I78 E150 P262 T263 I264	G70-R266 PolarHBondContact O-NE 2.97Å; G70-R266 PolarHBondContact O-NH2 3.35Å; D71-R266 IonicContact OD1-NH2 2.68Å; Y73-R266 WeakPolarHBondContact O-CD 3.44Å; I78-R266 HydrophobicContact CD1-CG 3.77Å; E150-R266 IonicContact OE1-CZ 3.9Å; E150-R266 IonicContact OE1-NH1 2.92Å; E150-R266 PolarHBondContact OE1-NH1 3.49Å; E150-R266 IonicContact OE1-NH2 3.98Å; E150-R266 IonicContact OE2-CZ 3.48Å; E150-R266 IonicContact OE2-NH1 3.37Å; E150-R266 PolarHBondContact OE2-NH1 2.73Å; E150-R266 IonicContact OE2-NH2 3.9Å; E150-R266 PolarHBondContact OE2-NH2 2.66Å; P262-R266 WeakPolarHBondContact O-CB 3.29Å; P262-R266 WeakPolarHBondContact O-CG 3.42Å; P262-R266 PolarHBondContact O-N 3.47Å; T263-R266 PolarHBondContact O-N 3.19Å; I264-R266 VanDerWaalsContact C-N 3.28Å; I264-R266 PolarHBondContact O-N 2.84Å
267	R	97.9	Very high	97.8	Very high	106 Å²	106	24.3 Å²	24.3	40%	0.4	14%	0.138	S	C	.	.	H	α-helix	trans	-88.5	-13	-175.6	-61.1	-167.2	76.9	176.3	2	113	E48 D49 T263 W271	E48-R267 PolarHBondContact O-NH1 3.19Å; D49-R267 IonicContact OD1-CZ 3.99Å; D49-R267 IonicContact OD1-NH1 3.34Å; D49-R267 IonicContact OD1-NH2 2.66Å; D49-R267 PolarHBondContact OD1-NH2 2.86Å; T263-R267 HydrophobicContact CG2-CG 4.05Å; T263-R267 WeakPolarHBondContact O-CB 3.41Å; T263-R267 PolarHBondContact O-N 3.14Å; R267-W271 HydrophobicContact CB-CB 4.43Å; R267-W271 HydrophobicContact CB-CD2 3.79Å; R267-W271 HydrophobicContact CB-CE3 3.51Å; R267-W271 HydrophobicContact CB-CG 4.19Å; R267-W271 HydrophobicContact CB-CZ3 4.12Å; R267-W271 HydrophobicContact CG-CE3 4.26Å; R267-W271 HydrophobicContact CG-CZ3 4.45Å; R267-W271 VanDerWaalsContact CZ-CZ2 3.48Å
268	G	97.3	Very high	97.6	Very high	22 Å²	22	30.4 Å²	30.4	23%	0.227	17%	0.166	C	C	.	.			trans	94.6	142.2	-179.8	0	0	0	0	0	112.5	I264 A270 W271	I264-G268 CarbonylContact O-C 3.35Å; I264-G268 VanDerWaalsContact O-C 3.26Å; I264-G268 VanDerWaalsContact O-CA 3.23Å; I264-G268 WeakPolarHBondContact O-CA 3.41Å; I264-G268 PolarHBondContact O-N 3.43Å; G268-A270 PolarHBondContact O-N 2.87Å; G268-W271 PolarHBondContact O-N 2.93Å; G268-W271 VanDerWaalsContact O-N 3.13Å
269	G	97.1	Very high	97.3	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.01	20%	0.195	C	C	.	.	H	α-helix	trans	-55.2	-40.1	177	0	0	0	0	0	112.9	E89 S93 W271 F272 A273	E89-G269 PolarHBondContact OE2-N 3.14Å; S93-G269 WeakPolarHBondContact CA-O 3.43Å; G269-W271 VanDerWaalsContact C-N 3.3Å; G269-W271 PolarHBondContact O-N 3.36Å; G269-F272 PolarHBondContact O-N 3.35Å; G269-F272 VanDerWaalsContact O-N 3.16Å; G269-A273 WeakPolarHBondContact O-CB 3.28Å; G269-A273 PolarHBondContact O-N 3.45Å
270	A	97.3	Very high	97.2	Very high	78 Å²	78	38.2 Å²	38.2	65%	0.645	20%	0.195	S	C	*	.	H	α-helix	trans	-60.7	-33.9	178.8	0	0	0	0	0	114	G268 A273 S274	G268-A270 PolarHBondContact O-N 2.87Å; A270-A273 PolarHBondContact O-N 3.44Å; A270-S274 PolarHBondContact O-N 3.48Å; A270-S274 VanDerWaalsContact O-N 3.08Å
271	W	98.2	Very high	97.1	Very high	40 Å²	40	40 Å²	40	15%	0.152	20%	0.204	C	C	.	.	H	α-helix	trans	-65.3	-47.1	175.2	165.3	79.5	0	0	0	110.4	D49 I51 T263 R267 G268 G269 A273 S274 F275	D49-W271 HydrophobicContact CB-CZ2 4.23Å; D49-W271 WeakPolarHBondContact O-CZ2 3.24Å; D49-W271 PolarHBondContact OD1-NE1 3.34Å; D49-W271 VanDerWaalsContact OD1-NE1 3.11Å; I51-W271 HydrophobicContact CD1-CH2 4.1Å; I51-W271 HydrophobicContact CD1-CZ3 4.16Å; I51-W271 HydrophobicContact CG1-CH2 3.8Å; I51-W271 HydrophobicContact CG1-CZ3 4.28Å; T263-W271 HydrophobicContact CG2-CH2 4.38Å; T263-W271 HydrophobicContact CG2-CZ3 4.14Å; R267-W271 HydrophobicContact CB-CB 4.43Å; R267-W271 HydrophobicContact CB-CD2 3.79Å; R267-W271 HydrophobicContact CB-CE3 3.51Å; R267-W271 HydrophobicContact CB-CG 4.19Å; R267-W271 HydrophobicContact CB-CZ3 4.12Å; R267-W271 HydrophobicContact CG-CE3 4.26Å; R267-W271 HydrophobicContact CG-CZ3 4.45Å; R267-W271 VanDerWaalsContact CZ-CZ2 3.48Å; G268-W271 PolarHBondContact O-N 2.93Å; G268-W271 VanDerWaalsContact O-N 3.13Å; G269-W271 VanDerWaalsContact C-N 3.3Å; G269-W271 PolarHBondContact O-N 3.36Å; W271-A273 VanDerWaalsContact C-N 3.32Å; W271-A273 PolarHBondContact O-N 3Å; W271-S274 WeakPolarHBondContact O-CB 3.23Å; W271-S274 PolarHBondContact O-N 3.19Å; W271-S274 VanDerWaalsContact O-N 3.13Å; W271-S274 PolarHBondContact O-OG 3.41Å; W271-F275 HydrophobicContact CD2-CE2 4.14Å; W271-F275 AromaticContact CE2-CE2 3.54Å; W271-F275 HydrophobicContact CH2-CE2 4.35Å; W271-F275 AromaticContact CZ2-CE2 3.65Å; W271-F275 HydrophobicContact CZ2-CE2 3.65Å; W271-F275 HydrophobicContact CZ2-CZ 4.19Å; W271-F275 AromaticContact NE1-CE2 3.64Å; W271-F275 AromaticContact NE1-CZ 3.78Å; W271-F275 WeakPolarHBondContact O-CD2 3.48Å; W271-F275 WeakPolarHBondContact O-CE2 3.09Å
272	F	98.1	Very high	97.1	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-65	-37.7	176.9	-168.7	-99.7	0	0	0	112	I51 S93 L95 I264 G269 S274 F275 G282	I51-F272 HydrophobicContact CD1-CD2 3.87Å; I51-F272 HydrophobicContact CD1-CE2 3.63Å; S93-F272 WeakPolarHBondContact O-CD1 3.08Å; L95-F272 HydrophobicContact CB-CE1 4.04Å; L95-F272 HydrophobicContact CD1-CE1 3.68Å; L95-F272 HydrophobicContact CD1-CZ 3.72Å; L95-F272 HydrophobicContact CG-CE1 4.46Å; I264-F272 HydrophobicContact CD1-CD1 4Å; I264-F272 HydrophobicContact CD1-CD2 4.15Å; I264-F272 HydrophobicContact CD1-CE1 4.09Å; I264-F272 HydrophobicContact CD1-CE2 4.26Å; I264-F272 HydrophobicContact CD1-CG 4Å; I264-F272 HydrophobicContact CD1-CZ 4.21Å; I264-F272 HydrophobicContact CG1-CB 4.08Å; I264-F272 HydrophobicContact CG1-CD1 4.37Å; I264-F272 HydrophobicContact CG1-CD2 3.93Å; I264-F272 HydrophobicContact CG1-CE2 4.42Å; I264-F272 HydrophobicContact CG1-CG 3.88Å; G269-F272 PolarHBondContact O-N 3.35Å; G269-F272 VanDerWaalsContact O-N 3.16Å; F272-S274 PolarHBondContact O-N 3.11Å; F272-F275 PolarHBondContact O-N 2.76Å; F272-G282 VanDerWaalsContact CE1-CA 3.43Å; F272-G282 VanDerWaalsContact CZ-CA 3.43Å; F272-G282 VanDerWaalsContact O-CA 3.31Å; F272-G282 WeakPolarHBondContact O-CA 3.41Å; F272-G282 PolarHBondContact O-N 3.3Å
273	A	97.2	Very high	97.1	Very high	25 Å²	25	40 Å²	40	21%	0.207	20%	0.204	C	C	.	.	H	α-helix	trans	-67.2	-17.2	175.3	0	0	0	0	0	114	G269 A270 W271 F275 H281	G269-A273 WeakPolarHBondContact O-CB 3.28Å; G269-A273 PolarHBondContact O-N 3.45Å; A270-A273 PolarHBondContact O-N 3.44Å; W271-A273 VanDerWaalsContact C-N 3.32Å; W271-A273 PolarHBondContact O-N 3Å; A273-F275 PolarHBondContact O-N 2.9Å; A273-H281 PolarHBondContact O-CE1 3.03Å; A273-H281 PolarHBondContact O-ND1 3.18Å
274	S	96.4	Very high	97.1	Very high	68 Å²	68	39.3 Å²	39.3	48%	0.476	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-14.5	177.9	79.2	0	0	0	0	113.7	A270 W271 F272	A270-S274 PolarHBondContact O-N 3.48Å; A270-S274 VanDerWaalsContact O-N 3.08Å; W271-S274 WeakPolarHBondContact O-CB 3.23Å; W271-S274 PolarHBondContact O-N 3.19Å; W271-S274 VanDerWaalsContact O-N 3.13Å; W271-S274 PolarHBondContact O-OG 3.41Å; F272-S274 PolarHBondContact O-N 3.11Å
275	F	97	Very high	97.1	Very high	15 Å²	15	39.3 Å²	39.3	7%	0.066	20%	0.2	C	C	.	.	S	Bend	trans	-95.6	145.2	176.6	-60.6	-65.2	0	0	0	111.8	L45 D49 W271 F272 A273 H281 G282 T283 E301	L45-F275 HydrophobicContact CD1-CD1 3.92Å; L45-F275 HydrophobicContact CD1-CE1 3.59Å; L45-F275 HydrophobicContact CD1-CZ 4.03Å; D49-F275 HydrophobicContact CB-CE1 4.29Å; D49-F275 HydrophobicContact CB-CZ 3.72Å; W271-F275 HydrophobicContact CD2-CE2 4.14Å; W271-F275 AromaticContact CE2-CE2 3.54Å; W271-F275 HydrophobicContact CH2-CE2 4.35Å; W271-F275 AromaticContact CZ2-CE2 3.65Å; W271-F275 HydrophobicContact CZ2-CE2 3.65Å; W271-F275 HydrophobicContact CZ2-CZ 4.19Å; W271-F275 AromaticContact NE1-CE2 3.64Å; W271-F275 AromaticContact NE1-CZ 3.78Å; W271-F275 WeakPolarHBondContact O-CD2 3.48Å; W271-F275 WeakPolarHBondContact O-CE2 3.09Å; F272-F275 PolarHBondContact O-N 2.76Å; A273-F275 PolarHBondContact O-N 2.9Å; F275-H281 VanDerWaalsContact O-CA 3.25Å; F275-H281 WeakPolarHBondContact O-CA 3.35Å; F275-G282 PolarHBondContact O-N 2.79Å; F275-T283 HydrophobicContact CD2-CG2 4.44Å; F275-E301 VanDerWaalsContact CA-OE1 3.28Å; F275-E301 WeakPolarHBondContact CA-OE1 3.3Å; F275-E301 HydrophobicContact CB-CG 3.76Å; F275-E301 HydrophobicContact CD1-CG 3.9Å; F275-E301 HydrophobicContact CG-CG 4.23Å
276	G	96.3	Very high	97.1	Very high	10 Å²	10	39 Å²	39	10%	0.103	20%	0.198	C	C	.	.	S	Bend	trans	73.7	174.3	176.8	0	0	0	0	0	114.5	F42 E301 M302	F42-G276 VanDerWaalsContact CE1-C 3.42Å; F42-G276 WeakPolarHBondContact CE1-O 3.11Å; G276-E301 PolarHBondContact N-OE1 2.99Å; G276-M302 WeakPolarHBondContact CA-O 3.48Å
277	R	95.7	Very high	97.1	Very high	63 Å²	63	36.3 Å²	36.3	24%	0.238	19%	0.188	C	C	.	.	S	Bend	trans	-69.6	162.4	175.5	-70.5	-171.5	-49.4	118.8	3.9	111.3	F42 R279 N280 S303 D348	F42-R277 HydrophobicContact CD2-CG 4.26Å; F42-R277 HydrophobicContact CE1-CG 4.01Å; F42-R277 HydrophobicContact CE2-CG 3.42Å; F42-R277 VanDerWaalsContact CE2-CG 3.42Å; F42-R277 HydrophobicContact CZ-CB 4.32Å; F42-R277 HydrophobicContact CZ-CG 3.27Å; R277-R279 PolarHBondContact O-N 2.74Å; R277-N280 HydrophobicContact CB-CB 4.47Å; R277-N280 CarbonylContact O-C 3.53Å; R277-N280 WeakPolarHBondContact O-CA 2.98Å; R277-N280 PolarHBondContact O-N 3.45Å; R277-S303 WeakPolarHBondContact CB-OG 3.46Å; R277-S303 WeakPolarHBondContact CG-OG 3.38Å; R277-S303 PolarHBondContact N-OG 2.72Å; R277-D348 IonicContact CZ-OD1 2.77Å; R277-D348 IonicContact CZ-OD2 2.83Å; R277-D348 IonicContact NE-OD2 3.3Å; R277-D348 PolarHBondContact NE-OD2 3.15Å; R277-D348 IonicContact NH2-OD1 2.84Å; R277-D348 PolarHBondContact NH2-OD1 3.26Å; R277-D348 IonicContact NH2-OD2 3.37Å; R277-D348 PolarHBondContact NH2-OD2 3.46Å
278	E	94.1	Very high	97.1	Very high	132 Å²	132	31.4 Å²	31.4	62%	0.617	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-48.7	135.5	169.7	-161.1	-173.9	158.6	0	0	110.7	N280	E278-N280 PolarHBondContact O-N 3.48Å; E278-N280 VanDerWaalsContact O-N 3.14Å; E278-N280 PolarHBondContact O-ND2 3.29Å; E278-N280 VanDerWaalsContact O-ND2 3.08Å
279	R	93.5	Very high	97.2	Very high	163 Å²	163	31.8 Å²	31.8	62%	0.615	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.4	6.6	-175.4	-55.5	169.6	50.9	-177.8	-6.5	115.4	R96 R277 H281 D350	R96-R279 WeakPolarHBondContact CD-O 3.07Å; R96-R279 PolarHBondContact NH1-O 3.06Å; R277-R279 PolarHBondContact O-N 2.74Å; R279-H281 PolarHBondContact N-NE2 2.95Å; R279-D350 IonicContact NE-OD2 3.16Å
280	N	95.8	Very high	97.2	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.186	C	C	.	.	S	Bend	trans	-132.7	42.2	179.9	-65.9	-78.8	0	0	0	110.6	R96 R277 E278 M302 D348 F349 D350	R96-N280 PolarHBondContact NH1-OD1 2.75Å; R277-N280 HydrophobicContact CB-CB 4.47Å; R277-N280 CarbonylContact O-C 3.53Å; R277-N280 WeakPolarHBondContact O-CA 2.98Å; R277-N280 PolarHBondContact O-N 3.45Å; E278-N280 PolarHBondContact O-N 3.48Å; E278-N280 VanDerWaalsContact O-N 3.14Å; E278-N280 PolarHBondContact O-ND2 3.29Å; E278-N280 VanDerWaalsContact O-ND2 3.08Å; N280-M302 HydrophobicContact CB-CE 4.14Å; N280-M302 WeakPolarHBondContact O-CB 3.44Å; N280-D348 HydrophobicContact CB-CB 3.75Å; N280-F349 WeakPolarHBondContact OD1-CB 3.44Å; N280-F349 PolarHBondContact OD1-N 3.43Å; N280-F349 VanDerWaalsContact OD1-N 3.13Å; N280-D350 VanDerWaalsContact ND2-CG 3.27Å; N280-D350 PolarHBondContact ND2-OD2 3.03Å; N280-D350 PolarHBondContact OD1-N 3.05Å
281	H	96.9	Very high	97.3	Very high	37 Å²	37	32.9 Å²	32.9	17%	0.171	17%	0.17	C	C	.	.			trans	-73.6	150.8	-168.5	-65.5	-63.8	0	0	0	114.3	S93 R98 A273 F275 R279	S93-H281 WeakPolarHBondContact O-CB 3.43Å; R98-H281 PolarHBondContact NH2-O 2.9Å; A273-H281 PolarHBondContact O-CE1 3.03Å; A273-H281 PolarHBondContact O-ND1 3.18Å; F275-H281 VanDerWaalsContact O-CA 3.25Å; F275-H281 WeakPolarHBondContact O-CA 3.35Å; R279-H281 PolarHBondContact N-NE2 2.95Å
282	G	97.4	Very high	97.3	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.164	C	C	.	.	S	Bend	trans	100	-166.4	167.2	0	0	0	0	0	115.7	F272 F275 M302	F272-G282 VanDerWaalsContact CE1-CA 3.43Å; F272-G282 VanDerWaalsContact CZ-CA 3.43Å; F272-G282 VanDerWaalsContact O-CA 3.31Å; F272-G282 WeakPolarHBondContact O-CA 3.41Å; F272-G282 PolarHBondContact O-N 3.3Å; F275-G282 PolarHBondContact O-N 2.79Å; G282-M302 WeakPolarHBondContact O-CB 3.18Å; G282-M302 WeakPolarHBondContact O-CG 3.45Å; G282-M302 PolarHBondContact O-N 2.92Å
283	T	98.3	Very high	97.3	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	162.8	171.5	65.1	0	0	0	0	110.4	L45 R98 F275 E299 E300	L45-T283 HydrophobicContact CD1-CG2 3.96Å; L45-T283 HydrophobicContact CD2-CG2 3.55Å; L45-T283 HydrophobicContact CG-CG2 4.44Å; R98-T283 PolarHBondContact NE-O 2.62Å; R98-T283 PolarHBondContact NH2-O 3.09Å; F275-T283 HydrophobicContact CD2-CG2 4.44Å; T283-E299 VanDerWaalsContact CB-OE1 3.31Å; T283-E299 WeakPolarHBondContact CB-OE1 3.35Å; T283-E299 PolarHBondContact OG1-OE1 2.77Å; T283-E300 WeakPolarHBondContact CA-O 2.99Å
284	K	98.4	Very high	97.4	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	138.8	177.1	-176.1	71.2	-169.5	69.6	0	110.2	E256 F286 E299 E300 M302 T361 A362	E256-K284 WeakPolarHBondContact OE1-CD 3.34Å; E256-K284 IonicContact OE1-NZ 2.75Å; E256-K284 PolarHBondContact OE1-NZ 3.29Å; E256-K284 IonicContact OE2-NZ 3.39Å; E256-K284 PolarHBondContact OE2-NZ 3.47Å; K284-F286 HydrophobicContact CB-CD2 4.38Å; K284-F286 HydrophobicContact CB-CE2 3.76Å; K284-F286 HydrophobicContact CB-CZ 3.89Å; K284-F286 HydrophobicContact CG-CE1 4.26Å; K284-F286 HydrophobicContact CG-CE2 4.2Å; K284-F286 HydrophobicContact CG-CZ 4.03Å; K284-F286 VanDerWaalsContact O-CD2 3.29Å; K284-F286 WeakPolarHBondContact O-CD2 3.44Å; K284-F286 PolarHBondContact O-N 3.08Å; K284-E299 CarbonylContact O-C 3.58Å; K284-E299 WeakPolarHBondContact O-CA 3.41Å; K284-E300 PolarHBondContact N-O 3.17Å; K284-E300 PolarHBondContact O-N 2.79Å; K284-M302 HydrophobicContact CB-CG 4.11Å; K284-M302 HydrophobicContact CB-SD 3.54Å; K284-M302 VanDerWaalsContact CB-SD 3.54Å; K284-M302 HydrophobicContact CD-SD 4.32Å; K284-M302 HydrophobicContact CG-SD 4.02Å; K284-T361 WeakPolarHBondContact CE-O 3.11Å; K284-T361 PolarHBondContact NZ-O 2.85Å; K284-A362 HydrophobicContact CD-CB 4.22Å; K284-A362 HydrophobicContact CG-CB 3.7Å
285	L	98.6	Very high	97.5	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	118.5	164.9	-69.5	171.2	0	0	0	109.8	F52 L55 K136 I140 E256 E299	F52-L285 HydrophobicContact CB-CD2 4.47Å; F52-L285 HydrophobicContact CD2-CD1 3.74Å; F52-L285 HydrophobicContact CD2-CD2 3.87Å; F52-L285 HydrophobicContact CD2-CG 3.78Å; F52-L285 HydrophobicContact CE2-CD1 3.73Å; F52-L285 HydrophobicContact CE2-CG 3.93Å; F52-L285 HydrophobicContact CG-CD1 4.2Å; F52-L285 HydrophobicContact CG-CD2 4.39Å; F52-L285 HydrophobicContact CZ-CD1 4.19Å; L55-L285 HydrophobicContact CD1-CD1 4.29Å; L55-L285 HydrophobicContact CD1-CD2 3.67Å; L55-L285 HydrophobicContact CD2-CD2 3.64Å; L55-L285 HydrophobicContact CG-CD2 4.32Å; K136-L285 HydrophobicContact CB-CB 3.67Å; K136-L285 HydrophobicContact CB-CD1 3.95Å; K136-L285 HydrophobicContact CB-CG 4.45Å; K136-L285 HydrophobicContact CD-CB 4.31Å; I140-L285 HydrophobicContact CD1-CD1 3.68Å; I140-L285 HydrophobicContact CG1-CD1 3.93Å; E256-L285 HydrophobicContact CG-CD1 4.22Å; E256-L285 PolarHBondContact OE1-N 2.84Å; L285-E299 HydrophobicContact CD2-CB 3.74Å; L285-E299 HydrophobicContact CD2-CG 4.3Å
286	F	98.7	Very high	97.6	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	133.4	174.6	-66.7	-82.5	0	0	0	110.1	K284 T297 V298 E300 I304 L309 M347 L359 A362 V364	K284-F286 HydrophobicContact CB-CD2 4.38Å; K284-F286 HydrophobicContact CB-CE2 3.76Å; K284-F286 HydrophobicContact CB-CZ 3.89Å; K284-F286 HydrophobicContact CG-CE1 4.26Å; K284-F286 HydrophobicContact CG-CE2 4.2Å; K284-F286 HydrophobicContact CG-CZ 4.03Å; K284-F286 VanDerWaalsContact O-CD2 3.29Å; K284-F286 WeakPolarHBondContact O-CD2 3.44Å; K284-F286 PolarHBondContact O-N 3.08Å; F286-T297 CarbonylContact O-C 3.42Å; F286-T297 VanDerWaalsContact O-CA 3.25Å; F286-T297 WeakPolarHBondContact O-CA 3.18Å; F286-V298 HydrophobicContact CB-CG1 4.34Å; F286-V298 PolarHBondContact N-O 2.92Å; F286-V298 PolarHBondContact O-N 2.92Å; F286-E300 HydrophobicContact CD2-CB 3.8Å; F286-E300 HydrophobicContact CE2-CB 3.89Å; F286-I304 HydrophobicContact CE2-CG2 4.22Å; F286-I304 HydrophobicContact CZ-CG2 4.18Å; F286-L309 HydrophobicContact CB-CD1 4.37Å; F286-L309 HydrophobicContact CB-CD2 4.06Å; F286-L309 HydrophobicContact CD1-CD2 3.59Å; F286-L309 HydrophobicContact CD2-CD1 4.17Å; F286-L309 HydrophobicContact CD2-CD2 4.24Å; F286-L309 HydrophobicContact CE1-CD2 4.09Å; F286-L309 HydrophobicContact CG-CD1 4.23Å; F286-L309 HydrophobicContact CG-CD2 3.68Å; F286-M347 HydrophobicContact CD1-CE 4.21Å; F286-M347 HydrophobicContact CE1-CB 3.7Å; F286-M347 HydrophobicContact CE1-CE 3.93Å; F286-M347 HydrophobicContact CE1-CG 4.31Å; F286-M347 HydrophobicContact CZ-CB 3.94Å; F286-L359 HydrophobicContact CE1-CD1 4.39Å; F286-A362 WeakPolarHBondContact CA-O 3.27Å; F286-A362 HydrophobicContact CD1-CB 3.63Å; F286-A362 HydrophobicContact CE1-CB 3.76Å; F286-A362 HydrophobicContact CG-CB 4.48Å; F286-V364 HydrophobicContact CD1-CG2 4.36Å
287	C	98.6	Very high	97.7	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.014	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	97.8	174.4	-52.4	0	0	0	0	108.5	G133 C135 K136 A362 A363 V364	G133-C287 VanDerWaalsContact O-CB 3.26Å; G133-C287 WeakPolarHBondContact O-CB 3.37Å; C135-C287 PolarHBondContact N-SG 3.14Å; C135-C287 VanDerWaalsContact N-SG 3.4Å; K136-C287 PolarHBondContact N-SG 2.88Å; C287-A362 PolarHBondContact N-O 2.99Å; C287-A362 VanDerWaalsContact N-O 3.08Å; C287-A363 HydrophobicContact CB-CB 4.24Å; C287-A363 CarbonylContact O-C 3.45Å; C287-A363 WeakPolarHBondContact O-CA 3.3Å; C287-V364 PolarHBondContact O-N 2.87Å
288	I	98.8	Very high	97.8	Very high	3 Å²	3	37 Å²	37	2%	0.015	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	117.3	-178.9	-53.1	146	0	0	0	108.3	V292 P295 C296 V298 L309 I310 H313 A314 V364 V366	I288-V292 HydrophobicContact CG2-CG1 3.92Å; I288-V292 HydrophobicContact CG2-CG2 4.15Å; I288-P295 CarbonylContact O-C 3.44Å; I288-P295 WeakPolarHBondContact O-CA 3.29Å; I288-C296 PolarHBondContact N-O 3.4Å; I288-C296 PolarHBondContact O-N 3.19Å; I288-V298 HydrophobicContact CD1-CG1 4.07Å; I288-L309 HydrophobicContact CD1-CD1 4.09Å; I288-L309 HydrophobicContact CD1-CD2 4.48Å; I288-L309 HydrophobicContact CD1-CG 3.93Å; I288-L309 HydrophobicContact CG1-CG 4.44Å; I288-I310 HydrophobicContact CG2-CG1 4.41Å; I288-H313 HydrophobicContact CD1-CB 4.26Å; I288-A314 HydrophobicContact CB-CB 4.05Å; I288-A314 HydrophobicContact CD1-CB 4.05Å; I288-A314 HydrophobicContact CG2-CB 3.53Å; I288-V364 WeakPolarHBondContact CA-O 3.43Å; I288-V364 HydrophobicContact CG1-CB 4.33Å; I288-V366 HydrophobicContact CG2-CG2 4.28Å
289	S	98.4	Very high	98	Very high	30 Å²	30	30.8 Å²	30.8	21%	0.21	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	175.1	-173.3	69.2	0	0	0	0	111.8	V364 V366	S289-V364 PolarHBondContact N-O 3.36Å; S289-V366 PolarHBondContact O-N 3.3Å
290	G	97.9	Very high	98.3	Very high	37 Å²	37	23 Å²	23	38%	0.381	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	83.4	-138.3	-179.2	0	0	0	0	0	112.5	V292 V366	G290-V292 VanDerWaalsContact C-N 3.28Å; G290-V292 PolarHBondContact O-N 3.05Å; G290-V366 WeakPolarHBondContact CA-O 3.4Å
