A0A060X6I9_ONCMY Loading...

Methylmalonyl-CoA mutase, mitochondrial

Catalyzes the reversible isomerization of methylmalonyl-CoA (MMCoA) (generated from branched-chain amino acid metabolism and degradation of dietary odd chain fatty acids and cholesterol) to succinyl-CoA (3-carboxypropionyl-CoA), a key intermediate of the tricarboxylic acid cycle.

AlphaFold DB , UniProt , Accession A0A060X6I9, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene mmut, Length 761 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	35	Very low	26.9	Very low	242 Å²	242	148.2 Å²	148.2	100%	1.192	82%	0.818	S	S	*	*				0	76.9	0	-70.4	175.4	174.8	0	0	106.5
2	L	24.1	Very low	26.7	Very low	158 Å²	158	142.9 Å²	142.9	83%	0.827	81%	0.808	S	S	*	*				64	121.2	65	-107.9	164.5	0	0	0	113.3
3	T	27.3	Very low	26.6	Very low	127 Å²	127	139.3 Å²	139.3	78%	0.779	81%	0.807	S	S	*	*			trans	86	141	159.6	66	0	0	0	0	118.4
4	A	28	Very low	26.5	Very low	85 Å²	85	146.6 Å²	146.6	70%	0.702	82%	0.815	S	S	*	*			cis	162.4	137	-26.1	0	0	0	0	0	104.6
5	Q	27.6	Very low	26.5	Very low	200 Å²	200	151.5 Å²	151.5	94%	0.935	82%	0.815	S	S	*	*			trans	-159.7	120.6	133	-113.1	169.1	1.7	0	0	111.5
6	R	28.3	Very low	26.5	Very low	227 Å²	227	150.4 Å²	150.4	86%	0.857	81%	0.809	S	S	*	*			trans	-73.8	173	167.7	-58.5	167.3	161.8	-173.3	-4.5	108
7	T	27.2	Very low	26.5	Very low	115 Å²	115	151.4 Å²	151.4	71%	0.706	81%	0.812	S	S	*	*			cis	-178.6	155.2	37.4	-20	0	0	0	0	110.5
8	C	23.6	Very low	26.4	Very low	111 Å²	111	147.6 Å²	147.6	75%	0.75	82%	0.815	S	S	*	*			trans	73.5	148.3	136.8	-84.9	0	0	0	0	123.3
9	V	25.5	Very low	26.2	Very low	121 Å²	121	144.9 Å²	144.9	73%	0.733	81%	0.814	S	S	*	*			cis	-177.9	143.8	-18.3	127.4	0	0	0	0	108.5
10	A	25.5	Very low	26.8	Very low	78 Å²	78	143.5 Å²	143.5	65%	0.645	81%	0.811	S	S	*	*			trans	49.9	139.4	147.7	0	0	0	0	0	124
11	L	24	Very low	26.7	Very low	166 Å²	166	142.7 Å²	142.7	87%	0.869	81%	0.813	S	S	*	*				-178.8	133.6	91.9	-110.7	114.4	0	0	0	115.1
12	A	24.9	Very low	26.2	Very low	85 Å²	85	136.1 Å²	136.1	70%	0.702	79%	0.791	S	S	*	*			trans	58.2	106.5	136.2	0	0	0	0	0	125.7
13	A	25.2	Very low	26.3	Very low	96 Å²	96	133.1 Å²	133.1	79%	0.793	78%	0.783	S	S	*	*				28.2	129.5	118.9	0	0	0	0	0	124.1
14	R	25.2	Very low	26.3	Very low	242 Å²	242	136.3 Å²	136.3	91%	0.913	79%	0.789	S	S	*	*				178.7	114.4	116.4	-100.8	178.3	-178.7	-162.3	1.5	114.6
15	R	26.5	Very low	26.1	Very low	219 Å²	219	136.1 Å²	136.1	83%	0.826	80%	0.795	S	S	*	*				44.5	119.9	121.5	-99.4	-174.3	-164.7	-155.7	4.1	121.3
16	L	26.4	Very low	25.8	Very low	135 Å²	135	136 Å²	136	71%	0.707	79%	0.792	S	S	*	*				162.1	133.5	93.1	-93.3	151.9	0	0	0	115.4
17	L	26.6	Very low	25.6	Very low	166 Å²	166	131.6 Å²	131.6	87%	0.869	78%	0.784	S	S	*	*			trans	82.8	120.6	141.6	-62.9	163.6	0	0	0	122.8
18	G	24.7	Very low	25.5	Very low	83 Å²	83	132.7 Å²	132.7	86%	0.856	79%	0.786	S	S	*	*			trans	146.1	75	149.8	0	0	0	0	0	116.4
19	A	23.3	Very low	25.5	Very low	97 Å²	97	134.4 Å²	134.4	80%	0.802	79%	0.793	S	S	*	*			trans	-97.8	170.2	165.6	0	0	0	0	0	109
20	P	36.8	Very low	25.5	Very low	116 Å²	116	139.1 Å²	139.1	75%	0.753	80%	0.798	S	S	*	*			cis	-150.1	170.2	32.2	40.7	-18.6	0	0	0	120.1
21	C	24.2	Very low	25.5	Very low	128 Å²	128	140.4 Å²	140.4	87%	0.865	80%	0.802	S	S	*	*			trans	61.4	137	147.7	-74.2	0	0	0	0	119.6
22	S	26.2	Very low	25.4	Very low	103 Å²	103	141.6 Å²	141.6	72%	0.72	80%	0.803	S	S	*	*			cis	-160.6	129.2	34.8	50.5	0	0	0	0	114
23	S	25.5	Very low	25.5	Very low	95 Å²	95	143.3 Å²	143.3	66%	0.664	81%	0.805	S	S	*	*			trans	46.3	114.2	136	62.4	0	0	0	0	124.5
24	H	26.5	Very low	25.5	Very low	195 Å²	195	147.7 Å²	147.7	90%	0.903	81%	0.809	S	S	*	*				77	121.8	122.2	-71.2	73.8	0	0	0	121.6
25	G	23.9	Very low	25.6	Very low	81 Å²	81	141.4 Å²	141.4	84%	0.835	80%	0.801	S	S	*	*			trans	158.2	89.9	149.6	0	0	0	0	0	115
26	F	22.2	Very low	25.7	Very low	196 Å²	196	140.8 Å²	140.8	86%	0.86	80%	0.799	S	S	*	*			trans	-68.9	148.6	179.5	-97.9	-105.1	0	0	0	114.6
27	I	24.8	Very low	25.9	Very low	136 Å²	136	142 Å²	142	70%	0.697	80%	0.801	S	S	*	*			trans	68.3	110.7	145.5	-57.3	156.7	0	0	0	118.9
28	N	23.5	Very low	26.3	Very low	138 Å²	138	140.7 Å²	140.7	74%	0.738	79%	0.789	S	S	*	*				-170.6	104.8	106.3	-130.2	-19.5	0	0	0	111.2	R30	N28-R30 PolarHBondContact O-N 2.88Å
29	T	24.5	Very low	26.8	Very low	146 Å²	146	145.8 Å²	145.8	90%	0.896	78%	0.782	S	S	*	*			trans	-78.3	99.3	170.5	40.3	0	0	0	0	109.6
30	R	25.6	Very low	27.5	Very low	221 Å²	221	143.5 Å²	143.5	83%	0.834	76%	0.758	S	S	*	*			trans	-99.5	128.4	161.9	-88.7	-173.9	176	-173.5	-0.9	109.8	N28 Q32	N28-R30 PolarHBondContact O-N 2.88Å; R30-Q32 PolarHBondContact O-N 2.91Å
31	S	24.5	Very low	27.5	Very low	105 Å²	105	141 Å²	141	73%	0.734	75%	0.747	S	S	*	*			trans	-49.7	114.4	174.8	55.8	0	0	0	0	112.2	T33	S31-T33 PolarHBondContact O-N 3.34Å
32	Q	23.6	Very low	28	Very low	190 Å²	190	140.8 Å²	140.8	89%	0.888	74%	0.742	S	S	*	*			trans	-77.8	94.6	157.4	-76.8	-176.7	-11.2	0	0	107.6	R30	R30-Q32 PolarHBondContact O-N 2.91Å
33	T	25.5	Very low	28.3	Very low	122 Å²	122	140.4 Å²	140.4	75%	0.748	74%	0.737	S	S	*	*			trans	-70.8	123.4	160.4	33.4	0	0	0	0	108	S31 S35	S31-T33 PolarHBondContact O-N 3.34Å; T33-S35 PolarHBondContact O-N 3.42Å
34	H	26.3	Very low	29.1	Very low	188 Å²	188	138.6 Å²	138.6	87%	0.87	72%	0.724	S	S	*	*			trans	-59.4	98.9	176.3	-75.3	-72.9	0	0	0	111.2	R36	H34-R36 PolarHBondContact O-N 2.99Å
35	S	26.6	Very low	29.7	Very low	109 Å²	109	138 Å²	138	76%	0.762	72%	0.721	S	S	*	*			trans	-83.2	90.2	156.6	54.2	0	0	0	0	108.2	T33 Q37	T33-S35 PolarHBondContact O-N 3.42Å; S35-Q37 VanDerWaalsContact C-N 3.33Å; S35-Q37 PolarHBondContact O-N 3.19Å
36	R	28.6	Very low	31	Very low	206 Å²	206	139.4 Å²	139.4	78%	0.777	71%	0.71	S	S	*	*			trans	-64.4	102.2	160	-82.3	-175.1	176	-169.3	-0.8	106.4	H34 F38	H34-R36 PolarHBondContact O-N 2.99Å; R36-F38 HydrophobicContact CB-CE2 4.34Å; R36-F38 WeakPolarHBondContact O-CD2 3.48Å; R36-F38 PolarHBondContact O-N 3.05Å
37	Q	30.9	Very low	32.8	Very low	161 Å²	161	138.9 Å²	138.9	75%	0.752	71%	0.71	S	S	*	*			trans	-62.7	102.9	166.3	-82.1	178	-24	0	0	107.5	S35 R39	S35-Q37 VanDerWaalsContact C-N 3.33Å; S35-Q37 PolarHBondContact O-N 3.19Å; Q37-R39 PolarHBondContact O-N 2.82Å; Q37-R39 VanDerWaalsContact O-N 3.07Å
38	F	34.8	Very low	35.2	Very low	139 Å²	139	134.3 Å²	134.3	61%	0.61	69%	0.688	S	S	*	*			trans	-70	97.5	171.9	-70.4	-87.2	0	0	0	108.2	R36	R36-F38 HydrophobicContact CB-CE2 4.34Å; R36-F38 WeakPolarHBondContact O-CD2 3.48Å; R36-F38 PolarHBondContact O-N 3.05Å
39	R	34.2	Very low	38.2	Very low	190 Å²	190	133.8 Å²	133.8	72%	0.717	69%	0.686	S	S	*	*			trans	-75.2	132.5	173.6	-69.1	-176.1	177.9	-165.5	-1.4	109.4	Q37 A41	Q37-R39 PolarHBondContact O-N 2.82Å; Q37-R39 VanDerWaalsContact O-N 3.07Å; R39-A41 PolarHBondContact O-N 2.7Å
40	T	38.2	Very low	41.6	Very low	48 Å²	48	128 Å²	128	29%	0.294	65%	0.649	S	S	.	*	S	Bend	trans	-75.4	-0.1	174.1	38.2	0	0	0	0	114	R478 E481	T40-R478 HydrophobicContact CG2-CB 4.31Å; T40-R478 HydrophobicContact CG2-CG 3.74Å; T40-E481 WeakPolarHBondContact CB-OE2 3.47Å; T40-E481 WeakPolarHBondContact CG2-OE2 3.33Å; T40-E481 PolarHBondContact OG1-OE1 3.2Å; T40-E481 PolarHBondContact OG1-OE2 3.41Å
41	A	37.6	Very low	44.9	Very low	63 Å²	63	121 Å²	121	52%	0.521	63%	0.626	S	S	.	*			trans	-133.5	109.5	164.6	0	0	0	0	0	107.9	R39 P43	R39-A41 PolarHBondContact O-N 2.7Å; A41-P43 WeakPolarHBondContact O-CD 3.4Å
42	T	34.2	Very low	48.4	Very low	125 Å²	125	121 Å²	121	77%	0.767	62%	0.623	S	S	*	*			trans	-68.8	119.7	153	-51.6	0	0	0	0	104.5	C44	T42-C44 VanDerWaalsContact C-N 3.25Å; T42-C44 PolarHBondContact O-N 2.85Å
43	P	33.6	Very low	51.9	Low	95 Å²	95	118.3 Å²	118.3	62%	0.617	61%	0.611	S	S	*	*			trans	-63.7	98.7	169.8	26.2	-29.7	0	0	0	106.2	A41 Q45	A41-P43 WeakPolarHBondContact O-CD 3.4Å; P43-Q45 PolarHBondContact O-N 2.74Å
44	C	40.9	Very low	55.3	Low	57 Å²	57	115.5 Å²	115.5	39%	0.385	59%	0.586	S	S	.	*			trans	-70.6	83	168.4	-176.4	0	0	0	0	105.8	T42 D46	T42-C44 VanDerWaalsContact C-N 3.25Å; T42-C44 PolarHBondContact O-N 2.85Å; C44-D46 PolarHBondContact O-N 2.82Å; C44-D46 VanDerWaalsContact SG-CG 3.57Å; C44-D46 PolarHBondContact SG-OD2 2.66Å
45	Q	40.5	Very low	58.7	Low	181 Å²	181	107.6 Å²	107.6	85%	0.846	55%	0.554	S	S	*	*			trans	-80.2	41.5	158.1	-73.8	-171.8	-34.5	0	0	109.3	P43 E47	P43-Q45 PolarHBondContact O-N 2.74Å; Q45-E47 PolarHBondContact O-N 2.71Å
46	D	50.9	Low	62	Low	112 Å²	112	106.4 Å²	106.4	60%	0.599	55%	0.545	S	S	*	.			trans	-74.8	116	163.1	-65.5	-30.8	0	0	0	105.2	C44 V48	C44-D46 PolarHBondContact O-N 2.82Å; C44-D46 VanDerWaalsContact SG-CG 3.57Å; C44-D46 PolarHBondContact SG-OD2 2.66Å; D46-V48 WeakPolarHBondContact O-CG2 3.42Å; D46-V48 PolarHBondContact O-N 3.39Å; D46-V48 VanDerWaalsContact O-N 3.1Å
47	E	59.3	Low	65.3	Low	184 Å²	184	101.5 Å²	101.5	86%	0.86	53%	0.534	S	S	*	.			trans	-54.2	117.5	173.6	-77.6	-179.9	157.2	0	0	108.3	Q45 D49	Q45-E47 PolarHBondContact O-N 2.71Å; E47-D49 PolarHBondContact O-N 3.47Å
48	V	75.9	Confident	68.5	Low	40 Å²	40	94 Å²	94	24%	0.242	50%	0.5	C	S	.	.			trans	-93.7	100.5	179.1	178.5	0	0	0	0	108.3	D46 L50 I71 N79 K81	D46-V48 WeakPolarHBondContact O-CG2 3.42Å; D46-V48 PolarHBondContact O-N 3.39Å; D46-V48 VanDerWaalsContact O-N 3.1Å; V48-L50 PolarHBondContact O-N 3.07Å; V48-I71 HydrophobicContact CB-CD1 4.27Å; V48-I71 HydrophobicContact CG1-CD1 4.43Å; V48-N79 HydrophobicContact CG2-CB 3.69Å; V48-K81 HydrophobicContact CG1-CD 3.57Å; V48-K81 HydrophobicContact CG1-CG 3.37Å
49	D	87	Confident	71.5	Confident	128 Å²	128	92.8 Å²	92.8	68%	0.684	49%	0.494	S	S	*	.	P	Polyproline II helix	trans	-69.3	122.5	-178.9	-72.6	-29.5	0	0	0	112.1	E47 K81	E47-D49 PolarHBondContact O-N 3.47Å; D49-K81 WeakPolarHBondContact O-CD 3.48Å; D49-K81 PolarHBondContact O-NZ 3.43Å
50	L	94.4	Very high	74.5	Confident	23 Å²	23	92.1 Å²	92.1	12%	0.12	50%	0.497	C	S	.	.	P	Polyproline II helix	trans	-86.9	145.2	170.7	-63.2	173.3	0	0	0	110.1	V48 P52 W54 A55 P67 E68 I71 K81 P82	V48-L50 PolarHBondContact O-N 3.07Å; L50-P52 WeakPolarHBondContact O-CD 3.35Å; L50-P52 VanDerWaalsContact O-N 3.13Å; L50-W54 HydrophobicContact CD1-CZ3 4.1Å; L50-W54 HydrophobicContact CD2-CZ3 4.19Å; L50-A55 HydrophobicContact CB-CB 4.22Å; L50-P67 HydrophobicContact CD1-CB 4.02Å; L50-E68 HydrophobicContact CD1-CB 4.49Å; L50-E68 HydrophobicContact CD1-CG 3.83Å; L50-I71 HydrophobicContact CD2-CD1 4.48Å; L50-I71 HydrophobicContact CD2-CG1 4.36Å; L50-K81 HydrophobicContact CD2-CB 4.34Å; L50-K81 HydrophobicContact CD2-CD 4.12Å; L50-K81 HydrophobicContact CD2-CG 4.17Å; L50-P82 HydrophobicContact CD2-CG 4.02Å
51	H	96.1	Very high	77.4	Confident	74 Å²	74	97.6 Å²	97.6	34%	0.343	52%	0.519	S	S	.	.	P	Polyproline II helix	trans	-58.4	120.2	177.7	-172.9	-82.5	0	0	0	110.3	E53 W54 A55 T85	H51-E53 VanDerWaalsContact C-N 3.33Å; H51-E53 PolarHBondContact O-N 3.42Å; H51-W54 HydrophobicContact CB-CB 4.13Å; H51-W54 PolarHBondContact O-N 3.1Å; H51-A55 PolarHBondContact O-N 3.49Å; H51-T85 HydrophobicContact CB-CG2 4.11Å
52	P	96.2	Very high	80.2	Confident	105 Å²	105	97.2 Å²	97.2	68%	0.682	51%	0.508	S	S	*	.	H	α-helix	trans	-58.2	-41.1	-165.9	-28.6	34.5	0	0	0	114.2	L50 A55 S56	L50-P52 WeakPolarHBondContact O-CD 3.35Å; L50-P52 VanDerWaalsContact O-N 3.13Å; P52-A55 PolarHBondContact O-N 3.1Å; P52-S56 PolarHBondContact O-N 3.37Å
53	E	97.1	Very high	83.2	Confident	135 Å²	135	100.7 Å²	100.7	63%	0.631	51%	0.512	S	S	*	.	H	α-helix	trans	-65.7	-42	177.8	-172.2	-179.3	-179.6	0	0	111.9	H51 S56 L57	H51-E53 VanDerWaalsContact C-N 3.33Å; H51-E53 PolarHBondContact O-N 3.42Å; E53-S56 WeakPolarHBondContact O-CB 3.38Å; E53-S56 PolarHBondContact O-N 3.03Å; E53-L57 WeakPolarHBondContact O-CG 3.18Å; E53-L57 PolarHBondContact O-N 2.89Å; E53-L57 VanDerWaalsContact O-N 3.09Å
54	W	97.7	Very high	86.2	Confident	62 Å²	62	98.4 Å²	98.4	24%	0.235	51%	0.506	C	S	.	.	H	α-helix	trans	-67.7	-42.6	178.5	175.6	88.9	0	0	0	110.5	L50 H51 S56 L57 A58 P67 L70 P82 V83	L50-W54 HydrophobicContact CD1-CZ3 4.1Å; L50-W54 HydrophobicContact CD2-CZ3 4.19Å; H51-W54 HydrophobicContact CB-CB 4.13Å; H51-W54 PolarHBondContact O-N 3.1Å; W54-S56 VanDerWaalsContact C-N 3.29Å; W54-S56 PolarHBondContact O-N 3.11Å; W54-L57 PolarHBondContact O-N 3.19Å; W54-L57 VanDerWaalsContact O-N 3.16Å; W54-A58 HydrophobicContact CD2-CB 4.42Å; W54-A58 HydrophobicContact CE3-CB 4.39Å; W54-A58 HydrophobicContact CH2-CB 3.93Å; W54-A58 HydrophobicContact CZ2-CB 4.02Å; W54-A58 HydrophobicContact CZ3-CB 4.15Å; W54-A58 WeakPolarHBondContact O-CB 3.45Å; W54-A58 PolarHBondContact O-N 3.09Å; W54-P67 HydrophobicContact CH2-CB 4.5Å; W54-P67 HydrophobicContact CZ3-CB 4.09Å; W54-L70 HydrophobicContact CH2-CD1 4.21Å; W54-P82 HydrophobicContact CH2-CB 3.68Å; W54-P82 HydrophobicContact CH2-CG 3.18Å; W54-P82 HydrophobicContact CZ2-CB 3.99Å; W54-P82 HydrophobicContact CZ2-CG 3.95Å; W54-P82 HydrophobicContact CZ3-CG 3.65Å; W54-V83 HydrophobicContact CB-CG1 4.23Å; W54-V83 HydrophobicContact CD2-CB 4.06Å; W54-V83 HydrophobicContact CD2-CG1 3.69Å; W54-V83 HydrophobicContact CE3-CG1 4.23Å; W54-V83 HydrophobicContact CG-CB 4.3Å; W54-V83 HydrophobicContact CG-CG1 3.64Å; W54-V83 HydrophobicContact CZ2-CB 4.27Å
55	A	96.9	Very high	88.7	Confident	22 Å²	22	102.5 Å²	102.5	18%	0.182	52%	0.517	C	S	.	.	H	α-helix	trans	-60.2	-40.5	177.1	0	0	0	0	0	111.4	L50 H51 P52 A58 K59 P67	L50-A55 HydrophobicContact CB-CB 4.22Å; H51-A55 PolarHBondContact O-N 3.49Å; P52-A55 PolarHBondContact O-N 3.1Å; A55-A58 PolarHBondContact O-N 3.22Å; A55-K59 VanDerWaalsContact O-CB 3.27Å; A55-K59 WeakPolarHBondContact O-CB 3.23Å; A55-K59 PolarHBondContact O-N 2.94Å; A55-P67 HydrophobicContact CB-CG 4.4Å; A55-P67 VanDerWaalsContact O-CG 3.29Å; A55-P67 WeakPolarHBondContact O-CG 3.33Å
56	S	97.3	Very high	91.4	Very high	84 Å²	84	97.1 Å²	97.1	59%	0.587	49%	0.494	S	S	*	.	H	α-helix	trans	-60.7	-46.4	173.7	-176.9	0	0	0	0	112.3	P52 E53 W54 K59 K60	P52-S56 PolarHBondContact O-N 3.37Å; E53-S56 WeakPolarHBondContact O-CB 3.38Å; E53-S56 PolarHBondContact O-N 3.03Å; W54-S56 VanDerWaalsContact C-N 3.29Å; W54-S56 PolarHBondContact O-N 3.11Å; S56-K59 PolarHBondContact O-N 3.2Å; S56-K60 PolarHBondContact O-N 2.76Å
57	L	98.1	Very high	93.4	Very high	103 Å²	103	92.1 Å²	92.1	54%	0.539	47%	0.468	S	S	.	.	H	α-helix	trans	-63.3	-45.6	176.6	-69.6	171.7	0	0	0	112.1	E53 W54 K60 Q61	E53-L57 WeakPolarHBondContact O-CG 3.18Å; E53-L57 PolarHBondContact O-N 2.89Å; E53-L57 VanDerWaalsContact O-N 3.09Å; W54-L57 PolarHBondContact O-N 3.19Å; W54-L57 VanDerWaalsContact O-N 3.16Å; L57-K60 WeakPolarHBondContact O-CB 3.05Å; L57-K60 PolarHBondContact O-N 2.63Å; L57-Q61 WeakPolarHBondContact O-CB 3.35Å; L57-Q61 PolarHBondContact O-N 3.17Å
58	A	97.6	Very high	95.1	Very high	5 Å²	5	88 Å²	88	4%	0.041	45%	0.449	C	S	.	.	H	α-helix	trans	-62	-45.1	177.6	0	0	0	0	0	111	W54 A55 K60 Q61 L62 P67	W54-A58 HydrophobicContact CD2-CB 4.42Å; W54-A58 HydrophobicContact CE3-CB 4.39Å; W54-A58 HydrophobicContact CH2-CB 3.93Å; W54-A58 HydrophobicContact CZ2-CB 4.02Å; W54-A58 HydrophobicContact CZ3-CB 4.15Å; W54-A58 WeakPolarHBondContact O-CB 3.45Å; W54-A58 PolarHBondContact O-N 3.09Å; A55-A58 PolarHBondContact O-N 3.22Å; A58-K60 VanDerWaalsContact C-N 3.3Å; A58-K60 PolarHBondContact O-N 3.21Å; A58-Q61 PolarHBondContact O-N 2.91Å; A58-Q61 VanDerWaalsContact O-N 3.14Å; A58-L62 WeakPolarHBondContact O-CB 3.29Å; A58-L62 WeakPolarHBondContact O-CG 2.92Å; A58-L62 PolarHBondContact O-N 3.18Å; A58-P67 HydrophobicContact CB-CB 4.07Å; A58-P67 HydrophobicContact CB-CG 4.05Å
59	K	97.8	Very high	96	Very high	113 Å²	113	91.3 Å²	91.3	49%	0.491	47%	0.465	S	S	.	.	H	α-helix	trans	-59.8	-41.3	176.5	-174.3	170.3	-174.6	172.3	0	111.7	A55 S56 L62 K63 G64 P67	A55-K59 VanDerWaalsContact O-CB 3.27Å; A55-K59 WeakPolarHBondContact O-CB 3.23Å; A55-K59 PolarHBondContact O-N 2.94Å; S56-K59 PolarHBondContact O-N 3.2Å; K59-L62 PolarHBondContact O-N 3.28Å; K59-K63 PolarHBondContact O-N 3.05Å; K59-G64 PolarHBondContact O-N 3.07Å; K59-P67 HydrophobicContact CB-CG 3.87Å
60	K	97.9	Very high	96.5	Very high	176 Å²	176	89.1 Å²	89.1	77%	0.765	45%	0.453	S	S	*	.	H	α-helix	trans	-62.8	-47	174.1	-176.9	178.5	179.8	-178.3	0	111.4	S56 L57 A58 L62 K63	S56-K60 PolarHBondContact O-N 2.76Å; L57-K60 WeakPolarHBondContact O-CB 3.05Å; L57-K60 PolarHBondContact O-N 2.63Å; A58-K60 VanDerWaalsContact C-N 3.3Å; A58-K60 PolarHBondContact O-N 3.21Å; K60-L62 VanDerWaalsContact C-N 3.34Å; K60-L62 PolarHBondContact O-N 3.46Å; K60-K63 PolarHBondContact O-N 3.4Å
61	Q	98.1	Very high	96.6	Very high	163 Å²	163	88.8 Å²	88.8	76%	0.762	45%	0.451	S	S	*	.	H	α-helix	trans	-62.1	-40.5	178.2	-175	-179.1	6.9	0	0	112.2	L57 A58 K63	L57-Q61 WeakPolarHBondContact O-CB 3.35Å; L57-Q61 PolarHBondContact O-N 3.17Å; A58-Q61 PolarHBondContact O-N 2.91Å; A58-Q61 VanDerWaalsContact O-N 3.14Å; Q61-K63 PolarHBondContact O-N 2.89Å
62	L	97.3	Very high	96.7	Very high	55 Å²	55	90.7 Å²	90.7	29%	0.288	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	9.6	179.3	-61.5	172.6	0	0	0	113.6	A58 K59 K60 G64 K65 L70	A58-L62 WeakPolarHBondContact O-CB 3.29Å; A58-L62 WeakPolarHBondContact O-CG 2.92Å; A58-L62 PolarHBondContact O-N 3.18Å; K59-L62 PolarHBondContact O-N 3.28Å; K60-L62 VanDerWaalsContact C-N 3.34Å; K60-L62 PolarHBondContact O-N 3.46Å; L62-G64 VanDerWaalsContact C-N 3.29Å; L62-G64 PolarHBondContact O-N 3.4Å; L62-K65 HydrophobicContact CB-CB 3.97Å; L62-K65 WeakPolarHBondContact O-CG 3.31Å; L62-K65 PolarHBondContact O-N 3.33Å; L62-L70 HydrophobicContact CD1-CD1 3.96Å; L62-L70 HydrophobicContact CD1-CG 4.33Å
63	K	97.3	Very high	96.6	Very high	198 Å²	198	93.4 Å²	93.4	86%	0.861	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	41.8	179.3	-55.6	-179.6	-179.1	179	0	113.2	K59 K60 Q61	K59-K63 PolarHBondContact O-N 3.05Å; K60-K63 PolarHBondContact O-N 3.4Å; Q61-K63 PolarHBondContact O-N 2.89Å
64	G	94.8	Very high	96.7	Very high	47 Å²	47	87.4 Å²	87.4	49%	0.485	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	98.4	-7.1	173.5	0	0	0	0	0	116.1	K59 L62	K59-G64 PolarHBondContact O-N 3.07Å; L62-G64 VanDerWaalsContact C-N 3.29Å; L62-G64 PolarHBondContact O-N 3.4Å
65	K	95.5	Very high	96.5	Very high	143 Å²	143	87.6 Å²	87.6	62%	0.622	43%	0.434	S	S	*	.			trans	-63.5	154.8	173.7	-60.4	-178.4	176.3	-171.9	0	111.8	L62 P67	L62-K65 HydrophobicContact CB-CB 3.97Å; L62-K65 WeakPolarHBondContact O-CG 3.31Å; L62-K65 PolarHBondContact O-N 3.33Å; K65-P67 WeakPolarHBondContact O-CD 3.42Å
66	N	95.2	Very high	96.5	Very high	68 Å²	68	88 Å²	88	36%	0.364	43%	0.432	S	S	.	.			trans	-73.5	120.8	-178.2	-171.3	2.5	0	0	0	110.7	E68 D69	N66-E68 PolarHBondContact ND2-OE2 3.43Å; N66-E68 PolarHBondContact O-N 3.11Å; N66-E68 PolarHBondContact OD1-N 3.44Å; N66-D69 WeakPolarHBondContact O-CB 3.46Å; N66-D69 PolarHBondContact O-N 3.32Å; N66-D69 VanDerWaalsContact O-N 3.12Å
67	P	94.9	Very high	96.4	Very high	7 Å²	7	86.3 Å²	86.3	5%	0.045	43%	0.428	C	S	.	.	G	3₁₀ helix	trans	-60.3	-22.7	175	-24.4	35.3	0	0	0	114.5	L50 W54 A55 A58 K59 K65 D69 L70	L50-P67 HydrophobicContact CD1-CB 4.02Å; W54-P67 HydrophobicContact CH2-CB 4.5Å; W54-P67 HydrophobicContact CZ3-CB 4.09Å; A55-P67 HydrophobicContact CB-CG 4.4Å; A55-P67 VanDerWaalsContact O-CG 3.29Å; A55-P67 WeakPolarHBondContact O-CG 3.33Å; A58-P67 HydrophobicContact CB-CB 4.07Å; A58-P67 HydrophobicContact CB-CG 4.05Å; K59-P67 HydrophobicContact CB-CG 3.87Å; K65-P67 WeakPolarHBondContact O-CD 3.42Å; P67-D69 PolarHBondContact O-N 3.16Å; P67-L70 VanDerWaalsContact O-CB 3.3Å; P67-L70 WeakPolarHBondContact O-CB 3.21Å; P67-L70 PolarHBondContact O-N 3.04Å; P67-L70 VanDerWaalsContact O-N 3.09Å
68	E	94.6	Very high	96.3	Very high	97 Å²	97	82 Å²	82	45%	0.453	41%	0.405	S	S	.	.	G	3₁₀ helix	trans	-65.8	-21.6	175.6	-63.3	171.4	167.3	0	0	112.9	L50 N66 L70 I71	L50-E68 HydrophobicContact CD1-CB 4.49Å; L50-E68 HydrophobicContact CD1-CG 3.83Å; N66-E68 PolarHBondContact ND2-OE2 3.43Å; N66-E68 PolarHBondContact O-N 3.11Å; N66-E68 PolarHBondContact OD1-N 3.44Å; E68-L70 PolarHBondContact O-N 2.86Å; E68-I71 HydrophobicContact CB-CD1 4.14Å; E68-I71 HydrophobicContact CG-CD1 4.42Å; E68-I71 WeakPolarHBondContact O-CB 3.28Å; E68-I71 WeakPolarHBondContact O-CG1 3.41Å; E68-I71 PolarHBondContact O-N 2.89Å
69	D	94.9	Very high	96.2	Very high	110 Å²	110	83.4 Å²	83.4	59%	0.588	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	-65.1	-17.7	173.9	-60	-22.9	0	0	0	111.6	N66 P67	N66-D69 WeakPolarHBondContact O-CB 3.46Å; N66-D69 PolarHBondContact O-N 3.32Å; N66-D69 VanDerWaalsContact O-N 3.12Å; P67-D69 PolarHBondContact O-N 3.16Å
70	L	96.3	Very high	96.2	Very high	81 Å²	81	78.6 Å²	78.6	42%	0.424	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-85.3	-6	175.7	-57.4	179.7	0	0	0	113.5	W54 L62 P67 E68 W72 P82	W54-L70 HydrophobicContact CH2-CD1 4.21Å; L62-L70 HydrophobicContact CD1-CD1 3.96Å; L62-L70 HydrophobicContact CD1-CG 4.33Å; P67-L70 VanDerWaalsContact O-CB 3.3Å; P67-L70 WeakPolarHBondContact O-CB 3.21Å; P67-L70 PolarHBondContact O-N 3.04Å; P67-L70 VanDerWaalsContact O-N 3.09Å; E68-L70 PolarHBondContact O-N 2.86Å; L70-W72 PolarHBondContact O-N 3.4Å; L70-P82 HydrophobicContact CB-CB 4.01Å; L70-P82 HydrophobicContact CB-CG 4.07Å
71	I	97.2	Very high	96.1	Very high	16 Å²	16	71.6 Å²	71.6	8%	0.082	36%	0.361	C	S	.	.			trans	-65.5	122.7	175.1	-65.5	169.7	0	0	0	108.1	V48 L50 E68 R73 N79	V48-I71 HydrophobicContact CB-CD1 4.27Å; V48-I71 HydrophobicContact CG1-CD1 4.43Å; L50-I71 HydrophobicContact CD2-CD1 4.48Å; L50-I71 HydrophobicContact CD2-CG1 4.36Å; E68-I71 HydrophobicContact CB-CD1 4.14Å; E68-I71 HydrophobicContact CG-CD1 4.42Å; E68-I71 WeakPolarHBondContact O-CB 3.28Å; E68-I71 WeakPolarHBondContact O-CG1 3.41Å; E68-I71 PolarHBondContact O-N 2.89Å; I71-R73 PolarHBondContact O-N 2.75Å; I71-N79 HydrophobicContact CG2-CB 3.88Å
72	W	97.4	Very high	96.1	Very high	114 Å²	114	66.1 Å²	66.1	43%	0.432	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	107.4	176.6	178.8	23.3	0	0	0	109.5	L70 T74 I80 N325	L70-W72 PolarHBondContact O-N 3.4Å; W72-T74 HydrophobicContact CD2-CG2 3.89Å; W72-T74 HydrophobicContact CE3-CG2 4.26Å; W72-T74 HydrophobicContact CG-CG2 4.22Å; W72-T74 HydrophobicContact CZ2-CG2 4.28Å; W72-T74 PolarHBondContact O-N 3.38Å; W72-I80 HydrophobicContact CB-CB 4.33Å; W72-I80 HydrophobicContact CE3-CB 4.24Å; W72-I80 HydrophobicContact CE3-CD1 3.77Å; W72-I80 HydrophobicContact CE3-CG1 4.48Å; W72-I80 HydrophobicContact CE3-CG2 4.49Å; W72-I80 HydrophobicContact CZ3-CD1 3.88Å; W72-I80 PolarHBondContact N-O 3.26Å; W72-I80 PolarHBondContact O-N 2.86Å; W72-N325 WeakPolarHBondContact CH2-ND2 3.33Å; W72-N325 WeakPolarHBondContact CH2-OD1 3.48Å
73	R	95.7	Very high	96.1	Very high	163 Å²	163	65.7 Å²	65.7	62%	0.615	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.7	105.6	171.9	-58.2	-178.1	178.5	83.5	1.8	108.1	I71	I71-R73 PolarHBondContact O-N 2.75Å
74	T	97.3	Very high	96.1	Very high	9 Å²	9	57.7 Å²	57.7	6%	0.055	30%	0.304	C	S	.	.			trans	-83.1	158.9	-173.5	80.8	0	0	0	0	111.4	W72 E76 G77 L78 I80 M328	W72-T74 HydrophobicContact CD2-CG2 3.89Å; W72-T74 HydrophobicContact CE3-CG2 4.26Å; W72-T74 HydrophobicContact CG-CG2 4.22Å; W72-T74 HydrophobicContact CZ2-CG2 4.28Å; W72-T74 PolarHBondContact O-N 3.38Å; T74-E76 WeakPolarHBondContact CB-OE2 3.42Å; T74-E76 PolarHBondContact O-N 3.47Å; T74-E76 WeakPolarHBondContact OG1-CB 3.49Å; T74-E76 PolarHBondContact OG1-N 3.32Å; T74-E76 PolarHBondContact OG1-OE2 3.29Å; T74-G77 PolarHBondContact O-N 2.97Å; T74-L78 PolarHBondContact N-O 3.3Å; T74-L78 PolarHBondContact OG1-N 2.9Å; T74-L78 PolarHBondContact OG1-O 2.98Å; T74-I80 HydrophobicContact CG2-CD1 3.66Å; T74-I80 HydrophobicContact CG2-CG1 3.83Å; T74-M328 HydrophobicContact CG2-CE 4.28Å
75	P	95.3	Very high	96.2	Very high	65 Å²	65	57 Å²	57	42%	0.422	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-27.8	173.5	-27.3	37.1	0	0	0	114.3	G77	P75-G77 PolarHBondContact O-N 3.43Å
76	E	96.6	Very high	96.2	Very high	30 Å²	30	58.1 Å²	58.1	14%	0.14	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-6.1	174.5	-65.4	72.9	-162.2	0	0	113.6	T74 L78 D283 A284 I285 M328	T74-E76 WeakPolarHBondContact CB-OE2 3.42Å; T74-E76 PolarHBondContact O-N 3.47Å; T74-E76 WeakPolarHBondContact OG1-CB 3.49Å; T74-E76 PolarHBondContact OG1-N 3.32Å; T74-E76 PolarHBondContact OG1-OE2 3.29Å; E76-L78 VanDerWaalsContact C-N 3.31Å; E76-L78 HydrophobicContact CB-CD1 4.5Å; E76-L78 HydrophobicContact CB-CG 4.13Å; E76-D283 HydrophobicContact CG-CB 4.02Å; E76-A284 HydrophobicContact CG-CB 4.14Å; E76-I285 HydrophobicContact CB-CG1 3.72Å; E76-I285 HydrophobicContact CG-CG1 3.93Å; E76-M328 HydrophobicContact CB-CE 4.33Å; E76-M328 HydrophobicContact CG-CE 3.99Å; E76-M328 HydrophobicContact CG-CG 4.38Å; E76-M328 HydrophobicContact CG-SD 4.22Å
77	G	94.4	Very high	96.1	Very high	49 Å²	49	58.3 Å²	58.3	51%	0.505	31%	0.307	S	S	.	.	S	Bend	trans	76.9	17	-174.1	0	0	0	0	0	113.7	T74 P75	T74-G77 PolarHBondContact O-N 2.97Å; P75-G77 PolarHBondContact O-N 3.43Å
78	L	95.7	Very high	96	Very high	14 Å²	14	60.1 Å²	60.1	7%	0.073	32%	0.316	C	S	.	.			trans	-96.7	149.8	177	-58.9	-173.8	0	0	0	111.1	T74 E76 I285 M328 L445 D448 V449	T74-L78 PolarHBondContact N-O 3.3Å; T74-L78 PolarHBondContact OG1-N 2.9Å; T74-L78 PolarHBondContact OG1-O 2.98Å; E76-L78 VanDerWaalsContact C-N 3.31Å; E76-L78 HydrophobicContact CB-CD1 4.5Å; E76-L78 HydrophobicContact CB-CG 4.13Å; L78-I285 HydrophobicContact CD1-CD1 4.14Å; L78-M328 HydrophobicContact CD1-CE 3.97Å; L78-M328 HydrophobicContact CD1-SD 4.25Å; L78-L445 HydrophobicContact CD1-CD1 4.08Å; L78-D448 HydrophobicContact CD1-CB 4.04Å; L78-D448 HydrophobicContact CD2-CB 4.2Å; L78-V449 HydrophobicContact CD1-CG2 3.97Å
79	N	96.1	Very high	95.8	Very high	33 Å²	33	56.5 Å²	56.5	18%	0.176	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	103.4	177.2	-70.7	-38.3	0	0	0	109.8	V48 I71	V48-N79 HydrophobicContact CG2-CB 3.69Å; I71-N79 HydrophobicContact CG2-CB 3.88Å
80	I	96.9	Very high	95.4	Very high	13 Å²	13	54.7 Å²	54.7	7%	0.067	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	117.2	175.5	-60.3	-179.3	0	0	0	109.1	W72 T74 Y84 M328 L445	W72-I80 HydrophobicContact CB-CB 4.33Å; W72-I80 HydrophobicContact CE3-CB 4.24Å; W72-I80 HydrophobicContact CE3-CD1 3.77Å; W72-I80 HydrophobicContact CE3-CG1 4.48Å; W72-I80 HydrophobicContact CE3-CG2 4.49Å; W72-I80 HydrophobicContact CZ3-CD1 3.88Å; W72-I80 PolarHBondContact N-O 3.26Å; W72-I80 PolarHBondContact O-N 2.86Å; T74-I80 HydrophobicContact CG2-CD1 3.66Å; T74-I80 HydrophobicContact CG2-CG1 3.83Å; I80-Y84 HydrophobicContact CG2-CE2 4.12Å; I80-M328 HydrophobicContact CD1-CE 4.33Å; I80-L445 HydrophobicContact CD1-CD1 4Å; I80-L445 HydrophobicContact CD1-CD2 4.1Å; I80-L445 HydrophobicContact CG1-CD1 4.09Å
81	K	97.6	Very high	95.1	Very high	28 Å²	28	57.1 Å²	57.1	12%	0.122	32%	0.32	C	S	.	.			trans	-64.9	145.9	175.8	-66.9	-170.1	-74.9	-172.5	0	112	V48 D49 L50 V83 Y84 D88	V48-K81 HydrophobicContact CG1-CD 3.57Å; V48-K81 HydrophobicContact CG1-CG 3.37Å; D49-K81 WeakPolarHBondContact O-CD 3.48Å; D49-K81 PolarHBondContact O-NZ 3.43Å; L50-K81 HydrophobicContact CD2-CB 4.34Å; L50-K81 HydrophobicContact CD2-CD 4.12Å; L50-K81 HydrophobicContact CD2-CG 4.17Å; K81-V83 WeakPolarHBondContact CB-O 3.26Å; K81-V83 PolarHBondContact O-N 2.85Å; K81-Y84 HydrophobicContact CB-CD2 4.11Å; K81-Y84 HydrophobicContact CB-CE1 4.32Å; K81-Y84 HydrophobicContact CB-CE2 3.65Å; K81-Y84 PolarHBondContact N-OH 3.39Å; K81-Y84 VanDerWaalsContact N-OH 3.15Å; K81-Y84 VanDerWaalsContact O-CE2 3.29Å; K81-Y84 WeakPolarHBondContact O-CE2 3.47Å; K81-D88 IonicContact NZ-OD1 2.87Å; K81-D88 PolarHBondContact NZ-OD1 3.28Å; K81-D88 IonicContact NZ-OD2 2.81Å
82	P	97.4	Very high	94.7	Very high	49 Å²	49	59 Å²	59	32%	0.318	33%	0.328	S	S	.	.	S	Bend	trans	-66.9	-19.8	173.5	28.4	-37.3	0	0	0	113.2	L50 W54 L70	L50-P82 HydrophobicContact CD2-CG 4.02Å; W54-P82 HydrophobicContact CH2-CB 3.68Å; W54-P82 HydrophobicContact CH2-CG 3.18Å; W54-P82 HydrophobicContact CZ2-CB 3.99Å; W54-P82 HydrophobicContact CZ2-CG 3.95Å; W54-P82 HydrophobicContact CZ3-CG 3.65Å; L70-P82 HydrophobicContact CB-CB 4.01Å; L70-P82 HydrophobicContact CB-CG 4.07Å
83	V	97.4	Very high	94.4	Very high	46 Å²	46	57.9 Å²	57.9	28%	0.279	34%	0.335	S	S	.	.			trans	-146.3	142.9	173.1	106.6	0	0	0	0	110.6	W54 K81 T85	W54-V83 HydrophobicContact CB-CG1 4.23Å; W54-V83 HydrophobicContact CD2-CB 4.06Å; W54-V83 HydrophobicContact CD2-CG1 3.69Å; W54-V83 HydrophobicContact CE3-CG1 4.23Å; W54-V83 HydrophobicContact CG-CB 4.3Å; W54-V83 HydrophobicContact CG-CG1 3.64Å; W54-V83 HydrophobicContact CZ2-CB 4.27Å; K81-V83 WeakPolarHBondContact CB-O 3.26Å; K81-V83 PolarHBondContact O-N 2.85Å; V83-T85 HydrophobicContact CG1-CG2 4.27Å
84	Y	97.1	Very high	94.4	Very high	30 Å²	30	57.3 Å²	57.3	12%	0.118	34%	0.344	C	S	.	.			trans	-123.4	147.1	171.6	-69.6	-101.2	0	0	0	109.4	I80 K81 D88 M441 A444	I80-Y84 HydrophobicContact CG2-CE2 4.12Å; K81-Y84 HydrophobicContact CB-CD2 4.11Å; K81-Y84 HydrophobicContact CB-CE1 4.32Å; K81-Y84 HydrophobicContact CB-CE2 3.65Å; K81-Y84 PolarHBondContact N-OH 3.39Å; K81-Y84 VanDerWaalsContact N-OH 3.15Å; K81-Y84 VanDerWaalsContact O-CE2 3.29Å; K81-Y84 WeakPolarHBondContact O-CE2 3.47Å; Y84-D88 WeakPolarHBondContact CA-OD2 3.49Å; Y84-D88 HydrophobicContact CD1-CB 3.96Å; Y84-M441 HydrophobicContact CD1-CB 4.44Å; Y84-M441 HydrophobicContact CD2-CB 3.39Å; Y84-M441 HydrophobicContact CD2-CG 3.46Å; Y84-M441 VanDerWaalsContact CD2-CG 3.46Å; Y84-M441 HydrophobicContact CE2-CB 3.86Å; Y84-M441 HydrophobicContact CE2-CG 3.39Å; Y84-M441 HydrophobicContact CG-CB 3.71Å; Y84-M441 HydrophobicContact CG-CG 4.21Å; Y84-A444 HydrophobicContact CD1-CB 3.88Å; Y84-A444 HydrophobicContact CE1-CB 3.53Å
85	T	96.4	Very high	94.4	Very high	33 Å²	33	58.1 Å²	58.1	20%	0.202	35%	0.347	C	S	.	.			trans	-131.9	176	-172.1	69.8	0	0	0	0	110.7	H51 V83 A87 D88 H440	H51-T85 HydrophobicContact CB-CG2 4.11Å; V83-T85 HydrophobicContact CG1-CG2 4.27Å; T85-A87 PolarHBondContact O-N 3.32Å; T85-A87 VanDerWaalsContact O-N 3.09Å; T85-A87 PolarHBondContact OG1-N 3.43Å; T85-D88 PolarHBondContact N-OD2 3.29Å; T85-D88 WeakPolarHBondContact O-CB 3.21Å; T85-D88 PolarHBondContact O-N 3.07Å; T85-D88 PolarHBondContact OG1-OD2 3Å; T85-H440 VanDerWaalsContact C-CG 3.41Å; T85-H440 WeakPolarHBondContact O-CB 3.28Å; T85-H440 PolarHBondContact O-ND1 3.39Å
86	K	95.6	Very high	94.6	Very high	165 Å²	165	59.7 Å²	59.7	72%	0.717	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-54.1	-30.4	175.7	-172.2	176.8	179.1	-179	0	113.6	D88 S89 A90 H440	K86-D88 PolarHBondContact O-N 2.83Å; K86-S89 PolarHBondContact O-N 3.07Å; K86-A90 PolarHBondContact O-N 2.95Å; K86-A90 VanDerWaalsContact O-N 3.12Å; K86-H440 VanDerWaalsContact CA-CE1 3.48Å; K86-H440 WeakPolarHBondContact CA-CE1 3.38Å; K86-H440 PolarHBondContact N-NE2 2.88Å
87	A	92.9	Very high	94.7	Very high	73 Å²	73	59.2 Å²	59.2	60%	0.603	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-61.4	-33.1	177.7	0	0	0	0	0	112.4	T85 S89	T85-A87 PolarHBondContact O-N 3.32Å; T85-A87 VanDerWaalsContact O-N 3.09Å; T85-A87 PolarHBondContact OG1-N 3.43Å; A87-S89 VanDerWaalsContact C-N 3.28Å; A87-S89 PolarHBondContact O-N 3.44Å
88	D	93.3	Very high	94.9	Very high	44 Å²	44	58 Å²	58	24%	0.235	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-75.2	-17.7	-175.9	-59.3	-62.1	0	0	0	113.7	K81 Y84 T85 K86	K81-D88 IonicContact NZ-OD1 2.87Å; K81-D88 PolarHBondContact NZ-OD1 3.28Å; K81-D88 IonicContact NZ-OD2 2.81Å; Y84-D88 WeakPolarHBondContact CA-OD2 3.49Å; Y84-D88 HydrophobicContact CD1-CB 3.96Å; T85-D88 PolarHBondContact N-OD2 3.29Å; T85-D88 WeakPolarHBondContact O-CB 3.21Å; T85-D88 PolarHBondContact O-N 3.07Å; T85-D88 PolarHBondContact OG1-OD2 3Å; K86-D88 PolarHBondContact O-N 2.83Å
89	S	90.6	Very high	95	Very high	22 Å²	22	61.1 Å²	61.1	15%	0.154	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-124.9	15.5	179.3	76.3	0	0	0	0	113.3	K86 A87 T91 K92 H440	K86-S89 PolarHBondContact O-N 3.07Å; A87-S89 VanDerWaalsContact C-N 3.28Å; A87-S89 PolarHBondContact O-N 3.44Å; S89-T91 PolarHBondContact O-N 3.36Å; S89-K92 WeakPolarHBondContact O-CG 3.36Å; S89-K92 PolarHBondContact O-N 3.41Å; S89-H440 PolarHBondContact OG-ND1 2.89Å
90	A	86.8	Confident	95.1	Very high	72 Å²	72	62.7 Å²	62.7	60%	0.595	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-28.1	-172.6	0	0	0	0	0	113.4	K86	K86-A90 PolarHBondContact O-N 2.95Å; K86-A90 VanDerWaalsContact O-N 3.12Å
91	T	88.8	Confident	95.2	Very high	132 Å²	132	63 Å²	63	81%	0.81	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.9	5	-176.9	55.8	0	0	0	0	113.5	S89	S89-T91 PolarHBondContact O-N 3.36Å
92	K	90.1	Very high	95.2	Very high	55 Å²	55	62.5 Å²	62.5	24%	0.239	36%	0.364	C	S	.	.			trans	-71.3	134.6	-176.4	-58.9	-61.5	-173.1	-174.2	0	110.6	S89 E443 D447	S89-K92 WeakPolarHBondContact O-CG 3.36Å; S89-K92 PolarHBondContact O-N 3.41Å; K92-E443 HydrophobicContact CD-CB 4.3Å; K92-E443 HydrophobicContact CG-CB 4.2Å; K92-E443 PolarHBondContact NZ-O 2.87Å; K92-D447 IonicContact NZ-OD1 3.83Å; K92-D447 IonicContact NZ-OD2 2.77Å; K92-D447 PolarHBondContact NZ-OD2 2.89Å
93	P	91.7	Very high	95.3	Very high	90 Å²	90	60.2 Å²	60.2	58%	0.584	35%	0.348	S	S	*	.			trans	-67.3	151.7	174.7	28	-32.7	0	0	0	111.2	E95	P93-E95 HydrophobicContact CG-CG 4.12Å; P93-E95 PolarHBondContact O-N 3.35Å
94	D	94.4	Very high	95.4	Very high	152 Å²	152	60.4 Å²	60.4	81%	0.813	34%	0.344	S	S	*	.			trans	-77.8	85	173	-170.3	21.2	0	0	0	110
95	E	98.1	Very high	95.4	Very high	25 Å²	25	59 Å²	59	12%	0.117	34%	0.339	C	S	.	.			trans	-83.6	148.4	178.8	-68.6	-169	-139.3	0	0	112.5	P93 P101 T103 R104 R338	P93-E95 HydrophobicContact CG-CG 4.12Å; P93-E95 PolarHBondContact O-N 3.35Å; E95-P101 WeakPolarHBondContact OE2-CD 3.45Å; E95-T103 VanDerWaalsContact CD-OG1 3.28Å; E95-T103 PolarHBondContact OE1-OG1 2.81Å; E95-T103 WeakPolarHBondContact OE2-CB 3.5Å; E95-T103 PolarHBondContact OE2-OG1 2.91Å; E95-R104 HydrophobicContact CB-CG 4.12Å; E95-R104 WeakPolarHBondContact O-CD 3.46Å; E95-R104 PolarHBondContact O-NH1 3.41Å; E95-R338 IonicContact OE1-CZ 3.41Å; E95-R338 IonicContact OE1-NE 3.19Å; E95-R338 IonicContact OE1-NH2 2.79Å; E95-R338 PolarHBondContact OE1-NH2 2.98Å
96	L	98.6	Very high	95.5	Very high	98 Å²	98	57.6 Å²	57.6	51%	0.513	33%	0.331	S	S	.	.			trans	-121.6	144.8	176.4	-64.4	174.6	0	0	0	111.2	V99	L96-V99 HydrophobicContact CB-CB 4.29Å; L96-V99 HydrophobicContact CB-CG2 3.95Å; L96-V99 PolarHBondContact O-N 3.01Å
97	P	98.7	Very high	95.7	Very high	21 Å²	21	54.5 Å²	54.5	14%	0.136	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	142.7	170.9	28	-35.4	0	0	0	110.6	V99 R104 P108 M110 A433	P97-V99 PolarHBondContact O-N 3.18Å; P97-R104 HydrophobicContact CB-CB 4.19Å; P97-P108 WeakPolarHBondContact CG-O 3.36Å; P97-P108 WeakPolarHBondContact O-CA 3.27Å; P97-M110 HydrophobicContact CB-CG 4.23Å; P97-A433 HydrophobicContact CG-CB 4.19Å
98	G	98.3	Very high	96	Very high	22 Å²	22	55.4 Å²	55.4	23%	0.227	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.8	3.7	-176.8	0	0	0	0	0	115.3	Y102 G105	G98-Y102 WeakPolarHBondContact O-CE1 3.48Å; G98-G105 PolarHBondContact N-O 3.33Å
99	V	98.6	Very high	96.2	Very high	80 Å²	80	56.9 Å²	56.9	49%	0.485	33%	0.325	S	S	.	.	S	Bend	trans	-115.4	138.9	174.5	-176.4	0	0	0	0	109.2	L96 P97 Y102	L96-V99 HydrophobicContact CB-CB 4.29Å; L96-V99 HydrophobicContact CB-CG2 3.95Å; L96-V99 PolarHBondContact O-N 3.01Å; P97-V99 PolarHBondContact O-N 3.18Å; V99-Y102 VanDerWaalsContact C-CD1 3.5Å; V99-Y102 VanDerWaalsContact O-CA 3.3Å; V99-Y102 WeakPolarHBondContact O-CA 3.42Å; V99-Y102 WeakPolarHBondContact O-CD1 3.25Å; V99-Y102 PolarHBondContact O-N 2.94Å
100	F	98.4	Very high	96.6	Very high	67 Å²	67	56.6 Å²	56.6	29%	0.294	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	132.5	175.1	176.5	-88.8	0	0	0	110.7	Y102 A341 M342 K345 L356	F100-Y102 HydrophobicContact CB-CE2 4Å; F100-Y102 HydrophobicContact CD2-CD2 4.49Å; F100-Y102 HydrophobicContact CD2-CE2 4.04Å; F100-A341 HydrophobicContact CD2-CB 4.11Å; F100-A341 HydrophobicContact CE2-CB 3.97Å; F100-M342 HydrophobicContact CE1-SD 4.03Å; F100-M342 HydrophobicContact CE2-SD 4.38Å; F100-M342 HydrophobicContact CZ-SD 3.46Å; F100-M342 WeakPolarHBondContact CZ-SD 3.38Å; F100-K345 HydrophobicContact CD2-CD 4.49Å; F100-K345 HydrophobicContact CE1-CD 4.32Å; F100-K345 HydrophobicContact CE2-CB 4.37Å; F100-K345 HydrophobicContact CE2-CD 3.67Å; F100-K345 HydrophobicContact CZ-CD 3.56Å; F100-L356 HydrophobicContact CD2-CD1 3.87Å; F100-L356 HydrophobicContact CE2-CD1 4.25Å
101	P	98.3	Very high	97.2	Very high	20 Å²	20	54.2 Å²	54.2	13%	0.13	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	cis	-95.3	20.6	13.2	38.8	-37.4	0	0	0	115.2	E95 T103 R338	E95-P101 WeakPolarHBondContact OE2-CD 3.45Å; P101-T103 VanDerWaalsContact C-N 3.27Å; P101-T103 PolarHBondContact O-N 3.07Å; P101-R338 HydrophobicContact CB-CG 3.92Å; P101-R338 HydrophobicContact CG-CG 3.91Å; P101-R338 WeakPolarHBondContact O-CA 3.23Å
102	Y	98.7	Very high	97.6	Very high	17 Å²	17	51.3 Å²	51.3	7%	0.067	28%	0.28	C	S	.	.			trans	64.7	20.1	171.4	-44.9	-76.9	0	0	0	115.7	G98 V99 F100 R104 G105 R337 A341 A353 L356 L357	G98-Y102 WeakPolarHBondContact O-CE1 3.48Å; V99-Y102 VanDerWaalsContact C-CD1 3.5Å; V99-Y102 VanDerWaalsContact O-CA 3.3Å; V99-Y102 WeakPolarHBondContact O-CA 3.42Å; V99-Y102 WeakPolarHBondContact O-CD1 3.25Å; V99-Y102 PolarHBondContact O-N 2.94Å; F100-Y102 HydrophobicContact CB-CE2 4Å; F100-Y102 HydrophobicContact CD2-CD2 4.49Å; F100-Y102 HydrophobicContact CD2-CE2 4.04Å; Y102-R104 PolarHBondContact O-N 3.48Å; Y102-G105 PolarHBondContact O-N 3.49Å; Y102-R337 WeakPolarHBondContact O-CB 3.44Å; Y102-R337 VanDerWaalsContact O-CD 3.27Å; Y102-R337 WeakPolarHBondContact O-CD 3.1Å; Y102-R337 PolarHBondContact O-NE 3.05Å; Y102-R337 VanDerWaalsContact O-NE 3.09Å; Y102-A341 HydrophobicContact CD2-CB 3.82Å; Y102-A341 HydrophobicContact CE2-CB 4.3Å; Y102-A353 PolarHBondContact OH-O 3.42Å; Y102-L356 HydrophobicContact CE2-CB 3.76Å; Y102-L356 HydrophobicContact CE2-CD1 4.48Å; Y102-L357 HydrophobicContact CD1-CD2 3.64Å; Y102-L357 HydrophobicContact CD2-CD2 4.04Å; Y102-L357 HydrophobicContact CE1-CD2 3.48Å; Y102-L357 VanDerWaalsContact CE1-CD2 3.48Å; Y102-L357 HydrophobicContact CE2-CD2 3.9Å; Y102-L357 HydrophobicContact CG-CD2 3.91Å
103	T	98.8	Very high	98	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52	-44.4	177.4	-46.7	0	0	0	0	111	E95 P101 G105 R334 R337 R338 T446	E95-T103 VanDerWaalsContact CD-OG1 3.28Å; E95-T103 PolarHBondContact OE1-OG1 2.81Å; E95-T103 WeakPolarHBondContact OE2-CB 3.5Å; E95-T103 PolarHBondContact OE2-OG1 2.91Å; P101-T103 VanDerWaalsContact C-N 3.27Å; P101-T103 PolarHBondContact O-N 3.07Å; T103-G105 VanDerWaalsContact C-N 3.26Å; T103-G105 PolarHBondContact O-N 2.85Å; T103-R334 HydrophobicContact CG2-CB 3.91Å; T103-R337 PolarHBondContact O-NE 3.27Å; T103-R337 VanDerWaalsContact O-NE 3.13Å; T103-R337 PolarHBondContact O-NH2 3.39Å; T103-R338 PolarHBondContact OG1-NE 2.9Å; T103-R338 PolarHBondContact OG1-NH2 2.76Å; T103-T446 HydrophobicContact CG2-CG2 3.97Å
104	R	98.8	Very high	98.2	Very high	50 Å²	50	60.8 Å²	60.8	19%	0.189	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-0.7	-178	-53.1	-161.6	72.7	-178.1	-1.7	114.8	E95 P97 Y102 D434 G437	E95-R104 HydrophobicContact CB-CG 4.12Å; E95-R104 WeakPolarHBondContact O-CD 3.46Å; E95-R104 PolarHBondContact O-NH1 3.41Å; P97-R104 HydrophobicContact CB-CB 4.19Å; Y102-R104 PolarHBondContact O-N 3.48Å; R104-D434 HydrophobicContact CB-CB 3.87Å; R104-D434 WeakPolarHBondContact CB-OD2 3.41Å; R104-D434 VanDerWaalsContact CG-OD2 3.23Å; R104-D434 WeakPolarHBondContact CG-OD2 3.19Å; R104-D434 IonicContact CZ-OD2 3.43Å; R104-D434 IonicContact NE-OD2 3.54Å; R104-D434 PolarHBondContact NE-OD2 3.38Å; R104-D434 PolarHBondContact NH2-O 3.05Å; R104-D434 IonicContact NH2-OD2 2.69Å; R104-D434 WeakPolarHBondContact O-CB 3.29Å; R104-G437 VanDerWaalsContact NH2-CA 3.33Å
105	G	98.6	Very high	98.4	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.281	C	S	.	.			trans	132.3	153.7	175.1	0	0	0	0	0	113.4	G98 Y102 T103 Y107	G98-G105 PolarHBondContact N-O 3.33Å; Y102-G105 PolarHBondContact O-N 3.49Å; T103-G105 VanDerWaalsContact C-N 3.26Å; T103-G105 PolarHBondContact O-N 2.85Å; G105-Y107 VanDerWaalsContact C-N 3.3Å; G105-Y107 PolarHBondContact O-N 3.07Å
106	P	98.4	Very high	98.4	Very high	5 Å²	5	54.4 Å²	54.4	3%	0.032	28%	0.276	C	S	.	.	S	Bend	trans	-75.5	-14.2	-175.8	29.5	-34.8	0	0	0	114.2	M110 L357	P106-M110 HydrophobicContact CG-SD 4.48Å; P106-L357 HydrophobicContact CB-CD2 4.09Å
107	Y	98.6	Very high	98.2	Very high	100 Å²	100	51.1 Å²	51.1	39%	0.392	26%	0.26	S	S	.	.	S	Bend	trans	-128.8	142.1	-175.3	-55.5	-61	0	0	0	111.7	G105 T109 M110 R359 Q394	G105-Y107 VanDerWaalsContact C-N 3.3Å; G105-Y107 PolarHBondContact O-N 3.07Å; Y107-T109 PolarHBondContact O-N 2.88Å; Y107-M110 VanDerWaalsContact O-CG 3.31Å; Y107-M110 WeakPolarHBondContact O-CG 3.41Å; Y107-M110 PolarHBondContact O-N 3.36Å; Y107-R359 VanDerWaalsContact OH-CD 3.25Å; Y107-R359 WeakPolarHBondContact OH-CD 3.27Å; Y107-Q394 HydrophobicContact CE2-CG 3.87Å
108	P	98.6	Very high	98	Very high	91 Å²	91	50.2 Å²	50.2	59%	0.591	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-45.2	-175.4	-26.2	34.4	0	0	0	114.6	P97	P97-P108 WeakPolarHBondContact CG-O 3.36Å; P97-P108 WeakPolarHBondContact O-CA 3.27Å
109	T	98.6	Very high	97.7	Very high	75 Å²	75	50.1 Å²	50.1	46%	0.46	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-12.6	-175.5	55.8	0	0	0	0	112.9	Y107 Y111 T112	Y107-T109 PolarHBondContact O-N 2.88Å; T109-Y111 PolarHBondContact O-N 3.46Å; T109-Y111 VanDerWaalsContact O-N 3.11Å; T109-T112 WeakPolarHBondContact CB-OG1 3.41Å; T109-T112 WeakPolarHBondContact O-CB 3.43Å; T109-T112 WeakPolarHBondContact O-CG2 3.47Å; T109-T112 PolarHBondContact O-N 3.08Å; T109-T112 PolarHBondContact O-OG1 3.15Å
110	M	98.7	Very high	97.3	Very high	16 Å²	16	46.8 Å²	46.8	8%	0.079	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	37.5	-120.1	-167.6	-66.9	-58.3	-67.6	0	0	110.9	P97 P106 Y107 A433	P97-M110 HydrophobicContact CB-CG 4.23Å; P106-M110 HydrophobicContact CG-SD 4.48Å; Y107-M110 VanDerWaalsContact O-CG 3.31Å; Y107-M110 WeakPolarHBondContact O-CG 3.41Å; Y107-M110 PolarHBondContact O-N 3.36Å; M110-A433 HydrophobicContact CB-CB 3.95Å; M110-A433 HydrophobicContact CG-CB 4.07Å
111	Y	98.8	Very high	96.2	Very high	22 Å²	22	46.5 Å²	46.5	9%	0.086	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-87.1	-6.2	-175	-48.8	-42.5	0	0	0	115.6	T109 F113 R114 W116 V389 G392 T393 P430	T109-Y111 PolarHBondContact O-N 3.46Å; T109-Y111 VanDerWaalsContact O-N 3.11Å; Y111-F113 PolarHBondContact O-N 3.34Å; Y111-R114 WeakPolarHBondContact CA-O 3.49Å; Y111-W116 HydrophobicContact CD1-CE3 4.3Å; Y111-W116 HydrophobicContact CD2-CE3 4.22Å; Y111-W116 HydrophobicContact CD2-CZ3 4.48Å; Y111-W116 HydrophobicContact CE1-CB 3.86Å; Y111-W116 HydrophobicContact CE1-CE3 4.17Å; Y111-W116 HydrophobicContact CE2-CE3 4.08Å; Y111-W116 HydrophobicContact CG-CE3 4.31Å; Y111-V389 HydrophobicContact CD2-CG1 4.35Å; Y111-V389 HydrophobicContact CE2-CG1 3.91Å; Y111-V389 WeakPolarHBondContact CE2-O 3.42Å; Y111-G392 VanDerWaalsContact OH-CA 3.25Å; Y111-G392 WeakPolarHBondContact OH-CA 3.31Å; Y111-T393 VanDerWaalsContact CE1-O 3.25Å; Y111-T393 WeakPolarHBondContact CE1-O 3.29Å; Y111-T393 VanDerWaalsContact CZ-O 3.28Å; Y111-T393 PolarHBondContact OH-N 2.97Å; Y111-T393 PolarHBondContact OH-O 3.02Å; Y111-P430 CarbonylContact C-O 3.49Å
112	T	98.6	Very high	95.1	Very high	71 Å²	71	46.1 Å²	46.1	44%	0.436	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-63.1	-21.5	-172.6	61.6	0	0	0	0	113.4	T109 P430	T109-T112 WeakPolarHBondContact CB-OG1 3.41Å; T109-T112 WeakPolarHBondContact O-CB 3.43Å; T109-T112 WeakPolarHBondContact O-CG2 3.47Å; T109-T112 PolarHBondContact O-N 3.08Å; T109-T112 PolarHBondContact O-OG1 3.15Å; T112-P430 WeakPolarHBondContact CA-O 3.15Å; T112-P430 PolarHBondContact N-O 3.29Å
113	F	97.8	Very high	93.5	Very high	184 Å²	184	45.7 Å²	45.7	81%	0.807	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109	-48.7	173.1	180	-111.3	0	0	0	112.8	Y111	Y111-F113 PolarHBondContact O-N 3.34Å
114	R	96.4	Very high	92.2	Very high	161 Å²	161	47.3 Å²	47.3	61%	0.608	23%	0.23	S	C	*	.	S	Bend	trans	-134.4	122.6	-179.8	-177.3	179.6	176.3	175	0.5	109.3	Y111	Y111-R114 WeakPolarHBondContact CA-O 3.49Å
115	P	97.9	Very high	91.2	Very high	39 Å²	39	45.2 Å²	45.2	25%	0.253	22%	0.223	S	C	.	.			trans	-70	175.9	-180	31.9	-36.6	0	0	0	111.7	Q424	P115-Q424 HydrophobicContact CB-CG 3.96Å; P115-Q424 HydrophobicContact CG-CG 4.3Å
116	W	97.8	Very high	90.7	Very high	3 Å²	3	46.2 Å²	46.2	1%	0.011	23%	0.229	C	C	.	.			trans	-58.9	157.7	170.8	69.3	92	0	0	0	110.9	Y111 V389 T393 Q394 Q420 I423 Q424 P430	Y111-W116 HydrophobicContact CD1-CE3 4.3Å; Y111-W116 HydrophobicContact CD2-CE3 4.22Å; Y111-W116 HydrophobicContact CD2-CZ3 4.48Å; Y111-W116 HydrophobicContact CE1-CB 3.86Å; Y111-W116 HydrophobicContact CE1-CE3 4.17Å; Y111-W116 HydrophobicContact CE2-CE3 4.08Å; Y111-W116 HydrophobicContact CG-CE3 4.31Å; W116-V389 HydrophobicContact CD2-CG2 3.99Å; W116-V389 HydrophobicContact CE3-CG1 4.1Å; W116-V389 HydrophobicContact CE3-CG2 3.8Å; W116-V389 HydrophobicContact CH2-CB 4.43Å; W116-V389 HydrophobicContact CH2-CG1 4.05Å; W116-V389 HydrophobicContact CH2-CG2 3.45Å; W116-V389 VanDerWaalsContact CH2-CG2 3.45Å; W116-V389 HydrophobicContact CZ2-CG2 3.61Å; W116-V389 HydrophobicContact CZ3-CB 4.21Å; W116-V389 HydrophobicContact CZ3-CG1 3.54Å; W116-V389 HydrophobicContact CZ3-CG2 3.54Å; W116-T393 HydrophobicContact CB-CG2 4.43Å; W116-Q394 WeakPolarHBondContact CA-O 3.23Å; W116-Q420 HydrophobicContact CZ2-CB 4.3Å; W116-I423 HydrophobicContact CH2-CB 3.98Å; W116-I423 HydrophobicContact CH2-CG2 3.6Å; W116-I423 HydrophobicContact CZ2-CB 4.35Å; W116-I423 HydrophobicContact CZ2-CG2 4.33Å; W116-I423 HydrophobicContact CZ3-CG2 4.47Å; W116-Q424 HydrophobicContact CH2-CB 4.43Å; W116-Q424 HydrophobicContact CH2-CG 3.37Å; W116-Q424 HydrophobicContact CZ2-CG 3.48Å; W116-Q424 VanDerWaalsContact CZ2-CG 3.48Å; W116-Q424 HydrophobicContact CZ3-CG 3.94Å; W116-Q424 PolarHBondContact O-NE2 2.96Å; W116-P430 HydrophobicContact CZ3-CG 4.18Å
117	T	94.6	Very high	90.3	Very high	29 Å²	29	46 Å²	46	18%	0.178	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	124.6	177.6	-53.9	0	0	0	0	110.2	R119 Q143 Q394 S395 L396	T117-R119 PolarHBondContact O-N 2.95Å; T117-Q143 HydrophobicContact CG2-CB 3.85Å; T117-Q394 PolarHBondContact N-O 3.44Å; T117-S395 WeakPolarHBondContact O-CA 3.39Å; T117-S395 WeakPolarHBondContact O-CB 3.47Å; T117-L396 PolarHBondContact O-N 3.42Å; T117-L396 VanDerWaalsContact O-N 3.07Å
118	I	94.7	Very high	90	Very high	3 Å²	3	45.2 Å²	45.2	2%	0.015	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	110.6	168.7	-58.2	-179.4	0	0	0	108	R417 Q420 I421	I118-R417 HydrophobicContact CG2-CG 4.22Å; I118-Q420 HydrophobicContact CD1-CB 3.95Å; I118-Q420 HydrophobicContact CG1-CB 4.01Å; I118-I421 HydrophobicContact CD1-CG1 3.63Å
119	R	92.4	Very high	89.5	Confident	19 Å²	19	45.9 Å²	45.9	7%	0.072	22%	0.223	C	C	.	.			trans	-129.6	87.5	-176.5	-172.8	-177.4	-66.1	-81.3	4.2	109.6	T117 L145 S194 L396	T117-R119 PolarHBondContact O-N 2.95Å; R119-L145 PolarHBondContact NH1-O 3.04Å; R119-S194 PolarHBondContact NH1-O 2.79Å; R119-S194 PolarHBondContact NH2-OG 2.93Å; R119-L396 CarbonylContact C-O 3.47Å; R119-L396 PolarHBondContact N-O 3.23Å
120	Q	89.6	Confident	89.2	Confident	11 Å²	11	42.3 Å²	42.3	5%	0.051	20%	0.201	C	C	.	.			trans	-74.8	131.8	172.9	-65.3	-59	99.3	0	0	110.1	Q142 T398	Q120-Q142 PolarHBondContact O-NE2 3.37Å; Q120-T398 PolarHBondContact NE2-O 3.32Å; Q120-T398 VanDerWaalsContact OE1-N 3.16Å; Q120-T398 PolarHBondContact OE1-OG1 2.71Å
121	Y	75.2	Confident	89	Confident	60 Å²	60	42.1 Å²	42.1	24%	0.235	20%	0.201	C	C	.	.			trans	-79.9	120.6	170	-169.2	-111.6	0	0	0	106.8	S146 V147 A148 T198 H397	Y121-S146 WeakPolarHBondContact CD2-OG 3.42Å; Y121-V147 VanDerWaalsContact CE2-O 3.28Å; Y121-V147 WeakPolarHBondContact CE2-O 3.45Å; Y121-A148 HydrophobicContact CD1-CB 3.93Å; Y121-A148 HydrophobicContact CE1-CB 3.27Å; Y121-A148 HydrophobicContact CE2-CB 3.97Å; Y121-A148 VanDerWaalsContact CZ-CA 3.45Å; Y121-A148 VanDerWaalsContact OH-CA 3.3Å; Y121-A148 WeakPolarHBondContact OH-CA 3.42Å; Y121-A148 WeakPolarHBondContact OH-CB 3.48Å; Y121-T198 VanDerWaalsContact CE2-CB 3.42Å; Y121-T198 HydrophobicContact CE2-CG2 4.21Å; Y121-T198 WeakPolarHBondContact CE2-OG1 3.42Å; Y121-T198 VanDerWaalsContact OH-CB 3.26Å; Y121-T198 WeakPolarHBondContact OH-CB 3.42Å; Y121-T198 WeakPolarHBondContact OH-CG2 2.99Å; Y121-H397 WeakPolarHBondContact CA-ND1 3.39Å; Y121-H397 WeakPolarHBondContact CB-CE1 3.47Å; Y121-H397 WeakPolarHBondContact CB-ND1 3.43Å; Y121-H397 PolarHBondContact N-CE1 2.91Å; Y121-H397 VanDerWaalsContact N-CE1 3.29Å; Y121-H397 PolarHBondContact N-ND1 2.82Å
122	A	75.1	Confident	88.6	Confident	12 Å²	12	47 Å²	47	10%	0.099	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-146.5	148.9	-178.7	0	0	0	0	0	110	F133 Y134 S146 A148	A122-F133 HydrophobicContact CB-CD1 3.81Å; A122-F133 HydrophobicContact CB-CE1 3.31Å; A122-F133 HydrophobicContact CB-CZ 4.3Å; A122-Y134 HydrophobicContact CB-CE1 3.96Å; A122-Y134 PolarHBondContact O-OH 3.34Å; A122-S146 PolarHBondContact N-O 2.92Å; A122-S146 VanDerWaalsContact N-O 3.09Å; A122-A148 PolarHBondContact O-N 3.2Å; A122-A148 VanDerWaalsContact O-N 3.11Å
123	G	66.1	Low	88.1	Confident	9 Å²	9	45 Å²	45	9%	0.093	21%	0.207	C	C	.	.			trans	-176.7	118.1	174.5	0	0	0	0	0	106.1
124	F	71.9	Confident	87.8	Confident	33 Å²	33	36.2 Å²	36.2	15%	0.145	17%	0.169	C	C	.	.			trans	-93.3	172.2	172.1	-66.3	-91.2	0	0	0	108.6	T126 E129 S130 F133 G172 V173 L514	F124-T126 PolarHBondContact O-N 3.33Å; F124-T126 VanDerWaalsContact O-N 3.13Å; F124-E129 HydrophobicContact CB-CB 3.97Å; F124-S130 PolarHBondContact N-OG 3.46Å; F124-S130 PolarHBondContact O-OG 3.31Å; F124-F133 HydrophobicContact CD2-CB 3.9Å; F124-F133 HydrophobicContact CD2-CD1 4.33Å; F124-F133 HydrophobicContact CD2-CD2 4.41Å; F124-F133 AromaticContact CD2-CG 4Å; F124-F133 HydrophobicContact CD2-CG 4Å; F124-F133 HydrophobicContact CE2-CB 3.57Å; F124-F133 AromaticContact CE2-CD1 3.51Å; F124-F133 HydrophobicContact CE2-CD1 3.51Å; F124-F133 AromaticContact CE2-CD2 3.32Å; F124-F133 HydrophobicContact CE2-CD2 3.32Å; F124-F133 AromaticContact CE2-CE1 3.88Å; F124-F133 HydrophobicContact CE2-CE1 3.88Å; F124-F133 AromaticContact CE2-CE2 3.72Å; F124-F133 HydrophobicContact CE2-CE2 3.72Å; F124-F133 AromaticContact CE2-CG 3.18Å; F124-F133 HydrophobicContact CE2-CG 3.18Å; F124-F133 AromaticContact CE2-CZ 3.96Å; F124-F133 HydrophobicContact CE2-CZ 3.96Å; F124-F133 HydrophobicContact CZ-CB 4.5Å; F124-F133 HydrophobicContact CZ-CD1 4.4Å; F124-F133 AromaticContact CZ-CD2 3.53Å; F124-F133 HydrophobicContact CZ-CD2 3.53Å; F124-F133 HydrophobicContact CZ-CE1 4.46Å; F124-F133 AromaticContact CZ-CE2 3.63Å; F124-F133 HydrophobicContact CZ-CE2 3.63Å; F124-F133 AromaticContact CZ-CG 3.92Å; F124-F133 HydrophobicContact CZ-CG 3.92Å; F124-F133 HydrophobicContact CZ-CZ 4.09Å; F124-G172 CarbonylContact O-C 3.37Å; F124-V173 WeakPolarHBondContact O-CA 3.13Å; F124-V173 WeakPolarHBondContact O-CG1 3.41Å; F124-V173 PolarHBondContact O-N 2.69Å; F124-L514 HydrophobicContact CD1-CD2 3.85Å; F124-L514 HydrophobicContact CE1-CD2 4Å
125	S	77.8	Confident	87.5	Confident	7 Å²	7	33.8 Å²	33.8	5%	0.049	16%	0.16	C	C	.	.	S	Bend	trans	-58.9	-29.3	-174.2	-53	0	0	0	0	114.6	G169 I516	S125-G169 WeakPolarHBondContact CA-O 3.33Å; S125-G169 WeakPolarHBondContact CB-O 3.44Å; S125-G169 PolarHBondContact OG-O 2.98Å; S125-I516 VanDerWaalsContact OG-CD1 3.25Å; S125-I516 WeakPolarHBondContact OG-CD1 3.38Å; S125-I516 VanDerWaalsContact OG-CG1 3.23Å; S125-I516 WeakPolarHBondContact OG-CG1 3.4Å; S125-I516 WeakPolarHBondContact OG-CG2 3.47Å
126	T	86.4	Confident	87.1	Confident	20 Å²	20	34.8 Å²	34.8	12%	0.123	16%	0.163	C	C	.	.	S	Bend	trans	-118	154	178.7	69.1	0	0	0	0	112.5	F124 E128 E129 S130 V521	F124-T126 PolarHBondContact O-N 3.33Å; F124-T126 VanDerWaalsContact O-N 3.13Å; T126-E128 VanDerWaalsContact C-N 3.29Å; T126-E128 WeakPolarHBondContact CB-OE2 3.4Å; T126-E128 PolarHBondContact O-N 3.38Å; T126-E129 WeakPolarHBondContact OG1-CB 3.47Å; T126-E129 VanDerWaalsContact OG1-CD 3.26Å; T126-E129 VanDerWaalsContact OG1-CG 3.23Å; T126-E129 WeakPolarHBondContact OG1-CG 2.88Å; T126-E129 PolarHBondContact OG1-N 2.95Å; T126-E129 PolarHBondContact OG1-OE2 3.17Å; T126-S130 WeakPolarHBondContact O-CB 3.41Å; T126-S130 PolarHBondContact O-N 3.28Å; T126-S130 PolarHBondContact O-OG 3.41Å; T126-V521 HydrophobicContact CG2-CG1 4.35Å; T126-V521 HydrophobicContact CG2-CG2 3.94Å
127	V	91	Very high	86.5	Confident	2 Å²	2	35.3 Å²	35.3	1%	0.012	17%	0.166	C	C	.	.	H	α-helix	trans	-66.4	-32	177.1	-66.2	0	0	0	0	112	N131 V173 I175 D180 M183 L184	V127-N131 VanDerWaalsContact O-CB 3.27Å; V127-N131 WeakPolarHBondContact O-CB 3.46Å; V127-N131 PolarHBondContact O-N 2.93Å; V127-V173 HydrophobicContact CG1-CB 4.37Å; V127-I175 HydrophobicContact CG1-CD1 3.79Å; V127-D180 HydrophobicContact CG1-CB 4.27Å; V127-M183 HydrophobicContact CB-CB 4.4Å; V127-M183 HydrophobicContact CG2-CB 3.73Å; V127-M183 HydrophobicContact CG2-CE 4.31Å; V127-M183 HydrophobicContact CG2-SD 4.34Å; V127-L184 HydrophobicContact CB-CB 4.23Å; V127-L184 HydrophobicContact CB-CD1 4.26Å; V127-L184 HydrophobicContact CG1-CB 4.26Å; V127-L184 HydrophobicContact CG1-CD1 4.34Å
128	E	91.8	Very high	86.1	Confident	82 Å²	82	36.6 Å²	36.6	38%	0.383	17%	0.171	S	C	.	.	H	α-helix	trans	-68.8	-46.2	179.3	-61.8	85.4	166	0	0	111.7	T126 N131 K132 M183 K528	T126-E128 VanDerWaalsContact C-N 3.29Å; T126-E128 WeakPolarHBondContact CB-OE2 3.4Å; T126-E128 PolarHBondContact O-N 3.38Å; E128-N131 PolarHBondContact O-N 2.98Å; E128-K132 PolarHBondContact O-N 3.37Å; E128-M183 HydrophobicContact CG-CE 3.95Å; E128-M183 WeakPolarHBondContact OE1-CE 3.5Å; E128-K528 IonicContact OE1-NZ 3.74Å; E128-K528 PolarHBondContact OE1-NZ 2.98Å; E128-K528 IonicContact OE2-NZ 2.81Å
129	E	89.4	Confident	85.9	Confident	105 Å²	105	43.9 Å²	43.9	49%	0.491	20%	0.203	S	C	.	.	H	α-helix	trans	-65.9	-41.9	175.9	-70.9	167.6	142.6	0	0	111.1	F124 T126 K132 F133	F124-E129 HydrophobicContact CB-CB 3.97Å; T126-E129 WeakPolarHBondContact OG1-CB 3.47Å; T126-E129 VanDerWaalsContact OG1-CD 3.26Å; T126-E129 VanDerWaalsContact OG1-CG 3.23Å; T126-E129 WeakPolarHBondContact OG1-CG 2.88Å; T126-E129 PolarHBondContact OG1-N 2.95Å; T126-E129 PolarHBondContact OG1-OE2 3.17Å; E129-K132 PolarHBondContact O-N 3.07Å; E129-F133 WeakPolarHBondContact O-CB 3.34Å; E129-F133 PolarHBondContact O-N 3.19Å
130	S	90.7	Very high	85.6	Confident	0 Å²	0	45 Å²	45	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-62.7	-45.3	176.4	-63.3	0	0	0	0	112.2	F124 T126 K132 F133 Y134 V173	F124-S130 PolarHBondContact N-OG 3.46Å; F124-S130 PolarHBondContact O-OG 3.31Å; T126-S130 WeakPolarHBondContact O-CB 3.41Å; T126-S130 PolarHBondContact O-N 3.28Å; T126-S130 PolarHBondContact O-OG 3.41Å; S130-K132 PolarHBondContact O-N 3.47Å; S130-F133 PolarHBondContact O-N 3.43Å; S130-Y134 WeakPolarHBondContact O-CB 3.48Å; S130-Y134 VanDerWaalsContact O-CD2 3.28Å; S130-Y134 WeakPolarHBondContact O-CD2 3.4Å; S130-Y134 PolarHBondContact O-N 2.99Å; S130-V173 WeakPolarHBondContact OG-CG1 3.47Å
131	N	94.4	Very high	85.1	Confident	13 Å²	13	46.3 Å²	46.3	7%	0.07	23%	0.233	C	C	.	.	H	α-helix	trans	-58.5	-49.4	175.4	178	-87.9	0	0	0	111.3	V127 E128 F133 Y134 R135 L184 D186	V127-N131 VanDerWaalsContact O-CB 3.27Å; V127-N131 WeakPolarHBondContact O-CB 3.46Å; V127-N131 PolarHBondContact O-N 2.93Å; E128-N131 PolarHBondContact O-N 2.98Å; N131-F133 VanDerWaalsContact C-N 3.3Å; N131-F133 PolarHBondContact O-N 2.99Å; N131-Y134 PolarHBondContact O-N 2.9Å; N131-R135 WeakPolarHBondContact O-CG 3.41Å; N131-R135 PolarHBondContact O-N 3.35Å; N131-R135 VanDerWaalsContact OD1-CD 3.23Å; N131-R135 WeakPolarHBondContact OD1-CD 3.46Å; N131-L184 WeakPolarHBondContact CB-O 3.45Å; N131-L184 PolarHBondContact ND2-O 3.39Å; N131-D186 PolarHBondContact ND2-N 3.44Å; N131-D186 PolarHBondContact ND2-O 3.1Å
132	K	92.2	Very high	85.5	Confident	124 Å²	124	43.8 Å²	43.8	54%	0.539	22%	0.223	S	C	.	.	H	α-helix	trans	-56.9	-47.1	177.4	172	168.4	165	40.3	0	110.9	E128 E129 S130 R135 D136	E128-K132 PolarHBondContact O-N 3.37Å; E129-K132 PolarHBondContact O-N 3.07Å; S130-K132 PolarHBondContact O-N 3.47Å; K132-R135 PolarHBondContact O-N 3.11Å; K132-D136 IonicContact NZ-OD1 2.94Å; K132-D136 IonicContact NZ-OD2 2.85Å; K132-D136 PolarHBondContact NZ-OD2 3.24Å; K132-D136 VanDerWaalsContact O-CG 3.31Å; K132-D136 PolarHBondContact O-N 3.24Å
133	F	87.4	Confident	85.8	Confident	28 Å²	28	47.3 Å²	47.3	12%	0.123	24%	0.238	C	C	.	.	H	α-helix	trans	-62	-44.3	178.9	-178.7	-96.3	0	0	0	112.6	A122 F124 E129 S130 N131 R135 D136 N137 A413	A122-F133 HydrophobicContact CB-CD1 3.81Å; A122-F133 HydrophobicContact CB-CE1 3.31Å; A122-F133 HydrophobicContact CB-CZ 4.3Å; F124-F133 HydrophobicContact CD2-CB 3.9Å; F124-F133 HydrophobicContact CD2-CD1 4.33Å; F124-F133 HydrophobicContact CD2-CD2 4.41Å; F124-F133 AromaticContact CD2-CG 4Å; F124-F133 HydrophobicContact CD2-CG 4Å; F124-F133 HydrophobicContact CE2-CB 3.57Å; F124-F133 AromaticContact CE2-CD1 3.51Å; F124-F133 HydrophobicContact CE2-CD1 3.51Å; F124-F133 AromaticContact CE2-CD2 3.32Å; F124-F133 HydrophobicContact CE2-CD2 3.32Å; F124-F133 AromaticContact CE2-CE1 3.88Å; F124-F133 HydrophobicContact CE2-CE1 3.88Å; F124-F133 AromaticContact CE2-CE2 3.72Å; F124-F133 HydrophobicContact CE2-CE2 3.72Å; F124-F133 AromaticContact CE2-CG 3.18Å; F124-F133 HydrophobicContact CE2-CG 3.18Å; F124-F133 AromaticContact CE2-CZ 3.96Å; F124-F133 HydrophobicContact CE2-CZ 3.96Å; F124-F133 HydrophobicContact CZ-CB 4.5Å; F124-F133 HydrophobicContact CZ-CD1 4.4Å; F124-F133 AromaticContact CZ-CD2 3.53Å; F124-F133 HydrophobicContact CZ-CD2 3.53Å; F124-F133 HydrophobicContact CZ-CE1 4.46Å; F124-F133 AromaticContact CZ-CE2 3.63Å; F124-F133 HydrophobicContact CZ-CE2 3.63Å; F124-F133 AromaticContact CZ-CG 3.92Å; F124-F133 HydrophobicContact CZ-CG 3.92Å; F124-F133 HydrophobicContact CZ-CZ 4.09Å; E129-F133 WeakPolarHBondContact O-CB 3.34Å; E129-F133 PolarHBondContact O-N 3.19Å; S130-F133 PolarHBondContact O-N 3.43Å; N131-F133 VanDerWaalsContact C-N 3.3Å; N131-F133 PolarHBondContact O-N 2.99Å; F133-R135 VanDerWaalsContact C-N 3.33Å; F133-R135 PolarHBondContact O-N 3.22Å; F133-D136 PolarHBondContact O-N 3.43Å; F133-N137 WeakPolarHBondContact CE1-ND2 3.28Å; F133-N137 WeakPolarHBondContact CZ-ND2 3.48Å; F133-N137 WeakPolarHBondContact O-CB 3.4Å; F133-N137 PolarHBondContact O-N 3.06Å; F133-A413 HydrophobicContact CE2-CB 4.34Å; F133-A413 HydrophobicContact CZ-CB 4.1Å
134	Y	90.4	Very high	86.7	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-58.6	-46	175.6	-64.1	-24.2	0	0	0	111.5	A122 S130 N131 D136 N137 I138 L145 V147 L184 I188	A122-Y134 HydrophobicContact CB-CE1 3.96Å; A122-Y134 PolarHBondContact O-OH 3.34Å; S130-Y134 WeakPolarHBondContact O-CB 3.48Å; S130-Y134 VanDerWaalsContact O-CD2 3.28Å; S130-Y134 WeakPolarHBondContact O-CD2 3.4Å; S130-Y134 PolarHBondContact O-N 2.99Å; N131-Y134 PolarHBondContact O-N 2.9Å; Y134-D136 PolarHBondContact O-N 2.95Å; Y134-N137 PolarHBondContact O-N 3.11Å; Y134-I138 WeakPolarHBondContact O-CD1 3.41Å; Y134-I138 WeakPolarHBondContact O-CG1 3.4Å; Y134-I138 PolarHBondContact O-N 3.44Å; Y134-L145 HydrophobicContact CD1-CD2 4.1Å; Y134-L145 HydrophobicContact CG-CD2 3.92Å; Y134-V147 HydrophobicContact CE2-CG2 4.4Å; Y134-L184 HydrophobicContact CD2-CD1 4.43Å; Y134-L184 HydrophobicContact CE2-CD1 3.62Å; Y134-L184 HydrophobicContact CE2-CG 4.07Å; Y134-I188 HydrophobicContact CD2-CD1 4.19Å