291	H	98.5	Very high	98.4	Very high	66 Å²	66	23.2 Å²	23.2	31%	0.306	14%	0.142	S	C	.	.	S	Bend	trans	-87	58.7	-168.1	-61.2	173.3	0	0	0	113.1	I318 V366 N368 T371	H291-I318 HydrophobicContact CB-CD1 4.17Å; H291-I318 PolarHBondContact O-N 2.92Å; H291-V366 PolarHBondContact N-O 2.89Å; H291-N368 HydrophobicContact CB-CB 3.96Å; H291-N368 VanDerWaalsContact ND1-CG 3.27Å; H291-N368 PolarHBondContact ND1-N 3.1Å; H291-N368 PolarHBondContact ND1-OD1 3.43Å; H291-T371 PolarHBondContact CE1-OG1 2.83Å; H291-T371 PolarHBondContact ND1-OG1 3.47Å
292	V	98.7	Very high	98.4	Very high	4 Å²	4	21.4 Å²	21.4	2%	0.024	13%	0.134	C	C	.	.	B	Isolated β-bridge	trans	-113.8	157.7	170.2	-66.2	0	0	0	0	110.6	I288 G290 T294 P295 I310 A314 G316 V366	I288-V292 HydrophobicContact CG2-CG1 3.92Å; I288-V292 HydrophobicContact CG2-CG2 4.15Å; G290-V292 VanDerWaalsContact C-N 3.28Å; G290-V292 PolarHBondContact O-N 3.05Å; V292-T294 VanDerWaalsContact C-N 3.35Å; V292-P295 HydrophobicContact CG2-CB 4.06Å; V292-P295 HydrophobicContact CG2-CG 3.74Å; V292-I310 HydrophobicContact CG1-CG2 3.96Å; V292-A314 HydrophobicContact CB-CB 3.93Å; V292-A314 HydrophobicContact CG1-CB 4.12Å; V292-A314 HydrophobicContact CG2-CB 4Å; V292-G316 WeakPolarHBondContact CA-O 3.38Å; V292-V366 HydrophobicContact CG1-CB 3.76Å; V292-V366 HydrophobicContact CG1-CG1 3.92Å; V292-V366 HydrophobicContact CG1-CG2 3.59Å
293	N	98.6	Very high	98.4	Very high	92 Å²	92	21.4 Å²	21.4	49%	0.492	13%	0.134	S	C	.	.	S	Bend	trans	-68.2	-35.1	-177.5	-67.3	-44.9	0	0	0	112.5	A314 G315 G316	N293-A314 PolarHBondContact N-O 3.4Å; N293-G315 PolarHBondContact ND2-O 3.13Å; N293-G316 PolarHBondContact N-O 3.11Å; N293-G316 PolarHBondContact ND2-O 2.75Å
294	T	98.4	Very high	98.4	Very high	83 Å²	83	21.4 Å²	21.4	51%	0.509	13%	0.134	S	C	.	.	S	Bend	trans	-135.3	81.1	-178.5	-47.6	0	0	0	0	110.3	V292 C296 A314	V292-T294 VanDerWaalsContact C-N 3.35Å; T294-C296 PolarHBondContact O-N 3.35Å; T294-A314 PolarHBondContact N-O 2.72Å; T294-A314 VanDerWaalsContact O-CA 3.27Å; T294-A314 WeakPolarHBondContact O-CA 3.43Å
295	P	98.5	Very high	98.4	Very high	79 Å²	79	23.1 Å²	23.1	51%	0.513	15%	0.145	S	C	.	.			trans	-56	131.7	175.6	-22.8	32.1	0	0	0	111.4	I288 V292	I288-P295 CarbonylContact O-C 3.44Å; I288-P295 WeakPolarHBondContact O-CA 3.29Å; V292-P295 HydrophobicContact CG2-CB 4.06Å; V292-P295 HydrophobicContact CG2-CG 3.74Å
296	C	98.6	Very high	98.4	Very high	30 Å²	30	23.1 Å²	23.1	20%	0.203	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	154.7	-173.6	67.5	0	0	0	0	113.3	I288 T294 H313	I288-C296 PolarHBondContact N-O 3.4Å; I288-C296 PolarHBondContact O-N 3.19Å; T294-C296 PolarHBondContact O-N 3.35Å; C296-H313 PolarHBondContact SG-O 3.37Å; C296-H313 VanDerWaalsContact SG-O 3.41Å
297	T	98.7	Very high	98.3	Very high	12 Å²	12	26.4 Å²	26.4	7%	0.074	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	130.7	161.5	-55.3	0	0	0	0	109	L55 Y56 C135 K136 E139 F286	L55-T297 HydrophobicContact CD2-CG2 4.36Å; Y56-T297 WeakPolarHBondContact CE1-O 3.48Å; Y56-T297 PolarHBondContact OH-O 2.91Å; C135-T297 PolarHBondContact SG-OG1 3.05Å; K136-T297 HydrophobicContact CB-CG2 4.4Å; E139-T297 HydrophobicContact CG-CG2 4.14Å; F286-T297 CarbonylContact O-C 3.42Å; F286-T297 VanDerWaalsContact O-CA 3.25Å; F286-T297 WeakPolarHBondContact O-CA 3.18Å
298	V	98.6	Very high	98.3	Very high	6 Å²	6	28.5 Å²	28.5	4%	0.036	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	136.5	-178.8	67.5	0	0	0	0	110.2	F286 I288 L309 H313	F286-V298 HydrophobicContact CB-CG1 4.34Å; F286-V298 PolarHBondContact N-O 2.92Å; F286-V298 PolarHBondContact O-N 2.92Å; I288-V298 HydrophobicContact CD1-CG1 4.07Å; V298-L309 HydrophobicContact CG1-CD1 4.13Å; V298-H313 HydrophobicContact CG1-CB 3.96Å; V298-H313 HydrophobicContact CG2-CB 4.5Å
299	E	98.7	Very high	98.3	Very high	3 Å²	3	28.4 Å²	28.4	1%	0.014	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	138.8	166.6	-170	175.1	-179.8	0	0	108.3	L45 R50 I51 F52 T283 K284 L285	L45-E299 HydrophobicContact CD2-CG 4.3Å; R50-E299 WeakPolarHBondContact CA-OE2 3.4Å; R50-E299 WeakPolarHBondContact CB-OE2 3.28Å; R50-E299 PolarHBondContact NH1-O 2.87Å; I51-E299 WeakPolarHBondContact CB-OE1 3.04Å; I51-E299 VanDerWaalsContact N-CD 3.3Å; I51-E299 PolarHBondContact N-OE1 3.04Å; I51-E299 PolarHBondContact N-OE2 3.47Å; F52-E299 HydrophobicContact CD2-CG 4.47Å; F52-E299 PolarHBondContact N-OE2 3.03Å; T283-E299 VanDerWaalsContact CB-OE1 3.31Å; T283-E299 WeakPolarHBondContact CB-OE1 3.35Å; T283-E299 PolarHBondContact OG1-OE1 2.77Å; K284-E299 CarbonylContact O-C 3.58Å; K284-E299 WeakPolarHBondContact O-CA 3.41Å; L285-E299 HydrophobicContact CD2-CB 3.74Å; L285-E299 HydrophobicContact CD2-CG 4.3Å
300	E	98.4	Very high	98.3	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	166.3	175	-160.7	39	-103	0	0	110.2	L45 R50 T283 K284 F286 M302 I304 L309 H313	L45-E300 WeakPolarHBondContact CA-OE1 3.47Å; L45-E300 WeakPolarHBondContact CB-OE1 3.43Å; L45-E300 PolarHBondContact N-OE1 2.88Å; R50-E300 IonicContact NH1-OE2 2.82Å; R50-E300 IonicContact NH2-OE2 3.71Å; R50-E300 PolarHBondContact NH2-OE2 3.3Å; T283-E300 WeakPolarHBondContact CA-O 2.99Å; K284-E300 PolarHBondContact N-O 3.17Å; K284-E300 PolarHBondContact O-N 2.79Å; F286-E300 HydrophobicContact CD2-CB 3.8Å; F286-E300 HydrophobicContact CE2-CB 3.89Å; E300-M302 PolarHBondContact O-N 3.43Å; E300-I304 HydrophobicContact CG-CB 4.49Å; E300-I304 HydrophobicContact CG-CD1 3.45Å; E300-I304 VanDerWaalsContact CG-CD1 3.45Å; E300-I304 HydrophobicContact CG-CG2 4.3Å; E300-L309 HydrophobicContact CB-CD1 4.24Å; E300-L309 HydrophobicContact CG-CD1 4.23Å; E300-H313 IonicContact OE2-CE1 2.62Å; E300-H313 PolarHBondContact OE2-CE1 3.41Å; E300-H313 VanDerWaalsContact OE2-CE1 3.29Å; E300-H313 IonicContact OE2-NE2 2.63Å; E300-H313 PolarHBondContact OE2-NE2 3.01Å
301	E	98.2	Very high	98.3	Very high	3 Å²	3	29.3 Å²	29.3	1%	0.014	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	136	176.7	-156.3	-175	167.3	0	0	110.8	K39 G43 F275 G276 I304	K39-E301 IonicContact NZ-OE1 3.1Å; K39-E301 PolarHBondContact NZ-OE1 3.49Å; K39-E301 IonicContact NZ-OE2 3.44Å; K39-E301 PolarHBondContact NZ-OE2 3.08Å; G43-E301 PolarHBondContact N-OE2 2.77Å; F275-E301 VanDerWaalsContact CA-OE1 3.28Å; F275-E301 WeakPolarHBondContact CA-OE1 3.3Å; F275-E301 HydrophobicContact CB-CG 3.76Å; F275-E301 HydrophobicContact CD1-CG 3.9Å; F275-E301 HydrophobicContact CG-CG 4.23Å; G276-E301 PolarHBondContact N-OE1 2.99Å; E301-I304 WeakPolarHBondContact O-CG2 3.34Å; E301-I304 PolarHBondContact O-N 3.43Å
302	M	97.3	Very high	98.3	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	153.2	166.2	-75.1	-76.1	-66.8	0	0	110.3	G276 N280 G282 K284 E300 I304 D348 F349 L359	G276-M302 WeakPolarHBondContact CA-O 3.48Å; N280-M302 HydrophobicContact CB-CE 4.14Å; N280-M302 WeakPolarHBondContact O-CB 3.44Å; G282-M302 WeakPolarHBondContact O-CB 3.18Å; G282-M302 WeakPolarHBondContact O-CG 3.45Å; G282-M302 PolarHBondContact O-N 2.92Å; K284-M302 HydrophobicContact CB-CG 4.11Å; K284-M302 HydrophobicContact CB-SD 3.54Å; K284-M302 VanDerWaalsContact CB-SD 3.54Å; K284-M302 HydrophobicContact CD-SD 4.32Å; K284-M302 HydrophobicContact CG-SD 4.02Å; E300-M302 PolarHBondContact O-N 3.43Å; M302-I304 PolarHBondContact O-N 2.82Å; M302-D348 HydrophobicContact CE-CB 3.83Å; M302-F349 HydrophobicContact CE-CD2 3.72Å; M302-F349 HydrophobicContact CE-CE2 3.79Å; M302-L359 HydrophobicContact CE-CD2 3.69Å; M302-L359 HydrophobicContact SD-CD2 4.01Å
303	S	97.8	Very high	98.2	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.4	8.4	-179.3	-52.5	0	0	0	0	115.5	R277 M347 D348	R277-S303 WeakPolarHBondContact CB-OG 3.46Å; R277-S303 WeakPolarHBondContact CG-OG 3.38Å; R277-S303 PolarHBondContact N-OG 2.72Å; S303-M347 PolarHBondContact N-O 2.81Å; S303-M347 VanDerWaalsContact N-O 3.13Å; S303-D348 VanDerWaalsContact CB-OD2 3.3Å; S303-D348 WeakPolarHBondContact CB-OD2 3.47Å; S303-D348 WeakPolarHBondContact OG-CB 3.42Å; S303-D348 PolarHBondContact OG-OD2 3.11Å
304	I	97.9	Very high	98.2	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.149	C	C	.	.			trans	-55.8	137.3	167	-173.1	170.8	0	0	0	110.4	F286 E300 E301 M302 M306 E308 L309 M347	F286-I304 HydrophobicContact CE2-CG2 4.22Å; F286-I304 HydrophobicContact CZ-CG2 4.18Å; E300-I304 HydrophobicContact CG-CB 4.49Å; E300-I304 HydrophobicContact CG-CD1 3.45Å; E300-I304 VanDerWaalsContact CG-CD1 3.45Å; E300-I304 HydrophobicContact CG-CG2 4.3Å; E301-I304 WeakPolarHBondContact O-CG2 3.34Å; E301-I304 PolarHBondContact O-N 3.43Å; M302-I304 PolarHBondContact O-N 2.82Å; I304-M306 PolarHBondContact O-N 2.9Å; I304-E308 HydrophobicContact CD1-CG 4.37Å; I304-E308 HydrophobicContact CG1-CB 4.4Å; I304-E308 HydrophobicContact CG1-CG 4.45Å; I304-L309 HydrophobicContact CD1-CB 4.11Å; I304-L309 HydrophobicContact CD1-CD1 4.35Å; I304-L309 HydrophobicContact CG1-CB 4.4Å; I304-L309 HydrophobicContact CG2-CB 4.21Å; I304-L309 HydrophobicContact CG2-CD1 4.41Å; I304-L309 HydrophobicContact CG2-CD2 4.46Å; I304-M347 HydrophobicContact CG2-CB 4.11Å; I304-M347 WeakPolarHBondContact O-CB 3.35Å; I304-M347 PolarHBondContact O-N 3.42Å
305	P	97.9	Very high	98.2	Very high	36 Å²	36	26.9 Å²	26.9	23%	0.234	14%	0.144	C	C	.	.	B	Isolated β-bridge	trans	-58	135.9	172.7	-24.5	34.8	0	0	0	111.8	K307 E308 L309	P305-K307 VanDerWaalsContact C-N 3.29Å; P305-K307 PolarHBondContact O-N 2.82Å; P305-E308 HydrophobicContact CB-CB 4.01Å; P305-E308 HydrophobicContact CG-CB 4.38Å; P305-E308 PolarHBondContact O-N 2.82Å; P305-E308 VanDerWaalsContact O-N 3.15Å; P305-L309 PolarHBondContact O-N 3.37Å
306	M	98.3	Very high	98.2	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-57.2	-43.4	-178.4	-179.9	-175	-72.8	0	0	112	I304 L309 I310 V327 P329 L337 C342 V345 M347 L352	I304-M306 PolarHBondContact O-N 2.9Å; M306-L309 PolarHBondContact O-N 2.77Å; M306-I310 HydrophobicContact CG-CD1 3.87Å; M306-I310 WeakPolarHBondContact O-CG1 3.45Å; M306-I310 PolarHBondContact O-N 2.97Å; M306-I310 VanDerWaalsContact O-N 3.08Å; M306-V327 HydrophobicContact CE-CG1 4.11Å; M306-V327 HydrophobicContact SD-CB 3.93Å; M306-V327 HydrophobicContact SD-CG1 3.82Å; M306-V327 HydrophobicContact SD-CG2 4.02Å; M306-P329 HydrophobicContact CE-CB 3.74Å; M306-L337 HydrophobicContact CE-CD1 4.23Å; M306-C342 HydrophobicContact SD-CB 3.68Å; M306-C342 VanDerWaalsContact SD-SG 3.69Å; M306-V345 HydrophobicContact CB-CG1 3.8Å; M306-V345 HydrophobicContact CE-CG1 3.69Å; M306-V345 PolarHBondContact N-O 2.95Å; M306-V345 HydrophobicContact SD-CG1 4.05Å; M306-M347 HydrophobicContact CB-CG 3.95Å; M306-M347 HydrophobicContact CB-SD 3.8Å; M306-M347 HydrophobicContact CE-CE 4.48Å; M306-M347 HydrophobicContact CE-SD 3.38Å; M306-M347 WeakPolarHBondContact CE-SD 3.3Å; M306-M347 HydrophobicContact CG-CG 4.48Å; M306-M347 HydrophobicContact CG-SD 3.91Å; M306-L352 HydrophobicContact CE-CD2 4.39Å
307	K	98.1	Very high	98.2	Very high	69 Å²	69	22.2 Å²	22.2	30%	0.3	12%	0.116	S	C	.	.	H	α-helix	trans	-58.3	-48.9	176.7	-179.1	175	-179.5	-178	0	112	P305 L309 I310 E311 W321	P305-K307 VanDerWaalsContact C-N 3.29Å; P305-K307 PolarHBondContact O-N 2.82Å; K307-L309 PolarHBondContact O-N 3.42Å; K307-I310 PolarHBondContact O-N 3.05Å; K307-E311 VanDerWaalsContact CE-CD 3.4Å; K307-E311 WeakPolarHBondContact CE-OE1 3.17Å; K307-E311 VanDerWaalsContact CE-OE2 3.31Å; K307-E311 WeakPolarHBondContact CE-OE2 3.5Å; K307-E311 HydrophobicContact CG-CG 4.21Å; K307-E311 IonicContact NZ-OE1 2.8Å; K307-E311 WeakPolarHBondContact O-CB 3Å; K307-E311 WeakPolarHBondContact O-CG 3.32Å; K307-E311 PolarHBondContact O-N 2.83Å; K307-W321 VanDerWaalsContact CA-CH2 3.46Å; K307-W321 HydrophobicContact CB-CH2 3.69Å; K307-W321 HydrophobicContact CB-CZ2 3.59Å; K307-W321 HydrophobicContact CB-CZ3 4.27Å; K307-W321 HydrophobicContact CD-CD2 4.14Å; K307-W321 HydrophobicContact CD-CG 4.44Å; K307-W321 HydrophobicContact CD-CZ2 4.04Å; K307-W321 HydrophobicContact CG-CD2 3.9Å; K307-W321 HydrophobicContact CG-CE3 4.08Å; K307-W321 HydrophobicContact CG-CH2 3.89Å; K307-W321 HydrophobicContact CG-CZ2 3.67Å; K307-W321 HydrophobicContact CG-CZ3 4.09Å
308	E	97.7	Very high	98.2	Very high	46 Å²	46	25 Å²	25	22%	0.215	13%	0.129	C	C	.	.	H	α-helix	trans	-62.1	-42.6	179.7	-175.2	174.6	170.2	0	0	111.7	I304 P305 I310 R312	I304-E308 HydrophobicContact CD1-CG 4.37Å; I304-E308 HydrophobicContact CG1-CB 4.4Å; I304-E308 HydrophobicContact CG1-CG 4.45Å; P305-E308 HydrophobicContact CB-CB 4.01Å; P305-E308 HydrophobicContact CG-CB 4.38Å; P305-E308 PolarHBondContact O-N 2.82Å; P305-E308 VanDerWaalsContact O-N 3.15Å; E308-I310 PolarHBondContact O-N 3.48Å; E308-R312 WeakPolarHBondContact O-CB 3.38Å; E308-R312 PolarHBondContact O-N 3.28Å; E308-R312 IonicContact OE1-CZ 3.07Å; E308-R312 IonicContact OE1-NH1 3.21Å; E308-R312 PolarHBondContact OE1-NH1 3.23Å; E308-R312 IonicContact OE1-NH2 3.91Å; E308-R312 PolarHBondContact OE1-NH2 2.91Å
309	L	98.4	Very high	98.2	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-57.4	-49.3	175.5	177.9	66.6	0	0	0	111.7	F286 I288 V298 E300 I304 P305 M306 K307 H313 M347 V364	F286-L309 HydrophobicContact CB-CD1 4.37Å; F286-L309 HydrophobicContact CB-CD2 4.06Å; F286-L309 HydrophobicContact CD1-CD2 3.59Å; F286-L309 HydrophobicContact CD2-CD1 4.17Å; F286-L309 HydrophobicContact CD2-CD2 4.24Å; F286-L309 HydrophobicContact CE1-CD2 4.09Å; F286-L309 HydrophobicContact CG-CD1 4.23Å; F286-L309 HydrophobicContact CG-CD2 3.68Å; I288-L309 HydrophobicContact CD1-CD1 4.09Å; I288-L309 HydrophobicContact CD1-CD2 4.48Å; I288-L309 HydrophobicContact CD1-CG 3.93Å; I288-L309 HydrophobicContact CG1-CG 4.44Å; V298-L309 HydrophobicContact CG1-CD1 4.13Å; E300-L309 HydrophobicContact CB-CD1 4.24Å; E300-L309 HydrophobicContact CG-CD1 4.23Å; I304-L309 HydrophobicContact CD1-CB 4.11Å; I304-L309 HydrophobicContact CD1-CD1 4.35Å; I304-L309 HydrophobicContact CG1-CB 4.4Å; I304-L309 HydrophobicContact CG2-CB 4.21Å; I304-L309 HydrophobicContact CG2-CD1 4.41Å; I304-L309 HydrophobicContact CG2-CD2 4.46Å; P305-L309 PolarHBondContact O-N 3.37Å; M306-L309 PolarHBondContact O-N 2.77Å; K307-L309 PolarHBondContact O-N 3.42Å; L309-H313 WeakPolarHBondContact O-CB 3.4Å; L309-H313 PolarHBondContact O-N 2.93Å; L309-H313 VanDerWaalsContact O-N 3.07Å; L309-M347 HydrophobicContact CD2-CG 4.11Å; L309-V364 HydrophobicContact CD2-CG2 4.34Å
310	I	98.6	Very high	98.2	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-69.6	-47.4	-177.9	-67.5	167.7	0	0	0	111.3	I288 V292 M306 K307 E308 A314 G315 G316 V317 W321 V327 V364 V366	I288-I310 HydrophobicContact CG2-CG1 4.41Å; V292-I310 HydrophobicContact CG1-CG2 3.96Å; M306-I310 HydrophobicContact CG-CD1 3.87Å; M306-I310 WeakPolarHBondContact O-CG1 3.45Å; M306-I310 PolarHBondContact O-N 2.97Å; M306-I310 VanDerWaalsContact O-N 3.08Å; K307-I310 PolarHBondContact O-N 3.05Å; E308-I310 PolarHBondContact O-N 3.48Å; I310-A314 CarbonylContact O-C 3.55Å; I310-A314 WeakPolarHBondContact O-CA 3.48Å; I310-A314 WeakPolarHBondContact O-CB 3.36Å; I310-A314 PolarHBondContact O-N 2.74Å; I310-A314 VanDerWaalsContact O-N 3.14Å; I310-G315 PolarHBondContact O-N 2.97Å; I310-G316 PolarHBondContact O-N 2.73Å; I310-V317 HydrophobicContact CG2-CG2 4.08Å; I310-W321 HydrophobicContact CB-CZ3 4.01Å; I310-W321 HydrophobicContact CD1-CH2 4.09Å; I310-W321 HydrophobicContact CD1-CZ3 3.91Å; I310-W321 HydrophobicContact CG2-CZ3 3.98Å; I310-V327 HydrophobicContact CD1-CG2 4.42Å; I310-V364 HydrophobicContact CD1-CG1 4.2Å; I310-V364 HydrophobicContact CG1-CG1 4.46Å; I310-V366 HydrophobicContact CD1-CG2 3.8Å; I310-V366 HydrophobicContact CG1-CG2 4.3Å
311	E	98.3	Very high	98.2	Very high	87 Å²	87	30.5 Å²	30.5	41%	0.407	18%	0.181	S	C	.	.	H	α-helix	trans	-65.6	-41.9	-178.1	-71.8	-177.1	155.8	0	0	111.7	K307 W321	K307-E311 VanDerWaalsContact CE-CD 3.4Å; K307-E311 WeakPolarHBondContact CE-OE1 3.17Å; K307-E311 VanDerWaalsContact CE-OE2 3.31Å; K307-E311 WeakPolarHBondContact CE-OE2 3.5Å; K307-E311 HydrophobicContact CG-CG 4.21Å; K307-E311 IonicContact NZ-OE1 2.8Å; K307-E311 WeakPolarHBondContact O-CB 3Å; K307-E311 WeakPolarHBondContact O-CG 3.32Å; K307-E311 PolarHBondContact O-N 2.83Å; E311-W321 HydrophobicContact CG-CE3 4.19Å
312	R	97.9	Very high	98.2	Very high	110 Å²	110	36 Å²	36	42%	0.415	21%	0.211	S	C	.	.	H	α-helix	trans	-75.9	-51	-177.6	-177.7	178.4	-71.4	142.1	3.6	113	E308	E308-R312 WeakPolarHBondContact O-CB 3.38Å; E308-R312 PolarHBondContact O-N 3.28Å; E308-R312 IonicContact OE1-CZ 3.07Å; E308-R312 IonicContact OE1-NH1 3.21Å; E308-R312 PolarHBondContact OE1-NH1 3.23Å; E308-R312 IonicContact OE1-NH2 3.91Å; E308-R312 PolarHBondContact OE1-NH2 2.91Å
313	H	98.3	Very high	98.2	Very high	44 Å²	44	37.3 Å²	37.3	20%	0.204	22%	0.218	C	C	.	.	H	α-helix	trans	-97	-31.7	-167.4	-62.3	-82.6	0	0	0	113.3	I288 C296 V298 E300 L309	I288-H313 HydrophobicContact CD1-CB 4.26Å; C296-H313 PolarHBondContact SG-O 3.37Å; C296-H313 VanDerWaalsContact SG-O 3.41Å; V298-H313 HydrophobicContact CG1-CB 3.96Å; V298-H313 HydrophobicContact CG2-CB 4.5Å; E300-H313 IonicContact OE2-CE1 2.62Å; E300-H313 PolarHBondContact OE2-CE1 3.41Å; E300-H313 VanDerWaalsContact OE2-CE1 3.29Å; E300-H313 IonicContact OE2-NE2 2.63Å; E300-H313 PolarHBondContact OE2-NE2 3.01Å; L309-H313 WeakPolarHBondContact O-CB 3.4Å; L309-H313 PolarHBondContact O-N 2.93Å; L309-H313 VanDerWaalsContact O-N 3.07Å
314	A	98.4	Very high	98.3	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	22%	0.218	C	C	.	.	S	Bend	trans	-100.3	9.4	-179	0	0	0	0	0	114	I288 V292 N293 T294 I310 G316	I288-A314 HydrophobicContact CB-CB 4.05Å; I288-A314 HydrophobicContact CD1-CB 4.05Å; I288-A314 HydrophobicContact CG2-CB 3.53Å; V292-A314 HydrophobicContact CB-CB 3.93Å; V292-A314 HydrophobicContact CG1-CB 4.12Å; V292-A314 HydrophobicContact CG2-CB 4Å; N293-A314 PolarHBondContact N-O 3.4Å; T294-A314 PolarHBondContact N-O 2.72Å; T294-A314 VanDerWaalsContact O-CA 3.27Å; T294-A314 WeakPolarHBondContact O-CA 3.43Å; I310-A314 CarbonylContact O-C 3.55Å; I310-A314 WeakPolarHBondContact O-CA 3.48Å; I310-A314 WeakPolarHBondContact O-CB 3.36Å; I310-A314 PolarHBondContact O-N 2.74Å; I310-A314 VanDerWaalsContact O-N 3.14Å; A314-G316 PolarHBondContact O-N 2.68Å
315	G	98	Very high	98.3	Very high	39 Å²	39	38.9 Å²	38.9	40%	0.402	23%	0.226	S	C	.	.			trans	68.4	16.6	-179.7	0	0	0	0	0	114.2	N293 I310	N293-G315 PolarHBondContact ND2-O 3.13Å; I310-G315 PolarHBondContact O-N 2.97Å
316	G	98.5	Very high	98.3	Very high	11 Å²	11	37.1 Å²	37.1	11%	0.113	22%	0.215	C	C	.	.			trans	81.1	173.2	-177.2	0	0	0	0	0	114.7	V292 N293 I310 A314	V292-G316 WeakPolarHBondContact CA-O 3.38Å; N293-G316 PolarHBondContact N-O 3.11Å; N293-G316 PolarHBondContact ND2-O 2.75Å; I310-G316 PolarHBondContact O-N 2.73Å; A314-G316 PolarHBondContact O-N 2.68Å
317	V	98.7	Very high	98.4	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.006	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-71.6	142.6	177.4	-177.3	0	0	0	0	109.5	I310 G319 G320 W321 L324 V366 N368	I310-V317 HydrophobicContact CG2-CG2 4.08Å; V317-G319 PolarHBondContact O-N 2.89Å; V317-G319 VanDerWaalsContact O-N 3.15Å; V317-G320 PolarHBondContact O-N 3.09Å; V317-W321 HydrophobicContact CG2-CE3 3.75Å; V317-W321 HydrophobicContact CG2-CZ3 4Å; V317-L324 HydrophobicContact CG1-CB 4.44Å; V317-L324 HydrophobicContact CG1-CD1 4.41Å; V317-L324 HydrophobicContact CG2-CB 4.29Å; V317-L324 HydrophobicContact CG2-CD1 4.06Å; V317-V366 HydrophobicContact CG1-CG1 4.27Å; V317-V366 HydrophobicContact CG2-CG1 4.02Å; V317-N368 HydrophobicContact CG1-CB 4.03Å
318	I	98.6	Very high	98.4	Very high	70 Å²	70	34.1 Å²	34.1	36%	0.359	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	120.2	174.3	-63	172	0	0	0	108.6	H291 N323	H291-I318 HydrophobicContact CB-CD1 4.17Å; H291-I318 PolarHBondContact O-N 2.92Å; I318-N323 PolarHBondContact O-ND2 3.22Å
319	G	98.2	Very high	98.4	Very high	66 Å²	66	32 Å²	32	68%	0.68	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.8	9.3	-174.9	0	0	0	0	0	115.2	V317	V317-G319 PolarHBondContact O-N 2.89Å; V317-G319 VanDerWaalsContact O-N 3.15Å
320	G	98.4	Very high	98.2	Very high	36 Å²	36	32 Å²	32	37%	0.371	19%	0.192	S	C	.	.			trans	90	165	179.2	0	0	0	0	0	113.7	V317 D322 N323	V317-G320 PolarHBondContact O-N 3.09Å; G320-D322 PolarHBondContact O-N 3.06Å; G320-N323 WeakPolarHBondContact O-CA 3.24Å; G320-N323 VanDerWaalsContact O-CB 3.32Å; G320-N323 WeakPolarHBondContact O-CB 3.48Å; G320-N323 PolarHBondContact O-N 3.01Å
321	W	98.4	Very high	98.1	Very high	22 Å²	22	32 Å²	32	8%	0.083	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-59.6	-31.8	-176	-170.8	-104.3	0	0	0	113.3	K307 I310 E311 V317 N323 L324 K339 C342 D343	K307-W321 VanDerWaalsContact CA-CH2 3.46Å; K307-W321 HydrophobicContact CB-CH2 3.69Å; K307-W321 HydrophobicContact CB-CZ2 3.59Å; K307-W321 HydrophobicContact CB-CZ3 4.27Å; K307-W321 HydrophobicContact CD-CD2 4.14Å; K307-W321 HydrophobicContact CD-CG 4.44Å; K307-W321 HydrophobicContact CD-CZ2 4.04Å; K307-W321 HydrophobicContact CG-CD2 3.9Å; K307-W321 HydrophobicContact CG-CE3 4.08Å; K307-W321 HydrophobicContact CG-CH2 3.89Å; K307-W321 HydrophobicContact CG-CZ2 3.67Å; K307-W321 HydrophobicContact CG-CZ3 4.09Å; I310-W321 HydrophobicContact CB-CZ3 4.01Å; I310-W321 HydrophobicContact CD1-CH2 4.09Å; I310-W321 HydrophobicContact CD1-CZ3 3.91Å; I310-W321 HydrophobicContact CG2-CZ3 3.98Å; E311-W321 HydrophobicContact CG-CE3 4.19Å; V317-W321 HydrophobicContact CG2-CE3 3.75Å; V317-W321 HydrophobicContact CG2-CZ3 4Å; W321-N323 PolarHBondContact O-N 2.75Å; W321-L324 HydrophobicContact CD2-CD2 4.46Å; W321-L324 HydrophobicContact CE3-CD2 4.45Å; W321-L324 HydrophobicContact CH2-CD2 3.69Å; W321-L324 HydrophobicContact CZ2-CD2 3.71Å; W321-L324 HydrophobicContact CZ3-CD2 4.08Å; W321-L324 WeakPolarHBondContact O-CB 2.89Å; W321-L324 PolarHBondContact O-N 3.12Å; W321-K339 WeakPolarHBondContact O-CE 3.39Å; W321-C342 HydrophobicContact CH2-CB 4.49Å; W321-C342 HydrophobicContact CZ2-CB 4.24Å; W321-D343 PolarHBondContact NE1-OD1 3.47Å
322	D	98.1	Very high	98	Very high	120 Å²	120	27.9 Å²	27.9	64%	0.642	17%	0.173	S	C	*	.	G	3₁₀ helix	trans	-70	-15.1	175.9	-68.3	-33.1	0	0	0	113.7	G320 L324 K369	G320-D322 PolarHBondContact O-N 3.06Å; D322-L324 VanDerWaalsContact C-N 3.29Å; D322-K369 WeakPolarHBondContact O-CE 3.41Å; D322-K369 PolarHBondContact O-NZ 2.62Å
323	N	98.6	Very high	97.8	Very high	26 Å²	26	23.5 Å²	23.5	14%	0.139	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-85.5	1.1	172	-161.9	40	0	0	0	112.8	I318 G320 W321 N368 K369 Q370	I318-N323 PolarHBondContact O-ND2 3.22Å; G320-N323 WeakPolarHBondContact O-CA 3.24Å; G320-N323 VanDerWaalsContact O-CB 3.32Å; G320-N323 WeakPolarHBondContact O-CB 3.48Å; G320-N323 PolarHBondContact O-N 3.01Å; W321-N323 PolarHBondContact O-N 2.75Å; N323-N368 CarbonylContact O-C 3.6Å; N323-N368 WeakPolarHBondContact O-CA 3.2Å; N323-N368 VanDerWaalsContact O-CB 3.28Å; N323-N368 WeakPolarHBondContact O-CB 3.09Å; N323-K369 WeakPolarHBondContact O-CG 3.39Å; N323-K369 PolarHBondContact O-N 2.87Å; N323-Q370 PolarHBondContact ND2-NE2 3.46Å; N323-Q370 PolarHBondContact ND2-OE1 3.03Å; N323-Q370 PolarHBondContact OD1-NE2 2.78Å; N323-Q370 VanDerWaalsContact OD1-NE2 3.09Å; N323-Q370 PolarHBondContact OD1-OE1 2.98Å
324	L	98.7	Very high	97.8	Very high	2 Å²	2	21.7 Å²	21.7	1%	0.01	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	133.6	174.9	-174.8	62.3	0	0	0	111.5	V317 W321 D322 V327 K339 C342 V366	V317-L324 HydrophobicContact CG1-CB 4.44Å; V317-L324 HydrophobicContact CG1-CD1 4.41Å; V317-L324 HydrophobicContact CG2-CB 4.29Å; V317-L324 HydrophobicContact CG2-CD1 4.06Å; W321-L324 HydrophobicContact CD2-CD2 4.46Å; W321-L324 HydrophobicContact CE3-CD2 4.45Å; W321-L324 HydrophobicContact CH2-CD2 3.69Å; W321-L324 HydrophobicContact CZ2-CD2 3.71Å; W321-L324 HydrophobicContact CZ3-CD2 4.08Å; W321-L324 WeakPolarHBondContact O-CB 2.89Å; W321-L324 PolarHBondContact O-N 3.12Å; D322-L324 VanDerWaalsContact C-N 3.29Å; L324-V327 HydrophobicContact CD1-CG2 3.75Å; L324-V327 HydrophobicContact CD2-CG2 4.03Å; L324-V327 HydrophobicContact CG-CG2 4.41Å; L324-K339 HydrophobicContact CB-CB 4.38Å; L324-K339 HydrophobicContact CB-CD 4.31Å; L324-K339 HydrophobicContact CB-CG 4.17Å; L324-K339 HydrophobicContact CD2-CB 4.27Å; L324-K339 HydrophobicContact CD2-CG 4.13Å; L324-K339 HydrophobicContact CG-CB 4.25Å; L324-K339 HydrophobicContact CG-CG 4.38Å; L324-C342 HydrophobicContact CD2-CB 4.05Å; L324-V366 HydrophobicContact CD1-CG1 3.67Å
325	L	98.5	Very high	97.8	Very high	31 Å²	31	22.1 Å²	22.1	16%	0.162	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	-60.4	171.9	-177.7	65.8	0	0	0	110.4	K339 M367 N368 K369 V373 F452	L325-K339 PolarHBondContact O-N 3.21Å; L325-M367 WeakPolarHBondContact CA-O 3.37Å; L325-M367 WeakPolarHBondContact CB-O 3.12Å; L325-M367 PolarHBondContact N-O 3.22Å; L325-N368 WeakPolarHBondContact CB-O 3.22Å; L325-K369 HydrophobicContact CB-CG 4.29Å; L325-K369 HydrophobicContact CD1-CG 4.46Å; L325-V373 HydrophobicContact CD2-CB 3.9Å; L325-V373 HydrophobicContact CD2-CG1 4.24Å; L325-F452 HydrophobicContact CD1-CE1 3.67Å; L325-F452 HydrophobicContact CD1-CZ 4.21Å; L325-F452 HydrophobicContact CG-CE1 3.97Å; L325-F452 HydrophobicContact CG-CZ 4.13Å
326	A	98.5	Very high	97.8	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	162	-177.2	0	0	0	0	0	112.1	L336 L337 M367 F452	A326-L336 HydrophobicContact CB-CD1 3.97Å; A326-L337 CarbonylContact C-O 3.56Å; A326-L337 WeakPolarHBondContact CA-O 3.49Å; A326-L337 WeakPolarHBondContact CB-O 2.89Å; A326-M367 HydrophobicContact CB-CE 3.9Å; A326-M367 PolarHBondContact N-O 2.98Å; A326-M367 VanDerWaalsContact N-O 3.09Å; A326-M367 WeakPolarHBondContact O-CB 3.47Å; A326-M367 PolarHBondContact O-N 3.26Å; A326-M367 VanDerWaalsContact O-O 3.12Å; A326-F452 HydrophobicContact CB-CE2 4.01Å; A326-F452 HydrophobicContact CB-CZ 3.88Å
327	V	98.7	Very high	97.8	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	133.7	174.6	-178	0	0	0	0	109.2	M306 I310 L324 P329 L336 L337 V364 T365 V366	M306-V327 HydrophobicContact CE-CG1 4.11Å; M306-V327 HydrophobicContact SD-CB 3.93Å; M306-V327 HydrophobicContact SD-CG1 3.82Å; M306-V327 HydrophobicContact SD-CG2 4.02Å; I310-V327 HydrophobicContact CD1-CG2 4.42Å; L324-V327 HydrophobicContact CD1-CG2 3.75Å; L324-V327 HydrophobicContact CD2-CG2 4.03Å; L324-V327 HydrophobicContact CG-CG2 4.41Å; V327-P329 WeakPolarHBondContact O-CD 3.18Å; V327-L336 CarbonylContact O-C 3.59Å; V327-L336 WeakPolarHBondContact O-CA 3.29Å; V327-L337 PolarHBondContact N-O 3.39Å; V327-L337 PolarHBondContact O-N 2.74Å; V327-V364 HydrophobicContact CG1-CG1 3.43Å; V327-V364 VanDerWaalsContact CG1-CG1 3.43Å; V327-T365 CarbonylContact C-O 3.58Å; V327-T365 WeakPolarHBondContact CA-O 3.42Å; V327-V366 HydrophobicContact CG2-CG2 4.44Å
328	I	98.6	Very high	97.8	Very high	6 Å²	6	19.9 Å²	19.9	3%	0.031	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	111.1	163	-63.9	166	0	0	0	106.6	G331 T334 L336 V364 T365 M367 I377 L380	I328-G331 WeakPolarHBondContact CG2-O 3.39Å; I328-T334 WeakPolarHBondContact CG2-OG1 3.47Å; I328-L336 HydrophobicContact CG1-CB 3.73Å; I328-V364 CarbonylContact O-C 3.39Å; I328-V364 WeakPolarHBondContact O-CA 3.36Å; I328-T365 PolarHBondContact N-O 2.95Å; I328-T365 PolarHBondContact O-N 3.04Å; I328-M367 HydrophobicContact CD1-CE 4.13Å; I328-M367 HydrophobicContact CG1-CE 4.02Å; I328-I377 HydrophobicContact CD1-CD1 4.18Å; I328-L380 HydrophobicContact CD1-CD1 3.71Å
329	P	97.9	Very high	97.7	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	12%	0.123	C	C	.	.			trans	-77.9	-24.4	-166.3	28.2	-35.1	0	0	0	115.1	M306 V327 L337 M347 L352 S357 G358 A363	M306-P329 HydrophobicContact CE-CB 3.74Å; V327-P329 WeakPolarHBondContact O-CD 3.18Å; P329-L337 HydrophobicContact CG-CD1 4.12Å; P329-L337 HydrophobicContact CG-CG 4.44Å; P329-M347 HydrophobicContact CB-CE 4.21Å; P329-M347 HydrophobicContact CB-SD 4.49Å; P329-L352 HydrophobicContact CB-CD1 3.95Å; P329-L352 HydrophobicContact CB-CD2 3.86Å; P329-L352 HydrophobicContact CG-CD1 4.39Å; P329-L352 HydrophobicContact CG-CD2 4Å; P329-S357 VanDerWaalsContact CG-OG 3.25Å; P329-S357 WeakPolarHBondContact CG-OG 3.36Å; P329-G358 WeakPolarHBondContact CG-O 3.33Å; P329-A363 CarbonylContact C-O 3.58Å
330	G	94.9	Very high	97.7	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.118	C	C	.	.	S	Bend	trans	-135.4	30.8	-161.5	0	0	0	0	0	117	T334 L359 G360 T361 A363	G330-T334 WeakPolarHBondContact CA-OG1 3.38Å; G330-T334 PolarHBondContact N-OG1 3.27Å; G330-L359 WeakPolarHBondContact CA-O 3.25Å; G330-G360 CarbonylContact O-C 3.54Å; G330-G360 VanDerWaalsContact O-CA 3.24Å; G330-G360 WeakPolarHBondContact O-CA 3.38Å; G330-T361 PolarHBondContact O-N 2.89Å; G330-A363 PolarHBondContact N-O 3.23Å
331	G	95.1	Very high	97.7	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.11	C	C	.	.	S	Bend	trans	86.6	162.8	-166.5	0	0	0	0	0	111.2	E131 I328 S333 T334 A363	E131-G331 VanDerWaalsContact OE1-C 3.29Å; I328-G331 WeakPolarHBondContact CG2-O 3.39Å; G331-S333 PolarHBondContact O-N 2.87Å; G331-T334 PolarHBondContact O-N 2.68Å; G331-T334 PolarHBondContact O-OG1 2.75Å; G331-A363 PolarHBondContact N-O 3.12Å
332	S	96.3	Very high	97.6	Very high	2 Å²	2	22 Å²	22	1%	0.014	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-19.5	-172.3	59.5	0	0	0	0	114.9	E131 P132 T334 Y384 P444	E131-S332 PolarHBondContact OE1-N 3.24Å; E131-S332 PolarHBondContact OE1-OG 2.93Å; P132-S332 WeakPolarHBondContact CD-OG 3.47Å; P132-S332 VanDerWaalsContact CG-OG 3.29Å; P132-S332 WeakPolarHBondContact CG-OG 3.2Å; P132-S332 PolarHBondContact O-N 3.48Å; S332-T334 PolarHBondContact O-N 3.2Å; S332-Y384 VanDerWaalsContact C-OH 3.22Å; S332-Y384 PolarHBondContact OG-OH 3.18Å; S332-P444 WeakPolarHBondContact O-CG 3.39Å
333	S	94.9	Very high	97.6	Very high	18 Å²	18	18.5 Å²	18.5	13%	0.126	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-21.7	177.4	49.2	0	0	0	0	112.2	E131 G331 Y384 W443	E131-S333 WeakPolarHBondContact OE1-CB 3.4Å; E131-S333 PolarHBondContact OE1-N 3.27Å; E131-S333 PolarHBondContact OE1-OG 2.83Å; G331-S333 PolarHBondContact O-N 2.87Å; S333-Y384 WeakPolarHBondContact CA-OH 3.09Å; S333-Y384 PolarHBondContact N-OH 3.27Å; S333-W443 WeakPolarHBondContact O-CB 3.46Å; S333-W443 VanDerWaalsContact O-CE3 3.27Å
334	T	97.3	Very high	97.5	Very high	5 Å²	5	24 Å²	24	3%	0.031	12%	0.117	C	C	.	.	S	Bend	trans	-90.5	143.1	-173.4	61.2	0	0	0	0	112.9	I328 G330 G331 S332 L336 G358	I328-T334 WeakPolarHBondContact CG2-OG1 3.47Å; G330-T334 WeakPolarHBondContact CA-OG1 3.38Å; G330-T334 PolarHBondContact N-OG1 3.27Å; G331-T334 PolarHBondContact O-N 2.68Å; G331-T334 PolarHBondContact O-OG1 2.75Å; S332-T334 PolarHBondContact O-N 3.2Å; T334-L336 PolarHBondContact O-N 2.9Å; T334-G358 WeakPolarHBondContact CG2-O 3.34Å
335	P	97.9	Very high	97.4	Very high	9 Å²	9	24.5 Å²	24.5	6%	0.058	12%	0.119	C	C	.	.	P	Polyproline II helix	trans	-57.4	133.7	172.9	-24.3	32.8	0	0	0	112	N356 S357 W443	P335-N356 WeakPolarHBondContact CG-O 3.49Å; P335-S357 WeakPolarHBondContact O-CB 3.34Å; P335-S357 PolarHBondContact O-OG 3.09Å; P335-W443 HydrophobicContact CG-CB 3.92Å; P335-W443 HydrophobicContact CG-CG 4.37Å
336	L	98.3	Very high	97.4	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.125	C	C	.	.	P	Polyproline II helix	trans	-64.5	148.1	174	68.2	98.6	0	0	0	111.9	A326 V327 I328 T334 M367 V373 I377 L448 H451 F452	A326-L336 HydrophobicContact CB-CD1 3.97Å; V327-L336 CarbonylContact O-C 3.59Å; V327-L336 WeakPolarHBondContact O-CA 3.29Å; I328-L336 HydrophobicContact CG1-CB 3.73Å; T334-L336 PolarHBondContact O-N 2.9Å; L336-M367 HydrophobicContact CB-CE 4.46Å; L336-V373 HydrophobicContact CD2-CG2 4.46Å; L336-I377 HydrophobicContact CD2-CD1 3.52Å; L336-I377 HydrophobicContact CD2-CG1 3.66Å; L336-L448 HydrophobicContact CD2-CB 4.01Å; L336-L448 HydrophobicContact CD2-CD1 4.28Å; L336-H451 HydrophobicContact CD1-CB 4.38Å; L336-H451 PolarHBondContact O-CD2 2.9Å; L336-F452 HydrophobicContact CD1-CD2 3.56Å; L336-F452 HydrophobicContact CD1-CE2 3.23Å; L336-F452 HydrophobicContact CD1-CZ 4.4Å
337	L	98.5	Very high	97.4	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	132.5	178.4	-63.3	-180	0	0	0	110.2	M306 A326 V327 P329 I341 V345 L352 V355	M306-L337 HydrophobicContact CE-CD1 4.23Å; A326-L337 CarbonylContact C-O 3.56Å; A326-L337 WeakPolarHBondContact CA-O 3.49Å; A326-L337 WeakPolarHBondContact CB-O 2.89Å; V327-L337 PolarHBondContact N-O 3.39Å; V327-L337 PolarHBondContact O-N 2.74Å; P329-L337 HydrophobicContact CG-CD1 4.12Å; P329-L337 HydrophobicContact CG-CG 4.44Å; L337-I341 HydrophobicContact CD1-CG2 4.29Å; L337-I341 HydrophobicContact CD2-CD1 4.4Å; L337-I341 HydrophobicContact CD2-CG2 4.25Å; L337-V345 HydrophobicContact CD1-CG1 4.43Å; L337-L352 HydrophobicContact CD1-CD2 3.7Å; L337-V355 HydrophobicContact CD1-CG2 4Å; L337-V355 HydrophobicContact CD2-CB 4.46Å; L337-V355 HydrophobicContact CD2-CG2 3.93Å
338	P	98.3	Very high	97.3	Very high	5 Å²	5	25.6 Å²	25.6	3%	0.032	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	155.2	174.4	31.7	-33.8	0	0	0	111	R340 I341 C342 H451 F452	P338-R340 VanDerWaalsContact CB-NH1 3.34Å; P338-R340 HydrophobicContact CG-CG 4.1Å; P338-R340 VanDerWaalsContact CG-CZ 3.42Å; P338-R340 PolarHBondContact O-N 3.22Å; P338-I341 HydrophobicContact CG-CD1 4.12Å; P338-I341 HydrophobicContact CG-CG1 4.13Å; P338-I341 PolarHBondContact O-N 3Å; P338-C342 PolarHBondContact O-N 2.77Å; P338-C342 PolarHBondContact O-SG 2.71Å; P338-H451 HydrophobicContact CB-CB 4.46Å; P338-H451 HydrophobicContact CG-CB 4.14Å; P338-F452 HydrophobicContact CB-CE2 4.38Å; P338-F452 HydrophobicContact CB-CZ 4.34Å
339	K	98.1	Very high	97.1	Very high	46 Å²	46	25.8 Å²	25.8	20%	0.2	13%	0.125	C	C	.	.	H	α-helix	trans	-41.1	-47.1	-178.8	-179.5	-172.2	178.2	-54.3	0	114.3	W321 L324 L325 I341 C342 D343	W321-K339 WeakPolarHBondContact O-CE 3.39Å; L324-K339 HydrophobicContact CB-CB 4.38Å; L324-K339 HydrophobicContact CB-CD 4.31Å; L324-K339 HydrophobicContact CB-CG 4.17Å; L324-K339 HydrophobicContact CD2-CB 4.27Å; L324-K339 HydrophobicContact CD2-CG 4.13Å; L324-K339 HydrophobicContact CG-CB 4.25Å; L324-K339 HydrophobicContact CG-CG 4.38Å; L325-K339 PolarHBondContact O-N 3.21Å; K339-I341 PolarHBondContact O-N 3.16Å; K339-I341 VanDerWaalsContact O-N 3.08Å; K339-C342 CarbonylContact O-C 3.47Å; K339-C342 WeakPolarHBondContact O-CA 3.47Å; K339-C342 WeakPolarHBondContact O-CB 3.16Å; K339-C342 PolarHBondContact O-N 3.37Å; K339-D343 VanDerWaalsContact NZ-CG 3.32Å; K339-D343 IonicContact NZ-OD1 2.66Å; K339-D343 PolarHBondContact NZ-OD1 3.37Å; K339-D343 IonicContact NZ-OD2 3.16Å; K339-D343 PolarHBondContact NZ-OD2 2.72Å; K339-D343 PolarHBondContact O-N 3.06Å
340	R	97.5	Very high	97.1	Very high	155 Å²	155	26.9 Å²	26.9	59%	0.585	13%	0.131	S	C	*	.	H	α-helix	trans	-55.7	-27.3	-178	70.4	-178.8	177.9	-86	4.5	114.6	P338	P338-R340 VanDerWaalsContact CB-NH1 3.34Å; P338-R340 HydrophobicContact CG-CG 4.1Å; P338-R340 VanDerWaalsContact CG-CZ 3.42Å; P338-R340 PolarHBondContact O-N 3.22Å
341	I	97.9	Very high	97.2	Very high	38 Å²	38	27.5 Å²	27.5	20%	0.195	14%	0.136	C	C	.	.	H	α-helix	trans	-88.4	-39.7	175.4	-59.4	-175	0	0	0	109.4	L337 P338 K339 D343 D344 V345 V355	L337-I341 HydrophobicContact CD1-CG2 4.29Å; L337-I341 HydrophobicContact CD2-CD1 4.4Å; L337-I341 HydrophobicContact CD2-CG2 4.25Å; P338-I341 HydrophobicContact CG-CD1 4.12Å; P338-I341 HydrophobicContact CG-CG1 4.13Å; P338-I341 PolarHBondContact O-N 3Å; K339-I341 PolarHBondContact O-N 3.16Å; K339-I341 VanDerWaalsContact O-N 3.08Å; I341-D343 PolarHBondContact O-N 3.27Å; I341-D344 PolarHBondContact O-N 2.97Å; I341-V345 HydrophobicContact CG2-CB 4.31Å; I341-V345 WeakPolarHBondContact O-CB 3.42Å; I341-V345 PolarHBondContact O-N 3.08Å; I341-V345 VanDerWaalsContact O-N 3.16Å; I341-V355 HydrophobicContact CG2-CB 3.84Å; I341-V355 HydrophobicContact CG2-CG1 3.78Å; I341-V355 HydrophobicContact CG2-CG2 4.04Å
342	C	98	Very high	97.3	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-61.9	-23.2	178.8	-55.6	0	0	0	0	113.8	M306 W321 L324 P338 K339 D344	M306-C342 HydrophobicContact SD-CB 3.68Å; M306-C342 VanDerWaalsContact SD-SG 3.69Å; W321-C342 HydrophobicContact CH2-CB 4.49Å; W321-C342 HydrophobicContact CZ2-CB 4.24Å; L324-C342 HydrophobicContact CD2-CB 4.05Å; P338-C342 PolarHBondContact O-N 2.77Å; P338-C342 PolarHBondContact O-SG 2.71Å; K339-C342 CarbonylContact O-C 3.47Å; K339-C342 WeakPolarHBondContact O-CA 3.47Å; K339-C342 WeakPolarHBondContact O-CB 3.16Å; K339-C342 PolarHBondContact O-N 3.37Å; C342-D344 VanDerWaalsContact C-N 3.27Å; C342-D344 PolarHBondContact O-N 3.22Å
343	D	97.3	Very high	97.3	Very high	46 Å²	46	33.1 Å²	33.1	25%	0.246	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-38.9	178.5	-75.2	-38.1	0	0	0	112.2	W321 K339 I341	W321-D343 PolarHBondContact NE1-OD1 3.47Å; K339-D343 VanDerWaalsContact NZ-CG 3.32Å; K339-D343 IonicContact NZ-OD1 2.66Å; K339-D343 PolarHBondContact NZ-OD1 3.37Å; K339-D343 IonicContact NZ-OD2 3.16Å; K339-D343 PolarHBondContact NZ-OD2 2.72Å; K339-D343 PolarHBondContact O-N 3.06Å; I341-D343 PolarHBondContact O-N 3.27Å
344	D	95.7	Very high	97.4	Very high	142 Å²	142	40 Å²	40	76%	0.759	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-124.9	-6.7	-171.9	-57.8	-56.2	0	0	0	114.5	I341 C342	I341-D344 PolarHBondContact O-N 2.97Å; C342-D344 VanDerWaalsContact C-N 3.27Å; C342-D344 PolarHBondContact O-N 3.22Å
345	V	97.7	Very high	97.4	Very high	11 Å²	11	41.5 Å²	41.5	7%	0.067	20%	0.2	C	C	.	.			trans	-70.8	136.1	-174	75	0	0	0	0	112.2	M306 L337 I341 L352 V355	M306-V345 HydrophobicContact CB-CG1 3.8Å; M306-V345 HydrophobicContact CE-CG1 3.69Å; M306-V345 PolarHBondContact N-O 2.95Å; M306-V345 HydrophobicContact SD-CG1 4.05Å; L337-V345 HydrophobicContact CD1-CG1 4.43Å; I341-V345 HydrophobicContact CG2-CB 4.31Å; I341-V345 WeakPolarHBondContact O-CB 3.42Å; I341-V345 PolarHBondContact O-N 3.08Å; I341-V345 VanDerWaalsContact O-N 3.16Å; V345-L352 HydrophobicContact CG1-CD2 4.48Å; V345-L352 HydrophobicContact CG2-CD2 3.78Å; V345-V355 HydrophobicContact CG2-CG1 4.45Å; V345-V355 HydrophobicContact CG2-CG2 4.03Å
346	M	97.7	Very high	97.3	Very high	55 Å²	55	46.1 Å²	46.1	27%	0.271	23%	0.225	S	C	.	.	B	Isolated β-bridge	trans	-85.9	143	173.4	-66.4	177.5	179.9	0	0	111.2	F42 D348 A351	F42-M346 HydrophobicContact CD2-SD 4.49Å; M346-D348 VanDerWaalsContact C-N 3.3Å; M346-D348 PolarHBondContact O-N 3.31Å; M346-A351 HydrophobicContact CB-CB 3.91Å; M346-A351 WeakPolarHBondContact O-CB 3.44Å