135	R	91.6	Very high	87.6	Confident	111 Å²	111	45.3 Å²	45.3	42%	0.419	23%	0.227	S	C	.	.	H	α-helix	trans	-63.6	-40.7	178.9	-68.9	175.8	67.9	-163.5	2.5	112.1	N131 K132 F133 K139 I188	N131-R135 WeakPolarHBondContact O-CG 3.41Å; N131-R135 PolarHBondContact O-N 3.35Å; N131-R135 VanDerWaalsContact OD1-CD 3.23Å; N131-R135 WeakPolarHBondContact OD1-CD 3.46Å; K132-R135 PolarHBondContact O-N 3.11Å; F133-R135 VanDerWaalsContact C-N 3.33Å; F133-R135 PolarHBondContact O-N 3.22Å; R135-K139 WeakPolarHBondContact O-CG 3.47Å; R135-K139 PolarHBondContact O-N 3.44Å; R135-I188 HydrophobicContact CG-CD1 4.37Å; R135-I188 HydrophobicContact CG-CG1 4.13Å
136	D	89.3	Confident	88.2	Confident	60 Å²	60	45.1 Å²	45.1	32%	0.321	23%	0.225	S	C	.	.	H	α-helix	trans	-67.5	-39.1	177.5	-69.9	-19.3	0	0	0	111.5	K132 F133 Y134 K139 A140	K132-D136 IonicContact NZ-OD1 2.94Å; K132-D136 IonicContact NZ-OD2 2.85Å; K132-D136 PolarHBondContact NZ-OD2 3.24Å; K132-D136 VanDerWaalsContact O-CG 3.31Å; K132-D136 PolarHBondContact O-N 3.24Å; F133-D136 PolarHBondContact O-N 3.43Å; Y134-D136 PolarHBondContact O-N 2.95Å; D136-K139 PolarHBondContact O-N 2.78Å; D136-A140 WeakPolarHBondContact O-CB 2.92Å; D136-A140 PolarHBondContact O-N 3.33Å; D136-A140 VanDerWaalsContact O-N 3.07Å
137	N	84.1	Confident	88.5	Confident	13 Å²	13	44.2 Å²	44.2	7%	0.07	22%	0.219	C	C	.	.	H	α-helix	trans	-71	-37.4	176.4	-80.5	-3.4	0	0	0	113.7	F133 Y134 K139 A140 G141 Q142 R417	F133-N137 WeakPolarHBondContact CE1-ND2 3.28Å; F133-N137 WeakPolarHBondContact CZ-ND2 3.48Å; F133-N137 WeakPolarHBondContact O-CB 3.4Å; F133-N137 PolarHBondContact O-N 3.06Å; Y134-N137 PolarHBondContact O-N 3.11Å; N137-K139 VanDerWaalsContact C-N 3.29Å; N137-K139 PolarHBondContact O-N 2.98Å; N137-A140 CarbonylContact O-C 3.58Å; N137-A140 WeakPolarHBondContact O-CA 3.4Å; N137-A140 PolarHBondContact O-N 3.49Å; N137-G141 PolarHBondContact O-N 3.21Å; N137-Q142 HydrophobicContact CB-CB 3.93Å; N137-Q142 PolarHBondContact ND2-OE1 3.05Å; N137-Q142 VanDerWaalsContact O-CB 3.26Å; N137-Q142 WeakPolarHBondContact O-CB 3.29Å; N137-Q142 PolarHBondContact O-N 2.72Å; N137-R417 PolarHBondContact OD1-NH1 3.05Å
138	I	86.8	Confident	88.5	Confident	56 Å²	56	44.3 Å²	44.3	29%	0.287	22%	0.22	S	C	.	.	H	α-helix	trans	-57.9	-46.4	172.9	-70.8	162.7	0	0	0	109.4	Y134 A140 G141 L145 M193	Y134-I138 WeakPolarHBondContact O-CD1 3.41Å; Y134-I138 WeakPolarHBondContact O-CG1 3.4Å; Y134-I138 PolarHBondContact O-N 3.44Å; I138-A140 PolarHBondContact O-N 2.93Å; I138-G141 PolarHBondContact O-N 3Å; I138-L145 HydrophobicContact CD1-CD1 4.34Å; I138-L145 HydrophobicContact CD1-CD2 4.01Å; I138-L145 HydrophobicContact CD1-CG 4.45Å; I138-L145 HydrophobicContact CG1-CD2 4.09Å; I138-M193 HydrophobicContact CD1-CE 3.75Å; I138-M193 HydrophobicContact CD1-SD 4.36Å; I138-M193 HydrophobicContact CG1-CE 3.86Å
139	K	89.8	Confident	88.7	Confident	156 Å²	156	40.7 Å²	40.7	68%	0.678	20%	0.203	S	C	*	.	H	α-helix	trans	-60.6	-31.6	175.2	-69.9	170.9	-174.2	169.8	0	112.6	R135 D136 N137 G141	R135-K139 WeakPolarHBondContact O-CG 3.47Å; R135-K139 PolarHBondContact O-N 3.44Å; D136-K139 PolarHBondContact O-N 2.78Å; N137-K139 VanDerWaalsContact C-N 3.29Å; N137-K139 PolarHBondContact O-N 2.98Å; K139-G141 VanDerWaalsContact C-N 3.34Å
140	A	86	Confident	89	Confident	42 Å²	42	35.7 Å²	35.7	35%	0.347	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	15.2	-179	0	0	0	0	0	114.3	D136 N137 I138 R417	D136-A140 WeakPolarHBondContact O-CB 2.92Å; D136-A140 PolarHBondContact O-N 3.33Å; D136-A140 VanDerWaalsContact O-N 3.07Å; N137-A140 CarbonylContact O-C 3.58Å; N137-A140 WeakPolarHBondContact O-CA 3.4Å; N137-A140 PolarHBondContact O-N 3.49Å; I138-A140 PolarHBondContact O-N 2.93Å; A140-R417 VanDerWaalsContact CB-CZ 3.48Å; A140-R417 PolarHBondContact O-NE 3.21Å
141	G	80.2	Confident	89.3	Confident	40 Å²	40	36.4 Å²	36.4	41%	0.412	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	100.5	4.7	171.1	0	0	0	0	0	116	N137 I138 K139 Q143	N137-G141 PolarHBondContact O-N 3.21Å; I138-G141 PolarHBondContact O-N 3Å; K139-G141 VanDerWaalsContact C-N 3.34Å; G141-Q143 PolarHBondContact O-N 3.47Å
142	Q	82.2	Confident	89.4	Confident	6 Å²	6	35.8 Å²	35.8	3%	0.028	18%	0.181	C	C	.	.			trans	-67.2	128.5	171.9	-177.1	166.9	-18.5	0	0	110.4	Q120 N137 G144	Q120-Q142 PolarHBondContact O-NE2 3.37Å; N137-Q142 HydrophobicContact CB-CB 3.93Å; N137-Q142 PolarHBondContact ND2-OE1 3.05Å; N137-Q142 VanDerWaalsContact O-CB 3.26Å; N137-Q142 WeakPolarHBondContact O-CB 3.29Å; N137-Q142 PolarHBondContact O-N 2.72Å; Q142-G144 VanDerWaalsContact CG-O 3.28Å; Q142-G144 WeakPolarHBondContact CG-O 3.17Å; Q142-G144 PolarHBondContact NE2-O 3.47Å
143	Q	82.1	Confident	89.7	Confident	87 Å²	87	29.9 Å²	29.9	41%	0.407	16%	0.155	S	C	.	.			trans	-99.6	-20.1	-170.7	-66.6	179.2	-30.3	0	0	113.9	T117 G141	T117-Q143 HydrophobicContact CG2-CB 3.85Å; G141-Q143 PolarHBondContact O-N 3.47Å
144	G	86.2	Confident	90.3	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.15	C	C	.	.	S	Bend	trans	-144.1	147.5	176.8	0	0	0	0	0	110.8	Q142	Q142-G144 VanDerWaalsContact CG-O 3.28Å; Q142-G144 WeakPolarHBondContact CG-O 3.17Å; Q142-G144 PolarHBondContact NE2-O 3.47Å
145	L	89.5	Confident	90.7	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	149.5	177.8	-63.5	178	0	0	0	110.2	R119 Y134 I138 I188 M193 S194 V195 S196	R119-L145 PolarHBondContact NH1-O 3.04Å; Y134-L145 HydrophobicContact CD1-CD2 4.1Å; Y134-L145 HydrophobicContact CG-CD2 3.92Å; I138-L145 HydrophobicContact CD1-CD1 4.34Å; I138-L145 HydrophobicContact CD1-CD2 4.01Å; I138-L145 HydrophobicContact CD1-CG 4.45Å; I138-L145 HydrophobicContact CG1-CD2 4.09Å; L145-I188 HydrophobicContact CD1-CD1 3.98Å; L145-I188 HydrophobicContact CD1-CG2 3.8Å; L145-M193 HydrophobicContact CD1-CE 4.31Å; L145-M193 HydrophobicContact CD2-CE 4.5Å; L145-M193 HydrophobicContact CG-CE 3.91Å; L145-S194 PolarHBondContact N-O 2.97Å; L145-V195 HydrophobicContact CB-CG2 4.48Å; L145-S196 PolarHBondContact O-N 2.77Å
146	S	90.2	Very high	91	Very high	3 Å²	3	24 Å²	24	2%	0.021	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	122.1	168.3	-163	0	0	0	0	109.9	Y121 A122 S196	Y121-S146 WeakPolarHBondContact CD2-OG 3.42Å; A122-S146 PolarHBondContact N-O 2.92Å; A122-S146 VanDerWaalsContact N-O 3.09Å; S146-S196 CarbonylContact C-O 3.37Å; S146-S196 WeakPolarHBondContact CA-O 3.28Å; S146-S196 WeakPolarHBondContact OG-CB 3.26Å
147	V	93.3	Very high	91.4	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	128	-172.2	-176.1	0	0	0	0	110.6	Y121 Y134 F149 V173 L184 F185 V195 S196 T198	Y121-V147 VanDerWaalsContact CE2-O 3.28Å; Y121-V147 WeakPolarHBondContact CE2-O 3.45Å; Y134-V147 HydrophobicContact CE2-CG2 4.4Å; V147-F149 HydrophobicContact CB-CE2 4.17Å; V147-F149 HydrophobicContact CB-CZ 4.04Å; V147-F149 HydrophobicContact CG1-CD1 4.2Å; V147-F149 HydrophobicContact CG1-CD2 4.41Å; V147-F149 HydrophobicContact CG1-CE1 3.72Å; V147-F149 HydrophobicContact CG1-CE2 3.97Å; V147-F149 HydrophobicContact CG1-CZ 3.6Å; V147-V173 HydrophobicContact CG1-CG2 3.87Å; V147-L184 HydrophobicContact CG1-CD2 3.89Å; V147-L184 HydrophobicContact CG2-CD2 4.25Å; V147-F185 HydrophobicContact CG2-CE1 4.33Å; V147-F185 HydrophobicContact CG2-CZ 3.97Å; V147-V195 HydrophobicContact CG2-CG1 4.16Å; V147-S196 PolarHBondContact N-O 3.14Å; V147-T198 PolarHBondContact O-N 3.03Å
148	A	91.1	Very high	92.1	Very high	4 Å²	4	21.9 Å²	21.9	3%	0.033	12%	0.119	C	C	.	.	P	Polyproline II helix	trans	-98.7	126.3	168.1	0	0	0	0	0	111.1	Y121 A122 G172 V173	Y121-A148 HydrophobicContact CD1-CB 3.93Å; Y121-A148 HydrophobicContact CE1-CB 3.27Å; Y121-A148 HydrophobicContact CE2-CB 3.97Å; Y121-A148 VanDerWaalsContact CZ-CA 3.45Å; Y121-A148 VanDerWaalsContact OH-CA 3.3Å; Y121-A148 WeakPolarHBondContact OH-CA 3.42Å; Y121-A148 WeakPolarHBondContact OH-CB 3.48Å; A122-A148 PolarHBondContact O-N 3.2Å; A122-A148 VanDerWaalsContact O-N 3.11Å; A148-G172 WeakPolarHBondContact O-CA 3.25Å; A148-V173 WeakPolarHBondContact O-CG2 3.29Å; A148-V173 PolarHBondContact O-N 3.26Å
149	F	95.4	Very high	92.7	Very high	6 Å²	6	19.3 Å²	19.3	3%	0.026	11%	0.106	C	C	.	.	B	Isolated β-bridge	trans	-101.9	152.9	179.5	-56.8	-85.8	0	0	0	110.6	V147 T153 H154 V173 I175 M197 T198 M199 V206	V147-F149 HydrophobicContact CB-CE2 4.17Å; V147-F149 HydrophobicContact CB-CZ 4.04Å; V147-F149 HydrophobicContact CG1-CD1 4.2Å; V147-F149 HydrophobicContact CG1-CD2 4.41Å; V147-F149 HydrophobicContact CG1-CE1 3.72Å; V147-F149 HydrophobicContact CG1-CE2 3.97Å; V147-F149 HydrophobicContact CG1-CZ 3.6Å; F149-T153 HydrophobicContact CB-CG2 4.17Å; F149-T153 HydrophobicContact CD1-CG2 4.02Å; F149-T153 HydrophobicContact CG-CG2 4.35Å; F149-H154 PolarHBondContact O-CD2 3.03Å; F149-V173 WeakPolarHBondContact CA-O 3.44Å; F149-V173 HydrophobicContact CD1-CG2 3.93Å; F149-V173 HydrophobicContact CE1-CG2 4.37Å; F149-I175 HydrophobicContact CD1-CG1 3.81Å; F149-I175 HydrophobicContact CE1-CG1 3.92Å; F149-M197 HydrophobicContact CE2-CB 3.99Å; F149-M197 HydrophobicContact CE2-CG 4.38Å; F149-M197 HydrophobicContact CZ-CB 4.21Å; F149-M197 HydrophobicContact CZ-CG 4.15Å; F149-M197 HydrophobicContact CZ-SD 4.37Å; F149-T198 WeakPolarHBondContact CD2-O 3.31Å; F149-M199 HydrophobicContact CB-CE 3.56Å; F149-M199 HydrophobicContact CD1-CE 4.19Å; F149-M199 HydrophobicContact CD2-CB 4.21Å; F149-M199 HydrophobicContact CD2-CE 3.47Å; F149-M199 VanDerWaalsContact CD2-CE 3.47Å; F149-M199 HydrophobicContact CE2-CB 4.04Å; F149-M199 HydrophobicContact CE2-CE 4.19Å; F149-M199 HydrophobicContact CG-CE 3.46Å; F149-M199 VanDerWaalsContact CG-CE 3.46Å; F149-V206 HydrophobicContact CE1-CG1 3.86Å; F149-V206 HydrophobicContact CE2-CG1 4.24Å; F149-V206 HydrophobicContact CZ-CG1 3.61Å
150	D	95.7	Very high	93.1	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.09	C	C	.	.	P	Polyproline II helix	trans	-68.5	163	170.9	73.8	1.5	0	0	0	112.3	P152 T153 H154 V168 G169 V173 A174	D150-P152 VanDerWaalsContact C-CD 3.48Å; D150-P152 VanDerWaalsContact CG-CD 3.44Å; D150-P152 WeakPolarHBondContact OD1-CD 3.45Å; D150-T153 PolarHBondContact O-N 3.39Å; D150-T153 WeakPolarHBondContact OD1-CB 3.3Å; D150-T153 PolarHBondContact OD1-N 3.42Å; D150-T153 PolarHBondContact OD1-OG1 3.29Å; D150-H154 PolarHBondContact O-CD2 3.45Å; D150-H154 VanDerWaalsContact O-CD2 3.28Å; D150-H154 PolarHBondContact O-N 2.95Å; D150-V168 WeakPolarHBondContact OD2-CA 3.49Å; D150-G169 PolarHBondContact OD2-N 3.05Å; D150-V173 PolarHBondContact N-O 3.28Å; D150-A174 WeakPolarHBondContact OD2-CA 3.28Å; D150-A174 VanDerWaalsContact OD2-CB 3.31Å; D150-A174 WeakPolarHBondContact OD2-CB 3.43Å
151	L	96.9	Very high	93.6	Very high	16 Å²	16	14.9 Å²	14.9	8%	0.084	8%	0.084	C	C	.	.	H	α-helix	trans	-63.6	-36	-178.7	-63.8	172.4	0	0	0	113.9	H154 R155 A171 T241 Q635 A686	L151-H154 WeakPolarHBondContact O-CB 2.99Å; L151-H154 PolarHBondContact O-N 3.32Å; L151-R155 PolarHBondContact O-N 3.05Å; L151-A171 HydrophobicContact CG-CB 4.05Å; L151-T241 HydrophobicContact CD2-CG2 4.42Å; L151-Q635 HydrophobicContact CB-CB 3.62Å; L151-Q635 HydrophobicContact CD1-CB 4.32Å; L151-A686 HydrophobicContact CD1-CB 3.56Å
152	P	97.9	Very high	94.3	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-58.4	-50.6	172.9	-27	37.3	0	0	0	112.7	D150 H154 R155 G156 Y157 V164 D167 V168	D150-P152 VanDerWaalsContact C-CD 3.48Å; D150-P152 VanDerWaalsContact CG-CD 3.44Å; D150-P152 WeakPolarHBondContact OD1-CD 3.45Å; P152-H154 VanDerWaalsContact C-N 3.28Å; P152-H154 PolarHBondContact O-N 3.21Å; P152-R155 CarbonylContact O-C 3.55Å; P152-R155 PolarHBondContact O-N 3.44Å; P152-R155 VanDerWaalsContact O-N 3.15Å; P152-G156 PolarHBondContact O-N 3.18Å; P152-Y157 CarbonylContact C-O 3.52Å; P152-Y157 PolarHBondContact O-N 2.89Å; P152-V164 HydrophobicContact CB-CB 3.95Å; P152-V164 HydrophobicContact CB-CG1 4.11Å; P152-V164 HydrophobicContact CB-CG2 3.98Å; P152-V164 HydrophobicContact CG-CB 3.72Å; P152-V164 HydrophobicContact CG-CG1 4.23Å; P152-V164 HydrophobicContact CG-CG2 4.1Å; P152-D167 HydrophobicContact CG-CB 3.76Å; P152-V168 HydrophobicContact CG-CG2 4.3Å
153	T	98.5	Very high	95	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-57.2	-45.9	175.5	-55.8	0	0	0	0	109.9	F149 D150 R155 G156 I175 M199 A202 V206	F149-T153 HydrophobicContact CB-CG2 4.17Å; F149-T153 HydrophobicContact CD1-CG2 4.02Å; F149-T153 HydrophobicContact CG-CG2 4.35Å; D150-T153 PolarHBondContact O-N 3.39Å; D150-T153 WeakPolarHBondContact OD1-CB 3.3Å; D150-T153 PolarHBondContact OD1-N 3.42Å; D150-T153 PolarHBondContact OD1-OG1 3.29Å; T153-R155 VanDerWaalsContact C-N 3.28Å; T153-R155 PolarHBondContact O-N 2.91Å; T153-G156 PolarHBondContact O-N 3.42Å; T153-G156 VanDerWaalsContact O-N 3.13Å; T153-I175 HydrophobicContact CG2-CB 3.93Å; T153-I175 PolarHBondContact OG1-N 3.15Å; T153-I175 PolarHBondContact OG1-O 2.8Å; T153-M199 HydrophobicContact CG2-CE 3.86Å; T153-A202 WeakPolarHBondContact O-CB 3.36Å; T153-V206 HydrophobicContact CG2-CG2 3.85Å
154	H	98.5	Very high	95.6	Very high	3 Å²	3	18.6 Å²	18.6	1%	0.014	10%	0.095	C	C	.	.	H	α-helix	trans	-54.1	-41.5	178.4	-95.4	-68.1	0	0	0	113.9	F149 D150 L151 P152 T198 M199 G201 A202 R239 T241	F149-H154 PolarHBondContact O-CD2 3.03Å; D150-H154 PolarHBondContact O-CD2 3.45Å; D150-H154 VanDerWaalsContact O-CD2 3.28Å; D150-H154 PolarHBondContact O-N 2.95Å; L151-H154 WeakPolarHBondContact O-CB 2.99Å; L151-H154 PolarHBondContact O-N 3.32Å; P152-H154 VanDerWaalsContact C-N 3.28Å; P152-H154 PolarHBondContact O-N 3.21Å; H154-T198 PolarHBondContact CE1-O 3.22Å; H154-T198 PolarHBondContact NE2-O 3.13Å; H154-M199 HydrophobicContact CB-CE 4.39Å; H154-G201 WeakPolarHBondContact O-CA 3.5Å; H154-A202 PolarHBondContact O-N 3.4Å; H154-R239 PolarHBondContact CE1-NH1 3.17Å; H154-R239 PolarHBondContact CE1-NH2 3.26Å; H154-R239 PolarHBondContact NE2-NH2 3.39Å; H154-T241 HydrophobicContact CB-CG2 4.14Å
155	R	98.6	Very high	95.9	Very high	13 Å²	13	20.4 Å²	20.4	5%	0.049	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	11	-177.4	-60.1	-161.8	68.4	-123.1	-3.1	113.7	L151 P152 T153 Y157 I243 F662	L151-R155 PolarHBondContact O-N 3.05Å; P152-R155 CarbonylContact O-C 3.55Å; P152-R155 PolarHBondContact O-N 3.44Å; P152-R155 VanDerWaalsContact O-N 3.15Å; T153-R155 VanDerWaalsContact C-N 3.28Å; T153-R155 PolarHBondContact O-N 2.91Å; R155-Y157 HydrophobicContact CB-CD2 3.99Å; R155-Y157 HydrophobicContact CB-CE2 4.08Å; R155-I243 VanDerWaalsContact O-CD1 3.27Å; R155-I243 WeakPolarHBondContact O-CD1 3.34Å; R155-I243 WeakPolarHBondContact O-CG1 3.25Å; R155-F662 VanDerWaalsContact CZ-CE2 3.45Å; R155-F662 VanDerWaalsContact NH2-CD2 3.33Å
156	G	98.5	Very high	96	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.7	37.9	172.2	0	0	0	0	0	113	P152 T153 G574 T577	P152-G156 PolarHBondContact O-N 3.18Å; T153-G156 PolarHBondContact O-N 3.42Å; T153-G156 VanDerWaalsContact O-N 3.13Å; G156-G574 WeakPolarHBondContact O-CA 3.5Å; G156-T577 WeakPolarHBondContact CA-OG1 3.33Å
157	Y	98.8	Very high	96.2	Very high	20 Å²	20	20.4 Å²	20.4	8%	0.078	10%	0.104	C	C	.	.			trans	-108.8	143.2	172.6	-68.3	-63.7	0	0	0	110.5	P152 R155 N161 V164	P152-Y157 CarbonylContact C-O 3.52Å; P152-Y157 PolarHBondContact O-N 2.89Å; R155-Y157 HydrophobicContact CB-CD2 3.99Å; R155-Y157 HydrophobicContact CB-CE2 4.08Å; Y157-N161 HydrophobicContact CD1-CB 4.46Å; Y157-N161 WeakPolarHBondContact CD1-ND2 3.18Å; Y157-V164 HydrophobicContact CD2-CG1 3.58Å; Y157-V164 HydrophobicContact CE2-CG1 4.35Å; Y157-V164 HydrophobicContact CG-CG1 3.78Å
158	D	98.7	Very high	96.3	Very high	8 Å²	8	20.4 Å²	20.4	4%	0.043	10%	0.104	C	C	.	.			trans	-77	153.9	165.9	-70.4	-16.8	0	0	0	110.7	D160 N161 D176 L529 R533 S572 G574	D158-D160 WeakPolarHBondContact CB-OD1 3.49Å; D158-D160 PolarHBondContact O-N 3.29Å; D158-D160 VanDerWaalsContact O-N 3.14Å; D158-N161 VanDerWaalsContact O-CB 3.27Å; D158-N161 WeakPolarHBondContact O-CB 3.5Å; D158-N161 PolarHBondContact O-N 2.87Å; D158-D176 WeakPolarHBondContact CA-OD1 3.26Å; D158-L529 HydrophobicContact CB-CD2 3.81Å; D158-R533 IonicContact OD2-CZ 3.43Å; D158-R533 IonicContact OD2-NH2 2.98Å; D158-R533 PolarHBondContact OD2-NH2 3.33Å; D158-S572 WeakPolarHBondContact OD1-CB 3.09Å; D158-S572 PolarHBondContact OD1-OG 3.33Å; D158-S572 VanDerWaalsContact OD1-OG 3.09Å; D158-S572 VanDerWaalsContact OD2-CB 3.24Å; D158-S572 WeakPolarHBondContact OD2-CB 3.41Å; D158-S572 PolarHBondContact OD2-OG 3.1Å; D158-G574 WeakPolarHBondContact OD1-CA 3.28Å; D158-G574 PolarHBondContact OD1-N 2.63Å
159	S	98.2	Very high	96.3	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.007	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-14.9	-177.9	-61.1	0	0	0	0	115	D176 Q525	S159-D176 WeakPolarHBondContact CB-OD1 3.38Å; S159-D176 PolarHBondContact N-OD1 3.39Å; S159-D176 PolarHBondContact OG-OD1 3.33Å; S159-D176 PolarHBondContact OG-OD2 2.88Å; S159-Q525 WeakPolarHBondContact OG-CG 3.37Å
160	D	97.8	Very high	96.1	Very high	65 Å²	65	20.8 Å²	20.8	35%	0.348	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-1.9	174.6	71.6	-19.1	0	0	0	113.7	D158 I526 L529 R533	D158-D160 WeakPolarHBondContact CB-OD1 3.49Å; D158-D160 PolarHBondContact O-N 3.29Å; D158-D160 VanDerWaalsContact O-N 3.14Å; D160-I526 HydrophobicContact CB-CD1 4.42Å; D160-I526 HydrophobicContact CB-CG1 3.89Å; D160-I526 HydrophobicContact CB-CG2 4.5Å; D160-L529 HydrophobicContact CB-CD2 4.2Å; D160-R533 IonicContact OD1-NH2 3.66Å; D160-R533 IonicContact OD2-CZ 3.25Å; D160-R533 IonicContact OD2-NH1 3.32Å; D160-R533 PolarHBondContact OD2-NH1 3.21Å; D160-R533 IonicContact OD2-NH2 2.91Å
161	N	98.1	Very high	95.7	Very high	41 Å²	41	22.7 Å²	22.7	22%	0.219	12%	0.12	C	C	.	.			trans	-72.6	127.9	179.3	-171.1	-49.9	0	0	0	111.2	Y157 D158 R163 V164	Y157-N161 HydrophobicContact CD1-CB 4.46Å; Y157-N161 WeakPolarHBondContact CD1-ND2 3.18Å; D158-N161 VanDerWaalsContact O-CB 3.27Å; D158-N161 WeakPolarHBondContact O-CB 3.5Å; D158-N161 PolarHBondContact O-N 2.87Å; N161-R163 PolarHBondContact O-N 2.87Å; N161-R163 VanDerWaalsContact O-N 3.16Å; N161-R163 WeakPolarHBondContact OD1-CB 3.32Å; N161-R163 PolarHBondContact OD1-N 3.25Å; N161-V164 HydrophobicContact CB-CG2 4Å; N161-V164 VanDerWaalsContact O-CG2 3.23Å; N161-V164 WeakPolarHBondContact O-CG2 3.33Å; N161-V164 PolarHBondContact O-N 3.48Å; N161-V164 VanDerWaalsContact O-N 3.16Å
162	P	95	Very high	95.4	Very high	104 Å²	104	21.9 Å²	21.9	68%	0.675	12%	0.116	S	C	*	.	G	3₁₀ helix	trans	-63.7	-24.2	-176.7	24.6	-34.8	0	0	0	113.9	V164 H165	P162-V164 PolarHBondContact O-N 2.88Å; P162-H165 PolarHBondContact O-ND1 3.23Å
163	R	95.5	Very high	95.2	Very high	107 Å²	107	21.9 Å²	21.9	40%	0.404	12%	0.116	S	C	.	.	G	3₁₀ helix	trans	-71.6	-12.3	178.7	-76.4	-171.5	171.6	-86.8	-3	114.1	N161 Q635 T664 E667	N161-R163 PolarHBondContact O-N 2.87Å; N161-R163 VanDerWaalsContact O-N 3.16Å; N161-R163 WeakPolarHBondContact OD1-CB 3.32Å; N161-R163 PolarHBondContact OD1-N 3.25Å; R163-Q635 PolarHBondContact O-NE2 3.26Å; R163-T664 HydrophobicContact CG-CG2 4.44Å; R163-E667 IonicContact CZ-OE1 3.95Å; R163-E667 IonicContact NH1-OE1 2.77Å; R163-E667 PolarHBondContact NH1-OE1 2.86Å; R163-E667 IonicContact NH1-OE2 2.9Å; R163-E667 PolarHBondContact NH1-OE2 3.04Å; R163-E667 IonicContact NH2-OE1 3.8Å; R163-E667 PolarHBondContact NH2-OE1 3.47Å
164	V	96	Very high	95	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-120.6	10.1	-174.1	-56.8	0	0	0	0	113.6	P152 Y157 N161 P162 G166 D167 V168 Q635	P152-V164 HydrophobicContact CB-CB 3.95Å; P152-V164 HydrophobicContact CB-CG1 4.11Å; P152-V164 HydrophobicContact CB-CG2 3.98Å; P152-V164 HydrophobicContact CG-CB 3.72Å; P152-V164 HydrophobicContact CG-CG1 4.23Å; P152-V164 HydrophobicContact CG-CG2 4.1Å; Y157-V164 HydrophobicContact CD2-CG1 3.58Å; Y157-V164 HydrophobicContact CE2-CG1 4.35Å; Y157-V164 HydrophobicContact CG-CG1 3.78Å; N161-V164 HydrophobicContact CB-CG2 4Å; N161-V164 VanDerWaalsContact O-CG2 3.23Å; N161-V164 WeakPolarHBondContact O-CG2 3.33Å; N161-V164 PolarHBondContact O-N 3.48Å; N161-V164 VanDerWaalsContact O-N 3.16Å; P162-V164 PolarHBondContact O-N 2.88Å; V164-G166 PolarHBondContact O-N 2.94Å; V164-D167 PolarHBondContact O-N 2.91Å; V164-V168 HydrophobicContact CG2-CG2 4.2Å; V164-V168 WeakPolarHBondContact O-CG2 3.38Å; V164-V168 PolarHBondContact O-N 2.68Å; V164-Q635 HydrophobicContact CB-CG 4.34Å; V164-Q635 HydrophobicContact CG1-CG 3.67Å
165	H	92.4	Very high	95	Very high	37 Å²	37	21.9 Å²	21.9	17%	0.171	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-19.4	-168.1	79	-91.7	0	0	0	114.6	P162 N518 R522 T691 E695	P162-H165 PolarHBondContact O-ND1 3.23Å; H165-N518 PolarHBondContact O-OD1 3.46Å; H165-R522 PolarHBondContact O-NH1 3.23Å; H165-T691 VanDerWaalsContact NE2-CG2 3.27Å; H165-T691 WeakPolarHBondContact NE2-CG2 3.27Å; H165-E695 IonicContact CE1-OE1 3.6Å; H165-E695 IonicContact CE1-OE2 2.72Å; H165-E695 PolarHBondContact CE1-OE2 2.74Å; H165-E695 IonicContact NE2-OE1 2.7Å; H165-E695 PolarHBondContact NE2-OE1 2.8Å; H165-E695 IonicContact NE2-OE2 2.68Å
166	G	91.4	Very high	95	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.01	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-2.9	175.7	0	0	0	0	0	114.4	V164 N518	V164-G166 PolarHBondContact O-N 2.94Å; G166-N518 PolarHBondContact O-ND2 3.39Å
167	D	94.7	Very high	95.1	Very high	3 Å²	3	21.4 Å²	21.4	2%	0.016	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.2	-17.1	-171	-59.8	-65	0	0	0	113.4	P152 V164 G169 M170 Q635	P152-D167 HydrophobicContact CG-CB 3.76Å; V164-D167 PolarHBondContact O-N 2.91Å; D167-G169 PolarHBondContact O-N 3.27Å; D167-M170 PolarHBondContact O-N 3.13Å; D167-Q635 HydrophobicContact CB-CB 4.36Å; D167-Q635 HydrophobicContact CB-CG 4.33Å; D167-Q635 PolarHBondContact OD1-N 2.86Å; D167-Q635 WeakPolarHBondContact OD2-CG 3.49Å; D167-Q635 PolarHBondContact OD2-N 3.44Å
168	V	95.1	Very high	95.1	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	120.2	-177.5	-178.1	0	0	0	0	111.6	D150 P152 V164 M170 A174 N518 V521 R522	D150-V168 WeakPolarHBondContact OD2-CA 3.49Å; P152-V168 HydrophobicContact CG-CG2 4.3Å; V164-V168 HydrophobicContact CG2-CG2 4.2Å; V164-V168 WeakPolarHBondContact O-CG2 3.38Å; V164-V168 PolarHBondContact O-N 2.68Å; V168-M170 PolarHBondContact O-N 2.83Å; V168-A174 HydrophobicContact CG1-CB 4.08Å; V168-N518 PolarHBondContact N-ND2 3.38Å; V168-N518 PolarHBondContact O-ND2 2.81Å; V168-V521 HydrophobicContact CG1-CG1 4.39Å; V168-R522 HydrophobicContact CB-CB 4.24Å; V168-R522 HydrophobicContact CB-CG 4.34Å; V168-R522 HydrophobicContact CG1-CB 4.27Å; V168-R522 HydrophobicContact CG2-CG 4.18Å
169	G	91.6	Very high	95.1	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.5	10.8	177.2	0	0	0	0	0	116.1	S125 D150 D167 G172	S125-G169 WeakPolarHBondContact CA-O 3.33Å; S125-G169 WeakPolarHBondContact CB-O 3.44Å; S125-G169 PolarHBondContact OG-O 2.98Å; D150-G169 PolarHBondContact OD2-N 3.05Å; D167-G169 PolarHBondContact O-N 3.27Å; G169-G172 CarbonylContact C-O 3.35Å; G169-G172 WeakPolarHBondContact CA-O 3.18Å
170	M	89.6	Confident	95.1	Very high	18 Å²	18	22.7 Å²	22.7	9%	0.089	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-51.1	-177.7	-62.6	-53.2	-65.2	0	0	112.4	D167 V168 I516 N518 A687	D167-M170 PolarHBondContact O-N 3.13Å; V168-M170 PolarHBondContact O-N 2.83Å; M170-I516 HydrophobicContact CE-CB 4.04Å; M170-I516 HydrophobicContact CE-CD1 4.5Å; M170-I516 HydrophobicContact CE-CG2 4.31Å; M170-I516 VanDerWaalsContact O-CD1 3.25Å; M170-I516 WeakPolarHBondContact O-CD1 3.09Å; M170-I516 HydrophobicContact SD-CB 4.11Å; M170-I516 HydrophobicContact SD-CG2 3.7Å; M170-N518 VanDerWaalsContact CG-ND2 3.32Å; M170-N518 WeakPolarHBondContact CG-ND2 3.5Å; M170-N518 HydrophobicContact SD-CB 3.61Å; M170-N518 PolarHBondContact SD-ND2 3.25Å; M170-N518 VanDerWaalsContact SD-ND2 3.39Å; M170-A687 HydrophobicContact CE-CB 3.4Å; M170-A687 VanDerWaalsContact CE-CB 3.4Å; M170-A687 WeakPolarHBondContact CE-O 3.21Å
171	A	87.6	Confident	95.1	Very high	39 Å²	39	19.8 Å²	19.8	32%	0.322	11%	0.106	S	C	.	.	S	Bend	trans	-90.2	-8.3	-174.9	0	0	0	0	0	114	L151	L151-A171 HydrophobicContact CG-CB 4.05Å
172	G	90.7	Very high	95.1	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.108	C	C	.	.	S	Bend	trans	171.1	-163	-175.5	0	0	0	0	0	111.6	F124 A148 G169	F124-G172 CarbonylContact O-C 3.37Å; A148-G172 WeakPolarHBondContact O-CA 3.25Å; G169-G172 CarbonylContact C-O 3.35Å; G169-G172 WeakPolarHBondContact CA-O 3.18Å
173	V	93.1	Very high	95.2	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.093	C	C	.	.	B	Isolated β-bridge	trans	-72	136.9	179	-61.7	0	0	0	0	111.3	F124 V127 S130 V147 A148 F149 D150 I175 L184	F124-V173 WeakPolarHBondContact O-CA 3.13Å; F124-V173 WeakPolarHBondContact O-CG1 3.41Å; F124-V173 PolarHBondContact O-N 2.69Å; V127-V173 HydrophobicContact CG1-CB 4.37Å; S130-V173 WeakPolarHBondContact OG-CG1 3.47Å; V147-V173 HydrophobicContact CG1-CG2 3.87Å; A148-V173 WeakPolarHBondContact O-CG2 3.29Å; A148-V173 PolarHBondContact O-N 3.26Å; F149-V173 WeakPolarHBondContact CA-O 3.44Å; F149-V173 HydrophobicContact CD1-CG2 3.93Å; F149-V173 HydrophobicContact CE1-CG2 4.37Å; D150-V173 PolarHBondContact N-O 3.28Å; V173-I175 HydrophobicContact CG2-CD1 4.1Å; V173-I175 HydrophobicContact CG2-CG1 3.98Å; V173-L184 HydrophobicContact CG1-CD1 4.14Å; V173-L184 HydrophobicContact CG2-CD2 4.39Å
174	A	96.2	Very high	95.3	Very high	2 Å²	2	14.2 Å²	14.2	2%	0.017	8%	0.075	C	C	.	.			trans	-79.8	126.8	167.3	0	0	0	0	0	110.1	D150 V168 Q525	D150-A174 WeakPolarHBondContact OD2-CA 3.28Å; D150-A174 VanDerWaalsContact OD2-CB 3.31Å; D150-A174 WeakPolarHBondContact OD2-CB 3.43Å; V168-A174 HydrophobicContact CG1-CB 4.08Å; A174-Q525 HydrophobicContact CB-CG 4.09Å
175	I	98.1	Very high	95.3	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.075	C	C	.	.			trans	-129.1	112	175.9	-58.3	-65	0	0	0	108.1	V127 F149 T153 V173 D180 T181 L184 M209 V573	V127-I175 HydrophobicContact CG1-CD1 3.79Å; F149-I175 HydrophobicContact CD1-CG1 3.81Å; F149-I175 HydrophobicContact CE1-CG1 3.92Å; T153-I175 HydrophobicContact CG2-CB 3.93Å; T153-I175 PolarHBondContact OG1-N 3.15Å; T153-I175 PolarHBondContact OG1-O 2.8Å; V173-I175 HydrophobicContact CG2-CD1 4.1Å; V173-I175 HydrophobicContact CG2-CG1 3.98Å; I175-D180 HydrophobicContact CD1-CB 3.68Å; I175-D180 HydrophobicContact CG2-CB 4.36Å; I175-T181 HydrophobicContact CD1-CG2 4.1Å; I175-T181 HydrophobicContact CG2-CG2 3.85Å; I175-L184 HydrophobicContact CD1-CD2 4.46Å; I175-M209 HydrophobicContact CG2-SD 3.92Å; I175-V573 HydrophobicContact CG2-CG2 4.4Å; I175-V573 VanDerWaalsContact O-CG2 3.29Å; I175-V573 WeakPolarHBondContact O-CG2 3.24Å
176	D	98.8	Very high	95.6	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.094	C	C	.	.			trans	-104.2	-33.1	173.3	-53.7	-47.3	0	0	0	111.3	D158 S159 D180 M209 Q525 L529 S572 V573	D158-D176 WeakPolarHBondContact CA-OD1 3.26Å; S159-D176 WeakPolarHBondContact CB-OD1 3.38Å; S159-D176 PolarHBondContact N-OD1 3.39Å; S159-D176 PolarHBondContact OG-OD1 3.33Å; S159-D176 PolarHBondContact OG-OD2 2.88Å; D176-D180 PolarHBondContact N-OD2 3.38Å; D176-M209 WeakPolarHBondContact O-CE 3.15Å; D176-Q525 WeakPolarHBondContact OD2-CG 3.43Å; D176-Q525 PolarHBondContact OD2-NE2 2.77Å; D176-L529 HydrophobicContact CB-CD1 4.01Å; D176-S572 CarbonylContact O-C 3.57Å; D176-S572 WeakPolarHBondContact O-CA 3.44Å; D176-S572 VanDerWaalsContact O-CB 3.28Å; D176-S572 WeakPolarHBondContact O-CB 3.38Å; D176-V573 PolarHBondContact O-N 2.99Å
177	T	98.9	Very high	95.8	Very high	3 Å²	3	20.3 Å²	20.3	2%	0.018	12%	0.122	C	C	.	.	S	Bend	trans	-141.6	171.4	-174.1	70.8	0	0	0	0	112.1	E179 D180 L529 V532	T177-E179 PolarHBondContact O-N 2.68Å; T177-E179 VanDerWaalsContact O-N 3.15Å; T177-E179 PolarHBondContact OG1-N 3.3Å; T177-D180 PolarHBondContact N-OD2 3.35Å; T177-D180 WeakPolarHBondContact O-CB 3.29Å; T177-D180 PolarHBondContact O-N 3.11Å; T177-D180 VanDerWaalsContact O-N 3.08Å; T177-D180 PolarHBondContact OG1-OD2 3.25Å; T177-L529 HydrophobicContact CG2-CD1 3.78Å; T177-V532 HydrophobicContact CG2-CB 4.49Å; T177-V532 HydrophobicContact CG2-CG1 4.02Å
178	V	98.8	Very high	95.8	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-58.8	-25.3	174.3	69.8	0	0	0	0	113.2	D180 T181 K182 M209 V212 A567 R570	V178-D180 VanDerWaalsContact C-N 3.27Å; V178-D180 PolarHBondContact O-N 2.82Å; V178-T181 WeakPolarHBondContact CA-OG1 3.45Å; V178-T181 PolarHBondContact O-N 3.46Å; V178-T181 PolarHBondContact O-OG1 3.44Å; V178-K182 HydrophobicContact CG2-CD 4.33Å; V178-K182 HydrophobicContact CG2-CG 4.45Å; V178-K182 VanDerWaalsContact O-CG 3.25Å; V178-K182 WeakPolarHBondContact O-CG 3.36Å; V178-K182 PolarHBondContact O-N 3.07Å; V178-M209 HydrophobicContact CB-CB 4.45Å; V178-M209 HydrophobicContact CB-CG 4.19Å; V178-V212 HydrophobicContact CG2-CB 3.85Å; V178-V212 HydrophobicContact CG2-CG1 3.72Å; V178-A567 WeakPolarHBondContact CG1-O 3.44Å; V178-R570 HydrophobicContact CG1-CG 4.22Å
179	E	98.6	Very high	95.8	Very high	53 Å²	53	22.8 Å²	22.8	25%	0.248	14%	0.138	C	C	.	.	H	α-helix	trans	-67.1	-31.6	178.3	-57.9	-55.3	148.3	0	0	111.5	T177 K182 M183 V532 R570	T177-E179 PolarHBondContact O-N 2.68Å; T177-E179 VanDerWaalsContact O-N 3.15Å; T177-E179 PolarHBondContact OG1-N 3.3Å; E179-K182 PolarHBondContact O-N 2.92Å; E179-K182 IonicContact OE1-NZ 3.92Å; E179-K182 PolarHBondContact OE1-NZ 2.7Å; E179-K182 WeakPolarHBondContact OE2-CD 3.35Å; E179-K182 VanDerWaalsContact OE2-CE 3.29Å; E179-K182 WeakPolarHBondContact OE2-CE 3.21Å; E179-K182 IonicContact OE2-NZ 2.7Å; E179-K182 PolarHBondContact OE2-NZ 3.32Å; E179-M183 VanDerWaalsContact O-CG 3.29Å; E179-M183 WeakPolarHBondContact O-CG 2.94Å; E179-M183 PolarHBondContact O-N 2.94Å; E179-V532 HydrophobicContact CB-CG2 4.39Å; E179-V532 HydrophobicContact CG-CG2 3.99Å; E179-R570 IonicContact OE1-CZ 3.55Å; E179-R570 VanDerWaalsContact OE1-CZ 3.32Å; E179-R570 IonicContact OE1-NE 3.65Å; E179-R570 PolarHBondContact OE1-NE 2.93Å; E179-R570 IonicContact OE1-NH2 3.41Å; E179-R570 PolarHBondContact OE1-NH2 3.31Å
180	D	98.4	Very high	96	Very high	3 Å²	3	22.9 Å²	22.9	2%	0.016	14%	0.138	C	C	.	.	H	α-helix	trans	-69	-43.3	175.4	-55.3	-58	0	0	0	111.3	V127 I175 D176 T177 V178 K182 M183 L184 Q525	V127-D180 HydrophobicContact CG1-CB 4.27Å; I175-D180 HydrophobicContact CD1-CB 3.68Å; I175-D180 HydrophobicContact CG2-CB 4.36Å; D176-D180 PolarHBondContact N-OD2 3.38Å; T177-D180 PolarHBondContact N-OD2 3.35Å; T177-D180 WeakPolarHBondContact O-CB 3.29Å; T177-D180 PolarHBondContact O-N 3.11Å; T177-D180 VanDerWaalsContact O-N 3.08Å; T177-D180 PolarHBondContact OG1-OD2 3.25Å; V178-D180 VanDerWaalsContact C-N 3.27Å; V178-D180 PolarHBondContact O-N 2.82Å; D180-K182 VanDerWaalsContact C-N 3.31Å; D180-K182 PolarHBondContact O-N 2.87Å; D180-M183 PolarHBondContact O-N 3.04Å; D180-L184 WeakPolarHBondContact O-CB 3.29Å; D180-L184 PolarHBondContact O-N 2.93Å; D180-Q525 VanDerWaalsContact CG-NE2 3.28Å; D180-Q525 PolarHBondContact OD1-NE2 3.45Å; D180-Q525 PolarHBondContact OD2-NE2 3.03Å
181	T	98.1	Very high	96.2	Very high	4 Å²	4	25.7 Å²	25.7	3%	0.025	15%	0.151	C	C	.	.	H	α-helix	trans	-66.7	-33	175.7	50	0	0	0	0	112.3	I175 V178 L184 F185 M209 T213	I175-T181 HydrophobicContact CD1-CG2 4.1Å; I175-T181 HydrophobicContact CG2-CG2 3.85Å; V178-T181 WeakPolarHBondContact CA-OG1 3.45Å; V178-T181 PolarHBondContact O-N 3.46Å; V178-T181 PolarHBondContact O-OG1 3.44Å; T181-L184 PolarHBondContact O-N 3.24Å; T181-F185 VanDerWaalsContact O-CD2 3.23Å; T181-F185 WeakPolarHBondContact O-CD2 3.46Å; T181-F185 PolarHBondContact O-N 2.83Å; T181-F185 VanDerWaalsContact O-N 3.07Å; T181-M209 HydrophobicContact CG2-CB 3.95Å; T181-M209 PolarHBondContact OG1-O 2.96Å; T181-T213 WeakPolarHBondContact CB-OG1 3.36Å; T181-T213 PolarHBondContact OG1-OG1 3.22Å
182	K	98.4	Very high	96.4	Very high	61 Å²	61	31.4 Å²	31.4	27%	0.265	17%	0.169	S	C	.	.	H	α-helix	trans	-62.8	-44.8	172.9	-74.9	167.1	63.5	177	0	111.7	V178 E179 D180 F185 D186 T213 E216	V178-K182 HydrophobicContact CG2-CD 4.33Å; V178-K182 HydrophobicContact CG2-CG 4.45Å; V178-K182 VanDerWaalsContact O-CG 3.25Å; V178-K182 WeakPolarHBondContact O-CG 3.36Å; V178-K182 PolarHBondContact O-N 3.07Å; E179-K182 PolarHBondContact O-N 2.92Å; E179-K182 IonicContact OE1-NZ 3.92Å; E179-K182 PolarHBondContact OE1-NZ 2.7Å; E179-K182 WeakPolarHBondContact OE2-CD 3.35Å; E179-K182 VanDerWaalsContact OE2-CE 3.29Å; E179-K182 WeakPolarHBondContact OE2-CE 3.21Å; E179-K182 IonicContact OE2-NZ 2.7Å; E179-K182 PolarHBondContact OE2-NZ 3.32Å; D180-K182 VanDerWaalsContact C-N 3.31Å; D180-K182 PolarHBondContact O-N 2.87Å; K182-F185 CarbonylContact O-C 3.52Å; K182-F185 PolarHBondContact O-N 2.91Å; K182-D186 PolarHBondContact O-N 2.84Å; K182-T213 HydrophobicContact CG-CG2 4.11Å; K182-E216 WeakPolarHBondContact CD-OE2 3.47Å; K182-E216 WeakPolarHBondContact CE-OE2 3.11Å; K182-E216 IonicContact NZ-OE2 2.77Å; K182-E216 PolarHBondContact NZ-OE2 3.02Å
183	M	97.5	Very high	96.4	Very high	73 Å²	73	32.4 Å²	32.4	36%	0.36	17%	0.174	S	C	.	.	H	α-helix	trans	-65	-41.1	175.1	-66.9	176.7	74.1	0	0	111.7	V127 E128 E179 D180 F185 D186	V127-M183 HydrophobicContact CB-CB 4.4Å; V127-M183 HydrophobicContact CG2-CB 3.73Å; V127-M183 HydrophobicContact CG2-CE 4.31Å; V127-M183 HydrophobicContact CG2-SD 4.34Å; E128-M183 HydrophobicContact CG-CE 3.95Å; E128-M183 WeakPolarHBondContact OE1-CE 3.5Å; E179-M183 VanDerWaalsContact O-CG 3.29Å; E179-M183 WeakPolarHBondContact O-CG 2.94Å; E179-M183 PolarHBondContact O-N 2.94Å; D180-M183 PolarHBondContact O-N 3.04Å; M183-F185 VanDerWaalsContact C-N 3.27Å; M183-F185 PolarHBondContact O-N 3.42Å; M183-D186 PolarHBondContact O-N 3.43Å
184	L	97	Very high	96.5	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.01	18%	0.184	C	C	.	.	H	α-helix	trans	-58.6	-38.8	178.1	-173.4	65.5	0	0	0	112.4	V127 N131 Y134 V147 V173 I175 D180 T181	V127-L184 HydrophobicContact CB-CB 4.23Å; V127-L184 HydrophobicContact CB-CD1 4.26Å; V127-L184 HydrophobicContact CG1-CB 4.26Å; V127-L184 HydrophobicContact CG1-CD1 4.34Å; N131-L184 WeakPolarHBondContact CB-O 3.45Å; N131-L184 PolarHBondContact ND2-O 3.39Å; Y134-L184 HydrophobicContact CD2-CD1 4.43Å; Y134-L184 HydrophobicContact CE2-CD1 3.62Å; Y134-L184 HydrophobicContact CE2-CG 4.07Å; V147-L184 HydrophobicContact CG1-CD2 3.89Å; V147-L184 HydrophobicContact CG2-CD2 4.25Å; V173-L184 HydrophobicContact CG1-CD1 4.14Å; V173-L184 HydrophobicContact CG2-CD2 4.39Å; I175-L184 HydrophobicContact CD1-CD2 4.46Å; D180-L184 WeakPolarHBondContact O-CB 3.29Å; D180-L184 PolarHBondContact O-N 2.93Å; T181-L184 PolarHBondContact O-N 3.24Å
185	F	97.4	Very high	96.4	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.009	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.7	13.9	-178.8	-61.3	-61.8	0	0	0	114.3	V147 T181 K182 M183 G187 I188 L190 V195 F210 T213 Q217	V147-F185 HydrophobicContact CG2-CE1 4.33Å; V147-F185 HydrophobicContact CG2-CZ 3.97Å; T181-F185 VanDerWaalsContact O-CD2 3.23Å; T181-F185 WeakPolarHBondContact O-CD2 3.46Å; T181-F185 PolarHBondContact O-N 2.83Å; T181-F185 VanDerWaalsContact O-N 3.07Å; K182-F185 CarbonylContact O-C 3.52Å; K182-F185 PolarHBondContact O-N 2.91Å; M183-F185 VanDerWaalsContact C-N 3.27Å; M183-F185 PolarHBondContact O-N 3.42Å; F185-G187 PolarHBondContact O-N 3.16Å; F185-I188 HydrophobicContact CD1-CD1 4.43Å; F185-I188 WeakPolarHBondContact O-CB 3.44Å; F185-I188 PolarHBondContact O-N 2.92Å; F185-L190 HydrophobicContact CB-CD1 4.47Å; F185-L190 HydrophobicContact CB-CD2 4.39Å; F185-L190 HydrophobicContact CD1-CD2 3.97Å; F185-L190 HydrophobicContact CE1-CD2 4.42Å; F185-L190 HydrophobicContact CG-CD2 4.06Å; F185-V195 HydrophobicContact CE1-CG1 3.92Å; F185-V195 HydrophobicContact CE1-CG2 4.15Å; F185-V195 HydrophobicContact CZ-CG1 3.74Å; F185-F210 AromaticContact CE2-CD2 3.86Å; F185-F210 HydrophobicContact CE2-CD2 3.86Å; F185-F210 HydrophobicContact CE2-CE2 4.29Å; F185-F210 HydrophobicContact CZ-CD2 4.28Å; F185-F210 HydrophobicContact CZ-CE2 4.4Å; F185-T213 HydrophobicContact CB-CG2 4.24Å; F185-T213 HydrophobicContact CD2-CG2 4.16Å; F185-Q217 PolarHBondContact O-NE2 2.97Å; F185-Q217 VanDerWaalsContact O-NE2 3.16Å
186	D	97.6	Very high	96.3	Very high	107 Å²	107	34.4 Å²	34.4	57%	0.572	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	129.8	177.3	-177.3	37.8	0	0	0	111.2	N131 K182 M183 I188	N131-D186 PolarHBondContact ND2-N 3.44Å; N131-D186 PolarHBondContact ND2-O 3.1Å; K182-D186 PolarHBondContact O-N 2.84Å; M183-D186 PolarHBondContact O-N 3.43Å; D186-I188 PolarHBondContact O-N 3.45Å
187	G	95.4	Very high	96.2	Very high	57 Å²	57	34.6 Å²	34.6	59%	0.588	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.3	11.1	-174.6	0	0	0	0	0	115.9	F185	F185-G187 PolarHBondContact O-N 3.16Å
188	I	95.4	Very high	96	Very high	3 Å²	3	35.1 Å²	35.1	2%	0.015	19%	0.191	C	C	.	.			trans	-106.2	113.3	174.6	-59.3	-179	0	0	0	109	Y134 R135 L145 F185 D186 L190 M193 Q217	Y134-I188 HydrophobicContact CD2-CD1 4.19Å; R135-I188 HydrophobicContact CG-CD1 4.37Å; R135-I188 HydrophobicContact CG-CG1 4.13Å; L145-I188 HydrophobicContact CD1-CD1 3.98Å; L145-I188 HydrophobicContact CD1-CG2 3.8Å; F185-I188 HydrophobicContact CD1-CD1 4.43Å; F185-I188 WeakPolarHBondContact O-CB 3.44Å; F185-I188 PolarHBondContact O-N 2.92Å; D186-I188 PolarHBondContact O-N 3.45Å; I188-L190 PolarHBondContact O-N 2.86Å; I188-L190 VanDerWaalsContact O-N 3.09Å; I188-M193 HydrophobicContact CG2-CB 4.3Å; I188-M193 HydrophobicContact CG2-CG 3.75Å; I188-Q217 PolarHBondContact O-NE2 3.23Å; I188-Q217 PolarHBondContact O-OE1 3.25Å
189	P	94.4	Very high	96	Very high	52 Å²	52	35.1 Å²	35.1	34%	0.338	19%	0.191	S	C	.	.			trans	-74.4	99.9	-176.3	28.5	-33.5	0	0	0	111.9	E191 K192 M193	P189-E191 VanDerWaalsContact C-OE2 3.23Å; P189-E191 WeakPolarHBondContact CA-OE2 3.21Å; P189-E191 WeakPolarHBondContact CB-OE1 3.37Å; P189-E191 WeakPolarHBondContact CB-OE2 3.29Å; P189-E191 PolarHBondContact O-N 3.47Å; P189-K192 HydrophobicContact CB-CD 4.4Å; P189-K192 HydrophobicContact CG-CB 4.36Å; P189-K192 HydrophobicContact CG-CD 4.31Å; P189-K192 PolarHBondContact O-N 3.07Å; P189-M193 WeakPolarHBondContact O-CG 3.13Å; P189-M193 PolarHBondContact O-N 2.97Å; P189-M193 VanDerWaalsContact O-N 3.11Å
190	L	96.1	Very high	96	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.005	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-18.2	-175.8	-69.5	-179.7	0	0	0	114	F185 I188 K192 V195 F210 T213 Q217 V219 L224	F185-L190 HydrophobicContact CB-CD1 4.47Å; F185-L190 HydrophobicContact CB-CD2 4.39Å; F185-L190 HydrophobicContact CD1-CD2 3.97Å; F185-L190 HydrophobicContact CE1-CD2 4.42Å; F185-L190 HydrophobicContact CG-CD2 4.06Å; I188-L190 PolarHBondContact O-N 2.86Å; I188-L190 VanDerWaalsContact O-N 3.09Å; L190-K192 PolarHBondContact O-N 3.21Å; L190-V195 HydrophobicContact CD2-CG2 3.77Å; L190-F210 HydrophobicContact CD1-CE2 4.14Å; L190-F210 HydrophobicContact CD2-CE2 3.92Å; L190-F210 HydrophobicContact CD2-CZ 4.49Å; L190-T213 HydrophobicContact CD1-CG2 4.13Å; L190-Q217 VanDerWaalsContact CG-OE1 3.25Å; L190-V219 HydrophobicContact CB-CG2 4.49Å; L190-L224 HydrophobicContact CB-CD2 4.01Å
191	E	94.4	Very high	96	Very high	77 Å²	77	32.9 Å²	32.9	36%	0.36	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-14.8	173.6	81	-69	174.8	0	0	113.6	P189 V219	P189-E191 VanDerWaalsContact C-OE2 3.23Å; P189-E191 WeakPolarHBondContact CA-OE2 3.21Å; P189-E191 WeakPolarHBondContact CB-OE1 3.37Å; P189-E191 WeakPolarHBondContact CB-OE2 3.29Å; P189-E191 PolarHBondContact O-N 3.47Å; E191-V219 HydrophobicContact CB-CG1 3.78Å; E191-V219 HydrophobicContact CB-CG2 4.04Å
192	K	91.3	Very high	96	Very high	160 Å²	160	32.7 Å²	32.7	70%	0.696	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-113	-22.9	179.5	-61.8	178.4	-173.1	169.9	0	113	P189 L190	P189-K192 HydrophobicContact CB-CD 4.4Å; P189-K192 HydrophobicContact CG-CB 4.36Å; P189-K192 HydrophobicContact CG-CD 4.31Å; P189-K192 PolarHBondContact O-N 3.07Å; L190-K192 PolarHBondContact O-N 3.21Å
193	M	91.5	Very high	96	Very high	21 Å²	21	30.1 Å²	30.1	10%	0.103	17%	0.171	C	C	.	.			trans	-96.4	131.2	-174.2	-65.1	-54.3	-61	0	0	112	I138 L145 I188 P189 V195 T225	I138-M193 HydrophobicContact CD1-CE 3.75Å; I138-M193 HydrophobicContact CD1-SD 4.36Å; I138-M193 HydrophobicContact CG1-CE 3.86Å; L145-M193 HydrophobicContact CD1-CE 4.31Å; L145-M193 HydrophobicContact CD2-CE 4.5Å; L145-M193 HydrophobicContact CG-CE 3.91Å; I188-M193 HydrophobicContact CG2-CB 4.3Å; I188-M193 HydrophobicContact CG2-CG 3.75Å; P189-M193 WeakPolarHBondContact O-CG 3.13Å; P189-M193 PolarHBondContact O-N 2.97Å; P189-M193 VanDerWaalsContact O-N 3.11Å; M193-V195 HydrophobicContact CB-CG2 4.47Å; M193-T225 PolarHBondContact O-OG1 3.21Å
194	S	93.8	Very high	96.1	Very high	30 Å²	30	26.8 Å²	26.8	21%	0.21	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	110.1	168.4	176.9	0	0	0	0	109.8	R119 L145 T225	R119-S194 PolarHBondContact NH1-O 2.79Å; R119-S194 PolarHBondContact NH2-OG 2.93Å; L145-S194 PolarHBondContact N-O 2.97Å; S194-T225 WeakPolarHBondContact CA-O 3.28Å; S194-T225 WeakPolarHBondContact CA-OG1 3.2Å
195	V	95.1	Very high	96.2	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	119	-176.8	-175.8	0	0	0	0	110.6	L145 V147 F185 L190 M193 M197 F210 T225 G226 T227	L145-V195 HydrophobicContact CB-CG2 4.48Å; V147-V195 HydrophobicContact CG2-CG1 4.16Å; F185-V195 HydrophobicContact CE1-CG1 3.92Å; F185-V195 HydrophobicContact CE1-CG2 4.15Å; F185-V195 HydrophobicContact CZ-CG1 3.74Å; L190-V195 HydrophobicContact CD2-CG2 3.77Å; M193-V195 HydrophobicContact CB-CG2 4.47Å; V195-M197 HydrophobicContact CG1-CG 4.07Å; V195-F210 HydrophobicContact CB-CE2 3.98Å; V195-F210 HydrophobicContact CB-CZ 4.16Å; V195-F210 HydrophobicContact CG1-CE2 4.14Å; V195-F210 HydrophobicContact CG2-CE2 4.09Å; V195-F210 HydrophobicContact CG2-CZ 4.41Å; V195-T225 PolarHBondContact N-O 3Å; V195-T225 VanDerWaalsContact N-O 3.11Å; V195-G226 CarbonylContact O-C 3.53Å; V195-G226 WeakPolarHBondContact O-CA 3.35Å; V195-T227 PolarHBondContact O-N 3.21Å
196	S	95.5	Very high	96.2	Very high	14 Å²	14	26.7 Å²	26.7	10%	0.098	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	135	170	-173.6	0	0	0	0	109.6	L145 S146 V147 T227	L145-S196 PolarHBondContact O-N 2.77Å; S146-S196 CarbonylContact C-O 3.37Å; S146-S196 WeakPolarHBondContact CA-O 3.28Å; S146-S196 WeakPolarHBondContact OG-CB 3.26Å; V147-S196 PolarHBondContact N-O 3.14Å; S196-T227 CarbonylContact C-O 3.52Å; S196-T227 VanDerWaalsContact CA-O 3.29Å; S196-T227 WeakPolarHBondContact CA-O 3.36Å
197	M	96.9	Very high	96.3	Very high	4 Å²	4	21.6 Å²	21.6	2%	0.02	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	113.8	-179.3	-69.5	-178	-73.8	0	0	108.6	F149 V195 M199 L207 F210 T227 I228 Q229 F267	F149-M197 HydrophobicContact CE2-CB 3.99Å; F149-M197 HydrophobicContact CE2-CG 4.38Å; F149-M197 HydrophobicContact CZ-CB 4.21Å; F149-M197 HydrophobicContact CZ-CG 4.15Å; F149-M197 HydrophobicContact CZ-SD 4.37Å; V195-M197 HydrophobicContact CG1-CG 4.07Å; M197-M199 VanDerWaalsContact C-N 3.32Å; M197-M199 PolarHBondContact O-N 3.34Å; M197-L207 HydrophobicContact CE-CD1 4.01Å; M197-F210 HydrophobicContact CE-CB 3.77Å; M197-F210 HydrophobicContact CE-CD1 3.55Å; M197-F210 HydrophobicContact CE-CD2 3.98Å; M197-F210 HydrophobicContact CE-CE1 4.1Å; M197-F210 HydrophobicContact CE-CE2 4.49Å; M197-F210 HydrophobicContact CE-CG 3.47Å; M197-F210 VanDerWaalsContact CE-CG 3.47Å; M197-F210 HydrophobicContact SD-CB 3.86Å; M197-F210 HydrophobicContact SD-CD2 4.01Å; M197-F210 HydrophobicContact SD-CG 3.89Å; M197-T227 PolarHBondContact N-O 3.2Å; M197-I228 HydrophobicContact CB-CD1 3.57Å; M197-I228 HydrophobicContact CE-CD1 4.15Å; M197-Q229 PolarHBondContact O-N 2.91Å; M197-F267 HydrophobicContact CE-CE2 4.33Å; M197-F267 HydrophobicContact CE-CZ 3.85Å
198	T	94.6	Very high	96.4	Very high	13 Å²	13	18.9 Å²	18.9	8%	0.08	10%	0.099	C	C	.	.			trans	-84	82.2	176.5	-63.9	0	0	0	0	108.5	Y121 V147 F149 H154	Y121-T198 VanDerWaalsContact CE2-CB 3.42Å; Y121-T198 HydrophobicContact CE2-CG2 4.21Å; Y121-T198 WeakPolarHBondContact CE2-OG1 3.42Å; Y121-T198 VanDerWaalsContact OH-CB 3.26Å; Y121-T198 WeakPolarHBondContact OH-CB 3.42Å; Y121-T198 WeakPolarHBondContact OH-CG2 2.99Å; V147-T198 PolarHBondContact O-N 3.03Å; F149-T198 WeakPolarHBondContact CD2-O 3.31Å; H154-T198 PolarHBondContact CE1-O 3.22Å; H154-T198 PolarHBondContact NE2-O 3.13Å
199	M	98.1	Very high	96.6	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.098	C	C	.	.			trans	-138	140.8	179.5	-179.3	55.6	59	0	0	110.2	F149 T153 H154 M197 A202 V203 V206 I228 N230	F149-M199 HydrophobicContact CB-CE 3.56Å; F149-M199 HydrophobicContact CD1-CE 4.19Å; F149-M199 HydrophobicContact CD2-CB 4.21Å; F149-M199 HydrophobicContact CD2-CE 3.47Å; F149-M199 VanDerWaalsContact CD2-CE 3.47Å; F149-M199 HydrophobicContact CE2-CB 4.04Å; F149-M199 HydrophobicContact CE2-CE 4.19Å; F149-M199 HydrophobicContact CG-CE 3.46Å; F149-M199 VanDerWaalsContact CG-CE 3.46Å; T153-M199 HydrophobicContact CG2-CE 3.86Å; H154-M199 HydrophobicContact CB-CE 4.39Å; M197-M199 VanDerWaalsContact C-N 3.32Å; M197-M199 PolarHBondContact O-N 3.34Å; M199-A202 HydrophobicContact SD-CB 4.04Å; M199-V203 HydrophobicContact CG-CB 4.46Å; M199-V206 HydrophobicContact CB-CG1 4.25Å; M199-V206 HydrophobicContact CE-CG2 4.09Å; M199-V206 HydrophobicContact CG-CB 3.9Å; M199-V206 HydrophobicContact CG-CG1 4.03Å; M199-V206 HydrophobicContact CG-CG2 4.02Å; M199-V206 HydrophobicContact SD-CG2 4.33Å; M199-I228 HydrophobicContact CB-CD1 3.87Å; M199-N230 PolarHBondContact O-N 3.02Å
200	N	98.6	Very high	96.8	Very high	2 Å²	2	16.3 Å²	16.3	1%	0.011	8%	0.083	C	C	.	.	S	Bend	trans	-138.8	-61.4	-175.4	-49.8	-82.5	0	0	0	112.2	V203 Q229 N230 D231 K234 E235	N200-V203 VanDerWaalsContact O-CB 3.24Å; N200-V203 WeakPolarHBondContact O-CB 3.36Å; N200-V203 WeakPolarHBondContact O-CG1 3.41Å; N200-V203 PolarHBondContact O-N 3.14Å; N200-Q229 PolarHBondContact ND2-OE1 2.56Å; N200-Q229 WeakPolarHBondContact OD1-CB 3.25Å; N200-Q229 WeakPolarHBondContact OD1-CG 3.04Å; N200-Q229 PolarHBondContact OD1-OE1 3.4Å; N200-N230 PolarHBondContact OD1-N 3.45Å; N200-N230 VanDerWaalsContact OD1-N 3.12Å; N200-D231 PolarHBondContact OD1-N 3.4Å; N200-D231 PolarHBondContact OD1-O 3.09Å; N200-K234 PolarHBondContact ND2-NZ 3.38Å; N200-K234 VanDerWaalsContact ND2-NZ 3.19Å; N200-K234 PolarHBondContact OD1-NZ 2.93Å; N200-E235 HydrophobicContact CB-CG 3.81Å; N200-E235 WeakPolarHBondContact CB-OE1 3.45Å; N200-E235 PolarHBondContact ND2-OE1 3.29Å
201	G	98.1	Very high	96.9	Very high	7 Å²	7	16.3 Å²	16.3	7%	0.072	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-63.8	-179.4	0	0	0	0	0	112.5	H154 V203 T241	H154-G201 WeakPolarHBondContact O-CA 3.5Å; G201-V203 PolarHBondContact O-N 2.9Å; G201-V203 VanDerWaalsContact O-N 3.17Å; G201-T241 VanDerWaalsContact CA-O 3.24Å; G201-T241 WeakPolarHBondContact CA-O 3.29Å
202	A	98.6	Very high	97.2	Very high	1 Å²	1	12.6 Å²	12.6	1%	0.008	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	35.8	176.6	0	0	0	0	0	113.2	T153 H154 M199 I204 P205 V206 I243 V573	T153-A202 WeakPolarHBondContact O-CB 3.36Å; H154-A202 PolarHBondContact O-N 3.4Å; M199-A202 HydrophobicContact SD-CB 4.04Å; A202-I204 VanDerWaalsContact C-N 3.29Å; A202-I204 PolarHBondContact O-N 3.19Å; A202-P205 HydrophobicContact CB-CG 4.03Å; A202-P205 VanDerWaalsContact O-CD 3.27Å; A202-P205 WeakPolarHBondContact O-CD 3.28Å; A202-P205 WeakPolarHBondContact O-CG 3.5Å; A202-V206 HydrophobicContact CB-CG2 4.44Å; A202-V206 WeakPolarHBondContact O-CB 3.36Å; A202-V206 WeakPolarHBondContact O-CG2 3.45Å; A202-V206 PolarHBondContact O-N 3.06Å; A202-I243 HydrophobicContact CB-CD1 4.16Å; A202-V573 HydrophobicContact CB-CG1 4.17Å
203	V	98.8	Very high	97.5	Very high	6 Å²	6	5.1 Å²	5.1	4%	0.036	3%	0.033	C	C	.	.	H	α-helix	trans	-60.8	-36.5	-175.5	63.6	0	0	0	0	113.3	M199 N200 G201 L207 I228 N230 I256	M199-V203 HydrophobicContact CG-CB 4.46Å; N200-V203 VanDerWaalsContact O-CB 3.24Å; N200-V203 WeakPolarHBondContact O-CB 3.36Å; N200-V203 WeakPolarHBondContact O-CG1 3.41Å; N200-V203 PolarHBondContact O-N 3.14Å; G201-V203 PolarHBondContact O-N 2.9Å; G201-V203 VanDerWaalsContact O-N 3.17Å; V203-L207 WeakPolarHBondContact O-CB 3.34Å; V203-L207 PolarHBondContact O-N 2.83Å; V203-I228 HydrophobicContact CG2-CD1 4.17Å; V203-I228 HydrophobicContact CG2-CG1 3.54Å; V203-N230 HydrophobicContact CG2-CB 4.04Å; V203-I256 HydrophobicContact CB-CD1 4.36Å; V203-I256 HydrophobicContact CG1-CD1 3.67Å; V203-I256 HydrophobicContact CG2-CD1 3.78Å
204	I	98.9	Very high	97.8	Very high	4 Å²	4	4.1 Å²	4.1	2%	0.021	3%	0.028	C	C	.	.	H	α-helix	trans	-62.4	-59	-178.8	-66.7	-67.8	0	0	0	111.8	A202 A208 A252 I256 L559 L560 A563 I576 M580	A202-I204 VanDerWaalsContact C-N 3.29Å; A202-I204 PolarHBondContact O-N 3.19Å; I204-A208 VanDerWaalsContact O-CB 3.28Å; I204-A208 WeakPolarHBondContact O-CB 3.49Å; I204-A208 PolarHBondContact O-N 2.77Å; I204-A252 HydrophobicContact CD1-CB 4.3Å; I204-A252 HydrophobicContact CG1-CB 4.24Å; I204-I256 HydrophobicContact CD1-CD1 3.87Å; I204-I256 HydrophobicContact CD1-CG1 3.83Å; I204-L559 HydrophobicContact CD1-CB 4.16Å; I204-L560 HydrophobicContact CD1-CB 4.21Å; I204-A563 HydrophobicContact CG2-CB 3.34Å; I204-I576 HydrophobicContact CG2-CG2 4.35Å; I204-M580 HydrophobicContact CB-CE 4.02Å; I204-M580 HydrophobicContact CB-SD 4.45Å; I204-M580 HydrophobicContact CG1-CE 4.45Å; I204-M580 HydrophobicContact CG1-SD 4.35Å; I204-M580 HydrophobicContact CG2-CE 4.03Å; I204-M580 HydrophobicContact CG2-SD 4.3Å
205	P	98.8	Very high	98.1	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-64.8	-40.8	179.3	22.7	-32.9	0	0	0	113	A202 A208 M209 V573 I576	A202-P205 HydrophobicContact CB-CG 4.03Å; A202-P205 VanDerWaalsContact O-CD 3.27Å; A202-P205 WeakPolarHBondContact O-CD 3.28Å; A202-P205 WeakPolarHBondContact O-CG 3.5Å; P205-A208 WeakPolarHBondContact O-CB 3.48Å; P205-A208 PolarHBondContact O-N 2.88Å; P205-M209 HydrophobicContact CB-CE 4.4Å; P205-M209 VanDerWaalsContact O-CG 3.25Å; P205-M209 WeakPolarHBondContact O-CG 3.48Å; P205-M209 PolarHBondContact O-N 3.06Å; P205-V573 HydrophobicContact CB-CB 4.47Å; P205-V573 HydrophobicContact CB-CG2 4.24Å; P205-V573 HydrophobicContact CG-CG1 4.11Å; P205-I576 HydrophobicContact CB-CB 4Å; P205-I576 HydrophobicContact CB-CD1 3.98Å; P205-I576 HydrophobicContact CB-CG2 3.81Å; P205-I576 HydrophobicContact CG-CG2 4.2Å
206	V	98.8	Very high	98.2	Very high	1 Å²	1	9 Å²	9	1%	0.006	5%	0.047	C	C	.	.	H	α-helix	trans	-66.8	-43.1	-177.2	171.3	0	0	0	0	111.8	F149 T153 M199 A202 A208 M209 F210	F149-V206 HydrophobicContact CE1-CG1 3.86Å; F149-V206 HydrophobicContact CE2-CG1 4.24Å; F149-V206 HydrophobicContact CZ-CG1 3.61Å; T153-V206 HydrophobicContact CG2-CG2 3.85Å; M199-V206 HydrophobicContact CB-CG1 4.25Å; M199-V206 HydrophobicContact CE-CG2 4.09Å; M199-V206 HydrophobicContact CG-CB 3.9Å; M199-V206 HydrophobicContact CG-CG1 4.03Å; M199-V206 HydrophobicContact CG-CG2 4.02Å; M199-V206 HydrophobicContact SD-CG2 4.33Å; A202-V206 HydrophobicContact CB-CG2 4.44Å; A202-V206 WeakPolarHBondContact O-CB 3.36Å; A202-V206 WeakPolarHBondContact O-CG2 3.45Å; A202-V206 PolarHBondContact O-N 3.06Å; V206-A208 VanDerWaalsContact C-N 3.34Å; V206-M209 PolarHBondContact O-N 3.28Å; V206-F210 PolarHBondContact O-N 3.46Å
207	L	98.8	Very high	98.4	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-66.9	-37.8	175.9	-177.2	57.5	0	0	0	111.3	M197 V203 F210 I211 I228 I256 F267 L560	M197-L207 HydrophobicContact CE-CD1 4.01Å; V203-L207 WeakPolarHBondContact O-CB 3.34Å; V203-L207 PolarHBondContact O-N 2.83Å; L207-F210 HydrophobicContact CD1-CD1 4.29Å; L207-F210 PolarHBondContact O-N 3.4Å; L207-I211 HydrophobicContact CD1-CD1 4.47Å; L207-I211 HydrophobicContact CG-CD1 4.12Å; L207-I211 WeakPolarHBondContact O-CD1 3.5Å; L207-I211 VanDerWaalsContact O-CG1 3.29Å; L207-I211 WeakPolarHBondContact O-CG1 3.25Å; L207-I211 PolarHBondContact O-N 3.46Å; L207-I228 HydrophobicContact CD2-CG2 4.43Å; L207-I256 HydrophobicContact CD2-CG2 3.98Å; L207-F267 HydrophobicContact CD1-CE1 3.93Å; L207-F267 HydrophobicContact CD1-CZ 3.91Å; L207-L560 HydrophobicContact CB-CD1 4.11Å; L207-L560 HydrophobicContact CD2-CD1 4.12Å; L207-L560 HydrophobicContact CD2-CD2 3.62Å; L207-L560 HydrophobicContact CG-CD1 4.05Å; L207-L560 HydrophobicContact CG-CD2 4.21Å
208	A	98.9	Very high	98.4	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-60	-45.7	174.2	0	0	0	0	0	112.2	I204 P205 V206 F210 I211 V212 L560 A563 V564 A567	I204-A208 VanDerWaalsContact O-CB 3.28Å; I204-A208 WeakPolarHBondContact O-CB 3.49Å; I204-A208 PolarHBondContact O-N 2.77Å; P205-A208 WeakPolarHBondContact O-CB 3.48Å; P205-A208 PolarHBondContact O-N 2.88Å; V206-A208 VanDerWaalsContact C-N 3.34Å; A208-F210 PolarHBondContact O-N 3.28Å; A208-I211 WeakPolarHBondContact O-CB 3.11Å; A208-I211 PolarHBondContact O-N 2.89Å; A208-V212 WeakPolarHBondContact O-CG2 3.48Å; A208-V212 PolarHBondContact O-N 2.96Å; A208-L560 HydrophobicContact CB-CD1 4.28Å; A208-A563 VanDerWaalsContact CB-C 3.46Å; A208-A563 HydrophobicContact CB-CB 3.84Å; A208-A563 WeakPolarHBondContact CB-O 3.48Å; A208-V564 HydrophobicContact CB-CG2 3.95Å; A208-A567 HydrophobicContact CB-CB 4.04Å
209	M	98.8	Very high	98.6	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-64.4	-37.8	177.6	-69.4	172.1	-173.5	0	0	112.5	I175 D176 V178 T181 P205 V206 V212 T213 A567 V573 I576	I175-M209 HydrophobicContact CG2-SD 3.92Å; D176-M209 WeakPolarHBondContact O-CE 3.15Å; V178-M209 HydrophobicContact CB-CB 4.45Å; V178-M209 HydrophobicContact CB-CG 4.19Å; T181-M209 HydrophobicContact CG2-CB 3.95Å; T181-M209 PolarHBondContact OG1-O 2.96Å; P205-M209 HydrophobicContact CB-CE 4.4Å; P205-M209 VanDerWaalsContact O-CG 3.25Å; P205-M209 WeakPolarHBondContact O-CG 3.48Å; P205-M209 PolarHBondContact O-N 3.06Å; V206-M209 PolarHBondContact O-N 3.28Å; M209-V212 PolarHBondContact O-N 3.44Å; M209-T213 WeakPolarHBondContact O-CB 3.42Å; M209-T213 PolarHBondContact O-N 3.42Å; M209-T213 PolarHBondContact O-OG1 2.94Å; M209-A567 HydrophobicContact CG-CB 3.95Å; M209-V573 HydrophobicContact CE-CB 4.42Å; M209-V573 HydrophobicContact CE-CG2 3.54Å; M209-V573 HydrophobicContact SD-CG2 3.75Å; M209-I576 HydrophobicContact CE-CD1 4.48Å
210	F	98.8	Very high	98.6	Very high	2 Å²	2	16.7 Å²	16.7	1%	0.009	10%	0.103	C	C	.	.	H	α-helix	trans	-61.7	-44.5	171.8	174.7	-105.5	0	0	0	112.2	F185 L190 V195 M197 V206 L207 A208 T213 G214 L224 F267	F185-F210 AromaticContact CE2-CD2 3.86Å; F185-F210 HydrophobicContact CE2-CD2 3.86Å; F185-F210 HydrophobicContact CE2-CE2 4.29Å; F185-F210 HydrophobicContact CZ-CD2 4.28Å; F185-F210 HydrophobicContact CZ-CE2 4.4Å; L190-F210 HydrophobicContact CD1-CE2 4.14Å; L190-F210 HydrophobicContact CD2-CE2 3.92Å; L190-F210 HydrophobicContact CD2-CZ 4.49Å; V195-F210 HydrophobicContact CB-CE2 3.98Å; V195-F210 HydrophobicContact CB-CZ 4.16Å; V195-F210 HydrophobicContact CG1-CE2 4.14Å; V195-F210 HydrophobicContact CG2-CE2 4.09Å; V195-F210 HydrophobicContact CG2-CZ 4.41Å; M197-F210 HydrophobicContact CE-CB 3.77Å; M197-F210 HydrophobicContact CE-CD1 3.55Å; M197-F210 HydrophobicContact CE-CD2 3.98Å; M197-F210 HydrophobicContact CE-CE1 4.1Å; M197-F210 HydrophobicContact CE-CE2 4.49Å; M197-F210 HydrophobicContact CE-CG 3.47Å; M197-F210 VanDerWaalsContact CE-CG 3.47Å; M197-F210 HydrophobicContact SD-CB 3.86Å; M197-F210 HydrophobicContact SD-CD2 4.01Å; M197-F210 HydrophobicContact SD-CG 3.89Å; V206-F210 PolarHBondContact O-N 3.46Å; L207-F210 HydrophobicContact CD1-CD1 4.29Å; L207-F210 PolarHBondContact O-N 3.4Å; A208-F210 PolarHBondContact O-N 3.28Å; F210-T213 PolarHBondContact O-N 3.44Å; F210-G214 PolarHBondContact O-N 3.1Å; F210-L224 HydrophobicContact CE1-CB 4.3Å; F210-L224 HydrophobicContact CE1-CD1 4.13Å; F210-L224 HydrophobicContact CE1-CD2 4.41Å; F210-L224 HydrophobicContact CZ-CD2 4.29Å; F210-F267 HydrophobicContact CD1-CE2 4.43Å; F210-F267 HydrophobicContact CE1-CD2 4.44Å; F210-F267 AromaticContact CE1-CE2 3.81Å; F210-F267 HydrophobicContact CE1-CE2 3.81Å
211	I	98.8	Very high	98.6	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-60.7	-50.7	177.1	-70.6	162.6	0	0	0	110.5	L207 A208 T213 G214 E215 K221 Y259 M264 L560 V564	L207-I211 HydrophobicContact CD1-CD1 4.47Å; L207-I211 HydrophobicContact CG-CD1 4.12Å; L207-I211 WeakPolarHBondContact O-CD1 3.5Å; L207-I211 VanDerWaalsContact O-CG1 3.29Å; L207-I211 WeakPolarHBondContact O-CG1 3.25Å; L207-I211 PolarHBondContact O-N 3.46Å; A208-I211 WeakPolarHBondContact O-CB 3.11Å; A208-I211 PolarHBondContact O-N 2.89Å; I211-T213 VanDerWaalsContact C-N 3.3Å; I211-T213 PolarHBondContact O-N 3.04Å; I211-G214 PolarHBondContact O-N 3.09Å; I211-G214 VanDerWaalsContact O-N 3.11Å; I211-E215 WeakPolarHBondContact O-CG 3.48Å; I211-E215 PolarHBondContact O-N 2.87Å; I211-K221 HydrophobicContact CG2-CD 3.75Å; I211-K221 HydrophobicContact CG2-CG 4.01Å; I211-Y259 HydrophobicContact CD1-CE1 3.92Å; I211-M264 HydrophobicContact CD1-SD 3.73Å; I211-M264 HydrophobicContact CG1-CE 4.11Å; I211-M264 HydrophobicContact CG1-SD 3.82Å; I211-L560 HydrophobicContact CD1-CD1 4.36Å; I211-L560 HydrophobicContact CD1-CD2 4.33Å; I211-L560 HydrophobicContact CD1-CG 4.5Å; I211-V564 HydrophobicContact CB-CG2 4.15Å; I211-V564 HydrophobicContact CD1-CG2 3.84Å; I211-V564 HydrophobicContact CG2-CG1 4.18Å; I211-V564 HydrophobicContact CG2-CG2 4Å
212	V	98.9	Very high	98.5	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-63.7	-36.9	-179.8	178	0	0	0	0	111.2	V178 A208 M209 G214 E215 E216 V564 A567 R568	V178-V212 HydrophobicContact CG2-CB 3.85Å; V178-V212 HydrophobicContact CG2-CG1 3.72Å; A208-V212 WeakPolarHBondContact O-CG2 3.48Å; A208-V212 PolarHBondContact O-N 2.96Å; M209-V212 PolarHBondContact O-N 3.44Å; V212-G214 VanDerWaalsContact C-N 3.33Å; V212-G214 PolarHBondContact O-N 2.82Å; V212-E215 PolarHBondContact O-N 3.11Å; V212-E216 HydrophobicContact CG1-CG 4.24Å; V212-E216 WeakPolarHBondContact O-CG 3.49Å; V212-E216 PolarHBondContact O-N 3.23Å; V212-V564 HydrophobicContact CG2-CG1 3.98Å; V212-V564 WeakPolarHBondContact CG2-O 3.46Å; V212-A567 HydrophobicContact CG2-CB 4.02Å; V212-R568 HydrophobicContact CG1-CB 4.27Å; V212-R568 HydrophobicContact CG1-CG 4.41Å; V212-R568 HydrophobicContact CG2-CB 4.21Å
213	T	98.8	Very high	98.5	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.012	15%	0.152	C	C	.	.	H	α-helix	trans	-59.5	-43.9	173.1	-59.8	0	0	0	0	111.5	T181 K182 F185 L190 M209 F210 I211 E216 Q217	T181-T213 WeakPolarHBondContact CB-OG1 3.36Å; T181-T213 PolarHBondContact OG1-OG1 3.22Å; K182-T213 HydrophobicContact CG-CG2 4.11Å; F185-T213 HydrophobicContact CB-CG2 4.24Å; F185-T213 HydrophobicContact CD2-CG2 4.16Å; L190-T213 HydrophobicContact CD1-CG2 4.13Å; M209-T213 WeakPolarHBondContact O-CB 3.42Å; M209-T213 PolarHBondContact O-N 3.42Å; M209-T213 PolarHBondContact O-OG1 2.94Å; F210-T213 PolarHBondContact O-N 3.44Å; I211-T213 VanDerWaalsContact C-N 3.3Å; I211-T213 PolarHBondContact O-N 3.04Å; T213-E216 PolarHBondContact O-N 2.91Å; T213-Q217 WeakPolarHBondContact O-CG 3.29Å; T213-Q217 PolarHBondContact O-N 3.48Å
214	G	98.5	Very high	98.4	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-61.1	-44.5	173.3	0	0	0	0	0	112.9	F210 I211 V212 E216 Q217 G218 V219	F210-G214 PolarHBondContact O-N 3.1Å; I211-G214 PolarHBondContact O-N 3.09Å; I211-G214 VanDerWaalsContact O-N 3.11Å; V212-G214 VanDerWaalsContact C-N 3.33Å; V212-G214 PolarHBondContact O-N 2.82Å; G214-E216 PolarHBondContact O-N 3.09Å; G214-Q217 PolarHBondContact O-N 3.29Å; G214-G218 PolarHBondContact O-N 2.97Å; G214-V219 WeakPolarHBondContact O-CA 3.35Å; G214-V219 WeakPolarHBondContact O-CB 3.31Å; G214-V219 PolarHBondContact O-N 3.03Å
215	E	98.6	Very high	98.3	Very high	52 Å²	52	29.4 Å²	29.4	24%	0.243	16%	0.16	C	C	.	.	H	α-helix	trans	-61.6	-42.9	177	-68.8	-176.3	154.8	0	0	112.1	I211 V212 Q217 G218 K221 R568	I211-E215 WeakPolarHBondContact O-CG 3.48Å; I211-E215 PolarHBondContact O-N 2.87Å; V212-E215 PolarHBondContact O-N 3.11Å; E215-Q217 VanDerWaalsContact C-N 3.28Å; E215-Q217 PolarHBondContact O-N 3.43Å; E215-G218 WeakPolarHBondContact O-CA 3.48Å; E215-G218 PolarHBondContact O-N 3.35Å; E215-K221 HydrophobicContact CG-CG 4.38Å; E215-K221 IonicContact OE1-NZ 2.96Å; E215-K221 PolarHBondContact OE1-NZ 3.22Å; E215-R568 IonicContact OE1-NH2 2.82Å; E215-R568 IonicContact OE2-CZ 3.52Å; E215-R568 IonicContact OE2-NE 3.34Å; E215-R568 IonicContact OE2-NH2 2.74Å; E215-R568 PolarHBondContact OE2-NH2 2.8Å