347	M	98.2	Very high	97.2	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.229	C	C	.	.	S	Bend	trans	-84.4	70.9	177.7	-66.8	-58.9	-62.8	0	0	111.5	F286 S303 I304 M306 L309 P329 L352 L359 V364	F286-M347 HydrophobicContact CD1-CE 4.21Å; F286-M347 HydrophobicContact CE1-CB 3.7Å; F286-M347 HydrophobicContact CE1-CE 3.93Å; F286-M347 HydrophobicContact CE1-CG 4.31Å; F286-M347 HydrophobicContact CZ-CB 3.94Å; S303-M347 PolarHBondContact N-O 2.81Å; S303-M347 VanDerWaalsContact N-O 3.13Å; I304-M347 HydrophobicContact CG2-CB 4.11Å; I304-M347 WeakPolarHBondContact O-CB 3.35Å; I304-M347 PolarHBondContact O-N 3.42Å; M306-M347 HydrophobicContact CB-CG 3.95Å; M306-M347 HydrophobicContact CB-SD 3.8Å; M306-M347 HydrophobicContact CE-CE 4.48Å; M306-M347 HydrophobicContact CE-SD 3.38Å; M306-M347 WeakPolarHBondContact CE-SD 3.3Å; M306-M347 HydrophobicContact CG-CG 4.48Å; M306-M347 HydrophobicContact CG-SD 3.91Å; L309-M347 HydrophobicContact CD2-CG 4.11Å; P329-M347 HydrophobicContact CB-CE 4.21Å; P329-M347 HydrophobicContact CB-SD 4.49Å; M347-L352 HydrophobicContact CE-CD1 4.28Å; M347-L352 HydrophobicContact SD-CD1 4.32Å; M347-L359 HydrophobicContact CE-CD1 3.87Å; M347-V364 HydrophobicContact CE-CG2 3.59Å
348	D	97.2	Very high	97.1	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.238	C	C	.	.	S	Bend	trans	-142	170.7	169.6	66.4	50.5	0	0	0	112.3	R277 N280 M302 S303 M346 D350 A351 L352	R277-D348 IonicContact CZ-OD1 2.77Å; R277-D348 IonicContact CZ-OD2 2.83Å; R277-D348 IonicContact NE-OD2 3.3Å; R277-D348 PolarHBondContact NE-OD2 3.15Å; R277-D348 IonicContact NH2-OD1 2.84Å; R277-D348 PolarHBondContact NH2-OD1 3.26Å; R277-D348 IonicContact NH2-OD2 3.37Å; R277-D348 PolarHBondContact NH2-OD2 3.46Å; N280-D348 HydrophobicContact CB-CB 3.75Å; M302-D348 HydrophobicContact CE-CB 3.83Å; S303-D348 VanDerWaalsContact CB-OD2 3.3Å; S303-D348 WeakPolarHBondContact CB-OD2 3.47Å; S303-D348 WeakPolarHBondContact OG-CB 3.42Å; S303-D348 PolarHBondContact OG-OD2 3.11Å; M346-D348 VanDerWaalsContact C-N 3.3Å; M346-D348 PolarHBondContact O-N 3.31Å; D348-D350 PolarHBondContact O-N 2.84Å; D348-D350 PolarHBondContact OD1-N 3.28Å; D348-A351 WeakPolarHBondContact OD1-CB 3.46Å; D348-A351 PolarHBondContact OD1-N 3.29Å; D348-L352 WeakPolarHBondContact O-CB 3.3Å; D348-L352 WeakPolarHBondContact O-CG 3.44Å; D348-L352 PolarHBondContact O-N 2.65Å
349	F	95.2	Very high	97	Very high	9 Å²	9	47.5 Å²	47.5	4%	0.039	24%	0.237	C	C	.	.	H	α-helix	trans	-63.1	-44.1	-173.7	-64.8	-80.4	0	0	0	111.9	R96 N280 M302 M353 L359	R96-F349 HydrophobicContact CB-CD2 4.41Å; R96-F349 HydrophobicContact CB-CE2 3.85Å; R96-F349 HydrophobicContact CB-CZ 4.4Å; N280-F349 WeakPolarHBondContact OD1-CB 3.44Å; N280-F349 PolarHBondContact OD1-N 3.43Å; N280-F349 VanDerWaalsContact OD1-N 3.13Å; M302-F349 HydrophobicContact CE-CD2 3.72Å; M302-F349 HydrophobicContact CE-CE2 3.79Å; F349-M353 VanDerWaalsContact O-CB 3.3Å; F349-M353 WeakPolarHBondContact O-CB 3.18Å; F349-M353 PolarHBondContact O-N 3.09Å; F349-M353 VanDerWaalsContact O-N 3.11Å; F349-L359 HydrophobicContact CD1-CB 3.72Å; F349-L359 HydrophobicContact CD1-CD2 3.95Å; F349-L359 HydrophobicContact CD1-CG 4.42Å; F349-L359 HydrophobicContact CD2-CD2 3.93Å; F349-L359 HydrophobicContact CE1-CB 4.07Å; F349-L359 HydrophobicContact CE1-CD2 3.9Å; F349-L359 HydrophobicContact CE1-CG 4.41Å; F349-L359 HydrophobicContact CE2-CD2 3.88Å; F349-L359 HydrophobicContact CG-CB 4.21Å; F349-L359 HydrophobicContact CG-CD2 3.96Å; F349-L359 HydrophobicContact CZ-CD2 3.86Å
350	D	96.5	Very high	96.9	Very high	24 Å²	24	45.7 Å²	45.7	13%	0.128	23%	0.232	C	C	.	.	H	α-helix	trans	-80.3	-34.3	-170.2	-62.1	-10.3	0	0	0	112.1	R96 R279 N280 D348 K354	R96-D350 IonicContact CZ-OD1 2.65Å; R96-D350 IonicContact NH1-OD1 2.69Å; R96-D350 PolarHBondContact NH1-OD1 2.9Å; R96-D350 IonicContact NH1-OD2 2.75Å; R96-D350 IonicContact NH2-OD1 3.73Å; R279-D350 IonicContact NE-OD2 3.16Å; N280-D350 VanDerWaalsContact ND2-CG 3.27Å; N280-D350 PolarHBondContact ND2-OD2 3.03Å; N280-D350 PolarHBondContact OD1-N 3.05Å; D348-D350 PolarHBondContact O-N 2.84Å; D348-D350 PolarHBondContact OD1-N 3.28Å; D350-K354 VanDerWaalsContact O-CG 3.3Å; D350-K354 WeakPolarHBondContact O-CG 3.28Å; D350-K354 PolarHBondContact O-N 2.72Å; D350-K354 VanDerWaalsContact O-N 3.15Å
351	A	97.2	Very high	96.9	Very high	13 Å²	13	38.9 Å²	38.9	11%	0.107	21%	0.207	C	C	.	.	H	α-helix	trans	-66.6	-44.8	175.4	0	0	0	0	0	111.2	M346 D348 K354 V355	M346-A351 HydrophobicContact CB-CB 3.91Å; M346-A351 WeakPolarHBondContact O-CB 3.44Å; D348-A351 WeakPolarHBondContact OD1-CB 3.46Å; D348-A351 PolarHBondContact OD1-N 3.29Å; A351-K354 PolarHBondContact O-N 2.91Å; A351-V355 PolarHBondContact O-N 3.45Å
352	L	97.8	Very high	96.8	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-68.4	-36	178.7	-70.4	169.9	0	0	0	112.1	M306 P329 L337 V345 M347 D348 K354 V355 S357 L359	M306-L352 HydrophobicContact CE-CD2 4.39Å; P329-L352 HydrophobicContact CB-CD1 3.95Å; P329-L352 HydrophobicContact CB-CD2 3.86Å; P329-L352 HydrophobicContact CG-CD1 4.39Å; P329-L352 HydrophobicContact CG-CD2 4Å; L337-L352 HydrophobicContact CD1-CD2 3.7Å; V345-L352 HydrophobicContact CG1-CD2 4.48Å; V345-L352 HydrophobicContact CG2-CD2 3.78Å; M347-L352 HydrophobicContact CE-CD1 4.28Å; M347-L352 HydrophobicContact SD-CD1 4.32Å; D348-L352 WeakPolarHBondContact O-CB 3.3Å; D348-L352 WeakPolarHBondContact O-CG 3.44Å; D348-L352 PolarHBondContact O-N 2.65Å; L352-K354 VanDerWaalsContact C-N 3.34Å; L352-K354 PolarHBondContact O-N 3.26Å; L352-V355 HydrophobicContact CD2-CG2 4.44Å; L352-V355 WeakPolarHBondContact O-CG2 3.21Å; L352-V355 PolarHBondContact O-N 3.18Å; L352-S357 CarbonylContact C-O 3.28Å; L352-S357 CarbonylContact O-C 3.16Å; L352-S357 VanDerWaalsContact O-C 3.28Å; L352-S357 WeakPolarHBondContact O-CA 3.45Å; L352-S357 PolarHBondContact O-N 3.09Å; L352-S357 VanDerWaalsContact O-O 3.1Å; L352-L359 VanDerWaalsContact CD1-CA 3.49Å; L352-L359 HydrophobicContact CD1-CB 3.8Å; L352-L359 HydrophobicContact CD1-CD1 3.53Å; L352-L359 HydrophobicContact CD1-CG 4.28Å
353	M	96	Very high	96.8	Very high	119 Å²	119	37 Å²	37	59%	0.586	20%	0.198	S	C	*	.	H	α-helix	trans	-61	-41.3	172.7	-170.8	-178.7	-62.4	0	0	112.2	F349 V355 N356 S357	F349-M353 VanDerWaalsContact O-CB 3.3Å; F349-M353 WeakPolarHBondContact O-CB 3.18Å; F349-M353 PolarHBondContact O-N 3.09Å; F349-M353 VanDerWaalsContact O-N 3.11Å; M353-V355 PolarHBondContact O-N 2.78Å; M353-N356 PolarHBondContact O-N 3.14Å; M353-S357 WeakPolarHBondContact CA-O 3.25Å
354	K	97.1	Very high	96.9	Very high	162 Å²	162	34.9 Å²	34.9	70%	0.704	19%	0.186	S	C	*	.	H	α-helix	trans	-62.7	-26.6	178.2	-76.1	174.9	-177	-173.4	0	113.7	D350 A351 L352 N356	D350-K354 VanDerWaalsContact O-CG 3.3Å; D350-K354 WeakPolarHBondContact O-CG 3.28Å; D350-K354 PolarHBondContact O-N 2.72Å; D350-K354 VanDerWaalsContact O-N 3.15Å; A351-K354 PolarHBondContact O-N 2.91Å; L352-K354 VanDerWaalsContact C-N 3.34Å; L352-K354 PolarHBondContact O-N 3.26Å; K354-N356 VanDerWaalsContact C-N 3.31Å
355	V	97	Very high	97	Very high	38 Å²	38	29.6 Å²	29.6	23%	0.23	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	20.2	176.8	-59.7	0	0	0	0	112.7	L337 I341 V345 A351 L352 M353 S357	L337-V355 HydrophobicContact CD1-CG2 4Å; L337-V355 HydrophobicContact CD2-CB 4.46Å; L337-V355 HydrophobicContact CD2-CG2 3.93Å; I341-V355 HydrophobicContact CG2-CB 3.84Å; I341-V355 HydrophobicContact CG2-CG1 3.78Å; I341-V355 HydrophobicContact CG2-CG2 4.04Å; V345-V355 HydrophobicContact CG2-CG1 4.45Å; V345-V355 HydrophobicContact CG2-CG2 4.03Å; A351-V355 PolarHBondContact O-N 3.45Å; L352-V355 HydrophobicContact CD2-CG2 4.44Å; L352-V355 WeakPolarHBondContact O-CG2 3.21Å; L352-V355 PolarHBondContact O-N 3.18Å; M353-V355 PolarHBondContact O-N 2.78Å; V355-S357 VanDerWaalsContact C-N 3.3Å; V355-S357 PolarHBondContact O-N 3.48Å
356	N	95.9	Very high	97.1	Very high	106 Å²	106	29.1 Å²	29.1	57%	0.567	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.6	38.1	-179.9	-58.2	-59.4	0	0	0	113.5	P335 M353 K354 R450	P335-N356 WeakPolarHBondContact CG-O 3.49Å; M353-N356 PolarHBondContact O-N 3.14Å; K354-N356 VanDerWaalsContact C-N 3.31Å; N356-R450 PolarHBondContact O-NH2 3.14Å
357	S	97.1	Very high	97.1	Very high	14 Å²	14	27 Å²	27	10%	0.098	15%	0.145	C	C	.	.			trans	-131.2	-161.3	168.5	-171.7	0	0	0	0	109.7	P329 P335 L352 M353 V355	P329-S357 VanDerWaalsContact CG-OG 3.25Å; P329-S357 WeakPolarHBondContact CG-OG 3.36Å; P335-S357 WeakPolarHBondContact O-CB 3.34Å; P335-S357 PolarHBondContact O-OG 3.09Å; L352-S357 CarbonylContact C-O 3.28Å; L352-S357 CarbonylContact O-C 3.16Å; L352-S357 VanDerWaalsContact O-C 3.28Å; L352-S357 WeakPolarHBondContact O-CA 3.45Å; L352-S357 PolarHBondContact O-N 3.09Å; L352-S357 VanDerWaalsContact O-O 3.1Å; M353-S357 WeakPolarHBondContact CA-O 3.25Å; V355-S357 VanDerWaalsContact C-N 3.3Å; V355-S357 PolarHBondContact O-N 3.48Å
358	G	96.1	Very high	97.2	Very high	18 Å²	18	27.4 Å²	27.4	19%	0.186	15%	0.148	C	C	.	.			trans	-150.3	159.1	177.5	0	0	0	0	0	111.6	P329 T334	P329-G358 WeakPolarHBondContact CG-O 3.33Å; T334-G358 WeakPolarHBondContact CG2-O 3.34Å
359	L	96.9	Very high	97.2	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.01	17%	0.173	C	C	.	.			trans	-76.7	-27.9	175.1	-173.8	66.4	0	0	0	112.6	F286 M302 G330 M347 F349 L352 T361 A362	F286-L359 HydrophobicContact CE1-CD1 4.39Å; M302-L359 HydrophobicContact CE-CD2 3.69Å; M302-L359 HydrophobicContact SD-CD2 4.01Å; G330-L359 WeakPolarHBondContact CA-O 3.25Å; M347-L359 HydrophobicContact CE-CD1 3.87Å; F349-L359 HydrophobicContact CD1-CB 3.72Å; F349-L359 HydrophobicContact CD1-CD2 3.95Å; F349-L359 HydrophobicContact CD1-CG 4.42Å; F349-L359 HydrophobicContact CD2-CD2 3.93Å; F349-L359 HydrophobicContact CE1-CB 4.07Å; F349-L359 HydrophobicContact CE1-CD2 3.9Å; F349-L359 HydrophobicContact CE1-CG 4.41Å; F349-L359 HydrophobicContact CE2-CD2 3.88Å; F349-L359 HydrophobicContact CG-CB 4.21Å; F349-L359 HydrophobicContact CG-CD2 3.96Å; F349-L359 HydrophobicContact CZ-CD2 3.86Å; L352-L359 VanDerWaalsContact CD1-CA 3.49Å; L352-L359 HydrophobicContact CD1-CB 3.8Å; L352-L359 HydrophobicContact CD1-CD1 3.53Å; L352-L359 HydrophobicContact CD1-CG 4.28Å; L359-T361 PolarHBondContact O-N 2.86Å; L359-A362 HydrophobicContact CD1-CB 4.01Å; L359-A362 HydrophobicContact CG-CB 4.22Å; L359-A362 WeakPolarHBondContact O-CA 3.45Å; L359-A362 PolarHBondContact O-N 3.35Å
360	G	95.3	Very high	97.3	Very high	8 Å²	8	39 Å²	39	8%	0.082	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.1	-126.8	-178	0	0	0	0	0	112.9	G100 G330 A362	G100-G360 WeakPolarHBondContact CA-O 3.48Å; G330-G360 CarbonylContact O-C 3.54Å; G330-G360 VanDerWaalsContact O-CA 3.24Å; G330-G360 WeakPolarHBondContact O-CA 3.38Å; G360-A362 VanDerWaalsContact C-N 3.26Å; G360-A362 PolarHBondContact O-N 3.01Å
361	T	96.5	Very high	97.4	Very high	11 Å²	11	38.9 Å²	38.9	7%	0.067	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-3.5	178.1	61.2	0	0	0	0	113.7	E131 T134 K136 K284 G330 L359 A363	E131-T361 HydrophobicContact CB-CG2 4.29Å; E131-T361 HydrophobicContact CG-CG2 4.1Å; T134-T361 HydrophobicContact CG2-CG2 3.97Å; T134-T361 PolarHBondContact OG1-OG1 3.4Å; K136-T361 WeakPolarHBondContact CD-O 3.02Å; K136-T361 WeakPolarHBondContact CE-O 3.35Å; K284-T361 WeakPolarHBondContact CE-O 3.11Å; K284-T361 PolarHBondContact NZ-O 2.85Å; G330-T361 PolarHBondContact O-N 2.89Å; L359-T361 PolarHBondContact O-N 2.86Å; T361-A363 VanDerWaalsContact C-N 3.3Å; T361-A363 WeakPolarHBondContact OG1-CB 2.94Å; T361-A363 PolarHBondContact OG1-N 3.1Å
362	A	97.6	Very high	97.4	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.209	C	C	.	.			trans	62.2	32.1	-167.1	0	0	0	0	0	114.1	K284 F286 C287 L359 G360 V364	K284-A362 HydrophobicContact CD-CB 4.22Å; K284-A362 HydrophobicContact CG-CB 3.7Å; F286-A362 WeakPolarHBondContact CA-O 3.27Å; F286-A362 HydrophobicContact CD1-CB 3.63Å; F286-A362 HydrophobicContact CE1-CB 3.76Å; F286-A362 HydrophobicContact CG-CB 4.48Å; C287-A362 PolarHBondContact N-O 2.99Å; C287-A362 VanDerWaalsContact N-O 3.08Å; L359-A362 HydrophobicContact CD1-CB 4.01Å; L359-A362 HydrophobicContact CG-CB 4.22Å; L359-A362 WeakPolarHBondContact O-CA 3.45Å; L359-A362 PolarHBondContact O-N 3.35Å; G360-A362 VanDerWaalsContact C-N 3.26Å; G360-A362 PolarHBondContact O-N 3.01Å; A362-V364 PolarHBondContact O-N 2.97Å
363	A	97.9	Very high	97.4	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	-83.8	103.7	167.2	0	0	0	0	0	111.1	G133 T134 C287 P329 G330 G331 T361 T365	G133-A363 VanDerWaalsContact O-CB 3.24Å; G133-A363 WeakPolarHBondContact O-CB 3.48Å; T134-A363 WeakPolarHBondContact OG1-CB 3.16Å; C287-A363 HydrophobicContact CB-CB 4.24Å; C287-A363 CarbonylContact O-C 3.45Å; C287-A363 WeakPolarHBondContact O-CA 3.3Å; P329-A363 CarbonylContact C-O 3.58Å; G330-A363 PolarHBondContact N-O 3.23Å; G331-A363 PolarHBondContact N-O 3.12Å; T361-A363 VanDerWaalsContact C-N 3.3Å; T361-A363 WeakPolarHBondContact OG1-CB 2.94Å; T361-A363 PolarHBondContact OG1-N 3.1Å; A363-T365 PolarHBondContact O-N 2.81Å
364	V	98.6	Very high	97.5	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	99.2	-175.1	-172.2	0	0	0	0	109.4	F286 C287 I288 S289 L309 I310 V327 I328 M347 A362 V366	F286-V364 HydrophobicContact CD1-CG2 4.36Å; C287-V364 PolarHBondContact O-N 2.87Å; I288-V364 WeakPolarHBondContact CA-O 3.43Å; I288-V364 HydrophobicContact CG1-CB 4.33Å; S289-V364 PolarHBondContact N-O 3.36Å; L309-V364 HydrophobicContact CD2-CG2 4.34Å; I310-V364 HydrophobicContact CD1-CG1 4.2Å; I310-V364 HydrophobicContact CG1-CG1 4.46Å; V327-V364 HydrophobicContact CG1-CG1 3.43Å; V327-V364 VanDerWaalsContact CG1-CG1 3.43Å; I328-V364 CarbonylContact O-C 3.39Å; I328-V364 WeakPolarHBondContact O-CA 3.36Å; M347-V364 HydrophobicContact CE-CG2 3.59Å; A362-V364 PolarHBondContact O-N 2.97Å; V364-V366 HydrophobicContact CG1-CG2 4.17Å
365	T	98.7	Very high	97.6	Very high	31 Å²	31	32.7 Å²	32.7	19%	0.19	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	109.2	175.7	-51	0	0	0	0	110.3	V327 I328 A363	V327-T365 CarbonylContact C-O 3.58Å; V327-T365 WeakPolarHBondContact CA-O 3.42Å; I328-T365 PolarHBondContact N-O 2.95Å; I328-T365 PolarHBondContact O-N 3.04Å; A363-T365 PolarHBondContact O-N 2.81Å
366	V	98.8	Very high	97.6	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.006	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	133.2	-177.7	-179.7	0	0	0	0	110.5	I288 S289 G290 H291 V292 I310 V317 L324 V327 V364	I288-V366 HydrophobicContact CG2-CG2 4.28Å; S289-V366 PolarHBondContact O-N 3.3Å; G290-V366 WeakPolarHBondContact CA-O 3.4Å; H291-V366 PolarHBondContact N-O 2.89Å; V292-V366 HydrophobicContact CG1-CB 3.76Å; V292-V366 HydrophobicContact CG1-CG1 3.92Å; V292-V366 HydrophobicContact CG1-CG2 3.59Å; I310-V366 HydrophobicContact CD1-CG2 3.8Å; I310-V366 HydrophobicContact CG1-CG2 4.3Å; V317-V366 HydrophobicContact CG1-CG1 4.27Å; V317-V366 HydrophobicContact CG2-CG1 4.02Å; L324-V366 HydrophobicContact CD1-CG1 3.67Å; V327-V366 HydrophobicContact CG2-CG2 4.44Å; V364-V366 HydrophobicContact CG1-CG2 4.17Å
367	M	98.7	Very high	97.7	Very high	10 Å²	10	27.3 Å²	27.3	5%	0.049	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	121.2	175.7	-63.1	176	-77.5	0	0	109.5	L325 A326 I328 L336 T371 V373 A376	L325-M367 WeakPolarHBondContact CA-O 3.37Å; L325-M367 WeakPolarHBondContact CB-O 3.12Å; L325-M367 PolarHBondContact N-O 3.22Å; A326-M367 HydrophobicContact CB-CE 3.9Å; A326-M367 PolarHBondContact N-O 2.98Å; A326-M367 VanDerWaalsContact N-O 3.09Å; A326-M367 WeakPolarHBondContact O-CB 3.47Å; A326-M367 PolarHBondContact O-N 3.26Å; A326-M367 VanDerWaalsContact O-O 3.12Å; I328-M367 HydrophobicContact CD1-CE 4.13Å; I328-M367 HydrophobicContact CG1-CE 4.02Å; L336-M367 HydrophobicContact CB-CE 4.46Å; M367-T371 HydrophobicContact CB-CG2 4.23Å; M367-T371 HydrophobicContact CG-CG2 4.23Å; M367-T371 HydrophobicContact SD-CG2 4.24Å; M367-V373 HydrophobicContact CE-CG2 4.32Å; M367-V373 HydrophobicContact SD-CG2 4.26Å; M367-A376 HydrophobicContact SD-CB 4.04Å
368	N	98.5	Very high	97.8	Very high	9 Å²	9	26.6 Å²	26.6	5%	0.048	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	176.4	174.8	70.9	6.4	0	0	0	111.7	H291 V317 N323 L325 Q370 T371	H291-N368 HydrophobicContact CB-CB 3.96Å; H291-N368 VanDerWaalsContact ND1-CG 3.27Å; H291-N368 PolarHBondContact ND1-N 3.1Å; H291-N368 PolarHBondContact ND1-OD1 3.43Å; V317-N368 HydrophobicContact CG1-CB 4.03Å; N323-N368 CarbonylContact O-C 3.6Å; N323-N368 WeakPolarHBondContact O-CA 3.2Å; N323-N368 VanDerWaalsContact O-CB 3.28Å; N323-N368 WeakPolarHBondContact O-CB 3.09Å; L325-N368 WeakPolarHBondContact CB-O 3.22Å; N368-Q370 PolarHBondContact ND2-OE1 3.01Å; N368-Q370 PolarHBondContact O-N 3.49Å; N368-Q370 PolarHBondContact OD1-N 3.31Å; N368-Q370 PolarHBondContact OD1-OE1 3.07Å; N368-T371 WeakPolarHBondContact O-CB 3.31Å; N368-T371 PolarHBondContact O-N 3.5Å; N368-T371 VanDerWaalsContact O-N 3.09Å; N368-T371 PolarHBondContact O-OG1 2.94Å
369	K	98.4	Very high	97.9	Very high	123 Å²	123	32.4 Å²	32.4	54%	0.535	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-11.3	-176.9	-70.6	173.3	175.4	169.7	0	114.8	D322 N323 L325 T371	D322-K369 WeakPolarHBondContact O-CE 3.41Å; D322-K369 PolarHBondContact O-NZ 2.62Å; N323-K369 WeakPolarHBondContact O-CG 3.39Å; N323-K369 PolarHBondContact O-N 2.87Å; L325-K369 HydrophobicContact CB-CG 4.29Å; L325-K369 HydrophobicContact CD1-CG 4.46Å; K369-T371 VanDerWaalsContact C-N 3.3Å
370	Q	97.9	Very high	98	Very high	129 Å²	129	33.5 Å²	33.5	60%	0.603	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-9.8	174.1	-64.8	73	28	0	0	112.2	N323 N368	N323-Q370 PolarHBondContact ND2-NE2 3.46Å; N323-Q370 PolarHBondContact ND2-OE1 3.03Å; N323-Q370 PolarHBondContact OD1-NE2 2.78Å; N323-Q370 VanDerWaalsContact OD1-NE2 3.09Å; N323-Q370 PolarHBondContact OD1-OE1 2.98Å; N368-Q370 PolarHBondContact ND2-OE1 3.01Å; N368-Q370 PolarHBondContact O-N 3.49Å; N368-Q370 PolarHBondContact OD1-N 3.31Å; N368-Q370 PolarHBondContact OD1-OE1 3.07Å
371	T	97.9	Very high	98.1	Very high	23 Å²	23	33.4 Å²	33.4	14%	0.141	16%	0.159	C	C	.	.	S	Bend	trans	-75.6	130.1	177.1	-53.3	0	0	0	0	111.4	H291 M367 N368 K369 V373 A376	H291-T371 PolarHBondContact CE1-OG1 2.83Å; H291-T371 PolarHBondContact ND1-OG1 3.47Å; M367-T371 HydrophobicContact CB-CG2 4.23Å; M367-T371 HydrophobicContact CG-CG2 4.23Å; M367-T371 HydrophobicContact SD-CG2 4.24Å; N368-T371 WeakPolarHBondContact O-CB 3.31Å; N368-T371 PolarHBondContact O-N 3.5Å; N368-T371 VanDerWaalsContact O-N 3.09Å; N368-T371 PolarHBondContact O-OG1 2.94Å; K369-T371 VanDerWaalsContact C-N 3.3Å; T371-V373 PolarHBondContact O-N 3.28Å; T371-A376 HydrophobicContact CG2-CB 4.2Å
372	D	97.4	Very high	98.2	Very high	52 Å²	52	33.5 Å²	33.5	28%	0.278	16%	0.16	S	C	.	.			trans	-72.2	93.4	157.7	-178.6	-13.3	0	0	0	108.8	V374 K375 A376 R459	D372-V374 VanDerWaalsContact C-N 3.28Å; D372-V374 PolarHBondContact O-N 3.26Å; D372-V374 PolarHBondContact OD1-N 3.26Å; D372-K375 HydrophobicContact CB-CB 3.88Å; D372-K375 PolarHBondContact O-N 2.89Å; D372-K375 PolarHBondContact OD1-N 3.05Å; D372-K375 WeakPolarHBondContact OD2-CB 3.44Å; D372-A376 PolarHBondContact O-N 3.43Å; D372-R459 IonicContact OD1-CZ 3.62Å; D372-R459 IonicContact OD1-NH1 3.09Å; D372-R459 PolarHBondContact OD1-NH1 3.07Å; D372-R459 IonicContact OD1-NH2 3.24Å; D372-R459 PolarHBondContact OD1-NH2 3.14Å; D372-R459 IonicContact OD2-CZ 2.73Å; D372-R459 IonicContact OD2-NH1 3.98Å; D372-R459 PolarHBondContact OD2-NH1 3.02Å; D372-R459 IonicContact OD2-NH2 2.98Å; D372-R459 PolarHBondContact OD2-NH2 2.99Å
373	V	97.7	Very high	98.2	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-65	-33.2	-175.4	67.5	0	0	0	0	111.8	L325 L336 M367 T371 K375 A376 I377 L448 F452 E455	L325-V373 HydrophobicContact CD2-CB 3.9Å; L325-V373 HydrophobicContact CD2-CG1 4.24Å; L336-V373 HydrophobicContact CD2-CG2 4.46Å; M367-V373 HydrophobicContact CE-CG2 4.32Å; M367-V373 HydrophobicContact SD-CG2 4.26Å; T371-V373 PolarHBondContact O-N 3.28Å; V373-K375 PolarHBondContact O-N 3.27Å; V373-A376 PolarHBondContact O-N 2.91Å; V373-I377 WeakPolarHBondContact O-CG1 3.44Å; V373-I377 PolarHBondContact O-N 3Å; V373-L448 HydrophobicContact CG1-CD1 4.04Å; V373-L448 HydrophobicContact CG2-CD1 4.02Å; V373-F452 HydrophobicContact CG1-CD1 4Å; V373-F452 HydrophobicContact CG1-CE1 4.4Å; V373-F452 HydrophobicContact CG1-CG 4.2Å; V373-E455 VanDerWaalsContact CG1-OE2 3.29Å; V373-E455 WeakPolarHBondContact CG1-OE2 3.39Å
374	V	97.6	Very high	98.2	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-62.8	-45.3	175.7	-175.4	0	0	0	0	110	D372 I377 A378 M406 F409 V410 L448 L456	D372-V374 VanDerWaalsContact C-N 3.28Å; D372-V374 PolarHBondContact O-N 3.26Å; D372-V374 PolarHBondContact OD1-N 3.26Å; V374-I377 PolarHBondContact O-N 2.86Å; V374-A378 WeakPolarHBondContact O-CB 3.44Å; V374-A378 PolarHBondContact O-N 3.42Å; V374-M406 HydrophobicContact CG1-CE 4.24Å; V374-F409 HydrophobicContact CG1-CB 3.96Å; V374-V410 HydrophobicContact CG1-CG2 3.91Å; V374-L448 HydrophobicContact CG1-CD2 4.49Å; V374-L456 HydrophobicContact CB-CD2 4.37Å; V374-L456 HydrophobicContact CG1-CD2 3.75Å; V374-L456 HydrophobicContact CG2-CD2 3.66Å; V374-L456 HydrophobicContact CG2-CG 4.48Å
375	K	98.1	Very high	98.2	Very high	111 Å²	111	37.2 Å²	37.2	48%	0.483	18%	0.177	S	C	.	.	H	α-helix	trans	-66.6	-37.3	176.4	-173.5	177.3	-178	177.7	0	112.7	D372 V373 A378 R379 V410	D372-K375 HydrophobicContact CB-CB 3.88Å; D372-K375 PolarHBondContact O-N 2.89Å; D372-K375 PolarHBondContact OD1-N 3.05Å; D372-K375 WeakPolarHBondContact OD2-CB 3.44Å; V373-K375 PolarHBondContact O-N 3.27Å; K375-A378 PolarHBondContact O-N 2.95Å; K375-R379 WeakPolarHBondContact O-CB 3.44Å; K375-R379 PolarHBondContact O-N 3.46Å; K375-V410 HydrophobicContact CB-CG1 4.23Å; K375-V410 HydrophobicContact CB-CG2 4.18Å; K375-V410 HydrophobicContact CG-CG1 4.32Å
376	A	98.4	Very high	98.1	Very high	30 Å²	30	41.6 Å²	41.6	25%	0.248	20%	0.195	C	C	.	.	H	α-helix	trans	-60.9	-47.3	175.2	0	0	0	0	0	111.5	M367 T371 D372 V373 R379 L380	M367-A376 HydrophobicContact SD-CB 4.04Å; T371-A376 HydrophobicContact CG2-CB 4.2Å; D372-A376 PolarHBondContact O-N 3.43Å; V373-A376 PolarHBondContact O-N 2.91Å; A376-R379 WeakPolarHBondContact O-CB 3.37Å; A376-R379 PolarHBondContact O-N 3.06Å; A376-L380 PolarHBondContact O-N 3.2Å; A376-L380 VanDerWaalsContact O-N 3.12Å
377	I	98.3	Very high	98.1	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-69.9	-36.6	177.7	-59.2	-53.8	0	0	0	111.9	I328 L336 V373 V374 R379 L380 S381 M406 P444 V445 L448	I328-I377 HydrophobicContact CD1-CD1 4.18Å; L336-I377 HydrophobicContact CD2-CD1 3.52Å; L336-I377 HydrophobicContact CD2-CG1 3.66Å; V373-I377 WeakPolarHBondContact O-CG1 3.44Å; V373-I377 PolarHBondContact O-N 3Å; V374-I377 PolarHBondContact O-N 2.86Å; I377-R379 PolarHBondContact O-N 2.78Å; I377-L380 HydrophobicContact CD1-CD1 3.85Å; I377-L380 CarbonylContact O-C 3.59Å; I377-L380 WeakPolarHBondContact O-CA 3.48Å; I377-L380 WeakPolarHBondContact O-CB 3.47Å; I377-L380 PolarHBondContact O-N 3.06Å; I377-S381 PolarHBondContact O-N 3.3Å; I377-S381 PolarHBondContact O-OG 2.93Å; I377-M406 HydrophobicContact CB-CE 4.22Å; I377-M406 HydrophobicContact CG2-CE 4.03Å; I377-P444 HydrophobicContact CD1-CB 4.32Å; I377-P444 HydrophobicContact CG2-CB 4.16Å; I377-V445 HydrophobicContact CG2-CG2 4.26Å; I377-L448 HydrophobicContact CB-CD2 4.02Å; I377-L448 HydrophobicContact CG1-CB 4.22Å; I377-L448 HydrophobicContact CG1-CD1 4.08Å; I377-L448 HydrophobicContact CG1-CD2 4.32Å; I377-L448 HydrophobicContact CG1-CG 4.44Å; I377-L448 HydrophobicContact CG2-CB 4.25Å; I377-L448 HydrophobicContact CG2-CD2 4.09Å
378	A	98.3	Very high	97.9	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-60.5	-35.2	172	0	0	0	0	0	112.4	V374 K375 S381 T382 M406 W407 V410	V374-A378 WeakPolarHBondContact O-CB 3.44Å; V374-A378 PolarHBondContact O-N 3.42Å; K375-A378 PolarHBondContact O-N 2.95Å; A378-S381 PolarHBondContact O-N 3.5Å; A378-T382 PolarHBondContact O-N 3.36Å; A378-T382 PolarHBondContact O-OG1 2.95Å; A378-M406 HydrophobicContact CB-CB 3.88Å; A378-M406 HydrophobicContact CB-CE 4.16Å; A378-W407 HydrophobicContact CB-CD2 4.42Å; A378-V410 HydrophobicContact CB-CG2 3.54Å
379	R	98.6	Very high	97.9	Very high	140 Å²	140	45.8 Å²	45.8	53%	0.528	22%	0.22	S	C	.	.	H	α-helix	trans	-67.8	-34.5	173.3	-178.5	60.3	-172.5	88.4	-5.5	112.2	K375 A376 I377 T382 F383	K375-R379 WeakPolarHBondContact O-CB 3.44Å; K375-R379 PolarHBondContact O-N 3.46Å; A376-R379 WeakPolarHBondContact O-CB 3.37Å; A376-R379 PolarHBondContact O-N 3.06Å; I377-R379 PolarHBondContact O-N 2.78Å; R379-T382 WeakPolarHBondContact O-CB 3.43Å; R379-T382 PolarHBondContact O-N 2.78Å; R379-F383 PolarHBondContact O-N 3.1Å
380	L	98.3	Very high	97.7	Very high	25 Å²	25	41 Å²	41	13%	0.131	21%	0.205	C	C	.	.	H	α-helix	trans	-67.5	-44.3	171	-65.6	-177.5	0	0	0	111.8	I328 A376 I377 T382 F383 Y384 P444	I328-L380 HydrophobicContact CD1-CD1 3.71Å; A376-L380 PolarHBondContact O-N 3.2Å; A376-L380 VanDerWaalsContact O-N 3.12Å; I377-L380 HydrophobicContact CD1-CD1 3.85Å; I377-L380 CarbonylContact O-C 3.59Å; I377-L380 WeakPolarHBondContact O-CA 3.48Å; I377-L380 WeakPolarHBondContact O-CB 3.47Å; I377-L380 PolarHBondContact O-N 3.06Å; L380-T382 PolarHBondContact O-N 3.23Å; L380-F383 WeakPolarHBondContact O-CA 3.21Å; L380-F383 VanDerWaalsContact O-CB 3.31Å; L380-F383 WeakPolarHBondContact O-CB 3.39Å; L380-F383 PolarHBondContact O-N 3.39Å; L380-Y384 VanDerWaalsContact O-CD2 3.22Å; L380-Y384 WeakPolarHBondContact O-CD2 3.44Å; L380-Y384 PolarHBondContact O-N 3Å; L380-P444 HydrophobicContact CD1-CB 4.29Å
381	S	98	Very high	97.7	Very high	5 Å²	5	38.2 Å²	38.2	4%	0.035	19%	0.192	C	C	.	.	H	α-helix	trans	-59.6	-34.9	173.8	-56.6	0	0	0	0	112	I377 A378 Y384 E385	I377-S381 PolarHBondContact O-N 3.3Å; I377-S381 PolarHBondContact O-OG 2.93Å; A378-S381 PolarHBondContact O-N 3.5Å; S381-Y384 PolarHBondContact O-N 2.75Å; S381-E385 WeakPolarHBondContact O-CB 3.13Å; S381-E385 PolarHBondContact O-N 2.99Å
382	T	98.5	Very high	97.6	Very high	14 Å²	14	38.1 Å²	38.1	9%	0.086	19%	0.192	C	C	.	.	H	α-helix	trans	-65.5	-41	172.2	-55.7	0	0	0	0	111.7	A378 R379 L380 E385 H386 K403 W407	A378-T382 PolarHBondContact O-N 3.36Å; A378-T382 PolarHBondContact O-OG1 2.95Å; R379-T382 WeakPolarHBondContact O-CB 3.43Å; R379-T382 PolarHBondContact O-N 2.78Å; L380-T382 PolarHBondContact O-N 3.23Å; T382-E385 PolarHBondContact O-N 3.47Å; T382-H386 PolarHBondContact O-CD2 3.25Å; T382-H386 PolarHBondContact O-N 2.83Å; T382-K403 HydrophobicContact CG2-CD 4.47Å; T382-W407 PolarHBondContact OG1-NE1 3.01Å
383	F	98.4	Very high	97.6	Very high	28 Å²	28	39.4 Å²	39.4	12%	0.123	20%	0.202	C	C	.	.	H	α-helix	trans	-59.1	-50.6	173.5	166.4	-94.9	0	0	0	111.5	P132 Y214 R379 L380 E385 H386 E387	P132-F383 VanDerWaalsContact CD-CZ 3.41Å; P132-F383 HydrophobicContact CG-CD1 3.83Å; P132-F383 HydrophobicContact CG-CD2 4.06Å; P132-F383 HydrophobicContact CG-CE1 3.57Å; P132-F383 HydrophobicContact CG-CE2 3.79Å; P132-F383 HydrophobicContact CG-CG 4.08Å; P132-F383 HydrophobicContact CG-CZ 3.55Å; Y214-F383 HydrophobicContact CD1-CE1 4.21Å; Y214-F383 HydrophobicContact CD1-CZ 4.21Å; Y214-F383 HydrophobicContact CD2-CE1 4.49Å; Y214-F383 HydrophobicContact CD2-CZ 4.05Å; Y214-F383 HydrophobicContact CE1-CE1 4.43Å; Y214-F383 HydrophobicContact CG-CE1 4.22Å; Y214-F383 AromaticContact CG-CZ 3.79Å; Y214-F383 HydrophobicContact CG-CZ 3.79Å; R379-F383 PolarHBondContact O-N 3.1Å; L380-F383 WeakPolarHBondContact O-CA 3.21Å; L380-F383 VanDerWaalsContact O-CB 3.31Å; L380-F383 WeakPolarHBondContact O-CB 3.39Å; L380-F383 PolarHBondContact O-N 3.39Å; F383-E385 VanDerWaalsContact C-N 3.28Å; F383-E385 PolarHBondContact O-N 3.25Å; F383-H386 PolarHBondContact O-N 3.3Å; F383-H386 VanDerWaalsContact O-N 3.07Å; F383-E387 HydrophobicContact CD2-CG 3.77Å; F383-E387 HydrophobicContact CE1-CG 4.26Å; F383-E387 HydrophobicContact CE2-CG 3.46Å; F383-E387 VanDerWaalsContact CE2-CG 3.46Å; F383-E387 HydrophobicContact CG-CG 4.32Å; F383-E387 HydrophobicContact CZ-CB 4.36Å; F383-E387 HydrophobicContact CZ-CG 3.72Å; F383-E387 WeakPolarHBondContact O-CB 3.45Å; F383-E387 WeakPolarHBondContact O-CG 3.5Å; F383-E387 PolarHBondContact O-N 2.83Å
384	Y	98.1	Very high	97.6	Very high	1 Å²	1	41.5 Å²	41.5	0%	0.004	22%	0.216	C	C	.	.	H	α-helix	trans	-65.1	-30.1	-179.3	-74.9	-67.6	0	0	0	113.9	Y214 S332 S333 L380 S381 T388 L437 A440 A441 P444	Y214-Y384 HydrophobicContact CE1-CD1 4.3Å; Y214-Y384 AromaticContact CE1-CE1 3.85Å; Y214-Y384 HydrophobicContact CE1-CE1 3.85Å; S332-Y384 VanDerWaalsContact C-OH 3.22Å; S332-Y384 PolarHBondContact OG-OH 3.18Å; S333-Y384 WeakPolarHBondContact CA-OH 3.09Å; S333-Y384 PolarHBondContact N-OH 3.27Å; L380-Y384 VanDerWaalsContact O-CD2 3.22Å; L380-Y384 WeakPolarHBondContact O-CD2 3.44Å; L380-Y384 PolarHBondContact O-N 3Å; S381-Y384 PolarHBondContact O-N 2.75Å; Y384-T388 WeakPolarHBondContact O-CB 3.46Å; Y384-T388 PolarHBondContact O-N 3.22Å; Y384-T388 VanDerWaalsContact O-N 3.14Å; Y384-L437 HydrophobicContact CD1-CD2 4.37Å; Y384-L437 HydrophobicContact CD1-CG 4.28Å; Y384-A440 HydrophobicContact CD1-CB 4.34Å; Y384-A440 HydrophobicContact CE1-CB 3.5Å; Y384-A440 WeakPolarHBondContact CE2-O 3.33Å; Y384-A440 VanDerWaalsContact CZ-O 3.23Å; Y384-A441 HydrophobicContact CD1-CB 4.17Å; Y384-A441 HydrophobicContact CD2-CB 4.18Å; Y384-A441 HydrophobicContact CG-CB 3.72Å; Y384-P444 HydrophobicContact CE2-CG 4.38Å
385	E	97.6	Very high	97.5	Very high	48 Å²	48	41.8 Å²	41.8	22%	0.224	22%	0.218	C	C	.	.	H	α-helix	trans	-70.5	-36.3	171.4	179.7	-94.8	174.9	0	0	113	S381 T382 F383 T388 C399 P400 K403	S381-E385 WeakPolarHBondContact O-CB 3.13Å; S381-E385 PolarHBondContact O-N 2.99Å; T382-E385 PolarHBondContact O-N 3.47Å; F383-E385 VanDerWaalsContact C-N 3.28Å; F383-E385 PolarHBondContact O-N 3.25Å; E385-T388 VanDerWaalsContact O-CG2 3.28Å; E385-T388 WeakPolarHBondContact O-CG2 3.38Å; E385-C399 HydrophobicContact CB-CB 4.17Å; E385-P400 HydrophobicContact CG-CB 4.18Å; E385-P400 HydrophobicContact CG-CG 3.81Å; E385-K403 HydrophobicContact CB-CB 4.43Å; E385-K403 HydrophobicContact CB-CD 4.03Å; E385-K403 HydrophobicContact CG-CD 3.94Å; E385-K403 IonicContact OE1-NZ 3.45Å; E385-K403 WeakPolarHBondContact OE2-CD 3.28Å; E385-K403 IonicContact OE2-NZ 3.43Å; E385-K403 PolarHBondContact OE2-NZ 3.2Å
386	H	97.6	Very high	97.5	Very high	123 Å²	123	40.5 Å²	40.5	57%	0.569	21%	0.21	S	C	*	.	H	α-helix	trans	-70.9	-36	173.7	-79.2	-63.6	0	0	0	112.6	T382 F383	T382-H386 PolarHBondContact O-CD2 3.25Å; T382-H386 PolarHBondContact O-N 2.83Å; F383-H386 PolarHBondContact O-N 3.3Å; F383-H386 VanDerWaalsContact O-N 3.07Å
387	E	97.2	Very high	97.5	Very high	46 Å²	46	44.2 Å²	44.2	22%	0.215	22%	0.222	C	C	.	.	S	Bend	trans	-96.2	4.1	-171.4	-67.2	-56.6	144.9	0	0	114.4	Y214 I215 F383 L437	Y214-E387 WeakPolarHBondContact CB-OE2 2.98Å; Y214-E387 HydrophobicContact CD1-CB 4Å; Y214-E387 HydrophobicContact CG-CB 4.36Å; Y214-E387 PolarHBondContact N-OE2 2.95Å; I215-E387 WeakPolarHBondContact CB-O 3.39Å; F383-E387 HydrophobicContact CD2-CG 3.77Å; F383-E387 HydrophobicContact CE1-CG 4.26Å; F383-E387 HydrophobicContact CE2-CG 3.46Å; F383-E387 VanDerWaalsContact CE2-CG 3.46Å; F383-E387 HydrophobicContact CG-CG 4.32Å; F383-E387 HydrophobicContact CZ-CB 4.36Å; F383-E387 HydrophobicContact CZ-CG 3.72Å; F383-E387 WeakPolarHBondContact O-CB 3.45Å; F383-E387 WeakPolarHBondContact O-CG 3.5Å; F383-E387 PolarHBondContact O-N 2.83Å; E387-L437 WeakPolarHBondContact O-CD1 3.41Å
388	T	96.1	Very high	97.4	Very high	27 Å²	27	44.4 Å²	44.4	17%	0.166	22%	0.224	C	C	.	.			trans	-77.7	135.6	171.3	178.4	0	0	0	0	111.2	Y384 E385 G390 C395 C399	Y384-T388 WeakPolarHBondContact O-CB 3.46Å; Y384-T388 PolarHBondContact O-N 3.22Å; Y384-T388 VanDerWaalsContact O-N 3.14Å; E385-T388 VanDerWaalsContact O-CG2 3.28Å; E385-T388 WeakPolarHBondContact O-CG2 3.38Å; T388-G390 PolarHBondContact O-N 3.42Å; T388-G390 PolarHBondContact OG1-N 2.9Å; T388-C395 PolarHBondContact OG1-SG 3.42Å; T388-C399 HydrophobicContact CG2-CB 4.39Å
389	C	96.7	Very high	97.4	Very high	35 Å²	35	44.4 Å²	44.4	24%	0.236	22%	0.224	C	C	.	.			trans	-74.2	-6.7	175.8	67.2	0	0	0	0	114.2	I215 K232 Q391	I215-C389 HydrophobicContact CB-CB 4.49Å; I215-C389 HydrophobicContact CG1-CB 3.9Å; I215-C389 HydrophobicContact CG2-CB 4.01Å; K232-C389 WeakPolarHBondContact CE-O 3.38Å; K232-C389 HydrophobicContact CG-CB 3.93Å; C389-Q391 VanDerWaalsContact C-N 3.28Å; C389-Q391 PolarHBondContact O-N 2.95Å
390	G	95.8	Very high	97.3	Very high	23 Å²	23	39.4 Å²	39.4	24%	0.237	21%	0.21	C	C	.	.			trans	69.8	13.2	178.6	0	0	0	0	0	115.9	T388 R396	T388-G390 PolarHBondContact O-N 3.42Å; T388-G390 PolarHBondContact OG1-N 2.9Å; G390-R396 VanDerWaalsContact O-CD 3.27Å; G390-R396 WeakPolarHBondContact O-CD 3.29Å; G390-R396 PolarHBondContact O-NH1 3.29Å
391	Q	97.2	Very high	97.3	Very high	71 Å²	71	44 Å²	44	33%	0.332	23%	0.225	S	C	.	.			trans	-70.2	-57.5	-175.8	-174.4	-176.2	4.2	0	0	113.4	K232 P233 C389 R396 I434	K232-Q391 HydrophobicContact CD-CB 4.35Å; K232-Q391 HydrophobicContact CG-CB 4.31Å; P233-Q391 PolarHBondContact O-NE2 3.15Å; P233-Q391 PolarHBondContact O-OE1 3.44Å; C389-Q391 VanDerWaalsContact C-N 3.28Å; C389-Q391 PolarHBondContact O-N 2.95Å; Q391-R396 PolarHBondContact O-NH1 2.87Å; Q391-I434 HydrophobicContact CG-CD1 3.81Å
392	C	96.8	Very high	97.2	Very high	20 Å²	20	43.8 Å²	43.8	14%	0.135	22%	0.224	C	C	.	.	S	Bend	trans	-91.4	135.6	-177.4	58.9	0	0	0	0	111.7	C395 R396 I434	C392-C395 PolarHBondContact O-N 3.4Å; C392-C395 WeakPolarHBondContact SG-CB 3.4Å; C392-R396 WeakPolarHBondContact O-CB 3.41Å; C392-R396 PolarHBondContact O-N 3.36Å; C392-I434 HydrophobicContact CB-CD1 3.84Å; C392-I434 HydrophobicContact CB-CG1 3.87Å
393	T	97	Very high	97.1	Very high	79 Å²	79	45.4 Å²	45.4	49%	0.485	23%	0.23	S	C	.	.	H	α-helix	trans	-55.1	-46.2	-174.4	-57.1	0	0	0	0	113.9	C395 R396 E397	T393-C395 VanDerWaalsContact C-N 3.27Å; T393-C395 PolarHBondContact O-N 3.33Å; T393-R396 PolarHBondContact O-N 2.87Å; T393-R396 PolarHBondContact OG1-NH2 3.5Å; T393-E397 HydrophobicContact CG2-CG 3.96Å; T393-E397 PolarHBondContact O-N 3.27Å
394	P	96.4	Very high	97.1	Very high	45 Å²	45	51.1 Å²	51.1	29%	0.292	26%	0.255	S	S	.	.	H	α-helix	trans	-63.9	-33.4	-177	-24.6	37.8	0	0	0	112.8	G398 H432 T433	P394-G398 WeakPolarHBondContact O-CA 3.48Å; P394-G398 PolarHBondContact O-N 3.39Å; P394-H432 HydrophobicContact CG-CB 4.27Å; P394-H432 WeakPolarHBondContact CG-O 3.28Å; P394-T433 HydrophobicContact CB-CG2 3.78Å; P394-T433 HydrophobicContact CG-CG2 4.38Å
395	C	96.8	Very high	97	Very high	5 Å²	5	51.2 Å²	51.2	3%	0.034	26%	0.255	C	S	.	.	H	α-helix	trans	-76.4	-47.8	173.6	-170.3	0	0	0	0	112.2	T388 C392 T393 E397 C399 T433 L437 A438	T388-C395 PolarHBondContact OG1-SG 3.42Å; C392-C395 PolarHBondContact O-N 3.4Å; C392-C395 WeakPolarHBondContact SG-CB 3.4Å; T393-C395 VanDerWaalsContact C-N 3.27Å; T393-C395 PolarHBondContact O-N 3.33Å; C395-E397 VanDerWaalsContact C-N 3.35Å; C395-E397 PolarHBondContact O-N 2.92Å; C395-C399 WeakPolarHBondContact O-CB 3.38Å; C395-C399 PolarHBondContact O-N 2.95Å; C395-C399 PolarHBondContact O-SG 2.94Å; C395-T433 HydrophobicContact CB-CG2 3.96Å; C395-L437 WeakPolarHBondContact SG-CD2 3.41Å; C395-A438 HydrophobicContact CB-CB 4.03Å
396	R	97.5	Very high	97	Very high	85 Å²	85	49 Å²	49	32%	0.321	25%	0.245	S	C	.	.	H	α-helix	trans	-58.5	-44.4	-176.3	-178.5	-174.4	57.7	-107.4	-1.8	112.1	G390 Q391 C392 T393 P400	G390-R396 VanDerWaalsContact O-CD 3.27Å; G390-R396 WeakPolarHBondContact O-CD 3.29Å; G390-R396 PolarHBondContact O-NH1 3.29Å; Q391-R396 PolarHBondContact O-NH1 2.87Å; C392-R396 WeakPolarHBondContact O-CB 3.41Å; C392-R396 PolarHBondContact O-N 3.36Å; T393-R396 PolarHBondContact O-N 2.87Å; T393-R396 PolarHBondContact OG1-NH2 3.5Å; R396-P400 WeakPolarHBondContact O-CD 3.21Å; R396-P400 WeakPolarHBondContact O-CG 3.48Å
397	E	97.5	Very high	96.9	Very high	107 Å²	107	47.1 Å²	47.1	50%	0.5	23%	0.233	S	C	.	.	H	α-helix	trans	-91.5	-35.5	-179	-53.6	-55.7	151.2	0	0	111.6	T393 C395 P400 W401	T393-E397 HydrophobicContact CG2-CG 3.96Å; T393-E397 PolarHBondContact O-N 3.27Å; C395-E397 VanDerWaalsContact C-N 3.35Å; C395-E397 PolarHBondContact O-N 2.92Å; E397-P400 WeakPolarHBondContact O-CD 3.43Å; E397-W401 WeakPolarHBondContact O-CB 3.46Å; E397-W401 PolarHBondContact O-N 3.05Å; E397-W401 VanDerWaalsContact O-N 3.16Å
398	G	97.1	Very high	96.8	Very high	5 Å²	5	49.3 Å²	49.3	5%	0.052	24%	0.239	C	C	.	.	H	α-helix	trans	-69	-39.7	-176.8	0	0	0	0	0	113.6	P394 W401 L402 M429	P394-G398 WeakPolarHBondContact O-CA 3.48Å; P394-G398 PolarHBondContact O-N 3.39Å; G398-W401 PolarHBondContact O-N 3.05Å; G398-L402 WeakPolarHBondContact O-CB 3.46Å; G398-L402 WeakPolarHBondContact O-CG 3.41Å; G398-L402 PolarHBondContact O-N 3.25Å; G398-M429 VanDerWaalsContact C-SD 3.6Å
399	C	97.5	Very high	96.8	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.007	23%	0.232	C	C	.	.	H	α-helix	trans	-64	-48.7	178.9	-62.5	0	0	0	0	112.4	E385 T388 C395 W401 L402 K403 M429	E385-C399 HydrophobicContact CB-CB 4.17Å; T388-C399 HydrophobicContact CG2-CB 4.39Å; C395-C399 WeakPolarHBondContact O-CB 3.38Å; C395-C399 PolarHBondContact O-N 2.95Å; C395-C399 PolarHBondContact O-SG 2.94Å; C399-W401 VanDerWaalsContact C-N 3.27Å; C399-W401 PolarHBondContact O-N 2.84Å; C399-L402 PolarHBondContact O-N 3.34Å; C399-K403 WeakPolarHBondContact O-CB 3.4Å; C399-K403 PolarHBondContact O-N 2.68Å; C399-M429 VanDerWaalsContact SG-CE 3.57Å
400	P	97.7	Very high	96.7	Very high	35 Å²	35	47.4 Å²	47.4	23%	0.227	23%	0.226	C	C	.	.	H	α-helix	trans	-57.1	-37.2	170.5	-25.5	33.5	0	0	0	114.1	E385 R396 E397 K404	E385-P400 HydrophobicContact CG-CB 4.18Å; E385-P400 HydrophobicContact CG-CG 3.81Å; R396-P400 WeakPolarHBondContact O-CD 3.21Å; R396-P400 WeakPolarHBondContact O-CG 3.48Å; E397-P400 WeakPolarHBondContact O-CD 3.43Å; P400-K404 WeakPolarHBondContact O-CG 3.29Å; P400-K404 PolarHBondContact O-N 3.15Å
401	W	97.3	Very high	96.5	Very high	120 Å²	120	50.5 Å²	50.5	46%	0.455	24%	0.235	S	C	.	.	H	α-helix	trans	-70.1	-46.7	178.6	-167.5	5.7	0	0	0	112	E397 G398 C399 K403 K404 I405 M421 L425	E397-W401 WeakPolarHBondContact O-CB 3.46Å; E397-W401 PolarHBondContact O-N 3.05Å; E397-W401 VanDerWaalsContact O-N 3.16Å; G398-W401 PolarHBondContact O-N 3.05Å; C399-W401 VanDerWaalsContact C-N 3.27Å; C399-W401 PolarHBondContact O-N 2.84Å; W401-K403 VanDerWaalsContact C-N 3.32Å; W401-K403 PolarHBondContact O-N 3.34Å; W401-K404 PolarHBondContact O-N 2.79Å; W401-K404 VanDerWaalsContact O-N 3.14Å; W401-I405 HydrophobicContact CG-CD1 4.3Å; W401-I405 WeakPolarHBondContact O-CG1 3.32Å; W401-I405 PolarHBondContact O-N 3.05Å; W401-M421 HydrophobicContact CZ2-SD 4.17Å; W401-L425 HydrophobicContact CB-CD2 3.96Å; W401-L425 HydrophobicContact CD2-CD1 4.2Å; W401-L425 HydrophobicContact CD2-CD2 3.63Å; W401-L425 HydrophobicContact CE3-CD1 3.5Å; W401-L425 VanDerWaalsContact CE3-CD1 3.5Å; W401-L425 HydrophobicContact CE3-CD2 3.84Å; W401-L425 HydrophobicContact CE3-CG 4.3Å; W401-L425 HydrophobicContact CG-CD2 3.7Å; W401-L425 HydrophobicContact CZ3-CD1 3.78Å