216	E	98.6	Very high	98.1	Very high	80 Å²	80	29.5 Å²	29.5	37%	0.374	16%	0.16	S	C	.	.	H	α-helix	trans	-72	-19.9	178.3	-69.1	-168.9	-174.1	0	0	113	K182 V212 T213 G214 R570	K182-E216 WeakPolarHBondContact CD-OE2 3.47Å; K182-E216 WeakPolarHBondContact CE-OE2 3.11Å; K182-E216 IonicContact NZ-OE2 2.77Å; K182-E216 PolarHBondContact NZ-OE2 3.02Å; V212-E216 HydrophobicContact CG1-CG 4.24Å; V212-E216 WeakPolarHBondContact O-CG 3.49Å; V212-E216 PolarHBondContact O-N 3.23Å; T213-E216 PolarHBondContact O-N 2.91Å; G214-E216 PolarHBondContact O-N 3.09Å; E216-R570 IonicContact OE1-CZ 3.86Å; E216-R570 VanDerWaalsContact OE1-CZ 3.25Å; E216-R570 IonicContact OE1-NH1 3.61Å; E216-R570 PolarHBondContact OE1-NH1 3.41Å; E216-R570 IonicContact OE1-NH2 3.2Å; E216-R570 PolarHBondContact OE1-NH2 3.49Å; E216-R570 IonicContact OE2-NH2 3.48Å; E216-R570 PolarHBondContact OE2-NH2 3.39Å
217	Q	98.3	Very high	98	Very high	72 Å²	72	30.1 Å²	30.1	34%	0.336	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-4.9	165	-71.4	-174.5	0.6	0	0	113.3	F185 I188 L190 T213 G214 E215 V219	F185-Q217 PolarHBondContact O-NE2 2.97Å; F185-Q217 VanDerWaalsContact O-NE2 3.16Å; I188-Q217 PolarHBondContact O-NE2 3.23Å; I188-Q217 PolarHBondContact O-OE1 3.25Å; L190-Q217 VanDerWaalsContact CG-OE1 3.25Å; T213-Q217 WeakPolarHBondContact O-CG 3.29Å; T213-Q217 PolarHBondContact O-N 3.48Å; G214-Q217 PolarHBondContact O-N 3.29Å; E215-Q217 VanDerWaalsContact C-N 3.28Å; E215-Q217 PolarHBondContact O-N 3.43Å; Q217-V219 HydrophobicContact CB-CG2 4.04Å
218	G	98.3	Very high	97.9	Very high	63 Å²	63	30.1 Å²	30.1	65%	0.649	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.8	19.9	-174.4	0	0	0	0	0	113.9	G214 E215 P220	G214-G218 PolarHBondContact O-N 2.97Å; E215-G218 WeakPolarHBondContact O-CA 3.48Å; E215-G218 PolarHBondContact O-N 3.35Å; G218-P220 WeakPolarHBondContact O-CD 3.46Å
219	V	98.3	Very high	97.9	Very high	9 Å²	9	30.4 Å²	30.4	6%	0.055	17%	0.165	C	C	.	.			trans	-91.7	119.2	179.1	-177.1	0	0	0	0	110	L190 E191 G214 Q217 K223 L224	L190-V219 HydrophobicContact CB-CG2 4.49Å; E191-V219 HydrophobicContact CB-CG1 3.78Å; E191-V219 HydrophobicContact CB-CG2 4.04Å; G214-V219 WeakPolarHBondContact O-CA 3.35Å; G214-V219 WeakPolarHBondContact O-CB 3.31Å; G214-V219 PolarHBondContact O-N 3.03Å; Q217-V219 HydrophobicContact CB-CG2 4.04Å; V219-K223 HydrophobicContact CG1-CB 4Å; V219-L224 HydrophobicContact CB-CD2 4.46Å; V219-L224 HydrophobicContact CG1-CD2 3.87Å; V219-L224 HydrophobicContact CG1-CG 4.41Å
220	P	97.8	Very high	97.9	Very high	50 Å²	50	30.5 Å²	30.5	33%	0.325	17%	0.166	S	C	.	.			trans	-59.7	139	171.7	-22.4	32.8	0	0	0	111.6	G218 E222 K223	G218-P220 WeakPolarHBondContact O-CD 3.46Å; P220-E222 HydrophobicContact CB-CG 4.41Å; P220-E222 WeakPolarHBondContact CB-OE1 3.48Å; P220-E222 VanDerWaalsContact CB-OE2 3.28Å; P220-E222 WeakPolarHBondContact CB-OE2 3.41Å; P220-E222 PolarHBondContact O-N 3.09Å; P220-E222 VanDerWaalsContact O-N 3.1Å; P220-K223 HydrophobicContact CB-CG 4.49Å; P220-K223 HydrophobicContact CG-CD 4.43Å; P220-K223 WeakPolarHBondContact O-CB 3.38Å; P220-K223 PolarHBondContact O-N 2.95Å
221	K	97.9	Very high	97.9	Very high	48 Å²	48	30.4 Å²	30.4	21%	0.209	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-52.9	-36.3	-176.5	-71.1	-173.5	-80.5	-96.5	0	113	I211 E215 K223 L224 H263 M264	I211-K221 HydrophobicContact CG2-CD 3.75Å; I211-K221 HydrophobicContact CG2-CG 4.01Å; E215-K221 HydrophobicContact CG-CG 4.38Å; E215-K221 IonicContact OE1-NZ 2.96Å; E215-K221 PolarHBondContact OE1-NZ 3.22Å; K221-K223 PolarHBondContact O-N 3.18Å; K221-L224 WeakPolarHBondContact O-CB 3.5Å; K221-L224 PolarHBondContact O-N 2.73Å; K221-L224 VanDerWaalsContact O-N 3.11Å; K221-H263 CarbonylContact C-O 3.37Å; K221-H263 WeakPolarHBondContact CB-O 3.46Å; K221-H263 HydrophobicContact CD-CB 4.5Å; K221-M264 HydrophobicContact CB-CG 4.22Å
222	E	97.4	Very high	97.9	Very high	100 Å²	100	30.7 Å²	30.7	47%	0.467	17%	0.167	S	C	.	.	G	3₁₀ helix	trans	-69.7	-13.6	-179.9	68.9	-84.3	-166.6	0	0	114.3	P220 H263 P265	P220-E222 HydrophobicContact CB-CG 4.41Å; P220-E222 WeakPolarHBondContact CB-OE1 3.48Å; P220-E222 VanDerWaalsContact CB-OE2 3.28Å; P220-E222 WeakPolarHBondContact CB-OE2 3.41Å; P220-E222 PolarHBondContact O-N 3.09Å; P220-E222 VanDerWaalsContact O-N 3.1Å; E222-H263 WeakPolarHBondContact CA-O 3.48Å; E222-H263 PolarHBondContact N-O 3.12Å; E222-P265 HydrophobicContact CB-CG 4.39Å
223	K	97.4	Very high	97.8	Very high	104 Å²	104	30.8 Å²	30.8	45%	0.452	17%	0.167	S	C	.	.	G	3₁₀ helix	trans	-91.2	-15.6	173.1	-65.7	-167	-176	173.9	0	113.1	V219 P220 K221 T225	V219-K223 HydrophobicContact CG1-CB 4Å; P220-K223 HydrophobicContact CB-CG 4.49Å; P220-K223 HydrophobicContact CG-CD 4.43Å; P220-K223 WeakPolarHBondContact O-CB 3.38Å; P220-K223 PolarHBondContact O-N 2.95Å; K221-K223 PolarHBondContact O-N 3.18Å; K223-T225 WeakPolarHBondContact O-CG2 3.39Å; K223-T225 PolarHBondContact O-N 2.74Å
224	L	97.4	Very high	97.8	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.167	C	C	.	.			trans	-63.8	129	176.5	-63.1	175.3	0	0	0	109.6	L190 F210 V219 K221 M264	L190-L224 HydrophobicContact CB-CD2 4.01Å; F210-L224 HydrophobicContact CE1-CB 4.3Å; F210-L224 HydrophobicContact CE1-CD1 4.13Å; F210-L224 HydrophobicContact CE1-CD2 4.41Å; F210-L224 HydrophobicContact CZ-CD2 4.29Å; V219-L224 HydrophobicContact CB-CD2 4.46Å; V219-L224 HydrophobicContact CG1-CD2 3.87Å; V219-L224 HydrophobicContact CG1-CG 4.41Å; K221-L224 WeakPolarHBondContact O-CB 3.5Å; K221-L224 PolarHBondContact O-N 2.73Å; K221-L224 VanDerWaalsContact O-N 3.11Å; L224-M264 HydrophobicContact CB-CE 4.1Å; L224-M264 HydrophobicContact CD1-CE 4.09Å
225	T	95.9	Very high	97.8	Very high	35 Å²	35	30.7 Å²	30.7	22%	0.215	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	145	177.8	71.8	0	0	0	0	109.9	M193 S194 V195 K223 K266	M193-T225 PolarHBondContact O-OG1 3.21Å; S194-T225 WeakPolarHBondContact CA-O 3.28Å; S194-T225 WeakPolarHBondContact CA-OG1 3.2Å; V195-T225 PolarHBondContact N-O 3Å; V195-T225 VanDerWaalsContact N-O 3.11Å; K223-T225 WeakPolarHBondContact O-CG2 3.39Å; K223-T225 PolarHBondContact O-N 2.74Å; T225-K266 HydrophobicContact CG2-CB 3.93Å; T225-K266 HydrophobicContact CG2-CD 4.02Å
226	G	94.6	Very high	97.7	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.01	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	157.7	-171.4	-171.4	0	0	0	0	0	113.2	V195 N268	V195-G226 CarbonylContact O-C 3.53Å; V195-G226 WeakPolarHBondContact O-CA 3.35Å; G226-N268 PolarHBondContact O-N 3.17Å; G226-N268 PolarHBondContact O-ND2 3.01Å; G226-N268 VanDerWaalsContact O-ND2 3.13Å
227	T	96.9	Very high	97.5	Very high	15 Å²	15	25.4 Å²	25.4	9%	0.092	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	135.7	176.3	-57.1	0	0	0	0	108.6	V195 S196 M197 N268	V195-T227 PolarHBondContact O-N 3.21Å; S196-T227 CarbonylContact C-O 3.52Å; S196-T227 VanDerWaalsContact CA-O 3.29Å; S196-T227 WeakPolarHBondContact CA-O 3.36Å; M197-T227 PolarHBondContact N-O 3.2Å; T227-N268 WeakPolarHBondContact CA-O 3.49Å; T227-N268 HydrophobicContact CG2-CB 3.96Å; T227-N268 WeakPolarHBondContact OG1-CB 3.17Å; T227-N268 PolarHBondContact OG1-ND2 2.98Å
228	I	98.1	Very high	97.5	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	137.9	162.9	-170	68.1	0	0	0	107.5	M197 M199 V203 L207 N230 F267 N268 S269 I270 S271	M197-I228 HydrophobicContact CB-CD1 3.57Å; M197-I228 HydrophobicContact CE-CD1 4.15Å; M199-I228 HydrophobicContact CB-CD1 3.87Å; V203-I228 HydrophobicContact CG2-CD1 4.17Å; V203-I228 HydrophobicContact CG2-CG1 3.54Å; L207-I228 HydrophobicContact CD2-CG2 4.43Å; I228-N230 HydrophobicContact CG1-CB 4.32Å; I228-N230 HydrophobicContact CG2-CB 3.89Å; I228-F267 HydrophobicContact CB-CE1 3.75Å; I228-F267 HydrophobicContact CB-CZ 4.01Å; I228-F267 HydrophobicContact CG2-CE1 3.64Å; I228-F267 HydrophobicContact CG2-CZ 4.41Å; I228-N268 PolarHBondContact N-O 3.36Å; I228-N268 VanDerWaalsContact N-O 3.12Å; I228-S269 WeakPolarHBondContact CG2-O 3.24Å; I228-I270 CarbonylContact O-C 3.47Å; I228-I270 WeakPolarHBondContact O-CA 3.26Å; I228-S271 PolarHBondContact O-N 2.92Å
229	Q	98.3	Very high	97.4	Very high	5 Å²	5	21.7 Å²	21.7	2%	0.023	11%	0.107	C	C	.	.			trans	-64.9	-53.3	-175.8	-170.1	176.1	89.3	0	0	111.7	M197 N200 D231 I270 S271 H276	M197-Q229 PolarHBondContact O-N 2.91Å; N200-Q229 PolarHBondContact ND2-OE1 2.56Å; N200-Q229 WeakPolarHBondContact OD1-CB 3.25Å; N200-Q229 WeakPolarHBondContact OD1-CG 3.04Å; N200-Q229 PolarHBondContact OD1-OE1 3.4Å; Q229-D231 PolarHBondContact O-N 3.41Å; Q229-I270 WeakPolarHBondContact O-CG1 3.3Å; Q229-S271 PolarHBondContact O-N 3.15Å; Q229-H276 PolarHBondContact NE2-CE1 3.07Å; Q229-H276 VanDerWaalsContact NE2-CE1 3.31Å
230	N	98.5	Very high	97.4	Very high	2 Å²	2	21.4 Å²	21.4	1%	0.011	11%	0.105	C	C	.	.			trans	49.1	30.2	166.6	-164.8	33.1	0	0	0	115.5	M199 N200 V203 I228 I253 I256 S269 I270	M199-N230 PolarHBondContact O-N 3.02Å; N200-N230 PolarHBondContact OD1-N 3.45Å; N200-N230 VanDerWaalsContact OD1-N 3.12Å; V203-N230 HydrophobicContact CG2-CB 4.04Å; I228-N230 HydrophobicContact CG1-CB 4.32Å; I228-N230 HydrophobicContact CG2-CB 3.89Å; N230-I253 WeakPolarHBondContact O-CD1 3.23Å; N230-I253 WeakPolarHBondContact OD1-CG1 3.36Å; N230-I256 WeakPolarHBondContact OD1-CD1 3.31Å; N230-S269 WeakPolarHBondContact CB-O 3.01Å; N230-S269 PolarHBondContact ND2-O 2.82Å; N230-I270 HydrophobicContact CB-CG1 4.42Å; N230-I270 VanDerWaalsContact O-CD1 3.25Å; N230-I270 WeakPolarHBondContact O-CD1 3.26Å; N230-I270 WeakPolarHBondContact O-CG1 3.45Å
231	D	98.4	Very high	97.4	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.09	C	C	.	.			trans	-106.4	93	178.8	-179.2	-23.6	0	0	0	108.1	N200 Q229 L233 K234 I270 I272 S273 Y298	N200-D231 PolarHBondContact OD1-N 3.4Å; N200-D231 PolarHBondContact OD1-O 3.09Å; Q229-D231 PolarHBondContact O-N 3.41Å; D231-L233 PolarHBondContact OD1-N 3.26Å; D231-K234 HydrophobicContact CB-CG 3.95Å; D231-K234 WeakPolarHBondContact O-CG 3.49Å; D231-K234 PolarHBondContact O-NZ 2.77Å; D231-K234 WeakPolarHBondContact OD1-CG 3.27Å; D231-K234 PolarHBondContact OD1-N 3.18Å; D231-K234 VanDerWaalsContact OD1-N 3.16Å; D231-I270 HydrophobicContact CB-CG1 4.49Å; D231-I272 WeakPolarHBondContact OD2-CA 3.38Å; D231-S273 PolarHBondContact OD2-N 2.95Å; D231-Y298 WeakPolarHBondContact CA-OH 3.47Å; D231-Y298 PolarHBondContact OD1-OH 3.4Å
232	I	98.3	Very high	97.4	Very high	7 Å²	7	17.1 Å²	17.1	4%	0.036	8%	0.081	C	C	.	.			trans	-79.1	-24	-179	-155.7	82.8	0	0	0	113.4	K234 E235 F236 M250 I253 Y298	I232-K234 VanDerWaalsContact C-N 3.33Å; I232-K234 PolarHBondContact O-N 3.28Å; I232-E235 HydrophobicContact CD1-CB 4.33Å; I232-E235 HydrophobicContact CD1-CG 4.01Å; I232-E235 HydrophobicContact CG1-CB 4.43Å; I232-E235 HydrophobicContact CG1-CG 4.44Å; I232-E235 VanDerWaalsContact O-CB 3.26Å; I232-E235 WeakPolarHBondContact O-CB 3.47Å; I232-E235 PolarHBondContact O-N 2.88Å; I232-F236 HydrophobicContact CB-CE2 4.32Å; I232-F236 HydrophobicContact CG1-CD2 4.33Å; I232-F236 HydrophobicContact CG1-CE2 3.54Å; I232-F236 HydrophobicContact CG1-CZ 3.87Å; I232-F236 HydrophobicContact CG2-CE2 4.08Å; I232-F236 WeakPolarHBondContact O-CD2 3.32Å; I232-F236 PolarHBondContact O-N 2.97Å; I232-M250 HydrophobicContact CG2-SD 3.74Å; I232-I253 HydrophobicContact CB-CD1 4.06Å; I232-I253 HydrophobicContact CG2-CD1 3.6Å; I232-Y298 PolarHBondContact N-OH 2.89Å
233	L	98.1	Very high	97.5	Very high	1 Å²	1	12.6 Å²	12.6	1%	0.005	6%	0.06	C	C	.	.	H	α-helix	trans	-66.5	-40.4	-174.8	-71.5	175.7	0	0	0	110.4	D231 E235 F236 M237 M250 N294 E297 Y298 A467	D231-L233 PolarHBondContact OD1-N 3.26Å; L233-E235 VanDerWaalsContact C-N 3.28Å; L233-E235 PolarHBondContact O-N 2.82Å; L233-F236 PolarHBondContact O-N 2.57Å; L233-M237 WeakPolarHBondContact O-CG 3.44Å; L233-M237 PolarHBondContact O-N 2.83Å; L233-M250 HydrophobicContact CD1-CE 4.44Å; L233-M250 HydrophobicContact CD1-SD 4.41Å; L233-M250 HydrophobicContact CD2-SD 3.98Å; L233-M250 HydrophobicContact CG-SD 3.98Å; L233-N294 WeakPolarHBondContact CB-OD1 3.31Å; L233-N294 HydrophobicContact CD1-CB 4.21Å; L233-E297 HydrophobicContact CD1-CB 3.93Å; L233-E297 HydrophobicContact CD1-CG 4.04Å; L233-Y298 WeakPolarHBondContact CB-OH 3.43Å; L233-Y298 HydrophobicContact CD1-CE1 4.18Å; L233-Y298 HydrophobicContact CD1-CE2 4.23Å; L233-Y298 HydrophobicContact CG-CE1 4.3Å; L233-Y298 WeakPolarHBondContact CG-OH 3.17Å; L233-Y298 PolarHBondContact N-OH 3.01Å; L233-A467 HydrophobicContact CD2-CB 4.22Å
234	K	98.2	Very high	97.5	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-69.8	-19.8	172.6	66	99.1	171.8	77.1	0	114.4	N200 D231 I232 M237 V238 R239 H276 L277	N200-K234 PolarHBondContact ND2-NZ 3.38Å; N200-K234 VanDerWaalsContact ND2-NZ 3.19Å; N200-K234 PolarHBondContact OD1-NZ 2.93Å; D231-K234 HydrophobicContact CB-CG 3.95Å; D231-K234 WeakPolarHBondContact O-CG 3.49Å; D231-K234 PolarHBondContact O-NZ 2.77Å; D231-K234 WeakPolarHBondContact OD1-CG 3.27Å; D231-K234 PolarHBondContact OD1-N 3.18Å; D231-K234 VanDerWaalsContact OD1-N 3.16Å; I232-K234 VanDerWaalsContact C-N 3.33Å; I232-K234 PolarHBondContact O-N 3.28Å; K234-M237 HydrophobicContact CB-CE 4.1Å; K234-M237 PolarHBondContact O-N 3.46Å; K234-V238 WeakPolarHBondContact O-CG2 3.44Å; K234-V238 PolarHBondContact O-N 2.75Å; K234-R239 HydrophobicContact CD-CB 4.28Å; K234-R239 PolarHBondContact O-N 2.88Å; K234-H276 HydrophobicContact CD-CB 4.25Å; K234-H276 VanDerWaalsContact CE-CE1 3.49Å; K234-H276 WeakPolarHBondContact CE-CE1 3.48Å; K234-H276 WeakPolarHBondContact CE-ND1 3.01Å; K234-L277 HydrophobicContact CB-CD2 4.35Å
235	E	98.1	Very high	97.4	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.051	C	C	.	.	I	π-helix	trans	-63.9	-46.4	171.7	-61.7	-59.9	151.5	0	0	111.2	N200 I232 L233 M237 R239 N240 T241 Y242	N200-E235 HydrophobicContact CB-CG 3.81Å; N200-E235 WeakPolarHBondContact CB-OE1 3.45Å; N200-E235 PolarHBondContact ND2-OE1 3.29Å; I232-E235 HydrophobicContact CD1-CB 4.33Å; I232-E235 HydrophobicContact CD1-CG 4.01Å; I232-E235 HydrophobicContact CG1-CB 4.43Å; I232-E235 HydrophobicContact CG1-CG 4.44Å; I232-E235 VanDerWaalsContact O-CB 3.26Å; I232-E235 WeakPolarHBondContact O-CB 3.47Å; I232-E235 PolarHBondContact O-N 2.88Å; L233-E235 VanDerWaalsContact C-N 3.28Å; L233-E235 PolarHBondContact O-N 2.82Å; E235-M237 VanDerWaalsContact C-N 3.25Å; E235-M237 PolarHBondContact O-N 3.27Å; E235-R239 PolarHBondContact O-N 3.14Å; E235-R239 VanDerWaalsContact OE1-CD 3.27Å; E235-R239 WeakPolarHBondContact OE1-CD 3.27Å; E235-R239 IonicContact OE1-NH1 3.62Å; E235-R239 VanDerWaalsContact OE2-CB 3.28Å; E235-R239 WeakPolarHBondContact OE2-CB 3.25Å; E235-R239 WeakPolarHBondContact OE2-CG 3.46Å; E235-N240 PolarHBondContact O-N 3.49Å; E235-T241 PolarHBondContact OE1-OG1 3.09Å; E235-T241 WeakPolarHBondContact OE2-CA 3.29Å; E235-T241 WeakPolarHBondContact OE2-CB 3.32Å; E235-T241 PolarHBondContact OE2-N 3.3Å; E235-T241 PolarHBondContact OE2-OG1 3.25Å; E235-Y242 HydrophobicContact CB-CD1 4.13Å; E235-Y242 WeakPolarHBondContact O-CD1 3.46Å
236	F	96.1	Very high	97.2	Very high	19 Å²	19	9.7 Å²	9.7	8%	0.083	5%	0.051	C	C	.	.	I	π-helix	trans	-69.7	-24	179	-59.8	-63.7	0	0	0	113	I232 L233 Y242 F244 P246 V470 H587	I232-F236 HydrophobicContact CB-CE2 4.32Å; I232-F236 HydrophobicContact CG1-CD2 4.33Å; I232-F236 HydrophobicContact CG1-CE2 3.54Å; I232-F236 HydrophobicContact CG1-CZ 3.87Å; I232-F236 HydrophobicContact CG2-CE2 4.08Å; I232-F236 WeakPolarHBondContact O-CD2 3.32Å; I232-F236 PolarHBondContact O-N 2.97Å; L233-F236 PolarHBondContact O-N 2.57Å; F236-Y242 AromaticContact CD1-CD1 3.51Å; F236-Y242 HydrophobicContact CD1-CD1 3.51Å; F236-Y242 HydrophobicContact CD1-CD2 4.42Å; F236-Y242 HydrophobicContact CD1-CE1 4.13Å; F236-Y242 AromaticContact CD1-CG 3.69Å; F236-Y242 HydrophobicContact CD1-CG 3.69Å; F236-Y242 VanDerWaalsContact CE1-CB 3.48Å; F236-Y242 AromaticContact CE1-CD1 3.94Å; F236-Y242 HydrophobicContact CE1-CD1 3.94Å; F236-Y242 HydrophobicContact CE1-CD2 4.18Å; F236-Y242 AromaticContact CE1-CG 3.59Å; F236-Y242 HydrophobicContact CE1-CG 3.59Å; F236-Y242 HydrophobicContact CG-CD1 4.29Å; F236-F244 WeakPolarHBondContact CZ-O 3.45Å; F236-P246 HydrophobicContact CD2-CG 4.29Å; F236-P246 HydrophobicContact CE1-CG 4.27Å; F236-P246 HydrophobicContact CE2-CB 4.08Å; F236-P246 HydrophobicContact CE2-CG 3.98Å; F236-P246 HydrophobicContact CZ-CB 4.36Å; F236-P246 HydrophobicContact CZ-CG 3.98Å; F236-V470 HydrophobicContact CB-CG1 3.52Å; F236-V470 HydrophobicContact CD2-CG1 4.47Å; F236-V470 HydrophobicContact CG-CG1 4.36Å; F236-H587 AromaticContact CD1-CD2 3.62Å; F236-H587 AromaticContact CD1-NE2 3.83Å; F236-H587 HydrophobicContact CE1-CB 4.16Å; F236-H587 AromaticContact CE1-CD2 3.66Å; F236-H587 AromaticContact CE1-CG 3.78Å
237	M	96.4	Very high	97.2	Very high	2 Å²	2	15 Å²	15	1%	0.01	8%	0.076	C	C	.	.	I	π-helix	trans	-79.9	-49	177.5	-67.6	-170.7	-88.4	0	0	112.6	L233 K234 E235 L277 N294 M466 V470 P475 K476	L233-M237 WeakPolarHBondContact O-CG 3.44Å; L233-M237 PolarHBondContact O-N 2.83Å; K234-M237 HydrophobicContact CB-CE 4.1Å; K234-M237 PolarHBondContact O-N 3.46Å; E235-M237 VanDerWaalsContact C-N 3.25Å; E235-M237 PolarHBondContact O-N 3.27Å; M237-L277 HydrophobicContact CB-CD2 4.19Å; M237-L277 HydrophobicContact CE-CD2 4Å; M237-L277 HydrophobicContact SD-CD2 4.11Å; M237-N294 VanDerWaalsContact CE-ND2 3.31Å; M237-N294 WeakPolarHBondContact CE-ND2 3.46Å; M237-N294 WeakPolarHBondContact CE-OD1 3.33Å; M237-M466 HydrophobicContact CE-CE 3.65Å; M237-M466 HydrophobicContact SD-CE 3.27Å; M237-M466 WeakPolarHBondContact SD-CE 3.39Å; M237-V470 HydrophobicContact CE-CG2 4.27Å; M237-V470 HydrophobicContact CG-CG1 4.32Å; M237-V470 HydrophobicContact CG-CG2 3.66Å; M237-V470 HydrophobicContact SD-CG2 3.86Å; M237-P475 HydrophobicContact CG-CB 4.22Å; M237-P475 HydrophobicContact SD-CB 3.6Å; M237-P475 VanDerWaalsContact SD-CB 3.6Å; M237-P475 HydrophobicContact SD-CG 4.29Å; M237-K476 VanDerWaalsContact O-CD 3.3Å; M237-K476 WeakPolarHBondContact O-CD 3.38Å; M237-K476 VanDerWaalsContact O-CG 3.29Å; M237-K476 WeakPolarHBondContact O-CG 3.37Å
238	V	96.8	Very high	97.1	Very high	11 Å²	11	14.7 Å²	14.7	7%	0.067	8%	0.075	C	C	.	.	I	π-helix	trans	-146.7	-30.4	-163.7	-62.2	0	0	0	0	116.1	K234 H276 L277 A280 I479	K234-V238 WeakPolarHBondContact O-CG2 3.44Å; K234-V238 PolarHBondContact O-N 2.75Å; V238-H276 HydrophobicContact CG2-CB 3.79Å; V238-H276 WeakPolarHBondContact CG2-O 3.39Å; V238-L277 HydrophobicContact CG1-CD2 3.95Å; V238-L277 HydrophobicContact CG2-CD2 3.71Å; V238-A280 HydrophobicContact CB-CB 3.65Å; V238-A280 HydrophobicContact CG1-CB 3.5Å; V238-I479 HydrophobicContact CG1-CD1 3.7Å; V238-I479 HydrophobicContact CG1-CG2 4.14Å
239	R	97.3	Very high	97.1	Very high	47 Å²	47	15 Å²	15	18%	0.177	8%	0.077	C	C	.	.	I	π-helix	trans	-93.7	-20.5	-168.4	-171.6	174.9	-169.6	-77	-4	113.7	H154 K234 E235 T241 H276	H154-R239 PolarHBondContact CE1-NH1 3.17Å; H154-R239 PolarHBondContact CE1-NH2 3.26Å; H154-R239 PolarHBondContact NE2-NH2 3.39Å; K234-R239 HydrophobicContact CD-CB 4.28Å; K234-R239 PolarHBondContact O-N 2.88Å; E235-R239 PolarHBondContact O-N 3.14Å; E235-R239 VanDerWaalsContact OE1-CD 3.27Å; E235-R239 WeakPolarHBondContact OE1-CD 3.27Å; E235-R239 IonicContact OE1-NH1 3.62Å; E235-R239 VanDerWaalsContact OE2-CB 3.28Å; E235-R239 WeakPolarHBondContact OE2-CB 3.25Å; E235-R239 WeakPolarHBondContact OE2-CG 3.46Å; R239-T241 VanDerWaalsContact C-N 3.27Å; R239-T241 PolarHBondContact NH1-OG1 2.89Å; R239-T241 PolarHBondContact O-N 3.39Å; R239-T241 VanDerWaalsContact O-N 3.16Å; R239-H276 HydrophobicContact CB-CB 4.4Å; R239-H276 WeakPolarHBondContact CD-CD2 3.36Å; R239-H276 PolarHBondContact NE-CD2 2.88Å; R239-H276 PolarHBondContact NE-NE2 3.49Å
240	N	97.5	Very high	96.9	Very high	3 Å²	3	15.8 Å²	15.8	2%	0.016	8%	0.08	C	C	.	.			trans	58.1	29	167.8	-61.4	-38.1	0	0	0	115.2	E235 Y242 G637 D639 L661 F662	E235-N240 PolarHBondContact O-N 3.49Å; N240-Y242 HydrophobicContact CB-CE1 4.38Å; N240-G637 PolarHBondContact ND2-O 3.32Å; N240-D639 PolarHBondContact ND2-OD2 3.41Å; N240-L661 HydrophobicContact CB-CD1 3.8Å; N240-L661 VanDerWaalsContact CG-CD1 3.45Å; N240-F662 HydrophobicContact CB-CZ 4.32Å; N240-F662 WeakPolarHBondContact O-CZ 3.46Å
241	T	98	Very high	96.7	Very high	4 Å²	4	17.5 Å²	17.5	3%	0.025	9%	0.089	C	C	.	.			trans	-108.2	26.2	171.5	65.3	0	0	0	0	112.7	L151 H154 G201 E235 R239	L151-T241 HydrophobicContact CD2-CG2 4.42Å; H154-T241 HydrophobicContact CB-CG2 4.14Å; G201-T241 VanDerWaalsContact CA-O 3.24Å; G201-T241 WeakPolarHBondContact CA-O 3.29Å; E235-T241 PolarHBondContact OE1-OG1 3.09Å; E235-T241 WeakPolarHBondContact OE2-CA 3.29Å; E235-T241 WeakPolarHBondContact OE2-CB 3.32Å; E235-T241 PolarHBondContact OE2-N 3.3Å; E235-T241 PolarHBondContact OE2-OG1 3.25Å; R239-T241 VanDerWaalsContact C-N 3.27Å; R239-T241 PolarHBondContact NH1-OG1 2.89Å; R239-T241 PolarHBondContact O-N 3.39Å; R239-T241 VanDerWaalsContact O-N 3.16Å
242	Y	98	Very high	96.7	Very high	4 Å²	4	17.8 Å²	17.8	2%	0.016	9%	0.091	C	C	.	.			trans	-69.5	157.8	170.9	52.1	-105.5	0	0	0	111.7	E235 F236 N240 H587 A589 F662	E235-Y242 HydrophobicContact CB-CD1 4.13Å; E235-Y242 WeakPolarHBondContact O-CD1 3.46Å; F236-Y242 AromaticContact CD1-CD1 3.51Å; F236-Y242 HydrophobicContact CD1-CD1 3.51Å; F236-Y242 HydrophobicContact CD1-CD2 4.42Å; F236-Y242 HydrophobicContact CD1-CE1 4.13Å; F236-Y242 AromaticContact CD1-CG 3.69Å; F236-Y242 HydrophobicContact CD1-CG 3.69Å; F236-Y242 VanDerWaalsContact CE1-CB 3.48Å; F236-Y242 AromaticContact CE1-CD1 3.94Å; F236-Y242 HydrophobicContact CE1-CD1 3.94Å; F236-Y242 HydrophobicContact CE1-CD2 4.18Å; F236-Y242 AromaticContact CE1-CG 3.59Å; F236-Y242 HydrophobicContact CE1-CG 3.59Å; F236-Y242 HydrophobicContact CG-CD1 4.29Å; N240-Y242 HydrophobicContact CB-CE1 4.38Å; Y242-H587 HydrophobicContact CD2-CB 3.86Å; Y242-H587 AromaticContact CD2-CD2 3.77Å; Y242-H587 HydrophobicContact CE2-CB 4.15Å; Y242-H587 AromaticContact CE2-CD2 3.54Å; Y242-H587 AromaticContact CZ-CD2 3.82Å; Y242-A589 WeakPolarHBondContact OH-CB 3.11Å; Y242-F662 HydrophobicContact CE2-CE2 4.19Å
243	I	98.5	Very high	96.6	Very high	4 Å²	4	17.6 Å²	17.6	2%	0.021	9%	0.09	C	C	.	.			trans	-119.8	-65.3	174.2	-56.5	176.8	0	0	0	108.7	R155 A202 T577 K581 E586 H587	R155-I243 VanDerWaalsContact O-CD1 3.27Å; R155-I243 WeakPolarHBondContact O-CD1 3.34Å; R155-I243 WeakPolarHBondContact O-CG1 3.25Å; A202-I243 HydrophobicContact CB-CD1 4.16Å; I243-T577 HydrophobicContact CD1-CG2 3.74Å; I243-T577 HydrophobicContact CG2-CG2 3.95Å; I243-K581 HydrophobicContact CG2-CD 4.35Å; I243-K581 HydrophobicContact CG2-CG 4.22Å; I243-E586 WeakPolarHBondContact O-CA 3.4Å; I243-H587 PolarHBondContact O-N 2.79Å
244	F	98.1	Very high	96.5	Very high	8 Å²	8	18 Å²	18	4%	0.035	9%	0.093	C	C	.	.	S	Bend	trans	-86.5	162	-176.1	-43.9	-68.1	0	0	0	111.9	F236 P248 S249 T577 M580 K581 F584 G585	F236-F244 WeakPolarHBondContact CZ-O 3.45Å; F244-P248 HydrophobicContact CB-CB 4.37Å; F244-P248 HydrophobicContact CB-CG 3.95Å; F244-S249 PolarHBondContact O-OG 3.17Å; F244-T577 HydrophobicContact CZ-CG2 4.03Å; F244-M580 HydrophobicContact CE1-CB 3.83Å; F244-M580 HydrophobicContact CE2-CB 4.49Å; F244-M580 HydrophobicContact CE2-CE 4.21Å; F244-M580 HydrophobicContact CE2-SD 4.4Å; F244-M580 HydrophobicContact CZ-CB 3.63Å; F244-M580 HydrophobicContact CZ-CE 3.93Å; F244-M580 HydrophobicContact CZ-SD 4.28Å; F244-K581 HydrophobicContact CD1-CG 4.23Å; F244-K581 HydrophobicContact CE1-CB 4.3Å; F244-K581 HydrophobicContact CE1-CG 3.53Å; F244-K581 HydrophobicContact CZ-CG 4.42Å; F244-F584 HydrophobicContact CB-CB 4.28Å; F244-F584 HydrophobicContact CD1-CB 3.71Å; F244-F584 AromaticContact CD1-CD2 3.91Å; F244-F584 HydrophobicContact CD1-CD2 3.91Å; F244-F584 HydrophobicContact CD1-CG 4.34Å; F244-F584 HydrophobicContact CD2-CD2 4.43Å; F244-F584 HydrophobicContact CE1-CB 4.41Å; F244-F584 HydrophobicContact CE1-CD2 4.12Å; F244-F584 HydrophobicContact CG-CB 4.21Å; F244-F584 HydrophobicContact CG-CD2 4.07Å; F244-G585 WeakPolarHBondContact CD1-O 3.36Å
245	P	95.8	Very high	96.5	Very high	36 Å²	36	18.9 Å²	18.9	23%	0.234	10%	0.098	C	C	.	.			trans	-57.1	166.3	168.7	-25	35.2	0	0	0	113.4	E247 P248 S249 F584	P245-E247 PolarHBondContact O-N 3.22Å; P245-P248 HydrophobicContact CB-CG 4.14Å; P245-P248 HydrophobicContact CG-CG 4.41Å; P245-P248 VanDerWaalsContact O-CD 3.29Å; P245-P248 WeakPolarHBondContact O-CD 3.49Å; P245-P248 WeakPolarHBondContact O-CG 3.32Å; P245-S249 WeakPolarHBondContact O-CB 3.34Å; P245-S249 PolarHBondContact O-N 3.14Å; P245-S249 PolarHBondContact O-OG 2.95Å; P245-F584 WeakPolarHBondContact CD-O 3.36Å
246	P	92.4	Very high	96.5	Very high	34 Å²	34	18.9 Å²	18.9	22%	0.221	10%	0.098	C	C	.	.	H	α-helix	trans	-56.5	-47.2	-175.3	-29.5	36.1	0	0	0	114.9	F236 S249 M250	F236-P246 HydrophobicContact CD2-CG 4.29Å; F236-P246 HydrophobicContact CE1-CG 4.27Å; F236-P246 HydrophobicContact CE2-CB 4.08Å; F236-P246 HydrophobicContact CE2-CG 3.98Å; F236-P246 HydrophobicContact CZ-CB 4.36Å; F236-P246 HydrophobicContact CZ-CG 3.98Å; P246-S249 PolarHBondContact O-N 3.23Å; P246-M250 VanDerWaalsContact O-CG 3.28Å; P246-M250 WeakPolarHBondContact O-CG 3.25Å; P246-M250 PolarHBondContact O-N 2.8Å
247	E	92.6	Very high	96.5	Very high	113 Å²	113	18 Å²	18	53%	0.528	9%	0.094	S	C	.	.	H	α-helix	trans	-58.8	-55.9	-177.7	-169.2	-74.2	153.1	0	0	113.4	P245 S249 M250 H251 R555	P245-E247 PolarHBondContact O-N 3.22Å; E247-S249 PolarHBondContact O-N 3.03Å; E247-M250 PolarHBondContact O-N 2.65Å; E247-H251 PolarHBondContact O-N 3.11Å; E247-H251 VanDerWaalsContact O-N 3.07Å; E247-R555 IonicContact OE2-NH2 2.68Å; E247-R555 PolarHBondContact OE2-NH2 2.95Å; E247-R555 VanDerWaalsContact OE2-NH2 3.11Å
248	P	95.9	Very high	96.4	Very high	9 Å²	9	19.4 Å²	19.4	6%	0.058	11%	0.106	C	C	.	.	H	α-helix	trans	-64.9	-30.2	179.2	22.3	-32.8	0	0	0	112.4	F244 P245 H251 A252 F584	F244-P248 HydrophobicContact CB-CB 4.37Å; F244-P248 HydrophobicContact CB-CG 3.95Å; P245-P248 HydrophobicContact CB-CG 4.14Å; P245-P248 HydrophobicContact CG-CG 4.41Å; P245-P248 VanDerWaalsContact O-CD 3.29Å; P245-P248 WeakPolarHBondContact O-CD 3.49Å; P245-P248 WeakPolarHBondContact O-CG 3.32Å; P248-H251 PolarHBondContact O-N 3.29Å; P248-A252 PolarHBondContact O-N 3.11Å; P248-F584 HydrophobicContact CB-CB 3.9Å; P248-F584 HydrophobicContact CB-CD1 3.65Å; P248-F584 HydrophobicContact CB-CD2 3.76Å; P248-F584 HydrophobicContact CB-CE1 4.09Å; P248-F584 HydrophobicContact CB-CE2 4.19Å; P248-F584 HydrophobicContact CB-CG 3.48Å; P248-F584 VanDerWaalsContact CB-CG 3.48Å; P248-F584 HydrophobicContact CB-CZ 4.34Å; P248-F584 HydrophobicContact CG-CB 4Å; P248-F584 HydrophobicContact CG-CD1 4.47Å; P248-F584 HydrophobicContact CG-CG 4.15Å
249	S	97.1	Very high	96.4	Very high	7 Å²	7	20 Å²	20	5%	0.049	11%	0.107	C	C	.	.	H	α-helix	trans	-66.8	-41.9	175.4	-56.5	0	0	0	0	112.5	F244 P245 P246 E247 H251 A252 I253	F244-S249 PolarHBondContact O-OG 3.17Å; P245-S249 WeakPolarHBondContact O-CB 3.34Å; P245-S249 PolarHBondContact O-N 3.14Å; P245-S249 PolarHBondContact O-OG 2.95Å; P246-S249 PolarHBondContact O-N 3.23Å; E247-S249 PolarHBondContact O-N 3.03Å; S249-H251 VanDerWaalsContact C-N 3.28Å; S249-H251 PolarHBondContact O-N 3.22Å; S249-A252 PolarHBondContact O-N 3.05Å; S249-I253 WeakPolarHBondContact O-CG1 3.31Å; S249-I253 PolarHBondContact O-N 3.33Å
250	M	95.4	Very high	96.4	Very high	20 Å²	20	18 Å²	18	10%	0.099	10%	0.1	C	C	.	.	H	α-helix	trans	-66.6	-32.8	175.4	-66.5	-60.2	-65.2	0	0	111.7	I232 L233 P246 E247 I253 A254 E297 Y298 T301	I232-M250 HydrophobicContact CG2-SD 3.74Å; L233-M250 HydrophobicContact CD1-CE 4.44Å; L233-M250 HydrophobicContact CD1-SD 4.41Å; L233-M250 HydrophobicContact CD2-SD 3.98Å; L233-M250 HydrophobicContact CG-SD 3.98Å; P246-M250 VanDerWaalsContact O-CG 3.28Å; P246-M250 WeakPolarHBondContact O-CG 3.25Å; P246-M250 PolarHBondContact O-N 2.8Å; E247-M250 PolarHBondContact O-N 2.65Å; M250-I253 PolarHBondContact O-N 2.97Å; M250-I253 HydrophobicContact SD-CD1 4.16Å; M250-A254 PolarHBondContact O-N 3.34Å; M250-E297 HydrophobicContact CE-CG 4.26Å; M250-Y298 HydrophobicContact CE-CD1 3.71Å; M250-Y298 HydrophobicContact CE-CE1 3.6Å; M250-Y298 HydrophobicContact SD-CD1 4.47Å; M250-Y298 HydrophobicContact SD-CE1 3.78Å; M250-T301 HydrophobicContact CE-CG2 4.3Å; M250-T301 WeakPolarHBondContact CE-OG1 3.36Å; M250-T301 WeakPolarHBondContact O-CG2 3.28Å
251	H	94.6	Very high	96.1	Very high	39 Å²	39	19.7 Å²	19.7	18%	0.181	11%	0.112	C	C	.	.	H	α-helix	trans	-65.3	-42.5	171.9	176.8	75.6	0	0	0	112.4	E247 P248 S249 I253 A254 D255 R555	E247-H251 PolarHBondContact O-N 3.11Å; E247-H251 VanDerWaalsContact O-N 3.07Å; P248-H251 PolarHBondContact O-N 3.29Å; S249-H251 VanDerWaalsContact C-N 3.28Å; S249-H251 PolarHBondContact O-N 3.22Å; H251-I253 PolarHBondContact O-N 3.35Å; H251-A254 WeakPolarHBondContact O-CB 3.47Å; H251-A254 PolarHBondContact O-N 3.31Å; H251-A254 VanDerWaalsContact O-N 3.1Å; H251-D255 IonicContact NE2-OD2 3.88Å; H251-D255 PolarHBondContact O-N 2.78Å; H251-R555 PolarHBondContact CD2-NH1 3.39Å
252	A	97.1	Very high	95.9	Very high	6 Å²	6	27.2 Å²	27.2	5%	0.05	15%	0.145	C	C	.	.	H	α-helix	trans	-58.7	-36.8	174.1	0	0	0	0	0	112.2	I204 P248 S249 D255 I256 L559	I204-A252 HydrophobicContact CD1-CB 4.3Å; I204-A252 HydrophobicContact CG1-CB 4.24Å; P248-A252 PolarHBondContact O-N 3.11Å; S249-A252 PolarHBondContact O-N 3.05Å; A252-D255 PolarHBondContact O-N 3.03Å; A252-I256 WeakPolarHBondContact O-CD1 3.38Å; A252-I256 VanDerWaalsContact O-CG1 3.28Å; A252-I256 WeakPolarHBondContact O-CG1 3.33Å; A252-I256 PolarHBondContact O-N 3.09Å; A252-L559 HydrophobicContact CB-CD1 4.43Å
253	I	97.6	Very high	95.8	Very high	2 Å²	2	30 Å²	30	1%	0.01	16%	0.158	C	C	.	.	H	α-helix	trans	-64.6	-44.2	174.1	-66.1	173.5	0	0	0	111.5	N230 I232 S249 M250 H251 D255 I256 F257 Y298	N230-I253 WeakPolarHBondContact O-CD1 3.23Å; N230-I253 WeakPolarHBondContact OD1-CG1 3.36Å; I232-I253 HydrophobicContact CB-CD1 4.06Å; I232-I253 HydrophobicContact CG2-CD1 3.6Å; S249-I253 WeakPolarHBondContact O-CG1 3.31Å; S249-I253 PolarHBondContact O-N 3.33Å; M250-I253 PolarHBondContact O-N 2.97Å; M250-I253 HydrophobicContact SD-CD1 4.16Å; H251-I253 PolarHBondContact O-N 3.35Å; I253-D255 VanDerWaalsContact C-N 3.3Å; I253-D255 PolarHBondContact O-N 2.96Å; I253-I256 PolarHBondContact O-N 3.47Å; I253-F257 HydrophobicContact CG2-CD1 4.26Å; I253-F257 HydrophobicContact CG2-CD2 4.35Å; I253-F257 HydrophobicContact CG2-CE1 3.74Å; I253-F257 HydrophobicContact CG2-CE2 3.83Å; I253-F257 HydrophobicContact CG2-CZ 3.49Å; I253-F257 VanDerWaalsContact CG2-CZ 3.49Å; I253-F257 WeakPolarHBondContact O-CD1 3.4Å; I253-F257 WeakPolarHBondContact O-CG 3.35Å; I253-F257 PolarHBondContact O-N 2.98Å; I253-Y298 HydrophobicContact CD1-CD1 4.3Å; I253-Y298 HydrophobicContact CD1-CE1 3.53Å; I253-Y298 HydrophobicContact CG2-CD1 4.19Å; I253-Y298 HydrophobicContact CG2-CE1 4.43Å
254	A	95.7	Very high	95.8	Very high	10 Å²	10	29.9 Å²	29.9	8%	0.083	16%	0.157	C	C	.	.	H	α-helix	trans	-56.4	-44.9	175.1	0	0	0	0	0	111.7	M250 H251 I256 F257 A258 T301 A305	M250-A254 PolarHBondContact O-N 3.34Å; H251-A254 WeakPolarHBondContact O-CB 3.47Å; H251-A254 PolarHBondContact O-N 3.31Å; H251-A254 VanDerWaalsContact O-N 3.1Å; A254-I256 PolarHBondContact O-N 2.61Å; A254-F257 PolarHBondContact O-N 3.13Å; A254-A258 PolarHBondContact O-N 3.46Å; A254-T301 HydrophobicContact CB-CG2 3.86Å; A254-A305 HydrophobicContact CB-CB 3.85Å
255	D	97.1	Very high	95.5	Very high	18 Å²	18	32.3 Å²	32.3	10%	0.096	17%	0.174	C	C	.	.	H	α-helix	trans	-63.6	-39.3	177.3	-89.8	6.4	0	0	0	112.8	H251 A252 I253 A258 Y259 N558 L559	H251-D255 IonicContact NE2-OD2 3.88Å; H251-D255 PolarHBondContact O-N 2.78Å; A252-D255 PolarHBondContact O-N 3.03Å; I253-D255 VanDerWaalsContact C-N 3.3Å; I253-D255 PolarHBondContact O-N 2.96Å; D255-A258 PolarHBondContact O-N 3.02Å; D255-Y259 WeakPolarHBondContact O-CB 3.48Å; D255-Y259 PolarHBondContact O-N 3.44Å; D255-N558 VanDerWaalsContact CA-ND2 3.35Å; D255-N558 WeakPolarHBondContact CA-ND2 3.26Å; D255-N558 WeakPolarHBondContact CB-ND2 3.5Å; D255-N558 PolarHBondContact O-ND2 3.45Å; D255-N558 WeakPolarHBondContact OD2-CA 3.33Å; D255-L559 HydrophobicContact CB-CB 4.44Å; D255-L559 WeakPolarHBondContact OD2-CB 3.38Å; D255-L559 WeakPolarHBondContact OD2-CG 3.36Å; D255-L559 PolarHBondContact OD2-N 3.17Å
256	I	98.1	Very high	95.4	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-63.7	-42.3	174.4	-68.1	162.1	0	0	0	110.5	V203 I204 L207 N230 A252 I253 A254 Y259 T260 L560	V203-I256 HydrophobicContact CB-CD1 4.36Å; V203-I256 HydrophobicContact CG1-CD1 3.67Å; V203-I256 HydrophobicContact CG2-CD1 3.78Å; I204-I256 HydrophobicContact CD1-CD1 3.87Å; I204-I256 HydrophobicContact CD1-CG1 3.83Å; L207-I256 HydrophobicContact CD2-CG2 3.98Å; N230-I256 WeakPolarHBondContact OD1-CD1 3.31Å; A252-I256 WeakPolarHBondContact O-CD1 3.38Å; A252-I256 VanDerWaalsContact O-CG1 3.28Å; A252-I256 WeakPolarHBondContact O-CG1 3.33Å; A252-I256 PolarHBondContact O-N 3.09Å; I253-I256 PolarHBondContact O-N 3.47Å; A254-I256 PolarHBondContact O-N 2.61Å; I256-Y259 PolarHBondContact O-N 2.66Å; I256-T260 HydrophobicContact CG2-CG2 4.1Å; I256-T260 WeakPolarHBondContact O-CB 3.41Å; I256-T260 VanDerWaalsContact O-CG2 3.31Å; I256-T260 WeakPolarHBondContact O-CG2 3.42Å; I256-T260 PolarHBondContact O-N 3.49Å; I256-T260 PolarHBondContact O-OG1 2.97Å; I256-L560 HydrophobicContact CG1-CB 4.45Å; I256-L560 HydrophobicContact CG1-CD2 4.21Å
257	F	96.3	Very high	95.6	Very high	1 Å²	1	34.6 Å²	34.6	0%	0.004	18%	0.177	C	C	.	.	H	α-helix	trans	-62.6	-45.9	177.2	-69.3	-4.1	0	0	0	111.7	I253 A254 Y259 T260 S261 S269 I270 L307 L316	I253-F257 HydrophobicContact CG2-CD1 4.26Å; I253-F257 HydrophobicContact CG2-CD2 4.35Å; I253-F257 HydrophobicContact CG2-CE1 3.74Å; I253-F257 HydrophobicContact CG2-CE2 3.83Å; I253-F257 HydrophobicContact CG2-CZ 3.49Å; I253-F257 VanDerWaalsContact CG2-CZ 3.49Å; I253-F257 WeakPolarHBondContact O-CD1 3.4Å; I253-F257 WeakPolarHBondContact O-CG 3.35Å; I253-F257 PolarHBondContact O-N 2.98Å; A254-F257 PolarHBondContact O-N 3.13Å; F257-Y259 PolarHBondContact O-N 2.84Å; F257-T260 PolarHBondContact O-OG1 3.45Å; F257-S261 VanDerWaalsContact O-CB 3.27Å; F257-S261 WeakPolarHBondContact O-CB 3.43Å; F257-S261 PolarHBondContact O-N 3.13Å; F257-S261 PolarHBondContact O-OG 3.11Å; F257-S269 WeakPolarHBondContact CD1-OG 3.06Å; F257-S269 WeakPolarHBondContact CE1-OG 3.46Å; F257-I270 HydrophobicContact CE1-CB 3.9Å; F257-I270 HydrophobicContact CE1-CD1 4.49Å; F257-I270 HydrophobicContact CE1-CG2 3.88Å; F257-I270 HydrophobicContact CZ-CB 4.1Å; F257-I270 HydrophobicContact CZ-CD1 4.03Å; F257-I270 HydrophobicContact CZ-CG2 3.81Å; F257-L307 HydrophobicContact CB-CD1 3.76Å; F257-L316 HydrophobicContact CZ-CD2 4.38Å
258	A	94.6	Very high	95.7	Very high	32 Å²	32	30.8 Å²	30.8	26%	0.264	16%	0.16	S	C	.	.	H	α-helix	trans	-62	-43.8	178.1	0	0	0	0	0	112	A254 D255 S261	A254-A258 PolarHBondContact O-N 3.46Å; D255-A258 PolarHBondContact O-N 3.02Å; A258-S261 PolarHBondContact O-OG 2.9Å
259	Y	96.9	Very high	95.7	Very high	22 Å²	22	30.4 Å²	30.4	9%	0.086	16%	0.158	C	C	.	.	H	α-helix	trans	-68.6	-48.3	179.7	-172.3	-83.6	0	0	0	112.4	I211 D255 I256 F257 K262 H263 M264 L560	I211-Y259 HydrophobicContact CD1-CE1 3.92Å; D255-Y259 WeakPolarHBondContact O-CB 3.48Å; D255-Y259 PolarHBondContact O-N 3.44Å; I256-Y259 PolarHBondContact O-N 2.66Å; F257-Y259 PolarHBondContact O-N 2.84Å; Y259-K262 PolarHBondContact O-N 2.86Å; Y259-H263 HydrophobicContact CD1-CB 4.33Å; Y259-H263 AromaticContact CD2-CD2 3.9Å; Y259-H263 HydrophobicContact CE1-CB 4Å; Y259-H263 AromaticContact CE2-CD2 3.82Å; Y259-H263 AromaticContact CZ-CD2 3.96Å; Y259-H263 WeakPolarHBondContact O-CB 3.34Å; Y259-H263 PolarHBondContact O-CD2 2.92Å; Y259-H263 PolarHBondContact O-N 3.44Å; Y259-M264 HydrophobicContact CE1-SD 4.39Å; Y259-L560 HydrophobicContact CD1-CD2 3.56Å; Y259-L560 HydrophobicContact CD1-CG 4.12Å; Y259-L560 HydrophobicContact CE1-CD2 4.27Å; Y259-L560 HydrophobicContact CG-CB 4.37Å; Y259-L560 HydrophobicContact CG-CD2 3.79Å; Y259-L560 HydrophobicContact CG-CG 4.12Å
260	T	96.3	Very high	95.7	Very high	5 Å²	5	30.1 Å²	30.1	3%	0.031	16%	0.155	C	C	.	.	H	α-helix	trans	-70.9	-36.3	-174.7	53.4	0	0	0	0	112.8	I256 F257 K262 M264 F267 S269	I256-T260 HydrophobicContact CG2-CG2 4.1Å; I256-T260 WeakPolarHBondContact O-CB 3.41Å; I256-T260 VanDerWaalsContact O-CG2 3.31Å; I256-T260 WeakPolarHBondContact O-CG2 3.42Å; I256-T260 PolarHBondContact O-N 3.49Å; I256-T260 PolarHBondContact O-OG1 2.97Å; F257-T260 PolarHBondContact O-OG1 3.45Å; T260-K262 PolarHBondContact O-N 3.42Å; T260-M264 HydrophobicContact CG2-CB 4.5Å; T260-M264 HydrophobicContact CG2-SD 4.15Å; T260-M264 CarbonylContact O-C 3.49Å; T260-M264 VanDerWaalsContact O-CA 3.29Å; T260-M264 WeakPolarHBondContact O-CA 3.28Å; T260-M264 PolarHBondContact O-N 3.36Å; T260-F267 HydrophobicContact CG2-CD1 4.49Å; T260-S269 WeakPolarHBondContact OG1-CB 3.4Å
261	S	92.1	Very high	95.8	Very high	39 Å²	39	29.7 Å²	29.7	27%	0.273	15%	0.154	S	C	.	.	H	α-helix	trans	-60.3	-35.8	173.9	56.7	0	0	0	0	112.3	F257 A258	F257-S261 VanDerWaalsContact O-CB 3.27Å; F257-S261 WeakPolarHBondContact O-CB 3.43Å; F257-S261 PolarHBondContact O-N 3.13Å; F257-S261 PolarHBondContact O-OG 3.11Å; A258-S261 PolarHBondContact O-OG 2.9Å
262	K	93.5	Very high	96	Very high	162 Å²	162	27.8 Å²	27.8	70%	0.704	15%	0.146	S	C	*	.	H	α-helix	trans	-81.2	-43.4	178.6	-174.5	176	176.5	-175.8	0	113.9	Y259 T260	Y259-K262 PolarHBondContact O-N 2.86Å; T260-K262 PolarHBondContact O-N 3.42Å
263	H	96.9	Very high	96.1	Very high	64 Å²	64	27.5 Å²	27.5	30%	0.296	14%	0.143	S	C	.	.	H	α-helix	trans	-109.7	-18.9	-167.5	-64.1	-67	0	0	0	114.6	K221 E222 Y259	K221-H263 CarbonylContact C-O 3.37Å; K221-H263 WeakPolarHBondContact CB-O 3.46Å; K221-H263 HydrophobicContact CD-CB 4.5Å; E222-H263 WeakPolarHBondContact CA-O 3.48Å; E222-H263 PolarHBondContact N-O 3.12Å; Y259-H263 HydrophobicContact CD1-CB 4.33Å; Y259-H263 AromaticContact CD2-CD2 3.9Å; Y259-H263 HydrophobicContact CE1-CB 4Å; Y259-H263 AromaticContact CE2-CD2 3.82Å; Y259-H263 AromaticContact CZ-CD2 3.96Å; Y259-H263 WeakPolarHBondContact O-CB 3.34Å; Y259-H263 PolarHBondContact O-CD2 2.92Å; Y259-H263 PolarHBondContact O-N 3.44Å
264	M	97.4	Very high	96.2	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.005	14%	0.143	C	C	.	.			trans	-136.9	58	-172.5	-59.9	172.3	69.4	0	0	111.6	I211 K221 L224 Y259 T260 K266 F267	I211-M264 HydrophobicContact CD1-SD 3.73Å; I211-M264 HydrophobicContact CG1-CE 4.11Å; I211-M264 HydrophobicContact CG1-SD 3.82Å; K221-M264 HydrophobicContact CB-CG 4.22Å; L224-M264 HydrophobicContact CB-CE 4.1Å; L224-M264 HydrophobicContact CD1-CE 4.09Å; Y259-M264 HydrophobicContact CE1-SD 4.39Å; T260-M264 HydrophobicContact CG2-CB 4.5Å; T260-M264 HydrophobicContact CG2-SD 4.15Å; T260-M264 CarbonylContact O-C 3.49Å; T260-M264 VanDerWaalsContact O-CA 3.29Å; T260-M264 WeakPolarHBondContact O-CA 3.28Å; T260-M264 PolarHBondContact O-N 3.36Å; M264-K266 PolarHBondContact O-N 2.86Å; M264-F267 HydrophobicContact CB-CB 3.86Å; M264-F267 HydrophobicContact CE-CB 3.94Å; M264-F267 HydrophobicContact CE-CD1 4.11Å; M264-F267 HydrophobicContact CE-CD2 3.74Å; M264-F267 HydrophobicContact CE-CE2 4.25Å; M264-F267 HydrophobicContact CE-CG 3.67Å; M264-F267 WeakPolarHBondContact O-CB 3.24Å; M264-F267 PolarHBondContact O-N 3.03Å
265	P	93.1	Very high	96.3	Very high	59 Å²	59	28 Å²	28	38%	0.383	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-0.9	-169.8	29.6	-38.9	0	0	0	115.1	E222 R315	E222-P265 HydrophobicContact CB-CG 4.39Å; P265-R315 PolarHBondContact O-NE 3.32Å; P265-R315 PolarHBondContact O-NH2 3.33Å
266	K	93.3	Very high	96.4	Very high	116 Å²	116	28.2 Å²	28.2	50%	0.504	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.9	-4.7	174.4	-63.8	-177.8	-178.8	175.1	0	113.4	T225 M264	T225-K266 HydrophobicContact CG2-CB 3.93Å; T225-K266 HydrophobicContact CG2-CD 4.02Å; M264-K266 PolarHBondContact O-N 2.86Å
267	F	96.1	Very high	96.4	Very high	1 Å²	1	28.2 Å²	28.2	0%	0.004	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	135.4	-177.7	-164	-96	0	0	0	110.3	M197 L207 F210 I228 T260 M264 S269 R315	M197-F267 HydrophobicContact CE-CE2 4.33Å; M197-F267 HydrophobicContact CE-CZ 3.85Å; L207-F267 HydrophobicContact CD1-CE1 3.93Å; L207-F267 HydrophobicContact CD1-CZ 3.91Å; F210-F267 HydrophobicContact CD1-CE2 4.43Å; F210-F267 HydrophobicContact CE1-CD2 4.44Å; F210-F267 AromaticContact CE1-CE2 3.81Å; F210-F267 HydrophobicContact CE1-CE2 3.81Å; I228-F267 HydrophobicContact CB-CE1 3.75Å; I228-F267 HydrophobicContact CB-CZ 4.01Å; I228-F267 HydrophobicContact CG2-CE1 3.64Å; I228-F267 HydrophobicContact CG2-CZ 4.41Å; T260-F267 HydrophobicContact CG2-CD1 4.49Å; M264-F267 HydrophobicContact CB-CB 3.86Å; M264-F267 HydrophobicContact CE-CB 3.94Å; M264-F267 HydrophobicContact CE-CD1 4.11Å; M264-F267 HydrophobicContact CE-CD2 3.74Å; M264-F267 HydrophobicContact CE-CE2 4.25Å; M264-F267 HydrophobicContact CE-CG 3.67Å; M264-F267 WeakPolarHBondContact O-CB 3.24Å; M264-F267 PolarHBondContact O-N 3.03Å; F267-S269 PolarHBondContact O-N 3.34Å; F267-R315 WeakPolarHBondContact O-CD 3.39Å
268	N	95.3	Very high	96.5	Very high	33 Å²	33	28.8 Å²	28.8	18%	0.176	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	110.9	174.7	-52.6	-58.4	0	0	0	108.1	G226 T227 I228 I270 R315	G226-N268 PolarHBondContact O-N 3.17Å; G226-N268 PolarHBondContact O-ND2 3.01Å; G226-N268 VanDerWaalsContact O-ND2 3.13Å; T227-N268 WeakPolarHBondContact CA-O 3.49Å; T227-N268 HydrophobicContact CG2-CB 3.96Å; T227-N268 WeakPolarHBondContact OG1-CB 3.17Å; T227-N268 PolarHBondContact OG1-ND2 2.98Å; I228-N268 PolarHBondContact N-O 3.36Å; I228-N268 VanDerWaalsContact N-O 3.12Å; N268-I270 VanDerWaalsContact C-N 3.26Å; N268-I270 PolarHBondContact O-N 3.27Å; N268-R315 WeakPolarHBondContact CA-O 3.29Å; N268-R315 WeakPolarHBondContact CB-O 3.28Å
269	S	94.4	Very high	96.7	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.014	14%	0.141	C	C	.	.			trans	-78.4	-7.9	-170.5	56.5	0	0	0	0	114.3	I228 N230 F257 T260 F267	I228-S269 WeakPolarHBondContact CG2-O 3.24Å; N230-S269 WeakPolarHBondContact CB-O 3.01Å; N230-S269 PolarHBondContact ND2-O 2.82Å; F257-S269 WeakPolarHBondContact CD1-OG 3.06Å; F257-S269 WeakPolarHBondContact CE1-OG 3.46Å; T260-S269 WeakPolarHBondContact OG1-CB 3.4Å; F267-S269 PolarHBondContact O-N 3.34Å
270	I	98.2	Very high	96.7	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	147.8	175.4	-168.2	165.2	0	0	0	110.9	I228 Q229 N230 D231 F257 N268 I272 Y298 L316 S317	I228-I270 CarbonylContact O-C 3.47Å; I228-I270 WeakPolarHBondContact O-CA 3.26Å; Q229-I270 WeakPolarHBondContact O-CG1 3.3Å; N230-I270 HydrophobicContact CB-CG1 4.42Å; N230-I270 VanDerWaalsContact O-CD1 3.25Å; N230-I270 WeakPolarHBondContact O-CD1 3.26Å; N230-I270 WeakPolarHBondContact O-CG1 3.45Å; D231-I270 HydrophobicContact CB-CG1 4.49Å; F257-I270 HydrophobicContact CE1-CB 3.9Å; F257-I270 HydrophobicContact CE1-CD1 4.49Å; F257-I270 HydrophobicContact CE1-CG2 3.88Å; F257-I270 HydrophobicContact CZ-CB 4.1Å; F257-I270 HydrophobicContact CZ-CD1 4.03Å; F257-I270 HydrophobicContact CZ-CG2 3.81Å; N268-I270 VanDerWaalsContact C-N 3.26Å; N268-I270 PolarHBondContact O-N 3.27Å; I270-I272 HydrophobicContact CD1-CG1 4.35Å; I270-I272 HydrophobicContact CG1-CG1 4.24Å; I270-I272 HydrophobicContact CG2-CG1 4.27Å; I270-Y298 HydrophobicContact CD1-CD1 3.75Å; I270-Y298 HydrophobicContact CD1-CD2 3.5Å; I270-Y298 HydrophobicContact CD1-CE1 3.86Å; I270-Y298 HydrophobicContact CD1-CE2 3.58Å; I270-Y298 HydrophobicContact CD1-CG 3.59Å; I270-L316 HydrophobicContact CG2-CD2 3.19Å; I270-L316 HydrophobicContact CG2-CG 4.48Å; I270-S317 PolarHBondContact O-N 3.19Å; I270-S317 PolarHBondContact O-OG 2.84Å
271	S	98.3	Very high	96.8	Very high	11 Å²	11	28.6 Å²	28.6	8%	0.077	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	97.1	168.5	-175.9	0	0	0	0	108.8	I228 Q229 S273 S317 F319	I228-S271 PolarHBondContact O-N 2.92Å; Q229-S271 PolarHBondContact O-N 3.15Å; S271-S273 PolarHBondContact O-N 2.88Å; S271-S273 PolarHBondContact O-OG 3.38Å; S271-S317 CarbonylContact C-O 3.53Å; S271-S317 WeakPolarHBondContact CA-O 3.45Å; S271-F319 WeakPolarHBondContact OG-CB 3.27Å
272	I	98.8	Very high	97.1	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	112.2	-176.4	-53.8	161.2	0	0	0	108.4	D231 I270 T291 N294 Y298 L316 S317 F318 F319 W340	D231-I272 WeakPolarHBondContact OD2-CA 3.38Å; I270-I272 HydrophobicContact CD1-CG1 4.35Å; I270-I272 HydrophobicContact CG1-CG1 4.24Å; I270-I272 HydrophobicContact CG2-CG1 4.27Å; I272-T291 HydrophobicContact CG2-CG2 3.83Å; I272-T291 WeakPolarHBondContact CG2-O 3.44Å; I272-N294 HydrophobicContact CG2-CB 4.07Å; I272-Y298 HydrophobicContact CG1-CD2 4.03Å; I272-Y298 HydrophobicContact CG2-CD2 4.46Å; I272-L316 HydrophobicContact CD1-CB 4.38Å; I272-L316 HydrophobicContact CD1-CD1 4.49Å; I272-L316 HydrophobicContact CD1-CD2 4.44Å; I272-S317 PolarHBondContact N-O 3.47Å; I272-F318 HydrophobicContact CB-CD1 3.89Å; I272-F318 HydrophobicContact CB-CE1 3.88Å; I272-F318 HydrophobicContact CB-CG 4.37Å; I272-F318 HydrophobicContact CB-CZ 4.35Å; I272-F318 HydrophobicContact CD1-CE1 3.99Å; I272-F318 HydrophobicContact CD1-CE2 3.91Å; I272-F318 HydrophobicContact CD1-CZ 3.61Å; I272-F318 HydrophobicContact CG2-CD1 4.17Å; I272-F318 HydrophobicContact CG2-CE1 3.87Å; I272-F318 CarbonylContact O-C 3.55Å; I272-F318 VanDerWaalsContact O-CA 3.23Å; I272-F318 WeakPolarHBondContact O-CA 3.5Å; I272-F319 PolarHBondContact O-N 3.32Å; I272-W340 HydrophobicContact CD1-CH2 4.49Å
273	S	98.5	Very high	97.4	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	116.7	-154.9	-64	0	0	0	0	114	D231 S271 F319	D231-S273 PolarHBondContact OD2-N 2.95Å; S271-S273 PolarHBondContact O-N 2.88Å; S271-S273 PolarHBondContact O-OG 3.38Å; S273-F319 CarbonylContact C-O 3.35Å; S273-F319 WeakPolarHBondContact CA-O 3.36Å
274	G	98.6	Very high	97.4	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.092	C	C	.	.			trans	-91.4	-24.8	168	0	0	0	0	0	114.7	H276 L277 Q278 E287 T291 F319	G274-H276 VanDerWaalsContact C-N 3.33Å; G274-H276 PolarHBondContact O-N 2.93Å; G274-H276 VanDerWaalsContact O-N 3.16Å; G274-L277 WeakPolarHBondContact O-CA 3.49Å; G274-L277 VanDerWaalsContact O-CB 3.26Å; G274-L277 WeakPolarHBondContact O-CB 3.36Å; G274-L277 PolarHBondContact O-N 3.34Å; G274-Q278 PolarHBondContact O-N 3.47Å; G274-Q278 VanDerWaalsContact O-N 3.16Å; G274-E287 VanDerWaalsContact C-OE1 3.28Å; G274-E287 WeakPolarHBondContact O-CG 3.43Å; G274-T291 WeakPolarHBondContact CA-OG1 3.39Å; G274-T291 PolarHBondContact N-OG1 3.06Å; G274-F319 PolarHBondContact N-O 2.92Å
275	Y	98.7	Very high	97.5	Very high	23 Å²	23	17.5 Å²	17.5	9%	0.09	9%	0.092	C	C	.	.	H	α-helix	trans	-43.2	-55.9	-179	171.9	-103.6	0	0	0	113.1	L277 Q278 E279 F319 G321 Q363	Y275-L277 VanDerWaalsContact C-N 3.25Å; Y275-L277 PolarHBondContact O-N 3.44Å; Y275-Q278 WeakPolarHBondContact O-CB 3.41Å; Y275-Q278 PolarHBondContact O-N 2.94Å; Y275-Q278 VanDerWaalsContact O-N 3.09Å; Y275-E279 HydrophobicContact CD1-CG 4.17Å; Y275-E279 HydrophobicContact CD2-CG 4.16Å; Y275-E279 HydrophobicContact CE1-CG 3.75Å; Y275-E279 HydrophobicContact CE2-CG 3.75Å; Y275-E279 HydrophobicContact CG-CG 4.36Å; Y275-E279 WeakPolarHBondContact O-CG 3.32Å; Y275-E279 PolarHBondContact O-N 3.12Å; Y275-F319 AromaticContact CD1-CE1 3.82Å; Y275-F319 HydrophobicContact CD1-CE1 3.82Å; Y275-F319 AromaticContact CD1-CZ 3.69Å; Y275-F319 HydrophobicContact CD1-CZ 3.69Å; Y275-F319 HydrophobicContact CD2-CE2 4.26Å; Y275-F319 AromaticContact CD2-CZ 3.98Å; Y275-F319 HydrophobicContact CD2-CZ 3.98Å; Y275-F319 HydrophobicContact CE1-CZ 4.43Å; Y275-F319 AromaticContact CG-CE1 3.83Å; Y275-F319 HydrophobicContact CG-CE1 3.83Å; Y275-F319 AromaticContact CG-CE2 3.99Å; Y275-F319 HydrophobicContact CG-CE2 3.99Å; Y275-F319 AromaticContact CG-CZ 3.43Å; Y275-F319 HydrophobicContact CG-CZ 3.43Å; Y275-F319 VanDerWaalsContact CG-CZ 3.43Å; Y275-F319 PolarHBondContact N-O 2.52Å; Y275-F319 VanDerWaalsContact N-O 3.1Å; Y275-G321 VanDerWaalsContact CA-N 3.33Å; Y275-Q363 HydrophobicContact CD2-CB 3.85Å; Y275-Q363 HydrophobicContact CD2-CG 4.21Å; Y275-Q363 HydrophobicContact CE2-CB 3.79Å; Y275-Q363 HydrophobicContact CE2-CG 3.61Å; Y275-Q363 PolarHBondContact OH-NE2 3.33Å
276	H	98.4	Very high	97.8	Very high	21 Å²	21	15 Å²	15	10%	0.097	8%	0.076	C	C	.	.	H	α-helix	trans	-65.1	-28.5	-176.9	-42.2	86	0	0	0	113.1	Q229 K234 V238 R239 G274 A280 F319	Q229-H276 PolarHBondContact NE2-CE1 3.07Å; Q229-H276 VanDerWaalsContact NE2-CE1 3.31Å; K234-H276 HydrophobicContact CD-CB 4.25Å; K234-H276 VanDerWaalsContact CE-CE1 3.49Å; K234-H276 WeakPolarHBondContact CE-CE1 3.48Å; K234-H276 WeakPolarHBondContact CE-ND1 3.01Å; V238-H276 HydrophobicContact CG2-CB 3.79Å; V238-H276 WeakPolarHBondContact CG2-O 3.39Å; R239-H276 HydrophobicContact CB-CB 4.4Å; R239-H276 WeakPolarHBondContact CD-CD2 3.36Å; R239-H276 PolarHBondContact NE-CD2 2.88Å; R239-H276 PolarHBondContact NE-NE2 3.49Å; G274-H276 VanDerWaalsContact C-N 3.33Å; G274-H276 PolarHBondContact O-N 2.93Å; G274-H276 VanDerWaalsContact O-N 3.16Å; H276-A280 WeakPolarHBondContact O-CB 3.1Å; H276-A280 PolarHBondContact O-N 3.16Å; H276-F319 AromaticContact CE1-CD1 3.97Å; H276-F319 AromaticContact CE1-CE1 3.77Å
277	L	98.7	Very high	98	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-66.1	-46.3	175	-52.7	177	0	0	0	109.4	K234 M237 V238 G274 Y275 A280 G281 A282 I479	K234-L277 HydrophobicContact CB-CD2 4.35Å; M237-L277 HydrophobicContact CB-CD2 4.19Å; M237-L277 HydrophobicContact CE-CD2 4Å; M237-L277 HydrophobicContact SD-CD2 4.11Å; V238-L277 HydrophobicContact CG1-CD2 3.95Å; V238-L277 HydrophobicContact CG2-CD2 3.71Å; G274-L277 WeakPolarHBondContact O-CA 3.49Å; G274-L277 VanDerWaalsContact O-CB 3.26Å; G274-L277 WeakPolarHBondContact O-CB 3.36Å; G274-L277 PolarHBondContact O-N 3.34Å; Y275-L277 VanDerWaalsContact C-N 3.25Å; Y275-L277 PolarHBondContact O-N 3.44Å; L277-A280 PolarHBondContact O-N 2.95Å; L277-G281 PolarHBondContact O-N 3.3Å; L277-A282 VanDerWaalsContact C-CB 3.46Å; L277-A282 HydrophobicContact CB-CB 3.93Å; L277-A282 WeakPolarHBondContact O-CB 3.44Å; L277-A282 PolarHBondContact O-N 3.17Å; L277-I479 HydrophobicContact CB-CD1 4.3Å; L277-I479 HydrophobicContact CD2-CD1 3.84Å
278	Q	98.8	Very high	98.2	Very high	14 Å²	14	9.5 Å²	9.5	7%	0.065	5%	0.052	C	C	.	.	H	α-helix	trans	-62	-45.6	176.3	-175.7	174.5	19.8	0	0	111.8	G274 Y275 A280 G281 E287 G321 E329	G274-Q278 PolarHBondContact O-N 3.47Å; G274-Q278 VanDerWaalsContact O-N 3.16Å; Y275-Q278 WeakPolarHBondContact O-CB 3.41Å; Y275-Q278 PolarHBondContact O-N 2.94Å; Y275-Q278 VanDerWaalsContact O-N 3.09Å; Q278-A280 PolarHBondContact O-N 3.39Å; Q278-G281 WeakPolarHBondContact O-CA 3.27Å; Q278-G281 PolarHBondContact O-N 3.49Å; Q278-E287 PolarHBondContact OE1-OE2 3.3Å; Q278-G321 PolarHBondContact OE1-O 3.18Å; Q278-E329 PolarHBondContact NE2-OE1 3.43Å
279	E	98.3	Very high	98.3	Very high	34 Å²	34	7.9 Å²	7.9	16%	0.159	4%	0.044	C	C	.	.	H	α-helix	trans	-61.5	-33.6	178.2	-64.5	-57.3	99	0	0	112.3	Y275 G281 S365 G366 W367 R640	Y275-E279 HydrophobicContact CD1-CG 4.17Å; Y275-E279 HydrophobicContact CD2-CG 4.16Å; Y275-E279 HydrophobicContact CE1-CG 3.75Å; Y275-E279 HydrophobicContact CE2-CG 3.75Å; Y275-E279 HydrophobicContact CG-CG 4.36Å; Y275-E279 WeakPolarHBondContact O-CG 3.32Å; Y275-E279 PolarHBondContact O-N 3.12Å; E279-G281 VanDerWaalsContact C-N 3.27Å; E279-G281 PolarHBondContact O-N 2.98Å; E279-S365 WeakPolarHBondContact OE1-CA 3.42Å; E279-S365 WeakPolarHBondContact OE1-CB 3.5Å; E279-S365 PolarHBondContact OE1-OG 2.75Å; E279-G366 VanDerWaalsContact OE2-CA 3.31Å; E279-G366 WeakPolarHBondContact OE2-CA 3.33Å; E279-G366 PolarHBondContact OE2-N 2.8Å; E279-W367 PolarHBondContact OE2-N 3.19Å; E279-R640 VanDerWaalsContact O-CD 3.27Å; E279-R640 WeakPolarHBondContact O-CD 3.49Å; E279-R640 PolarHBondContact O-NH1 3.18Å
280	A	98.1	Very high	98.5	Very high	14 Å²	14	8 Å²	8	12%	0.116	4%	0.044	C	C	.	.	H	α-helix	trans	-75.9	-12.6	173.8	0	0	0	0	0	114	V238 H276 L277 Q278 I479 A483 R640	V238-A280 HydrophobicContact CB-CB 3.65Å; V238-A280 HydrophobicContact CG1-CB 3.5Å; H276-A280 WeakPolarHBondContact O-CB 3.1Å; H276-A280 PolarHBondContact O-N 3.16Å; L277-A280 PolarHBondContact O-N 2.95Å; Q278-A280 PolarHBondContact O-N 3.39Å; A280-I479 HydrophobicContact CB-CG2 3.81Å; A280-A483 WeakPolarHBondContact O-CB 3.46Å; A280-R640 WeakPolarHBondContact O-CD 3.43Å
281	G	97.9	Very high	98.6	Very high	6 Å²	6	8 Å²	8	6%	0.062	4%	0.044	C	C	.	.	T	Hydrogen-bonded Turn	trans	120.3	5.1	172.6	0	0	0	0	0	115.5	L277 Q278 E279 D283 C482	L277-G281 PolarHBondContact O-N 3.3Å; Q278-G281 WeakPolarHBondContact O-CA 3.27Å; Q278-G281 PolarHBondContact O-N 3.49Å; E279-G281 VanDerWaalsContact C-N 3.27Å; E279-G281 PolarHBondContact O-N 2.98Å; G281-D283 PolarHBondContact O-N 3.44Å; G281-C482 WeakPolarHBondContact O-CB 3.47Å
282	A	98.6	Very high	98.6	Very high	4 Å²	4	7.4 Å²	7.4	3%	0.033	4%	0.04	C	C	.	.			trans	-60.4	134.8	173.1	0	0	0	0	0	109.8	L277 L286 I479	L277-A282 VanDerWaalsContact C-CB 3.46Å; L277-A282 HydrophobicContact CB-CB 3.93Å; L277-A282 WeakPolarHBondContact O-CB 3.44Å; L277-A282 PolarHBondContact O-N 3.17Å; A282-L286 HydrophobicContact CB-CB 4.08Å; A282-I479 HydrophobicContact CB-CD1 4.37Å; A282-I479 HydrophobicContact CB-CG1 3.94Å; A282-I479 HydrophobicContact CB-CG2 4.37Å
283	D	98.5	Very high	98.6	Very high	26 Å²	26	7.4 Å²	7.4	14%	0.139	4%	0.04	C	C	.	.			trans	-72.5	172.8	165.4	63.2	60.8	0	0	0	111	E76 G281 I285 L286 E287 C482	E76-D283 HydrophobicContact CG-CB 4.02Å; G281-D283 PolarHBondContact O-N 3.44Å; D283-I285 PolarHBondContact O-N 3.11Å; D283-I285 WeakPolarHBondContact OD1-CA 3.44Å; D283-I285 WeakPolarHBondContact OD1-CB 3.41Å; D283-I285 PolarHBondContact OD1-N 3.34Å; D283-L286 PolarHBondContact O-N 3.28Å; D283-L286 PolarHBondContact OD1-N 3.35Å; D283-E287 WeakPolarHBondContact O-CB 3.45Å; D283-E287 PolarHBondContact O-N 3Å; D283-C482 PolarHBondContact OD2-SG 3.18Å; D283-C482 VanDerWaalsContact OD2-SG 3.38Å
284	A	98.6	Very high	98.6	Very high	2 Å²	2	7.4 Å²	7.4	2%	0.017	4%	0.04	C	C	.	.	H	α-helix	trans	-61.4	-29.3	-175.1	0	0	0	0	0	113.6	E76 V288 M328 K332	E76-A284 HydrophobicContact CG-CB 4.14Å; A284-V288 VanDerWaalsContact O-CG2 3.31Å; A284-V288 WeakPolarHBondContact O-CG2 3.5Å; A284-V288 PolarHBondContact O-N 3.2Å; A284-V288 VanDerWaalsContact O-N 3.11Å; A284-M328 HydrophobicContact CB-CG 3.57Å; A284-M328 HydrophobicContact CB-SD 4.33Å; A284-K332 HydrophobicContact CB-CD 4.01Å; A284-K332 HydrophobicContact CB-CG 4.39Å
285	I	98.7	Very high	98.6	Very high	1 Å²	1	7.4 Å²	7.4	1%	0.005	4%	0.04	C	C	.	.	H	α-helix	trans	-73.6	-48.5	-179.5	-58.5	-57	0	0	0	110.1	E76 L78 D283 E287 V288 A289 V449 T452 A453 F456	E76-I285 HydrophobicContact CB-CG1 3.72Å; E76-I285 HydrophobicContact CG-CG1 3.93Å; L78-I285 HydrophobicContact CD1-CD1 4.14Å; D283-I285 PolarHBondContact O-N 3.11Å; D283-I285 WeakPolarHBondContact OD1-CA 3.44Å; D283-I285 WeakPolarHBondContact OD1-CB 3.41Å; D283-I285 PolarHBondContact OD1-N 3.34Å; I285-E287 VanDerWaalsContact C-N 3.31Å; I285-E287 PolarHBondContact O-N 3.37Å; I285-V288 PolarHBondContact O-N 3.24Å; I285-A289 VanDerWaalsContact O-CB 3.28Å; I285-A289 WeakPolarHBondContact O-CB 3.25Å; I285-A289 PolarHBondContact O-N 3.38Å; I285-V449 HydrophobicContact CD1-CB 4.12Å; I285-V449 HydrophobicContact CD1-CG1 3.96Å; I285-V449 HydrophobicContact CD1-CG2 4.02Å; I285-T452 HydrophobicContact CG1-CG2 4.37Å; I285-T452 HydrophobicContact CG2-CG2 3.72Å; I285-A453 HydrophobicContact CG2-CB 4.46Å; I285-F456 HydrophobicContact CG2-CD2 3.58Å; I285-F456 HydrophobicContact CG2-CE2 3.66Å
286	L	98.6	Very high	98.6	Very high	8 Å²	8	6.3 Å²	6.3	4%	0.042	4%	0.036	C	C	.	.	H	α-helix	trans	-62.4	-40.9	176.6	-66	-173.2	0	0	0	111.2	A282 D283 A289 Y290 F456 R478	A282-L286 HydrophobicContact CB-CB 4.08Å; D283-L286 PolarHBondContact O-N 3.28Å; D283-L286 PolarHBondContact OD1-N 3.35Å; L286-A289 PolarHBondContact O-N 3.04Å; L286-Y290 HydrophobicContact CB-CD2 4.42Å; L286-Y290 HydrophobicContact CB-CE2 4.2Å; L286-Y290 HydrophobicContact CD2-CE1 4.32Å; L286-Y290 HydrophobicContact CD2-CE2 4.28Å; L286-Y290 VanDerWaalsContact O-CB 3.28Å; L286-Y290 WeakPolarHBondContact O-CB 3.37Å; L286-Y290 VanDerWaalsContact O-CG 3.26Å; L286-Y290 PolarHBondContact O-N 3.26Å; L286-F456 HydrophobicContact CD2-CE2 4.46Å; L286-F456 HydrophobicContact CD2-CZ 4.42Å; L286-R478 HydrophobicContact CD1-CB 4.24Å
287	E	98.9	Very high	98.6	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-57.5	-51.5	175.8	-169.1	-171.5	171.6	0	0	111.2	G274 Q278 D283 I285 T291 W320 G321 K332	G274-E287 VanDerWaalsContact C-OE1 3.28Å; G274-E287 WeakPolarHBondContact O-CG 3.43Å; Q278-E287 PolarHBondContact OE1-OE2 3.3Å; D283-E287 WeakPolarHBondContact O-CB 3.45Å; D283-E287 PolarHBondContact O-N 3Å; I285-E287 VanDerWaalsContact C-N 3.31Å; I285-E287 PolarHBondContact O-N 3.37Å; E287-T291 WeakPolarHBondContact O-CB 3.42Å; E287-T291 PolarHBondContact O-N 3.44Å; E287-T291 VanDerWaalsContact O-N 3.07Å; E287-T291 PolarHBondContact O-OG1 2.68Å; E287-W320 HydrophobicContact CG-CE3 3.94Å; E287-W320 HydrophobicContact CG-CZ3 4.02Å; E287-G321 PolarHBondContact OE1-N 2.86Å; E287-K332 VanDerWaalsContact CD-NZ 3.28Å; E287-K332 IonicContact OE1-NZ 3.99Å; E287-K332 PolarHBondContact OE1-NZ 3.4Å; E287-K332 WeakPolarHBondContact OE2-CD 3.44Å; E287-K332 IonicContact OE2-NZ 3.59Å; E287-K332 PolarHBondContact OE2-NZ 3.25Å
288	V	98.8	Very high	98.6	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-62.5	-50.2	178.8	172.9	0	0	0	0	111.2	A284 I285 Y290 I292 W320 K332 A453	A284-V288 VanDerWaalsContact O-CG2 3.31Å; A284-V288 WeakPolarHBondContact O-CG2 3.5Å; A284-V288 PolarHBondContact O-N 3.2Å; A284-V288 VanDerWaalsContact O-N 3.11Å; I285-V288 PolarHBondContact O-N 3.24Å; V288-Y290 PolarHBondContact O-N 3.13Å; V288-I292 HydrophobicContact CG1-CG1 4.34Å; V288-I292 WeakPolarHBondContact O-CB 3.39Å; V288-I292 VanDerWaalsContact O-CG1 3.26Å; V288-I292 WeakPolarHBondContact O-CG1 3.46Å; V288-I292 PolarHBondContact O-N 2.89Å; V288-W320 HydrophobicContact CG2-CH2 4.36Å; V288-W320 HydrophobicContact CG2-CZ3 4.36Å; V288-K332 HydrophobicContact CG2-CB 4.42Å; V288-K332 HydrophobicContact CG2-CD 3.97Å; V288-K332 HydrophobicContact CG2-CG 3.2Å; V288-A453 HydrophobicContact CB-CB 4.1Å; V288-A453 HydrophobicContact CG1-CB 3.7Å
289	A	98.8	Very high	98.6	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-59.6	-51.3	-175.1	0	0	0	0	0	111.6	I285 L286 A293 A453 F456 I457	I285-A289 VanDerWaalsContact O-CB 3.28Å; I285-A289 WeakPolarHBondContact O-CB 3.25Å; I285-A289 PolarHBondContact O-N 3.38Å; L286-A289 PolarHBondContact O-N 3.04Å; A289-A293 VanDerWaalsContact O-CB 3.26Å; A289-A293 WeakPolarHBondContact O-CB 3.27Å; A289-A293 PolarHBondContact O-N 2.98Å; A289-A453 HydrophobicContact CB-CB 4.37Å; A289-F456 HydrophobicContact CB-CB 3.66Å; A289-I457 HydrophobicContact CB-CG1 4.02Å; A289-I457 WeakPolarHBondContact O-CG1 3.49Å
290	Y	98.8	Very high	98.5	Very high	3 Å²	3	8.1 Å²	8.1	1%	0.012	4%	0.041	C	C	.	.	H	α-helix	trans	-71.3	-37.3	-175.7	-65.2	-9.3	0	0	0	112.3	L286 V288 A293 N294 I460 M466 P475 R478 I479	L286-Y290 HydrophobicContact CB-CD2 4.42Å; L286-Y290 HydrophobicContact CB-CE2 4.2Å; L286-Y290 HydrophobicContact CD2-CE1 4.32Å; L286-Y290 HydrophobicContact CD2-CE2 4.28Å; L286-Y290 VanDerWaalsContact O-CB 3.28Å; L286-Y290 WeakPolarHBondContact O-CB 3.37Å; L286-Y290 VanDerWaalsContact O-CG 3.26Å; L286-Y290 PolarHBondContact O-N 3.26Å; V288-Y290 PolarHBondContact O-N 3.13Å; Y290-A293 PolarHBondContact O-N 3.05Å; Y290-N294 WeakPolarHBondContact O-CB 3.42Å; Y290-N294 VanDerWaalsContact O-CG 3.31Å; Y290-N294 PolarHBondContact O-N 3.29Å; Y290-N294 PolarHBondContact O-OD1 2.79Å; Y290-I460 HydrophobicContact CD1-CD1 3.56Å; Y290-I460 HydrophobicContact CE1-CD1 3.74Å; Y290-M466 HydrophobicContact CD1-CE 4.01Å; Y290-M466 HydrophobicContact CD2-CE 4.37Å; Y290-M466 HydrophobicContact CG-CE 3.79Å; Y290-P475 HydrophobicContact CD2-CB 4.03Å; Y290-P475 HydrophobicContact CE2-CB 3.67Å; Y290-R478 VanDerWaalsContact OH-CD 3.32Å; Y290-R478 WeakPolarHBondContact OH-CD 3.23Å; Y290-I479 HydrophobicContact CD2-CD1 4.11Å; Y290-I479 HydrophobicContact CD2-CG1 4.46Å; Y290-I479 HydrophobicContact CE2-CD1 4.16Å; Y290-I479 HydrophobicContact CE2-CG1 4.11Å