402	L	96.3	Very high	96	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.01	22%	0.22	C	C	.	.	H	α-helix	trans	-54.1	-48.5	172.5	-78.3	179.7	0	0	0	111.1	G398 C399 K404 I405 M406 I422 L425 M429 V445	G398-L402 WeakPolarHBondContact O-CB 3.46Å; G398-L402 WeakPolarHBondContact O-CG 3.41Å; G398-L402 PolarHBondContact O-N 3.25Å; C399-L402 PolarHBondContact O-N 3.34Å; L402-K404 PolarHBondContact O-N 3.32Å; L402-I405 PolarHBondContact O-N 3.18Å; L402-M406 WeakPolarHBondContact O-CB 3.4Å; L402-M406 VanDerWaalsContact O-CG 3.29Å; L402-M406 WeakPolarHBondContact O-CG 3.35Å; L402-M406 PolarHBondContact O-N 3.42Å; L402-I422 HydrophobicContact CD2-CD1 4.2Å; L402-I422 HydrophobicContact CD2-CG1 3.64Å; L402-L425 HydrophobicContact CD2-CD2 3.78Å; L402-L425 HydrophobicContact CD2-CG 4.06Å; L402-L425 HydrophobicContact CG-CD2 3.98Å; L402-L425 HydrophobicContact CG-CG 4.31Å; L402-M429 HydrophobicContact CD1-CE 3.77Å; L402-M429 HydrophobicContact CD1-SD 3.36Å; L402-M429 WeakPolarHBondContact CD1-SD 3.49Å; L402-M429 HydrophobicContact CG-SD 3.8Å; L402-V445 HydrophobicContact CD2-CG1 4.42Å
403	K	97.4	Very high	95.7	Very high	48 Å²	48	50.7 Å²	50.7	21%	0.209	23%	0.231	C	C	.	.	H	α-helix	trans	-54.5	-49.6	175.8	172.7	-172.4	175.3	179.8	0	111.5	T382 E385 C399 W401 I405 M406 W407	T382-K403 HydrophobicContact CG2-CD 4.47Å; E385-K403 HydrophobicContact CB-CB 4.43Å; E385-K403 HydrophobicContact CB-CD 4.03Å; E385-K403 HydrophobicContact CG-CD 3.94Å; E385-K403 IonicContact OE1-NZ 3.45Å; E385-K403 WeakPolarHBondContact OE2-CD 3.28Å; E385-K403 IonicContact OE2-NZ 3.43Å; E385-K403 PolarHBondContact OE2-NZ 3.2Å; C399-K403 WeakPolarHBondContact O-CB 3.4Å; C399-K403 PolarHBondContact O-N 2.68Å; W401-K403 VanDerWaalsContact C-N 3.32Å; W401-K403 PolarHBondContact O-N 3.34Å; K403-I405 PolarHBondContact O-N 3.35Å; K403-M406 PolarHBondContact O-N 3.36Å; K403-W407 VanDerWaalsContact O-CD1 3.22Å; K403-W407 PolarHBondContact O-N 2.95Å
404	K	97	Very high	95.4	Very high	148 Å²	148	47.3 Å²	47.3	64%	0.643	21%	0.211	S	C	*	.	H	α-helix	trans	-59.9	-46.7	-179.7	-75.3	173.6	-177.3	178	0	111.9	P400 W401 L402 W407 R408	P400-K404 WeakPolarHBondContact O-CG 3.29Å; P400-K404 PolarHBondContact O-N 3.15Å; W401-K404 PolarHBondContact O-N 2.79Å; W401-K404 VanDerWaalsContact O-N 3.14Å; L402-K404 PolarHBondContact O-N 3.32Å; K404-W407 PolarHBondContact O-N 2.84Å; K404-R408 WeakPolarHBondContact O-CG 3.27Å; K404-R408 PolarHBondContact O-N 2.91Å; K404-R408 VanDerWaalsContact O-N 3.14Å
405	I	96.3	Very high	95.1	Very high	3 Å²	3	48.3 Å²	48.3	2%	0.015	22%	0.216	C	C	.	.	H	α-helix	trans	-65.6	-43.6	178.7	-55.7	160.6	0	0	0	110.2	W401 L402 K403 W407 R408 F409 E418 M421 I422 L425	W401-I405 HydrophobicContact CG-CD1 4.3Å; W401-I405 WeakPolarHBondContact O-CG1 3.32Å; W401-I405 PolarHBondContact O-N 3.05Å; L402-I405 PolarHBondContact O-N 3.18Å; K403-I405 PolarHBondContact O-N 3.35Å; I405-W407 VanDerWaalsContact C-N 3.35Å; I405-W407 PolarHBondContact O-N 3.39Å; I405-R408 WeakPolarHBondContact O-CA 3.2Å; I405-R408 WeakPolarHBondContact O-CB 3.5Å; I405-R408 PolarHBondContact O-N 3.21Å; I405-F409 HydrophobicContact CG2-CD2 3.89Å; I405-F409 HydrophobicContact CG2-CE2 3.46Å; I405-F409 VanDerWaalsContact CG2-CE2 3.46Å; I405-F409 HydrophobicContact CG2-CZ 4.22Å; I405-F409 WeakPolarHBondContact O-CD2 3.42Å; I405-F409 PolarHBondContact O-N 3.06Å; I405-E418 HydrophobicContact CG2-CB 4.44Å; I405-M421 HydrophobicContact CD1-CE 3.63Å; I405-M421 HydrophobicContact CG1-CE 3.99Å; I405-I422 HydrophobicContact CB-CD1 4.05Å; I405-I422 HydrophobicContact CB-CG1 4.48Å; I405-I422 HydrophobicContact CD1-CB 4.42Å; I405-I422 HydrophobicContact CD1-CG1 4.21Å; I405-I422 HydrophobicContact CG2-CB 4.23Å; I405-I422 HydrophobicContact CG2-CD1 3.84Å; I405-I422 HydrophobicContact CG2-CG1 4.26Å; I405-L425 HydrophobicContact CD1-CD2 3.81Å
406	M	97.3	Very high	94.8	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.005	24%	0.239	C	C	.	.	H	α-helix	trans	-58.4	-43.3	178.1	-78.7	-54.1	-52	0	0	112.8	V374 I377 A378 L402 K403 R408 F409 V410 I422 V445 L448	V374-M406 HydrophobicContact CG1-CE 4.24Å; I377-M406 HydrophobicContact CB-CE 4.22Å; I377-M406 HydrophobicContact CG2-CE 4.03Å; A378-M406 HydrophobicContact CB-CB 3.88Å; A378-M406 HydrophobicContact CB-CE 4.16Å; L402-M406 WeakPolarHBondContact O-CB 3.4Å; L402-M406 VanDerWaalsContact O-CG 3.29Å; L402-M406 WeakPolarHBondContact O-CG 3.35Å; L402-M406 PolarHBondContact O-N 3.42Å; K403-M406 PolarHBondContact O-N 3.36Å; M406-R408 VanDerWaalsContact C-N 3.33Å; M406-R408 PolarHBondContact O-N 2.89Å; M406-F409 WeakPolarHBondContact O-CB 3.41Å; M406-F409 PolarHBondContact O-N 3.47Å; M406-F409 HydrophobicContact SD-CD2 4.3Å; M406-V410 WeakPolarHBondContact O-CG2 3.46Å; M406-V410 PolarHBondContact O-N 2.82Å; M406-I422 HydrophobicContact CG-CD1 3.99Å; M406-I422 HydrophobicContact SD-CD1 3.63Å; M406-V445 HydrophobicContact CG-CG2 4.09Å; M406-V445 HydrophobicContact SD-CG1 4.04Å; M406-V445 HydrophobicContact SD-CG2 4.09Å; M406-L448 HydrophobicContact CE-CD2 3.49Å; M406-L448 VanDerWaalsContact CE-CD2 3.49Å; M406-L448 HydrophobicContact SD-CD2 4.28Å
407	W	96.7	Very high	94.5	Very high	83 Å²	83	54.1 Å²	54.1	31%	0.314	25%	0.253	S	S	.	.	H	α-helix	trans	-66.8	-33.3	175.2	-80.1	106.6	0	0	0	112.8	A378 T382 K403 K404 I405 F409 V410 E411	A378-W407 HydrophobicContact CB-CD2 4.42Å; T382-W407 PolarHBondContact OG1-NE1 3.01Å; K403-W407 VanDerWaalsContact O-CD1 3.22Å; K403-W407 PolarHBondContact O-N 2.95Å; K404-W407 PolarHBondContact O-N 2.84Å; I405-W407 VanDerWaalsContact C-N 3.35Å; I405-W407 PolarHBondContact O-N 3.39Å; W407-F409 VanDerWaalsContact C-N 3.34Å; W407-F409 PolarHBondContact O-N 3.4Å; W407-V410 HydrophobicContact CE3-CB 4.11Å; W407-V410 HydrophobicContact CE3-CG1 4.14Å; W407-V410 HydrophobicContact CE3-CG2 4.28Å; W407-V410 HydrophobicContact CZ3-CG1 4.13Å; W407-V410 WeakPolarHBondContact O-CB 3.13Å; W407-V410 PolarHBondContact O-N 3.07Å; W407-E411 WeakPolarHBondContact O-CB 3.5Å; W407-E411 WeakPolarHBondContact O-CG 3.47Å; W407-E411 PolarHBondContact O-N 3.34Å
408	R	95.2	Very high	94.4	Very high	92 Å²	92	49.9 Å²	49.9	35%	0.347	23%	0.234	S	C	.	.	H	α-helix	trans	-65.6	-34.8	170.9	-69.9	177.9	63.4	-162.4	-9.4	112.8	K404 I405 M406 E411 G412 Y413 A414 E418	K404-R408 WeakPolarHBondContact O-CG 3.27Å; K404-R408 PolarHBondContact O-N 2.91Å; K404-R408 VanDerWaalsContact O-N 3.14Å; I405-R408 WeakPolarHBondContact O-CA 3.2Å; I405-R408 WeakPolarHBondContact O-CB 3.5Å; I405-R408 PolarHBondContact O-N 3.21Å; M406-R408 VanDerWaalsContact C-N 3.33Å; M406-R408 PolarHBondContact O-N 2.89Å; R408-E411 CarbonylContact O-C 3.58Å; R408-E411 PolarHBondContact O-N 3.16Å; R408-G412 CarbonylContact O-C 3.59Å; R408-G412 WeakPolarHBondContact O-CA 3.08Å; R408-G412 PolarHBondContact O-N 3.43Å; R408-Y413 PolarHBondContact NH2-O 2.92Å; R408-Y413 PolarHBondContact O-N 3.4Å; R408-A414 HydrophobicContact CB-CB 4.48Å; R408-A414 PolarHBondContact O-N 3.19Å; R408-E418 IonicContact CZ-OE1 2.75Å; R408-E418 IonicContact CZ-OE2 3.82Å; R408-E418 VanDerWaalsContact CZ-OE2 3.29Å; R408-E418 IonicContact NE-OE2 2.98Å; R408-E418 IonicContact NH1-OE1 2.69Å; R408-E418 PolarHBondContact NH1-OE1 3.48Å; R408-E418 IonicContact NH1-OE2 2.69Å; R408-E418 PolarHBondContact NH1-OE2 2.97Å; R408-E418 VanDerWaalsContact NH2-CD 3.33Å; R408-E418 IonicContact NH2-OE1 3.98Å; R408-E418 PolarHBondContact NH2-OE1 3.18Å; R408-E418 IonicContact NH2-OE2 3.45Å; R408-E418 PolarHBondContact NH2-OE2 3.2Å
409	F	95	Very high	94.2	Very high	2 Å²	2	49.7 Å²	49.7	1%	0.009	23%	0.231	C	C	.	.	H	α-helix	trans	-65.4	-41.6	169.7	-75.8	-58.8	0	0	0	111.8	V374 I405 M406 W407 E411 G412 A414 E418 L419 I422 L456 R459 M460	V374-F409 HydrophobicContact CG1-CB 3.96Å; I405-F409 HydrophobicContact CG2-CD2 3.89Å; I405-F409 HydrophobicContact CG2-CE2 3.46Å; I405-F409 VanDerWaalsContact CG2-CE2 3.46Å; I405-F409 HydrophobicContact CG2-CZ 4.22Å; I405-F409 WeakPolarHBondContact O-CD2 3.42Å; I405-F409 PolarHBondContact O-N 3.06Å; M406-F409 WeakPolarHBondContact O-CB 3.41Å; M406-F409 PolarHBondContact O-N 3.47Å; M406-F409 HydrophobicContact SD-CD2 4.3Å; W407-F409 VanDerWaalsContact C-N 3.34Å; W407-F409 PolarHBondContact O-N 3.4Å; F409-E411 VanDerWaalsContact C-N 3.3Å; F409-E411 PolarHBondContact O-N 3.01Å; F409-G412 PolarHBondContact O-N 3.16Å; F409-G412 VanDerWaalsContact O-N 3.16Å; F409-A414 HydrophobicContact CD1-CB 3.3Å; F409-A414 HydrophobicContact CE1-CB 3.29Å; F409-A414 HydrophobicContact CG-CB 3.99Å; F409-A414 HydrophobicContact CZ-CB 4Å; F409-E418 HydrophobicContact CZ-CB 4.05Å; F409-L419 HydrophobicContact CE1-CD2 3.68Å; F409-L419 HydrophobicContact CE1-CG 3.99Å; F409-L419 HydrophobicContact CE2-CD2 4.49Å; F409-L419 HydrophobicContact CZ-CD2 3.64Å; F409-L419 HydrophobicContact CZ-CG 4.02Å; F409-I422 HydrophobicContact CD2-CD1 4.27Å; F409-I422 HydrophobicContact CE2-CB 4.33Å; F409-I422 HydrophobicContact CE2-CD1 3.88Å; F409-I422 HydrophobicContact CE2-CG2 4Å; F409-I422 HydrophobicContact CZ-CG2 4.42Å; F409-L456 HydrophobicContact CB-CD2 4Å; F409-L456 HydrophobicContact CD1-CD2 4.13Å; F409-L456 HydrophobicContact CG-CD2 4.04Å; F409-R459 WeakPolarHBondContact O-CD 3.34Å; F409-M460 HydrophobicContact CD1-SD 4.23Å; F409-M460 HydrophobicContact CE1-CE 4.35Å; F409-M460 HydrophobicContact CE1-SD 3.81Å
410	V	94.2	Very high	93.9	Very high	20 Å²	20	53.4 Å²	53.4	12%	0.121	25%	0.251	C	S	.	.	H	α-helix	trans	-58.4	-45.3	175.4	174.6	0	0	0	0	111	V374 K375 A378 M406 W407 G412 R459	V374-V410 HydrophobicContact CG1-CG2 3.91Å; K375-V410 HydrophobicContact CB-CG1 4.23Å; K375-V410 HydrophobicContact CB-CG2 4.18Å; K375-V410 HydrophobicContact CG-CG1 4.32Å; A378-V410 HydrophobicContact CB-CG2 3.54Å; M406-V410 WeakPolarHBondContact O-CG2 3.46Å; M406-V410 PolarHBondContact O-N 2.82Å; W407-V410 HydrophobicContact CE3-CB 4.11Å; W407-V410 HydrophobicContact CE3-CG1 4.14Å; W407-V410 HydrophobicContact CE3-CG2 4.28Å; W407-V410 HydrophobicContact CZ3-CG1 4.13Å; W407-V410 WeakPolarHBondContact O-CB 3.13Å; W407-V410 PolarHBondContact O-N 3.07Å; V410-G412 VanDerWaalsContact C-N 3.31Å; V410-R459 PolarHBondContact O-NH1 2.88Å
411	E	91.3	Very high	93.8	Very high	89 Å²	89	54.6 Å²	54.6	42%	0.416	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-7.6	179.1	-66	173.7	178.3	0	0	114	W407 R408 F409 Y413 I463	W407-E411 WeakPolarHBondContact O-CB 3.5Å; W407-E411 WeakPolarHBondContact O-CG 3.47Å; W407-E411 PolarHBondContact O-N 3.34Å; R408-E411 CarbonylContact O-C 3.58Å; R408-E411 PolarHBondContact O-N 3.16Å; F409-E411 VanDerWaalsContact C-N 3.3Å; F409-E411 PolarHBondContact O-N 3.01Å; E411-Y413 VanDerWaalsContact C-N 3.31Å; E411-Y413 HydrophobicContact CB-CD2 3.74Å; E411-Y413 HydrophobicContact CB-CE1 4.44Å; E411-Y413 HydrophobicContact CB-CE2 3.77Å; E411-Y413 HydrophobicContact CB-CG 4.15Å; E411-Y413 HydrophobicContact CG-CE2 4.36Å; E411-Y413 WeakPolarHBondContact O-CD1 3.29Å; E411-Y413 VanDerWaalsContact O-CE1 3.23Å; E411-Y413 WeakPolarHBondContact O-CE1 3.37Å; E411-Y413 PolarHBondContact O-N 3.49Å; E411-Y413 WeakPolarHBondContact OE2-CD2 3.49Å; E411-Y413 VanDerWaalsContact OE2-CE2 3.22Å; E411-Y413 WeakPolarHBondContact OE2-CE2 3.49Å; E411-I463 VanDerWaalsContact C-CD1 3.44Å; E411-I463 WeakPolarHBondContact O-CD1 3.49Å; E411-I463 WeakPolarHBondContact O-CG2 3.26Å
412	G	88.3	Confident	93.7	Very high	2 Å²	2	48.9 Å²	48.9	2%	0.021	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.8	27.6	-176.1	0	0	0	0	0	115.3	R408 F409 V410	R408-G412 CarbonylContact O-C 3.59Å; R408-G412 WeakPolarHBondContact O-CA 3.08Å; R408-G412 PolarHBondContact O-N 3.43Å; F409-G412 PolarHBondContact O-N 3.16Å; F409-G412 VanDerWaalsContact O-N 3.16Å; V410-G412 VanDerWaalsContact C-N 3.31Å
413	Y	89.7	Confident	93.6	Very high	92 Å²	92	53 Å²	53	36%	0.361	25%	0.248	S	C	.	.			trans	-98.8	4.3	174.9	-55.6	-22.4	0	0	0	113.3	R408 E411 I463 R467	R408-Y413 PolarHBondContact NH2-O 2.92Å; R408-Y413 PolarHBondContact O-N 3.4Å; E411-Y413 VanDerWaalsContact C-N 3.31Å; E411-Y413 HydrophobicContact CB-CD2 3.74Å; E411-Y413 HydrophobicContact CB-CE1 4.44Å; E411-Y413 HydrophobicContact CB-CE2 3.77Å; E411-Y413 HydrophobicContact CB-CG 4.15Å; E411-Y413 HydrophobicContact CG-CE2 4.36Å; E411-Y413 WeakPolarHBondContact O-CD1 3.29Å; E411-Y413 VanDerWaalsContact O-CE1 3.23Å; E411-Y413 WeakPolarHBondContact O-CE1 3.37Å; E411-Y413 PolarHBondContact O-N 3.49Å; E411-Y413 WeakPolarHBondContact OE2-CD2 3.49Å; E411-Y413 VanDerWaalsContact OE2-CE2 3.22Å; E411-Y413 WeakPolarHBondContact OE2-CE2 3.49Å; Y413-I463 HydrophobicContact CD1-CG2 4.3Å; Y413-I463 HydrophobicContact CE1-CG2 3.9Å; Y413-R467 PolarHBondContact OH-NH1 3.3Å
414	A	90.9	Very high	93.6	Very high	8 Å²	8	56.3 Å²	56.3	7%	0.066	26%	0.264	C	S	.	.			trans	-73.7	152.2	170.4	0	0	0	0	0	110.6	R408 F409 E418 M460	R408-A414 HydrophobicContact CB-CB 4.48Å; R408-A414 PolarHBondContact O-N 3.19Å; F409-A414 HydrophobicContact CD1-CB 3.3Å; F409-A414 HydrophobicContact CE1-CB 3.29Å; F409-A414 HydrophobicContact CG-CB 3.99Å; F409-A414 HydrophobicContact CZ-CB 4Å; A414-E418 VanDerWaalsContact CA-OE2 3.28Å; A414-E418 WeakPolarHBondContact CA-OE2 3.49Å; A414-E418 HydrophobicContact CB-CB 4.38Å; A414-E418 VanDerWaalsContact CB-OE2 3.3Å; A414-E418 WeakPolarHBondContact CB-OE2 3.36Å; A414-M460 HydrophobicContact CB-CG 4.31Å; A414-M460 HydrophobicContact CB-SD 3.86Å; A414-M460 WeakPolarHBondContact O-CG 3.49Å; A414-M460 VanDerWaalsContact O-SD 3.4Å
415	V	90.2	Very high	93.5	Very high	67 Å²	67	49.8 Å²	49.8	41%	0.406	24%	0.236	S	C	.	.			trans	-103.6	157.5	171.6	-63.2	0	0	0	0	109.6	E417 E418	V415-E417 WeakPolarHBondContact CB-OE2 3.39Å; V415-E417 HydrophobicContact CG2-CB 4.42Å; V415-E417 VanDerWaalsContact CG2-OE2 3.25Å; V415-E417 WeakPolarHBondContact CG2-OE2 3.39Å; V415-E417 PolarHBondContact O-N 2.96Å; V415-E417 VanDerWaalsContact O-N 3.1Å; V415-E418 HydrophobicContact CG2-CG 3.72Å; V415-E418 WeakPolarHBondContact O-CB 3.44Å; V415-E418 PolarHBondContact O-N 3.48Å
416	P	89.3	Confident	93.4	Very high	80 Å²	80	49.6 Å²	49.6	52%	0.519	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-35.3	-176.4	-29.4	37.3	0	0	0	114.7	E418 L419	P416-E418 PolarHBondContact O-N 3.06Å; P416-L419 WeakPolarHBondContact O-CB 3.43Å; P416-L419 PolarHBondContact O-N 3.14Å; P416-L419 VanDerWaalsContact O-N 3.17Å
417	E	92.5	Very high	93.3	Very high	131 Å²	131	53.5 Å²	53.5	61%	0.612	25%	0.252	S	S	*	.	H	α-helix	trans	-63.6	-25.3	178.2	-59.4	73.4	-160.2	0	0	112.4	V415 L419 D420 M421	V415-E417 WeakPolarHBondContact CB-OE2 3.39Å; V415-E417 HydrophobicContact CG2-CB 4.42Å; V415-E417 VanDerWaalsContact CG2-OE2 3.25Å; V415-E417 WeakPolarHBondContact CG2-OE2 3.39Å; V415-E417 PolarHBondContact O-N 2.96Å; V415-E417 VanDerWaalsContact O-N 3.1Å; E417-L419 PolarHBondContact O-N 3.33Å; E417-D420 PolarHBondContact O-N 2.86Å; E417-M421 PolarHBondContact O-N 3.49Å
418	E	94.5	Very high	93.2	Very high	19 Å²	19	55.1 Å²	55.1	9%	0.089	26%	0.264	C	S	.	.	H	α-helix	trans	-70.6	-18.4	178.7	-65	-174.5	177.2	0	0	112.8	I405 R408 F409 A414 V415 P416 M421 I422	I405-E418 HydrophobicContact CG2-CB 4.44Å; R408-E418 IonicContact CZ-OE1 2.75Å; R408-E418 IonicContact CZ-OE2 3.82Å; R408-E418 VanDerWaalsContact CZ-OE2 3.29Å; R408-E418 IonicContact NE-OE2 2.98Å; R408-E418 IonicContact NH1-OE1 2.69Å; R408-E418 PolarHBondContact NH1-OE1 3.48Å; R408-E418 IonicContact NH1-OE2 2.69Å; R408-E418 PolarHBondContact NH1-OE2 2.97Å; R408-E418 VanDerWaalsContact NH2-CD 3.33Å; R408-E418 IonicContact NH2-OE1 3.98Å; R408-E418 PolarHBondContact NH2-OE1 3.18Å; R408-E418 IonicContact NH2-OE2 3.45Å; R408-E418 PolarHBondContact NH2-OE2 3.2Å; F409-E418 HydrophobicContact CZ-CB 4.05Å; A414-E418 VanDerWaalsContact CA-OE2 3.28Å; A414-E418 WeakPolarHBondContact CA-OE2 3.49Å; A414-E418 HydrophobicContact CB-CB 4.38Å; A414-E418 VanDerWaalsContact CB-OE2 3.3Å; A414-E418 WeakPolarHBondContact CB-OE2 3.36Å; V415-E418 HydrophobicContact CG2-CG 3.72Å; V415-E418 WeakPolarHBondContact O-CB 3.44Å; V415-E418 PolarHBondContact O-N 3.48Å; P416-E418 PolarHBondContact O-N 3.06Å; E418-M421 HydrophobicContact CB-CE 4.08Å; E418-M421 HydrophobicContact CG-CE 3.76Å; E418-I422 WeakPolarHBondContact O-CB 3.32Å; E418-I422 WeakPolarHBondContact O-CG2 3.4Å; E418-I422 PolarHBondContact O-N 3.38Å
419	L	92.5	Very high	93.2	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.005	25%	0.247	C	C	.	.	H	α-helix	trans	-68.1	-40.5	173.5	-75.3	172.9	0	0	0	112.1	F409 P416 E417 I422 W423 R453 L456 E457 M460	F409-L419 HydrophobicContact CE1-CD2 3.68Å; F409-L419 HydrophobicContact CE1-CG 3.99Å; F409-L419 HydrophobicContact CE2-CD2 4.49Å; F409-L419 HydrophobicContact CZ-CD2 3.64Å; F409-L419 HydrophobicContact CZ-CG 4.02Å; P416-L419 WeakPolarHBondContact O-CB 3.43Å; P416-L419 PolarHBondContact O-N 3.14Å; P416-L419 VanDerWaalsContact O-N 3.17Å; E417-L419 PolarHBondContact O-N 3.33Å; L419-I422 WeakPolarHBondContact O-CG2 3.41Å; L419-W423 PolarHBondContact O-N 3.05Å; L419-R453 HydrophobicContact CD1-CG 4.17Å; L419-L456 HydrophobicContact CD2-CB 3.84Å; L419-L456 HydrophobicContact CD2-CD1 3.58Å; L419-L456 HydrophobicContact CD2-CG 4.3Å; L419-E457 HydrophobicContact CD1-CG 3.64Å; L419-M460 HydrophobicContact CD1-CE 3.52Å; L419-M460 HydrophobicContact CG-CE 3.9Å
420	D	92.3	Very high	93	Very high	79 Å²	79	53.1 Å²	53.1	42%	0.422	26%	0.258	S	S	.	.	H	α-helix	trans	-79.6	-36.4	178.1	-59.8	-32.6	0	0	0	109.4	E417 I422 W423 E424 R453	E417-D420 PolarHBondContact O-N 2.86Å; D420-I422 PolarHBondContact O-N 3.41Å; D420-W423 WeakPolarHBondContact O-CB 3.43Å; D420-W423 PolarHBondContact O-N 3.49Å; D420-E424 WeakPolarHBondContact O-CG 3.34Å; D420-E424 PolarHBondContact O-N 2.81Å; D420-R453 IonicContact OD1-CZ 3.14Å; D420-R453 IonicContact OD1-NH1 3.77Å; D420-R453 PolarHBondContact OD1-NH1 2.91Å; D420-R453 IonicContact OD1-NH2 2.72Å; D420-R453 PolarHBondContact OD1-NH2 3.41Å; D420-R453 VanDerWaalsContact OD1-NH2 3.09Å; D420-R453 IonicContact OD2-NH2 3.99Å
421	M	95	Very high	92.8	Very high	59 Å²	59	55 Å²	55	29%	0.291	28%	0.282	S	S	.	.	H	α-helix	trans	-60.4	-44.8	173.4	-174.3	-174.3	68.8	0	0	113	W401 I405 E417 E418 W423 E424 L425	W401-M421 HydrophobicContact CZ2-SD 4.17Å; I405-M421 HydrophobicContact CD1-CE 3.63Å; I405-M421 HydrophobicContact CG1-CE 3.99Å; E417-M421 PolarHBondContact O-N 3.49Å; E418-M421 HydrophobicContact CB-CE 4.08Å; E418-M421 HydrophobicContact CG-CE 3.76Å; M421-W423 VanDerWaalsContact C-N 3.26Å; M421-W423 PolarHBondContact O-N 3.33Å; M421-E424 PolarHBondContact O-N 3.35Å; M421-L425 WeakPolarHBondContact O-CB 3.22Å; M421-L425 PolarHBondContact O-N 3.22Å
422	I	95.9	Very high	92.9	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-67.1	-32.7	179.5	-160.2	175.4	0	0	0	111.2	L402 I405 M406 F409 E418 L419 D420 S426 V445 V449	L402-I422 HydrophobicContact CD2-CD1 4.2Å; L402-I422 HydrophobicContact CD2-CG1 3.64Å; I405-I422 HydrophobicContact CB-CD1 4.05Å; I405-I422 HydrophobicContact CB-CG1 4.48Å; I405-I422 HydrophobicContact CD1-CB 4.42Å; I405-I422 HydrophobicContact CD1-CG1 4.21Å; I405-I422 HydrophobicContact CG2-CB 4.23Å; I405-I422 HydrophobicContact CG2-CD1 3.84Å; I405-I422 HydrophobicContact CG2-CG1 4.26Å; M406-I422 HydrophobicContact CG-CD1 3.99Å; M406-I422 HydrophobicContact SD-CD1 3.63Å; F409-I422 HydrophobicContact CD2-CD1 4.27Å; F409-I422 HydrophobicContact CE2-CB 4.33Å; F409-I422 HydrophobicContact CE2-CD1 3.88Å; F409-I422 HydrophobicContact CE2-CG2 4Å; F409-I422 HydrophobicContact CZ-CG2 4.42Å; E418-I422 WeakPolarHBondContact O-CB 3.32Å; E418-I422 WeakPolarHBondContact O-CG2 3.4Å; E418-I422 PolarHBondContact O-N 3.38Å; L419-I422 WeakPolarHBondContact O-CG2 3.41Å; D420-I422 PolarHBondContact O-N 3.41Å; I422-S426 WeakPolarHBondContact O-CB 3.18Å; I422-S426 PolarHBondContact O-N 3.14Å; I422-V445 HydrophobicContact CD1-CG1 3.46Å; I422-V445 VanDerWaalsContact CD1-CG1 3.46Å; I422-V445 HydrophobicContact CG1-CG1 3.75Å; I422-V449 HydrophobicContact CG2-CG2 3.91Å
423	W	94.9	Very high	93.1	Very high	90 Å²	90	58.1 Å²	58.1	34%	0.341	30%	0.297	S	S	.	.	H	α-helix	trans	-64.7	-49.6	172.8	-177.9	-92.6	0	0	0	111.1	L419 D420 M421 L425 S426 K427 Q446 V449	L419-W423 PolarHBondContact O-N 3.05Å; D420-W423 WeakPolarHBondContact O-CB 3.43Å; D420-W423 PolarHBondContact O-N 3.49Å; M421-W423 VanDerWaalsContact C-N 3.26Å; M421-W423 PolarHBondContact O-N 3.33Å; W423-L425 PolarHBondContact O-N 2.96Å; W423-S426 WeakPolarHBondContact O-CB 3.32Å; W423-S426 PolarHBondContact O-N 3.38Å; W423-S426 PolarHBondContact O-OG 3.27Å; W423-K427 WeakPolarHBondContact O-CG 3.45Å; W423-K427 PolarHBondContact O-N 3.4Å; W423-K427 VanDerWaalsContact O-N 3.09Å; W423-Q446 HydrophobicContact CE3-CB 4.39Å; W423-Q446 HydrophobicContact CE3-CG 4.25Å; W423-Q446 HydrophobicContact CH2-CB 4.42Å; W423-Q446 HydrophobicContact CZ3-CB 3.84Å; W423-Q446 HydrophobicContact CZ3-CG 4.07Å; W423-V449 HydrophobicContact CE3-CB 4.26Å; W423-V449 HydrophobicContact CE3-CG1 4.07Å
424	E	95.6	Very high	93.3	Very high	116 Å²	116	55.9 Å²	55.9	54%	0.542	29%	0.291	S	S	.	.	H	α-helix	trans	-59.4	-46.4	176.6	-73	-179.6	-179.8	0	0	112.2	D420 M421 S426 K427 Q428	D420-E424 WeakPolarHBondContact O-CG 3.34Å; D420-E424 PolarHBondContact O-N 2.81Å; M421-E424 PolarHBondContact O-N 3.35Å; E424-S426 VanDerWaalsContact C-N 3.3Å; E424-S426 PolarHBondContact O-N 3.01Å; E424-K427 PolarHBondContact O-N 3.23Å; E424-Q428 WeakPolarHBondContact O-CG 3.19Å; E424-Q428 PolarHBondContact O-N 2.92Å
425	L	95.9	Very high	93.5	Very high	11 Å²	11	56.4 Å²	56.4	6%	0.058	29%	0.294	C	S	.	.	H	α-helix	trans	-56.8	-45.5	175.7	176.1	59.7	0	0	0	111.2	W401 L402 I405 M421 W423 K427 Q428 M429	W401-L425 HydrophobicContact CB-CD2 3.96Å; W401-L425 HydrophobicContact CD2-CD1 4.2Å; W401-L425 HydrophobicContact CD2-CD2 3.63Å; W401-L425 HydrophobicContact CE3-CD1 3.5Å; W401-L425 VanDerWaalsContact CE3-CD1 3.5Å; W401-L425 HydrophobicContact CE3-CD2 3.84Å; W401-L425 HydrophobicContact CE3-CG 4.3Å; W401-L425 HydrophobicContact CG-CD2 3.7Å; W401-L425 HydrophobicContact CZ3-CD1 3.78Å; L402-L425 HydrophobicContact CD2-CD2 3.78Å; L402-L425 HydrophobicContact CD2-CG 4.06Å; L402-L425 HydrophobicContact CG-CD2 3.98Å; L402-L425 HydrophobicContact CG-CG 4.31Å; I405-L425 HydrophobicContact CD1-CD2 3.81Å; M421-L425 WeakPolarHBondContact O-CB 3.22Å; M421-L425 PolarHBondContact O-N 3.22Å; W423-L425 PolarHBondContact O-N 2.96Å; L425-K427 PolarHBondContact O-N 3.16Å; L425-Q428 PolarHBondContact O-N 3.27Å; L425-M429 HydrophobicContact CG-SD 4.41Å; L425-M429 WeakPolarHBondContact O-CG 3.04Å; L425-M429 PolarHBondContact O-N 3.01Å
426	S	95.2	Very high	93.7	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-61.2	-34.6	178.3	83.5	0	0	0	0	112.2	I422 W423 E424 E430 Q446	I422-S426 WeakPolarHBondContact O-CB 3.18Å; I422-S426 PolarHBondContact O-N 3.14Å; W423-S426 WeakPolarHBondContact O-CB 3.32Å; W423-S426 PolarHBondContact O-N 3.38Å; W423-S426 PolarHBondContact O-OG 3.27Å; E424-S426 VanDerWaalsContact C-N 3.3Å; E424-S426 PolarHBondContact O-N 3.01Å; S426-E430 WeakPolarHBondContact O-CB 3.22Å; S426-E430 PolarHBondContact O-N 3.41Å; S426-E430 VanDerWaalsContact O-N 3.16Å; S426-Q446 WeakPolarHBondContact OG-CG 3.41Å; S426-Q446 PolarHBondContact OG-NE2 3.24Å
427	K	94.5	Very high	94	Very high	82 Å²	82	52.3 Å²	52.3	36%	0.357	27%	0.273	S	S	.	.	H	α-helix	trans	-77.6	-30	177.3	-68.3	-69.8	164.7	-158.3	0	113.1	W423 E424 L425 M429 E430	W423-K427 WeakPolarHBondContact O-CG 3.45Å; W423-K427 PolarHBondContact O-N 3.4Å; W423-K427 VanDerWaalsContact O-N 3.09Å; E424-K427 PolarHBondContact O-N 3.23Å; L425-K427 PolarHBondContact O-N 3.16Å; K427-M429 VanDerWaalsContact C-N 3.3Å; K427-E430 WeakPolarHBondContact CD-OE2 3.36Å; K427-E430 IonicContact NZ-OE2 2.87Å; K427-E430 PolarHBondContact NZ-OE2 2.95Å
428	Q	94.6	Very high	94.1	Very high	118 Å²	118	46.1 Å²	46.1	55%	0.551	24%	0.244	S	C	*	.	H	α-helix	trans	-71.2	-26.8	172.3	-70.9	176.9	3.8	0	0	112.3	E424 L425 H432	E424-Q428 WeakPolarHBondContact O-CG 3.19Å; E424-Q428 PolarHBondContact O-N 2.92Å; L425-Q428 PolarHBondContact O-N 3.27Å; Q428-H432 WeakPolarHBondContact O-CB 3.46Å; Q428-H432 PolarHBondContact O-ND1 2.91Å; Q428-H432 VanDerWaalsContact O-ND1 3.16Å
429	M	94.4	Very high	94.1	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.01	25%	0.251	C	S	.	.	H	α-helix	trans	-77.4	-43.5	173.7	-70.1	176.4	63.6	0	0	112.4	G398 C399 L402 L425 K427 H432 A438 A441	G398-M429 VanDerWaalsContact C-SD 3.6Å; C399-M429 VanDerWaalsContact SG-CE 3.57Å; L402-M429 HydrophobicContact CD1-CE 3.77Å; L402-M429 HydrophobicContact CD1-SD 3.36Å; L402-M429 WeakPolarHBondContact CD1-SD 3.49Å; L402-M429 HydrophobicContact CG-SD 3.8Å; L425-M429 HydrophobicContact CG-SD 4.41Å; L425-M429 WeakPolarHBondContact O-CG 3.04Å; L425-M429 PolarHBondContact O-N 3.01Å; K427-M429 VanDerWaalsContact C-N 3.3Å; M429-H432 PolarHBondContact O-N 2.88Å; M429-A438 HydrophobicContact CB-CB 4.32Å; M429-A438 HydrophobicContact CE-CB 4.14Å; M429-A441 HydrophobicContact CE-CB 4.29Å
430	E	91.1	Very high	94.2	Very high	49 Å²	49	47.7 Å²	47.7	23%	0.229	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	132.3	178.8	179.4	166	-154.4	0	0	111.3	S426 K427 H432 E439 W443 Q446	S426-E430 WeakPolarHBondContact O-CB 3.22Å; S426-E430 PolarHBondContact O-N 3.41Å; S426-E430 VanDerWaalsContact O-N 3.16Å; K427-E430 WeakPolarHBondContact CD-OE2 3.36Å; K427-E430 IonicContact NZ-OE2 2.87Å; K427-E430 PolarHBondContact NZ-OE2 2.95Å; E430-H432 PolarHBondContact O-N 3.28Å; E430-H432 PolarHBondContact O-ND1 3.01Å; E430-E439 HydrophobicContact CG-CG 4.18Å; E430-W443 PolarHBondContact OE1-NE1 2.92Å; E430-Q446 PolarHBondContact OE2-NE2 3.42Å
431	G	90.6	Very high	94.5	Very high	60 Å²	60	44 Å²	44	62%	0.619	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	71	-7.5	179.5	0	0	0	0	0	117
432	H	93.2	Very high	94.6	Very high	128 Å²	128	41.2 Å²	41.2	59%	0.593	22%	0.219	S	C	*	.	S	Bend	trans	-108.1	18.9	-177.1	-60.2	89	0	0	0	113.4	P394 Q428 M429 E430	P394-H432 HydrophobicContact CG-CB 4.27Å; P394-H432 WeakPolarHBondContact CG-O 3.28Å; Q428-H432 WeakPolarHBondContact O-CB 3.46Å; Q428-H432 PolarHBondContact O-ND1 2.91Å; Q428-H432 VanDerWaalsContact O-ND1 3.16Å; M429-H432 PolarHBondContact O-N 2.88Å; E430-H432 PolarHBondContact O-N 3.28Å; E430-H432 PolarHBondContact O-ND1 3.01Å
433	T	92.2	Very high	94.6	Very high	28 Å²	28	44.8 Å²	44.8	17%	0.172	23%	0.233	C	C	.	.	S	Bend	trans	-124.8	165.4	-175.2	53.8	0	0	0	0	112	P394 C395 C435 A438	P394-T433 HydrophobicContact CB-CG2 3.78Å; P394-T433 HydrophobicContact CG-CG2 4.38Å; C395-T433 HydrophobicContact CB-CG2 3.96Å; T433-C435 PolarHBondContact OG1-O 3.18Å; T433-C435 VanDerWaalsContact OG1-O 3.05Å; T433-A438 HydrophobicContact CG2-CB 3.48Å; T433-A438 VanDerWaalsContact CG2-CB 3.48Å; T433-A438 WeakPolarHBondContact OG1-CB 3.27Å
434	I	94.6	Very high	94.8	Very high	45 Å²	45	40.6 Å²	40.6	23%	0.231	22%	0.217	C	C	.	.	S	Bend	trans	-72.2	-34.7	-176.4	-64.9	170.4	0	0	0	111.2	P233 L235 Q391 C392	P233-I434 HydrophobicContact CB-CG2 3.92Å; L235-I434 HydrophobicContact CD1-CG1 4.32Å; L235-I434 HydrophobicContact CD1-CG2 4.43Å; Q391-I434 HydrophobicContact CG-CD1 3.81Å; C392-I434 HydrophobicContact CB-CD1 3.84Å; C392-I434 HydrophobicContact CB-CG1 3.87Å
435	C	94.5	Very high	94.8	Very high	19 Å²	19	35 Å²	35	13%	0.128	19%	0.191	C	C	.	.	S	Bend	trans	-135.9	169.2	-177.9	77.8	0	0	0	0	110.9	E218 P233 T433 L437	E218-C435 HydrophobicContact CG-CB 3.95Å; P233-C435 HydrophobicContact CB-CB 3.83Å; P233-C435 HydrophobicContact CG-CB 3.73Å; T433-C435 PolarHBondContact OG1-O 3.18Å; T433-C435 VanDerWaalsContact OG1-O 3.05Å; C435-L437 PolarHBondContact O-N 3.2Å; C435-L437 VanDerWaalsContact O-N 3.1Å
436	A	94.3	Very high	94.9	Very high	54 Å²	54	34.9 Å²	34.9	45%	0.446	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	6.7	-176.5	0	0	0	0	0	115.2	A438 E439 A440	A436-A438 VanDerWaalsContact C-N 3.3Å; A436-A438 PolarHBondContact O-N 3.12Å; A436-E439 WeakPolarHBondContact O-CB 3.43Å; A436-E439 PolarHBondContact O-N 2.73Å; A436-A440 PolarHBondContact O-N 2.96Å
437	L	96	Very high	95	Very high	8 Å²	8	34.9 Å²	34.9	4%	0.042	19%	0.19	C	C	.	.	H	α-helix	trans	-63.6	-36.8	178.6	-174	149.1	0	0	0	111.9	Y214 I215 Y384 E387 C395 C435 E439 A440 A441	Y214-L437 HydrophobicContact CD1-CD1 3.77Å; Y214-L437 HydrophobicContact CE1-CD1 3.73Å; Y214-L437 HydrophobicContact CE1-CG 4.12Å; I215-L437 HydrophobicContact CB-CD1 4.11Å; I215-L437 HydrophobicContact CD1-CB 4.2Å; I215-L437 HydrophobicContact CD1-CD1 3.68Å; I215-L437 HydrophobicContact CG1-CD1 4.27Å; Y384-L437 HydrophobicContact CD1-CD2 4.37Å; Y384-L437 HydrophobicContact CD1-CG 4.28Å; E387-L437 WeakPolarHBondContact O-CD1 3.41Å; C395-L437 WeakPolarHBondContact SG-CD2 3.41Å; C435-L437 PolarHBondContact O-N 3.2Å; C435-L437 VanDerWaalsContact O-N 3.1Å; L437-E439 VanDerWaalsContact C-N 3.32Å; L437-E439 PolarHBondContact O-N 2.77Å; L437-A440 CarbonylContact O-C 3.58Å; L437-A440 WeakPolarHBondContact O-CB 3.5Å; L437-A440 PolarHBondContact O-N 3.33Å; L437-A441 WeakPolarHBondContact O-CB 3.41Å; L437-A441 PolarHBondContact O-N 3.34Å
438	A	95	Very high	95.1	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-69.8	-32.8	178.7	0	0	0	0	0	112.3	C395 M429 T433 A436 A441 A442	C395-A438 HydrophobicContact CB-CB 4.03Å; M429-A438 HydrophobicContact CB-CB 4.32Å; M429-A438 HydrophobicContact CE-CB 4.14Å; T433-A438 HydrophobicContact CG2-CB 3.48Å; T433-A438 VanDerWaalsContact CG2-CB 3.48Å; T433-A438 WeakPolarHBondContact OG1-CB 3.27Å; A436-A438 VanDerWaalsContact C-N 3.3Å; A436-A438 PolarHBondContact O-N 3.12Å; A438-A441 PolarHBondContact O-N 2.97Å; A438-A442 WeakPolarHBondContact O-CB 3.44Å; A438-A442 PolarHBondContact O-N 3.48Å
439	E	94.3	Very high	95.2	Very high	50 Å²	50	25.8 Å²	25.8	23%	0.234	15%	0.149	C	C	.	.	H	α-helix	trans	-62.6	-48.5	169.1	-68.1	171.3	-174.9	0	0	110.3	E430 A436 L437 A441 A442 W443	E430-E439 HydrophobicContact CG-CG 4.18Å; A436-E439 WeakPolarHBondContact O-CB 3.43Å; A436-E439 PolarHBondContact O-N 2.73Å; L437-E439 VanDerWaalsContact C-N 3.32Å; L437-E439 PolarHBondContact O-N 2.77Å; E439-A441 PolarHBondContact O-N 3.46Å; E439-A442 PolarHBondContact O-N 2.97Å; E439-A442 VanDerWaalsContact O-N 3.1Å; E439-W443 HydrophobicContact CB-CD2 4.14Å; E439-W443 HydrophobicContact CB-CE3 4.4Å; E439-W443 HydrophobicContact CB-CH2 3.94Å; E439-W443 HydrophobicContact CB-CZ2 3.66Å; E439-W443 HydrophobicContact CB-CZ3 4.32Å; E439-W443 HydrophobicContact CG-CZ2 4.07Å; E439-W443 VanDerWaalsContact O-CB 3.29Å; E439-W443 WeakPolarHBondContact O-CB 3.48Å; E439-W443 PolarHBondContact O-N 3.44Å
440	A	95.6	Very high	95.3	Very high	4 Å²	4	29.5 Å²	29.5	3%	0.033	16%	0.163	C	C	.	.	H	α-helix	trans	-59.2	-32.2	175.3	0	0	0	0	0	113.2	Y384 A436 L437 P444	Y384-A440 HydrophobicContact CD1-CB 4.34Å; Y384-A440 HydrophobicContact CE1-CB 3.5Å; Y384-A440 WeakPolarHBondContact CE2-O 3.33Å; Y384-A440 VanDerWaalsContact CZ-O 3.23Å; A436-A440 PolarHBondContact O-N 2.96Å; L437-A440 CarbonylContact O-C 3.58Å; L437-A440 WeakPolarHBondContact O-CB 3.5Å; L437-A440 PolarHBondContact O-N 3.33Å; A440-P444 WeakPolarHBondContact O-CD 3.37Å; A440-P444 WeakPolarHBondContact O-CG 3.35Å
441	A	96.9	Very high	95.6	Very high	2 Å²	2	28.2 Å²	28.2	2%	0.017	16%	0.157	C	C	.	.	H	α-helix	trans	-76.1	-36.5	174.5	0	0	0	0	0	113.2	Y384 M429 L437 A438 E439	Y384-A441 HydrophobicContact CD1-CB 4.17Å; Y384-A441 HydrophobicContact CD2-CB 4.18Å; Y384-A441 HydrophobicContact CG-CB 3.72Å; M429-A441 HydrophobicContact CE-CB 4.29Å; L437-A441 WeakPolarHBondContact O-CB 3.41Å; L437-A441 PolarHBondContact O-N 3.34Å; A438-A441 PolarHBondContact O-N 2.97Å; E439-A441 PolarHBondContact O-N 3.46Å
442	A	97	Very high	95.9	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-79.9	-41.2	-176.7	0	0	0	0	0	112.9	A438 E439 V445 Q446	A438-A442 WeakPolarHBondContact O-CB 3.44Å; A438-A442 PolarHBondContact O-N 3.48Å; E439-A442 PolarHBondContact O-N 2.97Å; E439-A442 VanDerWaalsContact O-N 3.1Å; A442-V445 WeakPolarHBondContact O-CB 3.41Å; A442-V445 PolarHBondContact O-N 3.49Å; A442-Q446 WeakPolarHBondContact O-CG 3.44Å; A442-Q446 PolarHBondContact O-N 3.09Å
443	W	97.5	Very high	96	Very high	75 Å²	75	24.5 Å²	24.5	28%	0.284	12%	0.12	S	C	.	.	H	α-helix	trans	-61.1	-38.7	-172.7	-75	-12.8	0	0	0	115.2	S333 P335 E430 E439 V445 Q446 G447	S333-W443 WeakPolarHBondContact O-CB 3.46Å; S333-W443 VanDerWaalsContact O-CE3 3.27Å; P335-W443 HydrophobicContact CG-CB 3.92Å; P335-W443 HydrophobicContact CG-CG 4.37Å; E430-W443 PolarHBondContact OE1-NE1 2.92Å; E439-W443 HydrophobicContact CB-CD2 4.14Å; E439-W443 HydrophobicContact CB-CE3 4.4Å; E439-W443 HydrophobicContact CB-CH2 3.94Å; E439-W443 HydrophobicContact CB-CZ2 3.66Å; E439-W443 HydrophobicContact CB-CZ3 4.32Å; E439-W443 HydrophobicContact CG-CZ2 4.07Å; E439-W443 VanDerWaalsContact O-CB 3.29Å; E439-W443 WeakPolarHBondContact O-CB 3.48Å; E439-W443 PolarHBondContact O-N 3.44Å; W443-V445 VanDerWaalsContact C-N 3.33Å; W443-V445 PolarHBondContact O-N 3.1Å; W443-Q446 PolarHBondContact O-N 2.66Å; W443-G447 PolarHBondContact O-N 3.41Å
444	P	97.4	Very high	96.2	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.006	14%	0.14	C	C	.	.	H	α-helix	trans	-63.9	-39.2	174.7	-27.4	39.6	0	0	0	112.3	S332 I377 L380 Y384 A440 G447 L448	S332-P444 WeakPolarHBondContact O-CG 3.39Å; I377-P444 HydrophobicContact CD1-CB 4.32Å; I377-P444 HydrophobicContact CG2-CB 4.16Å; L380-P444 HydrophobicContact CD1-CB 4.29Å; Y384-P444 HydrophobicContact CE2-CG 4.38Å; A440-P444 WeakPolarHBondContact O-CD 3.37Å; A440-P444 WeakPolarHBondContact O-CG 3.35Å; P444-G447 PolarHBondContact O-N 3.3Å; P444-L448 WeakPolarHBondContact O-CB 3.4Å; P444-L448 PolarHBondContact O-N 3.22Å
445	V	97.3	Very high	96.1	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-67.3	-45.5	175.9	178.4	0	0	0	0	110.4	I377 L402 M406 I422 A442 W443 G447 L448 V449	I377-V445 HydrophobicContact CG2-CG2 4.26Å; L402-V445 HydrophobicContact CD2-CG1 4.42Å; M406-V445 HydrophobicContact CG-CG2 4.09Å; M406-V445 HydrophobicContact SD-CG1 4.04Å; M406-V445 HydrophobicContact SD-CG2 4.09Å; I422-V445 HydrophobicContact CD1-CG1 3.46Å; I422-V445 VanDerWaalsContact CD1-CG1 3.46Å; I422-V445 HydrophobicContact CG1-CG1 3.75Å; A442-V445 WeakPolarHBondContact O-CB 3.41Å; A442-V445 PolarHBondContact O-N 3.49Å; W443-V445 VanDerWaalsContact C-N 3.33Å; W443-V445 PolarHBondContact O-N 3.1Å; V445-G447 VanDerWaalsContact C-N 3.3Å; V445-G447 PolarHBondContact O-N 3.07Å; V445-L448 WeakPolarHBondContact O-CB 3.36Å; V445-L448 PolarHBondContact O-N 2.66Å; V445-V449 HydrophobicContact CG1-CG2 4.45Å; V445-V449 WeakPolarHBondContact O-CG2 3.47Å; V445-V449 PolarHBondContact O-N 2.89Å
446	Q	96.8	Very high	96.2	Very high	8 Å²	8	27.2 Å²	27.2	4%	0.037	14%	0.135	C	C	.	.	H	α-helix	trans	-58.8	-42.3	174.2	-70.2	-179.3	18.6	0	0	111.6	W423 S426 E430 A442 W443 R450	W423-Q446 HydrophobicContact CE3-CB 4.39Å; W423-Q446 HydrophobicContact CE3-CG 4.25Å; W423-Q446 HydrophobicContact CH2-CB 4.42Å; W423-Q446 HydrophobicContact CZ3-CB 3.84Å; W423-Q446 HydrophobicContact CZ3-CG 4.07Å; S426-Q446 WeakPolarHBondContact OG-CG 3.41Å; S426-Q446 PolarHBondContact OG-NE2 3.24Å; E430-Q446 PolarHBondContact OE2-NE2 3.42Å; A442-Q446 WeakPolarHBondContact O-CG 3.44Å; A442-Q446 PolarHBondContact O-N 3.09Å; W443-Q446 PolarHBondContact O-N 2.66Å; Q446-R450 WeakPolarHBondContact O-CB 3.35Å; Q446-R450 PolarHBondContact O-N 3.11Å
447	G	97.4	Very high	96.1	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-61.4	-44.7	175.2	0	0	0	0	0	112.5	W443 P444 V445 R450 H451	W443-G447 PolarHBondContact O-N 3.41Å; P444-G447 PolarHBondContact O-N 3.3Å; V445-G447 VanDerWaalsContact C-N 3.3Å; V445-G447 PolarHBondContact O-N 3.07Å; G447-R450 PolarHBondContact O-N 3.35Å; G447-H451 WeakPolarHBondContact O-CB 3.36Å; G447-H451 PolarHBondContact O-CD2 3.37Å; G447-H451 PolarHBondContact O-N 3.41Å
448	L	97.8	Very high	95.9	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-60.9	-53.5	176.3	-176.8	72.9	0	0	0	111.6	L336 V373 V374 I377 M406 P444 V445 R450 H451 F452 L456	L336-L448 HydrophobicContact CD2-CB 4.01Å; L336-L448 HydrophobicContact CD2-CD1 4.28Å; V373-L448 HydrophobicContact CG1-CD1 4.04Å; V373-L448 HydrophobicContact CG2-CD1 4.02Å; V374-L448 HydrophobicContact CG1-CD2 4.49Å; I377-L448 HydrophobicContact CB-CD2 4.02Å; I377-L448 HydrophobicContact CG1-CB 4.22Å; I377-L448 HydrophobicContact CG1-CD1 4.08Å; I377-L448 HydrophobicContact CG1-CD2 4.32Å; I377-L448 HydrophobicContact CG1-CG 4.44Å; I377-L448 HydrophobicContact CG2-CB 4.25Å; I377-L448 HydrophobicContact CG2-CD2 4.09Å; M406-L448 HydrophobicContact CE-CD2 3.49Å; M406-L448 VanDerWaalsContact CE-CD2 3.49Å; M406-L448 HydrophobicContact SD-CD2 4.28Å; P444-L448 WeakPolarHBondContact O-CB 3.4Å; P444-L448 PolarHBondContact O-N 3.22Å; V445-L448 WeakPolarHBondContact O-CB 3.36Å; V445-L448 PolarHBondContact O-N 2.66Å; L448-R450 VanDerWaalsContact C-N 3.3Å; L448-R450 PolarHBondContact O-N 3.43Å; L448-H451 PolarHBondContact O-N 3.02Å; L448-F452 HydrophobicContact CD1-CB 3.92Å; L448-F452 HydrophobicContact CD1-CD2 4.38Å; L448-F452 HydrophobicContact CD1-CG 4.34Å; L448-F452 CarbonylContact O-C 3.53Å; L448-F452 WeakPolarHBondContact O-CA 3.41Å; L448-F452 WeakPolarHBondContact O-CB 3.38Å; L448-F452 PolarHBondContact O-N 3.06Å; L448-L456 HydrophobicContact CD2-CD1 4.4Å; L448-L456 HydrophobicContact CD2-CD2 4.23Å; L448-L456 HydrophobicContact CG-CD1 4.33Å
449	V	96.3	Very high	95.7	Very high	9 Å²	9	34 Å²	34	6%	0.055	16%	0.156	C	C	.	.	H	α-helix	trans	-58.6	-44.6	179.8	174.2	0	0	0	0	110.1	I422 W423 V445 H451 R453 L456	I422-V449 HydrophobicContact CG2-CG2 3.91Å; W423-V449 HydrophobicContact CE3-CB 4.26Å; W423-V449 HydrophobicContact CE3-CG1 4.07Å; V445-V449 HydrophobicContact CG1-CG2 4.45Å; V445-V449 WeakPolarHBondContact O-CG2 3.47Å; V445-V449 PolarHBondContact O-N 2.89Å; V449-H451 PolarHBondContact O-N 3.19Å; V449-R453 VanDerWaalsContact O-CB 3.27Å; V449-R453 WeakPolarHBondContact O-CB 3.5Å; V449-R453 PolarHBondContact O-N 3.16Å; V449-L456 HydrophobicContact CG2-CD1 4.23Å
450	R	96.4	Very high	95.5	Very high	79 Å²	79	32.4 Å²	32.4	30%	0.298	15%	0.149	S	C	.	.	H	α-helix	trans	-64.9	-38.3	-178.3	-177.2	173.8	61.9	-135.6	3.1	113.9	N356 Q446 G447 L448	N356-R450 PolarHBondContact O-NH2 3.14Å; Q446-R450 WeakPolarHBondContact O-CB 3.35Å; Q446-R450 PolarHBondContact O-N 3.11Å; G447-R450 PolarHBondContact O-N 3.35Å; L448-R450 VanDerWaalsContact C-N 3.3Å; L448-R450 PolarHBondContact O-N 3.43Å