291	T	98.9	Very high	98.4	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-67.4	-42.3	178.1	-55.3	0	0	0	0	111.2	I272 G274 E287 N294 G295 F318 W320	I272-T291 HydrophobicContact CG2-CG2 3.83Å; I272-T291 WeakPolarHBondContact CG2-O 3.44Å; G274-T291 WeakPolarHBondContact CA-OG1 3.39Å; G274-T291 PolarHBondContact N-OG1 3.06Å; E287-T291 WeakPolarHBondContact O-CB 3.42Å; E287-T291 PolarHBondContact O-N 3.44Å; E287-T291 VanDerWaalsContact O-N 3.07Å; E287-T291 PolarHBondContact O-OG1 2.68Å; T291-N294 WeakPolarHBondContact O-CB 3.38Å; T291-N294 PolarHBondContact O-N 3.49Å; T291-G295 PolarHBondContact O-N 3Å; T291-F318 HydrophobicContact CG2-CD1 3.88Å; T291-F318 HydrophobicContact CG2-CE1 4.23Å; T291-W320 VanDerWaalsContact CB-CZ3 3.43Å; T291-W320 HydrophobicContact CG2-CE3 4.37Å; T291-W320 HydrophobicContact CG2-CH2 3.59Å; T291-W320 HydrophobicContact CG2-CZ2 4.3Å; T291-W320 HydrophobicContact CG2-CZ3 3.63Å; T291-W320 WeakPolarHBondContact OG1-CZ3 3.39Å
292	I	98.8	Very high	98.3	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-68.2	-41.9	176.1	-63.3	-70.8	0	0	0	110.9	V288 N294 G295 L296 F318 L339 W340 L343 L358 I457	V288-I292 HydrophobicContact CG1-CG1 4.34Å; V288-I292 WeakPolarHBondContact O-CB 3.39Å; V288-I292 VanDerWaalsContact O-CG1 3.26Å; V288-I292 WeakPolarHBondContact O-CG1 3.46Å; V288-I292 PolarHBondContact O-N 2.89Å; I292-N294 VanDerWaalsContact C-N 3.34Å; I292-N294 PolarHBondContact O-N 3.09Å; I292-G295 CarbonylContact O-C 3.56Å; I292-G295 WeakPolarHBondContact O-CA 3.47Å; I292-G295 PolarHBondContact O-N 3.41Å; I292-L296 PolarHBondContact O-N 3.23Å; I292-F318 HydrophobicContact CD1-CE1 3.88Å; I292-F318 HydrophobicContact CD1-CZ 4.3Å; I292-L339 HydrophobicContact CB-CD2 3.89Å; I292-L339 HydrophobicContact CD1-CD2 4.39Å; I292-L339 HydrophobicContact CG1-CD2 3.73Å; I292-L339 HydrophobicContact CG2-CD2 3.54Å; I292-W340 HydrophobicContact CD1-CB 3.88Å; I292-W340 HydrophobicContact CD1-CE3 3.98Å; I292-W340 HydrophobicContact CG2-CE3 4.22Å; I292-L343 HydrophobicContact CG2-CD1 3.68Å; I292-L358 HydrophobicContact CD1-CD1 3.82Å; I292-I457 HydrophobicContact CB-CD1 3.88Å; I292-I457 HydrophobicContact CG2-CD1 3.89Å
293	A	98.8	Very high	98.2	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-61.4	-40.2	176.7	0	0	0	0	0	112.4	A289 Y290 G295 L296 E297 I460 M466	A289-A293 VanDerWaalsContact O-CB 3.26Å; A289-A293 WeakPolarHBondContact O-CB 3.27Å; A289-A293 PolarHBondContact O-N 2.98Å; Y290-A293 PolarHBondContact O-N 3.05Å; A293-G295 VanDerWaalsContact C-N 3.3Å; A293-G295 PolarHBondContact O-N 3.01Å; A293-L296 PolarHBondContact O-N 2.85Å; A293-E297 PolarHBondContact O-N 3.13Å; A293-E297 VanDerWaalsContact O-N 3.12Å; A293-I460 HydrophobicContact CB-CD1 3.94Å; A293-I460 HydrophobicContact CB-CG2 4.06Å; A293-M466 HydrophobicContact CB-CB 4.09Å; A293-M466 HydrophobicContact CB-CG 4.16Å; A293-M466 HydrophobicContact CB-SD 4.22Å
294	N	98.7	Very high	97.8	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-55.2	-47.5	168.4	-80	-1.8	0	0	0	110.7	L233 M237 I272 Y290 T291 I292 L296 E297 Y298 M466	L233-N294 WeakPolarHBondContact CB-OD1 3.31Å; L233-N294 HydrophobicContact CD1-CB 4.21Å; M237-N294 VanDerWaalsContact CE-ND2 3.31Å; M237-N294 WeakPolarHBondContact CE-ND2 3.46Å; M237-N294 WeakPolarHBondContact CE-OD1 3.33Å; I272-N294 HydrophobicContact CG2-CB 4.07Å; Y290-N294 WeakPolarHBondContact O-CB 3.42Å; Y290-N294 VanDerWaalsContact O-CG 3.31Å; Y290-N294 PolarHBondContact O-N 3.29Å; Y290-N294 PolarHBondContact O-OD1 2.79Å; T291-N294 WeakPolarHBondContact O-CB 3.38Å; T291-N294 PolarHBondContact O-N 3.49Å; I292-N294 VanDerWaalsContact C-N 3.34Å; I292-N294 PolarHBondContact O-N 3.09Å; N294-L296 VanDerWaalsContact C-N 3.32Å; N294-L296 PolarHBondContact O-N 2.97Å; N294-E297 WeakPolarHBondContact O-CB 3.23Å; N294-E297 PolarHBondContact O-N 3.42Å; N294-E297 VanDerWaalsContact O-N 3.1Å; N294-Y298 HydrophobicContact CB-CD2 4.36Å; N294-Y298 HydrophobicContact CB-CE2 3.99Å; N294-Y298 WeakPolarHBondContact O-CD2 3.29Å; N294-Y298 PolarHBondContact O-N 2.94Å; N294-M466 WeakPolarHBondContact OD1-CG 3.37Å
295	G	98.5	Very high	97.3	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-58.3	-39	178	0	0	0	0	0	114	T291 I292 A293 Y298 C299	T291-G295 PolarHBondContact O-N 3Å; I292-G295 CarbonylContact O-C 3.56Å; I292-G295 WeakPolarHBondContact O-CA 3.47Å; I292-G295 PolarHBondContact O-N 3.41Å; A293-G295 VanDerWaalsContact C-N 3.3Å; A293-G295 PolarHBondContact O-N 3.01Å; G295-Y298 PolarHBondContact O-N 3.05Å; G295-C299 PolarHBondContact O-N 3.16Å; G295-C299 PolarHBondContact O-SG 3.16Å
296	L	98.7	Very high	96.9	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-64.4	-41	174.2	-61.3	-178.5	0	0	0	111.6	I292 A293 N294 Y298 C299 R300 W340 L343 I344 K347 F348 I457 E461	I292-L296 PolarHBondContact O-N 3.23Å; A293-L296 PolarHBondContact O-N 2.85Å; N294-L296 VanDerWaalsContact C-N 3.32Å; N294-L296 PolarHBondContact O-N 2.97Å; L296-Y298 VanDerWaalsContact C-N 3.35Å; L296-C299 WeakPolarHBondContact O-CB 3.39Å; L296-C299 PolarHBondContact O-N 3.31Å; L296-R300 WeakPolarHBondContact O-CG 3.36Å; L296-R300 PolarHBondContact O-N 3.2Å; L296-W340 HydrophobicContact CD2-CZ3 4.5Å; L296-L343 HydrophobicContact CD1-CD1 4.37Å; L296-L343 HydrophobicContact CD2-CB 4.16Å; L296-I344 HydrophobicContact CD2-CD1 4.12Å; L296-K347 HydrophobicContact CD1-CD 4.1Å; L296-K347 HydrophobicContact CD2-CD 4.26Å; L296-F348 HydrophobicContact CD2-CE2 3.87Å; L296-I457 HydrophobicContact CD1-CG2 4.23Å; L296-E461 HydrophobicContact CD1-CG 4.47Å
297	E	98.3	Very high	96.7	Very high	31 Å²	31	24.3 Å²	24.3	15%	0.145	14%	0.136	C	C	.	.	H	α-helix	trans	-65.3	-38.6	176.6	-160	59.5	-146.7	0	0	111.9	L233 M250 A293 N294 C299 R300 T301 M466 A467	L233-E297 HydrophobicContact CD1-CB 3.93Å; L233-E297 HydrophobicContact CD1-CG 4.04Å; M250-E297 HydrophobicContact CE-CG 4.26Å; A293-E297 PolarHBondContact O-N 3.13Å; A293-E297 VanDerWaalsContact O-N 3.12Å; N294-E297 WeakPolarHBondContact O-CB 3.23Å; N294-E297 PolarHBondContact O-N 3.42Å; N294-E297 VanDerWaalsContact O-N 3.1Å; E297-C299 VanDerWaalsContact C-N 3.34Å; E297-R300 WeakPolarHBondContact O-CB 3.41Å; E297-R300 PolarHBondContact O-N 2.83Å; E297-R300 IonicContact OE2-CZ 3.91Å; E297-R300 IonicContact OE2-NH1 3.63Å; E297-R300 PolarHBondContact OE2-NH1 3.29Å; E297-T301 WeakPolarHBondContact O-CB 3.25Å; E297-T301 PolarHBondContact O-N 3.34Å; E297-T301 PolarHBondContact O-OG1 3.04Å; E297-M466 HydrophobicContact CB-CB 4.48Å; E297-A467 HydrophobicContact CG-CB 3.92Å
298	Y	98.4	Very high	96.5	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-66.7	-35	172.4	-66.9	-49.8	0	0	0	112.8	D231 I232 L233 M250 I253 I270 I272 N294 G295 L296 T301 G302	D231-Y298 WeakPolarHBondContact CA-OH 3.47Å; D231-Y298 PolarHBondContact OD1-OH 3.4Å; I232-Y298 PolarHBondContact N-OH 2.89Å; L233-Y298 WeakPolarHBondContact CB-OH 3.43Å; L233-Y298 HydrophobicContact CD1-CE1 4.18Å; L233-Y298 HydrophobicContact CD1-CE2 4.23Å; L233-Y298 HydrophobicContact CG-CE1 4.3Å; L233-Y298 WeakPolarHBondContact CG-OH 3.17Å; L233-Y298 PolarHBondContact N-OH 3.01Å; M250-Y298 HydrophobicContact CE-CD1 3.71Å; M250-Y298 HydrophobicContact CE-CE1 3.6Å; M250-Y298 HydrophobicContact SD-CD1 4.47Å; M250-Y298 HydrophobicContact SD-CE1 3.78Å; I253-Y298 HydrophobicContact CD1-CD1 4.3Å; I253-Y298 HydrophobicContact CD1-CE1 3.53Å; I253-Y298 HydrophobicContact CG2-CD1 4.19Å; I253-Y298 HydrophobicContact CG2-CE1 4.43Å; I270-Y298 HydrophobicContact CD1-CD1 3.75Å; I270-Y298 HydrophobicContact CD1-CD2 3.5Å; I270-Y298 HydrophobicContact CD1-CE1 3.86Å; I270-Y298 HydrophobicContact CD1-CE2 3.58Å; I270-Y298 HydrophobicContact CD1-CG 3.59Å; I272-Y298 HydrophobicContact CG1-CD2 4.03Å; I272-Y298 HydrophobicContact CG2-CD2 4.46Å; N294-Y298 HydrophobicContact CB-CD2 4.36Å; N294-Y298 HydrophobicContact CB-CE2 3.99Å; N294-Y298 WeakPolarHBondContact O-CD2 3.29Å; N294-Y298 PolarHBondContact O-N 2.94Å; G295-Y298 PolarHBondContact O-N 3.05Å; L296-Y298 VanDerWaalsContact C-N 3.35Å; Y298-T301 WeakPolarHBondContact O-CB 3.43Å; Y298-T301 PolarHBondContact O-N 3.06Å; Y298-G302 PolarHBondContact O-N 3.21Å
299	C	98.3	Very high	96.4	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-62.8	-46	172.1	-67.8	0	0	0	0	111.4	G295 L296 E297 T301 G302 L303 I309 F312 F348	G295-C299 PolarHBondContact O-N 3.16Å; G295-C299 PolarHBondContact O-SG 3.16Å; L296-C299 WeakPolarHBondContact O-CB 3.39Å; L296-C299 PolarHBondContact O-N 3.31Å; E297-C299 VanDerWaalsContact C-N 3.34Å; C299-T301 PolarHBondContact O-N 2.96Å; C299-G302 PolarHBondContact O-N 3.18Å; C299-L303 WeakPolarHBondContact O-CG 3.44Å; C299-L303 PolarHBondContact O-N 3.23Å; C299-I309 HydrophobicContact CB-CD1 4.1Å; C299-F312 HydrophobicContact CB-CE2 4.45Å; C299-F312 HydrophobicContact CB-CZ 4.28Å; C299-F348 HydrophobicContact CB-CD2 4.29Å; C299-F348 HydrophobicContact CB-CE1 4.12Å; C299-F348 HydrophobicContact CB-CE2 3.64Å; C299-F348 HydrophobicContact CB-CZ 3.53Å
300	R	97.8	Very high	96.3	Very high	76 Å²	76	29.8 Å²	29.8	29%	0.287	17%	0.168	S	C	.	.	H	α-helix	trans	-58	-39.3	173.4	-67.3	174.1	-176.8	124.9	8.4	112.1	L296 E297 L303 K304 F348 E461	L296-R300 WeakPolarHBondContact O-CG 3.36Å; L296-R300 PolarHBondContact O-N 3.2Å; E297-R300 WeakPolarHBondContact O-CB 3.41Å; E297-R300 PolarHBondContact O-N 2.83Å; E297-R300 IonicContact OE2-CZ 3.91Å; E297-R300 IonicContact OE2-NH1 3.63Å; E297-R300 PolarHBondContact OE2-NH1 3.29Å; R300-L303 PolarHBondContact O-N 3.43Å; R300-K304 WeakPolarHBondContact O-CB 3.36Å; R300-K304 PolarHBondContact O-N 3.4Å; R300-F348 HydrophobicContact CG-CE1 4.43Å; R300-F348 HydrophobicContact CG-CZ 4.44Å; R300-E461 IonicContact CZ-OE1 3.69Å; R300-E461 IonicContact CZ-OE2 3.2Å; R300-E461 IonicContact NH1-OE1 2.62Å; R300-E461 PolarHBondContact NH1-OE1 3.35Å; R300-E461 IonicContact NH2-OE1 3.46Å; R300-E461 PolarHBondContact NH2-OE1 3.19Å; R300-E461 IonicContact NH2-OE2 2.8Å; R300-E461 PolarHBondContact NH2-OE2 3.43Å
301	T	95.7	Very high	96	Very high	17 Å²	17	34.8 Å²	34.8	10%	0.104	19%	0.191	C	C	.	.	H	α-helix	trans	-63.7	-46.1	178.4	-59.2	0	0	0	0	111.5	M250 A254 E297 Y298 C299 L303 K304 A305	M250-T301 HydrophobicContact CE-CG2 4.3Å; M250-T301 WeakPolarHBondContact CE-OG1 3.36Å; M250-T301 WeakPolarHBondContact O-CG2 3.28Å; A254-T301 HydrophobicContact CB-CG2 3.86Å; E297-T301 WeakPolarHBondContact O-CB 3.25Å; E297-T301 PolarHBondContact O-N 3.34Å; E297-T301 PolarHBondContact O-OG1 3.04Å; Y298-T301 WeakPolarHBondContact O-CB 3.43Å; Y298-T301 PolarHBondContact O-N 3.06Å; C299-T301 PolarHBondContact O-N 2.96Å; T301-L303 PolarHBondContact O-N 3.32Å; T301-K304 PolarHBondContact O-N 2.86Å; T301-A305 PolarHBondContact O-N 3.26Å
302	G	95.1	Very high	95.7	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-60.2	-42.8	173.9	0	0	0	0	0	112.8	Y298 C299 A305 L307	Y298-G302 PolarHBondContact O-N 3.21Å; C299-G302 PolarHBondContact O-N 3.18Å; G302-A305 WeakPolarHBondContact O-CB 3.44Å; G302-A305 PolarHBondContact O-N 3.02Å; G302-L307 WeakPolarHBondContact O-CB 3.31Å; G302-L307 PolarHBondContact O-N 2.58Å
303	L	96.4	Very high	95.5	Very high	69 Å²	69	35 Å²	35	36%	0.361	19%	0.193	S	C	.	.	H	α-helix	trans	-64.1	-42.4	176.2	-64.5	176.4	0	0	0	112.4	C299 R300 T301 A305 G306 L307 F348	C299-L303 WeakPolarHBondContact O-CG 3.44Å; C299-L303 PolarHBondContact O-N 3.23Å; R300-L303 PolarHBondContact O-N 3.43Å; T301-L303 PolarHBondContact O-N 3.32Å; L303-A305 PolarHBondContact O-N 2.79Å; L303-G306 PolarHBondContact O-N 3.44Å; L303-L307 WeakPolarHBondContact CA-O 3.27Å; L303-L307 VanDerWaalsContact CD2-O 3.25Å; L303-L307 WeakPolarHBondContact CD2-O 3.34Å; L303-F348 HydrophobicContact CD1-CD1 3.57Å; L303-F348 HydrophobicContact CD1-CE1 3.73Å
304	K	91.1	Very high	95.3	Very high	186 Å²	186	35.9 Å²	35.9	81%	0.809	20%	0.198	S	C	*	.	H	α-helix	trans	-63.6	-27.7	176.1	-170.9	-178.9	177.5	-171.6	0	112.1	R300 T301 G306	R300-K304 WeakPolarHBondContact O-CB 3.36Å; R300-K304 PolarHBondContact O-N 3.4Å; T301-K304 PolarHBondContact O-N 2.86Å; K304-G306 PolarHBondContact O-N 3.12Å
305	A	86.9	Confident	95.1	Very high	41 Å²	41	40.1 Å²	40.1	34%	0.339	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	0.9	173.3	0	0	0	0	0	113.7	A254 T301 G302 L303	A254-A305 HydrophobicContact CB-CB 3.85Å; T301-A305 PolarHBondContact O-N 3.26Å; G302-A305 WeakPolarHBondContact O-CB 3.44Å; G302-A305 PolarHBondContact O-N 3.02Å; L303-A305 PolarHBondContact O-N 2.79Å
306	G	91.1	Very high	95	Very high	66 Å²	66	40.2 Å²	40.2	68%	0.68	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.5	6.4	179.3	0	0	0	0	0	114.9	L303 K304	L303-G306 PolarHBondContact O-N 3.44Å; K304-G306 PolarHBondContact O-N 3.12Å
307	L	93.4	Very high	94.9	Very high	21 Å²	21	40.9 Å²	40.9	11%	0.11	22%	0.219	C	C	.	.			trans	-84	147.8	174.2	-55.1	172.9	0	0	0	110.2	F257 G302 L303 F312	F257-L307 HydrophobicContact CB-CD1 3.76Å; G302-L307 WeakPolarHBondContact O-CB 3.31Å; G302-L307 PolarHBondContact O-N 2.58Å; L303-L307 WeakPolarHBondContact CA-O 3.27Å; L303-L307 VanDerWaalsContact CD2-O 3.25Å; L303-L307 WeakPolarHBondContact CD2-O 3.34Å; L307-F312 HydrophobicContact CB-CD1 3.85Å; L307-F312 HydrophobicContact CB-CE1 4.33Å; L307-F312 HydrophobicContact CD1-CB 4.31Å; L307-F312 HydrophobicContact CD1-CD1 4.21Å
308	T	96.1	Very high	94.9	Very high	77 Å²	77	39.4 Å²	39.4	47%	0.472	21%	0.212	S	C	.	.			trans	-80.7	154.8	165.2	65.8	0	0	0	0	110.3	D310 E311 F312	T308-D310 PolarHBondContact O-N 3.4Å; T308-D310 VanDerWaalsContact O-N 3.15Å; T308-E311 WeakPolarHBondContact CB-OE2 3.46Å; T308-E311 PolarHBondContact N-OE2 2.7Å; T308-E311 PolarHBondContact O-N 3.15Å; T308-E311 VanDerWaalsContact OG1-CD 3.27Å; T308-E311 VanDerWaalsContact OG1-CG 3.29Å; T308-E311 WeakPolarHBondContact OG1-CG 3.37Å; T308-E311 PolarHBondContact OG1-OE2 3.06Å; T308-F312 WeakPolarHBondContact O-CD1 3.37Å; T308-F312 WeakPolarHBondContact O-CE1 3.1Å
309	I	97.1	Very high	94.9	Very high	11 Å²	11	39.8 Å²	39.8	6%	0.056	21%	0.214	C	C	.	.	H	α-helix	trans	-54.9	-36.5	179.7	-169.9	63.2	0	0	0	112.4	C299 E311 F312 A313 I344 F348 P350	C299-I309 HydrophobicContact CB-CD1 4.1Å; I309-E311 VanDerWaalsContact C-N 3.32Å; I309-E311 PolarHBondContact O-N 2.79Å; I309-F312 HydrophobicContact CD1-CE1 4.25Å; I309-F312 HydrophobicContact CD1-CE2 4.25Å; I309-F312 HydrophobicContact CD1-CZ 3.69Å; I309-A313 HydrophobicContact CD1-CB 4.05Å; I309-A313 HydrophobicContact CG1-CB 4.11Å; I309-A313 WeakPolarHBondContact O-CB 3.38Å; I309-A313 PolarHBondContact O-N 3.01Å; I309-I344 HydrophobicContact CG1-CG2 4.41Å; I309-F348 HydrophobicContact CB-CB 4.3Å; I309-F348 HydrophobicContact CD1-CB 4.25Å; I309-F348 HydrophobicContact CD1-CD2 4.4Å; I309-F348 HydrophobicContact CD1-CG 4.28Å; I309-F348 HydrophobicContact CG1-CB 3.95Å; I309-P350 HydrophobicContact CG2-CB 3.75Å
310	D	96.6	Very high	95	Very high	27 Å²	27	39.8 Å²	39.8	14%	0.144	21%	0.214	C	C	.	.	H	α-helix	trans	-74.6	-18.5	-177.8	-71.9	-41.3	0	0	0	113.9	T308 P314 P350 K351 L352 S355	T308-D310 PolarHBondContact O-N 3.4Å; T308-D310 VanDerWaalsContact O-N 3.15Å; D310-P314 VanDerWaalsContact O-CD 3.23Å; D310-P314 WeakPolarHBondContact O-CD 3.45Å; D310-P314 WeakPolarHBondContact O-CG 3.46Å; D310-P350 VanDerWaalsContact OD1-CB 3.31Å; D310-P350 WeakPolarHBondContact OD1-CB 3.35Å; D310-K351 PolarHBondContact OD1-N 2.87Å; D310-K351 WeakPolarHBondContact OD2-CA 3.38Å; D310-K351 VanDerWaalsContact OD2-CB 3.31Å; D310-K351 WeakPolarHBondContact OD2-CB 3.31Å; D310-K351 PolarHBondContact OD2-N 3.36Å; D310-L352 HydrophobicContact CB-CD1 3.91Å; D310-L352 HydrophobicContact CB-CG 4.03Å; D310-L352 WeakPolarHBondContact OD1-CB 3.41Å; D310-L352 PolarHBondContact OD1-N 3.21Å; D310-L352 VanDerWaalsContact OD1-N 3.07Å; D310-L352 PolarHBondContact OD2-N 3.24Å; D310-S355 WeakPolarHBondContact OD1-CB 3.27Å; D310-S355 PolarHBondContact OD1-OG 3.49Å
311	E	92.3	Very high	95	Very high	108 Å²	108	36.2 Å²	36.2	51%	0.505	20%	0.2	S	C	.	.	H	α-helix	trans	-76.3	-29.9	178.1	-77.7	166.2	137.6	0	0	112.6	T308 I309	T308-E311 WeakPolarHBondContact CB-OE2 3.46Å; T308-E311 PolarHBondContact N-OE2 2.7Å; T308-E311 PolarHBondContact O-N 3.15Å; T308-E311 VanDerWaalsContact OG1-CD 3.27Å; T308-E311 VanDerWaalsContact OG1-CG 3.29Å; T308-E311 WeakPolarHBondContact OG1-CG 3.37Å; T308-E311 PolarHBondContact OG1-OE2 3.06Å; I309-E311 VanDerWaalsContact C-N 3.32Å; I309-E311 PolarHBondContact O-N 2.79Å
312	F	92.3	Very high	95.2	Very high	4 Å²	4	35.4 Å²	35.4	2%	0.018	20%	0.195	C	C	.	.	H	α-helix	trans	-123	-27.6	-175.6	73.5	-89.1	0	0	0	115	C299 L307 T308 I309 P314 R315 L316	C299-F312 HydrophobicContact CB-CE2 4.45Å; C299-F312 HydrophobicContact CB-CZ 4.28Å; L307-F312 HydrophobicContact CB-CD1 3.85Å; L307-F312 HydrophobicContact CB-CE1 4.33Å; L307-F312 HydrophobicContact CD1-CB 4.31Å; L307-F312 HydrophobicContact CD1-CD1 4.21Å; T308-F312 WeakPolarHBondContact O-CD1 3.37Å; T308-F312 WeakPolarHBondContact O-CE1 3.1Å; I309-F312 HydrophobicContact CD1-CE1 4.25Å; I309-F312 HydrophobicContact CD1-CE2 4.25Å; I309-F312 HydrophobicContact CD1-CZ 3.69Å; F312-P314 VanDerWaalsContact C-CD 3.42Å; F312-P314 VanDerWaalsContact C-N 3.3Å; F312-R315 WeakPolarHBondContact O-CA 3.37Å; F312-R315 WeakPolarHBondContact O-CB 3.23Å; F312-R315 PolarHBondContact O-N 3.13Å; F312-L316 HydrophobicContact CD2-CD1 4.23Å; F312-L316 HydrophobicContact CD2-CD2 4.08Å; F312-L316 HydrophobicContact CD2-CG 4.2Å; F312-L316 HydrophobicContact CE2-CD1 4.07Å; F312-L316 HydrophobicContact CE2-CD2 4.46Å; F312-L316 PolarHBondContact O-N 3.43Å
313	A	94.3	Very high	95.3	Very high	2 Å²	2	35.6 Å²	35.6	2%	0.017	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-56	-35.8	178.1	0	0	0	0	0	114	I309 R315 L316 R359	I309-A313 HydrophobicContact CD1-CB 4.05Å; I309-A313 HydrophobicContact CG1-CB 4.11Å; I309-A313 WeakPolarHBondContact O-CB 3.38Å; I309-A313 PolarHBondContact O-N 3.01Å; A313-R315 PolarHBondContact O-N 2.91Å; A313-L316 HydrophobicContact CB-CD1 4.34Å; A313-L316 PolarHBondContact O-N 2.76Å; A313-L316 VanDerWaalsContact O-N 3.13Å; A313-R359 PolarHBondContact O-NH2 2.89Å
314	P	95	Very high	95.5	Very high	17 Å²	17	35.9 Å²	35.9	11%	0.11	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-63	-5.3	172.1	-25.2	37	0	0	0	115.5	D310 F312 K354 R359	D310-P314 VanDerWaalsContact O-CD 3.23Å; D310-P314 WeakPolarHBondContact O-CD 3.45Å; D310-P314 WeakPolarHBondContact O-CG 3.46Å; F312-P314 VanDerWaalsContact C-CD 3.42Å; F312-P314 VanDerWaalsContact C-N 3.3Å; P314-K354 HydrophobicContact CG-CB 4.49Å; P314-R359 PolarHBondContact O-NH1 2.99Å; P314-R359 PolarHBondContact O-NH2 2.85Å
315	R	93.6	Very high	95.8	Very high	90 Å²	90	28.6 Å²	28.6	34%	0.34	17%	0.168	S	C	.	.	G	3₁₀ helix	trans	-116.8	-3.5	176.5	-59.3	-63.4	158.7	-135.3	11.8	114.3	P265 F267 N268 F312 A313	P265-R315 PolarHBondContact O-NE 3.32Å; P265-R315 PolarHBondContact O-NH2 3.33Å; F267-R315 WeakPolarHBondContact O-CD 3.39Å; N268-R315 WeakPolarHBondContact CA-O 3.29Å; N268-R315 WeakPolarHBondContact CB-O 3.28Å; F312-R315 WeakPolarHBondContact O-CA 3.37Å; F312-R315 WeakPolarHBondContact O-CB 3.23Å; F312-R315 PolarHBondContact O-N 3.13Å; A313-R315 PolarHBondContact O-N 2.91Å
316	L	96.3	Very high	96.4	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.01	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	137.4	167.8	-59.8	178.8	0	0	0	109.5	F257 I270 I272 F312 A313 W340 R359	F257-L316 HydrophobicContact CZ-CD2 4.38Å; I270-L316 HydrophobicContact CG2-CD2 3.19Å; I270-L316 HydrophobicContact CG2-CG 4.48Å; I272-L316 HydrophobicContact CD1-CB 4.38Å; I272-L316 HydrophobicContact CD1-CD1 4.49Å; I272-L316 HydrophobicContact CD1-CD2 4.44Å; F312-L316 HydrophobicContact CD2-CD1 4.23Å; F312-L316 HydrophobicContact CD2-CD2 4.08Å; F312-L316 HydrophobicContact CD2-CG 4.2Å; F312-L316 HydrophobicContact CE2-CD1 4.07Å; F312-L316 HydrophobicContact CE2-CD2 4.46Å; F312-L316 PolarHBondContact O-N 3.43Å; A313-L316 HydrophobicContact CB-CD1 4.34Å; A313-L316 PolarHBondContact O-N 2.76Å; A313-L316 VanDerWaalsContact O-N 3.13Å; L316-W340 HydrophobicContact CD1-CH2 4.01Å; L316-W340 HydrophobicContact CD1-CZ2 3.86Å; L316-R359 PolarHBondContact O-NH2 2.9Å
317	S	97	Very high	96.8	Very high	13 Å²	13	30 Å²	30	9%	0.091	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	163.1	171.7	64.1	0	0	0	0	109.6	I270 S271 I272 R359	I270-S317 PolarHBondContact O-N 3.19Å; I270-S317 PolarHBondContact O-OG 2.84Å; S271-S317 CarbonylContact C-O 3.53Å; S271-S317 WeakPolarHBondContact CA-O 3.45Å; I272-S317 PolarHBondContact N-O 3.47Å; S317-R359 CarbonylContact C-O 3.58Å; S317-R359 WeakPolarHBondContact CA-O 3.37Å
318	F	98.8	Very high	97	Very high	1 Å²	1	29 Å²	29	0%	0.004	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	160.9	-177.7	-74.9	-101.6	0	0	0	110.8	I272 T291 I292 W320 W340 L358 R359 T360 H361	I272-F318 HydrophobicContact CB-CD1 3.89Å; I272-F318 HydrophobicContact CB-CE1 3.88Å; I272-F318 HydrophobicContact CB-CG 4.37Å; I272-F318 HydrophobicContact CB-CZ 4.35Å; I272-F318 HydrophobicContact CD1-CE1 3.99Å; I272-F318 HydrophobicContact CD1-CE2 3.91Å; I272-F318 HydrophobicContact CD1-CZ 3.61Å; I272-F318 HydrophobicContact CG2-CD1 4.17Å; I272-F318 HydrophobicContact CG2-CE1 3.87Å; I272-F318 CarbonylContact O-C 3.55Å; I272-F318 VanDerWaalsContact O-CA 3.23Å; I272-F318 WeakPolarHBondContact O-CA 3.5Å; T291-F318 HydrophobicContact CG2-CD1 3.88Å; T291-F318 HydrophobicContact CG2-CE1 4.23Å; I292-F318 HydrophobicContact CD1-CE1 3.88Å; I292-F318 HydrophobicContact CD1-CZ 4.3Å; F318-W320 HydrophobicContact CD1-CZ2 4.14Å; F318-W340 HydrophobicContact CE1-CE3 4.41Å; F318-W340 HydrophobicContact CE2-CD2 4.06Å; F318-W340 AromaticContact CE2-CE2 3.91Å; F318-W340 HydrophobicContact CE2-CE3 4.35Å; F318-W340 HydrophobicContact CE2-CH2 4.3Å; F318-W340 HydrophobicContact CE2-CZ2 4.04Å; F318-W340 HydrophobicContact CE2-CZ3 4.48Å; F318-W340 AromaticContact CZ-CD2 3.72Å; F318-W340 HydrophobicContact CZ-CD2 3.72Å; F318-W340 AromaticContact CZ-CE2 3.94Å; F318-W340 AromaticContact CZ-CE3 3.57Å; F318-W340 HydrophobicContact CZ-CE3 3.57Å; F318-W340 HydrophobicContact CZ-CG 4.43Å; F318-W340 AromaticContact CZ-CH2 3.84Å; F318-W340 HydrophobicContact CZ-CH2 3.84Å; F318-W340 HydrophobicContact CZ-CZ2 4.01Å; F318-W340 AromaticContact CZ-CZ3 3.65Å; F318-W340 HydrophobicContact CZ-CZ3 3.65Å; F318-L358 HydrophobicContact CB-CD2 4.11Å; F318-L358 HydrophobicContact CB-CG 4.2Å; F318-L358 HydrophobicContact CD1-CD1 3.9Å; F318-L358 HydrophobicContact CD1-CG 4.28Å; F318-L358 HydrophobicContact CD2-CB 4.38Å; F318-L358 HydrophobicContact CD2-CD1 3.94Å; F318-L358 HydrophobicContact CD2-CD2 4.28Å; F318-L358 HydrophobicContact CD2-CG 3.49Å; F318-L358 VanDerWaalsContact CD2-CG 3.49Å; F318-L358 HydrophobicContact CE1-CD1 4Å; F318-L358 HydrophobicContact CE2-CB 4.43Å; F318-L358 HydrophobicContact CE2-CD1 4.01Å; F318-L358 HydrophobicContact CE2-CG 3.84Å; F318-L358 HydrophobicContact CG-CD1 3.86Å; F318-L358 HydrophobicContact CG-CD2 4.18Å; F318-L358 HydrophobicContact CG-CG 3.72Å; F318-L358 HydrophobicContact CZ-CD1 4.04Å; F318-L358 HydrophobicContact CZ-CG 4.39Å; F318-R359 PolarHBondContact N-O 3.07Å; F318-T360 CarbonylContact O-C 3.48Å; F318-T360 VanDerWaalsContact O-CA 3.28Å; F318-T360 WeakPolarHBondContact O-CA 3.45Å; F318-T360 PolarHBondContact O-OG1 3.29Å; F318-H361 PolarHBondContact O-N 3.04Å
319	F	98.7	Very high	97.2	Very high	7 Å²	7	25.6 Å²	25.6	3%	0.031	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	108.1	178.5	175.6	-152.5	0	0	0	111.8	S271 I272 S273 G274 Y275 H276 H361 Q363	S271-F319 WeakPolarHBondContact OG-CB 3.27Å; I272-F319 PolarHBondContact O-N 3.32Å; S273-F319 CarbonylContact C-O 3.35Å; S273-F319 WeakPolarHBondContact CA-O 3.36Å; G274-F319 PolarHBondContact N-O 2.92Å; Y275-F319 AromaticContact CD1-CE1 3.82Å; Y275-F319 HydrophobicContact CD1-CE1 3.82Å; Y275-F319 AromaticContact CD1-CZ 3.69Å; Y275-F319 HydrophobicContact CD1-CZ 3.69Å; Y275-F319 HydrophobicContact CD2-CE2 4.26Å; Y275-F319 AromaticContact CD2-CZ 3.98Å; Y275-F319 HydrophobicContact CD2-CZ 3.98Å; Y275-F319 HydrophobicContact CE1-CZ 4.43Å; Y275-F319 AromaticContact CG-CE1 3.83Å; Y275-F319 HydrophobicContact CG-CE1 3.83Å; Y275-F319 AromaticContact CG-CE2 3.99Å; Y275-F319 HydrophobicContact CG-CE2 3.99Å; Y275-F319 AromaticContact CG-CZ 3.43Å; Y275-F319 HydrophobicContact CG-CZ 3.43Å; Y275-F319 VanDerWaalsContact CG-CZ 3.43Å; Y275-F319 PolarHBondContact N-O 2.52Å; Y275-F319 VanDerWaalsContact N-O 3.1Å; H276-F319 AromaticContact CE1-CD1 3.97Å; H276-F319 AromaticContact CE1-CE1 3.77Å; F319-H361 WeakPolarHBondContact CA-O 3.22Å; F319-H361 HydrophobicContact CD2-CB 4.07Å; F319-H361 AromaticContact CD2-CD2 3.4Å; F319-H361 WeakPolarHBondContact CD2-CD2 3.46Å; F319-H361 AromaticContact CD2-CG 3.95Å; F319-H361 AromaticContact CE2-CD2 3.42Å; F319-H361 VanDerWaalsContact CE2-CD2 3.42Å; F319-H361 WeakPolarHBondContact CE2-CD2 3.38Å; F319-H361 AromaticContact CE2-NE2 3.93Å; F319-Q363 HydrophobicContact CE2-CB 3.45Å; F319-Q363 VanDerWaalsContact CE2-CB 3.45Å; F319-Q363 HydrophobicContact CZ-CB 3.68Å
320	W	98.9	Very high	97.2	Very high	1 Å²	1	25 Å²	25	0%	0.004	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	148.4	180	-56.8	115.9	0	0	0	112	E287 V288 T291 F318 L333 L358 T360 H361 C362 Q363	E287-W320 HydrophobicContact CG-CE3 3.94Å; E287-W320 HydrophobicContact CG-CZ3 4.02Å; V288-W320 HydrophobicContact CG2-CH2 4.36Å; V288-W320 HydrophobicContact CG2-CZ3 4.36Å; T291-W320 VanDerWaalsContact CB-CZ3 3.43Å; T291-W320 HydrophobicContact CG2-CE3 4.37Å; T291-W320 HydrophobicContact CG2-CH2 3.59Å; T291-W320 HydrophobicContact CG2-CZ2 4.3Å; T291-W320 HydrophobicContact CG2-CZ3 3.63Å; T291-W320 WeakPolarHBondContact OG1-CZ3 3.39Å; F318-W320 HydrophobicContact CD1-CZ2 4.14Å; W320-L333 HydrophobicContact CB-CD1 4.36Å; W320-L333 HydrophobicContact CG-CD1 4.31Å; W320-L358 HydrophobicContact CZ2-CD1 4.17Å; W320-T360 PolarHBondContact NE1-OG1 2.75Å; W320-H361 PolarHBondContact N-O 3.2Å; W320-C362 VanDerWaalsContact O-CA 3.31Å; W320-C362 WeakPolarHBondContact O-CA 3.38Å; W320-Q363 PolarHBondContact O-N 3.33Å; W320-Q363 VanDerWaalsContact O-N 3.08Å
321	G	98.7	Very high	97.4	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	163.3	158.9	0	0	0	0	0	111	Y275 Q278 E287 K332 Q363	Y275-G321 VanDerWaalsContact CA-N 3.33Å; Q278-G321 PolarHBondContact OE1-O 3.18Å; E287-G321 PolarHBondContact OE1-N 2.86Å; G321-K332 PolarHBondContact O-NZ 2.78Å; G321-Q363 CarbonylContact C-O 3.46Å; G321-Q363 WeakPolarHBondContact CA-O 3.36Å
322	I	98.9	Very high	97.7	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	105.4	176.2	-54.4	-72.4	0	0	0	107.5	E329 L333 C362 Q363 T364 S365 E384 A387 A388	I322-E329 HydrophobicContact CD1-CB 4.34Å; I322-E329 HydrophobicContact CG2-CB 4.04Å; I322-E329 HydrophobicContact CG2-CG 4.01Å; I322-L333 HydrophobicContact CD1-CD1 3.56Å; I322-L333 HydrophobicContact CD1-CD2 4.37Å; I322-C362 HydrophobicContact CD1-CB 4.33Å; I322-C362 HydrophobicContact CG1-CB 3.79Å; I322-Q363 PolarHBondContact N-O 3.43Å; I322-T364 CarbonylContact O-C 3.48Å; I322-S365 PolarHBondContact O-N 3.26Å; I322-E384 HydrophobicContact CG2-CB 4.09Å; I322-E384 WeakPolarHBondContact CG2-O 3.4Å; I322-E384 WeakPolarHBondContact O-CG 3.4Å; I322-A387 HydrophobicContact CG2-CB 3.81Å; I322-A388 HydrophobicContact CD1-CB 4.24Å; I322-A388 HydrophobicContact CG1-CB 3.89Å
323	G	98.7	Very high	98	Very high	5 Å²	5	18.4 Å²	18.4	5%	0.052	9%	0.085	C	C	.	.			trans	-95.8	-169.7	177	0	0	0	0	0	113.3	N325 E329	G323-N325 VanDerWaalsContact C-N 3.31Å; G323-N325 PolarHBondContact O-N 2.82Å; G323-E329 PolarHBondContact N-OE1 3.34Å
324	M	98.8	Very high	98.2	Very high	75 Å²	75	18.3 Å²	18.3	37%	0.369	8%	0.084	S	C	.	.	S	Bend	trans	-73.5	-12.1	-171.1	-69.6	-61.6	-61.4	0	0	115.5	F326 R380 I383 E384	M324-F326 VanDerWaalsContact C-N 3.25Å; M324-F326 PolarHBondContact O-N 2.8Å; M324-R380 HydrophobicContact CE-CB 4.38Å; M324-R380 HydrophobicContact CE-CG 4.1Å; M324-R380 HydrophobicContact SD-CB 3.65Å; M324-R380 HydrophobicContact SD-CG 3.84Å; M324-I383 HydrophobicContact CE-CD1 3.99Å; M324-I383 HydrophobicContact CE-CG2 4.39Å; M324-E384 HydrophobicContact SD-CG 3.96Å
325	N	98.7	Very high	98.4	Very high	32 Å²	32	17.5 Å²	17.5	17%	0.171	8%	0.079	C	C	.	.			trans	-79.3	76.4	176.6	-169.2	-14.9	0	0	0	110.7	W72 G323 Y327 M328 E329	W72-N325 WeakPolarHBondContact CH2-ND2 3.33Å; W72-N325 WeakPolarHBondContact CH2-OD1 3.48Å; G323-N325 VanDerWaalsContact C-N 3.31Å; G323-N325 PolarHBondContact O-N 2.82Å; N325-Y327 VanDerWaalsContact C-N 3.33Å; N325-Y327 PolarHBondContact O-N 3.23Å; N325-Y327 VanDerWaalsContact O-N 3.17Å; N325-M328 HydrophobicContact CB-CB 3.97Å; N325-M328 WeakPolarHBondContact ND2-CB 3.13Å; N325-M328 PolarHBondContact O-N 2.97Å; N325-M328 VanDerWaalsContact O-N 3.08Å; N325-M328 WeakPolarHBondContact OD1-CB 3.18Å; N325-M328 PolarHBondContact OD1-N 3.44Å; N325-E329 WeakPolarHBondContact O-CG 3.22Å; N325-E329 PolarHBondContact O-N 3.29Å
326	F	98.9	Very high	98.6	Very high	39 Å²	39	13.2 Å²	13.2	17%	0.171	6%	0.062	C	C	.	.	H	α-helix	trans	-47.6	-47.5	-170.9	-179.7	-92.2	0	0	0	114.5	M324 I330 I383 M386 A387 F390 W436	M324-F326 VanDerWaalsContact C-N 3.25Å; M324-F326 PolarHBondContact O-N 2.8Å; F326-I330 HydrophobicContact CD1-CD1 3.75Å; F326-I330 HydrophobicContact CE1-CD1 3.32Å; F326-I330 HydrophobicContact CE2-CD1 4.25Å; F326-I330 HydrophobicContact CG-CD1 4.38Å; F326-I330 HydrophobicContact CZ-CD1 3.63Å; F326-I330 WeakPolarHBondContact O-CG1 3.47Å; F326-I330 PolarHBondContact O-N 3.29Å; F326-I383 HydrophobicContact CB-CG2 4.36Å; F326-I383 HydrophobicContact CD2-CG2 3.99Å; F326-M386 HydrophobicContact CE2-CB 3.87Å; F326-A387 HydrophobicContact CD2-CB 3.71Å; F326-A387 HydrophobicContact CE2-CB 4.09Å; F326-A387 HydrophobicContact CG-CB 4.37Å; F326-F390 HydrophobicContact CE1-CD2 4.45Å; F326-F390 AromaticContact CE2-CD2 3.98Å; F326-F390 HydrophobicContact CE2-CD2 3.98Å; F326-F390 HydrophobicContact CE2-CE2 4.32Å; F326-F390 AromaticContact CZ-CD2 3.45Å; F326-F390 HydrophobicContact CZ-CD2 3.45Å; F326-F390 VanDerWaalsContact CZ-CD2 3.45Å; F326-F390 AromaticContact CZ-CE2 3.72Å; F326-F390 HydrophobicContact CZ-CE2 3.72Å; F326-W436 AromaticContact CE1-CZ2 3.89Å; F326-W436 HydrophobicContact CE1-CZ2 3.89Å; F326-W436 HydrophobicContact CZ-CZ2 4.48Å
327	Y	98.9	Very high	98.8	Very high	97 Å²	97	13.3 Å²	13.3	38%	0.38	6%	0.063	S	C	.	.	H	α-helix	trans	-70.8	-41.6	-178.5	-58.7	-52.8	0	0	0	112.5	N325 E329 I330 A331 W436 M441 M442	N325-Y327 VanDerWaalsContact C-N 3.33Å; N325-Y327 PolarHBondContact O-N 3.23Å; N325-Y327 VanDerWaalsContact O-N 3.17Å; Y327-E329 VanDerWaalsContact C-N 3.3Å; Y327-E329 PolarHBondContact O-N 3Å; Y327-I330 PolarHBondContact O-N 2.99Å; Y327-A331 WeakPolarHBondContact O-CB 3.4Å; Y327-A331 PolarHBondContact O-N 3.38Å; Y327-W436 AromaticContact CE1-CH2 3.9Å; Y327-W436 HydrophobicContact CE1-CH2 3.9Å; Y327-W436 HydrophobicContact CE1-CZ2 4.46Å; Y327-W436 HydrophobicContact CE1-CZ3 4.43Å; Y327-M441 HydrophobicContact CD1-CE 3.42Å; Y327-M441 VanDerWaalsContact CD1-CE 3.42Å; Y327-M441 HydrophobicContact CD2-CE 3.99Å; Y327-M441 HydrophobicContact CE1-CE 3.71Å; Y327-M441 HydrophobicContact CE2-CE 4.24Å; Y327-M441 HydrophobicContact CG-CE 3.57Å; Y327-M441 HydrophobicContact CG-SD 4.4Å; Y327-M442 HydrophobicContact CD1-CE 3.98Å
328	M	98.9	Very high	98.9	Very high	1 Å²	1	13.9 Å²	13.9	1%	0.005	6%	0.063	C	C	.	.	H	α-helix	trans	-61.4	-42	178.3	-170.4	62.7	69.2	0	0	110.9	T74 E76 L78 I80 A284 N325 A331 K332 L445 V449	T74-M328 HydrophobicContact CG2-CE 4.28Å; E76-M328 HydrophobicContact CB-CE 4.33Å; E76-M328 HydrophobicContact CG-CE 3.99Å; E76-M328 HydrophobicContact CG-CG 4.38Å; E76-M328 HydrophobicContact CG-SD 4.22Å; L78-M328 HydrophobicContact CD1-CE 3.97Å; L78-M328 HydrophobicContact CD1-SD 4.25Å; I80-M328 HydrophobicContact CD1-CE 4.33Å; A284-M328 HydrophobicContact CB-CG 3.57Å; A284-M328 HydrophobicContact CB-SD 4.33Å; N325-M328 HydrophobicContact CB-CB 3.97Å; N325-M328 WeakPolarHBondContact ND2-CB 3.13Å; N325-M328 PolarHBondContact O-N 2.97Å; N325-M328 VanDerWaalsContact O-N 3.08Å; N325-M328 WeakPolarHBondContact OD1-CB 3.18Å; N325-M328 PolarHBondContact OD1-N 3.44Å; M328-A331 PolarHBondContact O-N 2.95Å; M328-K332 VanDerWaalsContact O-CB 3.26Å; M328-K332 WeakPolarHBondContact O-CB 3.34Å; M328-K332 PolarHBondContact O-N 3.5Å; M328-L445 HydrophobicContact CE-CD1 3.9Å; M328-L445 HydrophobicContact SD-CD1 4.16Å; M328-V449 HydrophobicContact SD-CG2 3.55Å; M328-V449 VanDerWaalsContact SD-CG2 3.55Å
329	E	98.9	Very high	98.9	Very high	5 Å²	5	13.9 Å²	13.9	2%	0.023	6%	0.063	C	C	.	.	H	α-helix	trans	-66.7	-38.8	-179.7	-63.1	-65	-173.3	0	0	112.8	Q278 I322 G323 N325 Y327 K332 L333 A387	Q278-E329 PolarHBondContact NE2-OE1 3.43Å; I322-E329 HydrophobicContact CD1-CB 4.34Å; I322-E329 HydrophobicContact CG2-CB 4.04Å; I322-E329 HydrophobicContact CG2-CG 4.01Å; G323-E329 PolarHBondContact N-OE1 3.34Å; N325-E329 WeakPolarHBondContact O-CG 3.22Å; N325-E329 PolarHBondContact O-N 3.29Å; Y327-E329 VanDerWaalsContact C-N 3.3Å; Y327-E329 PolarHBondContact O-N 3Å; E329-K332 WeakPolarHBondContact O-CB 3.47Å; E329-K332 PolarHBondContact O-N 3.22Å; E329-K332 IonicContact OE1-NZ 2.55Å; E329-K332 WeakPolarHBondContact OE2-CD 3.46Å; E329-K332 WeakPolarHBondContact OE2-CE 3.49Å; E329-K332 IonicContact OE2-NZ 3.63Å; E329-K332 PolarHBondContact OE2-NZ 3.48Å; E329-L333 VanDerWaalsContact O-CD1 3.28Å; E329-L333 WeakPolarHBondContact O-CD1 3.19Å; E329-L333 PolarHBondContact O-N 3.03Å; E329-A387 HydrophobicContact CB-CB 4.07Å
330	I	98.9	Very high	98.9	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-63	-47.9	173.5	-64.3	166.2	0	0	0	110	F326 Y327 K332 L333 R334 A387 F390 M442	F326-I330 HydrophobicContact CD1-CD1 3.75Å; F326-I330 HydrophobicContact CE1-CD1 3.32Å; F326-I330 HydrophobicContact CE2-CD1 4.25Å; F326-I330 HydrophobicContact CG-CD1 4.38Å; F326-I330 HydrophobicContact CZ-CD1 3.63Å; F326-I330 WeakPolarHBondContact O-CG1 3.47Å; F326-I330 PolarHBondContact O-N 3.29Å; Y327-I330 PolarHBondContact O-N 2.99Å; I330-K332 VanDerWaalsContact C-N 3.32Å; I330-K332 PolarHBondContact O-N 3.3Å; I330-L333 PolarHBondContact O-N 2.79Å; I330-R334 VanDerWaalsContact O-CG 3.3Å; I330-R334 WeakPolarHBondContact O-CG 3.33Å; I330-R334 PolarHBondContact O-N 2.88Å; I330-A387 HydrophobicContact CG1-CB 4.24Å; I330-F390 HydrophobicContact CD1-CB 3.7Å; I330-F390 HydrophobicContact CD1-CD2 4.27Å; I330-F390 HydrophobicContact CD1-CG 4.35Å; I330-F390 HydrophobicContact CG1-CB 3.86Å; I330-F390 HydrophobicContact CG2-CB 4.48Å; I330-M442 HydrophobicContact CB-CE 3.82Å; I330-M442 HydrophobicContact CB-SD 3.93Å; I330-M442 HydrophobicContact CD1-CE 4.09Å; I330-M442 HydrophobicContact CG2-CE 3.74Å; I330-M442 HydrophobicContact CG2-CG 4.28Å; I330-M442 HydrophobicContact CG2-SD 3.61Å
331	A	98.9	Very high	98.9	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-61	-40.4	177.6	0	0	0	0	0	111.9	Y327 M328 L333 R334 A335 M442 L445 V449	Y327-A331 WeakPolarHBondContact O-CB 3.4Å; Y327-A331 PolarHBondContact O-N 3.38Å; M328-A331 PolarHBondContact O-N 2.95Å; A331-L333 PolarHBondContact O-N 3.3Å; A331-R334 PolarHBondContact O-N 2.79Å; A331-A335 WeakPolarHBondContact O-CB 3.31Å; A331-A335 PolarHBondContact O-N 3.21Å; A331-M442 HydrophobicContact CB-SD 4.03Å; A331-L445 HydrophobicContact CB-CB 4.2Å; A331-L445 HydrophobicContact CB-CD2 3.89Å; A331-L445 HydrophobicContact CB-CG 3.65Å; A331-V449 HydrophobicContact CB-CG2 4.23Å
332	K	98.9	Very high	98.9	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-54.2	-51.5	176.7	-167.9	-173.5	75.5	-171.6	0	112.1	A284 E287 V288 G321 M328 E329 I330 R334 G336	A284-K332 HydrophobicContact CB-CD 4.01Å; A284-K332 HydrophobicContact CB-CG 4.39Å; E287-K332 VanDerWaalsContact CD-NZ 3.28Å; E287-K332 IonicContact OE1-NZ 3.99Å; E287-K332 PolarHBondContact OE1-NZ 3.4Å; E287-K332 WeakPolarHBondContact OE2-CD 3.44Å; E287-K332 IonicContact OE2-NZ 3.59Å; E287-K332 PolarHBondContact OE2-NZ 3.25Å; V288-K332 HydrophobicContact CG2-CB 4.42Å; V288-K332 HydrophobicContact CG2-CD 3.97Å; V288-K332 HydrophobicContact CG2-CG 3.2Å; G321-K332 PolarHBondContact O-NZ 2.78Å; M328-K332 VanDerWaalsContact O-CB 3.26Å; M328-K332 WeakPolarHBondContact O-CB 3.34Å; M328-K332 PolarHBondContact O-N 3.5Å; E329-K332 WeakPolarHBondContact O-CB 3.47Å; E329-K332 PolarHBondContact O-N 3.22Å; E329-K332 IonicContact OE1-NZ 2.55Å; E329-K332 WeakPolarHBondContact OE2-CD 3.46Å; E329-K332 WeakPolarHBondContact OE2-CE 3.49Å; E329-K332 IonicContact OE2-NZ 3.63Å; E329-K332 PolarHBondContact OE2-NZ 3.48Å; I330-K332 VanDerWaalsContact C-N 3.32Å; I330-K332 PolarHBondContact O-N 3.3Å; K332-R334 PolarHBondContact O-N 2.84Å; K332-G336 PolarHBondContact O-N 3.41Å
333	L	98.9	Very high	98.9	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-66.2	-39.2	-178.6	-90.8	66.5	0	0	0	112	W320 I322 E329 I330 A331 R337 G391	W320-L333 HydrophobicContact CB-CD1 4.36Å; W320-L333 HydrophobicContact CG-CD1 4.31Å; I322-L333 HydrophobicContact CD1-CD1 3.56Å; I322-L333 HydrophobicContact CD1-CD2 4.37Å; E329-L333 VanDerWaalsContact O-CD1 3.28Å; E329-L333 WeakPolarHBondContact O-CD1 3.19Å; E329-L333 PolarHBondContact O-N 3.03Å; I330-L333 PolarHBondContact O-N 2.79Å; A331-L333 PolarHBondContact O-N 3.3Å; L333-R337 PolarHBondContact O-N 3.2Å; L333-R337 PolarHBondContact O-NH1 3.02Å; L333-G391 WeakPolarHBondContact CB-O 3.39Å
334	R	98.9	Very high	98.9	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-66.2	-50.2	177.3	-66.2	171.4	89.7	-117.4	-0	111.2	T103 I330 A331 K332 R337 R338 D434 M442 E443 T446	T103-R334 HydrophobicContact CG2-CB 3.91Å; I330-R334 VanDerWaalsContact O-CG 3.3Å; I330-R334 WeakPolarHBondContact O-CG 3.33Å; I330-R334 PolarHBondContact O-N 2.88Å; A331-R334 PolarHBondContact O-N 2.79Å; K332-R334 PolarHBondContact O-N 2.84Å; R334-R337 PolarHBondContact O-N 2.95Å; R334-R338 PolarHBondContact O-N 3.07Å; R334-D434 IonicContact CZ-OD2 2.97Å; R334-D434 IonicContact NE-OD1 3.84Å; R334-D434 PolarHBondContact NE-OD1 3.34Å; R334-D434 IonicContact NE-OD2 2.8Å; R334-D434 IonicContact NH2-OD2 3.32Å; R334-D434 PolarHBondContact NH2-OD2 2.61Å; R334-M442 PolarHBondContact NH1-O 2.95Å; R334-E443 IonicContact CZ-OE1 3.19Å; R334-E443 IonicContact CZ-OE2 3.93Å; R334-E443 IonicContact NH1-OE1 2.76Å; R334-E443 IonicContact NH1-OE2 2.87Å; R334-E443 PolarHBondContact NH1-OE2 3.46Å; R334-E443 IonicContact NH2-OE1 3.42Å; R334-E443 PolarHBondContact NH2-OE1 3.16Å; R334-E443 IonicContact NH2-OE2 3.84Å; R334-E443 PolarHBondContact NH2-OE2 2.8Å; R334-T446 HydrophobicContact CB-CG2 3.74Å; R334-T446 PolarHBondContact NH1-OG1 3.2Å
335	A	98.9	Very high	98.8	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-62.9	-44.1	179.1	0	0	0	0	0	111.6	A331 R337 R338 L339 T446 V449	A331-A335 WeakPolarHBondContact O-CB 3.31Å; A331-A335 PolarHBondContact O-N 3.21Å; A335-R337 VanDerWaalsContact C-N 3.32Å; A335-R337 PolarHBondContact O-N 3.46Å; A335-R338 PolarHBondContact O-N 3.29Å; A335-L339 WeakPolarHBondContact O-CB 3.43Å; A335-L339 PolarHBondContact O-N 3.31Å; A335-T446 HydrophobicContact CB-CG2 4.09Å; A335-T446 WeakPolarHBondContact CB-O 3.43Å; A335-V449 HydrophobicContact CB-CB 4.03Å; A335-V449 HydrophobicContact CB-CG1 3.67Å
336	G	98.9	Very high	98.8	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-57.4	-41.5	178.5	0	0	0	0	0	112.8	K332 W340	K332-G336 PolarHBondContact O-N 3.41Å; G336-W340 WeakPolarHBondContact O-CB 3.33Å; G336-W340 PolarHBondContact O-N 3.09Å
337	R	98.9	Very high	98.7	Very high	3 Å²	3	24.6 Å²	24.6	1%	0.011	11%	0.109	C	C	.	.	H	α-helix	trans	-62.6	-49.6	175.1	-74.1	-173.3	-68.8	-88.6	5	112.5	Y102 T103 L333 R334 A335 L339 W340 A341 L358 G391	Y102-R337 WeakPolarHBondContact O-CB 3.44Å; Y102-R337 VanDerWaalsContact O-CD 3.27Å; Y102-R337 WeakPolarHBondContact O-CD 3.1Å; Y102-R337 PolarHBondContact O-NE 3.05Å; Y102-R337 VanDerWaalsContact O-NE 3.09Å; T103-R337 PolarHBondContact O-NE 3.27Å; T103-R337 VanDerWaalsContact O-NE 3.13Å; T103-R337 PolarHBondContact O-NH2 3.39Å; L333-R337 PolarHBondContact O-N 3.2Å; L333-R337 PolarHBondContact O-NH1 3.02Å; R334-R337 PolarHBondContact O-N 2.95Å; A335-R337 VanDerWaalsContact C-N 3.32Å; A335-R337 PolarHBondContact O-N 3.46Å; R337-L339 VanDerWaalsContact C-N 3.31Å; R337-L339 PolarHBondContact O-N 3.13Å; R337-W340 PolarHBondContact O-N 3.38Å; R337-A341 WeakPolarHBondContact O-CB 3.31Å; R337-A341 PolarHBondContact O-N 2.95Å; R337-L358 HydrophobicContact CG-CB 4.09Å; R337-L358 HydrophobicContact CG-CD2 4.04Å; R337-G391 PolarHBondContact NH1-O 3.06Å; R337-G391 PolarHBondContact NH2-O 3.1Å
338	R	98.9	Very high	98.7	Very high	26 Å²	26	21.3 Å²	21.3	10%	0.098	10%	0.096	C	C	.	.	H	α-helix	trans	-58.1	-48.4	178.8	-175.2	-173.3	-71.7	168.9	-7.2	110.6	E95 P101 T103 R334 A335 A341 M342 D447 Y450	E95-R338 IonicContact OE1-CZ 3.41Å; E95-R338 IonicContact OE1-NE 3.19Å; E95-R338 IonicContact OE1-NH2 2.79Å; E95-R338 PolarHBondContact OE1-NH2 2.98Å; P101-R338 HydrophobicContact CB-CG 3.92Å; P101-R338 HydrophobicContact CG-CG 3.91Å; P101-R338 WeakPolarHBondContact O-CA 3.23Å; T103-R338 PolarHBondContact OG1-NE 2.9Å; T103-R338 PolarHBondContact OG1-NH2 2.76Å; R334-R338 PolarHBondContact O-N 3.07Å; A335-R338 PolarHBondContact O-N 3.29Å; R338-A341 PolarHBondContact O-N 3.08Å; R338-M342 HydrophobicContact CG-CG 4.45Å; R338-M342 WeakPolarHBondContact O-CB 3.49Å; R338-M342 WeakPolarHBondContact O-CG 3.32Å; R338-M342 PolarHBondContact O-N 2.66Å; R338-D447 IonicContact CZ-OD1 2.74Å; R338-D447 IonicContact NH1-OD1 2.98Å; R338-D447 PolarHBondContact NH1-OD1 3.03Å; R338-D447 IonicContact NH2-OD1 2.83Å; R338-Y450 HydrophobicContact CB-CD2 4.12Å; R338-Y450 HydrophobicContact CB-CE2 4.24Å; R338-Y450 HydrophobicContact CG-CD2 3.95Å; R338-Y450 HydrophobicContact CG-CE2 3.74Å
339	L	98.8	Very high	98.6	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-64.8	-44.6	-176.6	-169.4	144.3	0	0	0	111.7	I292 A335 R337 M342 L343 Y450 A453 L454 I457	I292-L339 HydrophobicContact CB-CD2 3.89Å; I292-L339 HydrophobicContact CD1-CD2 4.39Å; I292-L339 HydrophobicContact CG1-CD2 3.73Å; I292-L339 HydrophobicContact CG2-CD2 3.54Å; A335-L339 WeakPolarHBondContact O-CB 3.43Å; A335-L339 PolarHBondContact O-N 3.31Å; R337-L339 VanDerWaalsContact C-N 3.31Å; R337-L339 PolarHBondContact O-N 3.13Å; L339-M342 PolarHBondContact O-N 3.22Å; L339-L343 HydrophobicContact CD2-CD1 3.46Å; L339-L343 VanDerWaalsContact CD2-CD1 3.46Å; L339-L343 HydrophobicContact CG-CD1 4.07Å; L339-L343 WeakPolarHBondContact O-CB 3.42Å; L339-L343 VanDerWaalsContact O-CG 3.31Å; L339-L343 WeakPolarHBondContact O-CG 3.37Å; L339-L343 PolarHBondContact O-N 3.06Å; L339-Y450 HydrophobicContact CB-CD2 3.73Å; L339-Y450 HydrophobicContact CB-CE2 3.76Å; L339-Y450 HydrophobicContact CD1-CD2 4.12Å; L339-Y450 HydrophobicContact CD1-CE2 4.34Å; L339-Y450 HydrophobicContact CG-CD2 4.31Å; L339-Y450 HydrophobicContact CG-CE2 4.2Å; L339-A453 HydrophobicContact CD1-CB 4.07Å; L339-L454 HydrophobicContact CD1-CB 4.01Å; L339-I457 HydrophobicContact CD1-CD1 4.07Å; L339-I457 HydrophobicContact CD2-CD1 3.27Å; L339-I457 HydrophobicContact CG-CD1 4.21Å
340	W	98.9	Very high	98.5	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.008	13%	0.131	C	C	.	.	H	α-helix	trans	-57.7	-51.3	172	178.8	-107.8	0	0	0	112.5	I272 I292 L296 L316 F318 G336 R337 M342 L343 I344 L356 L358	I272-W340 HydrophobicContact CD1-CH2 4.49Å; I292-W340 HydrophobicContact CD1-CB 3.88Å; I292-W340 HydrophobicContact CD1-CE3 3.98Å; I292-W340 HydrophobicContact CG2-CE3 4.22Å; L296-W340 HydrophobicContact CD2-CZ3 4.5Å; L316-W340 HydrophobicContact CD1-CH2 4.01Å; L316-W340 HydrophobicContact CD1-CZ2 3.86Å; F318-W340 HydrophobicContact CE1-CE3 4.41Å; F318-W340 HydrophobicContact CE2-CD2 4.06Å; F318-W340 AromaticContact CE2-CE2 3.91Å; F318-W340 HydrophobicContact CE2-CE3 4.35Å; F318-W340 HydrophobicContact CE2-CH2 4.3Å; F318-W340 HydrophobicContact CE2-CZ2 4.04Å; F318-W340 HydrophobicContact CE2-CZ3 4.48Å; F318-W340 AromaticContact CZ-CD2 3.72Å; F318-W340 HydrophobicContact CZ-CD2 3.72Å; F318-W340 AromaticContact CZ-CE2 3.94Å; F318-W340 AromaticContact CZ-CE3 3.57Å; F318-W340 HydrophobicContact CZ-CE3 3.57Å; F318-W340 HydrophobicContact CZ-CG 4.43Å; F318-W340 AromaticContact CZ-CH2 3.84Å; F318-W340 HydrophobicContact CZ-CH2 3.84Å; F318-W340 HydrophobicContact CZ-CZ2 4.01Å; F318-W340 AromaticContact CZ-CZ3 3.65Å; F318-W340 HydrophobicContact CZ-CZ3 3.65Å; G336-W340 WeakPolarHBondContact O-CB 3.33Å; G336-W340 PolarHBondContact O-N 3.09Å; R337-W340 PolarHBondContact O-N 3.38Å; W340-M342 VanDerWaalsContact C-N 3.32Å; W340-M342 PolarHBondContact O-N 3.31Å; W340-L343 PolarHBondContact O-N 2.85Å; W340-I344 HydrophobicContact CD2-CD1 4.3Å; W340-I344 HydrophobicContact CD2-CG1 3.68Å; W340-I344 VanDerWaalsContact CE2-CG1 3.44Å; W340-I344 HydrophobicContact CE3-CD1 4.14Å; W340-I344 HydrophobicContact CE3-CG1 3.97Å; W340-I344 HydrophobicContact CG-CG1 4.29Å; W340-I344 HydrophobicContact CH2-CD1 3.52Å; W340-I344 HydrophobicContact CH2-CG1 3.93Å; W340-I344 HydrophobicContact CZ2-CD1 3.65Å; W340-I344 HydrophobicContact CZ2-CG1 3.59Å; W340-I344 HydrophobicContact CZ3-CD1 3.76Å; W340-I344 HydrophobicContact CZ3-CG1 4.08Å; W340-I344 WeakPolarHBondContact O-CG1 3.48Å; W340-I344 PolarHBondContact O-N 2.95Å; W340-L356 VanDerWaalsContact CD1-O 3.32Å; W340-L358 HydrophobicContact CB-CB 4.04Å; W340-L358 HydrophobicContact CB-CD1 3.81Å; W340-L358 HydrophobicContact CG-CB 3.96Å; W340-L358 HydrophobicContact CG-CD1 4.17Å
341	A	98.8	Very high	98.5	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-61.4	-42.2	-176.6	0	0	0	0	0	111.9	F100 Y102 R337 R338 K345 L356	F100-A341 HydrophobicContact CD2-CB 4.11Å; F100-A341 HydrophobicContact CE2-CB 3.97Å; Y102-A341 HydrophobicContact CD2-CB 3.82Å; Y102-A341 HydrophobicContact CE2-CB 4.3Å; R337-A341 WeakPolarHBondContact O-CB 3.31Å; R337-A341 PolarHBondContact O-N 2.95Å; R338-A341 PolarHBondContact O-N 3.08Å; A341-K345 VanDerWaalsContact O-CB 3.26Å; A341-K345 WeakPolarHBondContact O-CB 3.46Å; A341-K345 PolarHBondContact O-N 2.97Å; A341-K345 VanDerWaalsContact O-N 3.16Å; A341-L356 HydrophobicContact CB-CB 4.34Å
342	M	98.7	Very high	98.4	Very high	73 Å²	73	42 Å²	42	36%	0.36	19%	0.194	S	C	.	.	H	α-helix	trans	-62.6	-51.3	176.3	-70	-65.9	-68.3	0	0	111.2	F100 R338 L339 W340 K345 E346	F100-M342 HydrophobicContact CE1-SD 4.03Å; F100-M342 HydrophobicContact CE2-SD 4.38Å; F100-M342 HydrophobicContact CZ-SD 3.46Å; F100-M342 WeakPolarHBondContact CZ-SD 3.38Å; R338-M342 HydrophobicContact CG-CG 4.45Å; R338-M342 WeakPolarHBondContact O-CB 3.49Å; R338-M342 WeakPolarHBondContact O-CG 3.32Å; R338-M342 PolarHBondContact O-N 2.66Å; L339-M342 PolarHBondContact O-N 3.22Å; W340-M342 VanDerWaalsContact C-N 3.32Å; W340-M342 PolarHBondContact O-N 3.31Å; M342-K345 PolarHBondContact O-N 3.12Å; M342-E346 WeakPolarHBondContact O-CB 3.48Å; M342-E346 PolarHBondContact O-N 2.96Å
343	L	98.6	Very high	98.3	Very high	4 Å²	4	44.9 Å²	44.9	2%	0.021	22%	0.218	C	C	.	.	H	α-helix	trans	-66.8	-40.6	-176.2	-71.6	168.3	0	0	0	113	I292 L296 L339 W340 K345 E346 K347 L454 I457	I292-L343 HydrophobicContact CG2-CD1 3.68Å; L296-L343 HydrophobicContact CD1-CD1 4.37Å; L296-L343 HydrophobicContact CD2-CB 4.16Å; L339-L343 HydrophobicContact CD2-CD1 3.46Å; L339-L343 VanDerWaalsContact CD2-CD1 3.46Å; L339-L343 HydrophobicContact CG-CD1 4.07Å; L339-L343 WeakPolarHBondContact O-CB 3.42Å; L339-L343 VanDerWaalsContact O-CG 3.31Å; L339-L343 WeakPolarHBondContact O-CG 3.37Å; L339-L343 PolarHBondContact O-N 3.06Å; W340-L343 PolarHBondContact O-N 2.85Å; L343-K345 VanDerWaalsContact C-N 3.34Å; L343-E346 PolarHBondContact O-N 3.19Å; L343-K347 HydrophobicContact CD2-CD 4.43Å; L343-K347 VanDerWaalsContact O-CB 3.29Å; L343-K347 WeakPolarHBondContact O-CB 3.24Å; L343-K347 WeakPolarHBondContact O-CG 3.48Å; L343-K347 PolarHBondContact O-N 3.01Å; L343-L454 HydrophobicContact CD2-CD1 4.26Å; L343-I457 HydrophobicContact CD1-CD1 4.15Å; L343-I457 HydrophobicContact CD1-CG2 4.16Å
344	I	98.6	Very high	98.1	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-65.1	-41.5	176.6	-64.9	-57.3	0	0	0	111	L296 I309 W340 F348 Q349 P350 L356	L296-I344 HydrophobicContact CD2-CD1 4.12Å; I309-I344 HydrophobicContact CG1-CG2 4.41Å; W340-I344 HydrophobicContact CD2-CD1 4.3Å; W340-I344 HydrophobicContact CD2-CG1 3.68Å; W340-I344 VanDerWaalsContact CE2-CG1 3.44Å; W340-I344 HydrophobicContact CE3-CD1 4.14Å; W340-I344 HydrophobicContact CE3-CG1 3.97Å; W340-I344 HydrophobicContact CG-CG1 4.29Å; W340-I344 HydrophobicContact CH2-CD1 3.52Å; W340-I344 HydrophobicContact CH2-CG1 3.93Å; W340-I344 HydrophobicContact CZ2-CD1 3.65Å; W340-I344 HydrophobicContact CZ2-CG1 3.59Å; W340-I344 HydrophobicContact CZ3-CD1 3.76Å; W340-I344 HydrophobicContact CZ3-CG1 4.08Å; W340-I344 WeakPolarHBondContact O-CG1 3.48Å; W340-I344 PolarHBondContact O-N 2.95Å; I344-F348 HydrophobicContact CD1-CD2 3.59Å; I344-F348 HydrophobicContact CD1-CE2 3.73Å; I344-F348 HydrophobicContact CG2-CD2 4.46Å; I344-F348 PolarHBondContact O-N 2.95Å; I344-Q349 PolarHBondContact O-N 2.85Å; I344-P350 HydrophobicContact CG2-CG 4Å; I344-P350 WeakPolarHBondContact O-CD 3.1Å; I344-L356 HydrophobicContact CB-CD2 3.98Å; I344-L356 HydrophobicContact CG2-CD2 3.77Å
345	K	98.4	Very high	98.1	Very high	108 Å²	108	51.5 Å²	51.5	47%	0.47	25%	0.247	S	C	.	.	H	α-helix	trans	-62.4	-47.2	176.8	-171.9	177.3	-179	-178.2	0	111.5	F100 A341 M342 L343 Q349 L356	F100-K345 HydrophobicContact CD2-CD 4.49Å; F100-K345 HydrophobicContact CE1-CD 4.32Å; F100-K345 HydrophobicContact CE2-CB 4.37Å; F100-K345 HydrophobicContact CE2-CD 3.67Å; F100-K345 HydrophobicContact CZ-CD 3.56Å; A341-K345 VanDerWaalsContact O-CB 3.26Å; A341-K345 WeakPolarHBondContact O-CB 3.46Å; A341-K345 PolarHBondContact O-N 2.97Å; A341-K345 VanDerWaalsContact O-N 3.16Å; M342-K345 PolarHBondContact O-N 3.12Å; L343-K345 VanDerWaalsContact C-N 3.34Å; K345-Q349 PolarHBondContact O-N 2.75Å; K345-L356 HydrophobicContact CB-CD2 3.84Å
346	E	97.6	Very high	98	Very high	134 Å²	134	52.2 Å²	52.2	63%	0.626	25%	0.251	S	S	*	.	H	α-helix	trans	-68.1	-44.1	-177.4	-173.1	-170.4	149.1	0	0	112.5	M342 L343 Q349	M342-E346 WeakPolarHBondContact O-CB 3.48Å; M342-E346 PolarHBondContact O-N 2.96Å; L343-E346 PolarHBondContact O-N 3.19Å; E346-Q349 PolarHBondContact O-NE2 2.86Å
347	K	97.6	Very high	98	Very high	64 Å²	64	52.9 Å²	52.9	28%	0.278	25%	0.254	S	S	.	.	H	α-helix	trans	-91.1	-28.8	-170.5	-65.8	177.4	-179.6	-83.1	0	114.2	L296 L343 Q349 E461	L296-K347 HydrophobicContact CD1-CD 4.1Å; L296-K347 HydrophobicContact CD2-CD 4.26Å; L343-K347 HydrophobicContact CD2-CD 4.43Å; L343-K347 VanDerWaalsContact O-CB 3.29Å; L343-K347 WeakPolarHBondContact O-CB 3.24Å; L343-K347 WeakPolarHBondContact O-CG 3.48Å; L343-K347 PolarHBondContact O-N 3.01Å; K347-Q349 PolarHBondContact O-NE2 3.29Å; K347-E461 WeakPolarHBondContact CE-OE2 3.36Å; K347-E461 IonicContact NZ-OE2 3.92Å; K347-E461 PolarHBondContact NZ-OE2 3.28Å
348	F	97.8	Very high	98	Very high	28 Å²	28	52.9 Å²	52.9	12%	0.123	25%	0.254	C	S	.	.	H	α-helix	trans	-125.6	-5.5	-171.2	-54.3	-69.1	0	0	0	115.1	L296 C299 R300 L303 I309 I344	L296-F348 HydrophobicContact CD2-CE2 3.87Å; C299-F348 HydrophobicContact CB-CD2 4.29Å; C299-F348 HydrophobicContact CB-CE1 4.12Å; C299-F348 HydrophobicContact CB-CE2 3.64Å; C299-F348 HydrophobicContact CB-CZ 3.53Å; R300-F348 HydrophobicContact CG-CE1 4.43Å; R300-F348 HydrophobicContact CG-CZ 4.44Å; L303-F348 HydrophobicContact CD1-CD1 3.57Å; L303-F348 HydrophobicContact CD1-CE1 3.73Å; I309-F348 HydrophobicContact CB-CB 4.3Å; I309-F348 HydrophobicContact CD1-CB 4.25Å; I309-F348 HydrophobicContact CD1-CD2 4.4Å; I309-F348 HydrophobicContact CD1-CG 4.28Å; I309-F348 HydrophobicContact CG1-CB 3.95Å; I344-F348 HydrophobicContact CD1-CD2 3.59Å; I344-F348 HydrophobicContact CD1-CE2 3.73Å; I344-F348 HydrophobicContact CG2-CD2 4.46Å; I344-F348 PolarHBondContact O-N 2.95Å
349	Q	97.5	Very high	97.9	Very high	132 Å²	132	53 Å²	53	62%	0.617	25%	0.254	S	S	*	.			trans	42.2	56	174.9	-51.7	85.7	44	0	0	114.7	I344 K345 E346 K347	I344-Q349 PolarHBondContact O-N 2.85Å; K345-Q349 PolarHBondContact O-N 2.75Å; E346-Q349 PolarHBondContact O-NE2 2.86Å; K347-Q349 PolarHBondContact O-NE2 3.29Å
350	P	97.8	Very high	97.9	Very high	23 Å²	23	53.1 Å²	53.1	15%	0.149	26%	0.255	C	S	.	.			trans	-63.7	151.2	-179	30.3	-37.2	0	0	0	111.9	I309 D310 I344 L356	I309-P350 HydrophobicContact CG2-CB 3.75Å; D310-P350 VanDerWaalsContact OD1-CB 3.31Å; D310-P350 WeakPolarHBondContact OD1-CB 3.35Å; I344-P350 HydrophobicContact CG2-CG 4Å; I344-P350 WeakPolarHBondContact O-CD 3.1Å; P350-L356 HydrophobicContact CG-CD2 3.48Å; P350-L356 VanDerWaalsContact CG-CD2 3.48Å; P350-L356 HydrophobicContact CG-CG 4.05Å
351	K	97.7	Very high	97.9	Very high	196 Å²	196	54.1 Å²	54.1	85%	0.852	26%	0.26	S	S	*	.	S	Bend	trans	-88.1	-26.3	174.3	-59.6	177.4	-178.9	174.1	0	111.7	D310	D310-K351 PolarHBondContact OD1-N 2.87Å; D310-K351 WeakPolarHBondContact OD2-CA 3.38Å; D310-K351 VanDerWaalsContact OD2-CB 3.31Å; D310-K351 WeakPolarHBondContact OD2-CB 3.31Å; D310-K351 PolarHBondContact OD2-N 3.36Å
352	L	96.5	Very high	97.9	Very high	90 Å²	90	54.1 Å²	54.1	47%	0.471	26%	0.26	S	S	.	.			trans	-95.4	127.2	179.5	-57.4	-179.3	0	0	0	111.4	D310 K354 S355	D310-L352 HydrophobicContact CB-CD1 3.91Å; D310-L352 HydrophobicContact CB-CG 4.03Å; D310-L352 WeakPolarHBondContact OD1-CB 3.41Å; D310-L352 PolarHBondContact OD1-N 3.21Å; D310-L352 VanDerWaalsContact OD1-N 3.07Å; D310-L352 PolarHBondContact OD2-N 3.24Å; L352-K354 PolarHBondContact O-N 3.06Å; L352-K354 VanDerWaalsContact O-N 3.12Å; L352-S355 VanDerWaalsContact O-CB 3.3Å; L352-S355 WeakPolarHBondContact O-CB 3.48Å; L352-S355 PolarHBondContact O-N 3.06Å; L352-S355 PolarHBondContact O-OG 3.06Å
353	A	96.8	Very high	97.9	Very high	60 Å²	60	51.3 Å²	51.3	50%	0.496	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-56.5	-30.1	172.6	0	0	0	0	0	112.7	Y102 S355 L356	Y102-A353 PolarHBondContact OH-O 3.42Å; A353-S355 PolarHBondContact O-N 3.32Å; A353-L356 WeakPolarHBondContact O-CB 3.5Å; A353-L356 PolarHBondContact O-N 3.39Å; A353-L356 VanDerWaalsContact O-N 3.15Å
354	K	96	Very high	97.9	Very high	139 Å²	139	51.1 Å²	51.1	60%	0.604	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-63.6	-22.7	177.4	-75.7	-175.8	178.6	176	0	114.1	P314 L352 L356 L357	P314-K354 HydrophobicContact CG-CB 4.49Å; L352-K354 PolarHBondContact O-N 3.06Å; L352-K354 VanDerWaalsContact O-N 3.12Å; K354-L356 VanDerWaalsContact C-N 3.25Å; K354-L357 HydrophobicContact CB-CD1 4.49Å; K354-L357 HydrophobicContact CG-CD1 4.34Å; K354-L357 PolarHBondContact O-N 3.32Å
355	S	97.7	Very high	97.9	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-74.1	-19.8	177.9	-55.3	0	0	0	0	112.1	D310 L352 A353 L357	D310-S355 WeakPolarHBondContact OD1-CB 3.27Å; D310-S355 PolarHBondContact OD1-OG 3.49Å; L352-S355 VanDerWaalsContact O-CB 3.3Å; L352-S355 WeakPolarHBondContact O-CB 3.48Å; L352-S355 PolarHBondContact O-N 3.06Å; L352-S355 PolarHBondContact O-OG 3.06Å; A353-S355 PolarHBondContact O-N 3.32Å; S355-L357 VanDerWaalsContact C-N 3.35Å
356	L	98.5	Very high	97.7	Very high	15 Å²	15	46.8 Å²	46.8	8%	0.079	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-86.4	-6.2	177.2	-56.5	177.2	0	0	0	113.1	F100 Y102 W340 A341 I344 K345 P350 A353 K354	F100-L356 HydrophobicContact CD2-CD1 3.87Å; F100-L356 HydrophobicContact CE2-CD1 4.25Å; Y102-L356 HydrophobicContact CE2-CB 3.76Å; Y102-L356 HydrophobicContact CE2-CD1 4.48Å; W340-L356 VanDerWaalsContact CD1-O 3.32Å; A341-L356 HydrophobicContact CB-CB 4.34Å; I344-L356 HydrophobicContact CB-CD2 3.98Å; I344-L356 HydrophobicContact CG2-CD2 3.77Å; K345-L356 HydrophobicContact CB-CD2 3.84Å; P350-L356 HydrophobicContact CG-CD2 3.48Å; P350-L356 VanDerWaalsContact CG-CD2 3.48Å; P350-L356 HydrophobicContact CG-CG 4.05Å; A353-L356 WeakPolarHBondContact O-CB 3.5Å; A353-L356 PolarHBondContact O-N 3.39Å; A353-L356 VanDerWaalsContact O-N 3.15Å; K354-L356 VanDerWaalsContact C-N 3.25Å
357	L	98.4	Very high	97.7	Very high	14 Å²	14	43.7 Å²	43.7	7%	0.073	21%	0.213	C	C	.	.			trans	-82.2	123.9	-174.2	-60.5	180	0	0	0	111	Y102 P106 K354 S355	Y102-L357 HydrophobicContact CD1-CD2 3.64Å; Y102-L357 HydrophobicContact CD2-CD2 4.04Å; Y102-L357 HydrophobicContact CE1-CD2 3.48Å; Y102-L357 VanDerWaalsContact CE1-CD2 3.48Å; Y102-L357 HydrophobicContact CE2-CD2 3.9Å; Y102-L357 HydrophobicContact CG-CD2 3.91Å; P106-L357 HydrophobicContact CB-CD2 4.09Å; K354-L357 HydrophobicContact CB-CD1 4.49Å; K354-L357 HydrophobicContact CG-CD1 4.34Å; K354-L357 PolarHBondContact O-N 3.32Å; S355-L357 VanDerWaalsContact C-N 3.35Å
358	L	98.7	Very high	97.7	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.01	20%	0.204	C	C	.	.			trans	-87	109.3	161.6	-175.2	152.3	0	0	0	108.4	I292 F318 W320 R337 W340 T360	I292-L358 HydrophobicContact CD1-CD1 3.82Å; F318-L358 HydrophobicContact CB-CD2 4.11Å; F318-L358 HydrophobicContact CB-CG 4.2Å; F318-L358 HydrophobicContact CD1-CD1 3.9Å; F318-L358 HydrophobicContact CD1-CG 4.28Å; F318-L358 HydrophobicContact CD2-CB 4.38Å; F318-L358 HydrophobicContact CD2-CD1 3.94Å; F318-L358 HydrophobicContact CD2-CD2 4.28Å; F318-L358 HydrophobicContact CD2-CG 3.49Å; F318-L358 VanDerWaalsContact CD2-CG 3.49Å; F318-L358 HydrophobicContact CE1-CD1 4Å; F318-L358 HydrophobicContact CE2-CB 4.43Å; F318-L358 HydrophobicContact CE2-CD1 4.01Å; F318-L358 HydrophobicContact CE2-CG 3.84Å; F318-L358 HydrophobicContact CG-CD1 3.86Å; F318-L358 HydrophobicContact CG-CD2 4.18Å; F318-L358 HydrophobicContact CG-CG 3.72Å; F318-L358 HydrophobicContact CZ-CD1 4.04Å; F318-L358 HydrophobicContact CZ-CG 4.39Å; W320-L358 HydrophobicContact CZ2-CD1 4.17Å; R337-L358 HydrophobicContact CG-CB 4.09Å; R337-L358 HydrophobicContact CG-CD2 4.04Å; W340-L358 HydrophobicContact CB-CB 4.04Å; W340-L358 HydrophobicContact CB-CD1 3.81Å; W340-L358 HydrophobicContact CG-CB 3.96Å; W340-L358 HydrophobicContact CG-CD1 4.17Å; L358-T360 HydrophobicContact CD2-CG2 4.43Å
359	R	97.7	Very high	97.7	Very high	28 Å²	28	40.4 Å²	40.4	11%	0.106	20%	0.201	C	C	.	.			trans	-103.8	127.8	172.8	-64.2	170.9	-67.2	-93.3	-13.7	108.1	Y107 A313 P314 L316 S317 F318	Y107-R359 VanDerWaalsContact OH-CD 3.25Å; Y107-R359 WeakPolarHBondContact OH-CD 3.27Å; A313-R359 PolarHBondContact O-NH2 2.89Å; P314-R359 PolarHBondContact O-NH1 2.99Å; P314-R359 PolarHBondContact O-NH2 2.85Å; L316-R359 PolarHBondContact O-NH2 2.9Å; S317-R359 CarbonylContact C-O 3.58Å; S317-R359 WeakPolarHBondContact CA-O 3.37Å; F318-R359 PolarHBondContact N-O 3.07Å
360	T	97.9	Very high	97.6	Very high	3 Å²	3	34.7 Å²	34.7	2%	0.018	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	143.8	-169.7	-159.5	0	0	0	0	114.2	F318 W320 L358 T393 Q394 S395	F318-T360 CarbonylContact O-C 3.48Å; F318-T360 VanDerWaalsContact O-CA 3.28Å; F318-T360 WeakPolarHBondContact O-CA 3.45Å; F318-T360 PolarHBondContact O-OG1 3.29Å; W320-T360 PolarHBondContact NE1-OG1 2.75Å; L358-T360 HydrophobicContact CD2-CG2 4.43Å; T360-T393 PolarHBondContact O-OG1 3.4Å; T360-Q394 WeakPolarHBondContact O-CA 3.27Å; T360-Q394 WeakPolarHBondContact O-CB 3.49Å; T360-Q394 PolarHBondContact O-N 3.33Å; T360-S395 PolarHBondContact O-N 3.48Å
361	H	97.9	Very high	97.4	Very high	23 Å²	23	35 Å²	35	11%	0.106	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	153.3	154.2	-179	44.9	0	0	0	109.5	F318 F319 W320 S395 H397	F318-H361 PolarHBondContact O-N 3.04Å; F319-H361 WeakPolarHBondContact CA-O 3.22Å; F319-H361 HydrophobicContact CD2-CB 4.07Å; F319-H361 AromaticContact CD2-CD2 3.4Å; F319-H361 WeakPolarHBondContact CD2-CD2 3.46Å; F319-H361 AromaticContact CD2-CG 3.95Å; F319-H361 AromaticContact CE2-CD2 3.42Å; F319-H361 VanDerWaalsContact CE2-CD2 3.42Å; F319-H361 WeakPolarHBondContact CE2-CD2 3.38Å; F319-H361 AromaticContact CE2-NE2 3.93Å; W320-H361 PolarHBondContact N-O 3.2Å; H361-S395 CarbonylContact C-O 3.06Å; H361-S395 VanDerWaalsContact CA-O 3.31Å; H361-S395 WeakPolarHBondContact CA-O 3.02Å; H361-S395 VanDerWaalsContact ND1-C 3.33Å; H361-S395 PolarHBondContact ND1-O 3.1Å; H361-S395 PolarHBondContact ND1-OG 3.37Å; H361-S395 VanDerWaalsContact ND1-OG 3.13Å; H361-H397 PolarHBondContact CE1-N 3Å
362	C	98.7	Very high	97.2	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	148.7	165.6	-69.1	0	0	0	0	110.4	W320 I322 A388 T393 S395 L396 H397	W320-C362 VanDerWaalsContact O-CA 3.31Å; W320-C362 WeakPolarHBondContact O-CA 3.38Å; I322-C362 HydrophobicContact CD1-CB 4.33Å; I322-C362 HydrophobicContact CG1-CB 3.79Å; C362-A388 HydrophobicContact CB-CB 3.91Å; C362-T393 PolarHBondContact N-OG1 3.17Å; C362-T393 PolarHBondContact SG-OG1 3.19Å; C362-S395 PolarHBondContact N-O 2.87Å; C362-L396 HydrophobicContact CB-CD1 3.89Å; C362-L396 CarbonylContact O-C 3.57Å; C362-L396 WeakPolarHBondContact O-CA 3.25Å; C362-L396 WeakPolarHBondContact O-CD1 3.4Å; C362-H397 PolarHBondContact O-N 3.49Å
363	Q	98.7	Very high	97.1	Very high	14 Å²	14	25.2 Å²	25.2	7%	0.065	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	136.4	166.2	177.6	165.6	-0.6	0	0	107.9	Y275 F319 W320 G321 I322 H397 N399	Y275-Q363 HydrophobicContact CD2-CB 3.85Å; Y275-Q363 HydrophobicContact CD2-CG 4.21Å; Y275-Q363 HydrophobicContact CE2-CB 3.79Å; Y275-Q363 HydrophobicContact CE2-CG 3.61Å; Y275-Q363 PolarHBondContact OH-NE2 3.33Å; F319-Q363 HydrophobicContact CE2-CB 3.45Å; F319-Q363 VanDerWaalsContact CE2-CB 3.45Å; F319-Q363 HydrophobicContact CZ-CB 3.68Å; W320-Q363 PolarHBondContact O-N 3.33Å; W320-Q363 VanDerWaalsContact O-N 3.08Å; G321-Q363 CarbonylContact C-O 3.46Å; G321-Q363 WeakPolarHBondContact CA-O 3.36Å; I322-Q363 PolarHBondContact N-O 3.43Å; Q363-H397 WeakPolarHBondContact CA-O 3.48Å; Q363-H397 HydrophobicContact CB-CB 3.94Å; Q363-H397 HydrophobicContact CG-CB 3.88Å; Q363-N399 PolarHBondContact NE2-OD1 2.77Å
364	T	98.8	Very high	97	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	147	170.4	56.3	0	0	0	0	109.9	I322 G366 T381 E384 H397 T398 N399	I322-T364 CarbonylContact O-C 3.48Å; T364-G366 PolarHBondContact O-N 3.43Å; T364-T381 HydrophobicContact CG2-CG2 4.02Å; T364-E384 WeakPolarHBondContact CB-OE2 2.98Å; T364-E384 HydrophobicContact CG2-CB 3.56Å; T364-H397 PolarHBondContact N-O 3.39Å; T364-H397 VanDerWaalsContact N-O 3.15Å; T364-T398 HydrophobicContact CG2-CG2 4.16Å; T364-N399 PolarHBondContact O-ND2 2.8Å; T364-N399 VanDerWaalsContact OG1-CG 3.26Å; T364-N399 PolarHBondContact OG1-N 3.44Å; T364-N399 PolarHBondContact OG1-ND2 3.49Å
365	S	98.5	Very high	97.1	Very high	3 Å²	3	20.9 Å²	20.9	2%	0.021	10%	0.1	C	C	.	.			trans	-63.7	128.6	-175.8	-178.5	0	0	0	0	111	E279 I322 S368 N399	E279-S365 WeakPolarHBondContact OE1-CA 3.42Å; E279-S365 WeakPolarHBondContact OE1-CB 3.5Å; E279-S365 PolarHBondContact OE1-OG 2.75Å; I322-S365 PolarHBondContact O-N 3.26Å; S365-S368 PolarHBondContact O-OG 3.04Å; S365-S368 VanDerWaalsContact O-OG 3.07Å; S365-S368 PolarHBondContact OG-N 3.17Å; S365-N399 PolarHBondContact O-ND2 2.93Å
366	G	95.8	Very high	97.1	Very high	14 Å²	14	23 Å²	23	14%	0.144	11%	0.111	C	C	.	.	S	Bend	trans	-73.3	-39.8	172.5	0	0	0	0	0	110.5	E279 T364 S368 L369 N399	E279-G366 VanDerWaalsContact OE2-CA 3.31Å; E279-G366 WeakPolarHBondContact OE2-CA 3.33Å; E279-G366 PolarHBondContact OE2-N 2.8Å; T364-G366 PolarHBondContact O-N 3.43Å; G366-S368 VanDerWaalsContact C-N 3.26Å; G366-S368 PolarHBondContact O-N 2.92Å; G366-L369 WeakPolarHBondContact O-CB 3.41Å; G366-L369 PolarHBondContact O-N 3Å; G366-L369 VanDerWaalsContact O-N 3.1Å; G366-N399 VanDerWaalsContact CA-ND2 3.31Å; G366-N399 WeakPolarHBondContact CA-ND2 3.42Å; G366-N399 PolarHBondContact N-ND2 2.73Å; G366-N399 VanDerWaalsContact N-ND2 3.2Å
367	W	97.3	Very high	97.1	Very high	70 Å²	70	22.2 Å²	22.2	27%	0.265	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-26.9	178.8	177.9	84.8	0	0	0	113.9	E279 L369 R486 I490 R640	E279-W367 PolarHBondContact OE2-N 3.19Å; W367-L369 PolarHBondContact O-N 3.29Å; W367-R486 HydrophobicContact CH2-CG 4.34Å; W367-R486 VanDerWaalsContact CH2-NE 3.26Å; W367-R486 VanDerWaalsContact CZ3-NH1 3.28Å; W367-I490 HydrophobicContact CH2-CD1 3.63Å; W367-I490 HydrophobicContact CZ2-CD1 3.61Å; W367-R640 VanDerWaalsContact CD1-CZ 3.49Å; W367-R640 VanDerWaalsContact CD2-NH1 3.28Å; W367-R640 VanDerWaalsContact NE1-NH2 3.17Å
368	S	98.2	Very high	97.1	Very high	13 Å²	13	23.4 Å²	23.4	9%	0.091	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-15.7	176.9	73.9	0	0	0	0	113.3	S365 G366 R380 E384	S365-S368 PolarHBondContact O-OG 3.04Å; S365-S368 VanDerWaalsContact O-OG 3.07Å; S365-S368 PolarHBondContact OG-N 3.17Å; G366-S368 VanDerWaalsContact C-N 3.26Å; G366-S368 PolarHBondContact O-N 2.92Å; S368-R380 VanDerWaalsContact O-CD 3.29Å; S368-R380 WeakPolarHBondContact O-CD 3.45Å; S368-E384 VanDerWaalsContact CB-OE1 3.28Å; S368-E384 WeakPolarHBondContact CB-OE1 3.43Å; S368-E384 PolarHBondContact OG-OE1 3.28Å
369	L	97.3	Very high	97.1	Very high	10 Å²	10	27.4 Å²	27.4	5%	0.052	14%	0.139	C	C	.	.			trans	-84.3	140.2	-177	-53.1	-168.6	0	0	0	110.9	G366 W367 N377 R380 N399 S400 E403	G366-L369 WeakPolarHBondContact O-CB 3.41Å; G366-L369 PolarHBondContact O-N 3Å; G366-L369 VanDerWaalsContact O-N 3.1Å; W367-L369 PolarHBondContact O-N 3.29Å; L369-N377 WeakPolarHBondContact CA-OD1 3.33Å; L369-N377 HydrophobicContact CB-CB 4.42Å; L369-N377 HydrophobicContact CD2-CB 3.86Å; L369-N377 HydrophobicContact CG-CB 4.48Å; L369-R380 HydrophobicContact CD2-CB 4.18Å; L369-N399 HydrophobicContact CD1-CB 3.54Å; L369-S400 WeakPolarHBondContact CD1-O 3.32Å; L369-E403 HydrophobicContact CD1-CB 3.61Å; L369-E403 HydrophobicContact CD1-CG 4.24Å
370	T	95.9	Very high	97.1	Very high	11 Å²	11	27.1 Å²	27.1	7%	0.067	14%	0.138	C	C	.	.			trans	-106.7	143.5	-171.9	59.9	0	0	0	0	111.1	Q372 N377 R380 I497 V500	T370-Q372 WeakPolarHBondContact CB-O 3.47Å; T370-Q372 PolarHBondContact OG1-O 3.07Å; T370-N377 PolarHBondContact N-ND2 2.57Å; T370-N377 PolarHBondContact N-OD1 3.07Å; T370-N377 PolarHBondContact O-ND2 3.15Å; T370-N377 PolarHBondContact OG1-OD1 3.31Å; T370-R380 PolarHBondContact OG1-NH1 3.27Å; T370-I497 HydrophobicContact CG2-CG2 3.57Å; T370-V500 HydrophobicContact CG2-CG2 3.46Å; T370-V500 VanDerWaalsContact CG2-CG2 3.46Å
371	E	92.3	Very high	97.2	Very high	29 Å²	29	27.1 Å²	27.1	14%	0.136	14%	0.138	C	C	.	.	S	Bend	trans	-66	-45.3	168.4	177.3	-175.5	-175.6	0	0	110.2	A404 L405 P735	E371-A404 HydrophobicContact CB-CB 4.4Å; E371-L405 HydrophobicContact CG-CD2 3.61Å; E371-L405 HydrophobicContact CG-CG 4.32Å; E371-P735 HydrophobicContact CB-CB 4.02Å; E371-P735 HydrophobicContact CB-CG 4.23Å; E371-P735 WeakPolarHBondContact OE2-CD 3.4Å; E371-P735 WeakPolarHBondContact OE2-CG 3.47Å
372	Q	93.6	Very high	97.2	Very high	38 Å²	38	28.3 Å²	28.3	18%	0.178	15%	0.147	C	C	.	.	S	Bend	trans	-75.1	141.1	179.6	-57.7	81.9	1.6	0	0	111.3	T370 V500 P735	T370-Q372 WeakPolarHBondContact CB-O 3.47Å; T370-Q372 PolarHBondContact OG1-O 3.07Å; Q372-V500 HydrophobicContact CB-CG2 4.33Å; Q372-P735 PolarHBondContact NE2-O 2.79Å
373	D	95.1	Very high	97.2	Very high	44 Å²	44	31 Å²	31	24%	0.235	16%	0.161	C	C	.	.	S	Bend	trans	39.3	60.5	-177.1	-167.7	5	0	0	0	113	Y375 N376 L505 E508	D373-Y375 PolarHBondContact O-N 3.08Å; D373-Y375 VanDerWaalsContact O-N 3.1Å; D373-N376 WeakPolarHBondContact O-CB 3.46Å; D373-N376 PolarHBondContact O-N 3.42Å; D373-N376 VanDerWaalsContact O-N 3.08Å; D373-N376 PolarHBondContact O-ND2 3.2Å; D373-N376 PolarHBondContact OD2-ND2 3Å; D373-L505 HydrophobicContact CB-CD1 4.03Å; D373-E508 PolarHBondContact N-OE2 3.18Å
374	P	94.7	Very high	97.2	Very high	8 Å²	8	30.4 Å²	30.4	5%	0.052	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-12.4	-163.3	27.5	-35.1	0	0	0	113.2	N376 N377 F401 L405 V511	P374-N376 PolarHBondContact O-N 2.93Å; P374-N377 WeakPolarHBondContact O-CB 3.12Å; P374-N377 PolarHBondContact O-N 2.74Å; P374-N377 PolarHBondContact O-ND2 3.32Å; P374-F401 HydrophobicContact CB-CD2 4.3Å; P374-L405 HydrophobicContact CG-CD1 4.5Å; P374-V511 HydrophobicContact CG-CG2 3.66Å
375	Y	96.8	Very high	97.2	Very high	100 Å²	100	30.4 Å²	30.4	39%	0.392	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-22.8	172.5	-78.1	-80.3	0	0	0	112.8	D373 N377 V378 F401 K411	D373-Y375 PolarHBondContact O-N 3.08Å; D373-Y375 VanDerWaalsContact O-N 3.1Å; Y375-N377 PolarHBondContact O-N 2.89Å; Y375-V378 WeakPolarHBondContact O-CB 3.39Å; Y375-V378 PolarHBondContact O-N 3.49Å; Y375-V378 VanDerWaalsContact O-N 3.07Å; Y375-F401 HydrophobicContact CE1-CE2 4.35Å; Y375-F401 HydrophobicContact CE1-CZ 4.31Å; Y375-K411 PolarHBondContact OH-NZ 3.13Å
376	N	98	Very high	97.3	Very high	43 Å²	43	32.9 Å²	32.9	23%	0.23	17%	0.169	C	C	.	.	H	α-helix	trans	-59.1	-26.7	169	-70.9	-40.5	0	0	0	112.2	D373 P374 V378 V379 R380	D373-N376 WeakPolarHBondContact O-CB 3.46Å; D373-N376 PolarHBondContact O-N 3.42Å; D373-N376 VanDerWaalsContact O-N 3.08Å; D373-N376 PolarHBondContact O-ND2 3.2Å; D373-N376 PolarHBondContact OD2-ND2 3Å; P374-N376 PolarHBondContact O-N 2.93Å; N376-V378 PolarHBondContact O-N 3.17Å; N376-V379 PolarHBondContact O-N 2.97Å; N376-R380 PolarHBondContact O-N 2.7Å
377	N	98.2	Very high	97.4	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-63	-28.6	176.8	-62.5	-28.8	0	0	0	112.2	L369 T370 P374 Y375 V379 R380 T381 F401	L369-N377 WeakPolarHBondContact CA-OD1 3.33Å; L369-N377 HydrophobicContact CB-CB 4.42Å; L369-N377 HydrophobicContact CD2-CB 3.86Å; L369-N377 HydrophobicContact CG-CB 4.48Å; T370-N377 PolarHBondContact N-ND2 2.57Å; T370-N377 PolarHBondContact N-OD1 3.07Å; T370-N377 PolarHBondContact O-ND2 3.15Å; T370-N377 PolarHBondContact OG1-OD1 3.31Å; P374-N377 WeakPolarHBondContact O-CB 3.12Å; P374-N377 PolarHBondContact O-N 2.74Å; P374-N377 PolarHBondContact O-ND2 3.32Å; Y375-N377 PolarHBondContact O-N 2.89Å; N377-V379 VanDerWaalsContact C-N 3.28Å; N377-V379 PolarHBondContact O-N 3.16Å; N377-R380 PolarHBondContact O-N 3.1Å; N377-R380 PolarHBondContact OD1-NH1 2.87Å; N377-T381 WeakPolarHBondContact O-CB 3.25Å; N377-T381 PolarHBondContact O-N 2.73Å; N377-T381 PolarHBondContact O-OG1 2.84Å; N377-T381 VanDerWaalsContact O-OG1 3.07Å; N377-F401 HydrophobicContact CB-CB 3.98Å; N377-F401 PolarHBondContact ND2-O 3.05Å
378	V	98.5	Very high	97.5	Very high	39 Å²	39	28.9 Å²	28.9	24%	0.236	15%	0.15	C	C	.	.	H	α-helix	trans	-58.6	-44.8	172.8	179.9	0	0	0	0	110.3	Y375 N376 V382 F401 I415	Y375-V378 WeakPolarHBondContact O-CB 3.39Å; Y375-V378 PolarHBondContact O-N 3.49Å; Y375-V378 VanDerWaalsContact O-N 3.07Å; N376-V378 PolarHBondContact O-N 3.17Å; V378-V382 WeakPolarHBondContact O-CG2 3.44Å; V378-V382 PolarHBondContact O-N 3.35Å; V378-F401 HydrophobicContact CG2-CB 3.8Å; V378-F401 HydrophobicContact CG2-CD1 4.41Å; V378-F401 HydrophobicContact CG2-CG 4.28Å; V378-I415 HydrophobicContact CG1-CG2 4.07Å; V378-I415 HydrophobicContact CG2-CG2 4.04Å
379	V	98.8	Very high	97.5	Very high	86 Å²	86	28.4 Å²	28.4	52%	0.521	15%	0.147	S	C	.	.	H	α-helix	trans	-69.4	-43.3	179.3	-178.7	0	0	0	0	111.1	N376 N377 T381 V382 I383	N376-V379 PolarHBondContact O-N 2.97Å; N377-V379 VanDerWaalsContact C-N 3.28Å; N377-V379 PolarHBondContact O-N 3.16Å; V379-T381 PolarHBondContact O-N 2.77Å; V379-V382 PolarHBondContact O-N 3.28Å; V379-I383 HydrophobicContact CG1-CD1 4.01Å; V379-I383 WeakPolarHBondContact O-CG1 3.46Å; V379-I383 PolarHBondContact O-N 2.9Å
380	R	98.9	Very high	97.6	Very high	22 Å²	22	29.2 Å²	29.2	8%	0.083	15%	0.15	C	C	.	.	H	α-helix	trans	-55.6	-52.9	176.1	-66.4	-177.3	-178.4	105.3	0.5	111.1	M324 S368 L369 T370 N376 N377 V382 I383 E384 V498	M324-R380 HydrophobicContact CE-CB 4.38Å; M324-R380 HydrophobicContact CE-CG 4.1Å; M324-R380 HydrophobicContact SD-CB 3.65Å; M324-R380 HydrophobicContact SD-CG 3.84Å; S368-R380 VanDerWaalsContact O-CD 3.29Å; S368-R380 WeakPolarHBondContact O-CD 3.45Å; L369-R380 HydrophobicContact CD2-CB 4.18Å; T370-R380 PolarHBondContact OG1-NH1 3.27Å; N376-R380 PolarHBondContact O-N 2.7Å; N377-R380 PolarHBondContact O-N 3.1Å; N377-R380 PolarHBondContact OD1-NH1 2.87Å; R380-V382 VanDerWaalsContact C-N 3.3Å; R380-V382 PolarHBondContact O-N 3.13Å; R380-I383 WeakPolarHBondContact O-CB 3.45Å; R380-I383 PolarHBondContact O-N 3.36Å; R380-I383 VanDerWaalsContact O-N 3.09Å; R380-E384 WeakPolarHBondContact O-CG 3.42Å; R380-E384 PolarHBondContact O-N 3.43Å; R380-V498 PolarHBondContact NH2-O 3.31Å
381	T	98.8	Very high	97.8	Very high	3 Å²	3	28.7 Å²	28.7	2%	0.018	15%	0.147	C	C	.	.	H	α-helix	trans	-63.7	-32.7	179.7	-60.3	0	0	0	0	112.6	T364 N377 V379 A385 T398	T364-T381 HydrophobicContact CG2-CG2 4.02Å; N377-T381 WeakPolarHBondContact O-CB 3.25Å; N377-T381 PolarHBondContact O-N 2.73Å; N377-T381 PolarHBondContact O-OG1 2.84Å; N377-T381 VanDerWaalsContact O-OG1 3.07Å; V379-T381 PolarHBondContact O-N 2.77Å; T381-A385 WeakPolarHBondContact O-CB 3.31Å; T381-A385 PolarHBondContact O-N 2.92Å; T381-T398 HydrophobicContact CG2-CG2 3.91Å
382	V	98.9	Very high	98.1	Very high	48 Å²	48	27.6 Å²	27.6	29%	0.291	14%	0.143	S	C	.	.	H	α-helix	trans	-62.9	-47.2	172	168.6	0	0	0	0	111.1	V378 V379 R380 A385 M386 T419	V378-V382 WeakPolarHBondContact O-CG2 3.44Å; V378-V382 PolarHBondContact O-N 3.35Å; V379-V382 PolarHBondContact O-N 3.28Å; R380-V382 VanDerWaalsContact C-N 3.3Å; R380-V382 PolarHBondContact O-N 3.13Å; V382-A385 PolarHBondContact O-N 2.84Å; V382-M386 HydrophobicContact CG1-SD 4.09Å; V382-M386 VanDerWaalsContact O-CG 3.31Å; V382-M386 WeakPolarHBondContact O-CG 3.45Å; V382-M386 PolarHBondContact O-N 3.06Å; V382-T419 HydrophobicContact CB-CG2 4.33Å; V382-T419 HydrophobicContact CG2-CG2 3.66Å
383	I	98.9	Very high	98.3	Very high	57 Å²	57	25.8 Å²	25.8	29%	0.292	14%	0.135	S	C	.	.	H	α-helix	trans	-62.3	-46.1	179.8	-67.9	165.2	0	0	0	110.5	M324 F326 V379 R380 M386 A387	M324-I383 HydrophobicContact CE-CD1 3.99Å; M324-I383 HydrophobicContact CE-CG2 4.39Å; F326-I383 HydrophobicContact CB-CG2 4.36Å; F326-I383 HydrophobicContact CD2-CG2 3.99Å; V379-I383 HydrophobicContact CG1-CD1 4.01Å; V379-I383 WeakPolarHBondContact O-CG1 3.46Å; V379-I383 PolarHBondContact O-N 2.9Å; R380-I383 WeakPolarHBondContact O-CB 3.45Å; R380-I383 PolarHBondContact O-N 3.36Å; R380-I383 VanDerWaalsContact O-N 3.09Å; I383-M386 PolarHBondContact O-N 2.93Å; I383-A387 PolarHBondContact O-N 3.28Å
384	E	98.9	Very high	98.4	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-64.3	-43.9	178.1	-66.9	166.9	151.5	0	0	111.3	I322 M324 T364 S368 R380 M386 A387 A388	I322-E384 HydrophobicContact CG2-CB 4.09Å; I322-E384 WeakPolarHBondContact CG2-O 3.4Å; I322-E384 WeakPolarHBondContact O-CG 3.4Å; M324-E384 HydrophobicContact SD-CG 3.96Å; T364-E384 WeakPolarHBondContact CB-OE2 2.98Å; T364-E384 HydrophobicContact CG2-CB 3.56Å; S368-E384 VanDerWaalsContact CB-OE1 3.28Å; S368-E384 WeakPolarHBondContact CB-OE1 3.43Å; S368-E384 PolarHBondContact OG-OE1 3.28Å; R380-E384 WeakPolarHBondContact O-CG 3.42Å; R380-E384 PolarHBondContact O-N 3.43Å; E384-M386 VanDerWaalsContact C-N 3.31Å; E384-M386 PolarHBondContact O-N 3.12Å; E384-A387 PolarHBondContact O-N 3.04Å; E384-A388 PolarHBondContact O-N 3.15Å
385	A	98.9	Very high	98.5	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-58.7	-43.4	175	0	0	0	0	0	111.6	T381 V382 A387 A388 V389 L396 T398 T419 I423	T381-A385 WeakPolarHBondContact O-CB 3.31Å; T381-A385 PolarHBondContact O-N 2.92Å; V382-A385 PolarHBondContact O-N 2.84Å; A385-A387 PolarHBondContact O-N 2.89Å; A385-A388 WeakPolarHBondContact O-CB 3.45Å; A385-A388 PolarHBondContact O-N 3.34Å; A385-V389 VanDerWaalsContact O-CG2 3.27Å; A385-V389 WeakPolarHBondContact O-CG2 3.3Å; A385-V389 PolarHBondContact O-N 3Å; A385-L396 HydrophobicContact CB-CD2 3.94Å; A385-T398 HydrophobicContact CB-CG2 3.78Å; A385-T419 HydrophobicContact CB-CG2 4.11Å; A385-I423 HydrophobicContact CB-CD1 3.73Å
386	M	98.9	Very high	98.6	Very high	55 Å²	55	20.9 Å²	20.9	27%	0.271	12%	0.115	S	C	.	.	H	α-helix	trans	-62.9	-41.3	176.4	-72.6	175.3	64.5	0	0	111.9	F326 V382 I383 E384 A388 V389 F390 I423 I429	F326-M386 HydrophobicContact CE2-CB 3.87Å; V382-M386 HydrophobicContact CG1-SD 4.09Å; V382-M386 VanDerWaalsContact O-CG 3.31Å; V382-M386 WeakPolarHBondContact O-CG 3.45Å; V382-M386 PolarHBondContact O-N 3.06Å; I383-M386 PolarHBondContact O-N 2.93Å; E384-M386 VanDerWaalsContact C-N 3.31Å; E384-M386 PolarHBondContact O-N 3.12Å; M386-A388 VanDerWaalsContact C-N 3.35Å; M386-A388 PolarHBondContact O-N 3.33Å; M386-V389 PolarHBondContact O-N 3.43Å; M386-F390 HydrophobicContact CB-CD2 4.31Å; M386-F390 HydrophobicContact CB-CE2 4.22Å; M386-F390 HydrophobicContact CE-CE2 3.87Å; M386-F390 HydrophobicContact CE-CZ 4.44Å; M386-F390 WeakPolarHBondContact O-CB 3.42Å; M386-F390 WeakPolarHBondContact O-CD2 3.23Å; M386-F390 WeakPolarHBondContact O-CG 3.3Å; M386-F390 PolarHBondContact O-N 3.23Å; M386-I423 HydrophobicContact CG-CD1 4.07Å; M386-I423 HydrophobicContact CG-CG1 4.49Å; M386-I429 HydrophobicContact CE-CD1 4.01Å
387	A	98.9	Very high	98.6	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-61.2	-42.9	175.2	0	0	0	0	0	111.8	I322 F326 E329 I330 I383 E384 A385 V389 F390 G391	I322-A387 HydrophobicContact CG2-CB 3.81Å; F326-A387 HydrophobicContact CD2-CB 3.71Å; F326-A387 HydrophobicContact CE2-CB 4.09Å; F326-A387 HydrophobicContact CG-CB 4.37Å; E329-A387 HydrophobicContact CB-CB 4.07Å; I330-A387 HydrophobicContact CG1-CB 4.24Å; I383-A387 PolarHBondContact O-N 3.28Å; E384-A387 PolarHBondContact O-N 3.04Å; A385-A387 PolarHBondContact O-N 2.89Å; A387-V389 VanDerWaalsContact C-N 3.33Å; A387-V389 PolarHBondContact O-N 3.41Å; A387-F390 PolarHBondContact O-N 3.15Å; A387-G391 PolarHBondContact O-N 3.46Å
388	A	98.9	Very high	98.6	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-60.2	-42.6	175.8	0	0	0	0	0	112.5	I322 C362 E384 A385 M386 G392 T393 L396	I322-A388 HydrophobicContact CD1-CB 4.24Å; I322-A388 HydrophobicContact CG1-CB 3.89Å; C362-A388 HydrophobicContact CB-CB 3.91Å; E384-A388 PolarHBondContact O-N 3.15Å; A385-A388 WeakPolarHBondContact O-CB 3.45Å; A385-A388 PolarHBondContact O-N 3.34Å; M386-A388 VanDerWaalsContact C-N 3.35Å; M386-A388 PolarHBondContact O-N 3.33Å; A388-G392 PolarHBondContact O-N 3.49Å; A388-T393 HydrophobicContact CB-CG2 4.16Å; A388-T393 WeakPolarHBondContact O-CB 3.43Å; A388-T393 WeakPolarHBondContact O-CG2 3.43Å; A388-T393 PolarHBondContact O-N 3.26Å; A388-L396 HydrophobicContact CB-CD1 3.71Å; A388-L396 HydrophobicContact CB-CD2 4.34Å
389	V	98.9	Very high	98.5	Very high	4 Å²	4	17.4 Å²	17.4	2%	0.024	10%	0.095	C	C	.	.	H	α-helix	trans	-68.3	-49.7	178.8	171.9	0	0	0	0	110.7	Y111 W116 A385 M386 A387 G391 G392 L396 I423 I429	Y111-V389 HydrophobicContact CD2-CG1 4.35Å; Y111-V389 HydrophobicContact CE2-CG1 3.91Å; Y111-V389 WeakPolarHBondContact CE2-O 3.42Å; W116-V389 HydrophobicContact CD2-CG2 3.99Å; W116-V389 HydrophobicContact CE3-CG1 4.1Å; W116-V389 HydrophobicContact CE3-CG2 3.8Å; W116-V389 HydrophobicContact CH2-CB 4.43Å; W116-V389 HydrophobicContact CH2-CG1 4.05Å; W116-V389 HydrophobicContact CH2-CG2 3.45Å; W116-V389 VanDerWaalsContact CH2-CG2 3.45Å; W116-V389 HydrophobicContact CZ2-CG2 3.61Å; W116-V389 HydrophobicContact CZ3-CB 4.21Å; W116-V389 HydrophobicContact CZ3-CG1 3.54Å; W116-V389 HydrophobicContact CZ3-CG2 3.54Å; A385-V389 VanDerWaalsContact O-CG2 3.27Å; A385-V389 WeakPolarHBondContact O-CG2 3.3Å; A385-V389 PolarHBondContact O-N 3Å; M386-V389 PolarHBondContact O-N 3.43Å; A387-V389 VanDerWaalsContact C-N 3.33Å; A387-V389 PolarHBondContact O-N 3.41Å; V389-G391 PolarHBondContact O-N 2.94Å; V389-G392 PolarHBondContact O-N 3.07Å; V389-L396 HydrophobicContact CG2-CD2 4.35Å; V389-I423 HydrophobicContact CG1-CG2 4.39Å; V389-I423 HydrophobicContact CG2-CG2 4.33Å; V389-I429 HydrophobicContact CG1-CG2 3.67Å
390	F	98.9	Very high	98.3	Very high	27 Å²	27	13.5 Å²	13.5	12%	0.118	7%	0.071	C	C	.	.	H	α-helix	trans	-62.5	-33	176.7	-75.1	-51.4	0	0	0	112.9	F326 I330 M386 A387 G392 I429 P435 W436	F326-F390 HydrophobicContact CE1-CD2 4.45Å; F326-F390 AromaticContact CE2-CD2 3.98Å; F326-F390 HydrophobicContact CE2-CD2 3.98Å; F326-F390 HydrophobicContact CE2-CE2 4.32Å; F326-F390 AromaticContact CZ-CD2 3.45Å; F326-F390 HydrophobicContact CZ-CD2 3.45Å; F326-F390 VanDerWaalsContact CZ-CD2 3.45Å; F326-F390 AromaticContact CZ-CE2 3.72Å; F326-F390 HydrophobicContact CZ-CE2 3.72Å; I330-F390 HydrophobicContact CD1-CB 3.7Å; I330-F390 HydrophobicContact CD1-CD2 4.27Å; I330-F390 HydrophobicContact CD1-CG 4.35Å; I330-F390 HydrophobicContact CG1-CB 3.86Å; I330-F390 HydrophobicContact CG2-CB 4.48Å; M386-F390 HydrophobicContact CB-CD2 4.31Å; M386-F390 HydrophobicContact CB-CE2 4.22Å; M386-F390 HydrophobicContact CE-CE2 3.87Å; M386-F390 HydrophobicContact CE-CZ 4.44Å; M386-F390 WeakPolarHBondContact O-CB 3.42Å; M386-F390 WeakPolarHBondContact O-CD2 3.23Å; M386-F390 WeakPolarHBondContact O-CG 3.3Å; M386-F390 PolarHBondContact O-N 3.23Å; A387-F390 PolarHBondContact O-N 3.15Å; F390-G392 PolarHBondContact O-N 2.79Å; F390-I429 HydrophobicContact CD1-CG2 4.13Å; F390-I429 HydrophobicContact CE1-CD1 4.42Å; F390-I429 HydrophobicContact CE1-CG1 4.21Å; F390-I429 HydrophobicContact CE1-CG2 3.63Å; F390-I429 HydrophobicContact CE2-CD1 4.3Å; F390-I429 HydrophobicContact CZ-CD1 3.77Å; F390-I429 HydrophobicContact CZ-CG1 3.96Å; F390-I429 HydrophobicContact CZ-CG2 4.07Å; F390-P435 HydrophobicContact CD1-CG 3.51Å; F390-P435 HydrophobicContact CE1-CG 3.69Å; F390-W436 AromaticContact CD1-CD1 3.72Å; F390-W436 AromaticContact CD1-NE1 3.56Å; F390-W436 AromaticContact CD2-NE1 3.7Å; F390-W436 AromaticContact CG-CD1 3.73Å; F390-W436 AromaticContact CG-NE1 3.39Å
391	G	98.8	Very high	98.1	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-10.1	172.1	0	0	0	0	0	114	L333 R337 A387 V389	L333-G391 WeakPolarHBondContact CB-O 3.39Å; R337-G391 PolarHBondContact NH1-O 3.06Å; R337-G391 PolarHBondContact NH2-O 3.1Å; A387-G391 PolarHBondContact O-N 3.46Å; V389-G391 PolarHBondContact O-N 2.94Å
392	G	98.8	Very high	97.8	Very high	6 Å²	6	12.9 Å²	12.9	6%	0.062	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.9	39.5	174.1	0	0	0	0	0	115.1	Y111 A388 V389 F390 Q394	Y111-G392 VanDerWaalsContact OH-CA 3.25Å; Y111-G392 WeakPolarHBondContact OH-CA 3.31Å; A388-G392 PolarHBondContact O-N 3.49Å; V389-G392 PolarHBondContact O-N 3.07Å; F390-G392 PolarHBondContact O-N 2.79Å; G392-Q394 PolarHBondContact O-NE2 3.01Å
393	T	98.8	Very high	97.3	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.07	C	C	.	.			trans	-62.4	153.6	174.1	-166.3	0	0	0	0	115.1	Y111 W116 T360 C362 A388 S395 L396	Y111-T393 VanDerWaalsContact CE1-O 3.25Å; Y111-T393 WeakPolarHBondContact CE1-O 3.29Å; Y111-T393 VanDerWaalsContact CZ-O 3.28Å; Y111-T393 PolarHBondContact OH-N 2.97Å; Y111-T393 PolarHBondContact OH-O 3.02Å; W116-T393 HydrophobicContact CB-CG2 4.43Å; T360-T393 PolarHBondContact O-OG1 3.4Å; C362-T393 PolarHBondContact N-OG1 3.17Å; C362-T393 PolarHBondContact SG-OG1 3.19Å; A388-T393 HydrophobicContact CB-CG2 4.16Å; A388-T393 WeakPolarHBondContact O-CB 3.43Å; A388-T393 WeakPolarHBondContact O-CG2 3.43Å; A388-T393 PolarHBondContact O-N 3.26Å; T393-S395 PolarHBondContact OG1-O 3.4Å; T393-S395 VanDerWaalsContact OG1-O 3.11Å; T393-L396 HydrophobicContact CG2-CB 4.32Å
394	Q	97.9	Very high	96.7	Very high	32 Å²	32	11.8 Å²	11.8	15%	0.15	6%	0.062	C	C	.	.	S	Bend	trans	-95.1	-26	178.5	-76.6	61.7	68.2	0	0	112.9	Y107 W116 T117 T360 G392	Y107-Q394 HydrophobicContact CE2-CG 3.87Å; W116-Q394 WeakPolarHBondContact CA-O 3.23Å; T117-Q394 PolarHBondContact N-O 3.44Å; T360-Q394 WeakPolarHBondContact O-CA 3.27Å; T360-Q394 WeakPolarHBondContact O-CB 3.49Å; T360-Q394 PolarHBondContact O-N 3.33Å; G392-Q394 PolarHBondContact O-NE2 3.01Å
395	S	96.7	Very high	96.1	Very high	16 Å²	16	12.5 Å²	12.5	11%	0.112	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	149.7	171.4	56	0	0	0	0	111	T117 T360 H361 C362 T393	T117-S395 WeakPolarHBondContact O-CA 3.39Å; T117-S395 WeakPolarHBondContact O-CB 3.47Å; T360-S395 PolarHBondContact O-N 3.48Å; H361-S395 CarbonylContact C-O 3.06Å; H361-S395 VanDerWaalsContact CA-O 3.31Å; H361-S395 WeakPolarHBondContact CA-O 3.02Å; H361-S395 VanDerWaalsContact ND1-C 3.33Å; H361-S395 PolarHBondContact ND1-O 3.1Å; H361-S395 PolarHBondContact ND1-OG 3.37Å; H361-S395 VanDerWaalsContact ND1-OG 3.13Å; C362-S395 PolarHBondContact N-O 2.87Å; T393-S395 PolarHBondContact OG1-O 3.4Å; T393-S395 VanDerWaalsContact OG1-O 3.11Å
396	L	97.6	Very high	95.4	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	136	-174.2	178.2	63.4	0	0	0	111.8	T117 R119 C362 A385 A388 V389 T393 T398 Q420	T117-L396 PolarHBondContact O-N 3.42Å; T117-L396 VanDerWaalsContact O-N 3.07Å; R119-L396 CarbonylContact C-O 3.47Å; R119-L396 PolarHBondContact N-O 3.23Å; C362-L396 HydrophobicContact CB-CD1 3.89Å; C362-L396 CarbonylContact O-C 3.57Å; C362-L396 WeakPolarHBondContact O-CA 3.25Å; C362-L396 WeakPolarHBondContact O-CD1 3.4Å; A385-L396 HydrophobicContact CB-CD2 3.94Å; A388-L396 HydrophobicContact CB-CD1 3.71Å; A388-L396 HydrophobicContact CB-CD2 4.34Å; V389-L396 HydrophobicContact CG2-CD2 4.35Å; T393-L396 HydrophobicContact CG2-CB 4.32Å; L396-T398 HydrophobicContact CD2-CG2 4.15Å; L396-T398 HydrophobicContact CG-CG2 4.24Å; L396-Q420 HydrophobicContact CD2-CG 4.02Å; L396-Q420 HydrophobicContact CG-CG 4.44Å; L396-Q420 PolarHBondContact O-NE2 2.65Å; L396-Q420 PolarHBondContact O-OE1 2.97Å
397	H	97.5	Very high	94.7	Very high	7 Å²	7	13.1 Å²	13.1	3%	0.032	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	129.6	162.7	178.2	115.1	0	0	0	108.1	Y121 H361 C362 Q363 T364 N399	Y121-H397 WeakPolarHBondContact CA-ND1 3.39Å; Y121-H397 WeakPolarHBondContact CB-CE1 3.47Å; Y121-H397 WeakPolarHBondContact CB-ND1 3.43Å; Y121-H397 PolarHBondContact N-CE1 2.91Å; Y121-H397 VanDerWaalsContact N-CE1 3.29Å; Y121-H397 PolarHBondContact N-ND1 2.82Å; H361-H397 PolarHBondContact CE1-N 3Å; C362-H397 PolarHBondContact O-N 3.49Å; Q363-H397 WeakPolarHBondContact CA-O 3.48Å; Q363-H397 HydrophobicContact CB-CB 3.94Å; Q363-H397 HydrophobicContact CG-CB 3.88Å; T364-H397 PolarHBondContact N-O 3.39Å; T364-H397 VanDerWaalsContact N-O 3.15Å; H397-N399 PolarHBondContact CD2-N 3.07Å; H397-N399 PolarHBondContact CD2-OD1 3.38Å; H397-N399 PolarHBondContact NE2-OD1 3.27Å; H397-N399 VanDerWaalsContact NE2-OD1 3.16Å
398	T	98	Very high	94.1	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	9%	0.085	C	C	.	.			trans	-110.7	124.2	168.7	40.2	0	0	0	0	108.8	Q120 T364 T381 A385 L396 A416 T419 Q420	Q120-T398 PolarHBondContact NE2-O 3.32Å; Q120-T398 VanDerWaalsContact OE1-N 3.16Å; Q120-T398 PolarHBondContact OE1-OG1 2.71Å; T364-T398 HydrophobicContact CG2-CG2 4.16Å; T381-T398 HydrophobicContact CG2-CG2 3.91Å; A385-T398 HydrophobicContact CB-CG2 3.78Å; L396-T398 HydrophobicContact CD2-CG2 4.15Å; L396-T398 HydrophobicContact CG-CG2 4.24Å; T398-A416 WeakPolarHBondContact O-CB 3.19Å; T398-A416 PolarHBondContact OG1-O 3.33Å; T398-T419 HydrophobicContact CG2-CG2 4.36Å; T398-Q420 HydrophobicContact CG2-CG 3.56Å; T398-Q420 PolarHBondContact OG1-NE2 3.26Å
399	N	96.4	Very high	93.5	Very high	3 Å²	3	16.1 Å²	16.1	2%	0.016	9%	0.094	C	C	.	.			trans	-66.9	161.6	-179.5	-63.6	-18.2	0	0	0	110.6	Q363 T364 S365 G366 L369 H397 A416	Q363-N399 PolarHBondContact NE2-OD1 2.77Å; T364-N399 PolarHBondContact O-ND2 2.8Å; T364-N399 VanDerWaalsContact OG1-CG 3.26Å; T364-N399 PolarHBondContact OG1-N 3.44Å; T364-N399 PolarHBondContact OG1-ND2 3.49Å; S365-N399 PolarHBondContact O-ND2 2.93Å; G366-N399 VanDerWaalsContact CA-ND2 3.31Å; G366-N399 WeakPolarHBondContact CA-ND2 3.42Å; G366-N399 PolarHBondContact N-ND2 2.73Å; G366-N399 VanDerWaalsContact N-ND2 3.2Å; L369-N399 HydrophobicContact CD1-CB 3.54Å; H397-N399 PolarHBondContact CD2-N 3.07Å; H397-N399 PolarHBondContact CD2-OD1 3.38Å; H397-N399 PolarHBondContact NE2-OD1 3.27Å; H397-N399 VanDerWaalsContact NE2-OD1 3.16Å; N399-A416 WeakPolarHBondContact O-CB 3.49Å
400	S	95.3	Very high	92.8	Very high	4 Å²	4	21.7 Å²	21.7	3%	0.028	13%	0.128	C	C	.	.			trans	-89	153.5	175.3	-60.4	0	0	0	0	110.5	L369 D402 E403 P408 S412	L369-S400 WeakPolarHBondContact CD1-O 3.32Å; S400-D402 WeakPolarHBondContact CB-OD1 3.37Å; S400-D402 PolarHBondContact O-N 3.48Å; S400-D402 VanDerWaalsContact O-N 3.11Å; S400-E403 WeakPolarHBondContact O-CB 3.28Å; S400-E403 PolarHBondContact O-N 3.15Å; S400-P408 WeakPolarHBondContact OG-CB 3.05Å; S400-P408 WeakPolarHBondContact OG-CG 3.25Å; S400-S412 WeakPolarHBondContact CB-OG 3.5Å
401	F	95.5	Very high	92.3	Very high	9 Å²	9	26.1 Å²	26.1	4%	0.039	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-15.1	-174.3	74.9	-96.5	0	0	0	113.5	P374 Y375 N377 V378 I415 V511	P374-F401 HydrophobicContact CB-CD2 4.3Å; Y375-F401 HydrophobicContact CE1-CE2 4.35Å; Y375-F401 HydrophobicContact CE1-CZ 4.31Å; N377-F401 HydrophobicContact CB-CB 3.98Å; N377-F401 PolarHBondContact ND2-O 3.05Å; V378-F401 HydrophobicContact CG2-CB 3.8Å; V378-F401 HydrophobicContact CG2-CD1 4.41Å; V378-F401 HydrophobicContact CG2-CG 4.28Å; F401-I415 HydrophobicContact CD1-CD1 4.12Å; F401-I415 HydrophobicContact CE1-CD1 3.93Å; F401-V511 HydrophobicContact CE2-CG1 4.1Å
402	D	91.6	Very high	92.1	Very high	3 Å²	3	26.1 Å²	26.1	2%	0.016	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	9.2	179.9	51.3	-1.7	0	0	0	113.9	S400 A404 L405 G406 T409 S412	S400-D402 WeakPolarHBondContact CB-OD1 3.37Å; S400-D402 PolarHBondContact O-N 3.48Å; S400-D402 VanDerWaalsContact O-N 3.11Å; D402-A404 VanDerWaalsContact C-N 3.28Å; D402-A404 PolarHBondContact O-N 2.92Å; D402-L405 WeakPolarHBondContact O-CB 3.17Å; D402-L405 PolarHBondContact O-N 3.24Å; D402-G406 PolarHBondContact O-N 3.31Å; D402-G406 VanDerWaalsContact O-N 3.13Å; D402-T409 PolarHBondContact OD2-N 2.82Å; D402-T409 PolarHBondContact OD2-OG1 2.98Å; D402-S412 VanDerWaalsContact CG-CB 3.41Å; D402-S412 WeakPolarHBondContact OD1-CB 3.49Å; D402-S412 PolarHBondContact OD1-OG 3.36Å; D402-S412 WeakPolarHBondContact OD2-CB 3.42Å; D402-S412 PolarHBondContact OD2-OG 3.31Å
403	E	88.4	Confident	91.7	Very high	65 Å²	65	26.3 Å²	26.3	30%	0.304	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-37.3	-177	-167.9	82.8	-168	0	0	113.8	L369 S400 L405	L369-E403 HydrophobicContact CD1-CB 3.61Å; L369-E403 HydrophobicContact CD1-CG 4.24Å; S400-E403 WeakPolarHBondContact O-CB 3.28Å; S400-E403 PolarHBondContact O-N 3.15Å; E403-L405 PolarHBondContact O-N 2.83Å
404	A	87.7	Confident	91.4	Very high	16 Å²	16	33.6 Å²	33.6	13%	0.132	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-7.5	-179.5	0	0	0	0	0	113.5	E371 D402 V715	E371-A404 HydrophobicContact CB-CB 4.4Å; D402-A404 VanDerWaalsContact C-N 3.28Å; D402-A404 PolarHBondContact O-N 2.92Å; A404-V715 WeakPolarHBondContact O-CG1 3.43Å
405	L	85.8	Confident	91.3	Very high	16 Å²	16	34.4 Å²	34.4	8%	0.084	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.6	-34.9	-178.7	-70.9	163.5	0	0	0	112.2	E371 P374 D402 E403 V511 V513	E371-L405 HydrophobicContact CG-CD2 3.61Å; E371-L405 HydrophobicContact CG-CG 4.32Å; P374-L405 HydrophobicContact CG-CD1 4.5Å; D402-L405 WeakPolarHBondContact O-CB 3.17Å; D402-L405 PolarHBondContact O-N 3.24Å; E403-L405 PolarHBondContact O-N 2.83Å; L405-V511 HydrophobicContact CD1-CB 4.01Å; L405-V511 HydrophobicContact CD1-CG1 4.33Å; L405-V511 HydrophobicContact CD1-CG2 4.46Å; L405-V513 HydrophobicContact CB-CG1 4.48Å; L405-V513 HydrophobicContact CB-CG2 3.74Å; L405-V513 HydrophobicContact CD1-CG2 4.41Å; L405-V513 HydrophobicContact CD2-CG2 4.49Å; L405-V513 HydrophobicContact CG-CG2 4.47Å; L405-V513 WeakPolarHBondContact O-CG1 3.47Å
406	G	84.1	Confident	91.3	Very high	23 Å²	23	33.8 Å²	33.8	24%	0.237	18%	0.176	C	C	.	.	S	Bend	trans	171.5	-160.9	-179.6	0	0	0	0	0	112.8	D402	D402-G406 PolarHBondContact O-N 3.31Å; D402-G406 VanDerWaalsContact O-N 3.13Å
407	L	83.5	Confident	91.2	Very high	44 Å²	44	34.8 Å²	34.8	23%	0.23	18%	0.18	C	C	.	.	S	Bend	trans	-70.6	150.2	178.6	-65.7	-173.8	0	0	0	112	T409 L514 I516	L407-T409 PolarHBondContact O-N 3.31Å; L407-L514 HydrophobicContact CB-CD2 4.09Å; L407-L514 HydrophobicContact CD1-CD2 4.47Å; L407-I516 HydrophobicContact CD1-CD1 3.77Å; L407-I516 HydrophobicContact CG-CD1 4.5Å
408	P	86.5	Confident	91.2	Very high	30 Å²	30	36.7 Å²	36.7	20%	0.195	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-56.8	134.5	-179.3	-27.6	35.1	0	0	0	114.5	S400 A413	S400-P408 WeakPolarHBondContact OG-CB 3.05Å; S400-P408 WeakPolarHBondContact OG-CG 3.25Å; P408-A413 HydrophobicContact CB-CB 4.17Å
409	T	85.9	Confident	91.2	Very high	33 Å²	33	37.3 Å²	37.3	20%	0.202	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-76.1	168.1	163.9	63.8	0	0	0	0	111.8	D402 L407 K411 S412 A413 D512	D402-T409 PolarHBondContact OD2-N 2.82Å; D402-T409 PolarHBondContact OD2-OG1 2.98Å; L407-T409 PolarHBondContact O-N 3.31Å; T409-K411 PolarHBondContact O-N 3.21Å; T409-S412 PolarHBondContact N-OG 2.85Å; T409-S412 PolarHBondContact O-N 3.09Å; T409-S412 PolarHBondContact O-OG 2.7Å; T409-S412 PolarHBondContact OG1-N 2.97Å; T409-S412 PolarHBondContact OG1-OG 3.24Å; T409-A413 VanDerWaalsContact O-CB 3.25Å; T409-A413 WeakPolarHBondContact O-CB 3.41Å; T409-A413 PolarHBondContact O-N 3.35Å; T409-D512 WeakPolarHBondContact CG2-O 3.47Å
410	V	84.2	Confident	91.3	Very high	122 Å²	122	37.1 Å²	37.1	74%	0.739	19%	0.194	S	C	*	.	H	α-helix	trans	-57.6	-39.1	173.7	176.7	0	0	0	0	111.7	R414	V410-R414 WeakPolarHBondContact O-CB 3.43Å; V410-R414 PolarHBondContact O-N 3.18Å
411	K	90.2	Very high	91.4	Very high	119 Å²	119	39.1 Å²	39.1	52%	0.517	20%	0.203	S	C	.	.	H	α-helix	trans	-67.3	-49.9	179.8	-178.9	-173.4	176	-169.2	0	110.8	Y375 T409 R414 I415	Y375-K411 PolarHBondContact OH-NZ 3.13Å; T409-K411 PolarHBondContact O-N 3.21Å; K411-R414 PolarHBondContact O-N 3.2Å; K411-I415 HydrophobicContact CG-CD1 4.29Å; K411-I415 WeakPolarHBondContact O-CG1 3.03Å; K411-I415 PolarHBondContact O-N 3.02Å; K411-I415 VanDerWaalsContact O-N 3.09Å
412	S	92.8	Very high	91.6	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-68.9	-40.9	-176	71.3	0	0	0	0	112	S400 D402 T409 R414 I415 A416	S400-S412 WeakPolarHBondContact CB-OG 3.5Å; D402-S412 VanDerWaalsContact CG-CB 3.41Å; D402-S412 WeakPolarHBondContact OD1-CB 3.49Å; D402-S412 PolarHBondContact OD1-OG 3.36Å; D402-S412 WeakPolarHBondContact OD2-CB 3.42Å; D402-S412 PolarHBondContact OD2-OG 3.31Å; T409-S412 PolarHBondContact N-OG 2.85Å; T409-S412 PolarHBondContact O-N 3.09Å; T409-S412 PolarHBondContact O-OG 2.7Å; T409-S412 PolarHBondContact OG1-N 2.97Å; T409-S412 PolarHBondContact OG1-OG 3.24Å; S412-R414 VanDerWaalsContact C-N 3.29Å; S412-R414 PolarHBondContact O-N 2.93Å; S412-I415 PolarHBondContact O-N 3.35Å; S412-I415 VanDerWaalsContact O-N 3.1Å; S412-A416 PolarHBondContact O-N 3.26Å
413	A	90.8	Very high	91.9	Very high	10 Å²	10	42.8 Å²	42.8	8%	0.083	22%	0.223	C	C	.	.	H	α-helix	trans	-60.6	-36.9	173.8	0	0	0	0	0	112.7	F133 P408 T409 R417	F133-A413 HydrophobicContact CE2-CB 4.34Å; F133-A413 HydrophobicContact CZ-CB 4.1Å; P408-A413 HydrophobicContact CB-CB 4.17Å; T409-A413 VanDerWaalsContact O-CB 3.25Å; T409-A413 WeakPolarHBondContact O-CB 3.41Å; T409-A413 PolarHBondContact O-N 3.35Å; A413-R417 PolarHBondContact O-N 2.95Å
414	R	92.1	Very high	92.4	Very high	154 Å²	154	40.9 Å²	40.9	58%	0.581	21%	0.214	S	C	*	.	H	α-helix	trans	-64.8	-45.1	173.2	173.5	-178.9	161.8	132.9	-1	111.5	V410 K411 S412 R417 N418	V410-R414 WeakPolarHBondContact O-CB 3.43Å; V410-R414 PolarHBondContact O-N 3.18Å; K411-R414 PolarHBondContact O-N 3.2Å; S412-R414 VanDerWaalsContact C-N 3.29Å; S412-R414 PolarHBondContact O-N 2.93Å; R414-R417 PolarHBondContact O-N 3.33Å; R414-N418 VanDerWaalsContact O-CB 3.29Å; R414-N418 WeakPolarHBondContact O-CB 3.47Å; R414-N418 VanDerWaalsContact O-CG 3.3Å; R414-N418 PolarHBondContact O-N 3.31Å; R414-N418 PolarHBondContact O-OD1 3.35Å
415	I	96.5	Very high	92.9	Very high	49 Å²	49	47.3 Å²	47.3	25%	0.251	24%	0.241	S	C	.	.	H	α-helix	trans	-60.6	-48.6	178.3	-69.9	168.6	0	0	0	109.7	V378 F401 K411 S412 R417 N418 T419	V378-I415 HydrophobicContact CG1-CG2 4.07Å; V378-I415 HydrophobicContact CG2-CG2 4.04Å; F401-I415 HydrophobicContact CD1-CD1 4.12Å; F401-I415 HydrophobicContact CE1-CD1 3.93Å; K411-I415 HydrophobicContact CG-CD1 4.29Å; K411-I415 WeakPolarHBondContact O-CG1 3.03Å; K411-I415 PolarHBondContact O-N 3.02Å; K411-I415 VanDerWaalsContact O-N 3.09Å; S412-I415 PolarHBondContact O-N 3.35Å; S412-I415 VanDerWaalsContact O-N 3.1Å; I415-R417 PolarHBondContact O-N 3.25Å; I415-N418 PolarHBondContact O-N 2.87Å; I415-N418 VanDerWaalsContact O-N 3.14Å; I415-T419 PolarHBondContact O-N 2.95Å; I415-T419 PolarHBondContact O-OG1 3.47Å
416	A	96.3	Very high	93.5	Very high	2 Å²	2	53.7 Å²	53.7	2%	0.017	27%	0.27	C	S	.	.	H	α-helix	trans	-53.8	-52.8	176.7	0	0	0	0	0	112	T398 N399 S412 N418 T419	T398-A416 WeakPolarHBondContact O-CB 3.19Å; T398-A416 PolarHBondContact OG1-O 3.33Å; N399-A416 WeakPolarHBondContact O-CB 3.49Å; S412-A416 PolarHBondContact O-N 3.26Å; A416-N418 VanDerWaalsContact C-N 3.35Å; A416-N418 PolarHBondContact O-N 3.01Å; A416-T419 WeakPolarHBondContact O-CB 3.4Å; A416-T419 PolarHBondContact O-N 3.28Å
417	R	95.5	Very high	94.2	Very high	22 Å²	22	55.1 Å²	55.1	8%	0.083	28%	0.277	C	S	.	.	H	α-helix	trans	-59.2	-44.9	176.4	-176.8	-177.9	62.7	-133	-2.6	112.2	I118 N137 A140 A413 R414 I415 T419 Q420 I421	I118-R417 HydrophobicContact CG2-CG 4.22Å; N137-R417 PolarHBondContact OD1-NH1 3.05Å; A140-R417 VanDerWaalsContact CB-CZ 3.48Å; A140-R417 PolarHBondContact O-NE 3.21Å; A413-R417 PolarHBondContact O-N 2.95Å; R414-R417 PolarHBondContact O-N 3.33Å; I415-R417 PolarHBondContact O-N 3.25Å; R417-T419 VanDerWaalsContact C-N 3.27Å; R417-T419 PolarHBondContact O-N 2.83Å; R417-Q420 PolarHBondContact O-N 2.85Å; R417-Q420 VanDerWaalsContact O-N 3.13Å; R417-I421 HydrophobicContact CG-CD1 3.95Å; R417-I421 HydrophobicContact CG-CG1 4.48Å; R417-I421 PolarHBondContact O-N 3.1Å
418	N	97.4	Very high	94.9	Very high	47 Å²	47	54.5 Å²	54.5	25%	0.251	28%	0.281	S	S	.	.	H	α-helix	trans	-66.5	-28.6	-177.2	-78.9	11.7	0	0	0	112.6	R414 I415 A416 Q420 I421 I422	R414-N418 VanDerWaalsContact O-CB 3.29Å; R414-N418 WeakPolarHBondContact O-CB 3.47Å; R414-N418 VanDerWaalsContact O-CG 3.3Å; R414-N418 PolarHBondContact O-N 3.31Å; R414-N418 PolarHBondContact O-OD1 3.35Å; I415-N418 PolarHBondContact O-N 2.87Å; I415-N418 VanDerWaalsContact O-N 3.14Å; A416-N418 VanDerWaalsContact C-N 3.35Å; A416-N418 PolarHBondContact O-N 3.01Å; N418-Q420 VanDerWaalsContact C-N 3.25Å; N418-Q420 PolarHBondContact O-N 3.17Å; N418-I421 PolarHBondContact O-N 2.89Å; N418-I422 WeakPolarHBondContact O-CB 3.43Å; N418-I422 VanDerWaalsContact O-CG1 3.29Å; N418-I422 WeakPolarHBondContact O-CG1 3.28Å; N418-I422 PolarHBondContact O-N 2.73Å
419	T	98.7	Very high	95.5	Very high	12 Å²	12	54.6 Å²	54.6	7%	0.074	28%	0.28	C	S	.	.	H	α-helix	trans	-52	-47.5	169.8	-65.4	0	0	0	0	110.8	V382 A385 T398 I415 A416 R417 I423	V382-T419 HydrophobicContact CB-CG2 4.33Å; V382-T419 HydrophobicContact CG2-CG2 3.66Å; A385-T419 HydrophobicContact CB-CG2 4.11Å; T398-T419 HydrophobicContact CG2-CG2 4.36Å; I415-T419 PolarHBondContact O-N 2.95Å; I415-T419 PolarHBondContact O-OG1 3.47Å; A416-T419 WeakPolarHBondContact O-CB 3.4Å; A416-T419 PolarHBondContact O-N 3.28Å; R417-T419 VanDerWaalsContact C-N 3.27Å; R417-T419 PolarHBondContact O-N 2.83Å; T419-I423 HydrophobicContact CG2-CD1 4.21Å; T419-I423 WeakPolarHBondContact O-CD1 3.38Å; T419-I423 VanDerWaalsContact O-CG1 3.25Å; T419-I423 WeakPolarHBondContact O-CG1 3.34Å; T419-I423 PolarHBondContact O-N 2.8Å
420	Q	98.5	Very high	96.1	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-69.1	-41.9	178.1	-59.5	-170	48.3	0	0	112.5	W116 I118 L396 T398 R417 N418 I422 I423 Q424	W116-Q420 HydrophobicContact CZ2-CB 4.3Å; I118-Q420 HydrophobicContact CD1-CB 3.95Å; I118-Q420 HydrophobicContact CG1-CB 4.01Å; L396-Q420 HydrophobicContact CD2-CG 4.02Å; L396-Q420 HydrophobicContact CG-CG 4.44Å; L396-Q420 PolarHBondContact O-NE2 2.65Å; L396-Q420 PolarHBondContact O-OE1 2.97Å; T398-Q420 HydrophobicContact CG2-CG 3.56Å; T398-Q420 PolarHBondContact OG1-NE2 3.26Å; R417-Q420 PolarHBondContact O-N 2.85Å; R417-Q420 VanDerWaalsContact O-N 3.13Å; N418-Q420 VanDerWaalsContact C-N 3.25Å; N418-Q420 PolarHBondContact O-N 3.17Å; Q420-I422 PolarHBondContact O-N 3.35Å; Q420-I423 PolarHBondContact O-N 2.95Å; Q420-Q424 WeakPolarHBondContact O-CG 3.39Å; Q420-Q424 PolarHBondContact O-N 2.86Å
421	I	97.4	Very high	96.8	Very high	45 Å²	45	55.7 Å²	55.7	23%	0.231	27%	0.273	C	S	.	.	H	α-helix	trans	-61.1	-44.1	179.7	-63.3	172.3	0	0	0	110.7	I118 R417 N418 I423 Q424 E425	I118-I421 HydrophobicContact CD1-CG1 3.63Å; R417-I421 HydrophobicContact CG-CD1 3.95Å; R417-I421 HydrophobicContact CG-CG1 4.48Å; R417-I421 PolarHBondContact O-N 3.1Å; N418-I421 PolarHBondContact O-N 2.89Å; I421-I423 VanDerWaalsContact C-N 3.34Å; I421-I423 PolarHBondContact O-N 3.07Å; I421-Q424 PolarHBondContact O-N 3.3Å; I421-Q424 VanDerWaalsContact O-N 3.1Å; I421-E425 HydrophobicContact CG2-CG 3.99Å; I421-E425 WeakPolarHBondContact O-CB 3.43Å; I421-E425 WeakPolarHBondContact O-CG 3.38Å; I421-E425 PolarHBondContact O-N 3.48Å
422	I	98.8	Very high	97.2	Very high	82 Å²	82	54.2 Å²	54.2	42%	0.421	27%	0.274	S	S	.	.	H	α-helix	trans	-62.8	-41.8	177.9	-69.2	166	0	0	0	110.5	N418 Q420 Q424 E426 S427	N418-I422 WeakPolarHBondContact O-CB 3.43Å; N418-I422 VanDerWaalsContact O-CG1 3.29Å; N418-I422 WeakPolarHBondContact O-CG1 3.28Å; N418-I422 PolarHBondContact O-N 2.73Å; Q420-I422 PolarHBondContact O-N 3.35Å; I422-Q424 VanDerWaalsContact C-N 3.3Å; I422-Q424 PolarHBondContact O-N 3.16Å; I422-E426 HydrophobicContact CG2-CB 4.27Å; I422-E426 WeakPolarHBondContact O-CB 3.31Å; I422-E426 PolarHBondContact O-N 2.72Å; I422-S427 PolarHBondContact O-N 3.35Å; I422-S427 VanDerWaalsContact O-N 3.16Å
423	I	98.8	Very high	97.5	Very high	8 Å²	8	55.3 Å²	55.3	4%	0.041	28%	0.283	C	S	.	.	H	α-helix	trans	-62.5	-40.1	174.5	-59.6	164.5	0	0	0	110.3	W116 A385 M386 V389 T419 Q420 I421 S427 I429 P430	W116-I423 HydrophobicContact CH2-CB 3.98Å; W116-I423 HydrophobicContact CH2-CG2 3.6Å; W116-I423 HydrophobicContact CZ2-CB 4.35Å; W116-I423 HydrophobicContact CZ2-CG2 4.33Å; W116-I423 HydrophobicContact CZ3-CG2 4.47Å; A385-I423 HydrophobicContact CB-CD1 3.73Å; M386-I423 HydrophobicContact CG-CD1 4.07Å; M386-I423 HydrophobicContact CG-CG1 4.49Å; V389-I423 HydrophobicContact CG1-CG2 4.39Å; V389-I423 HydrophobicContact CG2-CG2 4.33Å; T419-I423 HydrophobicContact CG2-CD1 4.21Å; T419-I423 WeakPolarHBondContact O-CD1 3.38Å; T419-I423 VanDerWaalsContact O-CG1 3.25Å; T419-I423 WeakPolarHBondContact O-CG1 3.34Å; T419-I423 PolarHBondContact O-N 2.8Å; Q420-I423 PolarHBondContact O-N 2.95Å; I421-I423 VanDerWaalsContact C-N 3.34Å; I421-I423 PolarHBondContact O-N 3.07Å; I423-S427 PolarHBondContact O-OG 3.2Å; I423-I429 HydrophobicContact CG2-CB 4.48Å; I423-I429 HydrophobicContact CG2-CD1 4.2Å; I423-P430 WeakPolarHBondContact O-CD 3.42Å
424	Q	98.6	Very high	97.9	Very high	25 Å²	25	55.3 Å²	55.3	12%	0.117	28%	0.281	C	S	.	.	H	α-helix	trans	-67	-49.3	178.9	-72.3	-177.4	-7.7	0	0	113.1	P115 W116 Q420 I421 I422	P115-Q424 HydrophobicContact CB-CG 3.96Å; P115-Q424 HydrophobicContact CG-CG 4.3Å; W116-Q424 HydrophobicContact CH2-CB 4.43Å; W116-Q424 HydrophobicContact CH2-CG 3.37Å; W116-Q424 HydrophobicContact CZ2-CG 3.48Å; W116-Q424 VanDerWaalsContact CZ2-CG 3.48Å; W116-Q424 HydrophobicContact CZ3-CG 3.94Å; W116-Q424 PolarHBondContact O-NE2 2.96Å; Q420-Q424 WeakPolarHBondContact O-CG 3.39Å; Q420-Q424 PolarHBondContact O-N 2.86Å; I421-Q424 PolarHBondContact O-N 3.3Å; I421-Q424 VanDerWaalsContact O-N 3.1Å; I422-Q424 VanDerWaalsContact C-N 3.3Å; I422-Q424 PolarHBondContact O-N 3.16Å
425	E	98.4	Very high	98.2	Very high	150 Å²	150	51 Å²	51	70%	0.701	27%	0.273	S	S	*	.	H	α-helix	trans	-99.8	-29	-162.2	-59	-71	179.8	0	0	113.2	I421	I421-E425 HydrophobicContact CG2-CG 3.99Å; I421-E425 WeakPolarHBondContact O-CB 3.43Å; I421-E425 WeakPolarHBondContact O-CG 3.38Å; I421-E425 PolarHBondContact O-N 3.48Å
426	E	98.8	Very high	98.3	Very high	150 Å²	150	51.8 Å²	51.8	70%	0.701	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.3	-36	-171.5	-60.1	-179.4	-153.4	0	0	113.1	I422 G428	I422-E426 HydrophobicContact CG2-CB 4.27Å; I422-E426 WeakPolarHBondContact O-CB 3.31Å; I422-E426 PolarHBondContact O-N 2.72Å; E426-G428 VanDerWaalsContact C-N 3.34Å; E426-G428 PolarHBondContact O-N 3.46Å
427	S	98.8	Very high	98.4	Very high	54 Å²	54	52.7 Å²	52.7	38%	0.378	28%	0.283	S	S	.	.	S	Bend	trans	-72.7	-21.8	-168.9	80.7	0	0	0	0	115.3	I422 I423 I429	I422-S427 PolarHBondContact O-N 3.35Å; I422-S427 VanDerWaalsContact O-N 3.16Å; I423-S427 PolarHBondContact O-OG 3.2Å; S427-I429 PolarHBondContact O-N 3.07Å; S427-I429 VanDerWaalsContact OG-CB 3.29Å; S427-I429 WeakPolarHBondContact OG-CB 3.26Å; S427-I429 WeakPolarHBondContact OG-CG1 3.27Å; S427-I429 PolarHBondContact OG-N 2.93Å; S427-I429 VanDerWaalsContact OG-N 3.09Å
428	G	98.8	Very high	98.5	Very high	31 Å²	31	54 Å²	54	32%	0.32	30%	0.303	S	S	.	.			trans	72	-6.5	-171.4	0	0	0	0	0	115.5	E426 P430 K431	E426-G428 VanDerWaalsContact C-N 3.34Å; E426-G428 PolarHBondContact O-N 3.46Å; G428-P430 VanDerWaalsContact C-CD 3.41Å; G428-P430 VanDerWaalsContact C-N 3.34Å; G428-K431 WeakPolarHBondContact O-CB 3.38Å; G428-K431 WeakPolarHBondContact O-CG 3.34Å; G428-K431 PolarHBondContact O-N 3.11Å; G428-K431 VanDerWaalsContact O-N 3.11Å
429	I	98.8	Very high	98.5	Very high	32 Å²	32	53.5 Å²	53.5	16%	0.164	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-52.5	-41.7	179.6	-69.3	168.2	0	0	0	113.2	M386 V389 F390 I423 S427 K431	M386-I429 HydrophobicContact CE-CD1 4.01Å; V389-I429 HydrophobicContact CG1-CG2 3.67Å; F390-I429 HydrophobicContact CD1-CG2 4.13Å; F390-I429 HydrophobicContact CE1-CD1 4.42Å; F390-I429 HydrophobicContact CE1-CG1 4.21Å; F390-I429 HydrophobicContact CE1-CG2 3.63Å; F390-I429 HydrophobicContact CE2-CD1 4.3Å; F390-I429 HydrophobicContact CZ-CD1 3.77Å; F390-I429 HydrophobicContact CZ-CG1 3.96Å; F390-I429 HydrophobicContact CZ-CG2 4.07Å; I423-I429 HydrophobicContact CG2-CB 4.48Å; I423-I429 HydrophobicContact CG2-CD1 4.2Å; S427-I429 PolarHBondContact O-N 3.07Å; S427-I429 VanDerWaalsContact OG-CB 3.29Å; S427-I429 WeakPolarHBondContact OG-CB 3.26Å; S427-I429 WeakPolarHBondContact OG-CG1 3.27Å; S427-I429 PolarHBondContact OG-N 2.93Å; S427-I429 VanDerWaalsContact OG-N 3.09Å; I429-K431 PolarHBondContact O-N 2.59Å
430	P	98.8	Very high	98.5	Very high	12 Å²	12	56 Å²	56	8%	0.078	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-64.6	-11.1	-179.1	-24.9	35.9	0	0	0	115.7	Y111 T112 W116 I423 G428 V432	Y111-P430 CarbonylContact C-O 3.49Å; T112-P430 WeakPolarHBondContact CA-O 3.15Å; T112-P430 PolarHBondContact N-O 3.29Å; W116-P430 HydrophobicContact CZ3-CG 4.18Å; I423-P430 WeakPolarHBondContact O-CD 3.42Å; G428-P430 VanDerWaalsContact C-CD 3.41Å; G428-P430 VanDerWaalsContact C-N 3.34Å; P430-V432 VanDerWaalsContact C-N 3.31Å; P430-V432 PolarHBondContact O-N 3.07Å
431	K	98.8	Very high	98.5	Very high	166 Å²	166	57.4 Å²	57.4	72%	0.722	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-78.2	-9.2	-171	-63.6	-177.3	178	177.3	0	114.5	G428 I429	G428-K431 WeakPolarHBondContact O-CB 3.38Å; G428-K431 WeakPolarHBondContact O-CG 3.34Å; G428-K431 PolarHBondContact O-N 3.11Å; G428-K431 VanDerWaalsContact O-N 3.11Å; I429-K431 PolarHBondContact O-N 2.59Å
432	V	98.9	Very high	98.6	Very high	88 Å²	88	55.2 Å²	55.2	53%	0.533	31%	0.31	S	S	.	.	S	Bend	trans	-131.5	130	177.3	-179.2	0	0	0	0	109.7	P430 P435	P430-V432 VanDerWaalsContact C-N 3.31Å; P430-V432 PolarHBondContact O-N 3.07Å; V432-P435 HydrophobicContact CB-CB 4.35Å; V432-P435 HydrophobicContact CG1-CB 4.18Å
433	A	98.8	Very high	98.6	Very high	23 Å²	23	52.3 Å²	52.3	19%	0.19	29%	0.294	C	S	.	.	S	Bend	trans	-77.5	131.8	176.2	0	0	0	0	0	111.1	P97 M110	P97-A433 HydrophobicContact CG-CB 4.19Å; M110-A433 HydrophobicContact CB-CB 3.95Å; M110-A433 HydrophobicContact CG-CB 4.07Å
434	D	98.7	Very high	98.5	Very high	10 Å²	10	52.5 Å²	52.5	5%	0.053	30%	0.297	C	S	.	.	S	Bend	trans	41	64.7	-176.1	-172.3	44.4	0	0	0	113	R104 R334 W436 G437	R104-D434 HydrophobicContact CB-CB 3.87Å; R104-D434 WeakPolarHBondContact CB-OD2 3.41Å; R104-D434 VanDerWaalsContact CG-OD2 3.23Å; R104-D434 WeakPolarHBondContact CG-OD2 3.19Å; R104-D434 IonicContact CZ-OD2 3.43Å; R104-D434 IonicContact NE-OD2 3.54Å; R104-D434 PolarHBondContact NE-OD2 3.38Å; R104-D434 PolarHBondContact NH2-O 3.05Å; R104-D434 IonicContact NH2-OD2 2.69Å; R104-D434 WeakPolarHBondContact O-CB 3.29Å; R334-D434 IonicContact CZ-OD2 2.97Å; R334-D434 IonicContact NE-OD1 3.84Å; R334-D434 PolarHBondContact NE-OD1 3.34Å; R334-D434 IonicContact NE-OD2 2.8Å; R334-D434 IonicContact NH2-OD2 3.32Å; R334-D434 PolarHBondContact NH2-OD2 2.61Å; D434-W436 PolarHBondContact O-N 2.96Å; D434-G437 PolarHBondContact O-N 3.09Å; D434-G437 WeakPolarHBondContact OD2-CA 3.47Å
435	P	98.8	Very high	98.5	Very high	63 Å²	63	51.4 Å²	51.4	41%	0.409	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-14	-172.1	28.6	-36.4	0	0	0	113.3	F390 V432	F390-P435 HydrophobicContact CD1-CG 3.51Å; F390-P435 HydrophobicContact CE1-CG 3.69Å; V432-P435 HydrophobicContact CB-CB 4.35Å; V432-P435 HydrophobicContact CG1-CB 4.18Å
436	W	98.7	Very high	98.5	Very high	65 Å²	65	44.2 Å²	44.2	25%	0.246	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-11	173.6	-73.3	95.1	0	0	0	114	F326 Y327 F390 D434 G438 S439 M442	F326-W436 AromaticContact CE1-CZ2 3.89Å; F326-W436 HydrophobicContact CE1-CZ2 3.89Å; F326-W436 HydrophobicContact CZ-CZ2 4.48Å; Y327-W436 AromaticContact CE1-CH2 3.9Å; Y327-W436 HydrophobicContact CE1-CH2 3.9Å; Y327-W436 HydrophobicContact CE1-CZ2 4.46Å; Y327-W436 HydrophobicContact CE1-CZ3 4.43Å; F390-W436 AromaticContact CD1-CD1 3.72Å; F390-W436 AromaticContact CD1-NE1 3.56Å; F390-W436 AromaticContact CD2-NE1 3.7Å; F390-W436 AromaticContact CG-CD1 3.73Å; F390-W436 AromaticContact CG-NE1 3.39Å; D434-W436 PolarHBondContact O-N 2.96Å; W436-G438 PolarHBondContact O-N 3.25Å; W436-S439 WeakPolarHBondContact O-CB 3.29Å; W436-S439 PolarHBondContact O-N 3.41Å; W436-M442 HydrophobicContact CB-CB 4.39Å; W436-M442 HydrophobicContact CB-CG 4Å; W436-M442 HydrophobicContact CD2-CE 4.19Å; W436-M442 HydrophobicContact CE3-CB 4.43Å; W436-M442 HydrophobicContact CE3-CE 4.18Å; W436-M442 HydrophobicContact CG-CE 4.47Å
437	G	98.3	Very high	98.4	Very high	22 Å²	22	38.8 Å²	38.8	23%	0.227	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	129.4	-177.5	0	0	0	0	0	111.7	R104 D434 E443	R104-G437 VanDerWaalsContact NH2-CA 3.33Å; D434-G437 PolarHBondContact O-N 3.09Å; D434-G437 WeakPolarHBondContact OD2-CA 3.47Å; G437-E443 VanDerWaalsContact CA-OE1 3.3Å; G437-E443 WeakPolarHBondContact CA-OE1 3.41Å
438	G	96.8	Very high	98.4	Very high	50 Å²	50	39 Å²	39	52%	0.515	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.4	-11.1	-170.6	0	0	0	0	0	115.2	W436 H440 E443	W436-G438 PolarHBondContact O-N 3.25Å; G438-H440 PolarHBondContact O-N 3.02Å; G438-E443 PolarHBondContact N-OE1 3.3Å
439	S	98.5	Very high	98.4	Very high	36 Å²	36	37.5 Å²	37.5	25%	0.252	22%	0.216	S	C	.	.			trans	-60.5	119.4	168.8	166	0	0	0	0	109.9	W436 M441 M442 E443	W436-S439 WeakPolarHBondContact O-CB 3.29Å; W436-S439 PolarHBondContact O-N 3.41Å; S439-M441 PolarHBondContact O-N 3.35Å; S439-M442 PolarHBondContact O-N 3.39Å; S439-M442 PolarHBondContact OG-N 2.79Å; S439-E443 WeakPolarHBondContact O-CG 3.4Å; S439-E443 PolarHBondContact O-N 3.16Å
440	H	98.1	Very high	98.4	Very high	65 Å²	65	37.6 Å²	37.6	30%	0.301	21%	0.214	S	C	.	.	H	α-helix	trans	-52.7	-43.9	-177.1	-53.8	-47	0	0	0	112.6	T85 K86 S89 G438 A444	T85-H440 VanDerWaalsContact C-CG 3.41Å; T85-H440 WeakPolarHBondContact O-CB 3.28Å; T85-H440 PolarHBondContact O-ND1 3.39Å; K86-H440 VanDerWaalsContact CA-CE1 3.48Å; K86-H440 WeakPolarHBondContact CA-CE1 3.38Å; K86-H440 PolarHBondContact N-NE2 2.88Å; S89-H440 PolarHBondContact OG-ND1 2.89Å; G438-H440 PolarHBondContact O-N 3.02Å; H440-A444 WeakPolarHBondContact O-CB 3.49Å; H440-A444 PolarHBondContact O-N 3.2Å
441	M	98.4	Very high	98.3	Very high	28 Å²	28	40.6 Å²	40.6	14%	0.138	23%	0.23	C	C	.	.	H	α-helix	trans	-68.3	-45.2	178.1	-179	-85.8	-73.6	0	0	111.8	Y84 Y327 S439 E443 A444 L445	Y84-M441 HydrophobicContact CD1-CB 4.44Å; Y84-M441 HydrophobicContact CD2-CB 3.39Å; Y84-M441 HydrophobicContact CD2-CG 3.46Å; Y84-M441 VanDerWaalsContact CD2-CG 3.46Å; Y84-M441 HydrophobicContact CE2-CB 3.86Å; Y84-M441 HydrophobicContact CE2-CG 3.39Å; Y84-M441 HydrophobicContact CG-CB 3.71Å; Y84-M441 HydrophobicContact CG-CG 4.21Å; Y327-M441 HydrophobicContact CD1-CE 3.42Å; Y327-M441 VanDerWaalsContact CD1-CE 3.42Å; Y327-M441 HydrophobicContact CD2-CE 3.99Å; Y327-M441 HydrophobicContact CE1-CE 3.71Å; Y327-M441 HydrophobicContact CE2-CE 4.24Å; Y327-M441 HydrophobicContact CG-CE 3.57Å; Y327-M441 HydrophobicContact CG-SD 4.4Å; S439-M441 PolarHBondContact O-N 3.35Å; M441-E443 PolarHBondContact O-N 2.8Å; M441-A444 PolarHBondContact O-N 2.9Å; M441-L445 WeakPolarHBondContact O-CB 3.39Å; M441-L445 PolarHBondContact O-N 2.89Å; M441-L445 HydrophobicContact SD-CB 4.4Å; M441-L445 HydrophobicContact SD-CD2 4.2Å
442	M	98.8	Very high	98.3	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-69.6	-37.1	-173.6	-170.1	58.4	65.7	0	0	111.4	Y327 I330 A331 R334 W436 S439 T446	Y327-M442 HydrophobicContact CD1-CE 3.98Å; I330-M442 HydrophobicContact CB-CE 3.82Å; I330-M442 HydrophobicContact CB-SD 3.93Å; I330-M442 HydrophobicContact CD1-CE 4.09Å; I330-M442 HydrophobicContact CG2-CE 3.74Å; I330-M442 HydrophobicContact CG2-CG 4.28Å; I330-M442 HydrophobicContact CG2-SD 3.61Å; A331-M442 HydrophobicContact CB-SD 4.03Å; R334-M442 PolarHBondContact NH1-O 2.95Å; W436-M442 HydrophobicContact CB-CB 4.39Å; W436-M442 HydrophobicContact CB-CG 4Å; W436-M442 HydrophobicContact CD2-CE 4.19Å; W436-M442 HydrophobicContact CE3-CB 4.43Å; W436-M442 HydrophobicContact CE3-CE 4.18Å; W436-M442 HydrophobicContact CG-CE 4.47Å; S439-M442 PolarHBondContact O-N 3.39Å; S439-M442 PolarHBondContact OG-N 2.79Å; M442-T446 VanDerWaalsContact O-CB 3.24Å; M442-T446 WeakPolarHBondContact O-CB 3.11Å; M442-T446 PolarHBondContact O-N 3.1Å; M442-T446 PolarHBondContact O-OG1 3.28Å
443	E	98.4	Very high	98.3	Very high	20 Å²	20	29.8 Å²	29.8	9%	0.093	18%	0.178	C	C	.	.	H	α-helix	trans	-70.8	-35.7	175.2	-57.7	-59.1	176.8	0	0	112.9	K92 R334 G437 G438 S439 M441 D447	K92-E443 HydrophobicContact CD-CB 4.3Å; K92-E443 HydrophobicContact CG-CB 4.2Å; K92-E443 PolarHBondContact NZ-O 2.87Å; R334-E443 IonicContact CZ-OE1 3.19Å; R334-E443 IonicContact CZ-OE2 3.93Å; R334-E443 IonicContact NH1-OE1 2.76Å; R334-E443 IonicContact NH1-OE2 2.87Å; R334-E443 PolarHBondContact NH1-OE2 3.46Å; R334-E443 IonicContact NH2-OE1 3.42Å; R334-E443 PolarHBondContact NH2-OE1 3.16Å; R334-E443 IonicContact NH2-OE2 3.84Å; R334-E443 PolarHBondContact NH2-OE2 2.8Å; G437-E443 VanDerWaalsContact CA-OE1 3.3Å; G437-E443 WeakPolarHBondContact CA-OE1 3.41Å; G438-E443 PolarHBondContact N-OE1 3.3Å; S439-E443 WeakPolarHBondContact O-CG 3.4Å; S439-E443 PolarHBondContact O-N 3.16Å; M441-E443 PolarHBondContact O-N 2.8Å; E443-D447 PolarHBondContact O-N 2.89Å
444	A	97.1	Very high	98.3	Very high	13 Å²	13	30.5 Å²	30.5	11%	0.107	18%	0.179	C	C	.	.	H	α-helix	trans	-65.4	-51.3	172.7	0	0	0	0	0	111	Y84 H440 M441 T446 D447 D448	Y84-A444 HydrophobicContact CD1-CB 3.88Å; Y84-A444 HydrophobicContact CE1-CB 3.53Å; H440-A444 WeakPolarHBondContact O-CB 3.49Å; H440-A444 PolarHBondContact O-N 3.2Å; M441-A444 PolarHBondContact O-N 2.9Å; A444-T446 VanDerWaalsContact C-N 3.31Å; A444-T446 PolarHBondContact O-N 2.74Å; A444-D447 WeakPolarHBondContact O-CB 3.36Å; A444-D447 PolarHBondContact O-N 2.83Å; A444-D448 PolarHBondContact O-N 3.47Å
445	L	98.3	Very high	98.2	Very high	1 Å²	1	36 Å²	36	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-62	-37.2	-179.5	-175.3	59.8	0	0	0	112.6	L78 I80 M328 A331 M441 D447 D448 V449	L78-L445 HydrophobicContact CD1-CD1 4.08Å; I80-L445 HydrophobicContact CD1-CD1 4Å; I80-L445 HydrophobicContact CD1-CD2 4.1Å; I80-L445 HydrophobicContact CG1-CD1 4.09Å; M328-L445 HydrophobicContact CE-CD1 3.9Å; M328-L445 HydrophobicContact SD-CD1 4.16Å; A331-L445 HydrophobicContact CB-CB 4.2Å; A331-L445 HydrophobicContact CB-CD2 3.89Å; A331-L445 HydrophobicContact CB-CG 3.65Å; M441-L445 WeakPolarHBondContact O-CB 3.39Å; M441-L445 PolarHBondContact O-N 2.89Å; M441-L445 HydrophobicContact SD-CB 4.4Å; M441-L445 HydrophobicContact SD-CD2 4.2Å; L445-D447 VanDerWaalsContact C-N 3.3Å; L445-D447 PolarHBondContact O-N 3.15Å; L445-D448 PolarHBondContact O-N 3.37Å; L445-V449 HydrophobicContact CD1-CG2 4.44Å; L445-V449 WeakPolarHBondContact O-CB 3.36Å; L445-V449 VanDerWaalsContact O-CG2 3.28Å; L445-V449 WeakPolarHBondContact O-CG2 3.12Å; L445-V449 PolarHBondContact O-N 2.77Å
446	T	98.8	Very high	98.2	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-62.2	-38.3	175.1	-62.6	0	0	0	0	111.7	T103 R334 A335 M442 A444 Y450	T103-T446 HydrophobicContact CG2-CG2 3.97Å; R334-T446 HydrophobicContact CB-CG2 3.74Å; R334-T446 PolarHBondContact NH1-OG1 3.2Å; A335-T446 HydrophobicContact CB-CG2 4.09Å; A335-T446 WeakPolarHBondContact CB-O 3.43Å; M442-T446 VanDerWaalsContact O-CB 3.24Å; M442-T446 WeakPolarHBondContact O-CB 3.11Å; M442-T446 PolarHBondContact O-N 3.1Å; M442-T446 PolarHBondContact O-OG1 3.28Å; A444-T446 VanDerWaalsContact C-N 3.31Å; A444-T446 PolarHBondContact O-N 2.74Å; T446-Y450 VanDerWaalsContact O-CB 3.29Å; T446-Y450 WeakPolarHBondContact O-CB 3.12Å; T446-Y450 PolarHBondContact O-N 2.97Å
447	D	97.8	Very high	98.1	Very high	36 Å²	36	31.7 Å²	31.7	19%	0.193	18%	0.179	C	C	.	.	H	α-helix	trans	-71.3	-40.3	175.9	-79.9	24.4	0	0	0	111.9	K92 R338 E443 A444 L445 V449 Y450 N451	K92-D447 IonicContact NZ-OD1 3.83Å; K92-D447 IonicContact NZ-OD2 2.77Å; K92-D447 PolarHBondContact NZ-OD2 2.89Å; R338-D447 IonicContact CZ-OD1 2.74Å; R338-D447 IonicContact NH1-OD1 2.98Å; R338-D447 PolarHBondContact NH1-OD1 3.03Å; R338-D447 IonicContact NH2-OD1 2.83Å; E443-D447 PolarHBondContact O-N 2.89Å; A444-D447 WeakPolarHBondContact O-CB 3.36Å; A444-D447 PolarHBondContact O-N 2.83Å; L445-D447 VanDerWaalsContact C-N 3.3Å; L445-D447 PolarHBondContact O-N 3.15Å; D447-V449 VanDerWaalsContact C-N 3.35Å; D447-V449 PolarHBondContact O-N 2.78Å; D447-Y450 PolarHBondContact O-N 3.5Å; D447-N451 VanDerWaalsContact O-CB 3.32Å; D447-N451 WeakPolarHBondContact O-CB 3.46Å; D447-N451 PolarHBondContact O-N 2.8Å; D447-N451 PolarHBondContact O-ND2 2.87Å
448	D	97.6	Very high	98.1	Very high	58 Å²	58	34 Å²	34	31%	0.31	19%	0.185	S	C	.	.	H	α-helix	trans	-62.4	-43.6	177.4	-67.5	-23.4	0	0	0	111.4	L78 A444 L445 T452	L78-D448 HydrophobicContact CD1-CB 4.04Å; L78-D448 HydrophobicContact CD2-CB 4.2Å; A444-D448 PolarHBondContact O-N 3.47Å; L445-D448 PolarHBondContact O-N 3.37Å; D448-T452 VanDerWaalsContact O-CB 3.28Å; D448-T452 WeakPolarHBondContact O-CB 3.34Å; D448-T452 PolarHBondContact O-N 3.08Å; D448-T452 PolarHBondContact O-OG1 2.84Å