451	H	97.3	Very high	95.1	Very high	23 Å²	23	38.7 Å²	38.7	11%	0.106	18%	0.175	C	C	.	.	H	α-helix	trans	-103.2	-23.4	-171.2	-63.9	-58.9	0	0	0	114.2	L336 P338 G447 L448 V449	L336-H451 HydrophobicContact CD1-CB 4.38Å; L336-H451 PolarHBondContact O-CD2 2.9Å; P338-H451 HydrophobicContact CB-CB 4.46Å; P338-H451 HydrophobicContact CG-CB 4.14Å; G447-H451 WeakPolarHBondContact O-CB 3.36Å; G447-H451 PolarHBondContact O-CD2 3.37Å; G447-H451 PolarHBondContact O-N 3.41Å; L448-H451 PolarHBondContact O-N 3.02Å; V449-H451 PolarHBondContact O-N 3.19Å
452	F	96.9	Very high	94.6	Very high	20 Å²	20	41.7 Å²	41.7	9%	0.088	19%	0.191	C	C	.	.	H	α-helix	trans	-127.7	22.1	-173.3	-65.8	-89.8	0	0	0	112.8	L325 A326 L336 P338 V373 L448 P454 E455 L456	L325-F452 HydrophobicContact CD1-CE1 3.67Å; L325-F452 HydrophobicContact CD1-CZ 4.21Å; L325-F452 HydrophobicContact CG-CE1 3.97Å; L325-F452 HydrophobicContact CG-CZ 4.13Å; A326-F452 HydrophobicContact CB-CE2 4.01Å; A326-F452 HydrophobicContact CB-CZ 3.88Å; L336-F452 HydrophobicContact CD1-CD2 3.56Å; L336-F452 HydrophobicContact CD1-CE2 3.23Å; L336-F452 HydrophobicContact CD1-CZ 4.4Å; P338-F452 HydrophobicContact CB-CE2 4.38Å; P338-F452 HydrophobicContact CB-CZ 4.34Å; V373-F452 HydrophobicContact CG1-CD1 4Å; V373-F452 HydrophobicContact CG1-CE1 4.4Å; V373-F452 HydrophobicContact CG1-CG 4.2Å; L448-F452 HydrophobicContact CD1-CB 3.92Å; L448-F452 HydrophobicContact CD1-CD2 4.38Å; L448-F452 HydrophobicContact CD1-CG 4.34Å; L448-F452 CarbonylContact O-C 3.53Å; L448-F452 WeakPolarHBondContact O-CA 3.41Å; L448-F452 WeakPolarHBondContact O-CB 3.38Å; L448-F452 PolarHBondContact O-N 3.06Å; F452-P454 VanDerWaalsContact C-CD 3.42Å; F452-P454 VanDerWaalsContact C-N 3.29Å; F452-E455 HydrophobicContact CB-CB 4.33Å; F452-E455 VanDerWaalsContact CD1-OE2 3.32Å; F452-E455 WeakPolarHBondContact CD1-OE2 3.48Å; F452-E455 WeakPolarHBondContact O-CB 3.07Å; F452-E455 PolarHBondContact O-N 3.01Å; F452-L456 PolarHBondContact O-N 2.86Å; F452-L456 VanDerWaalsContact O-N 3.12Å
453	R	95.4	Very high	93.5	Very high	89 Å²	89	43.6 Å²	43.6	34%	0.336	20%	0.201	S	C	.	.	H	α-helix	trans	-47.1	-46.1	169.5	-168.6	173.4	-178.4	136.5	7.5	112.9	L419 D420 V449 E455 L456 E457	L419-R453 HydrophobicContact CD1-CG 4.17Å; D420-R453 IonicContact OD1-CZ 3.14Å; D420-R453 IonicContact OD1-NH1 3.77Å; D420-R453 PolarHBondContact OD1-NH1 2.91Å; D420-R453 IonicContact OD1-NH2 2.72Å; D420-R453 PolarHBondContact OD1-NH2 3.41Å; D420-R453 VanDerWaalsContact OD1-NH2 3.09Å; D420-R453 IonicContact OD2-NH2 3.99Å; V449-R453 VanDerWaalsContact O-CB 3.27Å; V449-R453 WeakPolarHBondContact O-CB 3.5Å; V449-R453 PolarHBondContact O-N 3.16Å; R453-E455 VanDerWaalsContact C-N 3.27Å; R453-E455 PolarHBondContact O-N 2.95Å; R453-L456 PolarHBondContact O-N 3.43Å; R453-E457 HydrophobicContact CG-CG 4.23Å; R453-E457 WeakPolarHBondContact CG-OE1 3.48Å; R453-E457 IonicContact CZ-OE1 3.27Å; R453-E457 IonicContact NE-OE1 3.29Å; R453-E457 PolarHBondContact NE-OE1 3.29Å; R453-E457 WeakPolarHBondContact O-CG 3.37Å; R453-E457 PolarHBondContact O-N 2.86Å
454	P	94.6	Very high	92.3	Very high	91 Å²	91	43.3 Å²	43.3	59%	0.591	21%	0.208	S	C	*	.	H	α-helix	trans	-61.5	-33.8	179.3	-24.5	36.3	0	0	0	113.4	F452 Q458	F452-P454 VanDerWaalsContact C-CD 3.42Å; F452-P454 VanDerWaalsContact C-N 3.29Å; P454-Q458 VanDerWaalsContact O-CB 3.28Å; P454-Q458 WeakPolarHBondContact O-CB 3.23Å; P454-Q458 PolarHBondContact O-N 2.93Å
455	E	94.3	Very high	91	Very high	56 Å²	56	45.5 Å²	45.5	26%	0.262	22%	0.224	S	C	.	.	H	α-helix	trans	-70.1	-41	177.2	-171	-178.9	151.9	0	0	111.3	V373 F452 R453 Q458 R459	V373-E455 VanDerWaalsContact CG1-OE2 3.29Å; V373-E455 WeakPolarHBondContact CG1-OE2 3.39Å; F452-E455 HydrophobicContact CB-CB 4.33Å; F452-E455 VanDerWaalsContact CD1-OE2 3.32Å; F452-E455 WeakPolarHBondContact CD1-OE2 3.48Å; F452-E455 WeakPolarHBondContact O-CB 3.07Å; F452-E455 PolarHBondContact O-N 3.01Å; R453-E455 VanDerWaalsContact C-N 3.27Å; R453-E455 PolarHBondContact O-N 2.95Å; E455-Q458 PolarHBondContact O-N 3.09Å; E455-R459 WeakPolarHBondContact O-CB 3.3Å; E455-R459 PolarHBondContact O-N 3.49Å; E455-R459 IonicContact OE1-NH2 3.81Å
456	L	94.8	Very high	89.9	Confident	2 Å²	2	49.6 Å²	49.6	1%	0.01	25%	0.245	C	C	.	.	H	α-helix	trans	-62.7	-46.8	174.3	-65.4	167.8	0	0	0	111.3	V374 F409 L419 L448 V449 F452 R453 Q458 R459 M460	V374-L456 HydrophobicContact CB-CD2 4.37Å; V374-L456 HydrophobicContact CG1-CD2 3.75Å; V374-L456 HydrophobicContact CG2-CD2 3.66Å; V374-L456 HydrophobicContact CG2-CG 4.48Å; F409-L456 HydrophobicContact CB-CD2 4Å; F409-L456 HydrophobicContact CD1-CD2 4.13Å; F409-L456 HydrophobicContact CG-CD2 4.04Å; L419-L456 HydrophobicContact CD2-CB 3.84Å; L419-L456 HydrophobicContact CD2-CD1 3.58Å; L419-L456 HydrophobicContact CD2-CG 4.3Å; L448-L456 HydrophobicContact CD2-CD1 4.4Å; L448-L456 HydrophobicContact CD2-CD2 4.23Å; L448-L456 HydrophobicContact CG-CD1 4.33Å; V449-L456 HydrophobicContact CG2-CD1 4.23Å; F452-L456 PolarHBondContact O-N 2.86Å; F452-L456 VanDerWaalsContact O-N 3.12Å; R453-L456 PolarHBondContact O-N 3.43Å; L456-Q458 VanDerWaalsContact C-N 3.35Å; L456-Q458 PolarHBondContact O-N 3.32Å; L456-R459 PolarHBondContact O-N 3.17Å; L456-M460 WeakPolarHBondContact O-CG 3.4Å; L456-M460 PolarHBondContact O-N 2.98Å; L456-M460 VanDerWaalsContact O-N 3.1Å
457	E	93.5	Very high	88.7	Confident	68 Å²	68	55.1 Å²	55.1	32%	0.318	27%	0.265	S	S	.	.	H	α-helix	trans	-61.9	-40.9	177.1	-72.1	175.3	177.5	0	0	112.3	L419 R453 M460 K461	L419-E457 HydrophobicContact CD1-CG 3.64Å; R453-E457 HydrophobicContact CG-CG 4.23Å; R453-E457 WeakPolarHBondContact CG-OE1 3.48Å; R453-E457 IonicContact CZ-OE1 3.27Å; R453-E457 IonicContact NE-OE1 3.29Å; R453-E457 PolarHBondContact NE-OE1 3.29Å; R453-E457 WeakPolarHBondContact O-CG 3.37Å; R453-E457 PolarHBondContact O-N 2.86Å; E457-M460 HydrophobicContact CG-CE 4.24Å; E457-M460 PolarHBondContact O-N 3.24Å; E457-K461 WeakPolarHBondContact O-CG 3.03Å; E457-K461 PolarHBondContact O-N 3.49Å
458	Q	91.8	Very high	87.6	Confident	91 Å²	91	63.9 Å²	63.9	43%	0.425	30%	0.298	S	S	.	.	H	α-helix	trans	-65.1	-44.7	176.7	-172.9	58.5	42.7	0	0	111.3	P454 E455 L456 M460 K461 D462	P454-Q458 VanDerWaalsContact O-CB 3.28Å; P454-Q458 WeakPolarHBondContact O-CB 3.23Å; P454-Q458 PolarHBondContact O-N 2.93Å; E455-Q458 PolarHBondContact O-N 3.09Å; L456-Q458 VanDerWaalsContact C-N 3.35Å; L456-Q458 PolarHBondContact O-N 3.32Å; Q458-M460 VanDerWaalsContact C-N 3.29Å; Q458-M460 PolarHBondContact O-N 2.92Å; Q458-K461 WeakPolarHBondContact O-CA 3.44Å; Q458-K461 WeakPolarHBondContact O-CB 3.43Å; Q458-K461 PolarHBondContact O-N 3.31Å; Q458-D462 PolarHBondContact NE2-OD1 3.01Å; Q458-D462 PolarHBondContact NE2-OD2 3.47Å; Q458-D462 PolarHBondContact O-N 3.47Å
459	R	91.2	Very high	86.6	Confident	46 Å²	46	70.9 Å²	70.9	17%	0.174	33%	0.329	C	S	.	.	H	α-helix	trans	-60.4	-38.5	178.7	-170.6	171.2	-69.5	-152.4	11	112.6	D372 F409 V410 E455 L456 K461 D462 I463	D372-R459 IonicContact OD1-CZ 3.62Å; D372-R459 IonicContact OD1-NH1 3.09Å; D372-R459 PolarHBondContact OD1-NH1 3.07Å; D372-R459 IonicContact OD1-NH2 3.24Å; D372-R459 PolarHBondContact OD1-NH2 3.14Å; D372-R459 IonicContact OD2-CZ 2.73Å; D372-R459 IonicContact OD2-NH1 3.98Å; D372-R459 PolarHBondContact OD2-NH1 3.02Å; D372-R459 IonicContact OD2-NH2 2.98Å; D372-R459 PolarHBondContact OD2-NH2 2.99Å; F409-R459 WeakPolarHBondContact O-CD 3.34Å; V410-R459 PolarHBondContact O-NH1 2.88Å; E455-R459 WeakPolarHBondContact O-CB 3.3Å; E455-R459 PolarHBondContact O-N 3.49Å; E455-R459 IonicContact OE1-NH2 3.81Å; L456-R459 PolarHBondContact O-N 3.17Å; R459-K461 VanDerWaalsContact C-N 3.27Å; R459-K461 PolarHBondContact O-N 3.26Å; R459-D462 PolarHBondContact O-N 3.1Å; R459-I463 HydrophobicContact CG-CD1 4.29Å; R459-I463 PolarHBondContact O-N 3.5Å
460	M	89	Confident	85.8	Confident	17 Å²	17	76.8 Å²	76.8	8%	0.084	36%	0.357	C	S	.	.	H	α-helix	trans	-66.3	-25.1	174.1	-69.9	-173.9	-67.1	0	0	113.3	F409 A414 L419 L456 E457 Q458 P464	F409-M460 HydrophobicContact CD1-SD 4.23Å; F409-M460 HydrophobicContact CE1-CE 4.35Å; F409-M460 HydrophobicContact CE1-SD 3.81Å; A414-M460 HydrophobicContact CB-CG 4.31Å; A414-M460 HydrophobicContact CB-SD 3.86Å; A414-M460 WeakPolarHBondContact O-CG 3.49Å; A414-M460 VanDerWaalsContact O-SD 3.4Å; L419-M460 HydrophobicContact CD1-CE 3.52Å; L419-M460 HydrophobicContact CG-CE 3.9Å; L456-M460 WeakPolarHBondContact O-CG 3.4Å; L456-M460 PolarHBondContact O-N 2.98Å; L456-M460 VanDerWaalsContact O-N 3.1Å; E457-M460 HydrophobicContact CG-CE 4.24Å; E457-M460 PolarHBondContact O-N 3.24Å; Q458-M460 VanDerWaalsContact C-N 3.29Å; Q458-M460 PolarHBondContact O-N 2.92Å; M460-P464 WeakPolarHBondContact O-CD 3.43Å; M460-P464 WeakPolarHBondContact O-CG 3.41Å
461	K	87.8	Confident	84.9	Confident	135 Å²	135	77.9 Å²	77.9	59%	0.587	37%	0.366	S	S	*	.	H	α-helix	trans	-82.3	-39.8	174.6	-68.3	169.7	-174.6	171.3	0	112	E457 Q458 R459 S465	E457-K461 WeakPolarHBondContact O-CG 3.03Å; E457-K461 PolarHBondContact O-N 3.49Å; Q458-K461 WeakPolarHBondContact O-CA 3.44Å; Q458-K461 WeakPolarHBondContact O-CB 3.43Å; Q458-K461 PolarHBondContact O-N 3.31Å; R459-K461 VanDerWaalsContact C-N 3.27Å; R459-K461 PolarHBondContact O-N 3.26Å; K461-S465 PolarHBondContact O-N 3.32Å
462	D	85	Confident	84.3	Confident	65 Å²	65	80.5 Å²	80.5	35%	0.348	38%	0.381	S	S	.	.	H	α-helix	trans	-68.7	-45.4	-172.7	-69.4	-21.3	0	0	0	112.5	Q458 R459 S465 I466	Q458-D462 PolarHBondContact NE2-OD1 3.01Å; Q458-D462 PolarHBondContact NE2-OD2 3.47Å; Q458-D462 PolarHBondContact O-N 3.47Å; R459-D462 PolarHBondContact O-N 3.1Å; D462-S465 WeakPolarHBondContact O-CA 3.21Å; D462-S465 WeakPolarHBondContact O-CB 3.33Å; D462-S465 PolarHBondContact O-N 2.88Å; D462-S465 VanDerWaalsContact O-N 3.11Å; D462-S465 PolarHBondContact O-OG 3.05Å; D462-I466 WeakPolarHBondContact O-CG1 3.3Å; D462-I466 PolarHBondContact O-N 3.24Å
463	I	75.6	Confident	83.6	Confident	41 Å²	41	81.8 Å²	81.8	21%	0.21	39%	0.392	C	S	.	.	H	α-helix	trans	-70.2	-43.8	-171.3	-68.3	-174	0	0	0	113.4	E411 Y413 R459 S465 I466 R467	E411-I463 VanDerWaalsContact C-CD1 3.44Å; E411-I463 WeakPolarHBondContact O-CD1 3.49Å; E411-I463 WeakPolarHBondContact O-CG2 3.26Å; Y413-I463 HydrophobicContact CD1-CG2 4.3Å; Y413-I463 HydrophobicContact CE1-CG2 3.9Å; R459-I463 HydrophobicContact CG-CD1 4.29Å; R459-I463 PolarHBondContact O-N 3.5Å; I463-S465 PolarHBondContact O-N 2.91Å; I463-I466 PolarHBondContact O-N 2.86Å; I463-R467 HydrophobicContact CG2-CG 4.4Å; I463-R467 WeakPolarHBondContact O-CB 3.3Å; I463-R467 WeakPolarHBondContact O-CG 3.38Å; I463-R467 PolarHBondContact O-N 3.24Å
464	P	71.2	Confident	83.3	Confident	68 Å²	68	81.6 Å²	81.6	44%	0.442	40%	0.398	S	S	.	.	H	α-helix	trans	-56.6	-36.1	168.6	-27.3	36.8	0	0	0	112.7	M460 R468	M460-P464 WeakPolarHBondContact O-CD 3.43Å; M460-P464 WeakPolarHBondContact O-CG 3.41Å; P464-R468 VanDerWaalsContact O-CB 3.26Å; P464-R468 WeakPolarHBondContact O-CB 3.41Å; P464-R468 PolarHBondContact O-N 3.27Å
465	S	69.8	Low	82.9	Confident	47 Å²	47	81 Å²	81	33%	0.329	39%	0.39	S	S	.	.	H	α-helix	trans	-68.1	-41.7	177.2	89.8	0	0	0	0	112.5	K461 D462 I463 R468 K469	K461-S465 PolarHBondContact O-N 3.32Å; D462-S465 WeakPolarHBondContact O-CA 3.21Å; D462-S465 WeakPolarHBondContact O-CB 3.33Å; D462-S465 PolarHBondContact O-N 2.88Å; D462-S465 VanDerWaalsContact O-N 3.11Å; D462-S465 PolarHBondContact O-OG 3.05Å; I463-S465 PolarHBondContact O-N 2.91Å; S465-R468 PolarHBondContact O-N 3.45Å; S465-K469 VanDerWaalsContact O-CG 3.3Å; S465-K469 WeakPolarHBondContact O-CG 3.41Å; S465-K469 PolarHBondContact O-N 2.69Å
466	I	74.4	Confident	82.6	Confident	87 Å²	87	84.4 Å²	84.4	45%	0.446	41%	0.405	S	S	.	.	H	α-helix	trans	-67.5	-46.3	177.8	-67.5	164.3	0	0	0	109.7	D462 I463 R468 K469 M470	D462-I466 WeakPolarHBondContact O-CG1 3.3Å; D462-I466 PolarHBondContact O-N 3.24Å; I463-I466 PolarHBondContact O-N 2.86Å; I466-R468 PolarHBondContact O-N 2.91Å; I466-K469 PolarHBondContact O-N 2.69Å; I466-M470 HydrophobicContact CG2-CG 4.42Å; I466-M470 HydrophobicContact CG2-SD 4.15Å; I466-M470 WeakPolarHBondContact O-CG 3.28Å; I466-M470 PolarHBondContact O-N 2.85Å
467	R	72.8	Confident	82.2	Confident	123 Å²	123	93 Å²	93	46%	0.464	44%	0.437	S	S	.	.	H	α-helix	trans	-60.6	-43.5	176.4	-79.1	-138	-172.2	123.1	133.3	112.3	Y413 I463 M470 Q471	Y413-R467 PolarHBondContact OH-NH1 3.3Å; I463-R467 HydrophobicContact CG2-CG 4.4Å; I463-R467 WeakPolarHBondContact O-CB 3.3Å; I463-R467 WeakPolarHBondContact O-CG 3.38Å; I463-R467 PolarHBondContact O-N 3.24Å; R467-M470 PolarHBondContact O-N 3.05Å; R467-Q471 WeakPolarHBondContact O-CB 3.39Å; R467-Q471 PolarHBondContact O-N 3Å
468	R	74.2	Confident	81.9	Confident	184 Å²	184	95.1 Å²	95.1	69%	0.694	45%	0.451	S	S	*	.	H	α-helix	trans	-59.3	-48.5	174.9	-176.1	177.3	-78.2	176.7	-5	110.4	P464 S465 I466 M470 Q471 D472	P464-R468 VanDerWaalsContact O-CB 3.26Å; P464-R468 WeakPolarHBondContact O-CB 3.41Å; P464-R468 PolarHBondContact O-N 3.27Å; S465-R468 PolarHBondContact O-N 3.45Å; I466-R468 PolarHBondContact O-N 2.91Å; R468-M470 VanDerWaalsContact C-N 3.34Å; R468-M470 PolarHBondContact O-N 3.48Å; R468-Q471 PolarHBondContact O-N 3.26Å; R468-D472 WeakPolarHBondContact CG-OD2 3.46Å; R468-D472 WeakPolarHBondContact O-CB 3.35Å; R468-D472 PolarHBondContact O-N 2.81Å
469	K	76.4	Confident	81.6	Confident	147 Å²	147	94.7 Å²	94.7	64%	0.639	46%	0.463	S	S	*	.	H	α-helix	trans	-59	-40.3	175.5	-72.3	172.7	-179.8	178.3	0	113.4	S465 I466 S473	S465-K469 VanDerWaalsContact O-CG 3.3Å; S465-K469 WeakPolarHBondContact O-CG 3.41Å; S465-K469 PolarHBondContact O-N 2.69Å; I466-K469 PolarHBondContact O-N 2.69Å; K469-S473 WeakPolarHBondContact O-CB 3.49Å; K469-S473 PolarHBondContact O-N 3.18Å
470	M	78.7	Confident	81.4	Confident	133 Å²	133	99.5 Å²	99.5	66%	0.655	49%	0.492	S	S	*	.	H	α-helix	trans	-67.7	-41.5	176.2	-72.7	-178.2	71.9	0	0	111.9	I466 R467 R468 S473 L474	I466-M470 HydrophobicContact CG2-CG 4.42Å; I466-M470 HydrophobicContact CG2-SD 4.15Å; I466-M470 WeakPolarHBondContact O-CG 3.28Å; I466-M470 PolarHBondContact O-N 2.85Å; R467-M470 PolarHBondContact O-N 3.05Å; R468-M470 VanDerWaalsContact C-N 3.34Å; R468-M470 PolarHBondContact O-N 3.48Å; M470-S473 PolarHBondContact O-N 2.84Å; M470-L474 WeakPolarHBondContact O-CB 3.4Å; M470-L474 PolarHBondContact O-N 3.28Å
471	Q	78.8	Confident	80.9	Confident	103 Å²	103	105 Å²	105	48%	0.481	54%	0.54	S	S	.	.	H	α-helix	trans	-66.9	-42.8	177.6	-167.5	68.2	29.6	0	0	111.2	R467 R468 L474 N475	R467-Q471 WeakPolarHBondContact O-CB 3.39Å; R467-Q471 PolarHBondContact O-N 3Å; R468-Q471 PolarHBondContact O-N 3.26Å; Q471-L474 PolarHBondContact O-N 3.49Å; Q471-N475 WeakPolarHBondContact O-CB 3.34Å; Q471-N475 PolarHBondContact O-N 2.92Å; Q471-N475 PolarHBondContact O-ND2 3.42Å
472	D	83.4	Confident	80.5	Confident	77 Å²	77	103.5 Å²	103.5	41%	0.412	54%	0.538	S	S	.	.	H	α-helix	trans	-62.3	-45	176.3	-64.3	-20.4	0	0	0	110.3	R468 L474 N475 E476	R468-D472 WeakPolarHBondContact CG-OD2 3.46Å; R468-D472 WeakPolarHBondContact O-CB 3.35Å; R468-D472 PolarHBondContact O-N 2.81Å; D472-L474 VanDerWaalsContact C-N 3.34Å; D472-L474 PolarHBondContact O-N 3.23Å; D472-N475 PolarHBondContact O-N 3.35Å; D472-E476 WeakPolarHBondContact O-CG 3.38Å; D472-E476 PolarHBondContact O-N 2.85Å
473	S	83.8	Confident	80.3	Confident	47 Å²	47	105.5 Å²	105.5	33%	0.329	55%	0.548	S	S	.	.	H	α-helix	trans	-63.4	-37	175	-174.1	0	0	0	0	113.1	K469 M470 R477	K469-S473 WeakPolarHBondContact O-CB 3.49Å; K469-S473 PolarHBondContact O-N 3.18Å; M470-S473 PolarHBondContact O-N 2.84Å; S473-R477 VanDerWaalsContact O-CG 3.3Å; S473-R477 WeakPolarHBondContact O-CG 3.49Å; S473-R477 PolarHBondContact O-N 3.35Å
474	L	87.4	Confident	80.6	Confident	86 Å²	86	109.1 Å²	109.1	45%	0.45	57%	0.566	S	S	.	*	H	α-helix	trans	-66.7	-44.4	174.4	-178.6	65	0	0	0	111.1	M470 Q471 D472 R477 L478	M470-L474 WeakPolarHBondContact O-CB 3.4Å; M470-L474 PolarHBondContact O-N 3.28Å; Q471-L474 PolarHBondContact O-N 3.49Å; D472-L474 VanDerWaalsContact C-N 3.34Å; D472-L474 PolarHBondContact O-N 3.23Å; L474-R477 PolarHBondContact O-N 3.32Å; L474-L478 HydrophobicContact CD1-CD1 4.47Å; L474-L478 HydrophobicContact CG-CD1 4.09Å; L474-L478 WeakPolarHBondContact O-CB 3.31Å; L474-L478 VanDerWaalsContact O-CG 3.31Å; L474-L478 WeakPolarHBondContact O-CG 3.25Å; L474-L478 PolarHBondContact O-N 3.24Å
475	N	87.4	Confident	81.1	Confident	79 Å²	79	111.5 Å²	111.5	42%	0.422	57%	0.574	S	S	.	*	H	α-helix	trans	-63.1	-40.9	177.5	-69	-18.8	0	0	0	111.5	Q471 D472 L478 A479	Q471-N475 WeakPolarHBondContact O-CB 3.34Å; Q471-N475 PolarHBondContact O-N 2.92Å; Q471-N475 PolarHBondContact O-ND2 3.42Å; D472-N475 PolarHBondContact O-N 3.35Å; N475-L478 PolarHBondContact O-N 2.97Å; N475-A479 WeakPolarHBondContact O-CB 3.42Å; N475-A479 PolarHBondContact O-N 3.07Å
476	E	87.5	Confident	81.8	Confident	126 Å²	126	115.6 Å²	115.6	59%	0.589	59%	0.589	S	S	*	*	H	α-helix	trans	-62.5	-41.3	173.6	-77	176.8	177.4	0	0	112.1	D472 A479 N480	D472-E476 WeakPolarHBondContact O-CG 3.38Å; D472-E476 PolarHBondContact O-N 2.85Å; E476-A479 PolarHBondContact O-N 2.9Å; E476-N480 WeakPolarHBondContact O-CB 3.36Å; E476-N480 VanDerWaalsContact O-CG 3.31Å; E476-N480 PolarHBondContact O-N 3.34Å; E476-N480 PolarHBondContact O-ND2 2.87Å
477	R	86.3	Confident	82.3	Confident	182 Å²	182	117.5 Å²	117.5	69%	0.687	60%	0.598	S	S	*	*	H	α-helix	trans	-66	-38.2	175.3	-74	175.9	-173.8	-160.5	1.5	112.4	S473 L474 A479 N480 A481	S473-R477 VanDerWaalsContact O-CG 3.3Å; S473-R477 WeakPolarHBondContact O-CG 3.49Å; S473-R477 PolarHBondContact O-N 3.35Å; L474-R477 PolarHBondContact O-N 3.32Å; R477-A479 VanDerWaalsContact C-N 3.35Å; R477-N480 PolarHBondContact O-N 3.25Å; R477-A481 WeakPolarHBondContact O-CB 3.46Å; R477-A481 PolarHBondContact O-N 2.86Å
478	L	87.2	Confident	83	Confident	114 Å²	114	117.1 Å²	117.1	60%	0.597	61%	0.608	S	S	*	*	H	α-helix	trans	-70.8	-29.4	175.5	-71.5	170.3	0	0	0	112.5	L474 N475	L474-L478 HydrophobicContact CD1-CD1 4.47Å; L474-L478 HydrophobicContact CG-CD1 4.09Å; L474-L478 WeakPolarHBondContact O-CB 3.31Å; L474-L478 VanDerWaalsContact O-CG 3.31Å; L474-L478 WeakPolarHBondContact O-CG 3.25Å; L474-L478 PolarHBondContact O-N 3.24Å; N475-L478 PolarHBondContact O-N 2.97Å
479	A	86.6	Confident	83.7	Confident	82 Å²	82	111.9 Å²	111.9	68%	0.678	60%	0.601	S	S	*	*	H	α-helix	trans	-78.4	-24.4	175.7	0	0	0	0	0	113.3	N475 E476 R477	N475-A479 WeakPolarHBondContact O-CB 3.42Å; N475-A479 PolarHBondContact O-N 3.07Å; E476-A479 PolarHBondContact O-N 2.9Å; R477-A479 VanDerWaalsContact C-N 3.35Å
480	N	86	Confident	84.3	Confident	146 Å²	146	109 Å²	109	78%	0.781	60%	0.598	S	S	*	*	H	α-helix	trans	-89.8	-12.2	177.1	-73	-41.1	0	0	0	113.9	E476 R477	E476-N480 WeakPolarHBondContact O-CB 3.36Å; E476-N480 VanDerWaalsContact O-CG 3.31Å; E476-N480 PolarHBondContact O-N 3.34Å; E476-N480 PolarHBondContact O-ND2 2.87Å; R477-N480 PolarHBondContact O-N 3.25Å
481	A	78.4	Confident	84.8	Confident	133 Å²	133	106.8 Å²	106.8	100%	1.099	59%	0.593	S	S	*	*			trans	-94.7	0	174.6	0	0	0	0	0	110.1	R477	R477-A481 WeakPolarHBondContact O-CB 3.46Å; R477-A481 PolarHBondContact O-N 2.86Å

Retrieved 481 of 481 residues in 145 ms (Link to these results)

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