449	V	98.8	Very high	98.1	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-62.4	-47.2	173.3	172.7	0	0	0	0	110.9	L78 I285 M328 A331 A335 L445 D447 T452 A453	L78-V449 HydrophobicContact CD1-CG2 3.97Å; I285-V449 HydrophobicContact CD1-CB 4.12Å; I285-V449 HydrophobicContact CD1-CG1 3.96Å; I285-V449 HydrophobicContact CD1-CG2 4.02Å; M328-V449 HydrophobicContact SD-CG2 3.55Å; M328-V449 VanDerWaalsContact SD-CG2 3.55Å; A331-V449 HydrophobicContact CB-CG2 4.23Å; A335-V449 HydrophobicContact CB-CB 4.03Å; A335-V449 HydrophobicContact CB-CG1 3.67Å; L445-V449 HydrophobicContact CD1-CG2 4.44Å; L445-V449 WeakPolarHBondContact O-CB 3.36Å; L445-V449 VanDerWaalsContact O-CG2 3.28Å; L445-V449 WeakPolarHBondContact O-CG2 3.12Å; L445-V449 PolarHBondContact O-N 2.77Å; D447-V449 VanDerWaalsContact C-N 3.35Å; D447-V449 PolarHBondContact O-N 2.78Å; V449-T452 PolarHBondContact O-N 2.7Å; V449-A453 VanDerWaalsContact O-CB 3.23Å; V449-A453 WeakPolarHBondContact O-CB 3.3Å; V449-A453 PolarHBondContact O-N 3.43Å
450	Y	98.8	Very high	98	Very high	33 Å²	33	33.4 Å²	33.4	13%	0.129	17%	0.166	C	C	.	.	H	α-helix	trans	-57.1	-52.2	177.8	174.2	-83	0	0	0	111.6	R338 L339 T446 D447 T452 L454	R338-Y450 HydrophobicContact CB-CD2 4.12Å; R338-Y450 HydrophobicContact CB-CE2 4.24Å; R338-Y450 HydrophobicContact CG-CD2 3.95Å; R338-Y450 HydrophobicContact CG-CE2 3.74Å; L339-Y450 HydrophobicContact CB-CD2 3.73Å; L339-Y450 HydrophobicContact CB-CE2 3.76Å; L339-Y450 HydrophobicContact CD1-CD2 4.12Å; L339-Y450 HydrophobicContact CD1-CE2 4.34Å; L339-Y450 HydrophobicContact CG-CD2 4.31Å; L339-Y450 HydrophobicContact CG-CE2 4.2Å; T446-Y450 VanDerWaalsContact O-CB 3.29Å; T446-Y450 WeakPolarHBondContact O-CB 3.12Å; T446-Y450 PolarHBondContact O-N 2.97Å; D447-Y450 PolarHBondContact O-N 3.5Å; Y450-T452 PolarHBondContact O-N 3.02Å; Y450-L454 HydrophobicContact CE1-CD2 3.92Å; Y450-L454 VanDerWaalsContact O-CB 3.24Å; Y450-L454 WeakPolarHBondContact O-CB 3.36Å; Y450-L454 PolarHBondContact O-N 3.21Å
451	N	98.3	Very high	98	Very high	76 Å²	76	32 Å²	32	41%	0.406	16%	0.159	S	C	.	.	H	α-helix	trans	-65.4	-40.9	-175.4	-72.6	-36.3	0	0	0	111.2	D447 K455	D447-N451 VanDerWaalsContact O-CB 3.32Å; D447-N451 WeakPolarHBondContact O-CB 3.46Å; D447-N451 PolarHBondContact O-N 2.8Å; D447-N451 PolarHBondContact O-ND2 2.87Å; N451-K455 WeakPolarHBondContact O-CG 3.29Å; N451-K455 PolarHBondContact O-N 2.84Å
452	T	98	Very high	97.9	Very high	27 Å²	27	38.7 Å²	38.7	17%	0.166	19%	0.19	C	C	.	.	H	α-helix	trans	-73.1	-43.6	-178.3	-50.4	0	0	0	0	111.3	I285 D448 V449 Y450 L454 K455 F456	I285-T452 HydrophobicContact CG1-CG2 4.37Å; I285-T452 HydrophobicContact CG2-CG2 3.72Å; D448-T452 VanDerWaalsContact O-CB 3.28Å; D448-T452 WeakPolarHBondContact O-CB 3.34Å; D448-T452 PolarHBondContact O-N 3.08Å; D448-T452 PolarHBondContact O-OG1 2.84Å; V449-T452 PolarHBondContact O-N 2.7Å; Y450-T452 PolarHBondContact O-N 3.02Å; T452-L454 VanDerWaalsContact C-N 3.32Å; T452-L454 PolarHBondContact O-N 2.86Å; T452-K455 WeakPolarHBondContact O-CB 3.36Å; T452-K455 PolarHBondContact O-N 2.94Å; T452-F456 HydrophobicContact CG2-CE2 4.16Å; T452-F456 WeakPolarHBondContact O-CD2 3.06Å; T452-F456 PolarHBondContact O-N 3.21Å
453	A	98.6	Very high	97.6	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-63	-39	174.9	0	0	0	0	0	111.9	I285 V288 A289 L339 V449 K455 F456 I457	I285-A453 HydrophobicContact CG2-CB 4.46Å; V288-A453 HydrophobicContact CB-CB 4.1Å; V288-A453 HydrophobicContact CG1-CB 3.7Å; A289-A453 HydrophobicContact CB-CB 4.37Å; L339-A453 HydrophobicContact CD1-CB 4.07Å; V449-A453 VanDerWaalsContact O-CB 3.23Å; V449-A453 WeakPolarHBondContact O-CB 3.3Å; V449-A453 PolarHBondContact O-N 3.43Å; A453-K455 VanDerWaalsContact C-N 3.31Å; A453-K455 PolarHBondContact O-N 3.26Å; A453-F456 PolarHBondContact O-N 3Å; A453-I457 WeakPolarHBondContact O-CG1 3.28Å; A453-I457 PolarHBondContact O-N 3.09Å
454	L	98.5	Very high	97.4	Very high	38 Å²	38	42.2 Å²	42.2	20%	0.199	22%	0.22	C	C	.	.	H	α-helix	trans	-61.6	-37.5	177.2	-177.4	60.7	0	0	0	112.3	L339 L343 Y450 T452 I457 N458	L339-L454 HydrophobicContact CD1-CB 4.01Å; L343-L454 HydrophobicContact CD2-CD1 4.26Å; Y450-L454 HydrophobicContact CE1-CD2 3.92Å; Y450-L454 VanDerWaalsContact O-CB 3.24Å; Y450-L454 WeakPolarHBondContact O-CB 3.36Å; Y450-L454 PolarHBondContact O-N 3.21Å; T452-L454 VanDerWaalsContact C-N 3.32Å; T452-L454 PolarHBondContact O-N 2.86Å; L454-I457 PolarHBondContact O-N 2.76Å; L454-N458 VanDerWaalsContact O-CG 3.27Å; L454-N458 PolarHBondContact O-N 3.24Å; L454-N458 PolarHBondContact O-ND2 3.21Å
455	K	97.9	Very high	97.3	Very high	125 Å²	125	41.6 Å²	41.6	54%	0.543	22%	0.215	S	C	.	.	H	α-helix	trans	-58	-50	174.3	-70.6	169.3	-174.3	175.5	0	111.1	N451 T452 A453 I457 N458 E459	N451-K455 WeakPolarHBondContact O-CG 3.29Å; N451-K455 PolarHBondContact O-N 2.84Å; T452-K455 WeakPolarHBondContact O-CB 3.36Å; T452-K455 PolarHBondContact O-N 2.94Å; A453-K455 VanDerWaalsContact C-N 3.31Å; A453-K455 PolarHBondContact O-N 3.26Å; K455-I457 VanDerWaalsContact C-N 3.34Å; K455-I457 PolarHBondContact O-N 3.49Å; K455-N458 PolarHBondContact O-N 2.92Å; K455-E459 PolarHBondContact O-N 2.82Å
456	F	97.1	Very high	97.2	Very high	38 Å²	38	41.6 Å²	41.6	17%	0.167	22%	0.215	C	C	.	.	H	α-helix	trans	-64.8	-36.3	178.1	-74	-65.1	0	0	0	113.1	I285 L286 A289 T452 A453 N458 E459 I460	I285-F456 HydrophobicContact CG2-CD2 3.58Å; I285-F456 HydrophobicContact CG2-CE2 3.66Å; L286-F456 HydrophobicContact CD2-CE2 4.46Å; L286-F456 HydrophobicContact CD2-CZ 4.42Å; A289-F456 HydrophobicContact CB-CB 3.66Å; T452-F456 HydrophobicContact CG2-CE2 4.16Å; T452-F456 WeakPolarHBondContact O-CD2 3.06Å; T452-F456 PolarHBondContact O-N 3.21Å; A453-F456 PolarHBondContact O-N 3Å; F456-N458 VanDerWaalsContact C-N 3.35Å; F456-E459 PolarHBondContact O-N 2.9Å; F456-I460 WeakPolarHBondContact O-CD1 3.49Å; F456-I460 VanDerWaalsContact O-CG1 3.3Å; F456-I460 WeakPolarHBondContact O-CG1 3.41Å; F456-I460 PolarHBondContact O-N 2.9Å
457	I	98.3	Very high	96.8	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-64	-43.2	175.1	-69	167.9	0	0	0	110.6	A289 I292 L296 L339 L343 A453 L454 K455 E459 I460 E461	A289-I457 HydrophobicContact CB-CG1 4.02Å; A289-I457 WeakPolarHBondContact O-CG1 3.49Å; I292-I457 HydrophobicContact CB-CD1 3.88Å; I292-I457 HydrophobicContact CG2-CD1 3.89Å; L296-I457 HydrophobicContact CD1-CG2 4.23Å; L339-I457 HydrophobicContact CD1-CD1 4.07Å; L339-I457 HydrophobicContact CD2-CD1 3.27Å; L339-I457 HydrophobicContact CG-CD1 4.21Å; L343-I457 HydrophobicContact CD1-CD1 4.15Å; L343-I457 HydrophobicContact CD1-CG2 4.16Å; A453-I457 WeakPolarHBondContact O-CG1 3.28Å; A453-I457 PolarHBondContact O-N 3.09Å; L454-I457 PolarHBondContact O-N 2.76Å; K455-I457 VanDerWaalsContact C-N 3.34Å; K455-I457 PolarHBondContact O-N 3.49Å; I457-E459 PolarHBondContact O-N 2.91Å; I457-I460 PolarHBondContact O-N 3.28Å; I457-E461 HydrophobicContact CG2-CG 4.24Å; I457-E461 WeakPolarHBondContact O-CB 3.43Å; I457-E461 VanDerWaalsContact O-CG 3.23Å; I457-E461 WeakPolarHBondContact O-CG 3.31Å; I457-E461 PolarHBondContact O-N 3.43Å
458	N	97.9	Very high	96.5	Very high	69 Å²	69	47.9 Å²	47.9	37%	0.369	24%	0.242	S	C	.	.	H	α-helix	trans	-62.9	-41.6	177	-70	-20	0	0	0	111.6	L454 K455 F456 I460 E461 E462	L454-N458 VanDerWaalsContact O-CG 3.27Å; L454-N458 PolarHBondContact O-N 3.24Å; L454-N458 PolarHBondContact O-ND2 3.21Å; K455-N458 PolarHBondContact O-N 2.92Å; F456-N458 VanDerWaalsContact C-N 3.35Å; N458-I460 VanDerWaalsContact C-N 3.33Å; N458-I460 PolarHBondContact O-N 2.91Å; N458-E461 PolarHBondContact O-N 3.15Å; N458-E462 WeakPolarHBondContact O-CB 3.5Å; N458-E462 WeakPolarHBondContact O-CG 3.29Å; N458-E462 PolarHBondContact O-N 3.4Å
459	E	95.9	Very high	96.2	Very high	66 Å²	66	45.2 Å²	45.2	31%	0.308	23%	0.227	S	C	.	.	H	α-helix	trans	-56.3	-45.8	172.7	-71.6	176.1	-164.6	0	0	111.8	K455 F456 I457 E462 M463 R478	K455-E459 PolarHBondContact O-N 2.82Å; F456-E459 PolarHBondContact O-N 2.9Å; I457-E459 PolarHBondContact O-N 2.91Å; E459-E462 PolarHBondContact O-N 3.02Å; E459-M463 VanDerWaalsContact O-CG 3.27Å; E459-M463 WeakPolarHBondContact O-CG 3.36Å; E459-M463 PolarHBondContact O-N 3.31Å; E459-M463 VanDerWaalsContact O-N 3.08Å; E459-R478 IonicContact OE2-NH1 3.34Å; E459-R478 PolarHBondContact OE2-NH1 3.39Å; E459-R478 IonicContact OE2-NH2 3.92Å
460	I	97	Very high	95.9	Very high	8 Å²	8	46 Å²	46	4%	0.041	23%	0.232	C	C	.	.	H	α-helix	trans	-64.6	-41.6	178.6	-67.9	159.8	0	0	0	111.2	Y290 A293 F456 I457 N458 M463 G464 G465 M466 A469	Y290-I460 HydrophobicContact CD1-CD1 3.56Å; Y290-I460 HydrophobicContact CE1-CD1 3.74Å; A293-I460 HydrophobicContact CB-CD1 3.94Å; A293-I460 HydrophobicContact CB-CG2 4.06Å; F456-I460 WeakPolarHBondContact O-CD1 3.49Å; F456-I460 VanDerWaalsContact O-CG1 3.3Å; F456-I460 WeakPolarHBondContact O-CG1 3.41Å; F456-I460 PolarHBondContact O-N 2.9Å; I457-I460 PolarHBondContact O-N 3.28Å; N458-I460 VanDerWaalsContact C-N 3.33Å; N458-I460 PolarHBondContact O-N 2.91Å; I460-M463 WeakPolarHBondContact O-CB 3.23Å; I460-M463 PolarHBondContact O-N 3.18Å; I460-G464 PolarHBondContact O-N 2.86Å; I460-G465 WeakPolarHBondContact O-CA 3.47Å; I460-G465 PolarHBondContact O-N 3.19Å; I460-M466 HydrophobicContact CD1-SD 3.92Å; I460-M466 HydrophobicContact CG1-SD 4.33Å; I460-M466 HydrophobicContact CG2-CB 4.07Å; I460-M466 HydrophobicContact CG2-SD 3.86Å; I460-A469 HydrophobicContact CG2-CB 4.43Å
461	E	97.2	Very high	95.3	Very high	35 Å²	35	47.9 Å²	47.9	16%	0.164	26%	0.255	C	S	.	.	H	α-helix	trans	-65.3	-40.3	178.4	-70	-78.3	98.4	0	0	111.4	L296 R300 K347 I457 N458 M463 G464	L296-E461 HydrophobicContact CD1-CG 4.47Å; R300-E461 IonicContact CZ-OE1 3.69Å; R300-E461 IonicContact CZ-OE2 3.2Å; R300-E461 IonicContact NH1-OE1 2.62Å; R300-E461 PolarHBondContact NH1-OE1 3.35Å; R300-E461 IonicContact NH2-OE1 3.46Å; R300-E461 PolarHBondContact NH2-OE1 3.19Å; R300-E461 IonicContact NH2-OE2 2.8Å; R300-E461 PolarHBondContact NH2-OE2 3.43Å; K347-E461 WeakPolarHBondContact CE-OE2 3.36Å; K347-E461 IonicContact NZ-OE2 3.92Å; K347-E461 PolarHBondContact NZ-OE2 3.28Å; I457-E461 HydrophobicContact CG2-CG 4.24Å; I457-E461 WeakPolarHBondContact O-CB 3.43Å; I457-E461 VanDerWaalsContact O-CG 3.23Å; I457-E461 WeakPolarHBondContact O-CG 3.31Å; I457-E461 PolarHBondContact O-N 3.43Å; N458-E461 PolarHBondContact O-N 3.15Å; E461-M463 VanDerWaalsContact C-N 3.28Å; E461-M463 PolarHBondContact O-N 2.93Å; E461-G464 PolarHBondContact O-N 3Å
462	E	96.6	Very high	94.9	Very high	169 Å²	169	47.5 Å²	47.5	79%	0.79	25%	0.25	S	S	*	.	H	α-helix	trans	-62.6	-33.7	173.7	-74.9	176.5	-169.8	0	0	112.6	N458 E459 G464	N458-E462 WeakPolarHBondContact O-CB 3.5Å; N458-E462 WeakPolarHBondContact O-CG 3.29Å; N458-E462 PolarHBondContact O-N 3.4Å; E459-E462 PolarHBondContact O-N 3.02Å; E462-G464 PolarHBondContact O-N 2.77Å
463	M	92.8	Very high	94.5	Very high	46 Å²	46	47 Å²	47	23%	0.227	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-12.3	174.3	-68.7	169.2	61.7	0	0	113.3	E459 I460 E461 R468 A469 I474	E459-M463 VanDerWaalsContact O-CG 3.27Å; E459-M463 WeakPolarHBondContact O-CG 3.36Å; E459-M463 PolarHBondContact O-N 3.31Å; E459-M463 VanDerWaalsContact O-N 3.08Å; I460-M463 WeakPolarHBondContact O-CB 3.23Å; I460-M463 PolarHBondContact O-N 3.18Å; E461-M463 VanDerWaalsContact C-N 3.28Å; E461-M463 PolarHBondContact O-N 2.93Å; M463-R468 WeakPolarHBondContact O-CD 3.5Å; M463-R468 PolarHBondContact O-NE 2.86Å; M463-R468 PolarHBondContact O-NH1 2.55Å; M463-R468 VanDerWaalsContact O-NH1 3.14Å; M463-A469 HydrophobicContact CE-CB 4.02Å; M463-I474 HydrophobicContact CE-CD1 3.36Å
464	G	94.6	Very high	94.2	Very high	49 Å²	49	49.2 Å²	49.2	51%	0.505	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	102.6	24	-177.8	0	0	0	0	0	114.2	I460 E461 E462	I460-G464 PolarHBondContact O-N 2.86Å; E461-G464 PolarHBondContact O-N 3Å; E462-G464 PolarHBondContact O-N 2.77Å
465	G	94.9	Very high	94	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.254	C	S	.	.			trans	93.6	171	173.4	0	0	0	0	0	114.2	I460 A467 R468 A469	I460-G465 WeakPolarHBondContact O-CA 3.47Å; I460-G465 PolarHBondContact O-N 3.19Å; G465-A467 PolarHBondContact O-N 3.22Å; G465-R468 PolarHBondContact O-N 3.24Å; G465-A469 PolarHBondContact O-N 3.16Å
466	M	95.4	Very high	93.9	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-71	-33.3	-166.5	-163.6	53.5	-178.4	0	0	113.1	M237 Y290 A293 N294 E297 I460 R468 A469 V470 P475	M237-M466 HydrophobicContact CE-CE 3.65Å; M237-M466 HydrophobicContact SD-CE 3.27Å; M237-M466 WeakPolarHBondContact SD-CE 3.39Å; Y290-M466 HydrophobicContact CD1-CE 4.01Å; Y290-M466 HydrophobicContact CD2-CE 4.37Å; Y290-M466 HydrophobicContact CG-CE 3.79Å; A293-M466 HydrophobicContact CB-CB 4.09Å; A293-M466 HydrophobicContact CB-CG 4.16Å; A293-M466 HydrophobicContact CB-SD 4.22Å; N294-M466 WeakPolarHBondContact OD1-CG 3.37Å; E297-M466 HydrophobicContact CB-CB 4.48Å; I460-M466 HydrophobicContact CD1-SD 3.92Å; I460-M466 HydrophobicContact CG1-SD 4.33Å; I460-M466 HydrophobicContact CG2-CB 4.07Å; I460-M466 HydrophobicContact CG2-SD 3.86Å; M466-R468 VanDerWaalsContact C-N 3.27Å; M466-R468 PolarHBondContact O-N 3.31Å; M466-A469 PolarHBondContact O-N 3.31Å; M466-A469 HydrophobicContact SD-CB 4.2Å; M466-V470 HydrophobicContact CE-CG2 3.98Å; M466-V470 HydrophobicContact CG-CG2 4.29Å; M466-V470 WeakPolarHBondContact O-CB 3.4Å; M466-V470 VanDerWaalsContact O-CG2 3.24Å; M466-V470 WeakPolarHBondContact O-CG2 3.5Å; M466-V470 PolarHBondContact O-N 2.81Å; M466-V470 HydrophobicContact SD-CG2 4.45Å; M466-P475 HydrophobicContact CE-CB 3.86Å; M466-P475 HydrophobicContact CE-CG 3.58Å; M466-P475 HydrophobicContact SD-CG 4.16Å
467	A	90.6	Very high	93.7	Very high	26 Å²	26	44.8 Å²	44.8	22%	0.215	25%	0.245	C	C	.	.	H	α-helix	trans	-58.3	-40.5	175.7	0	0	0	0	0	112.2	L233 E297 G465 A471	L233-A467 HydrophobicContact CD2-CB 4.22Å; E297-A467 HydrophobicContact CG-CB 3.92Å; G465-A467 PolarHBondContact O-N 3.22Å; A467-A471 PolarHBondContact O-N 3.42Å; A467-A471 VanDerWaalsContact O-N 3.1Å
468	R	91.4	Very high	93.6	Very high	143 Å²	143	46 Å²	46	54%	0.54	25%	0.249	S	C	.	.	H	α-helix	trans	-71.5	-45	176.3	179.7	166.5	170	-169.8	10.5	111.9	M463 G465 M466 V470 A471 E472	M463-R468 WeakPolarHBondContact O-CD 3.5Å; M463-R468 PolarHBondContact O-NE 2.86Å; M463-R468 PolarHBondContact O-NH1 2.55Å; M463-R468 VanDerWaalsContact O-NH1 3.14Å; G465-R468 PolarHBondContact O-N 3.24Å; M466-R468 VanDerWaalsContact C-N 3.27Å; M466-R468 PolarHBondContact O-N 3.31Å; R468-V470 VanDerWaalsContact C-N 3.27Å; R468-V470 PolarHBondContact O-N 2.78Å; R468-A471 PolarHBondContact O-N 3.02Å; R468-A471 VanDerWaalsContact O-N 3.15Å; R468-E472 IonicContact CZ-OE1 2.74Å; R468-E472 IonicContact NE-OE1 2.84Å; R468-E472 PolarHBondContact NE-OE1 2.95Å; R468-E472 IonicContact NH2-OE1 3.03Å; R468-E472 WeakPolarHBondContact O-CG 3.31Å; R468-E472 PolarHBondContact O-N 3.37Å
469	A	92.8	Very high	93.6	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.008	23%	0.232	C	C	.	.	H	α-helix	trans	-58.4	-40.3	177.3	0	0	0	0	0	112.2	I460 M463 G465 M466 E472 G473 I474 P475	I460-A469 HydrophobicContact CG2-CB 4.43Å; M463-A469 HydrophobicContact CE-CB 4.02Å; G465-A469 PolarHBondContact O-N 3.16Å; M466-A469 PolarHBondContact O-N 3.31Å; M466-A469 HydrophobicContact SD-CB 4.2Å; A469-E472 PolarHBondContact O-N 2.96Å; A469-G473 PolarHBondContact O-N 3.21Å; A469-I474 PolarHBondContact O-N 2.97Å; A469-P475 HydrophobicContact CB-CG 4.13Å; A469-P475 WeakPolarHBondContact O-CD 3.48Å
470	V	90.9	Very high	93.7	Very high	16 Å²	16	40.7 Å²	40.7	10%	0.097	22%	0.222	C	C	.	.	H	α-helix	trans	-64	-46.1	174.4	169.7	0	0	0	0	111.4	F236 M237 M466 R468 E472 G473 P475	F236-V470 HydrophobicContact CB-CG1 3.52Å; F236-V470 HydrophobicContact CD2-CG1 4.47Å; F236-V470 HydrophobicContact CG-CG1 4.36Å; M237-V470 HydrophobicContact CE-CG2 4.27Å; M237-V470 HydrophobicContact CG-CG1 4.32Å; M237-V470 HydrophobicContact CG-CG2 3.66Å; M237-V470 HydrophobicContact SD-CG2 3.86Å; M466-V470 HydrophobicContact CE-CG2 3.98Å; M466-V470 HydrophobicContact CG-CG2 4.29Å; M466-V470 WeakPolarHBondContact O-CB 3.4Å; M466-V470 VanDerWaalsContact O-CG2 3.24Å; M466-V470 WeakPolarHBondContact O-CG2 3.5Å; M466-V470 PolarHBondContact O-N 2.81Å; M466-V470 HydrophobicContact SD-CG2 4.45Å; R468-V470 VanDerWaalsContact C-N 3.27Å; R468-V470 PolarHBondContact O-N 2.78Å; V470-E472 PolarHBondContact O-N 3.5Å; V470-G473 WeakPolarHBondContact O-CA 3.38Å; V470-G473 PolarHBondContact O-N 2.8Å; V470-P475 HydrophobicContact CG2-CG 4.36Å
471	A	87.2	Confident	93.7	Very high	73 Å²	73	42 Å²	42	60%	0.603	23%	0.228	S	C	*	.	H	α-helix	trans	-61.6	-32	176.8	0	0	0	0	0	112.8	A467 R468 G473	A467-A471 PolarHBondContact O-N 3.42Å; A467-A471 VanDerWaalsContact O-N 3.1Å; R468-A471 PolarHBondContact O-N 3.02Å; R468-A471 VanDerWaalsContact O-N 3.15Å; A471-G473 VanDerWaalsContact C-N 3.28Å
472	E	89.2	Confident	93.7	Very high	68 Å²	68	41.4 Å²	41.4	32%	0.318	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-8	174.6	-69	179.8	-166.2	0	0	113.5	R468 A469 V470 I474 R592	R468-E472 IonicContact CZ-OE1 2.74Å; R468-E472 IonicContact NE-OE1 2.84Å; R468-E472 PolarHBondContact NE-OE1 2.95Å; R468-E472 IonicContact NH2-OE1 3.03Å; R468-E472 WeakPolarHBondContact O-CG 3.31Å; R468-E472 PolarHBondContact O-N 3.37Å; A469-E472 PolarHBondContact O-N 2.96Å; V470-E472 PolarHBondContact O-N 3.5Å; E472-I474 VanDerWaalsContact C-N 3.32Å; E472-I474 HydrophobicContact CB-CD1 4.16Å; E472-I474 HydrophobicContact CB-CG1 4.46Å; E472-I474 PolarHBondContact O-N 3.5Å; E472-R592 PolarHBondContact O-NH1 2.85Å; E472-R592 PolarHBondContact O-NH2 3.31Å; E472-R592 VanDerWaalsContact O-NH2 3.13Å
473	G	90	Very high	93.8	Very high	18 Å²	18	33.5 Å²	33.5	19%	0.186	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.7	10.7	175.3	0	0	0	0	0	115.4	A469 V470 A471 L477	A469-G473 PolarHBondContact O-N 3.21Å; V470-G473 WeakPolarHBondContact O-CA 3.38Å; V470-G473 PolarHBondContact O-N 2.8Å; A471-G473 VanDerWaalsContact C-N 3.28Å; G473-L477 PolarHBondContact O-N 3.39Å
474	I	91.7	Very high	94	Very high	46 Å²	46	31.3 Å²	31.3	24%	0.236	18%	0.18	C	C	.	.	H	α-helix	trans	-70	-48.1	-174.2	-70.2	162.1	0	0	0	112.6	M463 A469 E472 K476 L477 R478	M463-I474 HydrophobicContact CE-CD1 3.36Å; A469-I474 PolarHBondContact O-N 2.97Å; E472-I474 VanDerWaalsContact C-N 3.32Å; E472-I474 HydrophobicContact CB-CD1 4.16Å; E472-I474 HydrophobicContact CB-CG1 4.46Å; E472-I474 PolarHBondContact O-N 3.5Å; I474-K476 VanDerWaalsContact C-N 3.35Å; I474-K476 PolarHBondContact O-N 2.93Å; I474-L477 PolarHBondContact O-N 3.39Å; I474-R478 PolarHBondContact O-N 2.91Å; I474-R478 VanDerWaalsContact O-N 3.13Å
475	P	94.9	Very high	94.2	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.013	17%	0.168	C	C	.	.	H	α-helix	trans	-57.6	-45.5	178.8	-27.8	36.6	0	0	0	112.8	M237 Y290 M466 A469 V470 L477 R478 I479	M237-P475 HydrophobicContact CG-CB 4.22Å; M237-P475 HydrophobicContact SD-CB 3.6Å; M237-P475 VanDerWaalsContact SD-CB 3.6Å; M237-P475 HydrophobicContact SD-CG 4.29Å; Y290-P475 HydrophobicContact CD2-CB 4.03Å; Y290-P475 HydrophobicContact CE2-CB 3.67Å; M466-P475 HydrophobicContact CE-CB 3.86Å; M466-P475 HydrophobicContact CE-CG 3.58Å; M466-P475 HydrophobicContact SD-CG 4.16Å; A469-P475 HydrophobicContact CB-CG 4.13Å; A469-P475 WeakPolarHBondContact O-CD 3.48Å; V470-P475 HydrophobicContact CG2-CG 4.36Å; P475-L477 PolarHBondContact O-N 3.33Å; P475-R478 PolarHBondContact O-N 3Å; P475-I479 VanDerWaalsContact O-CG1 3.29Å; P475-I479 WeakPolarHBondContact O-CG1 3Å; P475-I479 PolarHBondContact O-N 3.47Å
476	K	95.1	Very high	94.4	Very high	44 Å²	44	34.8 Å²	34.8	19%	0.191	18%	0.178	C	C	.	.	H	α-helix	trans	-58.7	-46.3	178.4	-179	167.9	179.8	52.3	0	111.6	M237 I474 R478 I479 E480 D639	M237-K476 VanDerWaalsContact O-CD 3.3Å; M237-K476 WeakPolarHBondContact O-CD 3.38Å; M237-K476 VanDerWaalsContact O-CG 3.29Å; M237-K476 WeakPolarHBondContact O-CG 3.37Å; I474-K476 VanDerWaalsContact C-N 3.35Å; I474-K476 PolarHBondContact O-N 2.93Å; K476-R478 PolarHBondContact O-N 3.31Å; K476-I479 PolarHBondContact O-N 3.24Å; K476-E480 WeakPolarHBondContact CE-OE1 3.4Å; K476-E480 HydrophobicContact CG-CG 4.41Å; K476-E480 WeakPolarHBondContact CG-OE1 3.44Å; K476-E480 IonicContact NZ-OE1 3.34Å; K476-E480 PolarHBondContact NZ-OE1 3.46Å; K476-E480 WeakPolarHBondContact O-CG 3.38Å; K476-E480 PolarHBondContact O-N 3.41Å; K476-D639 IonicContact NZ-OD1 3.43Å; K476-D639 IonicContact NZ-OD2 3.85Å; K476-D639 PolarHBondContact NZ-OD2 2.86Å
477	L	94.3	Very high	94.5	Very high	62 Å²	62	36.3 Å²	36.3	33%	0.325	19%	0.185	S	C	.	.	H	α-helix	trans	-62.3	-40.6	180	-173.6	67.5	0	0	0	112.5	G473 I474 P475 E480 E481 V594	G473-L477 PolarHBondContact O-N 3.39Å; I474-L477 PolarHBondContact O-N 3.39Å; P475-L477 PolarHBondContact O-N 3.33Å; L477-E480 PolarHBondContact O-N 3.19Å; L477-E481 PolarHBondContact O-N 3.29Å; L477-V594 HydrophobicContact CD1-CG2 3.62Å
478	R	95.5	Very high	94.9	Very high	26 Å²	26	35.1 Å²	35.1	10%	0.098	18%	0.175	C	C	.	.	H	α-helix	trans	-66.7	-39.8	177.3	-69.8	-168.4	177.3	176.4	5.6	111.9	T40 L286 Y290 E459 I474 P475 K476 E481 C482	T40-R478 HydrophobicContact CG2-CB 4.31Å; T40-R478 HydrophobicContact CG2-CG 3.74Å; L286-R478 HydrophobicContact CD1-CB 4.24Å; Y290-R478 VanDerWaalsContact OH-CD 3.32Å; Y290-R478 WeakPolarHBondContact OH-CD 3.23Å; E459-R478 IonicContact OE2-NH1 3.34Å; E459-R478 PolarHBondContact OE2-NH1 3.39Å; E459-R478 IonicContact OE2-NH2 3.92Å; I474-R478 PolarHBondContact O-N 2.91Å; I474-R478 VanDerWaalsContact O-N 3.13Å; P475-R478 PolarHBondContact O-N 3Å; K476-R478 PolarHBondContact O-N 3.31Å; R478-E481 WeakPolarHBondContact O-CB 3.41Å; R478-E481 PolarHBondContact O-N 2.82Å; R478-C482 PolarHBondContact O-N 3.28Å; R478-C482 PolarHBondContact O-SG 3.02Å
479	I	97.9	Very high	95.2	Very high	3 Å²	3	30 Å²	30	2%	0.015	16%	0.156	C	C	.	.	H	α-helix	trans	-63.2	-45.5	175.1	-66.6	171.5	0	0	0	110.9	V238 L277 A280 A282 Y290 P475 K476 E481 C482 A483	V238-I479 HydrophobicContact CG1-CD1 3.7Å; V238-I479 HydrophobicContact CG1-CG2 4.14Å; L277-I479 HydrophobicContact CB-CD1 4.3Å; L277-I479 HydrophobicContact CD2-CD1 3.84Å; A280-I479 HydrophobicContact CB-CG2 3.81Å; A282-I479 HydrophobicContact CB-CD1 4.37Å; A282-I479 HydrophobicContact CB-CG1 3.94Å; A282-I479 HydrophobicContact CB-CG2 4.37Å; Y290-I479 HydrophobicContact CD2-CD1 4.11Å; Y290-I479 HydrophobicContact CD2-CG1 4.46Å; Y290-I479 HydrophobicContact CE2-CD1 4.16Å; Y290-I479 HydrophobicContact CE2-CG1 4.11Å; P475-I479 VanDerWaalsContact O-CG1 3.29Å; P475-I479 WeakPolarHBondContact O-CG1 3Å; P475-I479 PolarHBondContact O-N 3.47Å; K476-I479 PolarHBondContact O-N 3.24Å; I479-E481 VanDerWaalsContact C-N 3.27Å; I479-E481 PolarHBondContact O-N 3.48Å; I479-C482 PolarHBondContact O-N 3.45Å; I479-A483 PolarHBondContact O-N 3.43Å
480	E	97.2	Very high	95.5	Very high	20 Å²	20	30.5 Å²	30.5	9%	0.093	16%	0.158	C	C	.	.	H	α-helix	trans	-62.1	-35	176.7	-72.2	175.2	177.6	0	0	111.7	K476 L477 A483 A484 V594	K476-E480 WeakPolarHBondContact CE-OE1 3.4Å; K476-E480 HydrophobicContact CG-CG 4.41Å; K476-E480 WeakPolarHBondContact CG-OE1 3.44Å; K476-E480 IonicContact NZ-OE1 3.34Å; K476-E480 PolarHBondContact NZ-OE1 3.46Å; K476-E480 WeakPolarHBondContact O-CG 3.38Å; K476-E480 PolarHBondContact O-N 3.41Å; L477-E480 PolarHBondContact O-N 3.19Å; E480-A483 PolarHBondContact O-N 3.34Å; E480-A484 WeakPolarHBondContact O-CB 3.5Å; E480-A484 PolarHBondContact O-N 2.96Å; E480-V594 HydrophobicContact CB-CG2 3.6Å
481	E	96.9	Very high	95.8	Very high	34 Å²	34	29.9 Å²	29.9	16%	0.159	15%	0.154	C	C	.	.	H	α-helix	trans	-65.2	-46	173.6	-164.1	-171.7	160.6	0	0	111.9	T40 L477 R478 I479 A483 A484 R485 V594 A597	T40-E481 WeakPolarHBondContact CB-OE2 3.47Å; T40-E481 WeakPolarHBondContact CG2-OE2 3.33Å; T40-E481 PolarHBondContact OG1-OE1 3.2Å; T40-E481 PolarHBondContact OG1-OE2 3.41Å; L477-E481 PolarHBondContact O-N 3.29Å; R478-E481 WeakPolarHBondContact O-CB 3.41Å; R478-E481 PolarHBondContact O-N 2.82Å; I479-E481 VanDerWaalsContact C-N 3.27Å; I479-E481 PolarHBondContact O-N 3.48Å; E481-A483 VanDerWaalsContact C-N 3.28Å; E481-A483 PolarHBondContact O-N 2.86Å; E481-A484 PolarHBondContact O-N 3.1Å; E481-R485 WeakPolarHBondContact O-CG 3.39Å; E481-R485 PolarHBondContact O-N 3.12Å; E481-R485 IonicContact OE1-CZ 3.46Å; E481-R485 IonicContact OE1-NE 2.7Å; E481-R485 PolarHBondContact OE1-NE 3.39Å; E481-R485 IonicContact OE1-NH2 3.73Å; E481-R485 PolarHBondContact OE1-NH2 2.93Å; E481-V594 HydrophobicContact CB-CG1 4.44Å; E481-V594 HydrophobicContact CB-CG2 4.48Å; E481-V594 HydrophobicContact CG-CG1 4.35Å; E481-A597 HydrophobicContact CG-CB 3.71Å
482	C	98	Very high	96.3	Very high	24 Å²	24	28.1 Å²	28.1	16%	0.162	14%	0.138	C	C	.	.	H	α-helix	trans	-60.2	-40.2	175.4	-67.6	0	0	0	0	111.5	G281 D283 R478 I479 R486	G281-C482 WeakPolarHBondContact O-CB 3.47Å; D283-C482 PolarHBondContact OD2-SG 3.18Å; D283-C482 VanDerWaalsContact OD2-SG 3.38Å; R478-C482 PolarHBondContact O-N 3.28Å; R478-C482 PolarHBondContact O-SG 3.02Å; I479-C482 PolarHBondContact O-N 3.45Å; C482-R486 VanDerWaalsContact O-CB 3.32Å; C482-R486 WeakPolarHBondContact O-CB 3.14Å; C482-R486 PolarHBondContact O-N 3.32Å
483	A	98.1	Very high	96.6	Very high	2 Å²	2	26.7 Å²	26.7	2%	0.017	14%	0.141	C	C	.	.	H	α-helix	trans	-62	-45.4	175.4	0	0	0	0	0	112.5	A280 I479 E480 E481 R486 Q487 R640 V644	A280-A483 WeakPolarHBondContact O-CB 3.46Å; I479-A483 PolarHBondContact O-N 3.43Å; E480-A483 PolarHBondContact O-N 3.34Å; E481-A483 VanDerWaalsContact C-N 3.28Å; E481-A483 PolarHBondContact O-N 2.86Å; A483-R486 PolarHBondContact O-N 3Å; A483-Q487 PolarHBondContact O-N 3.45Å; A483-R640 HydrophobicContact CB-CG 4.26Å; A483-V644 HydrophobicContact CB-CG2 3.98Å
484	A	98.1	Very high	96.9	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-63.6	-45.6	178.9	0	0	0	0	0	112	E480 E481 R486 Q487 A488 A597 T647	E480-A484 WeakPolarHBondContact O-CB 3.5Å; E480-A484 PolarHBondContact O-N 2.96Å; E481-A484 PolarHBondContact O-N 3.1Å; A484-R486 VanDerWaalsContact C-N 3.34Å; A484-R486 PolarHBondContact O-N 3.37Å; A484-Q487 PolarHBondContact O-N 3.08Å; A484-A488 PolarHBondContact O-N 2.77Å; A484-A597 HydrophobicContact CB-CB 4.14Å; A484-T647 HydrophobicContact CB-CG2 4.02Å
485	R	98.3	Very high	97.2	Very high	67 Å²	67	29.7 Å²	29.7	25%	0.253	16%	0.159	S	C	.	.	H	α-helix	trans	-61	-44.5	175.1	-68.7	177.2	-180	-84	-1.1	111.3	E481 Q487 A488 R489 A597 E601	E481-R485 WeakPolarHBondContact O-CG 3.39Å; E481-R485 PolarHBondContact O-N 3.12Å; E481-R485 IonicContact OE1-CZ 3.46Å; E481-R485 IonicContact OE1-NE 2.7Å; E481-R485 PolarHBondContact OE1-NE 3.39Å; E481-R485 IonicContact OE1-NH2 3.73Å; E481-R485 PolarHBondContact OE1-NH2 2.93Å; R485-Q487 VanDerWaalsContact C-N 3.35Å; R485-Q487 PolarHBondContact O-N 2.99Å; R485-A488 WeakPolarHBondContact O-CB 3.26Å; R485-A488 PolarHBondContact O-N 3.36Å; R485-R489 PolarHBondContact O-N 3.26Å; R485-A597 HydrophobicContact CG-CB 4.47Å; R485-E601 HydrophobicContact CB-CB 4.17Å; R485-E601 HydrophobicContact CB-CG 3.83Å; R485-E601 HydrophobicContact CG-CB 4.08Å; R485-E601 HydrophobicContact CG-CG 4.19Å; R485-E601 IonicContact CZ-OE2 2.71Å; R485-E601 IonicContact NH1-OE2 3.94Å; R485-E601 PolarHBondContact NH1-OE2 3.09Å; R485-E601 WeakPolarHBondContact O-CG 3.47Å
486	R	98.4	Very high	97.4	Very high	56 Å²	56	33.1 Å²	33.1	21%	0.211	18%	0.179	C	C	.	.	H	α-helix	trans	-61.8	-42.9	177.7	-167.6	171.3	-168.7	-179.4	0.9	112.2	W367 C482 A483 A484 A488 R489 I490 E495	W367-R486 HydrophobicContact CH2-CG 4.34Å; W367-R486 VanDerWaalsContact CH2-NE 3.26Å; W367-R486 VanDerWaalsContact CZ3-NH1 3.28Å; C482-R486 VanDerWaalsContact O-CB 3.32Å; C482-R486 WeakPolarHBondContact O-CB 3.14Å; C482-R486 PolarHBondContact O-N 3.32Å; A483-R486 PolarHBondContact O-N 3Å; A484-R486 VanDerWaalsContact C-N 3.34Å; A484-R486 PolarHBondContact O-N 3.37Å; R486-A488 VanDerWaalsContact C-N 3.32Å; R486-A488 PolarHBondContact O-N 3.27Å; R486-R489 PolarHBondContact O-N 3.44Å; R486-I490 HydrophobicContact CG-CD1 4.09Å; R486-I490 WeakPolarHBondContact O-CD1 3.32Å; R486-I490 WeakPolarHBondContact O-CG1 3.3Å; R486-I490 PolarHBondContact O-N 3.01Å; R486-I490 VanDerWaalsContact O-N 3.08Å; R486-E495 IonicContact CZ-OE1 3.7Å; R486-E495 IonicContact NE-OE1 3.1Å; R486-E495 PolarHBondContact NE-OE1 3.39Å; R486-E495 IonicContact NE-OE2 2.71Å; R486-E495 IonicContact NH2-OE1 2.8Å; R486-E495 PolarHBondContact NH2-OE1 3.47Å
487	Q	98.4	Very high	97.5	Very high	32 Å²	32	32.5 Å²	32.5	15%	0.15	18%	0.178	C	C	.	.	H	α-helix	trans	-61.4	-41.9	175.8	-167.4	66.9	41.8	0	0	111.7	A483 A484 R485 R489 I490 D491 Y598 V644 I739	A483-Q487 PolarHBondContact O-N 3.45Å; A484-Q487 PolarHBondContact O-N 3.08Å; R485-Q487 VanDerWaalsContact C-N 3.35Å; R485-Q487 PolarHBondContact O-N 2.99Å; Q487-R489 VanDerWaalsContact C-N 3.33Å; Q487-R489 PolarHBondContact O-N 3.17Å; Q487-I490 PolarHBondContact O-N 3.06Å; Q487-D491 PolarHBondContact NE2-OD1 3.39Å; Q487-D491 WeakPolarHBondContact O-CB 3.37Å; Q487-D491 PolarHBondContact O-N 2.86Å; Q487-Y598 HydrophobicContact CB-CD2 4.32Å; Q487-Y598 HydrophobicContact CB-CE2 4.16Å; Q487-Y598 HydrophobicContact CG-CE2 4.02Å; Q487-V644 HydrophobicContact CB-CG1 3.59Å; Q487-V644 HydrophobicContact CG-CG1 3.54Å; Q487-I739 HydrophobicContact CG-CD1 4.15Å; Q487-I739 HydrophobicContact CG-CG1 4.47Å
488	A	98.2	Very high	97.7	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-61.2	-40.2	176.8	0	0	0	0	0	112.5	A484 R485 R486 S492 Y598 E601 F602	A484-A488 PolarHBondContact O-N 2.77Å; R485-A488 WeakPolarHBondContact O-CB 3.26Å; R485-A488 PolarHBondContact O-N 3.36Å; R486-A488 VanDerWaalsContact C-N 3.32Å; R486-A488 PolarHBondContact O-N 3.27Å; A488-S492 VanDerWaalsContact O-CB 3.23Å; A488-S492 WeakPolarHBondContact O-CB 3.19Å; A488-S492 PolarHBondContact O-N 3.43Å; A488-S492 PolarHBondContact O-OG 3.49Å; A488-Y598 HydrophobicContact CB-CD2 3.77Å; A488-Y598 HydrophobicContact CB-CE2 3.91Å; A488-Y598 HydrophobicContact CB-CG 4.27Å; A488-Y598 VanDerWaalsContact CB-O 3.28Å; A488-Y598 WeakPolarHBondContact CB-O 3.34Å; A488-E601 HydrophobicContact CB-CB 3.82Å; A488-E601 HydrophobicContact CB-CG 4.06Å; A488-F602 HydrophobicContact CB-CB 4.07Å; A488-F602 HydrophobicContact CB-CD2 4.26Å
489	R	98.3	Very high	97.8	Very high	37 Å²	37	31.2 Å²	31.2	14%	0.14	18%	0.176	C	C	.	.	H	α-helix	trans	-63.4	-39.6	174.4	-70	-170.7	-64.5	-89.3	1	113	R485 R486 Q487 S492 G493 S494 E495 E601	R485-R489 PolarHBondContact O-N 3.26Å; R486-R489 PolarHBondContact O-N 3.44Å; Q487-R489 VanDerWaalsContact C-N 3.33Å; Q487-R489 PolarHBondContact O-N 3.17Å; R489-S492 WeakPolarHBondContact CA-OG 3.26Å; R489-S492 PolarHBondContact O-OG 2.91Å; R489-S492 VanDerWaalsContact O-OG 3.09Å; R489-G493 PolarHBondContact O-N 2.83Å; R489-S494 WeakPolarHBondContact CA-OG 3.45Å; R489-S494 WeakPolarHBondContact CB-OG 3.36Å; R489-S494 PolarHBondContact O-N 2.64Å; R489-S494 PolarHBondContact O-OG 2.76Å; R489-S494 VanDerWaalsContact O-OG 3.08Å; R489-E495 HydrophobicContact CB-CB 3.83Å; R489-E495 IonicContact NE-OE2 3.05Å; R489-E495 PolarHBondContact O-N 3.25Å; R489-E601 WeakPolarHBondContact CD-OE1 3.3Å; R489-E601 HydrophobicContact CG-CG 3.95Å; R489-E601 IonicContact CZ-OE1 3.58Å; R489-E601 IonicContact NH1-OE1 3.61Å; R489-E601 PolarHBondContact NH1-OE1 3.07Å
490	I	98.3	Very high	97.8	Very high	11 Å²	11	31.6 Å²	31.6	6%	0.056	18%	0.178	C	C	.	.	H	α-helix	trans	-69	-48.3	177.8	-65.3	160.9	0	0	0	110.6	W367 R486 Q487 S492 G493 E495 I497 N501	W367-I490 HydrophobicContact CH2-CD1 3.63Å; W367-I490 HydrophobicContact CZ2-CD1 3.61Å; R486-I490 HydrophobicContact CG-CD1 4.09Å; R486-I490 WeakPolarHBondContact O-CD1 3.32Å; R486-I490 WeakPolarHBondContact O-CG1 3.3Å; R486-I490 PolarHBondContact O-N 3.01Å; R486-I490 VanDerWaalsContact O-N 3.08Å; Q487-I490 PolarHBondContact O-N 3.06Å; I490-S492 VanDerWaalsContact C-N 3.34Å; I490-S492 PolarHBondContact O-N 3.45Å; I490-G493 PolarHBondContact O-N 3.49Å; I490-G493 VanDerWaalsContact O-N 3.09Å; I490-E495 HydrophobicContact CG1-CB 4.12Å; I490-E495 HydrophobicContact CG1-CG 4.15Å; I490-I497 HydrophobicContact CD1-CD1 3.9Å; I490-I497 HydrophobicContact CG1-CD1 3.95Å; I490-I497 HydrophobicContact CG2-CD1 3.82Å; I490-I497 HydrophobicContact CG2-CG1 4.46Å; I490-N501 PolarHBondContact O-ND2 2.91Å
491	D	98.1	Very high	97.8	Very high	3 Å²	3	32.4 Å²	32.4	2%	0.016	18%	0.183	C	C	.	.	H	α-helix	trans	-66.6	-37.1	-177.1	-71.4	-2.9	0	0	0	111.3	Q487 G493 Y598 F602 R738 I739	Q487-D491 PolarHBondContact NE2-OD1 3.39Å; Q487-D491 WeakPolarHBondContact O-CB 3.37Å; Q487-D491 PolarHBondContact O-N 2.86Å; D491-G493 VanDerWaalsContact C-N 3.28Å; D491-G493 PolarHBondContact O-N 2.91Å; D491-Y598 WeakPolarHBondContact CB-OH 3.21Å; D491-Y598 PolarHBondContact OD2-OH 3Å; D491-F602 HydrophobicContact CB-CD2 4.36Å; D491-F602 HydrophobicContact CB-CE2 3.63Å; D491-R738 HydrophobicContact CB-CG 4.47Å; D491-R738 VanDerWaalsContact O-CZ 3.25Å; D491-R738 PolarHBondContact O-NE 2.84Å; D491-R738 PolarHBondContact O-NH2 3.18Å; D491-I739 PolarHBondContact OD2-N 3.02Å; D491-I739 VanDerWaalsContact OD2-N 3.1Å
492	S	96.8	Very high	97.8	Very high	36 Å²	36	35.5 Å²	35.5	25%	0.252	20%	0.196	S	C	.	.	H	α-helix	trans	-73.4	-16	173.7	60.2	0	0	0	0	113.8	A488 R489 I490 S494	A488-S492 VanDerWaalsContact O-CB 3.23Å; A488-S492 WeakPolarHBondContact O-CB 3.19Å; A488-S492 PolarHBondContact O-N 3.43Å; A488-S492 PolarHBondContact O-OG 3.49Å; R489-S492 WeakPolarHBondContact CA-OG 3.26Å; R489-S492 PolarHBondContact O-OG 2.91Å; R489-S492 VanDerWaalsContact O-OG 3.09Å; I490-S492 VanDerWaalsContact C-N 3.34Å; I490-S492 PolarHBondContact O-N 3.45Å; S492-S494 PolarHBondContact OG-OG 2.69Å; S492-S494 VanDerWaalsContact OG-OG 3.12Å
493	G	96.4	Very high	97.8	Very high	38 Å²	38	41.8 Å²	41.8	39%	0.392	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.2	8.3	-176.4	0	0	0	0	0	115.1	R489 I490 D491	R489-G493 PolarHBondContact O-N 2.83Å; I490-G493 PolarHBondContact O-N 3.49Å; I490-G493 VanDerWaalsContact O-N 3.09Å; D491-G493 VanDerWaalsContact C-N 3.28Å; D491-G493 PolarHBondContact O-N 2.91Å
494	S	95.9	Very high	97.7	Very high	85 Å²	85	48.3 Å²	48.3	59%	0.594	24%	0.242	S	C	*	.	S	Bend	trans	-72.4	-30.7	173.2	56.7	0	0	0	0	112.5	R489 S492	R489-S494 WeakPolarHBondContact CA-OG 3.45Å; R489-S494 WeakPolarHBondContact CB-OG 3.36Å; R489-S494 PolarHBondContact O-N 2.64Å; R489-S494 PolarHBondContact O-OG 2.76Å; R489-S494 VanDerWaalsContact O-OG 3.08Å; S492-S494 PolarHBondContact OG-OG 2.69Å; S492-S494 VanDerWaalsContact OG-OG 3.12Å
495	E	98.1	Very high	97.6	Very high	41 Å²	41	52 Å²	52	19%	0.192	26%	0.261	C	S	.	.	S	Bend	trans	-99.7	118.9	163.9	-177.1	169.8	157.9	0	0	108.8	R486 R489 I490 N501	R486-E495 IonicContact CZ-OE1 3.7Å; R486-E495 IonicContact NE-OE1 3.1Å; R486-E495 PolarHBondContact NE-OE1 3.39Å; R486-E495 IonicContact NE-OE2 2.71Å; R486-E495 IonicContact NH2-OE1 2.8Å; R486-E495 PolarHBondContact NH2-OE1 3.47Å; R489-E495 HydrophobicContact CB-CB 3.83Å; R489-E495 IonicContact NE-OE2 3.05Å; R489-E495 PolarHBondContact O-N 3.25Å; I490-E495 HydrophobicContact CG1-CB 4.12Å; I490-E495 HydrophobicContact CG1-CG 4.15Å; E495-N501 PolarHBondContact O-ND2 3.29Å
496	V	98.6	Very high	97.3	Very high	74 Å²	74	58.8 Å²	58.8	45%	0.448	30%	0.295	S	S	.	.			trans	-87.7	129.9	-177.6	174.5	0	0	0	0	110.8	V498 K502	V496-V498 HydrophobicContact CG1-CG2 4.44Å; V496-K502 HydrophobicContact CG1-CB 3.99Å; V496-K502 HydrophobicContact CG1-CD 4.15Å; V496-K502 HydrophobicContact CG2-CD 4.27Å
497	I	98.6	Very high	96.9	Very high	31 Å²	31	64.8 Å²	64.8	16%	0.159	32%	0.323	C	S	.	.			trans	-121.1	107	166.7	-55.3	-178	0	0	0	108.1	T370 I490 G499 V500 N501	T370-I497 HydrophobicContact CG2-CG2 3.57Å; I490-I497 HydrophobicContact CD1-CD1 3.9Å; I490-I497 HydrophobicContact CG1-CD1 3.95Å; I490-I497 HydrophobicContact CG2-CD1 3.82Å; I490-I497 HydrophobicContact CG2-CG1 4.46Å; I497-G499 PolarHBondContact O-N 3.4Å; I497-V500 HydrophobicContact CB-CB 4.02Å; I497-V500 HydrophobicContact CB-CG2 4.43Å; I497-V500 HydrophobicContact CG2-CB 3.71Å; I497-V500 HydrophobicContact CG2-CG2 3.57Å; I497-V500 PolarHBondContact O-N 2.94Å; I497-N501 PolarHBondContact N-OD1 2.63Å; I497-N501 PolarHBondContact O-N 2.87Å; I497-N501 PolarHBondContact O-OD1 3.16Å
498	V	98.6	Very high	96.4	Very high	61 Å²	61	66.7 Å²	66.7	37%	0.37	33%	0.332	S	S	.	.	B	Isolated β-bridge	trans	-59.3	132.6	179.2	179.9	0	0	0	0	110.4	R380 V496 V500 K502 Y503	R380-V498 PolarHBondContact NH2-O 3.31Å; V496-V498 HydrophobicContact CG1-CG2 4.44Å; V498-V500 PolarHBondContact O-N 3.16Å; V498-K502 WeakPolarHBondContact CA-O 3.43Å; V498-Y503 HydrophobicContact CG1-CD2 4.25Å; V498-Y503 HydrophobicContact CG2-CD2 4.22Å
499	G	96.6	Very high	95.7	Very high	1 Å²	1	74 Å²	74	1%	0.01	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.9	-19.8	-175.2	0	0	0	0	0	113.6	I497 K502	I497-G499 PolarHBondContact O-N 3.4Å; G499-K502 PolarHBondContact N-O 3.31Å
500	V	97.1	Very high	94.8	Very high	11 Å²	11	78.1 Å²	78.1	7%	0.067	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.7	-53.4	-173.6	-176.9	0	0	0	0	113.3	T370 Q372 I497 V498 R504	T370-V500 HydrophobicContact CG2-CG2 3.46Å; T370-V500 VanDerWaalsContact CG2-CG2 3.46Å; Q372-V500 HydrophobicContact CB-CG2 4.33Å; I497-V500 HydrophobicContact CB-CB 4.02Å; I497-V500 HydrophobicContact CB-CG2 4.43Å; I497-V500 HydrophobicContact CG2-CB 3.71Å; I497-V500 HydrophobicContact CG2-CG2 3.57Å; I497-V500 PolarHBondContact O-N 2.94Å; V498-V500 PolarHBondContact O-N 3.16Å; V500-R504 PolarHBondContact O-NE 3.29Å; V500-R504 PolarHBondContact O-NH2 2.91Å
501	N	97.3	Very high	93.9	Very high	37 Å²	37	79.1 Å²	79.1	20%	0.198	41%	0.407	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.9	-9.7	177.1	70.9	1.3	0	0	0	113	I490 E495 I497	I490-N501 PolarHBondContact O-ND2 2.91Å; E495-N501 PolarHBondContact O-ND2 3.29Å; I497-N501 PolarHBondContact N-OD1 2.63Å; I497-N501 PolarHBondContact O-N 2.87Å; I497-N501 PolarHBondContact O-OD1 3.16Å
502	K	97.9	Very high	93	Very high	98 Å²	98	85.7 Å²	85.7	43%	0.426	44%	0.442	S	S	.	.	B	Isolated β-bridge	trans	-146.5	145.1	175.4	-159.5	173.8	-176.6	174.3	0	110.1	V496 V498 G499 R504	V496-K502 HydrophobicContact CG1-CB 3.99Å; V496-K502 HydrophobicContact CG1-CD 4.15Å; V496-K502 HydrophobicContact CG2-CD 4.27Å; V498-K502 WeakPolarHBondContact CA-O 3.43Å; G499-K502 PolarHBondContact N-O 3.31Å; K502-R504 VanDerWaalsContact C-N 3.34Å
503	Y	97.8	Very high	92.2	Very high	156 Å²	156	85.2 Å²	85.2	61%	0.612	44%	0.438	S	S	*	.	S	Bend	trans	58.5	44.4	-176.9	-40.8	-70.3	0	0	0	112.5	V498	V498-Y503 HydrophobicContact CG1-CD2 4.25Å; V498-Y503 HydrophobicContact CG2-CD2 4.22Å
504	R	96.6	Very high	91.4	Very high	140 Å²	140	86.7 Å²	86.7	53%	0.528	44%	0.436	S	S	.	.			trans	-67.2	144.3	176.6	-65	179.2	177	-171.3	-10.5	110.3	V500 K502	V500-R504 PolarHBondContact O-NE 3.29Å; V500-R504 PolarHBondContact O-NH2 2.91Å; K502-R504 VanDerWaalsContact C-N 3.34Å
505	L	94.6	Very high	90.4	Very high	77 Å²	77	86.8 Å²	86.8	40%	0.403	44%	0.442	S	S	.	.			trans	-72	148.7	166.2	-63.2	176	0	0	0	109.5	D373 K507	D373-L505 HydrophobicContact CB-CD1 4.03Å; L505-K507 VanDerWaalsContact C-N 3.26Å
506	E	92.9	Very high	89.6	Confident	210 Å²	210	86.6 Å²	86.6	98%	0.981	44%	0.442	S	S	*	.	S	Bend	trans	-69	-31	172	-67.7	-176.8	173.3	0	0	111.4
507	K	89.6	Confident	88.9	Confident	181 Å²	181	87.5 Å²	87.5	79%	0.787	45%	0.445	S	S	*	.	S	Bend	trans	-144.7	124.4	178	-175.6	179.9	178.7	-177.2	0	109.4	L505	L505-K507 VanDerWaalsContact C-N 3.26Å
508	E	88.3	Confident	88.3	Confident	73 Å²	73	86.7 Å²	86.7	34%	0.341	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-69.7	145	174.7	-63.2	-60.7	149.2	0	0	111.3	D373	D373-E508 PolarHBondContact N-OE2 3.18Å
509	E	84.4	Confident	87.8	Confident	153 Å²	153	87.3 Å²	87.3	72%	0.715	45%	0.445	S	S	*	.	P	Polyproline II helix	trans	-80.6	142.9	170.3	-67	-171.2	170.9	0	0	110.4
510	S	78.6	Confident	87.4	Confident	123 Å²	123	90.6 Å²	90.6	86%	0.86	46%	0.462	S	S	*	.	P	Polyproline II helix	trans	-72.4	129.8	173.8	56.8	0	0	0	0	110.5
511	V	79.1	Confident	87.1	Confident	33 Å²	33	90.7 Å²	90.7	20%	0.2	46%	0.462	C	S	.	.			trans	-110.4	137.6	170.6	-178.5	0	0	0	0	109.1	P374 F401 L405 V513	P374-V511 HydrophobicContact CG-CG2 3.66Å; F401-V511 HydrophobicContact CE2-CG1 4.1Å; L405-V511 HydrophobicContact CD1-CB 4.01Å; L405-V511 HydrophobicContact CD1-CG1 4.33Å; L405-V511 HydrophobicContact CD1-CG2 4.46Å; V511-V513 PolarHBondContact O-N 3.05Å
512	D	79.8	Confident	86.9	Confident	140 Å²	140	91.7 Å²	91.7	75%	0.749	46%	0.463	S	S	*	.			trans	-66.6	119.1	174.4	-65.8	-35.7	0	0	0	109.8	T409	T409-D512 WeakPolarHBondContact CG2-O 3.47Å
513	V	80	Confident	86.8	Confident	26 Å²	26	90.7 Å²	90.7	16%	0.158	46%	0.463	C	S	.	.			trans	-107.2	138.8	176.5	-174.5	0	0	0	0	109.2	L405 V511 A515	L405-V513 HydrophobicContact CB-CG1 4.48Å; L405-V513 HydrophobicContact CB-CG2 3.74Å; L405-V513 HydrophobicContact CD1-CG2 4.41Å; L405-V513 HydrophobicContact CD2-CG2 4.49Å; L405-V513 HydrophobicContact CG-CG2 4.47Å; L405-V513 WeakPolarHBondContact O-CG1 3.47Å; V511-V513 PolarHBondContact O-N 3.05Å; V513-A515 PolarHBondContact O-N 3.02Å; V513-A515 VanDerWaalsContact O-N 3.14Å
514	L	79	Confident	86.7	Confident	69 Å²	69	88.5 Å²	88.5	36%	0.361	46%	0.456	S	S	.	.			trans	-67.1	112.5	175.5	-173.5	68.2	0	0	0	110.4	F124 L407	F124-L514 HydrophobicContact CD1-CD2 3.85Å; F124-L514 HydrophobicContact CE1-CD2 4Å; L407-L514 HydrophobicContact CB-CD2 4.09Å; L407-L514 HydrophobicContact CD1-CD2 4.47Å
515	A	75.9	Confident	86.7	Confident	88 Å²	88	82.2 Å²	82.2	73%	0.727	43%	0.433	S	S	*	.			trans	-88.4	131.4	171.7	0	0	0	0	0	110.5	V513	V513-A515 PolarHBondContact O-N 3.02Å; V513-A515 VanDerWaalsContact O-N 3.14Å
516	I	80.2	Confident	86.8	Confident	36 Å²	36	81.2 Å²	81.2	19%	0.185	43%	0.428	C	S	.	.			trans	-105.9	124.2	-180	-60.9	167.1	0	0	0	109.3	S125 M170 L407 N518	S125-I516 VanDerWaalsContact OG-CD1 3.25Å; S125-I516 WeakPolarHBondContact OG-CD1 3.38Å; S125-I516 VanDerWaalsContact OG-CG1 3.23Å; S125-I516 WeakPolarHBondContact OG-CG1 3.4Å; S125-I516 WeakPolarHBondContact OG-CG2 3.47Å; M170-I516 HydrophobicContact CE-CB 4.04Å; M170-I516 HydrophobicContact CE-CD1 4.5Å; M170-I516 HydrophobicContact CE-CG2 4.31Å; M170-I516 VanDerWaalsContact O-CD1 3.25Å; M170-I516 WeakPolarHBondContact O-CD1 3.09Å; M170-I516 HydrophobicContact SD-CB 4.11Å; M170-I516 HydrophobicContact SD-CG2 3.7Å; L407-I516 HydrophobicContact CD1-CD1 3.77Å; L407-I516 HydrophobicContact CG-CD1 4.5Å; I516-N518 PolarHBondContact O-N 3.37Å
517	D	83.9	Confident	87.1	Confident	94 Å²	94	75.6 Å²	75.6	50%	0.503	40%	0.404	S	S	.	.			trans	-84.4	87.6	169.3	-178.7	-0.5	0	0	0	110.4	T519 N520 V521	D517-T519 PolarHBondContact O-N 3.04Å; D517-T519 WeakPolarHBondContact OD1-CB 3.26Å; D517-T519 PolarHBondContact OD1-N 3.24Å; D517-T519 VanDerWaalsContact OD1-N 3.11Å; D517-N520 HydrophobicContact CB-CB 4.33Å; D517-N520 PolarHBondContact O-N 2.86Å; D517-N520 PolarHBondContact OD1-N 3.4Å; D517-N520 WeakPolarHBondContact OD2-CB 3.07Å; D517-V521 WeakPolarHBondContact O-CG2 3.43Å; D517-V521 PolarHBondContact O-N 3.2Å
518	N	86.2	Confident	87.4	Confident	13 Å²	13	69 Å²	69	7%	0.07	38%	0.376	C	S	.	.	H	α-helix	trans	-52.8	-39.7	177.4	-174.7	-72.3	0	0	0	112.5	H165 G166 V168 M170 I516 N520 V521 R522	H165-N518 PolarHBondContact O-OD1 3.46Å; G166-N518 PolarHBondContact O-ND2 3.39Å; V168-N518 PolarHBondContact N-ND2 3.38Å; V168-N518 PolarHBondContact O-ND2 2.81Å; M170-N518 VanDerWaalsContact CG-ND2 3.32Å; M170-N518 WeakPolarHBondContact CG-ND2 3.5Å; M170-N518 HydrophobicContact SD-CB 3.61Å; M170-N518 PolarHBondContact SD-ND2 3.25Å; M170-N518 VanDerWaalsContact SD-ND2 3.39Å; I516-N518 PolarHBondContact O-N 3.37Å; N518-N520 VanDerWaalsContact C-N 3.33Å; N518-N520 PolarHBondContact O-N 3.34Å; N518-V521 PolarHBondContact O-N 3.24Å; N518-R522 VanDerWaalsContact O-CB 3.26Å; N518-R522 WeakPolarHBondContact O-CB 3.48Å; N518-R522 PolarHBondContact O-N 2.65Å
519	T	87.6	Confident	87.9	Confident	75 Å²	75	65.6 Å²	65.6	46%	0.46	36%	0.36	S	S	.	.	H	α-helix	trans	-62.8	-44.5	-173	-57.3	0	0	0	0	110.7	D517 N523	D517-T519 PolarHBondContact O-N 3.04Å; D517-T519 WeakPolarHBondContact OD1-CB 3.26Å; D517-T519 PolarHBondContact OD1-N 3.24Å; D517-T519 VanDerWaalsContact OD1-N 3.11Å; T519-N523 WeakPolarHBondContact O-CB 3.31Å; T519-N523 PolarHBondContact O-N 3.18Å; T519-N523 PolarHBondContact O-ND2 3.02Å
520	N	89.1	Confident	88.5	Confident	69 Å²	69	64 Å²	64	37%	0.369	35%	0.35	S	S	.	.	H	α-helix	trans	-65.7	-46.2	177.8	-170.5	-26.6	0	0	0	111.6	D517 N518 N523 K524	D517-N520 HydrophobicContact CB-CB 4.33Å; D517-N520 PolarHBondContact O-N 2.86Å; D517-N520 PolarHBondContact OD1-N 3.4Å; D517-N520 WeakPolarHBondContact OD2-CB 3.07Å; N518-N520 VanDerWaalsContact C-N 3.33Å; N518-N520 PolarHBondContact O-N 3.34Å; N520-N523 PolarHBondContact O-N 2.81Å; N520-K524 WeakPolarHBondContact O-CG 3.47Å; N520-K524 PolarHBondContact O-N 3.5Å; N520-K524 WeakPolarHBondContact OD1-CD 3.42Å; N520-K524 WeakPolarHBondContact OD1-CE 3.4Å; N520-K524 PolarHBondContact OD1-NZ 2.85Å
521	V	90.9	Very high	89.5	Confident	13 Å²	13	64.8 Å²	64.8	8%	0.079	34%	0.338	C	S	.	.	H	α-helix	trans	-59.2	-51.3	178.8	178.2	0	0	0	0	110.4	T126 V168 D517 N518 N523 K524 Q525	T126-V521 HydrophobicContact CG2-CG1 4.35Å; T126-V521 HydrophobicContact CG2-CG2 3.94Å; V168-V521 HydrophobicContact CG1-CG1 4.39Å; D517-V521 WeakPolarHBondContact O-CG2 3.43Å; D517-V521 PolarHBondContact O-N 3.2Å; N518-V521 PolarHBondContact O-N 3.24Å; V521-N523 PolarHBondContact O-N 2.74Å; V521-K524 PolarHBondContact O-N 3.37Å; V521-Q525 VanDerWaalsContact O-CB 3.29Å; V521-Q525 WeakPolarHBondContact O-CB 3.09Å; V521-Q525 PolarHBondContact O-N 3.08Å
522	R	93.4	Very high	90.4	Very high	58 Å²	58	63.9 Å²	63.9	22%	0.219	33%	0.333	C	S	.	.	H	α-helix	trans	-58.3	-49.2	179.1	-172.4	-176.4	74.3	-166.5	6.2	112.2	H165 V168 N518 K524 Q525 I526	H165-R522 PolarHBondContact O-NH1 3.23Å; V168-R522 HydrophobicContact CB-CB 4.24Å; V168-R522 HydrophobicContact CB-CG 4.34Å; V168-R522 HydrophobicContact CG1-CB 4.27Å; V168-R522 HydrophobicContact CG2-CG 4.18Å; N518-R522 VanDerWaalsContact O-CB 3.26Å; N518-R522 WeakPolarHBondContact O-CB 3.48Å; N518-R522 PolarHBondContact O-N 2.65Å; R522-K524 PolarHBondContact O-N 2.69Å; R522-Q525 PolarHBondContact O-N 2.88Å; R522-Q525 VanDerWaalsContact O-N 3.15Å; R522-I526 HydrophobicContact CG-CD1 3.86Å; R522-I526 HydrophobicContact CG-CG1 4.41Å; R522-I526 VanDerWaalsContact O-CG1 3.28Å; R522-I526 WeakPolarHBondContact O-CG1 3.15Å; R522-I526 PolarHBondContact O-N 3.44Å
523	N	94.8	Very high	91.2	Very high	78 Å²	78	61 Å²	61	42%	0.417	31%	0.312	S	S	.	.	H	α-helix	trans	-62.2	-43.7	-178.4	-70.5	-16.6	0	0	0	111.9	T519 N520 V521 Q525 I526 D527	T519-N523 WeakPolarHBondContact O-CB 3.31Å; T519-N523 PolarHBondContact O-N 3.18Å; T519-N523 PolarHBondContact O-ND2 3.02Å; N520-N523 PolarHBondContact O-N 2.81Å; V521-N523 PolarHBondContact O-N 2.74Å; N523-Q525 VanDerWaalsContact C-N 3.27Å; N523-Q525 PolarHBondContact O-N 2.99Å; N523-I526 PolarHBondContact O-N 2.91Å; N523-D527 PolarHBondContact O-N 3.44Å
524	K	95.2	Very high	92.1	Very high	109 Å²	109	66.3 Å²	66.3	47%	0.474	34%	0.335	S	S	.	.	H	α-helix	trans	-59.9	-40.4	174.6	-77.7	173.6	174.6	159.8	0	112	N520 V521 R522 D527 K528	N520-K524 WeakPolarHBondContact O-CG 3.47Å; N520-K524 PolarHBondContact O-N 3.5Å; N520-K524 WeakPolarHBondContact OD1-CD 3.42Å; N520-K524 WeakPolarHBondContact OD1-CE 3.4Å; N520-K524 PolarHBondContact OD1-NZ 2.85Å; V521-K524 PolarHBondContact O-N 3.37Å; R522-K524 PolarHBondContact O-N 2.69Å; K524-D527 PolarHBondContact O-N 3.48Å; K524-K528 WeakPolarHBondContact O-CG 3.31Å; K524-K528 PolarHBondContact O-N 2.99Å
525	Q	96.9	Very high	93	Very high	9 Å²	9	67.8 Å²	67.8	4%	0.042	35%	0.351	C	S	.	.	H	α-helix	trans	-71.4	-41.2	-176.6	-161	54.3	39.4	0	0	111.5	S159 A174 D176 D180 V521 R522 N523 D527 K528 L529	S159-Q525 WeakPolarHBondContact OG-CG 3.37Å; A174-Q525 HydrophobicContact CB-CG 4.09Å; D176-Q525 WeakPolarHBondContact OD2-CG 3.43Å; D176-Q525 PolarHBondContact OD2-NE2 2.77Å; D180-Q525 VanDerWaalsContact CG-NE2 3.28Å; D180-Q525 PolarHBondContact OD1-NE2 3.45Å; D180-Q525 PolarHBondContact OD2-NE2 3.03Å; V521-Q525 VanDerWaalsContact O-CB 3.29Å; V521-Q525 WeakPolarHBondContact O-CB 3.09Å; V521-Q525 PolarHBondContact O-N 3.08Å; R522-Q525 PolarHBondContact O-N 2.88Å; R522-Q525 VanDerWaalsContact O-N 3.15Å; N523-Q525 VanDerWaalsContact C-N 3.27Å; N523-Q525 PolarHBondContact O-N 2.99Å; Q525-D527 VanDerWaalsContact C-N 3.34Å; Q525-D527 PolarHBondContact O-N 3.1Å; Q525-K528 WeakPolarHBondContact O-CB 3.26Å; Q525-K528 PolarHBondContact O-N 3.38Å; Q525-L529 WeakPolarHBondContact O-CB 3.5Å; Q525-L529 PolarHBondContact O-N 2.79Å
526	I	97.7	Very high	94	Very high	56 Å²	56	66 Å²	66	29%	0.287	33%	0.325	S	S	.	.	H	α-helix	trans	-58.6	-44.6	170.1	-67.1	171.9	0	0	0	111.2	D160 R522 N523 K528 L529 K530	D160-I526 HydrophobicContact CB-CD1 4.42Å; D160-I526 HydrophobicContact CB-CG1 3.89Å; D160-I526 HydrophobicContact CB-CG2 4.5Å; R522-I526 HydrophobicContact CG-CD1 3.86Å; R522-I526 HydrophobicContact CG-CG1 4.41Å; R522-I526 VanDerWaalsContact O-CG1 3.28Å; R522-I526 WeakPolarHBondContact O-CG1 3.15Å; R522-I526 PolarHBondContact O-N 3.44Å; N523-I526 PolarHBondContact O-N 2.91Å; I526-K528 PolarHBondContact O-N 3.42Å; I526-L529 PolarHBondContact O-N 3.34Å; I526-K530 WeakPolarHBondContact O-CB 3.45Å; I526-K530 PolarHBondContact O-N 3.28Å
527	D	97.8	Very high	94.9	Very high	91 Å²	91	68.8 Å²	68.8	49%	0.487	34%	0.34	S	S	.	.	H	α-helix	trans	-63.5	-39.2	178.1	-77.6	-19	0	0	0	112.4	N523 K524 Q525 K531	N523-D527 PolarHBondContact O-N 3.44Å; K524-D527 PolarHBondContact O-N 3.48Å; Q525-D527 VanDerWaalsContact C-N 3.34Å; Q525-D527 PolarHBondContact O-N 3.1Å; D527-K531 VanDerWaalsContact O-CG 3.31Å; D527-K531 WeakPolarHBondContact O-CG 3.42Å; D527-K531 PolarHBondContact O-N 3.48Å
528	K	97.3	Very high	95.5	Very high	43 Å²	43	67.2 Å²	67.2	19%	0.187	34%	0.34	C	S	.	.	H	α-helix	trans	-62.3	-50.9	173.4	-74.8	175.5	-179	-178.7	0	110.6	E128 K524 Q525 I526 K530 K531 V532	E128-K528 IonicContact OE1-NZ 3.74Å; E128-K528 PolarHBondContact OE1-NZ 2.98Å; E128-K528 IonicContact OE2-NZ 2.81Å; K524-K528 WeakPolarHBondContact O-CG 3.31Å; K524-K528 PolarHBondContact O-N 2.99Å; Q525-K528 WeakPolarHBondContact O-CB 3.26Å; Q525-K528 PolarHBondContact O-N 3.38Å; I526-K528 PolarHBondContact O-N 3.42Å; K528-K530 VanDerWaalsContact C-N 3.32Å; K528-K530 PolarHBondContact O-N 3.14Å; K528-K531 PolarHBondContact O-N 3.24Å; K528-V532 WeakPolarHBondContact O-CG2 3.43Å; K528-V532 PolarHBondContact O-N 3.03Å
529	L	97.8	Very high	96.1	Very high	2 Å²	2	71.9 Å²	71.9	1%	0.01	36%	0.362	C	S	.	.	H	α-helix	trans	-59.8	-42.3	-178.9	-175.3	58.3	0	0	0	112	D158 D160 D176 T177 Q525 I526 V532 R533	D158-L529 HydrophobicContact CB-CD2 3.81Å; D160-L529 HydrophobicContact CB-CD2 4.2Å; D176-L529 HydrophobicContact CB-CD1 4.01Å; T177-L529 HydrophobicContact CG2-CD1 3.78Å; Q525-L529 WeakPolarHBondContact O-CB 3.5Å; Q525-L529 PolarHBondContact O-N 2.79Å; I526-L529 PolarHBondContact O-N 3.34Å; L529-V532 PolarHBondContact O-N 3.3Å; L529-R533 HydrophobicContact CD1-CG 4.5Å; L529-R533 WeakPolarHBondContact O-CG 3.46Å; L529-R533 PolarHBondContact O-N 2.82Å
530	K	98.2	Very high	96.6	Very high	119 Å²	119	70.4 Å²	70.4	52%	0.517	35%	0.353	S	S	.	.	H	α-helix	trans	-58.8	-48.7	174.8	-177.8	175.4	174.3	-179.6	0	111.8	I526 K528 V532 R533 E534	I526-K530 WeakPolarHBondContact O-CB 3.45Å; I526-K530 PolarHBondContact O-N 3.28Å; K528-K530 VanDerWaalsContact C-N 3.32Å; K528-K530 PolarHBondContact O-N 3.14Å; K530-V532 VanDerWaalsContact C-N 3.33Å; K530-V532 PolarHBondContact O-N 3.38Å; K530-R533 PolarHBondContact O-N 3.45Å; K530-E534 WeakPolarHBondContact CE-OE1 3.34Å; K530-E534 HydrophobicContact CG-CG 4.46Å; K530-E534 WeakPolarHBondContact CG-OE1 3.28Å; K530-E534 WeakPolarHBondContact O-CB 3.13Å; K530-E534 WeakPolarHBondContact O-CG 2.97Å; K530-E534 PolarHBondContact O-N 2.9Å
531	K	98.3	Very high	97.1	Very high	139 Å²	139	67.2 Å²	67.2	60%	0.604	34%	0.336	S	S	*	.	H	α-helix	trans	-60.8	-40.6	177.5	-71.7	168.9	-176.2	171.1	0	112.3	D527 K528 E534 S535	D527-K531 VanDerWaalsContact O-CG 3.31Å; D527-K531 WeakPolarHBondContact O-CG 3.42Å; D527-K531 PolarHBondContact O-N 3.48Å; K528-K531 PolarHBondContact O-N 3.24Å; K531-E534 PolarHBondContact O-N 3.2Å; K531-S535 WeakPolarHBondContact O-CB 3.48Å; K531-S535 PolarHBondContact O-N 2.9Å; K531-S535 VanDerWaalsContact O-N 3.07Å; K531-S535 PolarHBondContact O-OG 3.32Å
532	V	98.2	Very high	97.4	Very high	14 Å²	14	72.6 Å²	72.6	9%	0.085	36%	0.358	C	S	.	.	H	α-helix	trans	-64.6	-45.6	177.4	173.7	0	0	0	0	110.7	T177 E179 K528 L529 K530 E534 S535 R536 R570	T177-V532 HydrophobicContact CG2-CB 4.49Å; T177-V532 HydrophobicContact CG2-CG1 4.02Å; E179-V532 HydrophobicContact CB-CG2 4.39Å; E179-V532 HydrophobicContact CG-CG2 3.99Å; K528-V532 WeakPolarHBondContact O-CG2 3.43Å; K528-V532 PolarHBondContact O-N 3.03Å; L529-V532 PolarHBondContact O-N 3.3Å; K530-V532 VanDerWaalsContact C-N 3.33Å; K530-V532 PolarHBondContact O-N 3.38Å; V532-E534 VanDerWaalsContact C-N 3.35Å; V532-E534 PolarHBondContact O-N 3.47Å; V532-S535 PolarHBondContact O-N 3.44Å; V532-S535 PolarHBondContact O-OG 2.69Å; V532-R536 WeakPolarHBondContact O-CB 3.39Å; V532-R536 WeakPolarHBondContact O-CG 3.48Å; V532-R536 PolarHBondContact O-N 2.89Å; V532-R536 VanDerWaalsContact O-N 3.1Å; V532-R570 HydrophobicContact CG1-CB 3.7Å; V532-R570 HydrophobicContact CG1-CG 3.96Å
533	R	97.8	Very high	97.7	Very high	80 Å²	80	77.1 Å²	77.1	30%	0.302	38%	0.375	S	S	.	.	H	α-helix	trans	-65.3	-34.9	178	-71.7	177.9	179.5	158.8	2.3	112.9	D158 D160 L529 K530 E575	D158-R533 IonicContact OD2-CZ 3.43Å; D158-R533 IonicContact OD2-NH2 2.98Å; D158-R533 PolarHBondContact OD2-NH2 3.33Å; D160-R533 IonicContact OD1-NH2 3.66Å; D160-R533 IonicContact OD2-CZ 3.25Å; D160-R533 IonicContact OD2-NH1 3.32Å; D160-R533 PolarHBondContact OD2-NH1 3.21Å; D160-R533 IonicContact OD2-NH2 2.91Å; L529-R533 HydrophobicContact CD1-CG 4.5Å; L529-R533 WeakPolarHBondContact O-CG 3.46Å; L529-R533 PolarHBondContact O-N 2.82Å; K530-R533 PolarHBondContact O-N 3.45Å; R533-E575 IonicContact NE-OE1 2.75Å
534	E	97.8	Very high	97.9	Very high	137 Å²	137	74.4 Å²	74.4	64%	0.64	36%	0.362	S	S	*	.	H	α-helix	trans	-73.5	-30.1	177.5	-74.9	173.3	176.2	0	0	113.5	K530 K531 V532	K530-E534 WeakPolarHBondContact CE-OE1 3.34Å; K530-E534 HydrophobicContact CG-CG 4.46Å; K530-E534 WeakPolarHBondContact CG-OE1 3.28Å; K530-E534 WeakPolarHBondContact O-CB 3.13Å; K530-E534 WeakPolarHBondContact O-CG 2.97Å; K530-E534 PolarHBondContact O-N 2.9Å; K531-E534 PolarHBondContact O-N 3.2Å; V532-E534 VanDerWaalsContact C-N 3.35Å; V532-E534 PolarHBondContact O-N 3.47Å
535	S	97.3	Very high	98.1	Very high	100 Å²	100	70.8 Å²	70.8	70%	0.699	35%	0.348	S	S	*	.	H	α-helix	trans	-98	-17.8	-173.7	58	0	0	0	0	114.9	K531 V532	K531-S535 WeakPolarHBondContact O-CB 3.48Å; K531-S535 PolarHBondContact O-N 2.9Å; K531-S535 VanDerWaalsContact O-N 3.07Å; K531-S535 PolarHBondContact O-OG 3.32Å; V532-S535 PolarHBondContact O-N 3.44Å; V532-S535 PolarHBondContact O-OG 2.69Å
536	R	98.1	Very high	98.1	Very high	50 Å²	50	73.3 Å²	73.3	19%	0.189	37%	0.366	C	S	.	.	S	Bend	trans	-75.7	161.7	179.5	73.1	-178.1	-175.9	-175.3	2.9	112.8	V532 A538 R570 E575	V532-R536 WeakPolarHBondContact O-CB 3.39Å; V532-R536 WeakPolarHBondContact O-CG 3.48Å; V532-R536 PolarHBondContact O-N 2.89Å; V532-R536 VanDerWaalsContact O-N 3.1Å; R536-A538 PolarHBondContact O-N 3.05Å; R536-R570 HydrophobicContact CB-CB 3.99Å; R536-R570 WeakPolarHBondContact CD-O 3.27Å; R536-R570 PolarHBondContact NH1-O 3.32Å; R536-E575 IonicContact CZ-OE1 3.25Å; R536-E575 IonicContact CZ-OE2 3.93Å; R536-E575 IonicContact NH1-OE1 2.63Å; R536-E575 PolarHBondContact NH1-OE1 3.19Å; R536-E575 IonicContact NH1-OE2 2.64Å; R536-E575 PolarHBondContact NH1-OE2 2.89Å; R536-E575 IonicContact NH2-OE1 2.94Å; R536-E575 PolarHBondContact NH2-OE1 3.32Å; R536-E575 IonicContact NH2-OE2 2.69Å
537	D	98.4	Very high	98.2	Very high	95 Å²	95	72.4 Å²	72.4	51%	0.508	37%	0.367	S	S	.	.			trans	-75.1	105.9	166.7	-174.8	-34.7	0	0	0	110.1	E539 V540 A541	D537-E539 VanDerWaalsContact C-N 3.32Å; D537-E539 PolarHBondContact O-N 2.96Å; D537-E539 PolarHBondContact OD1-N 3.33Å; D537-V540 HydrophobicContact CB-CB 4.04Å; D537-V540 HydrophobicContact CB-CG2 3.91Å; D537-V540 PolarHBondContact O-N 3.29Å; D537-V540 PolarHBondContact OD1-N 3.3Å; D537-V540 VanDerWaalsContact OD2-CG2 3.27Å; D537-V540 WeakPolarHBondContact OD2-CG2 3.3Å; D537-A541 WeakPolarHBondContact O-CB 3.43Å; D537-A541 PolarHBondContact O-N 3.18Å
538	A	97.7	Very high	98.2	Very high	61 Å²	61	68 Å²	68	50%	0.504	34%	0.344	S	S	.	.	H	α-helix	trans	-64.6	-33	-177.3	0	0	0	0	0	113.4	R536 K542	R536-A538 PolarHBondContact O-N 3.05Å; A538-K542 WeakPolarHBondContact O-CB 3.49Å; A538-K542 PolarHBondContact O-N 2.66Å
539	E	98.3	Very high	98.3	Very high	111 Å²	111	68.6 Å²	68.6	52%	0.519	35%	0.347	S	S	.	.	H	α-helix	trans	-75	-38.1	-179.5	-70.9	-58.7	131.1	0	0	111.2	D537 R543	D537-E539 VanDerWaalsContact C-N 3.32Å; D537-E539 PolarHBondContact O-N 2.96Å; D537-E539 PolarHBondContact OD1-N 3.33Å; E539-R543 WeakPolarHBondContact O-CG 3.23Å; E539-R543 PolarHBondContact O-N 3.05Å
540	V	98.5	Very high	98.3	Very high	45 Å²	45	73.2 Å²	73.2	27%	0.273	37%	0.369	S	S	.	.	H	α-helix	trans	-63.5	-47.7	172.2	177.7	0	0	0	0	110.5	D537 K542 R543 C544 A569	D537-V540 HydrophobicContact CB-CB 4.04Å; D537-V540 HydrophobicContact CB-CG2 3.91Å; D537-V540 PolarHBondContact O-N 3.29Å; D537-V540 PolarHBondContact OD1-N 3.3Å; D537-V540 VanDerWaalsContact OD2-CG2 3.27Å; D537-V540 WeakPolarHBondContact OD2-CG2 3.3Å; V540-K542 PolarHBondContact O-N 3.47Å; V540-R543 VanDerWaalsContact CG2-NH2 3.25Å; V540-R543 PolarHBondContact O-N 3.02Å; V540-C544 PolarHBondContact O-N 2.67Å; V540-C544 PolarHBondContact O-SG 2.95Å; V540-A569 HydrophobicContact CG1-CB 3.78Å
541	A	98.6	Very high	98.4	Very high	1 Å²	1	67.7 Å²	67.7	1%	0.008	35%	0.345	C	S	.	.	H	α-helix	trans	-56.8	-49.3	178.2	0	0	0	0	0	111.2	D537 R543 C544 L545	D537-A541 WeakPolarHBondContact O-CB 3.43Å; D537-A541 PolarHBondContact O-N 3.18Å; A541-R543 PolarHBondContact O-N 2.87Å; A541-C544 PolarHBondContact O-N 2.94Å; A541-C544 VanDerWaalsContact O-N 3.17Å; A541-L545 WeakPolarHBondContact O-CG 3.29Å; A541-L545 PolarHBondContact O-N 3.33Å
542	K	98.6	Very high	98.3	Very high	127 Å²	127	61.1 Å²	61.1	55%	0.552	32%	0.317	S	S	*	.	H	α-helix	trans	-57.7	-45.3	177.5	-175.2	178.9	178.7	-176.9	0	112.5	A538 V540 C544 L545 S546	A538-K542 WeakPolarHBondContact O-CB 3.49Å; A538-K542 PolarHBondContact O-N 2.66Å; V540-K542 PolarHBondContact O-N 3.47Å; K542-C544 VanDerWaalsContact C-N 3.34Å; K542-C544 PolarHBondContact O-N 2.98Å; K542-L545 PolarHBondContact O-N 3.25Å; K542-S546 PolarHBondContact O-N 3.49Å; K542-S546 PolarHBondContact O-OG 3.44Å
543	R	98.7	Very high	98.3	Very high	152 Å²	152	67.3 Å²	67.3	57%	0.574	34%	0.339	S	S	*	.	H	α-helix	trans	-61	-41.1	176.9	-74.9	-168.6	-57.1	-100.2	3.3	112.4	E539 V540 A541 S546 A547	E539-R543 WeakPolarHBondContact O-CG 3.23Å; E539-R543 PolarHBondContact O-N 3.05Å; V540-R543 VanDerWaalsContact CG2-NH2 3.25Å; V540-R543 PolarHBondContact O-N 3.02Å; A541-R543 PolarHBondContact O-N 2.87Å; R543-S546 PolarHBondContact O-N 2.92Å; R543-A547 PolarHBondContact O-N 2.7Å
544	C	98.8	Very high	98.3	Very high	22 Å²	22	66.1 Å²	66.1	15%	0.149	34%	0.34	C	S	.	.	H	α-helix	trans	-64.5	-44.2	178.4	-62.8	0	0	0	0	111.4	V540 A541 K542 A547 I548 A566	V540-C544 PolarHBondContact O-N 2.67Å; V540-C544 PolarHBondContact O-SG 2.95Å; A541-C544 PolarHBondContact O-N 2.94Å; A541-C544 VanDerWaalsContact O-N 3.17Å; K542-C544 VanDerWaalsContact C-N 3.34Å; K542-C544 PolarHBondContact O-N 2.98Å; C544-A547 WeakPolarHBondContact O-CB 3.36Å; C544-A547 PolarHBondContact O-N 2.75Å; C544-I548 WeakPolarHBondContact O-CG1 3.46Å; C544-I548 PolarHBondContact O-N 3.32Å; C544-I548 VanDerWaalsContact O-N 3.09Å; C544-A566 HydrophobicContact CB-CB 3.83Å
545	L	98.8	Very high	98.1	Very high	32 Å²	32	63.6 Å²	63.6	17%	0.168	33%	0.325	C	S	.	.	H	α-helix	trans	-63.7	-42.9	177.3	-63.8	174.2	0	0	0	111.9	A541 K542 A547 I548 E549 C571 E575 I576 A579	A541-L545 WeakPolarHBondContact O-CG 3.29Å; A541-L545 PolarHBondContact O-N 3.33Å; K542-L545 PolarHBondContact O-N 3.25Å; L545-A547 VanDerWaalsContact C-N 3.29Å; L545-A547 PolarHBondContact O-N 2.97Å; L545-I548 PolarHBondContact O-N 3.48Å; L545-E549 PolarHBondContact O-N 2.9Å; L545-C571 HydrophobicContact CD2-CB 4.04Å; L545-E575 HydrophobicContact CD1-CB 3.93Å; L545-E575 HydrophobicContact CD1-CG 4.4Å; L545-E575 HydrophobicContact CD2-CB 3.94Å; L545-I576 HydrophobicContact CD2-CG1 4.16Å; L545-A579 HydrophobicContact CB-CB 4.39Å; L545-A579 HydrophobicContact CD2-CB 4.29Å
546	S	98.7	Very high	97.9	Very high	62 Å²	62	66.1 Å²	66.1	43%	0.434	33%	0.326	S	S	.	.	H	α-helix	trans	-62.1	-35.5	174.6	-63.4	0	0	0	0	112.7	K542 R543 E549 E550	K542-S546 PolarHBondContact O-N 3.49Å; K542-S546 PolarHBondContact O-OG 3.44Å; R543-S546 PolarHBondContact O-N 2.92Å; S546-E549 PolarHBondContact O-N 3.36Å; S546-E550 WeakPolarHBondContact O-CB 3.36Å; S546-E550 PolarHBondContact O-N 3.11Å
547	A	98.8	Very high	97.8	Very high	37 Å²	37	66.7 Å²	66.7	31%	0.306	35%	0.347	S	S	.	.	H	α-helix	trans	-67.3	-37	175.3	0	0	0	0	0	112.3	R543 C544 L545 E550 C551 L562	R543-A547 PolarHBondContact O-N 2.7Å; C544-A547 WeakPolarHBondContact O-CB 3.36Å; C544-A547 PolarHBondContact O-N 2.75Å; L545-A547 VanDerWaalsContact C-N 3.29Å; L545-A547 PolarHBondContact O-N 2.97Å; A547-E550 PolarHBondContact O-N 2.8Å; A547-C551 VanDerWaalsContact O-CB 3.29Å; A547-C551 WeakPolarHBondContact O-CB 3.47Å; A547-C551 PolarHBondContact O-N 3.45Å; A547-L562 HydrophobicContact CB-CD2 4.2Å
548	I	98.8	Very high	97.7	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-64.9	-44.6	174.2	-68.2	170.1	0	0	0	110.7	C544 L545 E550 C551 A552 L559 L562 A566 I576 A579 M580	C544-I548 WeakPolarHBondContact O-CG1 3.46Å; C544-I548 PolarHBondContact O-N 3.32Å; C544-I548 VanDerWaalsContact O-N 3.09Å; L545-I548 PolarHBondContact O-N 3.48Å; I548-E550 VanDerWaalsContact C-N 3.35Å; I548-E550 PolarHBondContact O-N 3.48Å; I548-C551 PolarHBondContact O-N 2.94Å; I548-A552 WeakPolarHBondContact O-CB 3.37Å; I548-A552 PolarHBondContact O-N 3.29Å; I548-L559 HydrophobicContact CG2-CD2 4.41Å; I548-L562 HydrophobicContact CG1-CB 3.79Å; I548-A566 HydrophobicContact CD1-CB 3.74Å; I548-I576 HydrophobicContact CD1-CG1 4.31Å; I548-I576 HydrophobicContact CD1-CG2 4.14Å; I548-A579 HydrophobicContact CB-CB 4.25Å; I548-A579 HydrophobicContact CG2-CB 4Å; I548-M580 HydrophobicContact CG2-CG 3.58Å
549	E	98.6	Very high	97.8	Very high	55 Å²	55	60.9 Å²	60.9	26%	0.257	31%	0.308	S	S	.	.	H	α-helix	trans	-60.2	-44.9	176.3	-170.4	-168.2	143.7	0	0	111.5	L545 S546 A552 R553 V582 V583	L545-E549 PolarHBondContact O-N 2.9Å; S546-E549 PolarHBondContact O-N 3.36Å; E549-A552 WeakPolarHBondContact O-CB 3.44Å; E549-A552 PolarHBondContact O-N 3.44Å; E549-R553 WeakPolarHBondContact O-CB 3.5Å; E549-R553 PolarHBondContact O-N 2.76Å; E549-R553 IonicContact OE1-CZ 3.54Å; E549-R553 IonicContact OE1-NH2 3.52Å; E549-R553 PolarHBondContact OE1-NH2 3.01Å; E549-V582 HydrophobicContact CG-CB 4.36Å; E549-V582 HydrophobicContact CG-CG1 4.15Å; E549-V583 HydrophobicContact CG-CG2 3.95Å
550	E	98.6	Very high	97.8	Very high	98 Å²	98	55.6 Å²	55.6	46%	0.458	28%	0.283	S	S	.	.	H	α-helix	trans	-66	-39.8	178.4	-173.8	61.9	-171.1	0	0	112	S546 A547 I548 R553 T554	S546-E550 WeakPolarHBondContact O-CB 3.36Å; S546-E550 PolarHBondContact O-N 3.11Å; A547-E550 PolarHBondContact O-N 2.8Å; I548-E550 VanDerWaalsContact C-N 3.35Å; I548-E550 PolarHBondContact O-N 3.48Å; E550-R553 PolarHBondContact O-N 2.95Å; E550-T554 HydrophobicContact CG-CG2 4.18Å; E550-T554 WeakPolarHBondContact O-CB 3.48Å; E550-T554 WeakPolarHBondContact O-CG2 3.36Å; E550-T554 PolarHBondContact O-N 3.33Å; E550-T554 PolarHBondContact O-OG1 2.93Å; E550-T554 WeakPolarHBondContact OE1-CG2 3.48Å
551	C	98.4	Very high	97.8	Very high	3 Å²	3	54.3 Å²	54.3	2%	0.02	28%	0.279	C	S	.	.	H	α-helix	trans	-62.8	-42.5	173.8	-177.4	0	0	0	0	111.6	A547 I548 R553 R555 E556 L559 L562	A547-C551 VanDerWaalsContact O-CB 3.29Å; A547-C551 WeakPolarHBondContact O-CB 3.47Å; A547-C551 PolarHBondContact O-N 3.45Å; I548-C551 PolarHBondContact O-N 2.94Å; C551-R553 VanDerWaalsContact C-N 3.27Å; C551-R553 PolarHBondContact O-N 3.18Å; C551-R555 WeakPolarHBondContact O-CA 3.27Å; C551-R555 PolarHBondContact O-N 3.21Å; C551-E556 PolarHBondContact SG-O 3.26Å; C551-L559 HydrophobicContact CB-CD2 4.23Å; C551-L562 HydrophobicContact CB-CD1 3.34Å
552	A	97.8	Very high	97.8	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.008	29%	0.291	C	S	.	.	H	α-helix	trans	-59.7	-38.9	174.5	0	0	0	0	0	111.9	I548 E549 L559 V583 F584	I548-A552 WeakPolarHBondContact O-CB 3.37Å; I548-A552 PolarHBondContact O-N 3.29Å; E549-A552 WeakPolarHBondContact O-CB 3.44Å; E549-A552 PolarHBondContact O-N 3.44Å; A552-L559 HydrophobicContact CB-CD2 4.45Å; A552-V583 HydrophobicContact CB-CB 4.03Å; A552-V583 HydrophobicContact CB-CG1 4.4Å; A552-V583 HydrophobicContact CB-CG2 4.05Å; A552-F584 HydrophobicContact CB-CD1 4.48Å; A552-F584 HydrophobicContact CB-CE1 3.64Å; A552-F584 HydrophobicContact CB-CE2 4Å; A552-F584 HydrophobicContact CB-CZ 3.35Å; A552-F584 WeakPolarHBondContact O-CE1 3.42Å
553	R	97.6	Very high	97.8	Very high	145 Å²	145	50.6 Å²	50.6	55%	0.547	27%	0.265	S	S	.	.	H	α-helix	trans	-73.8	-49.2	-179.3	-170.1	-178.3	-59.6	-140.2	2.7	113.4	E549 E550 C551 V583	E549-R553 WeakPolarHBondContact O-CB 3.5Å; E549-R553 PolarHBondContact O-N 2.76Å; E549-R553 IonicContact OE1-CZ 3.54Å; E549-R553 IonicContact OE1-NH2 3.52Å; E549-R553 PolarHBondContact OE1-NH2 3.01Å; E550-R553 PolarHBondContact O-N 2.95Å; C551-R553 VanDerWaalsContact C-N 3.27Å; C551-R553 PolarHBondContact O-N 3.18Å; R553-V583 HydrophobicContact CB-CG1 4.36Å; R553-V583 HydrophobicContact CB-CG2 4.12Å
554	T	96.9	Very high	97.8	Very high	54 Å²	54	43.4 Å²	43.4	33%	0.331	24%	0.238	S	C	.	.	H	α-helix	trans	-87.3	-23	-172.6	58.2	0	0	0	0	113	E550 E556	E550-T554 HydrophobicContact CG-CG2 4.18Å; E550-T554 WeakPolarHBondContact O-CB 3.48Å; E550-T554 WeakPolarHBondContact O-CG2 3.36Å; E550-T554 PolarHBondContact O-N 3.33Å; E550-T554 PolarHBondContact O-OG1 2.93Å; E550-T554 WeakPolarHBondContact OE1-CG2 3.48Å; T554-E556 PolarHBondContact O-N 2.89Å; T554-E556 PolarHBondContact OG1-N 3.34Å; T554-E556 VanDerWaalsContact OG1-N 3.13Å
555	R	93.4	Very high	97.8	Very high	84 Å²	84	46.8 Å²	46.8	32%	0.317	25%	0.252	S	S	.	.			trans	60.7	16.6	-165.8	-46.8	-59.6	-166.9	167.6	3.1	113.2	E247 H251 C551 F584	E247-R555 IonicContact OE2-NH2 2.68Å; E247-R555 PolarHBondContact OE2-NH2 2.95Å; E247-R555 VanDerWaalsContact OE2-NH2 3.11Å; H251-R555 PolarHBondContact CD2-NH1 3.39Å; C551-R555 WeakPolarHBondContact O-CA 3.27Å; C551-R555 PolarHBondContact O-N 3.21Å; R555-F584 VanDerWaalsContact CZ-CE1 3.44Å
556	E	94.1	Very high	97.8	Very high	153 Å²	153	45.3 Å²	45.3	72%	0.715	24%	0.244	S	C	*	.			trans	-92.3	133	172.9	-64.4	-172.3	175.6	0	0	110.2	C551 T554	C551-E556 PolarHBondContact SG-O 3.26Å; T554-E556 PolarHBondContact O-N 2.89Å; T554-E556 PolarHBondContact OG1-N 3.34Å; T554-E556 VanDerWaalsContact OG1-N 3.13Å
557	G	95.1	Very high	97.8	Very high	63 Å²	63	42.3 Å²	42.3	65%	0.649	22%	0.223	S	C	*	.	S	Bend	trans	98.6	-157.8	-174.1	0	0	0	0	0	112.7
558	N	97.9	Very high	97.8	Very high	32 Å²	32	44.1 Å²	44.1	17%	0.171	22%	0.222	C	C	.	.			trans	-142.2	120.1	179	-179	-92.3	0	0	0	109.2	D255 L560 G561 L562	D255-N558 VanDerWaalsContact CA-ND2 3.35Å; D255-N558 WeakPolarHBondContact CA-ND2 3.26Å; D255-N558 WeakPolarHBondContact CB-ND2 3.5Å; D255-N558 PolarHBondContact O-ND2 3.45Å; D255-N558 WeakPolarHBondContact OD2-CA 3.33Å; N558-L560 VanDerWaalsContact C-N 3.33Å; N558-L560 PolarHBondContact O-N 3.32Å; N558-L560 PolarHBondContact OD1-N 3.39Å; N558-G561 PolarHBondContact O-N 3.28Å; N558-G561 VanDerWaalsContact O-N 3.14Å; N558-G561 PolarHBondContact OD1-N 2.97Å; N558-L562 PolarHBondContact O-N 3.1Å
559	L	98.3	Very high	97.8	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-57.2	-43.5	-175.5	-71.8	170.8	0	0	0	112.2	I204 A252 D255 I548 C551 A552 L562 A563 M580 F584	I204-L559 HydrophobicContact CD1-CB 4.16Å; A252-L559 HydrophobicContact CB-CD1 4.43Å; D255-L559 HydrophobicContact CB-CB 4.44Å; D255-L559 WeakPolarHBondContact OD2-CB 3.38Å; D255-L559 WeakPolarHBondContact OD2-CG 3.36Å; D255-L559 PolarHBondContact OD2-N 3.17Å; I548-L559 HydrophobicContact CG2-CD2 4.41Å; C551-L559 HydrophobicContact CB-CD2 4.23Å; A552-L559 HydrophobicContact CB-CD2 4.45Å; L559-L562 PolarHBondContact O-N 3.31Å; L559-A563 VanDerWaalsContact O-CB 3.26Å; L559-A563 WeakPolarHBondContact O-CB 3.48Å; L559-A563 PolarHBondContact O-N 3.44Å; L559-M580 HydrophobicContact CD1-SD 4.45Å; L559-M580 HydrophobicContact CD2-CG 4.37Å; L559-M580 HydrophobicContact CD2-SD 4.29Å; L559-F584 HydrophobicContact CD1-CE2 4.35Å; L559-F584 HydrophobicContact CD1-CZ 4.35Å
560	L	98.7	Very high	97.8	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-66.5	-41.6	178.6	-179.2	60.5	0	0	0	111.5	I204 L207 A208 I211 I256 Y259 N558 L562 A563 V564	I204-L560 HydrophobicContact CD1-CB 4.21Å; L207-L560 HydrophobicContact CB-CD1 4.11Å; L207-L560 HydrophobicContact CD2-CD1 4.12Å; L207-L560 HydrophobicContact CD2-CD2 3.62Å; L207-L560 HydrophobicContact CG-CD1 4.05Å; L207-L560 HydrophobicContact CG-CD2 4.21Å; A208-L560 HydrophobicContact CB-CD1 4.28Å; I211-L560 HydrophobicContact CD1-CD1 4.36Å; I211-L560 HydrophobicContact CD1-CD2 4.33Å; I211-L560 HydrophobicContact CD1-CG 4.5Å; I256-L560 HydrophobicContact CG1-CB 4.45Å; I256-L560 HydrophobicContact CG1-CD2 4.21Å; Y259-L560 HydrophobicContact CD1-CD2 3.56Å; Y259-L560 HydrophobicContact CD1-CG 4.12Å; Y259-L560 HydrophobicContact CE1-CD2 4.27Å; Y259-L560 HydrophobicContact CG-CB 4.37Å; Y259-L560 HydrophobicContact CG-CD2 3.79Å; Y259-L560 HydrophobicContact CG-CG 4.12Å; N558-L560 VanDerWaalsContact C-N 3.33Å; N558-L560 PolarHBondContact O-N 3.32Å; N558-L560 PolarHBondContact OD1-N 3.39Å; L560-L562 PolarHBondContact O-N 3.42Å; L560-A563 PolarHBondContact O-N 3.06Å; L560-V564 WeakPolarHBondContact O-CG2 3.21Å; L560-V564 PolarHBondContact O-N 3.25Å
561	G	98.5	Very high	97.8	Very high	19 Å²	19	40.3 Å²	40.3	20%	0.196	20%	0.204	C	C	.	.	H	α-helix	trans	-58.3	-45.9	176.1	0	0	0	0	0	112.6	N558 V564 E565	N558-G561 PolarHBondContact O-N 3.28Å; N558-G561 VanDerWaalsContact O-N 3.14Å; N558-G561 PolarHBondContact OD1-N 2.97Å; G561-V564 PolarHBondContact O-N 3.08Å; G561-E565 PolarHBondContact O-N 3.4Å
562	L	98.8	Very high	97.9	Very high	49 Å²	49	40.1 Å²	40.1	26%	0.257	20%	0.203	S	C	.	.	H	α-helix	trans	-69.9	-35.7	177	-66.5	172	0	0	0	112.5	A547 I548 C551 N558 L559 L560 V564 E565 A566	A547-L562 HydrophobicContact CB-CD2 4.2Å; I548-L562 HydrophobicContact CG1-CB 3.79Å; C551-L562 HydrophobicContact CB-CD1 3.34Å; N558-L562 PolarHBondContact O-N 3.1Å; L559-L562 PolarHBondContact O-N 3.31Å; L560-L562 PolarHBondContact O-N 3.42Å; L562-V564 VanDerWaalsContact C-N 3.32Å; L562-V564 PolarHBondContact O-N 3.36Å; L562-E565 WeakPolarHBondContact O-CB 3.46Å; L562-E565 PolarHBondContact O-N 3.42Å; L562-A566 PolarHBondContact O-N 2.98Å
563	A	98.9	Very high	97.9	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-65.8	-32.9	175.1	0	0	0	0	0	112.7	I204 A208 L559 L560 E565 A566 A567 I576	I204-A563 HydrophobicContact CG2-CB 3.34Å; A208-A563 VanDerWaalsContact CB-C 3.46Å; A208-A563 HydrophobicContact CB-CB 3.84Å; A208-A563 WeakPolarHBondContact CB-O 3.48Å; L559-A563 VanDerWaalsContact O-CB 3.26Å; L559-A563 WeakPolarHBondContact O-CB 3.48Å; L559-A563 PolarHBondContact O-N 3.44Å; L560-A563 PolarHBondContact O-N 3.06Å; A563-E565 VanDerWaalsContact C-N 3.33Å; A563-A566 PolarHBondContact O-N 3.44Å; A563-A567 VanDerWaalsContact O-CB 3.31Å; A563-A567 WeakPolarHBondContact O-CB 3.37Å; A563-A567 PolarHBondContact O-N 3.38Å; A563-I576 HydrophobicContact CB-CG2 4.3Å
564	V	98.9	Very high	98	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.006	18%	0.179	C	C	.	.	H	α-helix	trans	-61.8	-42	171.7	167.5	0	0	0	0	110.9	A208 I211 V212 L560 G561 L562 R568	A208-V564 HydrophobicContact CB-CG2 3.95Å; I211-V564 HydrophobicContact CB-CG2 4.15Å; I211-V564 HydrophobicContact CD1-CG2 3.84Å; I211-V564 HydrophobicContact CG2-CG1 4.18Å; I211-V564 HydrophobicContact CG2-CG2 4Å; V212-V564 HydrophobicContact CG2-CG1 3.98Å; V212-V564 WeakPolarHBondContact CG2-O 3.46Å; L560-V564 WeakPolarHBondContact O-CG2 3.21Å; L560-V564 PolarHBondContact O-N 3.25Å; G561-V564 PolarHBondContact O-N 3.08Å; L562-V564 VanDerWaalsContact C-N 3.32Å; L562-V564 PolarHBondContact O-N 3.36Å; V564-R568 WeakPolarHBondContact O-CB 3.4Å; V564-R568 PolarHBondContact O-N 2.93Å
565	E	98.8	Very high	98.1	Very high	94 Å²	94	32.6 Å²	32.6	44%	0.439	17%	0.171	S	C	.	.	H	α-helix	trans	-64.3	-43.7	174.1	-59.2	-55.2	121.3	0	0	111.8	G561 L562 A563 R568 A569	G561-E565 PolarHBondContact O-N 3.4Å; L562-E565 WeakPolarHBondContact O-CB 3.46Å; L562-E565 PolarHBondContact O-N 3.42Å; A563-E565 VanDerWaalsContact C-N 3.33Å; E565-R568 PolarHBondContact O-N 3.22Å; E565-R568 IonicContact OE1-CZ 3.83Å; E565-R568 IonicContact OE1-NH1 2.78Å; E565-R568 PolarHBondContact OE1-NH1 2.94Å; E565-R568 IonicContact OE1-NH2 2.66Å; E565-R568 IonicContact OE2-NH1 2.76Å; E565-R568 PolarHBondContact OE2-NH1 2.77Å; E565-A569 WeakPolarHBondContact O-CB 3.31Å; E565-A569 PolarHBondContact O-N 2.87Å
566	A	98.9	Very high	98.3	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-63.6	-43.9	177	0	0	0	0	0	112.6	C544 I548 L562 A563 R568 A569 R570 C571 I576	C544-A566 HydrophobicContact CB-CB 3.83Å; I548-A566 HydrophobicContact CD1-CB 3.74Å; L562-A566 PolarHBondContact O-N 2.98Å; A563-A566 PolarHBondContact O-N 3.44Å; A566-R568 VanDerWaalsContact C-N 3.31Å; A566-R568 PolarHBondContact O-N 2.9Å; A566-A569 CarbonylContact O-C 3.52Å; A566-A569 WeakPolarHBondContact O-CA 3.39Å; A566-A569 WeakPolarHBondContact O-CB 3.42Å; A566-A569 PolarHBondContact O-N 2.84Å; A566-A569 VanDerWaalsContact O-N 3.07Å; A566-R570 PolarHBondContact O-N 3.2Å; A566-C571 HydrophobicContact CB-CB 3.95Å; A566-C571 VanDerWaalsContact O-CB 3.3Å; A566-C571 WeakPolarHBondContact O-CB 3.37Å; A566-C571 PolarHBondContact O-N 2.93Å; A566-I576 HydrophobicContact CB-CD1 3.92Å; A566-I576 HydrophobicContact CB-CG1 3.93Å
567	A	98.8	Very high	98.6	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-61.4	-40.2	175.4	0	0	0	0	0	111.2	V178 A208 M209 V212 A563 A569 R570	V178-A567 WeakPolarHBondContact CG1-O 3.44Å; A208-A567 HydrophobicContact CB-CB 4.04Å; M209-A567 HydrophobicContact CG-CB 3.95Å; V212-A567 HydrophobicContact CG2-CB 4.02Å; A563-A567 VanDerWaalsContact O-CB 3.31Å; A563-A567 WeakPolarHBondContact O-CB 3.37Å; A563-A567 PolarHBondContact O-N 3.38Å; A567-A569 VanDerWaalsContact C-N 3.28Å; A567-A569 PolarHBondContact O-N 3.46Å; A567-R570 PolarHBondContact O-N 2.82Å
568	R	98.7	Very high	98.7	Very high	75 Å²	75	22 Å²	22	28%	0.283	11%	0.111	S	C	.	.	H	α-helix	trans	-64.5	-33.3	173.5	-165.4	179.9	-56.1	104.6	0.5	112.4	V212 E215 V564 E565 A566 R570	V212-R568 HydrophobicContact CG1-CB 4.27Å; V212-R568 HydrophobicContact CG1-CG 4.41Å; V212-R568 HydrophobicContact CG2-CB 4.21Å; E215-R568 IonicContact OE1-NH2 2.82Å; E215-R568 IonicContact OE2-CZ 3.52Å; E215-R568 IonicContact OE2-NE 3.34Å; E215-R568 IonicContact OE2-NH2 2.74Å; E215-R568 PolarHBondContact OE2-NH2 2.8Å; V564-R568 WeakPolarHBondContact O-CB 3.4Å; V564-R568 PolarHBondContact O-N 2.93Å; E565-R568 PolarHBondContact O-N 3.22Å; E565-R568 IonicContact OE1-CZ 3.83Å; E565-R568 IonicContact OE1-NH1 2.78Å; E565-R568 PolarHBondContact OE1-NH1 2.94Å; E565-R568 IonicContact OE1-NH2 2.66Å; E565-R568 IonicContact OE2-NH1 2.76Å; E565-R568 PolarHBondContact OE2-NH1 2.77Å; A566-R568 VanDerWaalsContact C-N 3.31Å; A566-R568 PolarHBondContact O-N 2.9Å; R568-R570 WeakPolarHBondContact O-CD 3.47Å; R568-R570 PolarHBondContact O-N 3.42Å; R568-R570 PolarHBondContact O-NH1 3.36Å
569	A	98.8	Very high	98.8	Very high	15 Å²	15	20.9 Å²	20.9	12%	0.124	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	7.7	172.3	0	0	0	0	0	114	V540 E565 A566 A567 C571	V540-A569 HydrophobicContact CG1-CB 3.78Å; E565-A569 WeakPolarHBondContact O-CB 3.31Å; E565-A569 PolarHBondContact O-N 2.87Å; A566-A569 CarbonylContact O-C 3.52Å; A566-A569 WeakPolarHBondContact O-CA 3.39Å; A566-A569 WeakPolarHBondContact O-CB 3.42Å; A566-A569 PolarHBondContact O-N 2.84Å; A566-A569 VanDerWaalsContact O-N 3.07Å; A567-A569 VanDerWaalsContact C-N 3.28Å; A567-A569 PolarHBondContact O-N 3.46Å; A569-C571 PolarHBondContact O-N 3.09Å
570	R	98.8	Very high	98.8	Very high	57 Å²	57	21 Å²	21	22%	0.215	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.5	32.4	179.9	-77.8	63.4	179.1	169.1	10.4	112.7	V178 E179 E216 V532 R536 A566 A567 R568	V178-R570 HydrophobicContact CG1-CG 4.22Å; E179-R570 IonicContact OE1-CZ 3.55Å; E179-R570 VanDerWaalsContact OE1-CZ 3.32Å; E179-R570 IonicContact OE1-NE 3.65Å; E179-R570 PolarHBondContact OE1-NE 2.93Å; E179-R570 IonicContact OE1-NH2 3.41Å; E179-R570 PolarHBondContact OE1-NH2 3.31Å; E216-R570 IonicContact OE1-CZ 3.86Å; E216-R570 VanDerWaalsContact OE1-CZ 3.25Å; E216-R570 IonicContact OE1-NH1 3.61Å; E216-R570 PolarHBondContact OE1-NH1 3.41Å; E216-R570 IonicContact OE1-NH2 3.2Å; E216-R570 PolarHBondContact OE1-NH2 3.49Å; E216-R570 IonicContact OE2-NH2 3.48Å; E216-R570 PolarHBondContact OE2-NH2 3.39Å; V532-R570 HydrophobicContact CG1-CB 3.7Å; V532-R570 HydrophobicContact CG1-CG 3.96Å; R536-R570 HydrophobicContact CB-CB 3.99Å; R536-R570 WeakPolarHBondContact CD-O 3.27Å; R536-R570 PolarHBondContact NH1-O 3.32Å; A566-R570 PolarHBondContact O-N 3.2Å; A567-R570 PolarHBondContact O-N 2.82Å; R568-R570 WeakPolarHBondContact O-CD 3.47Å; R568-R570 PolarHBondContact O-N 3.42Å; R568-R570 PolarHBondContact O-NH1 3.36Å
571	C	98.9	Very high	98.8	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.111	C	C	.	.			trans	-67.1	142.9	161.1	-63.8	0	0	0	0	109.7	L545 A566 A569 E575 I576	L545-C571 HydrophobicContact CD2-CB 4.04Å; A566-C571 HydrophobicContact CB-CB 3.95Å; A566-C571 VanDerWaalsContact O-CB 3.3Å; A566-C571 WeakPolarHBondContact O-CB 3.37Å; A566-C571 PolarHBondContact O-N 2.93Å; A569-C571 PolarHBondContact O-N 3.09Å; C571-E575 WeakPolarHBondContact CA-OE2 3.29Å; C571-I576 HydrophobicContact CB-CD1 4.09Å; C571-I576 HydrophobicContact CB-CG1 3.89Å
572	S	98.9	Very high	98.7	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.129	C	C	.	.			trans	-83.5	168.7	-179.4	70.6	0	0	0	0	113.1	D158 D176 G574 E575 I576	D158-S572 WeakPolarHBondContact OD1-CB 3.09Å; D158-S572 PolarHBondContact OD1-OG 3.33Å; D158-S572 VanDerWaalsContact OD1-OG 3.09Å; D158-S572 VanDerWaalsContact OD2-CB 3.24Å; D158-S572 WeakPolarHBondContact OD2-CB 3.41Å; D158-S572 PolarHBondContact OD2-OG 3.1Å; D176-S572 CarbonylContact O-C 3.57Å; D176-S572 WeakPolarHBondContact O-CA 3.44Å; D176-S572 VanDerWaalsContact O-CB 3.28Å; D176-S572 WeakPolarHBondContact O-CB 3.38Å; S572-G574 VanDerWaalsContact C-N 3.3Å; S572-E575 PolarHBondContact N-OE2 2.92Å; S572-E575 PolarHBondContact O-N 2.92Å; S572-E575 WeakPolarHBondContact OG-CB 3.47Å; S572-E575 VanDerWaalsContact OG-CG 3.26Å; S572-E575 WeakPolarHBondContact OG-CG 3.32Å; S572-E575 PolarHBondContact OG-N 3.43Å; S572-E575 VanDerWaalsContact OG-N 3.09Å; S572-I576 WeakPolarHBondContact O-CB 3.28Å; S572-I576 WeakPolarHBondContact O-CG1 3.48Å; S572-I576 PolarHBondContact O-N 2.95Å
573	V	98.9	Very high	98.7	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-56.6	-47.6	172.1	168.3	0	0	0	0	109.6	I175 D176 A202 P205 M209 T577	I175-V573 HydrophobicContact CG2-CG2 4.4Å; I175-V573 VanDerWaalsContact O-CG2 3.29Å; I175-V573 WeakPolarHBondContact O-CG2 3.24Å; D176-V573 PolarHBondContact O-N 2.99Å; A202-V573 HydrophobicContact CB-CG1 4.17Å; P205-V573 HydrophobicContact CB-CB 4.47Å; P205-V573 HydrophobicContact CB-CG2 4.24Å; P205-V573 HydrophobicContact CG-CG1 4.11Å; M209-V573 HydrophobicContact CE-CB 4.42Å; M209-V573 HydrophobicContact CE-CG2 3.54Å; M209-V573 HydrophobicContact SD-CG2 3.75Å; V573-T577 VanDerWaalsContact O-CB 3.27Å; V573-T577 WeakPolarHBondContact O-CB 3.23Å; V573-T577 PolarHBondContact O-N 3.27Å; V573-T577 PolarHBondContact O-OG1 3.43Å
574	G	98.8	Very high	98.7	Very high	4 Å²	4	26.9 Å²	26.9	4%	0.041	14%	0.137	C	C	.	.	H	α-helix	trans	-59.3	-50.6	176.9	0	0	0	0	0	112.3	G156 D158 S572 I576 T577 D578	G156-G574 WeakPolarHBondContact O-CA 3.5Å; D158-G574 WeakPolarHBondContact OD1-CA 3.28Å; D158-G574 PolarHBondContact OD1-N 2.63Å; S572-G574 VanDerWaalsContact C-N 3.3Å; G574-I576 PolarHBondContact O-N 3.03Å; G574-T577 PolarHBondContact O-N 3.43Å; G574-D578 VanDerWaalsContact O-CB 3.32Å; G574-D578 WeakPolarHBondContact O-CB 3.29Å; G574-D578 VanDerWaalsContact O-CG 3.27Å; G574-D578 PolarHBondContact O-N 3.49Å
575	E	98.9	Very high	98.6	Very high	38 Å²	38	28.4 Å²	28.4	18%	0.178	15%	0.153	C	C	.	.	H	α-helix	trans	-62.7	-44.3	-178.5	-72.2	169.5	157.7	0	0	113	R533 R536 L545 C571 S572 T577 D578 A579	R533-E575 IonicContact NE-OE1 2.75Å; R536-E575 IonicContact CZ-OE1 3.25Å; R536-E575 IonicContact CZ-OE2 3.93Å; R536-E575 IonicContact NH1-OE1 2.63Å; R536-E575 PolarHBondContact NH1-OE1 3.19Å; R536-E575 IonicContact NH1-OE2 2.64Å; R536-E575 PolarHBondContact NH1-OE2 2.89Å; R536-E575 IonicContact NH2-OE1 2.94Å; R536-E575 PolarHBondContact NH2-OE1 3.32Å; R536-E575 IonicContact NH2-OE2 2.69Å; L545-E575 HydrophobicContact CD1-CB 3.93Å; L545-E575 HydrophobicContact CD1-CG 4.4Å; L545-E575 HydrophobicContact CD2-CB 3.94Å; C571-E575 WeakPolarHBondContact CA-OE2 3.29Å; S572-E575 PolarHBondContact N-OE2 2.92Å; S572-E575 PolarHBondContact O-N 2.92Å; S572-E575 WeakPolarHBondContact OG-CB 3.47Å; S572-E575 VanDerWaalsContact OG-CG 3.26Å; S572-E575 WeakPolarHBondContact OG-CG 3.32Å; S572-E575 PolarHBondContact OG-N 3.43Å; S572-E575 VanDerWaalsContact OG-N 3.09Å; E575-T577 VanDerWaalsContact C-N 3.32Å; E575-D578 PolarHBondContact O-N 3.34Å; E575-A579 WeakPolarHBondContact O-CB 3.46Å; E575-A579 PolarHBondContact O-N 3.25Å
576	I	98.9	Very high	98.5	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-64.8	-40.8	177.4	-69.7	167.7	0	0	0	110.5	I204 P205 M209 L545 I548 A563 A566 C571 S572 G574 M580	I204-I576 HydrophobicContact CG2-CG2 4.35Å; P205-I576 HydrophobicContact CB-CB 4Å; P205-I576 HydrophobicContact CB-CD1 3.98Å; P205-I576 HydrophobicContact CB-CG2 3.81Å; P205-I576 HydrophobicContact CG-CG2 4.2Å; M209-I576 HydrophobicContact CE-CD1 4.48Å; L545-I576 HydrophobicContact CD2-CG1 4.16Å; I548-I576 HydrophobicContact CD1-CG1 4.31Å; I548-I576 HydrophobicContact CD1-CG2 4.14Å; A563-I576 HydrophobicContact CB-CG2 4.3Å; A566-I576 HydrophobicContact CB-CD1 3.92Å; A566-I576 HydrophobicContact CB-CG1 3.93Å; C571-I576 HydrophobicContact CB-CD1 4.09Å; C571-I576 HydrophobicContact CB-CG1 3.89Å; S572-I576 WeakPolarHBondContact O-CB 3.28Å; S572-I576 WeakPolarHBondContact O-CG1 3.48Å; S572-I576 PolarHBondContact O-N 2.95Å; G574-I576 PolarHBondContact O-N 3.03Å; I576-M580 HydrophobicContact CG2-CE 4.11Å; I576-M580 WeakPolarHBondContact O-CE 3.47Å; I576-M580 PolarHBondContact O-N 3.32Å
577	T	98.9	Very high	98.4	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-65.4	-47.3	177.5	-56.9	0	0	0	0	110.6	G156 I243 F244 V573 G574 E575 A579 M580 K581	G156-T577 WeakPolarHBondContact CA-OG1 3.33Å; I243-T577 HydrophobicContact CD1-CG2 3.74Å; I243-T577 HydrophobicContact CG2-CG2 3.95Å; F244-T577 HydrophobicContact CZ-CG2 4.03Å; V573-T577 VanDerWaalsContact O-CB 3.27Å; V573-T577 WeakPolarHBondContact O-CB 3.23Å; V573-T577 PolarHBondContact O-N 3.27Å; V573-T577 PolarHBondContact O-OG1 3.43Å; G574-T577 PolarHBondContact O-N 3.43Å; E575-T577 VanDerWaalsContact C-N 3.32Å; T577-A579 VanDerWaalsContact C-N 3.33Å; T577-A579 PolarHBondContact O-N 2.85Å; T577-M580 WeakPolarHBondContact O-CB 3.28Å; T577-M580 PolarHBondContact O-N 2.85Å; T577-M580 VanDerWaalsContact O-N 3.09Å; T577-K581 HydrophobicContact CG2-CD 4.24Å; T577-K581 HydrophobicContact CG2-CG 4.24Å; T577-K581 WeakPolarHBondContact O-CG 3.41Å; T577-K581 PolarHBondContact O-N 2.91Å
578	D	98.8	Very high	97.9	Very high	76 Å²	76	39.6 Å²	39.6	41%	0.406	20%	0.202	S	C	.	.	H	α-helix	trans	-63.7	-37.4	-178.2	-74.5	-13.3	0	0	0	111.8	G574 E575 M580 K581 V582	G574-D578 VanDerWaalsContact O-CB 3.32Å; G574-D578 WeakPolarHBondContact O-CB 3.29Å; G574-D578 VanDerWaalsContact O-CG 3.27Å; G574-D578 PolarHBondContact O-N 3.49Å; E575-D578 PolarHBondContact O-N 3.34Å; D578-M580 VanDerWaalsContact C-N 3.25Å; D578-M580 PolarHBondContact O-N 2.81Å; D578-K581 PolarHBondContact O-N 3.11Å; D578-K581 WeakPolarHBondContact OD1-CD 3.48Å; D578-K581 IonicContact OD1-NZ 3.96Å; D578-V582 WeakPolarHBondContact O-CG2 3.34Å; D578-V582 PolarHBondContact O-N 3.45Å
579	A	98.8	Very high	97.4	Very high	10 Å²	10	38.6 Å²	38.6	8%	0.083	21%	0.21	C	C	.	.	H	α-helix	trans	-57.4	-37.1	173.2	0	0	0	0	0	112.7	L545 I548 E575 T577	L545-A579 HydrophobicContact CB-CB 4.39Å; L545-A579 HydrophobicContact CD2-CB 4.29Å; I548-A579 HydrophobicContact CB-CB 4.25Å; I548-A579 HydrophobicContact CG2-CB 4Å; E575-A579 WeakPolarHBondContact O-CB 3.46Å; E575-A579 PolarHBondContact O-N 3.25Å; T577-A579 VanDerWaalsContact C-N 3.33Å; T577-A579 PolarHBondContact O-N 2.85Å
580	M	98.6	Very high	96.5	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.01	24%	0.236	C	C	.	.	H	α-helix	trans	-76.8	-37.9	172.2	-67.2	-178.3	-75.2	0	0	112.2	I204 F244 I548 L559 I576 T577 D578 V582 V583 F584	I204-M580 HydrophobicContact CB-CE 4.02Å; I204-M580 HydrophobicContact CB-SD 4.45Å; I204-M580 HydrophobicContact CG1-CE 4.45Å; I204-M580 HydrophobicContact CG1-SD 4.35Å; I204-M580 HydrophobicContact CG2-CE 4.03Å; I204-M580 HydrophobicContact CG2-SD 4.3Å; F244-M580 HydrophobicContact CE1-CB 3.83Å; F244-M580 HydrophobicContact CE2-CB 4.49Å; F244-M580 HydrophobicContact CE2-CE 4.21Å; F244-M580 HydrophobicContact CE2-SD 4.4Å; F244-M580 HydrophobicContact CZ-CB 3.63Å; F244-M580 HydrophobicContact CZ-CE 3.93Å; F244-M580 HydrophobicContact CZ-SD 4.28Å; I548-M580 HydrophobicContact CG2-CG 3.58Å; L559-M580 HydrophobicContact CD1-SD 4.45Å; L559-M580 HydrophobicContact CD2-CG 4.37Å; L559-M580 HydrophobicContact CD2-SD 4.29Å; I576-M580 HydrophobicContact CG2-CE 4.11Å; I576-M580 WeakPolarHBondContact O-CE 3.47Å; I576-M580 PolarHBondContact O-N 3.32Å; T577-M580 WeakPolarHBondContact O-CB 3.28Å; T577-M580 PolarHBondContact O-N 2.85Å; T577-M580 VanDerWaalsContact O-N 3.09Å; D578-M580 VanDerWaalsContact C-N 3.25Å; D578-M580 PolarHBondContact O-N 2.81Å; M580-V582 VanDerWaalsContact C-N 3.27Å; M580-V582 PolarHBondContact O-N 2.87Å; M580-V583 PolarHBondContact O-N 2.97Å; M580-V583 VanDerWaalsContact O-N 3.16Å; M580-F584 HydrophobicContact CB-CD2 3.87Å; M580-F584 HydrophobicContact CB-CE2 3.91Å; M580-F584 HydrophobicContact CG-CE2 4.21Å; M580-F584 WeakPolarHBondContact O-CG 3.48Å; M580-F584 PolarHBondContact O-N 3.27Å; M580-F584 HydrophobicContact SD-CE2 4.43Å
581	K	98.2	Very high	95.4	Very high	21 Å²	21	43.3 Å²	43.3	9%	0.091	25%	0.248	C	C	.	.	H	α-helix	trans	-61.3	-32.3	-179.9	-74	-178.6	-178.9	176.6	0	112.7	I243 F244 T577 D578 V583 F584 G585 E586	I243-K581 HydrophobicContact CG2-CD 4.35Å; I243-K581 HydrophobicContact CG2-CG 4.22Å; F244-K581 HydrophobicContact CD1-CG 4.23Å; F244-K581 HydrophobicContact CE1-CB 4.3Å; F244-K581 HydrophobicContact CE1-CG 3.53Å; F244-K581 HydrophobicContact CZ-CG 4.42Å; T577-K581 HydrophobicContact CG2-CD 4.24Å; T577-K581 HydrophobicContact CG2-CG 4.24Å; T577-K581 WeakPolarHBondContact O-CG 3.41Å; T577-K581 PolarHBondContact O-N 2.91Å; D578-K581 PolarHBondContact O-N 3.11Å; D578-K581 WeakPolarHBondContact OD1-CD 3.48Å; D578-K581 IonicContact OD1-NZ 3.96Å; K581-V583 PolarHBondContact O-N 3.39Å; K581-V583 VanDerWaalsContact O-N 3.17Å; K581-F584 PolarHBondContact O-N 3Å; K581-G585 WeakPolarHBondContact O-CA 3.26Å; K581-G585 PolarHBondContact O-N 3.49Å; K581-E586 HydrophobicContact CD-CG 4.12Å; K581-E586 VanDerWaalsContact CE-OE1 3.22Å; K581-E586 WeakPolarHBondContact CE-OE1 3.41Å; K581-E586 HydrophobicContact CG-CG 4.49Å; K581-E586 IonicContact NZ-OE1 2.75Å; K581-E586 PolarHBondContact NZ-OE1 3.26Å
582	V	97.8	Very high	94.6	Very high	96 Å²	96	49.5 Å²	49.5	58%	0.582	27%	0.271	S	S	*	.	H	α-helix	trans	-52.6	-36.5	175.8	169.1	0	0	0	0	111.8	E549 D578 M580	E549-V582 HydrophobicContact CG-CB 4.36Å; E549-V582 HydrophobicContact CG-CG1 4.15Å; D578-V582 WeakPolarHBondContact O-CG2 3.34Å; D578-V582 PolarHBondContact O-N 3.45Å; M580-V582 VanDerWaalsContact C-N 3.27Å; M580-V582 PolarHBondContact O-N 2.87Å
583	V	98.3	Very high	93.9	Very high	54 Å²	54	53.4 Å²	53.4	33%	0.327	29%	0.291	S	S	.	.	H	α-helix	trans	-96.4	-44.7	-179.5	-178.1	0	0	0	0	111.8	E549 A552 R553 M580 K581	E549-V583 HydrophobicContact CG-CG2 3.95Å; A552-V583 HydrophobicContact CB-CB 4.03Å; A552-V583 HydrophobicContact CB-CG1 4.4Å; A552-V583 HydrophobicContact CB-CG2 4.05Å; R553-V583 HydrophobicContact CB-CG1 4.36Å; R553-V583 HydrophobicContact CB-CG2 4.12Å; M580-V583 PolarHBondContact O-N 2.97Å; M580-V583 VanDerWaalsContact O-N 3.16Å; K581-V583 PolarHBondContact O-N 3.39Å; K581-V583 VanDerWaalsContact O-N 3.17Å
584	F	98.1	Very high	93.4	Very high	22 Å²	22	54 Å²	54	10%	0.096	29%	0.294	C	S	.	.	H	α-helix	trans	-84.9	-21.6	-170.8	-59.3	-24.6	0	0	0	114.3	F244 P245 P248 A552 R555 L559 M580 K581	F244-F584 HydrophobicContact CB-CB 4.28Å; F244-F584 HydrophobicContact CD1-CB 3.71Å; F244-F584 AromaticContact CD1-CD2 3.91Å; F244-F584 HydrophobicContact CD1-CD2 3.91Å; F244-F584 HydrophobicContact CD1-CG 4.34Å; F244-F584 HydrophobicContact CD2-CD2 4.43Å; F244-F584 HydrophobicContact CE1-CB 4.41Å; F244-F584 HydrophobicContact CE1-CD2 4.12Å; F244-F584 HydrophobicContact CG-CB 4.21Å; F244-F584 HydrophobicContact CG-CD2 4.07Å; P245-F584 WeakPolarHBondContact CD-O 3.36Å; P248-F584 HydrophobicContact CB-CB 3.9Å; P248-F584 HydrophobicContact CB-CD1 3.65Å; P248-F584 HydrophobicContact CB-CD2 3.76Å; P248-F584 HydrophobicContact CB-CE1 4.09Å; P248-F584 HydrophobicContact CB-CE2 4.19Å; P248-F584 HydrophobicContact CB-CG 3.48Å; P248-F584 VanDerWaalsContact CB-CG 3.48Å; P248-F584 HydrophobicContact CB-CZ 4.34Å; P248-F584 HydrophobicContact CG-CB 4Å; P248-F584 HydrophobicContact CG-CD1 4.47Å; P248-F584 HydrophobicContact CG-CG 4.15Å; A552-F584 HydrophobicContact CB-CD1 4.48Å; A552-F584 HydrophobicContact CB-CE1 3.64Å; A552-F584 HydrophobicContact CB-CE2 4Å; A552-F584 HydrophobicContact CB-CZ 3.35Å; A552-F584 WeakPolarHBondContact O-CE1 3.42Å; R555-F584 VanDerWaalsContact CZ-CE1 3.44Å; L559-F584 HydrophobicContact CD1-CE2 4.35Å; L559-F584 HydrophobicContact CD1-CZ 4.35Å; M580-F584 HydrophobicContact CB-CD2 3.87Å; M580-F584 HydrophobicContact CB-CE2 3.91Å; M580-F584 HydrophobicContact CG-CE2 4.21Å; M580-F584 WeakPolarHBondContact O-CG 3.48Å; M580-F584 PolarHBondContact O-N 3.27Å; M580-F584 HydrophobicContact SD-CE2 4.43Å; K581-F584 PolarHBondContact O-N 3Å
585	G	97.8	Very high	92.9	Very high	33 Å²	33	58.4 Å²	58.4	34%	0.34	32%	0.324	S	S	.	.			trans	65.3	-168.5	-169	0	0	0	0	0	113.3	F244 K581	F244-G585 WeakPolarHBondContact CD1-O 3.36Å; K581-G585 WeakPolarHBondContact O-CA 3.26Å; K581-G585 PolarHBondContact O-N 3.49Å
586	E	96.8	Very high	92.6	Very high	91 Å²	91	58 Å²	58	43%	0.425	33%	0.331	S	S	.	.			trans	-114.2	143.9	177.6	-66.7	-173.5	159.4	0	0	111.1	I243 K581	I243-E586 WeakPolarHBondContact O-CA 3.4Å; K581-E586 HydrophobicContact CD-CG 4.12Å; K581-E586 VanDerWaalsContact CE-OE1 3.22Å; K581-E586 WeakPolarHBondContact CE-OE1 3.41Å; K581-E586 HydrophobicContact CG-CG 4.49Å; K581-E586 IonicContact NZ-OE1 2.75Å; K581-E586 PolarHBondContact NZ-OE1 3.26Å
587	H	95.6	Very high	92.3	Very high	51 Å²	51	58.3 Å²	58.3	24%	0.236	33%	0.333	C	S	.	.			trans	-73.3	131.8	174.5	-174.2	61.1	0	0	0	111.4	F236 Y242 I243	F236-H587 AromaticContact CD1-CD2 3.62Å; F236-H587 AromaticContact CD1-NE2 3.83Å; F236-H587 HydrophobicContact CE1-CB 4.16Å; F236-H587 AromaticContact CE1-CD2 3.66Å; F236-H587 AromaticContact CE1-CG 3.78Å; Y242-H587 HydrophobicContact CD2-CB 3.86Å; Y242-H587 AromaticContact CD2-CD2 3.77Å; Y242-H587 HydrophobicContact CE2-CB 4.15Å; Y242-H587 AromaticContact CE2-CD2 3.54Å; Y242-H587 AromaticContact CZ-CD2 3.82Å; I243-H587 PolarHBondContact O-N 2.79Å
588	K	90.1	Very high	92.2	Very high	186 Å²	186	58.4 Å²	58.4	81%	0.809	33%	0.333	S	S	*	.			trans	-112.8	112.7	169.6	-64	-175.1	-179.9	-176.2	0	108.7
589	A	86.7	Confident	92	Very high	55 Å²	55	60.2 Å²	60.2	46%	0.455	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-70.4	141.1	179	0	0	0	0	0	111	Y242	Y242-A589 WeakPolarHBondContact OH-CB 3.11Å
590	S	79.7	Confident	91.8	Very high	94 Å²	94	63.9 Å²	63.9	66%	0.657	36%	0.359	S	S	*	.	P	Polyproline II helix	trans	-90.5	126.2	169.3	64.8	0	0	0	0	109.9	R592	S590-R592 PolarHBondContact O-N 3.42Å
591	T	76.9	Confident	91.7	Very high	77 Å²	77	66.7 Å²	66.7	47%	0.472	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-84.1	117.3	-179.8	-66.7	0	0	0	0	110.6	I658	T591-I658 HydrophobicContact CG2-CB 4.27Å; T591-I658 HydrophobicContact CG2-CD1 4.25Å; T591-I658 HydrophobicContact CG2-CG2 4.21Å
592	R	82.5	Confident	91.6	Very high	130 Å²	130	66.3 Å²	66.3	49%	0.491	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-103.5	159.1	159.9	-63.2	-174.3	-175.5	168.6	8.7	109	E472 S590 K643	E472-R592 PolarHBondContact O-NH1 2.85Å; E472-R592 PolarHBondContact O-NH2 3.31Å; E472-R592 VanDerWaalsContact O-NH2 3.13Å; S590-R592 PolarHBondContact O-N 3.42Å; R592-K643 PolarHBondContact O-NZ 2.97Å
593	M	83.3	Confident	91.3	Very high	82 Å²	82	63.5 Å²	63.5	40%	0.404	36%	0.361	S	S	.	.			trans	-130.2	133.9	-178.2	-169.7	178.6	71.2	0	0	109.4	A650 I658	M593-A650 HydrophobicContact CE-CB 4.28Å; M593-I658 HydrophobicContact CB-CD1 4.3Å; M593-I658 HydrophobicContact CG-CD1 3.96Å; M593-I658 HydrophobicContact SD-CD1 3.85Å
594	V	88.3	Confident	90.7	Very high	13 Å²	13	70.7 Å²	70.7	8%	0.079	39%	0.391	C	S	.	.			trans	-69.6	144.5	168	179	0	0	0	0	108.9	L477 E480 E481 A597 T647	L477-V594 HydrophobicContact CD1-CG2 3.62Å; E480-V594 HydrophobicContact CB-CG2 3.6Å; E481-V594 HydrophobicContact CB-CG1 4.44Å; E481-V594 HydrophobicContact CB-CG2 4.48Å; E481-V594 HydrophobicContact CG-CG1 4.35Å; V594-A597 HydrophobicContact CG1-CB 3.55Å; V594-T647 WeakPolarHBondContact O-CB 3.28Å; V594-T647 PolarHBondContact O-OG1 3.35Å
595	S	88.7	Confident	90.3	Very high	96 Å²	96	73.5 Å²	73.5	67%	0.671	41%	0.405	S	S	*	.			trans	-138.4	138.8	174.2	179.3	0	0	0	0	110.3	A597	S595-A597 VanDerWaalsContact C-N 3.26Å; S595-A597 PolarHBondContact O-N 3.26Å
596	G	91.6	Very high	90	Very high	30 Å²	30	79.6 Å²	79.6	31%	0.309	42%	0.424	S	S	.	.	S	Bend	trans	81.2	-14.4	175	0	0	0	0	0	115.8	S600 D651	G596-S600 WeakPolarHBondContact O-CB 3.4Å; G596-S600 PolarHBondContact O-N 3.03Å; G596-D651 VanDerWaalsContact CA-OD1 3.32Å; G596-D651 WeakPolarHBondContact CA-OD1 3.27Å; G596-D651 WeakPolarHBondContact CA-OD2 3.24Å; G596-D651 PolarHBondContact N-OD1 3.07Å; G596-D651 PolarHBondContact N-OD2 3.32Å
597	A	93.8	Very high	89.7	Confident	6 Å²	6	77.3 Å²	77.3	5%	0.05	41%	0.414	C	S	.	.	H	α-helix	trans	-66.8	-40.4	-175.5	0	0	0	0	0	112.7	E481 A484 R485 V594 S595 E601	E481-A597 HydrophobicContact CG-CB 3.71Å; A484-A597 HydrophobicContact CB-CB 4.14Å; R485-A597 HydrophobicContact CG-CB 4.47Å; V594-A597 HydrophobicContact CG1-CB 3.55Å; S595-A597 VanDerWaalsContact C-N 3.26Å; S595-A597 PolarHBondContact O-N 3.26Å; A597-E601 WeakPolarHBondContact O-CB 3.29Å; A597-E601 PolarHBondContact O-N 3.11Å
598	Y	96.3	Very high	89.6	Confident	1 Å²	1	75.3 Å²	75.3	0%	0.004	40%	0.404	C	S	.	.	H	α-helix	trans	-65.7	-54.4	179.4	178.5	-91.8	0	0	0	110.4	Q487 A488 D491 S600 E601 F602 I608 I739 P740	Q487-Y598 HydrophobicContact CB-CD2 4.32Å; Q487-Y598 HydrophobicContact CB-CE2 4.16Å; Q487-Y598 HydrophobicContact CG-CE2 4.02Å; A488-Y598 HydrophobicContact CB-CD2 3.77Å; A488-Y598 HydrophobicContact CB-CE2 3.91Å; A488-Y598 HydrophobicContact CB-CG 4.27Å; A488-Y598 VanDerWaalsContact CB-O 3.28Å; A488-Y598 WeakPolarHBondContact CB-O 3.34Å; D491-Y598 WeakPolarHBondContact CB-OH 3.21Å; D491-Y598 PolarHBondContact OD2-OH 3Å; Y598-S600 PolarHBondContact O-N 3.11Å; Y598-E601 PolarHBondContact O-N 3.04Å; Y598-F602 AromaticContact CE1-CD2 3.89Å; Y598-F602 HydrophobicContact CE1-CD2 3.89Å; Y598-F602 HydrophobicContact CE1-CE2 4.49Å; Y598-F602 AromaticContact CZ-CD2 3.73Å; Y598-F602 WeakPolarHBondContact O-CB 3.49Å; Y598-F602 PolarHBondContact O-N 3.28Å; Y598-F602 WeakPolarHBondContact OH-CD2 3.48Å; Y598-F602 WeakPolarHBondContact OH-CE2 3.33Å; Y598-I608 HydrophobicContact CE1-CD1 4.12Å; Y598-I739 HydrophobicContact CD2-CD1 3.89Å; Y598-I739 HydrophobicContact CE1-CB 4.38Å; Y598-I739 HydrophobicContact CE1-CD1 4.45Å; Y598-I739 HydrophobicContact CE2-CB 4.42Å; Y598-I739 HydrophobicContact CE2-CD1 3.48Å; Y598-I739 VanDerWaalsContact CE2-CD1 3.48Å; Y598-I739 HydrophobicContact CE2-CG1 4.14Å; Y598-P740 WeakPolarHBondContact OH-CD 3.06Å
599	R	94.3	Very high	89.8	Confident	115 Å²	115	69.6 Å²	69.6	43%	0.434	39%	0.388	S	S	.	.	H	α-helix	trans	-63.7	-39.3	-178.8	-178.7	174.4	179.2	172.6	-0.1	113	E601 F602 G603 D651	R599-E601 VanDerWaalsContact C-N 3.33Å; R599-E601 PolarHBondContact O-N 3.08Å; R599-F602 PolarHBondContact O-N 3.43Å; R599-G603 PolarHBondContact O-N 2.79Å; R599-D651 HydrophobicContact CB-CB 3.97Å; R599-D651 PolarHBondContact N-OD2 3.04Å; R599-D651 PolarHBondContact NH1-O 3.12Å
600	S	94.7	Very high	90.2	Very high	86 Å²	86	70.4 Å²	70.4	60%	0.601	39%	0.387	S	S	*	.	H	α-helix	trans	-64.1	-38.2	178.7	-178.8	0	0	0	0	112.4	G596 Y598	G596-S600 WeakPolarHBondContact O-CB 3.4Å; G596-S600 PolarHBondContact O-N 3.03Å; Y598-S600 PolarHBondContact O-N 3.11Å
601	E	96.6	Very high	90.9	Very high	62 Å²	62	66 Å²	66	29%	0.29	36%	0.356	S	S	.	.	H	α-helix	trans	-79.1	-33.3	179.6	-171.9	81.1	-171.2	0	0	111.8	R485 A488 R489 A597 Y598 R599 G603	R485-E601 HydrophobicContact CB-CB 4.17Å; R485-E601 HydrophobicContact CB-CG 3.83Å; R485-E601 HydrophobicContact CG-CB 4.08Å; R485-E601 HydrophobicContact CG-CG 4.19Å; R485-E601 IonicContact CZ-OE2 2.71Å; R485-E601 IonicContact NH1-OE2 3.94Å; R485-E601 PolarHBondContact NH1-OE2 3.09Å; R485-E601 WeakPolarHBondContact O-CG 3.47Å; A488-E601 HydrophobicContact CB-CB 3.82Å; A488-E601 HydrophobicContact CB-CG 4.06Å; R489-E601 WeakPolarHBondContact CD-OE1 3.3Å; R489-E601 HydrophobicContact CG-CG 3.95Å; R489-E601 IonicContact CZ-OE1 3.58Å; R489-E601 IonicContact NH1-OE1 3.61Å; R489-E601 PolarHBondContact NH1-OE1 3.07Å; A597-E601 WeakPolarHBondContact O-CB 3.29Å; A597-E601 PolarHBondContact O-N 3.11Å; Y598-E601 PolarHBondContact O-N 3.04Å; R599-E601 VanDerWaalsContact C-N 3.33Å; R599-E601 PolarHBondContact O-N 3.08Å; E601-G603 PolarHBondContact O-N 3.19Å
602	F	95.5	Very high	91.7	Very high	13 Å²	13	65 Å²	65	6%	0.057	35%	0.346	C	S	.	.	H	α-helix	trans	-61.9	-36.6	176	-155.7	-71.4	0	0	0	111.5	A488 D491 Y598 R599 H605 I608 P740	A488-F602 HydrophobicContact CB-CB 4.07Å; A488-F602 HydrophobicContact CB-CD2 4.26Å; D491-F602 HydrophobicContact CB-CD2 4.36Å; D491-F602 HydrophobicContact CB-CE2 3.63Å; Y598-F602 AromaticContact CE1-CD2 3.89Å; Y598-F602 HydrophobicContact CE1-CD2 3.89Å; Y598-F602 HydrophobicContact CE1-CE2 4.49Å; Y598-F602 AromaticContact CZ-CD2 3.73Å; Y598-F602 WeakPolarHBondContact O-CB 3.49Å; Y598-F602 PolarHBondContact O-N 3.28Å; Y598-F602 WeakPolarHBondContact OH-CD2 3.48Å; Y598-F602 WeakPolarHBondContact OH-CE2 3.33Å; R599-F602 PolarHBondContact O-N 3.43Å; F602-H605 HydrophobicContact CD1-CB 3.79Å; F602-H605 HydrophobicContact CE1-CB 3.49Å; F602-H605 VanDerWaalsContact CE1-CB 3.49Å; F602-H605 AromaticContact CE1-CG 3.59Å; F602-H605 AromaticContact CE1-ND1 3.91Å; F602-I608 HydrophobicContact CD1-CD1 4.09Å; F602-I608 HydrophobicContact CD1-CG1 3.51Å; F602-I608 HydrophobicContact CD2-CD1 4.02Å; F602-I608 HydrophobicContact CD2-CG1 4.36Å; F602-I608 HydrophobicContact CE1-CD1 4.25Å; F602-I608 HydrophobicContact CE1-CG1 3.67Å; F602-I608 HydrophobicContact CE2-CD1 4.14Å; F602-I608 HydrophobicContact CE2-CG1 4.45Å; F602-I608 HydrophobicContact CG-CD1 3.98Å; F602-I608 HydrophobicContact CG-CG1 3.9Å; F602-I608 HydrophobicContact CZ-CD1 4.27Å; F602-I608 HydrophobicContact CZ-CG1 4.14Å; F602-P740 HydrophobicContact CE2-CG 4.13Å; F602-P740 HydrophobicContact CZ-CG 4.36Å
603	G	91.4	Very high	92.4	Very high	37 Å²	37	63.1 Å²	63.1	38%	0.381	35%	0.346	S	S	.	.			trans	78.4	-168.1	-178.6	0	0	0	0	0	113.4	R599 E601 H605	R599-G603 PolarHBondContact O-N 2.79Å; E601-G603 PolarHBondContact O-N 3.19Å; G603-H605 PolarHBondContact O-N 2.87Å
604	E	86.4	Confident	93.1	Very high	205 Å²	205	61.6 Å²	61.6	96%	0.958	34%	0.336	S	S	*	.	S	Bend	trans	-74.6	116.5	177	-66.3	-173.2	172.2	0	0	110.4
605	H	89.4	Confident	93.5	Very high	81 Å²	81	61.1 Å²	61.1	38%	0.375	33%	0.333	S	S	.	.			trans	-149.3	138.5	-179.4	-162.8	-88.4	0	0	0	111.1	F602 G603 E607 I608 S609	F602-H605 HydrophobicContact CD1-CB 3.79Å; F602-H605 HydrophobicContact CE1-CB 3.49Å; F602-H605 VanDerWaalsContact CE1-CB 3.49Å; F602-H605 AromaticContact CE1-CG 3.59Å; F602-H605 AromaticContact CE1-ND1 3.91Å; G603-H605 PolarHBondContact O-N 2.87Å; H605-E607 VanDerWaalsContact C-N 3.25Å; H605-E607 IonicContact CE1-OE2 3.24Å; H605-E607 WeakPolarHBondContact ND1-CB 3.32Å; H605-E607 PolarHBondContact ND1-N 3.19Å; H605-E607 PolarHBondContact O-N 3.2Å; H605-I608 HydrophobicContact CB-CG1 4.44Å; H605-I608 PolarHBondContact O-N 3.4Å; H605-I608 VanDerWaalsContact O-N 3.13Å; H605-S609 PolarHBondContact O-N 3.34Å
606	E	90.7	Very high	93.9	Very high	160 Å²	160	60.2 Å²	60.2	75%	0.748	32%	0.323	S	S	*	.	H	α-helix	trans	-56.8	-39.1	-176.6	-175.3	178.5	-178.4	0	0	112.4	I608 S609 T610	E606-I608 PolarHBondContact O-N 3.09Å; E606-S609 WeakPolarHBondContact O-CB 3.47Å; E606-S609 PolarHBondContact O-N 2.76Å; E606-T610 WeakPolarHBondContact O-CB 3.36Å; E606-T610 PolarHBondContact O-N 3.31Å; E606-T610 PolarHBondContact O-OG1 3.49Å
607	E	92.1	Very high	94.2	Very high	44 Å²	44	63.5 Å²	63.5	21%	0.206	33%	0.33	C	S	.	.	H	α-helix	trans	-62.4	-39.2	179.1	-166.9	-177.9	-173.1	0	0	113.6	H605 T610 A611 R738 P740	H605-E607 VanDerWaalsContact C-N 3.25Å; H605-E607 IonicContact CE1-OE2 3.24Å; H605-E607 WeakPolarHBondContact ND1-CB 3.32Å; H605-E607 PolarHBondContact ND1-N 3.19Å; H605-E607 PolarHBondContact O-N 3.2Å; E607-T610 PolarHBondContact O-N 3.25Å; E607-A611 WeakPolarHBondContact O-CB 3.09Å; E607-A611 PolarHBondContact O-N 3.04Å; E607-R738 VanDerWaalsContact CD-NH1 3.26Å; E607-R738 IonicContact OE1-CZ 2.73Å; E607-R738 IonicContact OE1-NH1 3.31Å; E607-R738 PolarHBondContact OE1-NH1 2.77Å; E607-R738 IonicContact OE1-NH2 3.24Å; E607-R738 IonicContact OE2-CZ 3.66Å; E607-R738 IonicContact OE2-NH1 3.75Å; E607-R738 PolarHBondContact OE2-NH1 2.67Å; E607-R738 IonicContact OE2-NH2 3.97Å; E607-R738 PolarHBondContact OE2-NH2 3.19Å; E607-P740 HydrophobicContact CG-CB 3.74Å
608	I	93.3	Very high	94.4	Very high	8 Å²	8	63.2 Å²	63.2	4%	0.041	33%	0.328	C	S	.	.	H	α-helix	trans	-66.8	-43.6	176.1	-66.8	-69.6	0	0	0	109.8	Y598 F602 H605 E606 T610 A611 H612 L652 P740	Y598-I608 HydrophobicContact CE1-CD1 4.12Å; F602-I608 HydrophobicContact CD1-CD1 4.09Å; F602-I608 HydrophobicContact CD1-CG1 3.51Å; F602-I608 HydrophobicContact CD2-CD1 4.02Å; F602-I608 HydrophobicContact CD2-CG1 4.36Å; F602-I608 HydrophobicContact CE1-CD1 4.25Å; F602-I608 HydrophobicContact CE1-CG1 3.67Å; F602-I608 HydrophobicContact CE2-CD1 4.14Å; F602-I608 HydrophobicContact CE2-CG1 4.45Å; F602-I608 HydrophobicContact CG-CD1 3.98Å; F602-I608 HydrophobicContact CG-CG1 3.9Å; F602-I608 HydrophobicContact CZ-CD1 4.27Å; F602-I608 HydrophobicContact CZ-CG1 4.14Å; H605-I608 HydrophobicContact CB-CG1 4.44Å; H605-I608 PolarHBondContact O-N 3.4Å; H605-I608 VanDerWaalsContact O-N 3.13Å; E606-I608 PolarHBondContact O-N 3.09Å; I608-T610 VanDerWaalsContact C-N 3.34Å; I608-T610 PolarHBondContact O-N 3.07Å; I608-A611 PolarHBondContact O-N 3.34Å; I608-H612 WeakPolarHBondContact O-CB 3.49Å; I608-H612 PolarHBondContact O-N 3.06Å; I608-L652 HydrophobicContact CD1-CD2 4.05Å; I608-L652 HydrophobicContact CG2-CD2 4.06Å; I608-P740 HydrophobicContact CD1-CB 4.33Å; I608-P740 HydrophobicContact CD1-CG 3.59Å
609	S	93.4	Very high	94.4	Very high	66 Å²	66	67.9 Å²	67.9	46%	0.462	35%	0.348	S	S	.	.	H	α-helix	trans	-60.8	-43.4	176	-61.8	0	0	0	0	111.7	H605 E606 H612 N613	H605-S609 PolarHBondContact O-N 3.34Å; E606-S609 WeakPolarHBondContact O-CB 3.47Å; E606-S609 PolarHBondContact O-N 2.76Å; S609-H612 PolarHBondContact O-N 3.12Å; S609-N613 WeakPolarHBondContact O-CB 3.31Å; S609-N613 PolarHBondContact O-N 3.38Å; S609-N613 PolarHBondContact O-ND2 3.25Å
610	T	94.6	Very high	94.6	Very high	72 Å²	72	70.8 Å²	70.8	44%	0.442	36%	0.364	S	S	.	.	H	α-helix	trans	-62.6	-49	177.1	-64.9	0	0	0	0	111.8	E606 E607 I608 H612 N613 R614	E606-T610 WeakPolarHBondContact O-CB 3.36Å; E606-T610 PolarHBondContact O-N 3.31Å; E606-T610 PolarHBondContact O-OG1 3.49Å; E607-T610 PolarHBondContact O-N 3.25Å; I608-T610 VanDerWaalsContact C-N 3.34Å; I608-T610 PolarHBondContact O-N 3.07Å; T610-H612 VanDerWaalsContact C-N 3.35Å; T610-H612 PolarHBondContact O-N 3.29Å; T610-N613 PolarHBondContact O-N 3.25Å; T610-R614 PolarHBondContact O-N 2.74Å
611	A	95.2	Very high	94.6	Very high	1 Å²	1	72.9 Å²	72.9	1%	0.008	36%	0.364	C	S	.	.	H	α-helix	trans	-60.5	-43.8	177.6	0	0	0	0	0	112	E607 I608 N613 R614 V615 L652 P740 V744	E607-A611 WeakPolarHBondContact O-CB 3.09Å; E607-A611 PolarHBondContact O-N 3.04Å; I608-A611 PolarHBondContact O-N 3.34Å; A611-N613 PolarHBondContact O-N 3.4Å; A611-R614 PolarHBondContact O-N 2.55Å; A611-V615 PolarHBondContact O-N 3.09Å; A611-L652 HydrophobicContact CB-CD1 4.24Å; A611-L652 HydrophobicContact CB-CD2 4.07Å; A611-P740 HydrophobicContact CB-CB 4.27Å; A611-V744 HydrophobicContact CB-CG2 3.98Å
612	H	94.9	Very high	94.6	Very high	57 Å²	57	72.1 Å²	72.1	26%	0.264	36%	0.361	S	S	.	.	H	α-helix	trans	-62.8	-42.4	176.1	-176.2	61.7	0	0	0	112.5	I608 S609 T610 R614 V615 V616 L652	I608-H612 WeakPolarHBondContact O-CB 3.49Å; I608-H612 PolarHBondContact O-N 3.06Å; S609-H612 PolarHBondContact O-N 3.12Å; T610-H612 VanDerWaalsContact C-N 3.35Å; T610-H612 PolarHBondContact O-N 3.29Å; H612-R614 VanDerWaalsContact C-N 3.32Å; H612-R614 PolarHBondContact O-N 3.06Å; H612-V615 WeakPolarHBondContact O-CB 3.37Å; H612-V615 PolarHBondContact O-N 3.15Å; H612-V615 VanDerWaalsContact O-N 3.17Å; H612-V616 WeakPolarHBondContact O-CG2 3.42Å; H612-V616 PolarHBondContact O-N 3.34Å; H612-V616 VanDerWaalsContact O-N 3.08Å; H612-L652 PolarHBondContact ND1-O 3.49Å
613	N	96.1	Very high	94.6	Very high	90 Å²	90	74.7 Å²	74.7	48%	0.481	39%	0.391	S	S	.	.	H	α-helix	trans	-62.9	-38.7	178.2	-71.9	-19.4	0	0	0	111.9	S609 T610 A611 V615 V616 E617	S609-N613 WeakPolarHBondContact O-CB 3.31Å; S609-N613 PolarHBondContact O-N 3.38Å; S609-N613 PolarHBondContact O-ND2 3.25Å; T610-N613 PolarHBondContact O-N 3.25Å; A611-N613 PolarHBondContact O-N 3.4Å; N613-V615 VanDerWaalsContact C-N 3.3Å; N613-V615 PolarHBondContact O-N 2.97Å; N613-V616 WeakPolarHBondContact O-CB 3.29Å; N613-V616 PolarHBondContact O-N 3.34Å; N613-V616 VanDerWaalsContact O-N 3.13Å; N613-E617 WeakPolarHBondContact O-CG 3.46Å; N613-E617 PolarHBondContact O-N 2.98Å
614	R	97.5	Very high	94.9	Very high	51 Å²	51	76.7 Å²	76.7	19%	0.192	39%	0.387	C	S	.	.	H	α-helix	trans	-59.3	-40	173.6	-72.3	-61.7	-54.9	-80.2	0.1	112.4	T610 A611 H612 E617 F618 V744 I747 D748 E751	T610-R614 PolarHBondContact O-N 2.74Å; A611-R614 PolarHBondContact O-N 2.55Å; H612-R614 VanDerWaalsContact C-N 3.32Å; H612-R614 PolarHBondContact O-N 3.06Å; R614-E617 PolarHBondContact O-N 2.74Å; R614-F618 WeakPolarHBondContact O-CB 3.27Å; R614-F618 PolarHBondContact O-N 3.49Å; R614-V744 HydrophobicContact CG-CG2 4.42Å; R614-I747 HydrophobicContact CB-CD1 3.96Å; R614-D748 IonicContact CZ-OD1 3.74Å; R614-D748 IonicContact NH1-OD1 3.46Å; R614-D748 PolarHBondContact NH1-OD1 3.07Å; R614-D748 IonicContact NH2-OD1 3.52Å; R614-D748 PolarHBondContact NH2-OD1 3.01Å; R614-E751 IonicContact NH2-OE2 3.11Å; R614-E751 PolarHBondContact NH2-OE2 3.3Å
615	V	96.8	Very high	95.5	Very high	3 Å²	3	68.3 Å²	68.3	2%	0.018	35%	0.348	C	S	.	.	H	α-helix	trans	-63.7	-41.3	174.5	174.3	0	0	0	0	111.6	A611 H612 N613 F618 K619 P626 G653 F654 I747	A611-V615 PolarHBondContact O-N 3.09Å; H612-V615 WeakPolarHBondContact O-CB 3.37Å; H612-V615 PolarHBondContact O-N 3.15Å; H612-V615 VanDerWaalsContact O-N 3.17Å; N613-V615 VanDerWaalsContact C-N 3.3Å; N613-V615 PolarHBondContact O-N 2.97Å; V615-F618 PolarHBondContact O-N 2.73Å; V615-K619 WeakPolarHBondContact O-CB 3.29Å; V615-K619 PolarHBondContact O-N 3.46Å; V615-P626 HydrophobicContact CG1-CG 4Å; V615-P626 HydrophobicContact CG2-CG 4.28Å; V615-G653 WeakPolarHBondContact CG1-O 3.41Å; V615-F654 HydrophobicContact CG2-CD2 3.82Å; V615-F654 HydrophobicContact CG2-CE2 3.55Å; V615-F654 HydrophobicContact CG2-CZ 4.45Å; V615-I747 HydrophobicContact CG2-CD1 3.64Å
616	V	97.4	Very high	95.9	Very high	76 Å²	76	64.4 Å²	64.4	46%	0.461	33%	0.331	S	S	.	.	H	α-helix	trans	-64.9	-41.9	177.7	172.9	0	0	0	0	111.3	H612 N613 K619 K620	H612-V616 WeakPolarHBondContact O-CG2 3.42Å; H612-V616 PolarHBondContact O-N 3.34Å; H612-V616 VanDerWaalsContact O-N 3.08Å; N613-V616 WeakPolarHBondContact O-CB 3.29Å; N613-V616 PolarHBondContact O-N 3.34Å; N613-V616 VanDerWaalsContact O-N 3.13Å; V616-K619 PolarHBondContact O-N 3.22Å; V616-K620 PolarHBondContact O-N 3.4Å
617	E	97.7	Very high	96.3	Very high	99 Å²	99	60.1 Å²	60.1	46%	0.463	31%	0.307	S	S	.	.	H	α-helix	trans	-63.9	-46.8	175.5	-72.6	176.3	167.1	0	0	111.7	N613 R614 K619 K620 H621	N613-E617 WeakPolarHBondContact O-CG 3.46Å; N613-E617 PolarHBondContact O-N 2.98Å; R614-E617 PolarHBondContact O-N 2.74Å; E617-K619 VanDerWaalsContact C-N 3.31Å; E617-K619 PolarHBondContact O-N 2.94Å; E617-K620 WeakPolarHBondContact O-CB 3.46Å; E617-K620 PolarHBondContact O-N 3.27Å; E617-K620 VanDerWaalsContact O-N 3.08Å; E617-H621 PolarHBondContact O-N 3.32Å; E617-H621 PolarHBondContact O-ND1 2.93Å
618	F	97.9	Very high	96.6	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-53.6	-49.8	173.9	-178.8	-84.1	0	0	0	111	R614 V615 K620 H621 E622 P626 H678 I747 I750 E751 L754	R614-F618 WeakPolarHBondContact O-CB 3.27Å; R614-F618 PolarHBondContact O-N 3.49Å; V615-F618 PolarHBondContact O-N 2.73Å; F618-K620 VanDerWaalsContact C-N 3.26Å; F618-K620 PolarHBondContact O-N 3.41Å; F618-H621 PolarHBondContact O-N 2.99Å; F618-H621 VanDerWaalsContact O-N 3.11Å; F618-E622 HydrophobicContact CD1-CB 4.25Å; F618-E622 HydrophobicContact CD1-CG 4.12Å; F618-E622 HydrophobicContact CD2-CG 4.13Å; F618-E622 HydrophobicContact CE1-CB 3.86Å; F618-E622 HydrophobicContact CE1-CG 3.76Å; F618-E622 HydrophobicContact CE2-CG 3.78Å; F618-E622 HydrophobicContact CG-CG 4.3Å; F618-E622 HydrophobicContact CZ-CB 4.15Å; F618-E622 HydrophobicContact CZ-CG 3.59Å; F618-E622 WeakPolarHBondContact O-CB 3.47Å; F618-E622 PolarHBondContact O-N 2.81Å; F618-P626 HydrophobicContact CD1-CB 3.91Å; F618-P626 HydrophobicContact CD1-CG 4.13Å; F618-P626 HydrophobicContact CE1-CB 3.82Å; F618-P626 HydrophobicContact CE1-CG 4.49Å; F618-P626 HydrophobicContact CG-CB 4.38Å; F618-P626 HydrophobicContact CZ-CB 4.2Å; F618-H678 AromaticContact CZ-NE2 3.9Å; F618-I747 HydrophobicContact CB-CG2 4.4Å; F618-I747 HydrophobicContact CD2-CG2 4.05Å; F618-I750 HydrophobicContact CE2-CB 4.35Å; F618-I750 HydrophobicContact CE2-CG2 3.67Å; F618-I750 HydrophobicContact CZ-CG2 3.84Å; F618-E751 HydrophobicContact CD2-CG 3.78Å; F618-E751 HydrophobicContact CE2-CG 4.06Å; F618-L754 HydrophobicContact CE2-CD1 4.29Å; F618-L754 HydrophobicContact CZ-CD1 4.31Å
619	K	97.6	Very high	96.8	Very high	100 Å²	100	57.8 Å²	57.8	44%	0.435	30%	0.296	S	S	.	.	H	α-helix	trans	-59.2	-38	178.6	-174	-170.9	-166.3	134	0	112.6	V615 V616 E617 H621 G623 R624 N625	V615-K619 WeakPolarHBondContact O-CB 3.29Å; V615-K619 PolarHBondContact O-N 3.46Å; V616-K619 PolarHBondContact O-N 3.22Å; E617-K619 VanDerWaalsContact C-N 3.31Å; E617-K619 PolarHBondContact O-N 2.94Å; K619-H621 VanDerWaalsContact C-N 3.34Å; K619-G623 VanDerWaalsContact O-CA 3.25Å; K619-G623 WeakPolarHBondContact O-CA 3.28Å; K619-G623 PolarHBondContact O-N 3.22Å; K619-R624 WeakPolarHBondContact CA-O 3.4Å; K619-N625 WeakPolarHBondContact CD-OD1 3.3Å; K619-N625 WeakPolarHBondContact CE-OD1 3.37Å; K619-N625 PolarHBondContact NZ-OD1 2.89Å
620	K	97	Very high	97.1	Very high	176 Å²	176	55 Å²	55	77%	0.765	28%	0.276	S	S	*	.	H	α-helix	trans	-66.5	-36.9	178.4	-173.7	-176.3	175.5	-171.3	0	111.7	V616 E617 F618	V616-K620 PolarHBondContact O-N 3.4Å; E617-K620 WeakPolarHBondContact O-CB 3.46Å; E617-K620 PolarHBondContact O-N 3.27Å; E617-K620 VanDerWaalsContact O-N 3.08Å; F618-K620 VanDerWaalsContact C-N 3.26Å; F618-K620 PolarHBondContact O-N 3.41Å
621	H	94.9	Very high	97.2	Very high	129 Å²	129	51.5 Å²	51.5	60%	0.597	26%	0.255	S	S	*	.	H	α-helix	trans	-81.3	-42.4	179.7	-63.5	149.1	0	0	0	113	E617 F618 K619	E617-H621 PolarHBondContact O-N 3.32Å; E617-H621 PolarHBondContact O-ND1 2.93Å; F618-H621 PolarHBondContact O-N 2.99Å; F618-H621 VanDerWaalsContact O-N 3.11Å; K619-H621 VanDerWaalsContact C-N 3.34Å
622	E	95.8	Very high	97.4	Very high	47 Å²	47	51.8 Å²	51.8	22%	0.22	26%	0.256	C	S	.	.	H	α-helix	trans	-94.8	-10.5	-174.1	-58.5	-53.3	136.9	0	0	114.1	F618 R624 L754 R758	F618-E622 HydrophobicContact CD1-CB 4.25Å; F618-E622 HydrophobicContact CD1-CG 4.12Å; F618-E622 HydrophobicContact CD2-CG 4.13Å; F618-E622 HydrophobicContact CE1-CB 3.86Å; F618-E622 HydrophobicContact CE1-CG 3.76Å; F618-E622 HydrophobicContact CE2-CG 3.78Å; F618-E622 HydrophobicContact CG-CG 4.3Å; F618-E622 HydrophobicContact CZ-CB 4.15Å; F618-E622 HydrophobicContact CZ-CG 3.59Å; F618-E622 WeakPolarHBondContact O-CB 3.47Å; F618-E622 PolarHBondContact O-N 2.81Å; E622-R624 PolarHBondContact O-N 2.91Å; E622-L754 HydrophobicContact CG-CD1 4.15Å; E622-R758 IonicContact OE1-CZ 3.34Å; E622-R758 IonicContact OE1-NH1 3.18Å; E622-R758 PolarHBondContact OE1-NH1 3.43Å; E622-R758 IonicContact OE1-NH2 2.67Å; E622-R758 PolarHBondContact OE1-NH2 3.25Å; E622-R758 IonicContact OE2-CZ 3.84Å; E622-R758 IonicContact OE2-NH2 2.77Å; E622-R758 PolarHBondContact OE2-NH2 3.49Å
623	G	96.9	Very high	97.5	Very high	67 Å²	67	49.5 Å²	49.5	69%	0.691	25%	0.246	S	C	*	.	S	Bend	trans	76.6	0.8	-179.8	0	0	0	0	0	115.1	K619	K619-G623 VanDerWaalsContact O-CA 3.25Å; K619-G623 WeakPolarHBondContact O-CA 3.28Å; K619-G623 PolarHBondContact O-N 3.22Å
624	R	97.8	Very high	97.5	Very high	78 Å²	78	45.4 Å²	45.4	29%	0.294	23%	0.225	S	C	.	.	S	Bend	trans	-149.4	161.1	177.6	67.9	-176.6	-152.8	159.6	9.1	111.6	K619 E622 D676 H678	K619-R624 WeakPolarHBondContact CA-O 3.4Å; E622-R624 PolarHBondContact O-N 2.91Å; R624-D676 IonicContact CZ-OD2 3.62Å; R624-D676 PolarHBondContact NH1-O 2.87Å; R624-D676 IonicContact NH1-OD2 3.21Å; R624-D676 PolarHBondContact NH1-OD2 3.39Å; R624-D676 PolarHBondContact NH2-O 3.39Å; R624-D676 IonicContact NH2-OD2 2.77Å; R624-H678 VanDerWaalsContact CZ-CE1 3.41Å; R624-H678 PolarHBondContact NE-CE1 2.94Å; R624-H678 PolarHBondContact NE-NE2 2.88Å; R624-H678 PolarHBondContact NH2-CE1 3.2Å; R624-H678 PolarHBondContact NH2-ND1 2.8Å; R624-H678 PolarHBondContact NH2-NE2 3.1Å
625	N	98.2	Very high	97.5	Very high	29 Å²	29	43.1 Å²	43.1	16%	0.155	22%	0.217	C	C	.	.			trans	-65.2	152.6	176.2	-66.6	-17	0	0	0	110.4	K619 R627 D655 H678	K619-N625 WeakPolarHBondContact CD-OD1 3.3Å; K619-N625 WeakPolarHBondContact CE-OD1 3.37Å; K619-N625 PolarHBondContact NZ-OD1 2.89Å; N625-R627 PolarHBondContact O-N 3.41Å; N625-D655 HydrophobicContact CB-CB 4.33Å; N625-D655 PolarHBondContact ND2-OD1 2.99Å; N625-H678 PolarHBondContact O-CE1 2.81Å
626	P	98.3	Very high	97.4	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.216	C	C	.	.			trans	-61.5	132.4	166.8	28.5	-31.9	0	0	0	108.4	V615 F618 F654 D655	V615-P626 HydrophobicContact CG1-CG 4Å; V615-P626 HydrophobicContact CG2-CG 4.28Å; F618-P626 HydrophobicContact CD1-CB 3.91Å; F618-P626 HydrophobicContact CD1-CG 4.13Å; F618-P626 HydrophobicContact CE1-CB 3.82Å; F618-P626 HydrophobicContact CE1-CG 4.49Å; F618-P626 HydrophobicContact CG-CB 4.38Å; F618-P626 HydrophobicContact CZ-CB 4.2Å; P626-F654 HydrophobicContact CB-CD1 3.73Å; P626-F654 HydrophobicContact CB-CE1 3.68Å; P626-F654 HydrophobicContact CB-CG 4.46Å; P626-F654 HydrophobicContact CB-CZ 4.37Å; P626-F654 HydrophobicContact CG-CD1 3.63Å; P626-F654 HydrophobicContact CG-CD2 4.17Å; P626-F654 HydrophobicContact CG-CE1 3.73Å; P626-F654 HydrophobicContact CG-CE2 4.24Å; P626-F654 HydrophobicContact CG-CG 3.88Å; P626-F654 HydrophobicContact CG-CZ 4.05Å; P626-F654 WeakPolarHBondContact O-CA 3.3Å; P626-D655 PolarHBondContact O-N 3.44Å
627	R	98.6	Very high	97.3	Very high	69 Å²	69	39.8 Å²	39.8	26%	0.26	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	121.9	-170	-166.9	175	-173.5	165	8.3	110.7	N625 D655 D657 A675 V677 H678 C679	N625-R627 PolarHBondContact O-N 3.41Å; R627-D655 CarbonylContact C-O 3.6Å; R627-D655 VanDerWaalsContact CA-O 3.25Å; R627-D655 WeakPolarHBondContact CA-O 3.49Å; R627-D655 HydrophobicContact CB-CB 4.22Å; R627-D655 HydrophobicContact CG-CB 3.92Å; R627-D655 WeakPolarHBondContact CG-O 3.2Å; R627-D657 IonicContact CZ-OD2 3.53Å; R627-D657 VanDerWaalsContact CZ-OD2 3.23Å; R627-D657 IonicContact NE-OD2 2.59Å; R627-D657 PolarHBondContact NE-OD2 3.48Å; R627-D657 IonicContact NH2-OD1 3.47Å; R627-D657 PolarHBondContact NH2-OD1 2.94Å; R627-D657 VanDerWaalsContact NH2-OD1 3.1Å; R627-D657 IonicContact NH2-OD2 3.07Å; R627-D657 PolarHBondContact NH2-OD2 3.17Å; R627-A675 PolarHBondContact NE-O 3.42Å; R627-A675 PolarHBondContact NH1-O 3.25Å; R627-V677 HydrophobicContact CG-CB 4.43Å; R627-V677 HydrophobicContact CG-CG1 4.06Å; R627-H678 WeakPolarHBondContact CB-ND1 3.16Å; R627-H678 PolarHBondContact N-ND1 3.03Å; R627-H678 PolarHBondContact O-N 3Å; R627-C679 PolarHBondContact O-N 2.87Å
628	L	98.4	Very high	97.2	Very high	3 Å²	3	40 Å²	40	2%	0.016	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	125.2	-173	176.7	66.8	0	0	0	110.2	V630 F649 F654 D655 V656 D657 C679 I711	L628-V630 HydrophobicContact CD2-CG2 3.82Å; L628-V630 HydrophobicContact CG-CG2 4.01Å; L628-F649 HydrophobicContact CD2-CD1 3.67Å; L628-F649 HydrophobicContact CD2-CE1 3.95Å; L628-F649 HydrophobicContact CD2-CG 4.29Å; L628-F654 HydrophobicContact CB-CD1 4.45Å; L628-D655 PolarHBondContact N-O 3.02Å; L628-V656 WeakPolarHBondContact O-CA 3.47Å; L628-D657 PolarHBondContact O-N 2.98Å; L628-C679 WeakPolarHBondContact CA-O 3.28Å; L628-C679 HydrophobicContact CD1-CB 4.03Å; L628-I711 HydrophobicContact CD1-CD1 4.31Å
629	L	98.6	Very high	97.1	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	111.3	164	175	62	0	0	0	109.1	A631 D657 V668 Q671 A672 V677 C679 V680 G681	L629-A631 HydrophobicContact CG-CB 4.34Å; L629-D657 WeakPolarHBondContact CA-O 3.32Å; L629-D657 HydrophobicContact CD1-CB 3.86Å; L629-V668 HydrophobicContact CD2-CG1 4.1Å; L629-Q671 HydrophobicContact CD1-CG 4.3Å; L629-Q671 HydrophobicContact CD2-CB 4.28Å; L629-Q671 HydrophobicContact CD2-CG 4.14Å; L629-A672 HydrophobicContact CD2-CB 3.87Å; L629-V677 HydrophobicContact CB-CB 4.47Å; L629-V677 HydrophobicContact CB-CG1 3.97Å; L629-V677 HydrophobicContact CB-CG2 4.17Å; L629-C679 PolarHBondContact N-O 3.06Å; L629-V680 HydrophobicContact CB-CG2 4.44Å; L629-V680 HydrophobicContact CD2-CG1 4.43Å; L629-V680 HydrophobicContact CD2-CG2 4.37Å; L629-V680 CarbonylContact O-C 3.45Å; L629-V680 WeakPolarHBondContact O-CA 3.38Å; L629-G681 PolarHBondContact O-N 3.02Å
630	V	98.3	Very high	97	Very high	7 Å²	7	37.3 Å²	37.3	4%	0.042	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	111.9	170.2	-176.3	0	0	0	0	108.5	L628 A642 I645 A646 V656 D657 G659 G681	L628-V630 HydrophobicContact CD2-CG2 3.82Å; L628-V630 HydrophobicContact CG-CG2 4.01Å; V630-A642 HydrophobicContact CG1-CB 3.73Å; V630-I645 HydrophobicContact CG2-CG2 4.27Å; V630-A646 HydrophobicContact CG2-CB 4.3Å; V630-V656 HydrophobicContact CG2-CG1 3.96Å; V630-D657 PolarHBondContact N-O 2.99Å; V630-G659 PolarHBondContact O-N 2.97Å; V630-G681 WeakPolarHBondContact CA-O 3.49Å
631	A	97.9	Very high	96.9	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	147.1	-169.6	0	0	0	0	0	113.2	L629 V668 V680 G681 S683	L629-A631 HydrophobicContact CG-CB 4.34Å; A631-V668 HydrophobicContact CB-CG1 3.64Å; A631-V668 HydrophobicContact CB-CG2 4.16Å; A631-V680 HydrophobicContact CB-CG1 3.98Å; A631-G681 PolarHBondContact N-O 3.03Å; A631-S683 PolarHBondContact O-N 3.34Å
632	K	97.6	Very high	97	Very high	6 Å²	6	24.9 Å²	24.9	3%	0.026	14%	0.142	C	C	.	.			trans	-115.3	131.5	167	-64.4	-62.4	-56.9	-177	0	107.9	D636 H638 A642 L661 S683	K632-D636 WeakPolarHBondContact CE-O 3.43Å; K632-D636 VanDerWaalsContact NZ-CG 3.28Å; K632-D636 IonicContact NZ-OD1 3.64Å; K632-D636 IonicContact NZ-OD2 2.98Å; K632-D636 PolarHBondContact NZ-OD2 3.37Å; K632-H638 WeakPolarHBondContact CE-O 3.34Å; K632-H638 PolarHBondContact NZ-O 3.44Å; K632-A642 HydrophobicContact CD-CB 4.24Å; K632-L661 HydrophobicContact CB-CD2 4.23Å; K632-L661 HydrophobicContact CG-CD2 4.01Å; K632-S683 WeakPolarHBondContact CD-O 3.4Å; K632-S683 VanDerWaalsContact CE-O 3.3Å; K632-S683 WeakPolarHBondContact CE-O 3.32Å; K632-S683 PolarHBondContact NZ-O 2.73Å
633	M	97.3	Very high	97	Very high	9 Å²	9	23.7 Å²	23.7	4%	0.044	14%	0.136	C	C	.	.	B	Isolated β-bridge	trans	-121.1	152.3	178.4	-68.9	-171	-65.8	0	0	111.1	Q663 P665 V668 V682 L692 V693 L696	M633-Q663 VanDerWaalsContact CA-O 3.31Å; M633-Q663 WeakPolarHBondContact CA-O 3.35Å; M633-P665 HydrophobicContact SD-CB 3.98Å; M633-P665 HydrophobicContact SD-CG 3.99Å; M633-V668 HydrophobicContact CG-CB 4.43Å; M633-V668 HydrophobicContact CG-CG2 3.67Å; M633-V668 HydrophobicContact SD-CB 4.43Å; M633-V668 HydrophobicContact SD-CG2 4.29Å; M633-V682 HydrophobicContact CE-CB 4.31Å; M633-V682 HydrophobicContact CE-CG1 3.55Å; M633-V682 HydrophobicContact CE-CG2 3.73Å; M633-L692 HydrophobicContact CB-CB 4.29Å; M633-L692 HydrophobicContact CB-CD1 4.04Å; M633-L692 HydrophobicContact CE-CB 4.03Å; M633-L692 HydrophobicContact SD-CB 4.49Å; M633-V693 HydrophobicContact CE-CG2 4.13Å; M633-L696 HydrophobicContact CE-CB 4.08Å; M633-L696 HydrophobicContact CE-CD2 3.91Å; M633-L696 HydrophobicContact SD-CB 3.9Å; M633-L696 HydrophobicContact SD-CD2 4.05Å; M633-L696 HydrophobicContact SD-CG 4.37Å
634	G	96.8	Very high	97	Very high	4 Å²	4	20.8 Å²	20.8	4%	0.041	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.9	-157.4	-178.5	0	0	0	0	0	111.7	D636 F662 Q663	G634-D636 VanDerWaalsContact C-N 3.26Å; G634-D636 PolarHBondContact O-N 2.92Å; G634-F662 VanDerWaalsContact O-CA 3.29Å; G634-F662 WeakPolarHBondContact O-CA 3.49Å; G634-Q663 PolarHBondContact N-O 3.06Å
635	Q	97.1	Very high	97	Very high	4 Å²	4	19.5 Å²	19.5	2%	0.019	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	6.2	-175.5	-57.3	-50.3	-62.8	0	0	114.3	L151 R163 V164 D167 G637	L151-Q635 HydrophobicContact CB-CB 3.62Å; L151-Q635 HydrophobicContact CD1-CB 4.32Å; R163-Q635 PolarHBondContact O-NE2 3.26Å; V164-Q635 HydrophobicContact CB-CG 4.34Å; V164-Q635 HydrophobicContact CG1-CG 3.67Å; D167-Q635 HydrophobicContact CB-CB 4.36Å; D167-Q635 HydrophobicContact CB-CG 4.33Å; D167-Q635 PolarHBondContact OD1-N 2.86Å; D167-Q635 WeakPolarHBondContact OD2-CG 3.49Å; D167-Q635 PolarHBondContact OD2-N 3.44Å; Q635-G637 PolarHBondContact O-N 3.39Å; Q635-G637 VanDerWaalsContact O-N 3.13Å
636	D	95.8	Very high	96.9	Very high	3 Å²	3	18.1 Å²	18.1	2%	0.016	10%	0.096	C	C	.	.			trans	-65.7	109.2	-175.5	-174.1	6.5	0	0	0	112.9	K632 G634 H638 L685 A686	K632-D636 WeakPolarHBondContact CE-O 3.43Å; K632-D636 VanDerWaalsContact NZ-CG 3.28Å; K632-D636 IonicContact NZ-OD1 3.64Å; K632-D636 IonicContact NZ-OD2 2.98Å; K632-D636 PolarHBondContact NZ-OD2 3.37Å; G634-D636 VanDerWaalsContact C-N 3.26Å; G634-D636 PolarHBondContact O-N 2.92Å; D636-H638 WeakPolarHBondContact OD1-CB 3.42Å; D636-H638 IonicContact OD1-CE1 3.27Å; D636-H638 IonicContact OD1-CG 3.52Å; D636-H638 PolarHBondContact OD1-N 3.39Å; D636-H638 IonicContact OD1-ND1 2.83Å; D636-H638 PolarHBondContact OD1-ND1 3.49Å; D636-L685 PolarHBondContact OD2-N 3.39Å; D636-A686 HydrophobicContact CB-CB 3.76Å
637	G	95.1	Very high	96.8	Very high	5 Å²	5	18.3 Å²	18.3	5%	0.052	10%	0.097	C	C	.	.			trans	-85.3	-6.1	178.8	0	0	0	0	0	115.2	N240 Q635 D639	N240-G637 PolarHBondContact ND2-O 3.32Å; Q635-G637 PolarHBondContact O-N 3.39Å; Q635-G637 VanDerWaalsContact O-N 3.13Å; G637-D639 PolarHBondContact O-N 3.14Å; G637-D639 VanDerWaalsContact O-N 3.15Å
638	H	95.3	Very high	96.7	Very high	103 Å²	103	15 Å²	15	48%	0.477	9%	0.085	S	C	.	.			trans	-72.4	109.4	-177.5	-59.6	91.9	0	0	0	110.9	K632 D636 L685	K632-H638 WeakPolarHBondContact CE-O 3.34Å; K632-H638 PolarHBondContact NZ-O 3.44Å; D636-H638 WeakPolarHBondContact OD1-CB 3.42Å; D636-H638 IonicContact OD1-CE1 3.27Å; D636-H638 IonicContact OD1-CG 3.52Å; D636-H638 PolarHBondContact OD1-N 3.39Å; D636-H638 IonicContact OD1-ND1 2.83Å; D636-H638 PolarHBondContact OD1-ND1 3.49Å; H638-L685 HydrophobicContact CB-CB 3.93Å; H638-L685 HydrophobicContact CB-CD1 4.17Å; H638-L685 HydrophobicContact CB-CD2 3.97Å; H638-L685 HydrophobicContact CB-CG 4.25Å
639	D	95.8	Very high	96.7	Very high	14 Å²	14	15.1 Å²	15.1	8%	0.075	9%	0.085	C	C	.	.			trans	-115.7	-8.8	-174.9	67.7	-1.1	0	0	0	114.5	N240 K476 G637 G641 A642 K643	N240-D639 PolarHBondContact ND2-OD2 3.41Å; K476-D639 IonicContact NZ-OD1 3.43Å; K476-D639 IonicContact NZ-OD2 3.85Å; K476-D639 PolarHBondContact NZ-OD2 2.86Å; G637-D639 PolarHBondContact O-N 3.14Å; G637-D639 VanDerWaalsContact O-N 3.15Å; D639-G641 PolarHBondContact O-N 3.18Å; D639-A642 PolarHBondContact O-N 2.88Å; D639-K643 HydrophobicContact CB-CG 4.25Å; D639-K643 WeakPolarHBondContact O-CB 3.49Å; D639-K643 VanDerWaalsContact O-CG 3.23Å; D639-K643 WeakPolarHBondContact O-CG 3.39Å; D639-K643 PolarHBondContact O-N 3.48Å
640	R	96.4	Very high	96.6	Very high	30 Å²	30	16.4 Å²	16.4	11%	0.113	10%	0.096	C	C	.	.	H	α-helix	trans	-51.2	-54.8	-179.2	-179.7	-179	175.3	176.8	-6.6	112.7	E279 A280 W367 A483 K643 V644	E279-R640 VanDerWaalsContact O-CD 3.27Å; E279-R640 WeakPolarHBondContact O-CD 3.49Å; E279-R640 PolarHBondContact O-NH1 3.18Å; A280-R640 WeakPolarHBondContact O-CD 3.43Å; W367-R640 VanDerWaalsContact CD1-CZ 3.49Å; W367-R640 VanDerWaalsContact CD2-NH1 3.28Å; W367-R640 VanDerWaalsContact NE1-NH2 3.17Å; A483-R640 HydrophobicContact CB-CG 4.26Å; R640-K643 PolarHBondContact O-N 2.96Å; R640-V644 HydrophobicContact CG-CG2 4.48Å; R640-V644 WeakPolarHBondContact O-CB 3.38Å; R640-V644 VanDerWaalsContact O-CG2 3.31Å; R640-V644 WeakPolarHBondContact O-CG2 3.42Å; R640-V644 PolarHBondContact O-N 3.15Å
641	G	95.1	Very high	96.5	Very high	37 Å²	37	16.9 Å²	16.9	38%	0.381	10%	0.098	S	C	.	.	H	α-helix	trans	-61.6	-45.7	179.9	0	0	0	0	0	112.3	D639 K643 V644 I645	D639-G641 PolarHBondContact O-N 3.18Å; G641-K643 PolarHBondContact O-N 3.38Å; G641-V644 PolarHBondContact O-N 3.45Å; G641-I645 WeakPolarHBondContact O-CB 3.47Å; G641-I645 VanDerWaalsContact O-CG1 3.29Å; G641-I645 WeakPolarHBondContact O-CG1 3.28Å; G641-I645 PolarHBondContact O-N 3.28Å
642	A	96.3	Very high	96.4	Very high	7 Å²	7	17 Å²	17	6%	0.058	10%	0.099	C	C	.	.	H	α-helix	trans	-58.7	-44.5	176.5	0	0	0	0	0	112.3	V630 K632 D639 A646	V630-A642 HydrophobicContact CG1-CB 3.73Å; K632-A642 HydrophobicContact CD-CB 4.24Å; D639-A642 PolarHBondContact O-N 2.88Å; A642-A646 VanDerWaalsContact O-CB 3.29Å; A642-A646 WeakPolarHBondContact O-CB 3.41Å; A642-A646 PolarHBondContact O-N 3.42Å
643	K	96.1	Very high	96.3	Very high	22 Å²	22	17.8 Å²	17.8	10%	0.096	11%	0.108	C	C	.	.	H	α-helix	trans	-69	-41.7	179.9	-70.3	-70.1	-173.7	171.8	0	112.6	R592 D639 R640 G641 A646 T647 I658	R592-K643 PolarHBondContact O-NZ 2.97Å; D639-K643 HydrophobicContact CB-CG 4.25Å; D639-K643 WeakPolarHBondContact O-CB 3.49Å; D639-K643 VanDerWaalsContact O-CG 3.23Å; D639-K643 WeakPolarHBondContact O-CG 3.39Å; D639-K643 PolarHBondContact O-N 3.48Å; R640-K643 PolarHBondContact O-N 2.96Å; G641-K643 PolarHBondContact O-N 3.38Å; K643-A646 PolarHBondContact O-N 3.13Å; K643-T647 WeakPolarHBondContact O-CG2 3.38Å; K643-T647 PolarHBondContact O-N 2.98Å; K643-I658 HydrophobicContact CD-CD1 4.31Å
644	V	96.7	Very high	96.4	Very high	7 Å²	7	17.7 Å²	17.7	4%	0.042	11%	0.108	C	C	.	.	H	α-helix	trans	-65.8	-41.8	176.8	165.9	0	0	0	0	111	A483 Q487 R640 G641 T647 G648 I739	A483-V644 HydrophobicContact CB-CG2 3.98Å; Q487-V644 HydrophobicContact CB-CG1 3.59Å; Q487-V644 HydrophobicContact CG-CG1 3.54Å; R640-V644 HydrophobicContact CG-CG2 4.48Å; R640-V644 WeakPolarHBondContact O-CB 3.38Å; R640-V644 VanDerWaalsContact O-CG2 3.31Å; R640-V644 WeakPolarHBondContact O-CG2 3.42Å; R640-V644 PolarHBondContact O-N 3.15Å; G641-V644 PolarHBondContact O-N 3.45Å; V644-T647 WeakPolarHBondContact O-CG2 3.24Å; V644-G648 PolarHBondContact O-N 3.29Å; V644-I739 HydrophobicContact CG1-CD1 3.75Å
645	I	97	Very high	96.5	Very high	51 Å²	51	20.8 Å²	20.8	26%	0.262	12%	0.124	S	C	.	.	H	α-helix	trans	-62	-46.7	171.7	-71.3	-70.4	0	0	0	110.6	V630 G641 T647 G648 F649 I739	V630-I645 HydrophobicContact CG2-CG2 4.27Å; G641-I645 WeakPolarHBondContact O-CB 3.47Å; G641-I645 VanDerWaalsContact O-CG1 3.29Å; G641-I645 WeakPolarHBondContact O-CG1 3.28Å; G641-I645 PolarHBondContact O-N 3.28Å; I645-T647 PolarHBondContact O-N 3.29Å; I645-G648 PolarHBondContact O-N 3.21Å; I645-F649 HydrophobicContact CD1-CE2 4.09Å; I645-F649 HydrophobicContact CG2-CD2 3.89Å; I645-F649 HydrophobicContact CG2-CE2 4Å; I645-F649 HydrophobicContact CG2-CG 4.45Å; I645-F649 WeakPolarHBondContact O-CB 3.43Å; I645-F649 WeakPolarHBondContact O-CD2 3.29Å; I645-F649 PolarHBondContact O-N 3.05Å; I645-I739 HydrophobicContact CD1-CG1 4.14Å
646	A	96.6	Very high	96.5	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-60.3	-48.6	-178.1	0	0	0	0	0	112.5	V630 A642 K643 A650 V656 I658	V630-A646 HydrophobicContact CG2-CB 4.3Å; A642-A646 VanDerWaalsContact O-CB 3.29Å; A642-A646 WeakPolarHBondContact O-CB 3.41Å; A642-A646 PolarHBondContact O-N 3.42Å; K643-A646 PolarHBondContact O-N 3.13Å; A646-A650 VanDerWaalsContact O-CB 3.27Å; A646-A650 WeakPolarHBondContact O-CB 3.32Å; A646-A650 PolarHBondContact O-N 3.27Å; A646-V656 HydrophobicContact CB-CG1 3.78Å; A646-I658 HydrophobicContact CB-CD1 3.78Å; A646-I658 HydrophobicContact CB-CG1 3.86Å
647	T	96.4	Very high	96.6	Very high	4 Å²	4	23.7 Å²	23.7	3%	0.025	14%	0.14	C	C	.	.	H	α-helix	trans	-68.2	-39.6	177.8	-168.7	0	0	0	0	112.1	A484 V594 K643 V644 I645 A650 D651	A484-T647 HydrophobicContact CB-CG2 4.02Å; V594-T647 WeakPolarHBondContact O-CB 3.28Å; V594-T647 PolarHBondContact O-OG1 3.35Å; K643-T647 WeakPolarHBondContact O-CG2 3.38Å; K643-T647 PolarHBondContact O-N 2.98Å; V644-T647 WeakPolarHBondContact O-CG2 3.24Å; I645-T647 PolarHBondContact O-N 3.29Å; T647-A650 PolarHBondContact O-N 3.43Å; T647-D651 WeakPolarHBondContact O-CB 3.36Å; T647-D651 PolarHBondContact O-N 2.97Å
648	G	96.9	Very high	96.6	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-65.4	-44.1	178.6	0	0	0	0	0	113	V644 I645 D651 L652	V644-G648 PolarHBondContact O-N 3.29Å; I645-G648 PolarHBondContact O-N 3.21Å; G648-D651 PolarHBondContact O-N 2.79Å; G648-L652 VanDerWaalsContact O-CG 3.32Å; G648-L652 WeakPolarHBondContact O-CG 3.23Å; G648-L652 PolarHBondContact O-N 3.13Å
649	F	97.9	Very high	96.6	Very high	4 Å²	4	20.4 Å²	20.4	2%	0.018	13%	0.126	C	C	.	.	H	α-helix	trans	-67.2	-39.4	176	-85.6	-125.3	0	0	0	111.5	L628 I645 L652 G653 F654 V656 I739 A742 V746	L628-F649 HydrophobicContact CD2-CD1 3.67Å; L628-F649 HydrophobicContact CD2-CE1 3.95Å; L628-F649 HydrophobicContact CD2-CG 4.29Å; I645-F649 HydrophobicContact CD1-CE2 4.09Å; I645-F649 HydrophobicContact CG2-CD2 3.89Å; I645-F649 HydrophobicContact CG2-CE2 4Å; I645-F649 HydrophobicContact CG2-CG 4.45Å; I645-F649 WeakPolarHBondContact O-CB 3.43Å; I645-F649 WeakPolarHBondContact O-CD2 3.29Å; I645-F649 PolarHBondContact O-N 3.05Å; F649-L652 PolarHBondContact O-N 3.08Å; F649-G653 PolarHBondContact O-N 2.93Å; F649-G653 VanDerWaalsContact O-N 3.12Å; F649-F654 HydrophobicContact CB-CB 4.13Å; F649-F654 HydrophobicContact CB-CD2 4.17Å; F649-F654 HydrophobicContact CB-CG 4.13Å; F649-F654 AromaticContact CD1-CD1 3.78Å; F649-F654 HydrophobicContact CD1-CD1 3.78Å; F649-F654 AromaticContact CD1-CD2 3.89Å; F649-F654 HydrophobicContact CD1-CD2 3.89Å; F649-F654 AromaticContact CD1-CE1 3.72Å; F649-F654 HydrophobicContact CD1-CE1 3.72Å; F649-F654 AromaticContact CD1-CE2 3.85Å; F649-F654 HydrophobicContact CD1-CE2 3.85Å; F649-F654 AromaticContact CD1-CG 3.84Å; F649-F654 HydrophobicContact CD1-CG 3.84Å; F649-F654 AromaticContact CD1-CZ 3.74Å; F649-F654 HydrophobicContact CD1-CZ 3.74Å; F649-F654 HydrophobicContact CE1-CD1 4.48Å; F649-F654 AromaticContact CE1-CE1 3.99Å; F649-F654 HydrophobicContact CE1-CE1 3.99Å; F649-F654 HydrophobicContact CE1-CE2 4.3Å; F649-F654 AromaticContact CE1-CZ 3.87Å; F649-F654 HydrophobicContact CE1-CZ 3.87Å; F649-F654 HydrophobicContact CG-CD2 4.34Å; F649-F654 HydrophobicContact CG-CG 4.44Å; F649-F654 WeakPolarHBondContact O-CB 3.49Å; F649-F654 WeakPolarHBondContact O-CD2 3.38Å; F649-F654 PolarHBondContact O-N 3.37Å; F649-V656 HydrophobicContact CB-CG2 3.9Å; F649-I739 HydrophobicContact CD2-CG2 3.73Å; F649-I739 HydrophobicContact CE2-CG2 3.84Å; F649-A742 HydrophobicContact CE2-CB 4.46Å; F649-A742 HydrophobicContact CZ-CB 4.25Å; F649-V746 HydrophobicContact CE1-CB 4.27Å; F649-V746 HydrophobicContact CE1-CG1 4.46Å; F649-V746 HydrophobicContact CE1-CG2 4.2Å; F649-V746 HydrophobicContact CZ-CG2 4.32Å
650	A	96.8	Very high	96.6	Very high	28 Å²	28	22.8 Å²	22.8	23%	0.231	14%	0.142	C	C	.	.	H	α-helix	trans	-61.8	-42.8	174.3	0	0	0	0	0	111.8	M593 A646 T647 L652 G653 V656	M593-A650 HydrophobicContact CE-CB 4.28Å; A646-A650 VanDerWaalsContact O-CB 3.27Å; A646-A650 WeakPolarHBondContact O-CB 3.32Å; A646-A650 PolarHBondContact O-N 3.27Å; T647-A650 PolarHBondContact O-N 3.43Å; A650-L652 PolarHBondContact O-N 2.8Å; A650-G653 PolarHBondContact O-N 3.22Å; A650-V656 HydrophobicContact CB-CG2 4.21Å
651	D	95.8	Very high	96.5	Very high	17 Å²	17	23.1 Å²	23.1	9%	0.091	15%	0.146	C	C	.	.	H	α-helix	trans	-62.4	-25.7	176.1	-82.5	3.3	0	0	0	113.2	G596 R599 T647 G648	G596-D651 VanDerWaalsContact CA-OD1 3.32Å; G596-D651 WeakPolarHBondContact CA-OD1 3.27Å; G596-D651 WeakPolarHBondContact CA-OD2 3.24Å; G596-D651 PolarHBondContact N-OD1 3.07Å; G596-D651 PolarHBondContact N-OD2 3.32Å; R599-D651 HydrophobicContact CB-CB 3.97Å; R599-D651 PolarHBondContact N-OD2 3.04Å; R599-D651 PolarHBondContact NH1-O 3.12Å; T647-D651 WeakPolarHBondContact O-CB 3.36Å; T647-D651 PolarHBondContact O-N 2.97Å; G648-D651 PolarHBondContact O-N 2.79Å
652	L	96	Very high	96.6	Very high	2 Å²	2	22.7 Å²	22.7	1%	0.01	13%	0.134	C	C	.	.	H	α-helix	trans	-85.9	-14.2	174.7	-65.6	173.1	0	0	0	113.3	I608 A611 H612 G648 F649 A650 I739 S743	I608-L652 HydrophobicContact CD1-CD2 4.05Å; I608-L652 HydrophobicContact CG2-CD2 4.06Å; A611-L652 HydrophobicContact CB-CD1 4.24Å; A611-L652 HydrophobicContact CB-CD2 4.07Å; H612-L652 PolarHBondContact ND1-O 3.49Å; G648-L652 VanDerWaalsContact O-CG 3.32Å; G648-L652 WeakPolarHBondContact O-CG 3.23Å; G648-L652 PolarHBondContact O-N 3.13Å; F649-L652 PolarHBondContact O-N 3.08Å; A650-L652 PolarHBondContact O-N 2.8Å; L652-I739 HydrophobicContact CD1-CG2 4.19Å; L652-S743 WeakPolarHBondContact CD1-OG 3.42Å
653	G	96.3	Very high	96.6	Very high	22 Å²	22	23.3 Å²	23.3	23%	0.227	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	112.8	10.4	172	0	0	0	0	0	116	V615 F649 A650	V615-G653 WeakPolarHBondContact CG1-O 3.41Å; F649-G653 PolarHBondContact O-N 2.93Å; F649-G653 VanDerWaalsContact O-N 3.12Å; A650-G653 PolarHBondContact O-N 3.22Å
654	F	98.3	Very high	96.7	Very high	8 Å²	8	24 Å²	24	4%	0.035	14%	0.141	C	C	.	.			trans	-69.8	150.2	171.5	-76.3	-113.1	0	0	0	111.2	V615 P626 L628 F649 V656 V746 I747	V615-F654 HydrophobicContact CG2-CD2 3.82Å; V615-F654 HydrophobicContact CG2-CE2 3.55Å; V615-F654 HydrophobicContact CG2-CZ 4.45Å; P626-F654 HydrophobicContact CB-CD1 3.73Å; P626-F654 HydrophobicContact CB-CE1 3.68Å; P626-F654 HydrophobicContact CB-CG 4.46Å; P626-F654 HydrophobicContact CB-CZ 4.37Å; P626-F654 HydrophobicContact CG-CD1 3.63Å; P626-F654 HydrophobicContact CG-CD2 4.17Å; P626-F654 HydrophobicContact CG-CE1 3.73Å; P626-F654 HydrophobicContact CG-CE2 4.24Å; P626-F654 HydrophobicContact CG-CG 3.88Å; P626-F654 HydrophobicContact CG-CZ 4.05Å; P626-F654 WeakPolarHBondContact O-CA 3.3Å; L628-F654 HydrophobicContact CB-CD1 4.45Å; F649-F654 HydrophobicContact CB-CB 4.13Å; F649-F654 HydrophobicContact CB-CD2 4.17Å; F649-F654 HydrophobicContact CB-CG 4.13Å; F649-F654 AromaticContact CD1-CD1 3.78Å; F649-F654 HydrophobicContact CD1-CD1 3.78Å; F649-F654 AromaticContact CD1-CD2 3.89Å; F649-F654 HydrophobicContact CD1-CD2 3.89Å; F649-F654 AromaticContact CD1-CE1 3.72Å; F649-F654 HydrophobicContact CD1-CE1 3.72Å; F649-F654 AromaticContact CD1-CE2 3.85Å; F649-F654 HydrophobicContact CD1-CE2 3.85Å; F649-F654 AromaticContact CD1-CG 3.84Å; F649-F654 HydrophobicContact CD1-CG 3.84Å; F649-F654 AromaticContact CD1-CZ 3.74Å; F649-F654 HydrophobicContact CD1-CZ 3.74Å; F649-F654 HydrophobicContact CE1-CD1 4.48Å; F649-F654 AromaticContact CE1-CE1 3.99Å; F649-F654 HydrophobicContact CE1-CE1 3.99Å; F649-F654 HydrophobicContact CE1-CE2 4.3Å; F649-F654 AromaticContact CE1-CZ 3.87Å; F649-F654 HydrophobicContact CE1-CZ 3.87Å; F649-F654 HydrophobicContact CG-CD2 4.34Å; F649-F654 HydrophobicContact CG-CG 4.44Å; F649-F654 WeakPolarHBondContact O-CB 3.49Å; F649-F654 WeakPolarHBondContact O-CD2 3.38Å; F649-F654 PolarHBondContact O-N 3.37Å; F654-V656 HydrophobicContact CB-CG2 3.77Å; F654-V656 PolarHBondContact O-N 3.25Å; F654-V746 HydrophobicContact CE1-CG1 4.19Å; F654-I747 HydrophobicContact CE1-CG1 4.31Å; F654-I747 HydrophobicContact CE2-CD1 4.04Å; F654-I747 HydrophobicContact CE2-CG1 4.33Å; F654-I747 HydrophobicContact CZ-CD1 3.83Å; F654-I747 HydrophobicContact CZ-CG1 3.62Å
655	D	98.2	Very high	96.8	Very high	69 Å²	69	24 Å²	24	37%	0.369	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	110.3	160.9	-70.8	-10.5	0	0	0	107.7	N625 P626 R627 L628	N625-D655 HydrophobicContact CB-CB 4.33Å; N625-D655 PolarHBondContact ND2-OD1 2.99Å; P626-D655 PolarHBondContact O-N 3.44Å; R627-D655 CarbonylContact C-O 3.6Å; R627-D655 VanDerWaalsContact CA-O 3.25Å; R627-D655 WeakPolarHBondContact CA-O 3.49Å; R627-D655 HydrophobicContact CB-CB 4.22Å; R627-D655 HydrophobicContact CG-CB 3.92Å; R627-D655 WeakPolarHBondContact CG-O 3.2Å; L628-D655 PolarHBondContact N-O 3.02Å
656	V	97.8	Very high	96.8	Very high	26 Å²	26	25.7 Å²	25.7	16%	0.158	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	121.6	-174.7	-176	0	0	0	0	110.9	L628 V630 A646 F649 A650 F654	L628-V656 WeakPolarHBondContact O-CA 3.47Å; V630-V656 HydrophobicContact CG2-CG1 3.96Å; A646-V656 HydrophobicContact CB-CG1 3.78Å; F649-V656 HydrophobicContact CB-CG2 3.9Å; A650-V656 HydrophobicContact CB-CG2 4.21Å; F654-V656 HydrophobicContact CB-CG2 3.77Å; F654-V656 PolarHBondContact O-N 3.25Å
657	D	97.3	Very high	96.9	Very high	41 Å²	41	28.9 Å²	28.9	22%	0.219	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	136	167.9	-62.5	-63.3	0	0	0	109.2	R627 L628 L629 V630	R627-D657 IonicContact CZ-OD2 3.53Å; R627-D657 VanDerWaalsContact CZ-OD2 3.23Å; R627-D657 IonicContact NE-OD2 2.59Å; R627-D657 PolarHBondContact NE-OD2 3.48Å; R627-D657 IonicContact NH2-OD1 3.47Å; R627-D657 PolarHBondContact NH2-OD1 2.94Å; R627-D657 VanDerWaalsContact NH2-OD1 3.1Å; R627-D657 IonicContact NH2-OD2 3.07Å; R627-D657 PolarHBondContact NH2-OD2 3.17Å; L628-D657 PolarHBondContact O-N 2.98Å; L629-D657 WeakPolarHBondContact CA-O 3.32Å; L629-D657 HydrophobicContact CD1-CB 3.86Å; V630-D657 PolarHBondContact N-O 2.99Å
658	I	96.3	Very high	97	Very high	33 Å²	33	28.7 Å²	28.7	17%	0.169	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	116.1	176.5	-57.3	176	0	0	0	108.6	T591 M593 K643 A646	T591-I658 HydrophobicContact CG2-CB 4.27Å; T591-I658 HydrophobicContact CG2-CD1 4.25Å; T591-I658 HydrophobicContact CG2-CG2 4.21Å; M593-I658 HydrophobicContact CB-CD1 4.3Å; M593-I658 HydrophobicContact CG-CD1 3.96Å; M593-I658 HydrophobicContact SD-CD1 3.85Å; K643-I658 HydrophobicContact CD-CD1 4.31Å; A646-I658 HydrophobicContact CB-CD1 3.78Å; A646-I658 HydrophobicContact CB-CG1 3.86Å
659	G	95.4	Very high	97.1	Very high	6 Å²	6	28.7 Å²	28.7	6%	0.062	17%	0.165	C	C	.	.	P	Polyproline II helix	trans	-62.7	137.3	173.2	0	0	0	0	0	111.5	V630	V630-G659 PolarHBondContact O-N 2.97Å
660	P	94.9	Very high	97.2	Very high	65 Å²	65	32.2 Å²	32.2	42%	0.422	18%	0.181	S	C	.	.	P	Polyproline II helix	trans	-54.1	155.5	166.5	-25.2	33	0	0	0	112.6	Q663	P660-Q663 HydrophobicContact CB-CG 4.3Å; P660-Q663 PolarHBondContact O-OE1 3.09Å
661	L	95.5	Very high	97.2	Very high	36 Å²	36	33.1 Å²	33.1	19%	0.188	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	153.5	169.4	-67	168.4	0	0	0	110.8	N240 K632 Q663	N240-L661 HydrophobicContact CB-CD1 3.8Å; N240-L661 VanDerWaalsContact CG-CD1 3.45Å; K632-L661 HydrophobicContact CB-CD2 4.23Å; K632-L661 HydrophobicContact CG-CD2 4.01Å; L661-Q663 VanDerWaalsContact C-N 3.34Å; L661-Q663 PolarHBondContact O-N 2.71Å
662	F	96.1	Very high	97.4	Very high	28 Å²	28	32.3 Å²	32.3	12%	0.123	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	68	23.6	171.2	-34.6	-54.2	0	0	0	116.7	R155 N240 Y242 G634	R155-F662 VanDerWaalsContact CZ-CE2 3.45Å; R155-F662 VanDerWaalsContact NH2-CD2 3.33Å; N240-F662 HydrophobicContact CB-CZ 4.32Å; N240-F662 WeakPolarHBondContact O-CZ 3.46Å; Y242-F662 HydrophobicContact CE2-CE2 4.19Å; G634-F662 VanDerWaalsContact O-CA 3.29Å; G634-F662 WeakPolarHBondContact O-CA 3.49Å
663	Q	97.1	Very high	97.5	Very high	21 Å²	21	33.7 Å²	33.7	10%	0.098	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-72.2	143.8	173.4	-67.9	-177.5	-66.2	0	0	111.4	M633 G634 P660 L661 E667 V668	M633-Q663 VanDerWaalsContact CA-O 3.31Å; M633-Q663 WeakPolarHBondContact CA-O 3.35Å; G634-Q663 PolarHBondContact N-O 3.06Å; P660-Q663 HydrophobicContact CB-CG 4.3Å; P660-Q663 PolarHBondContact O-OE1 3.09Å; L661-Q663 VanDerWaalsContact C-N 3.34Å; L661-Q663 PolarHBondContact O-N 2.71Å; Q663-E667 WeakPolarHBondContact CA-OE2 3.48Å; Q663-E667 HydrophobicContact CB-CB 4.09Å; Q663-E667 HydrophobicContact CG-CB 4.32Å; Q663-V668 HydrophobicContact CB-CG2 3.59Å; Q663-V668 HydrophobicContact CG-CG2 4.46Å
664	T	98	Very high	97.6	Very high	36 Å²	36	38.3 Å²	38.3	22%	0.221	20%	0.204	C	C	.	.			trans	-75	160.5	164.6	57.8	0	0	0	0	110.4	R163 L666 E667 V668	R163-T664 HydrophobicContact CG-CG2 4.44Å; T664-L666 PolarHBondContact O-N 2.93Å; T664-E667 PolarHBondContact N-OE2 3.4Å; T664-E667 PolarHBondContact O-N 3.03Å; T664-E667 VanDerWaalsContact O-N 3.09Å; T664-E667 WeakPolarHBondContact OG1-CB 3.2Å; T664-E667 VanDerWaalsContact OG1-CD 3.22Å; T664-E667 VanDerWaalsContact OG1-CG 3.28Å; T664-E667 WeakPolarHBondContact OG1-CG 3.41Å; T664-E667 PolarHBondContact OG1-N 2.72Å; T664-E667 PolarHBondContact OG1-OE2 3.05Å; T664-V668 PolarHBondContact O-N 2.67Å
665	P	98.1	Very high	97.6	Very high	8 Å²	8	38.7 Å²	38.7	5%	0.052	21%	0.209	C	C	.	.	H	α-helix	trans	-54.9	-35.7	174.6	-27.4	36.2	0	0	0	113.7	M633 V668 A669 L692 E695 L696	M633-P665 HydrophobicContact SD-CB 3.98Å; M633-P665 HydrophobicContact SD-CG 3.99Å; P665-V668 PolarHBondContact O-N 2.62Å; P665-A669 WeakPolarHBondContact O-CB 3.1Å; P665-A669 PolarHBondContact O-N 3.38Å; P665-L692 HydrophobicContact CG-CB 4.28Å; P665-L692 HydrophobicContact CG-CD2 3.97Å; P665-E695 HydrophobicContact CB-CB 3.84Å; P665-E695 HydrophobicContact CG-CB 3.85Å; P665-L696 HydrophobicContact CB-CB 4.12Å; P665-L696 WeakPolarHBondContact O-CD1 3.4Å
666	L	98.2	Very high	97.6	Very high	86 Å²	86	38.4 Å²	38.4	45%	0.45	21%	0.207	S	C	.	.	H	α-helix	trans	-66.6	-45.1	174.9	178.2	60.8	0	0	0	112.6	T664 V668 A669 Q670 E699	T664-L666 PolarHBondContact O-N 2.93Å; L666-V668 VanDerWaalsContact C-N 3.3Å; L666-V668 PolarHBondContact O-N 3.21Å; L666-A669 PolarHBondContact O-N 3.34Å; L666-Q670 WeakPolarHBondContact O-CB 3.37Å; L666-Q670 PolarHBondContact O-N 2.94Å; L666-E699 HydrophobicContact CB-CG 4.16Å; L666-E699 HydrophobicContact CD1-CB 4.3Å; L666-E699 HydrophobicContact CD1-CG 4.18Å
667	E	98.4	Very high	97.6	Very high	67 Å²	67	37.2 Å²	37.2	31%	0.313	20%	0.2	S	C	.	.	H	α-helix	trans	-62.6	-37.8	177.5	-73.9	158.3	160.7	0	0	111.2	R163 Q663 T664 Q671	R163-E667 IonicContact CZ-OE1 3.95Å; R163-E667 IonicContact NH1-OE1 2.77Å; R163-E667 PolarHBondContact NH1-OE1 2.86Å; R163-E667 IonicContact NH1-OE2 2.9Å; R163-E667 PolarHBondContact NH1-OE2 3.04Å; R163-E667 IonicContact NH2-OE1 3.8Å; R163-E667 PolarHBondContact NH2-OE1 3.47Å; Q663-E667 WeakPolarHBondContact CA-OE2 3.48Å; Q663-E667 HydrophobicContact CB-CB 4.09Å; Q663-E667 HydrophobicContact CG-CB 4.32Å; T664-E667 PolarHBondContact N-OE2 3.4Å; T664-E667 PolarHBondContact O-N 3.03Å; T664-E667 VanDerWaalsContact O-N 3.09Å; T664-E667 WeakPolarHBondContact OG1-CB 3.2Å; T664-E667 VanDerWaalsContact OG1-CD 3.22Å; T664-E667 VanDerWaalsContact OG1-CG 3.28Å; T664-E667 WeakPolarHBondContact OG1-CG 3.41Å; T664-E667 PolarHBondContact OG1-N 2.72Å; T664-E667 PolarHBondContact OG1-OE2 3.05Å; E667-Q671 WeakPolarHBondContact O-CB 3.48Å; E667-Q671 PolarHBondContact O-N 3.1Å; E667-Q671 VanDerWaalsContact O-N 3.1Å
668	V	98.6	Very high	97.7	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-67.5	-45.6	173.5	174.9	0	0	0	0	111.6	L629 A631 M633 Q663 T664 P665 L666 Q670 Q671 A672 V680 L696	L629-V668 HydrophobicContact CD2-CG1 4.1Å; A631-V668 HydrophobicContact CB-CG1 3.64Å; A631-V668 HydrophobicContact CB-CG2 4.16Å; M633-V668 HydrophobicContact CG-CB 4.43Å; M633-V668 HydrophobicContact CG-CG2 3.67Å; M633-V668 HydrophobicContact SD-CB 4.43Å; M633-V668 HydrophobicContact SD-CG2 4.29Å; Q663-V668 HydrophobicContact CB-CG2 3.59Å; Q663-V668 HydrophobicContact CG-CG2 4.46Å; T664-V668 PolarHBondContact O-N 2.67Å; P665-V668 PolarHBondContact O-N 2.62Å; L666-V668 VanDerWaalsContact C-N 3.3Å; L666-V668 PolarHBondContact O-N 3.21Å; V668-Q670 VanDerWaalsContact C-N 3.33Å; V668-Q670 PolarHBondContact O-N 2.71Å; V668-Q671 PolarHBondContact O-N 3.24Å; V668-A672 WeakPolarHBondContact O-CB 3.38Å; V668-A672 PolarHBondContact O-N 2.67Å; V668-V680 HydrophobicContact CG1-CG1 3.9Å; V668-L696 HydrophobicContact CB-CD1 4.04Å; V668-L696 HydrophobicContact CG1-CD1 3.74Å; V668-L696 HydrophobicContact CG1-CD2 4.34Å
669	A	98.8	Very high	97.8	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-58.7	-46.2	177.9	0	0	0	0	0	111	P665 L666 Q671 A672 V673 L696 E699 L700 L703	P665-A669 WeakPolarHBondContact O-CB 3.1Å; P665-A669 PolarHBondContact O-N 3.38Å; L666-A669 PolarHBondContact O-N 3.34Å; A669-Q671 PolarHBondContact O-N 3.14Å; A669-A672 WeakPolarHBondContact O-CB 3.48Å; A669-A672 PolarHBondContact O-N 2.96Å; A669-V673 WeakPolarHBondContact O-CG2 3.46Å; A669-V673 PolarHBondContact O-N 3.34Å; A669-L696 HydrophobicContact CB-CD1 3.98Å; A669-E699 HydrophobicContact CB-CB 3.68Å; A669-L700 HydrophobicContact CB-CD2 4.06Å; A669-L700 HydrophobicContact CB-CG 4.16Å; A669-L703 HydrophobicContact CB-CD1 3.86Å
670	Q	98.7	Very high	98	Very high	77 Å²	77	34.5 Å²	34.5	36%	0.36	18%	0.184	S	C	.	.	H	α-helix	trans	-60.3	-47	177.4	-170.8	64.2	60.1	0	0	111.4	L666 V668 A672 V673 D674 L703	L666-Q670 WeakPolarHBondContact O-CB 3.37Å; L666-Q670 PolarHBondContact O-N 2.94Å; V668-Q670 VanDerWaalsContact C-N 3.33Å; V668-Q670 PolarHBondContact O-N 2.71Å; Q670-A672 VanDerWaalsContact C-N 3.32Å; Q670-A672 PolarHBondContact O-N 2.99Å; Q670-V673 PolarHBondContact O-N 2.89Å; Q670-D674 PolarHBondContact NE2-OD1 3.5Å; Q670-D674 WeakPolarHBondContact O-CB 3.23Å; Q670-D674 PolarHBondContact O-N 2.91Å; Q670-L703 HydrophobicContact CB-CD1 4.38Å
671	Q	98.6	Very high	98.1	Very high	47 Å²	47	31.9 Å²	31.9	22%	0.22	17%	0.169	C	C	.	.	H	α-helix	trans	-61	-40.5	177.7	-177.3	177.6	-1.6	0	0	112.4	L629 E667 V668 A669 D674 A675	L629-Q671 HydrophobicContact CD1-CG 4.3Å; L629-Q671 HydrophobicContact CD2-CB 4.28Å; L629-Q671 HydrophobicContact CD2-CG 4.14Å; E667-Q671 WeakPolarHBondContact O-CB 3.48Å; E667-Q671 PolarHBondContact O-N 3.1Å; E667-Q671 VanDerWaalsContact O-N 3.1Å; V668-Q671 PolarHBondContact O-N 3.24Å; A669-Q671 PolarHBondContact O-N 3.14Å; Q671-D674 PolarHBondContact O-N 3.36Å; Q671-A675 VanDerWaalsContact O-CB 3.28Å; Q671-A675 WeakPolarHBondContact O-CB 3.48Å; Q671-A675 PolarHBondContact O-N 2.95Å
672	A	98.7	Very high	98.3	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-62.6	-42.6	178	0	0	0	0	0	111.9	L629 V668 A669 Q670 D676 V677 V680 L700 I708	L629-A672 HydrophobicContact CD2-CB 3.87Å; V668-A672 WeakPolarHBondContact O-CB 3.38Å; V668-A672 PolarHBondContact O-N 2.67Å; A669-A672 WeakPolarHBondContact O-CB 3.48Å; A669-A672 PolarHBondContact O-N 2.96Å; Q670-A672 VanDerWaalsContact C-N 3.32Å; Q670-A672 PolarHBondContact O-N 2.99Å; A672-D676 PolarHBondContact O-N 3.39Å; A672-D676 VanDerWaalsContact O-N 3.11Å; A672-V677 HydrophobicContact CB-CG2 3.76Å; A672-V677 PolarHBondContact O-N 3.39Å; A672-V677 VanDerWaalsContact O-N 3.11Å; A672-V680 HydrophobicContact CB-CG2 3.46Å; A672-V680 VanDerWaalsContact CB-CG2 3.46Å; A672-L700 HydrophobicContact CB-CD2 4.21Å; A672-I708 HydrophobicContact CB-CD1 4.44Å
673	V	98.6	Very high	98.3	Very high	32 Å²	32	29.8 Å²	29.8	19%	0.194	16%	0.16	C	C	.	.	H	α-helix	trans	-68.5	-45.9	177.4	174.4	0	0	0	0	111.3	A669 Q670 A675 D676 L700 L703 R705 I708	A669-V673 WeakPolarHBondContact O-CG2 3.46Å; A669-V673 PolarHBondContact O-N 3.34Å; Q670-V673 PolarHBondContact O-N 2.89Å; V673-A675 VanDerWaalsContact C-N 3.3Å; V673-A675 PolarHBondContact O-N 2.73Å; V673-D676 PolarHBondContact O-N 2.93Å; V673-L700 HydrophobicContact CG2-CD2 4.28Å; V673-L703 HydrophobicContact CG2-CB 4.05Å; V673-L703 HydrophobicContact CG2-CD1 4.14Å; V673-R705 HydrophobicContact CB-CG 4.46Å; V673-R705 HydrophobicContact CG1-CG 4.04Å; V673-R705 HydrophobicContact CG2-CB 3.83Å; V673-R705 HydrophobicContact CG2-CG 3.73Å; V673-I708 HydrophobicContact CG2-CD1 4.19Å
674	D	98.4	Very high	98.2	Very high	118 Å²	118	29.3 Å²	29.3	63%	0.631	16%	0.158	S	C	*	.	H	α-helix	trans	-63.1	-37.3	-179.4	-68.8	-11.9	0	0	0	112.1	Q670 Q671 D676	Q670-D674 PolarHBondContact NE2-OD1 3.5Å; Q670-D674 WeakPolarHBondContact O-CB 3.23Å; Q670-D674 PolarHBondContact O-N 2.91Å; Q671-D674 PolarHBondContact O-N 3.36Å; D674-D676 VanDerWaalsContact C-N 3.29Å
675	A	98.2	Very high	97.9	Very high	16 Å²	16	30.2 Å²	30.2	13%	0.132	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-6.3	176	0	0	0	0	0	113.4	R627 Q671 V673 V677	R627-A675 PolarHBondContact NE-O 3.42Å; R627-A675 PolarHBondContact NH1-O 3.25Å; Q671-A675 VanDerWaalsContact O-CB 3.28Å; Q671-A675 WeakPolarHBondContact O-CB 3.48Å; Q671-A675 PolarHBondContact O-N 2.95Å; V673-A675 VanDerWaalsContact C-N 3.3Å; V673-A675 PolarHBondContact O-N 2.73Å; A675-V677 VanDerWaalsContact C-N 3.32Å; A675-V677 HydrophobicContact CB-CG1 3.79Å; A675-V677 PolarHBondContact O-N 2.67Å
676	D	98.2	Very high	97.4	Very high	64 Å²	64	30.3 Å²	30.3	34%	0.342	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.5	51.7	-175.7	-175.9	43.9	0	0	0	112.3	R624 A672 V673 D674 R705	R624-D676 IonicContact CZ-OD2 3.62Å; R624-D676 PolarHBondContact NH1-O 2.87Å; R624-D676 IonicContact NH1-OD2 3.21Å; R624-D676 PolarHBondContact NH1-OD2 3.39Å; R624-D676 PolarHBondContact NH2-O 3.39Å; R624-D676 IonicContact NH2-OD2 2.77Å; A672-D676 PolarHBondContact O-N 3.39Å; A672-D676 VanDerWaalsContact O-N 3.11Å; V673-D676 PolarHBondContact O-N 2.93Å; D674-D676 VanDerWaalsContact C-N 3.29Å; D676-R705 IonicContact OD1-CZ 3.88Å; D676-R705 IonicContact OD1-NH1 3.92Å; D676-R705 PolarHBondContact OD1-NH1 3.03Å; D676-R705 IonicContact OD1-NH2 3.53Å; D676-R705 PolarHBondContact OD1-NH2 3.39Å
677	V	98.7	Very high	96.9	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.158	C	C	.	.			trans	-74.7	153.4	-179.1	-54.6	0	0	0	0	111.3	R627 L629 A672 A675 C679 V680 I708	R627-V677 HydrophobicContact CG-CB 4.43Å; R627-V677 HydrophobicContact CG-CG1 4.06Å; L629-V677 HydrophobicContact CB-CB 4.47Å; L629-V677 HydrophobicContact CB-CG1 3.97Å; L629-V677 HydrophobicContact CB-CG2 4.17Å; A672-V677 HydrophobicContact CB-CG2 3.76Å; A672-V677 PolarHBondContact O-N 3.39Å; A672-V677 VanDerWaalsContact O-N 3.11Å; A675-V677 VanDerWaalsContact C-N 3.32Å; A675-V677 HydrophobicContact CB-CG1 3.79Å; A675-V677 PolarHBondContact O-N 2.67Å; V677-C679 WeakPolarHBondContact CG2-O 3.4Å; V677-V680 HydrophobicContact CG2-CG2 4.05Å; V677-I708 HydrophobicContact CG2-CG2 4.05Å
678	H	98.6	Very high	96.4	Very high	23 Å²	23	25.1 Å²	25.1	11%	0.106	14%	0.144	C	C	.	.	S	Bend	trans	-80.7	-30.6	172.5	-54.9	91.2	0	0	0	111.2	F618 R624 N625 R627 L709 I750	F618-H678 AromaticContact CZ-NE2 3.9Å; R624-H678 VanDerWaalsContact CZ-CE1 3.41Å; R624-H678 PolarHBondContact NE-CE1 2.94Å; R624-H678 PolarHBondContact NE-NE2 2.88Å; R624-H678 PolarHBondContact NH2-CE1 3.2Å; R624-H678 PolarHBondContact NH2-ND1 2.8Å; R624-H678 PolarHBondContact NH2-NE2 3.1Å; N625-H678 PolarHBondContact O-CE1 2.81Å; R627-H678 WeakPolarHBondContact CB-ND1 3.16Å; R627-H678 PolarHBondContact N-ND1 3.03Å; R627-H678 PolarHBondContact O-N 3Å; H678-L709 PolarHBondContact O-N 3.2Å; H678-L709 VanDerWaalsContact O-N 3.14Å; H678-I750 HydrophobicContact CB-CD1 3.89Å; H678-I750 HydrophobicContact CB-CG1 4.14Å; H678-I750 HydrophobicContact CB-CG2 3.88Å
679	C	98.1	Very high	96.2	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.007	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	143	-175.6	-176.2	0	0	0	0	111.3	R627 L628 L629 V677 L709 I750	R627-C679 PolarHBondContact O-N 2.87Å; L628-C679 WeakPolarHBondContact CA-O 3.28Å; L628-C679 HydrophobicContact CD1-CB 4.03Å; L629-C679 PolarHBondContact N-O 3.06Å; V677-C679 WeakPolarHBondContact CG2-O 3.4Å; C679-L709 CarbonylContact C-O 3.59Å; C679-L709 VanDerWaalsContact CA-O 3.27Å; C679-L709 WeakPolarHBondContact CA-O 3.5Å; C679-L709 HydrophobicContact CB-CB 4.23Å; C679-L709 PolarHBondContact SG-O 2.97Å; C679-L709 VanDerWaalsContact SG-O 3.42Å; C679-I750 HydrophobicContact CB-CD1 4.27Å; C679-I750 HydrophobicContact CB-CG1 4.45Å
680	V	98.8	Very high	95.9	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	119.2	164.7	-176.4	0	0	0	0	108.6	L629 A631 V668 A672 V677 V682 L696 I708 L709 V710 I711	L629-V680 HydrophobicContact CB-CG2 4.44Å; L629-V680 HydrophobicContact CD2-CG1 4.43Å; L629-V680 HydrophobicContact CD2-CG2 4.37Å; L629-V680 CarbonylContact O-C 3.45Å; L629-V680 WeakPolarHBondContact O-CA 3.38Å; A631-V680 HydrophobicContact CB-CG1 3.98Å; V668-V680 HydrophobicContact CG1-CG1 3.9Å; A672-V680 HydrophobicContact CB-CG2 3.46Å; A672-V680 VanDerWaalsContact CB-CG2 3.46Å; V677-V680 HydrophobicContact CG2-CG2 4.05Å; V680-V682 HydrophobicContact CG1-CG2 4.2Å; V680-L696 HydrophobicContact CG1-CD2 4.01Å; V680-I708 HydrophobicContact CG2-CG2 3.87Å; V680-L709 PolarHBondContact N-O 3.02Å; V680-V710 WeakPolarHBondContact O-CA 3.42Å; V680-I711 PolarHBondContact O-N 3.04Å
681	G	98.4	Very high	95.6	Very high	10 Å²	10	28.2 Å²	28.2	10%	0.103	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	102.1	171	0	0	0	0	0	111.6	L629 V630 A631 S683 I711	L629-G681 PolarHBondContact O-N 3.02Å; V630-G681 WeakPolarHBondContact CA-O 3.49Å; A631-G681 PolarHBondContact N-O 3.03Å; G681-S683 PolarHBondContact O-N 3.36Å; G681-I711 VanDerWaalsContact CA-CG1 3.46Å
682	V	98.3	Very high	95.4	Very high	4 Å²	4	26.4 Å²	26.4	2%	0.024	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	116.2	177.2	-179.6	0	0	0	0	109.5	M633 V680 V693 L696 V710 I711 C712 G713	M633-V682 HydrophobicContact CE-CB 4.31Å; M633-V682 HydrophobicContact CE-CG1 3.55Å; M633-V682 HydrophobicContact CE-CG2 3.73Å; V680-V682 HydrophobicContact CG1-CG2 4.2Å; V682-V693 HydrophobicContact CG1-CG2 4.11Å; V682-L696 HydrophobicContact CG2-CD2 3.5Å; V682-V710 HydrophobicContact CG2-CG1 4.14Å; V682-I711 PolarHBondContact N-O 3.25Å; V682-C712 CarbonylContact O-C 3.58Å; V682-C712 WeakPolarHBondContact O-CA 3.46Å; V682-G713 PolarHBondContact O-N 3.42Å
683	S	97.7	Very high	95.4	Very high	15 Å²	15	26.4 Å²	26.4	11%	0.105	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	113.8	171.1	-178.4	0	0	0	0	109.9	A631 K632 G681 G713	A631-S683 PolarHBondContact O-N 3.34Å; K632-S683 WeakPolarHBondContact CD-O 3.4Å; K632-S683 VanDerWaalsContact CE-O 3.3Å; K632-S683 WeakPolarHBondContact CE-O 3.32Å; K632-S683 PolarHBondContact NZ-O 2.73Å; G681-S683 PolarHBondContact O-N 3.36Å; S683-G713 CarbonylContact C-O 3.54Å; S683-G713 WeakPolarHBondContact CA-O 3.22Å
684	T	94.4	Very high	95.3	Very high	11 Å²	11	26.6 Å²	26.6	7%	0.067	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	122.1	-174.2	-173.6	0	0	0	0	111.6	H689 G713 G714 V715 I716	T684-H689 HydrophobicContact CG2-CB 3.8Å; T684-G713 PolarHBondContact N-O 2.79Å; T684-G714 CarbonylContact O-C 3.52Å; T684-G714 WeakPolarHBondContact O-CA 3.35Å; T684-V715 PolarHBondContact O-N 2.9Å; T684-I716 HydrophobicContact CG2-CD1 3.8Å; T684-I716 HydrophobicContact CG2-CG1 3.79Å
685	L	92	Very high	95.3	Very high	55 Å²	55	24.4 Å²	24.4	29%	0.288	14%	0.14	S	C	.	.			trans	-131.5	6.1	-177.6	-68.9	89.4	0	0	0	112.2	D636 H638 V715	D636-L685 PolarHBondContact OD2-N 3.39Å; H638-L685 HydrophobicContact CB-CB 3.93Å; H638-L685 HydrophobicContact CB-CD1 4.17Å; H638-L685 HydrophobicContact CB-CD2 3.97Å; H638-L685 HydrophobicContact CB-CG 4.25Å; L685-V715 HydrophobicContact CD2-CG2 4.37Å; L685-V715 HydrophobicContact CG-CG2 4.36Å
686	A	87.1	Confident	95.3	Very high	11 Å²	11	23.6 Å²	23.6	9%	0.091	13%	0.134	C	C	.	.	S	Bend	trans	-117.8	20.4	-177.7	0	0	0	0	0	113.3	L151 D636 G688	L151-A686 HydrophobicContact CD1-CB 3.56Å; D636-A686 HydrophobicContact CB-CB 3.76Å; A686-G688 PolarHBondContact O-N 3.39Å
687	A	87.2	Confident	95.3	Very high	41 Å²	41	21.1 Å²	21.1	34%	0.339	12%	0.12	S	C	.	.	S	Bend	trans	61.1	11.5	176.5	0	0	0	0	0	116.8	M170 H689	M170-A687 HydrophobicContact CE-CB 3.4Å; M170-A687 VanDerWaalsContact CE-CB 3.4Å; M170-A687 WeakPolarHBondContact CE-O 3.21Å; A687-H689 PolarHBondContact O-N 2.93Å
688	G	88.6	Confident	95.3	Very high	2 Å²	2	26.7 Å²	26.7	2%	0.021	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	0.4	175.5	0	0	0	0	0	115	A686 K690 T691 L692	A686-G688 PolarHBondContact O-N 3.39Å; G688-K690 VanDerWaalsContact C-N 3.32Å; G688-K690 PolarHBondContact O-N 3.07Å; G688-T691 PolarHBondContact O-N 2.91Å; G688-T691 VanDerWaalsContact O-N 3.12Å; G688-L692 WeakPolarHBondContact O-CG 3.44Å; G688-L692 PolarHBondContact O-N 2.9Å
689	H	93.7	Very high	95.3	Very high	4 Å²	4	27.6 Å²	27.6	2%	0.019	15%	0.149	C	C	.	.	H	α-helix	trans	-61.6	-34	-170.5	53.5	-80.3	0	0	0	114.1	T684 A687 T691 V693 P694 D720 L724	T684-H689 HydrophobicContact CG2-CB 3.8Å; A687-H689 PolarHBondContact O-N 2.93Å; H689-T691 PolarHBondContact O-N 3.38Å; H689-V693 HydrophobicContact CB-CG2 4.28Å; H689-V693 WeakPolarHBondContact O-CB 3.44Å; H689-V693 PolarHBondContact O-N 3.24Å; H689-P694 WeakPolarHBondContact O-CD 3.34Å; H689-D720 IonicContact CD2-OD2 3.63Å; H689-D720 IonicContact CE1-OD2 2.66Å; H689-D720 IonicContact NE2-OD2 3.73Å; H689-D720 PolarHBondContact NE2-OD2 3.25Å; H689-L724 HydrophobicContact CB-CD2 4.45Å
690	K	92.4	Very high	95.3	Very high	95 Å²	95	27.7 Å²	27.7	41%	0.413	15%	0.149	S	C	.	.	H	α-helix	trans	-69.5	-16	179.9	-59.8	-174.1	78.8	151.5	0	113.9	G688 D720 F723	G688-K690 VanDerWaalsContact C-N 3.32Å; G688-K690 PolarHBondContact O-N 3.07Å; K690-D720 WeakPolarHBondContact CD-OD1 3.35Å; K690-D720 WeakPolarHBondContact CE-OD1 3.27Å; K690-D720 IonicContact NZ-OD1 2.82Å; K690-D720 PolarHBondContact NZ-OD1 2.96Å; K690-F723 HydrophobicContact CB-CD1 4.46Å; K690-F723 HydrophobicContact CB-CE1 3.93Å; K690-F723 HydrophobicContact CB-CZ 4.46Å; K690-F723 HydrophobicContact CG-CD1 4.23Å; K690-F723 HydrophobicContact CG-CE1 4.21Å
691	T	92.3	Very high	95.2	Very high	43 Å²	43	34.2 Å²	34.2	26%	0.264	17%	0.174	S	C	.	.	H	α-helix	trans	-107	-53.9	-179.7	-51	0	0	0	0	110.5	H165 G688 H689 P694 E695	H165-T691 VanDerWaalsContact NE2-CG2 3.27Å; H165-T691 WeakPolarHBondContact NE2-CG2 3.27Å; G688-T691 PolarHBondContact O-N 2.91Å; G688-T691 VanDerWaalsContact O-N 3.12Å; H689-T691 PolarHBondContact O-N 3.38Å; T691-P694 WeakPolarHBondContact O-CD 3.47Å; T691-E695 WeakPolarHBondContact O-CG 3.35Å; T691-E695 PolarHBondContact O-N 2.99Å
692	L	95.8	Very high	95.2	Very high	9 Å²	9	38 Å²	38	5%	0.047	19%	0.191	C	C	.	.	H	α-helix	trans	-75.2	-33.2	-169	-59	172.9	0	0	0	113.3	M633 P665 G688 L696	M633-L692 HydrophobicContact CB-CB 4.29Å; M633-L692 HydrophobicContact CB-CD1 4.04Å; M633-L692 HydrophobicContact CE-CB 4.03Å; M633-L692 HydrophobicContact SD-CB 4.49Å; P665-L692 HydrophobicContact CG-CB 4.28Å; P665-L692 HydrophobicContact CG-CD2 3.97Å; G688-L692 WeakPolarHBondContact O-CG 3.44Å; G688-L692 PolarHBondContact O-N 2.9Å; L692-L696 PolarHBondContact O-N 2.59Å
693	V	97.8	Very high	95.2	Very high	1 Å²	1	40 Å²	40	1%	0.006	20%	0.202	C	C	.	.	H	α-helix	trans	-72.1	-47.2	-178.6	175.6	0	0	0	0	112	M633 V682 H689 E695 L696 I697 V710 L724 V729	M633-V693 HydrophobicContact CE-CG2 4.13Å; V682-V693 HydrophobicContact CG1-CG2 4.11Å; H689-V693 HydrophobicContact CB-CG2 4.28Å; H689-V693 WeakPolarHBondContact O-CB 3.44Å; H689-V693 PolarHBondContact O-N 3.24Å; V693-E695 VanDerWaalsContact C-N 3.25Å; V693-E695 PolarHBondContact O-N 2.88Å; V693-L696 WeakPolarHBondContact O-CB 3.46Å; V693-L696 PolarHBondContact O-N 3.32Å; V693-I697 HydrophobicContact CG1-CD1 4.06Å; V693-I697 WeakPolarHBondContact O-CG1 3.46Å; V693-I697 PolarHBondContact O-N 3.09Å; V693-I697 VanDerWaalsContact O-N 3.1Å; V693-V710 HydrophobicContact CG1-CG1 4.24Å; V693-L724 HydrophobicContact CB-CD2 4.2Å; V693-L724 HydrophobicContact CG1-CD2 4.24Å; V693-V729 HydrophobicContact CG1-CG2 3.47Å; V693-V729 VanDerWaalsContact CG1-CG2 3.47Å
694	P	97.3	Very high	95.2	Very high	35 Å²	35	45.8 Å²	45.8	23%	0.227	23%	0.232	C	C	.	.	H	α-helix	trans	-57.6	-37.7	172.5	-26.6	35.5	0	0	0	113.2	H689 T691 I697 K698 F723	H689-P694 WeakPolarHBondContact O-CD 3.34Å; T691-P694 WeakPolarHBondContact O-CD 3.47Å; P694-I697 PolarHBondContact O-N 3.37Å; P694-K698 WeakPolarHBondContact O-CB 3.34Å; P694-K698 PolarHBondContact O-N 3.24Å; P694-F723 HydrophobicContact CG-CE1 3.97Å; P694-F723 HydrophobicContact CG-CZ 4.08Å
695	E	97.1	Very high	95.4	Very high	72 Å²	72	47.8 Å²	47.8	34%	0.336	24%	0.238	S	C	.	.	H	α-helix	trans	-64.2	-43.9	174.9	-75.2	-172.2	173.7	0	0	112.2	H165 P665 T691 V693 I697 K698 E699	H165-E695 IonicContact CE1-OE1 3.6Å; H165-E695 IonicContact CE1-OE2 2.72Å; H165-E695 PolarHBondContact CE1-OE2 2.74Å; H165-E695 IonicContact NE2-OE1 2.7Å; H165-E695 PolarHBondContact NE2-OE1 2.8Å; H165-E695 IonicContact NE2-OE2 2.68Å; P665-E695 HydrophobicContact CB-CB 3.84Å; P665-E695 HydrophobicContact CG-CB 3.85Å; T691-E695 WeakPolarHBondContact O-CG 3.35Å; T691-E695 PolarHBondContact O-N 2.99Å; V693-E695 VanDerWaalsContact C-N 3.25Å; V693-E695 PolarHBondContact O-N 2.88Å; E695-I697 VanDerWaalsContact C-N 3.33Å; E695-I697 PolarHBondContact O-N 3.38Å; E695-K698 WeakPolarHBondContact O-CB 3.32Å; E695-K698 PolarHBondContact O-N 3.14Å; E695-E699 WeakPolarHBondContact O-CG 3.25Å; E695-E699 PolarHBondContact O-N 3.16Å
696	L	98.5	Very high	95.6	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-57.3	-47.7	176.1	171.1	63.1	0	0	0	111.4	M633 P665 V668 A669 V680 V682 L692 V693 K698 E699 L700 V710	M633-L696 HydrophobicContact CE-CB 4.08Å; M633-L696 HydrophobicContact CE-CD2 3.91Å; M633-L696 HydrophobicContact SD-CB 3.9Å; M633-L696 HydrophobicContact SD-CD2 4.05Å; M633-L696 HydrophobicContact SD-CG 4.37Å; P665-L696 HydrophobicContact CB-CB 4.12Å; P665-L696 WeakPolarHBondContact O-CD1 3.4Å; V668-L696 HydrophobicContact CB-CD1 4.04Å; V668-L696 HydrophobicContact CG1-CD1 3.74Å; V668-L696 HydrophobicContact CG1-CD2 4.34Å; A669-L696 HydrophobicContact CB-CD1 3.98Å; V680-L696 HydrophobicContact CG1-CD2 4.01Å; V682-L696 HydrophobicContact CG2-CD2 3.5Å; L692-L696 PolarHBondContact O-N 2.59Å; V693-L696 WeakPolarHBondContact O-CB 3.46Å; V693-L696 PolarHBondContact O-N 3.32Å; L696-K698 VanDerWaalsContact C-N 3.28Å; L696-K698 PolarHBondContact O-N 2.9Å; L696-E699 PolarHBondContact O-N 3.36Å; L696-L700 HydrophobicContact CD1-CD1 4.3Å; L696-L700 HydrophobicContact CD1-CG 4.28Å; L696-L700 HydrophobicContact CG-CD1 4.25Å; L696-L700 WeakPolarHBondContact O-CG 3.46Å; L696-L700 PolarHBondContact O-N 3.46Å; L696-V710 HydrophobicContact CD2-CG1 4.18Å; L696-V710 HydrophobicContact CD2-CG2 4.33Å
697	I	98.4	Very high	96	Very high	12 Å²	12	51.7 Å²	51.7	6%	0.062	26%	0.263	C	S	.	.	H	α-helix	trans	-62.7	-39.3	179.9	-66.6	167.7	0	0	0	110.5	V693 P694 E695 R701 V710 S727 V729	V693-I697 HydrophobicContact CG1-CD1 4.06Å; V693-I697 WeakPolarHBondContact O-CG1 3.46Å; V693-I697 PolarHBondContact O-N 3.09Å; V693-I697 VanDerWaalsContact O-N 3.1Å; P694-I697 PolarHBondContact O-N 3.37Å; E695-I697 VanDerWaalsContact C-N 3.33Å; E695-I697 PolarHBondContact O-N 3.38Å; I697-R701 VanDerWaalsContact CG2-NH2 3.33Å; I697-R701 WeakPolarHBondContact O-CG 3.47Å; I697-R701 PolarHBondContact O-N 3.41Å; I697-V710 HydrophobicContact CD1-CB 4.44Å; I697-V710 HydrophobicContact CG1-CB 4.17Å; I697-V710 HydrophobicContact CG1-CG1 4.4Å; I697-V710 HydrophobicContact CG1-CG2 3.83Å; I697-S727 VanDerWaalsContact CD1-O 3.31Å; I697-S727 WeakPolarHBondContact CD1-O 3.48Å; I697-V729 HydrophobicContact CD1-CG2 4.18Å
698	K	98.3	Very high	96.6	Very high	116 Å²	116	50 Å²	50	50%	0.504	25%	0.248	S	C	.	.	H	α-helix	trans	-62.9	-45.4	174.1	-177.4	-170.6	174.1	-163.9	0	111.4	P694 E695 L696 R701 N702	P694-K698 WeakPolarHBondContact O-CB 3.34Å; P694-K698 PolarHBondContact O-N 3.24Å; E695-K698 WeakPolarHBondContact O-CB 3.32Å; E695-K698 PolarHBondContact O-N 3.14Å; L696-K698 VanDerWaalsContact C-N 3.28Å; L696-K698 PolarHBondContact O-N 2.9Å; K698-R701 WeakPolarHBondContact O-CB 3.37Å; K698-R701 PolarHBondContact O-N 3.28Å; K698-N702 VanDerWaalsContact O-CG 3.24Å; K698-N702 PolarHBondContact O-N 3.18Å; K698-N702 PolarHBondContact O-OD1 2.73Å
699	E	98.4	Very high	97	Very high	42 Å²	42	51.4 Å²	51.4	20%	0.196	26%	0.255	C	S	.	.	H	α-helix	trans	-67.9	-35.8	-180	-65	-49	144.6	0	0	112.7	L666 A669 E695 L696 R701 N702 L703	L666-E699 HydrophobicContact CB-CG 4.16Å; L666-E699 HydrophobicContact CD1-CB 4.3Å; L666-E699 HydrophobicContact CD1-CG 4.18Å; A669-E699 HydrophobicContact CB-CB 3.68Å; E695-E699 WeakPolarHBondContact O-CG 3.25Å; E695-E699 PolarHBondContact O-N 3.16Å; L696-E699 PolarHBondContact O-N 3.36Å; E699-R701 VanDerWaalsContact C-N 3.29Å; E699-R701 PolarHBondContact O-N 2.8Å; E699-N702 VanDerWaalsContact CD-ND2 3.34Å; E699-N702 WeakPolarHBondContact O-CB 3.28Å; E699-N702 PolarHBondContact O-N 3.27Å; E699-N702 VanDerWaalsContact O-N 3.15Å; E699-N702 PolarHBondContact OE1-ND2 3.09Å; E699-N702 PolarHBondContact OE2-ND2 3.03Å; E699-L703 WeakPolarHBondContact O-CB 3.41Å; E699-L703 WeakPolarHBondContact O-CG 3.49Å; E699-L703 PolarHBondContact O-N 3.31Å
700	L	98.6	Very high	97.2	Very high	3 Å²	3	51.4 Å²	51.4	2%	0.016	26%	0.255	C	S	.	.	H	α-helix	trans	-59.6	-39.6	170.8	-73.5	170.6	0	0	0	112.1	A669 A672 V673 L696 L703 N704 R705 I708 V710	A669-L700 HydrophobicContact CB-CD2 4.06Å; A669-L700 HydrophobicContact CB-CG 4.16Å; A672-L700 HydrophobicContact CB-CD2 4.21Å; V673-L700 HydrophobicContact CG2-CD2 4.28Å; L696-L700 HydrophobicContact CD1-CD1 4.3Å; L696-L700 HydrophobicContact CD1-CG 4.28Å; L696-L700 HydrophobicContact CG-CD1 4.25Å; L696-L700 WeakPolarHBondContact O-CG 3.46Å; L696-L700 PolarHBondContact O-N 3.46Å; L700-L703 PolarHBondContact O-N 2.86Å; L700-N704 PolarHBondContact O-N 3.08Å; L700-R705 CarbonylContact O-C 3.52Å; L700-R705 PolarHBondContact O-N 2.87Å; L700-I708 HydrophobicContact CD1-CB 4.47Å; L700-I708 HydrophobicContact CD1-CG2 4.33Å; L700-I708 HydrophobicContact CD2-CB 4.36Å; L700-I708 HydrophobicContact CD2-CD1 4.16Å; L700-I708 HydrophobicContact CD2-CG2 4.41Å; L700-V710 HydrophobicContact CD1-CG2 3.67Å
701	R	97.9	Very high	97.5	Very high	137 Å²	137	47.4 Å²	47.4	52%	0.517	24%	0.238	S	C	.	.	H	α-helix	trans	-65.9	-43.1	172.9	-67.7	173.2	-171.5	147.2	5.8	111.7	I697 K698 E699 L703 N704 P706	I697-R701 VanDerWaalsContact CG2-NH2 3.33Å; I697-R701 WeakPolarHBondContact O-CG 3.47Å; I697-R701 PolarHBondContact O-N 3.41Å; K698-R701 WeakPolarHBondContact O-CB 3.37Å; K698-R701 PolarHBondContact O-N 3.28Å; E699-R701 VanDerWaalsContact C-N 3.29Å; E699-R701 PolarHBondContact O-N 2.8Å; R701-L703 PolarHBondContact O-N 3.05Å; R701-N704 PolarHBondContact O-N 3.25Å; R701-P706 HydrophobicContact CG-CB 4.07Å
702	N	98.4	Very high	97.8	Very high	89 Å²	89	45.4 Å²	45.4	48%	0.476	23%	0.226	S	C	.	.	H	α-helix	trans	-61.5	-34.3	177.8	-65.1	-19	0	0	0	111.9	K698 E699 N704	K698-N702 VanDerWaalsContact O-CG 3.24Å; K698-N702 PolarHBondContact O-N 3.18Å; K698-N702 PolarHBondContact O-OD1 2.73Å; E699-N702 VanDerWaalsContact CD-ND2 3.34Å; E699-N702 WeakPolarHBondContact O-CB 3.28Å; E699-N702 PolarHBondContact O-N 3.27Å; E699-N702 VanDerWaalsContact O-N 3.15Å; E699-N702 PolarHBondContact OE1-ND2 3.09Å; E699-N702 PolarHBondContact OE2-ND2 3.03Å; N702-N704 PolarHBondContact O-N 3.26Å
703	L	98.3	Very high	97.8	Very high	48 Å²	48	45.6 Å²	45.6	25%	0.251	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	12.6	175.2	-64.1	176.6	0	0	0	113.5	A669 Q670 V673 E699 L700 R701 R705	A669-L703 HydrophobicContact CB-CD1 3.86Å; Q670-L703 HydrophobicContact CB-CD1 4.38Å; V673-L703 HydrophobicContact CG2-CB 4.05Å; V673-L703 HydrophobicContact CG2-CD1 4.14Å; E699-L703 WeakPolarHBondContact O-CB 3.41Å; E699-L703 WeakPolarHBondContact O-CG 3.49Å; E699-L703 PolarHBondContact O-N 3.31Å; L700-L703 PolarHBondContact O-N 2.86Å; R701-L703 PolarHBondContact O-N 3.05Å; L703-R705 VanDerWaalsContact C-N 3.27Å; L703-R705 PolarHBondContact O-N 2.74Å
704	N	97.6	Very high	97.6	Very high	135 Å²	135	46.4 Å²	46.4	72%	0.722	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.8	30.7	178.3	-56.2	-61.9	0	0	0	114.8	L700 R701 N702 P706	L700-N704 PolarHBondContact O-N 3.08Å; R701-N704 PolarHBondContact O-N 3.25Å; N702-N704 PolarHBondContact O-N 3.26Å; N704-P706 WeakPolarHBondContact O-CD 3.35Å
705	R	97.5	Very high	97.3	Very high	53 Å²	53	46.7 Å²	46.7	20%	0.2	24%	0.239	C	C	.	.			trans	-124.6	56.2	174.3	-69.9	-60.8	-55.2	-86.3	4.5	112.5	V673 D676 L700 L703 D707 I708	V673-R705 HydrophobicContact CB-CG 4.46Å; V673-R705 HydrophobicContact CG1-CG 4.04Å; V673-R705 HydrophobicContact CG2-CB 3.83Å; V673-R705 HydrophobicContact CG2-CG 3.73Å; D676-R705 IonicContact OD1-CZ 3.88Å; D676-R705 IonicContact OD1-NH1 3.92Å; D676-R705 PolarHBondContact OD1-NH1 3.03Å; D676-R705 IonicContact OD1-NH2 3.53Å; D676-R705 PolarHBondContact OD1-NH2 3.39Å; L700-R705 CarbonylContact O-C 3.52Å; L700-R705 PolarHBondContact O-N 2.87Å; L703-R705 VanDerWaalsContact C-N 3.27Å; L703-R705 PolarHBondContact O-N 2.74Å; R705-D707 VanDerWaalsContact C-OD1 3.27Å; R705-D707 VanDerWaalsContact CA-OD1 3.26Å; R705-D707 WeakPolarHBondContact CA-OD1 3.47Å; R705-D707 IonicContact CZ-OD1 2.8Å; R705-D707 IonicContact CZ-OD2 2.93Å; R705-D707 IonicContact NE-OD1 3.2Å; R705-D707 PolarHBondContact NE-OD1 3.46Å; R705-D707 IonicContact NE-OD2 2.73Å; R705-D707 PolarHBondContact NE-OD2 2.95Å; R705-D707 IonicContact NH2-OD1 2.67Å; R705-D707 IonicContact NH2-OD2 3.23Å; R705-D707 PolarHBondContact NH2-OD2 3.48Å; R705-D707 PolarHBondContact O-N 3.21Å; R705-I708 HydrophobicContact CB-CD1 3.76Å; R705-I708 HydrophobicContact CB-CG1 4.05Å; R705-I708 HydrophobicContact CG-CD1 4.29Å; R705-I708 PolarHBondContact O-N 3.3Å
706	P	96.3	Very high	97	Very high	93 Å²	93	43.5 Å²	43.5	60%	0.604	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68	-11.3	177.2	33.2	-38.2	0	0	0	113.3	R701 N704	R701-P706 HydrophobicContact CG-CB 4.07Å; N704-P706 WeakPolarHBondContact O-CD 3.35Å
707	D	96.1	Very high	96.5	Very high	55 Å²	55	44.2 Å²	44.2	29%	0.294	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-24	177.4	60.7	-64.2	0	0	0	113.4	R705 L709 I757	R705-D707 VanDerWaalsContact C-OD1 3.27Å; R705-D707 VanDerWaalsContact CA-OD1 3.26Å; R705-D707 WeakPolarHBondContact CA-OD1 3.47Å; R705-D707 IonicContact CZ-OD1 2.8Å; R705-D707 IonicContact CZ-OD2 2.93Å; R705-D707 IonicContact NE-OD1 3.2Å; R705-D707 PolarHBondContact NE-OD1 3.46Å; R705-D707 IonicContact NE-OD2 2.73Å; R705-D707 PolarHBondContact NE-OD2 2.95Å; R705-D707 IonicContact NH2-OD1 2.67Å; R705-D707 IonicContact NH2-OD2 3.23Å; R705-D707 PolarHBondContact NH2-OD2 3.48Å; R705-D707 PolarHBondContact O-N 3.21Å; D707-L709 PolarHBondContact O-N 3.41Å; D707-I757 HydrophobicContact CB-CD1 3.77Å
708	I	98.4	Very high	95.9	Very high	7 Å²	7	46.9 Å²	46.9	4%	0.036	25%	0.247	C	C	.	.	S	Bend	trans	-67.1	119.4	178.1	-63.5	180	0	0	0	108.9	A672 V673 V677 V680 L700 R705	A672-I708 HydrophobicContact CB-CD1 4.44Å; V673-I708 HydrophobicContact CG2-CD1 4.19Å; V677-I708 HydrophobicContact CG2-CG2 4.05Å; V680-I708 HydrophobicContact CG2-CG2 3.87Å; L700-I708 HydrophobicContact CD1-CB 4.47Å; L700-I708 HydrophobicContact CD1-CG2 4.33Å; L700-I708 HydrophobicContact CD2-CB 4.36Å; L700-I708 HydrophobicContact CD2-CD1 4.16Å; L700-I708 HydrophobicContact CD2-CG2 4.41Å; R705-I708 HydrophobicContact CB-CD1 3.76Å; R705-I708 HydrophobicContact CB-CG1 4.05Å; R705-I708 HydrophobicContact CG-CD1 4.29Å; R705-I708 PolarHBondContact O-N 3.3Å
709	L	98.3	Very high	95.4	Very high	30 Å²	30	46.4 Å²	46.4	16%	0.157	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	145.4	-178.7	-63	-178.3	0	0	0	111.5	H678 C679 V680 D707 N749 I750	H678-L709 PolarHBondContact O-N 3.2Å; H678-L709 VanDerWaalsContact O-N 3.14Å; C679-L709 CarbonylContact C-O 3.59Å; C679-L709 VanDerWaalsContact CA-O 3.27Å; C679-L709 WeakPolarHBondContact CA-O 3.5Å; C679-L709 HydrophobicContact CB-CB 4.23Å; C679-L709 PolarHBondContact SG-O 2.97Å; C679-L709 VanDerWaalsContact SG-O 3.42Å; V680-L709 PolarHBondContact N-O 3.02Å; D707-L709 PolarHBondContact O-N 3.41Å; L709-N749 HydrophobicContact CD1-CB 4.19Å; L709-N749 WeakPolarHBondContact CD1-O 3.35Å; L709-I750 HydrophobicContact CD1-CB 4.46Å; L709-I750 HydrophobicContact CD1-CG1 3.98Å
710	V	98.6	Very high	95.1	Very high	4 Å²	4	45.3 Å²	45.3	2%	0.024	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	120.7	172.1	-179.5	0	0	0	0	109.4	V680 V682 V693 L696 I697 L700 V729 C730	V680-V710 WeakPolarHBondContact O-CA 3.42Å; V682-V710 HydrophobicContact CG2-CG1 4.14Å; V693-V710 HydrophobicContact CG1-CG1 4.24Å; L696-V710 HydrophobicContact CD2-CG1 4.18Å; L696-V710 HydrophobicContact CD2-CG2 4.33Å; I697-V710 HydrophobicContact CD1-CB 4.44Å; I697-V710 HydrophobicContact CG1-CB 4.17Å; I697-V710 HydrophobicContact CG1-CG1 4.4Å; I697-V710 HydrophobicContact CG1-CG2 3.83Å; L700-V710 HydrophobicContact CD1-CG2 3.67Å; V710-V729 HydrophobicContact CG1-CG2 4.46Å; V710-V729 WeakPolarHBondContact O-CA 3.36Å; V710-C730 PolarHBondContact O-N 3.45Å; V710-C730 PolarHBondContact O-SG 3.5Å; V710-C730 VanDerWaalsContact O-SG 3.38Å
711	I	98	Very high	94.8	Very high	12 Å²	12	47.6 Å²	47.6	6%	0.062	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	150.6	168.1	64.4	-178.1	0	0	0	109.3	L628 V680 G681 V682 C730 C731 F733 V746	L628-I711 HydrophobicContact CD1-CD1 4.31Å; V680-I711 PolarHBondContact O-N 3.04Å; G681-I711 VanDerWaalsContact CA-CG1 3.46Å; V682-I711 PolarHBondContact N-O 3.25Å; I711-C730 WeakPolarHBondContact CG2-SG 3.49Å; I711-C731 WeakPolarHBondContact CA-O 3.44Å; I711-C731 HydrophobicContact CG2-CB 4.09Å; I711-F733 HydrophobicContact CB-CE2 4.31Å; I711-F733 HydrophobicContact CD1-CD2 4.37Å; I711-F733 HydrophobicContact CD1-CE2 3.99Å; I711-F733 HydrophobicContact CG2-CE2 4.4Å; I711-V746 HydrophobicContact CD1-CG2 3.68Å
712	C	98	Very high	94.7	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.007	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	147.9	175.4	-67.2	0	0	0	0	110.6	V682 I716 V729 C731 I732 F733	V682-C712 CarbonylContact O-C 3.58Å; V682-C712 WeakPolarHBondContact O-CA 3.46Å; C712-I716 HydrophobicContact CB-CD1 3.65Å; C712-V729 HydrophobicContact CB-CG1 4.22Å; C712-C731 PolarHBondContact N-O 3.28Å; C712-I732 CarbonylContact O-C 3.56Å; C712-I732 VanDerWaalsContact O-CA 3.29Å; C712-I732 WeakPolarHBondContact O-CA 3.45Å; C712-F733 PolarHBondContact O-N 3.17Å
713	G	95.9	Very high	94.6	Very high	13 Å²	13	46 Å²	46	13%	0.134	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	166.7	168.3	0	0	0	0	0	112.5	V682 S683 T684 F733	V682-G713 PolarHBondContact O-N 3.42Å; S683-G713 CarbonylContact C-O 3.54Å; S683-G713 WeakPolarHBondContact CA-O 3.22Å; T684-G713 PolarHBondContact N-O 2.79Å; G713-F733 WeakPolarHBondContact CA-O 3.33Å
714	G	93.4	Very high	94.5	Very high	18 Å²	18	43.7 Å²	43.7	19%	0.186	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	110.2	-156.7	-171.8	0	0	0	0	0	111.6	T684 I716 F733 P735	T684-G714 CarbonylContact O-C 3.52Å; T684-G714 WeakPolarHBondContact O-CA 3.35Å; G714-I716 PolarHBondContact O-N 3.29Å; G714-I716 VanDerWaalsContact O-N 3.08Å; G714-F733 PolarHBondContact N-O 3.4Å; G714-P735 WeakPolarHBondContact O-CD 3.41Å
715	V	91.1	Very high	94.5	Very high	40 Å²	40	41.9 Å²	41.9	24%	0.242	22%	0.217	C	C	.	.	S	Bend	trans	-82.4	91.5	-174.5	-177.8	0	0	0	0	109	A404 T684 L685	A404-V715 WeakPolarHBondContact O-CG1 3.43Å; T684-V715 PolarHBondContact O-N 2.9Å; L685-V715 HydrophobicContact CD2-CG2 4.37Å; L685-V715 HydrophobicContact CG-CG2 4.36Å
716	I	91.1	Very high	94.5	Very high	5 Å²	5	46 Å²	46	3%	0.026	24%	0.239	C	C	.	.			trans	-120.5	118.1	178.2	-59.1	170.1	0	0	0	106.8	T684 C712 G714 D720 Y721 L724 I732	T684-I716 HydrophobicContact CG2-CD1 3.8Å; T684-I716 HydrophobicContact CG2-CG1 3.79Å; C712-I716 HydrophobicContact CB-CD1 3.65Å; G714-I716 PolarHBondContact O-N 3.29Å; G714-I716 VanDerWaalsContact O-N 3.08Å; I716-D720 HydrophobicContact CG2-CB 4.32Å; I716-Y721 HydrophobicContact CB-CE1 3.97Å; I716-Y721 HydrophobicContact CG2-CD1 3.81Å; I716-Y721 HydrophobicContact CG2-CE1 3.62Å; I716-Y721 WeakPolarHBondContact O-CE1 3.47Å; I716-L724 HydrophobicContact CD1-CD1 4.17Å; I716-L724 HydrophobicContact CG2-CD1 3.72Å; I716-I732 HydrophobicContact CD1-CG2 3.93Å
717	P	87.3	Confident	94.5	Very high	16 Å²	16	42.8 Å²	42.8	10%	0.104	22%	0.219	C	C	.	.			trans	-63.4	138.3	177.9	-22.8	33.6	0	0	0	111.4	Q719 D720 Y721	P717-Q719 HydrophobicContact CB-CG 4.17Å; P717-Q719 PolarHBondContact O-N 3.4Å; P717-D720 PolarHBondContact O-N 3.44Å; P717-Y721 WeakPolarHBondContact O-CD1 3.3Å
718	P	86	Confident	94.5	Very high	67 Å²	67	42 Å²	42	44%	0.435	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-53.2	-32.6	-178.5	-30.8	36.4	0	0	0	114.6	D720 Y721	P718-D720 PolarHBondContact O-N 3.42Å; P718-Y721 WeakPolarHBondContact O-CB 3.4Å; P718-Y721 PolarHBondContact O-N 3.13Å
719	Q	87.9	Confident	94.4	Very high	106 Å²	106	42 Å²	42	50%	0.495	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-63.7	-19.1	176.7	63.1	-89.7	22.5	0	0	114.5	P717	P717-Q719 HydrophobicContact CB-CG 4.17Å; P717-Q719 PolarHBondContact O-N 3.4Å
720	D	91.4	Very high	94.3	Very high	20 Å²	20	42.4 Å²	42.4	11%	0.107	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-91.3	-5.5	178.6	-72	-28.5	0	0	0	113.1	H689 K690 I716 P717 P718 F723 L724	H689-D720 IonicContact CD2-OD2 3.63Å; H689-D720 IonicContact CE1-OD2 2.66Å; H689-D720 IonicContact NE2-OD2 3.73Å; H689-D720 PolarHBondContact NE2-OD2 3.25Å; K690-D720 WeakPolarHBondContact CD-OD1 3.35Å; K690-D720 WeakPolarHBondContact CE-OD1 3.27Å; K690-D720 IonicContact NZ-OD1 2.82Å; K690-D720 PolarHBondContact NZ-OD1 2.96Å; I716-D720 HydrophobicContact CG2-CB 4.32Å; P717-D720 PolarHBondContact O-N 3.44Å; P718-D720 PolarHBondContact O-N 3.42Å; D720-F723 PolarHBondContact O-N 2.95Å; D720-L724 WeakPolarHBondContact O-CG 3.32Å; D720-L724 PolarHBondContact O-N 3.24Å; D720-L724 VanDerWaalsContact O-N 3.15Å
721	Y	93.2	Very high	94.1	Very high	50 Å²	50	42.6 Å²	42.6	20%	0.196	23%	0.23	C	C	.	.	H	α-helix	trans	-64.5	-47.8	-172.8	-79.6	30.2	0	0	0	111.8	I716 P717 P718 F723 L724 Y725 I732	I716-Y721 HydrophobicContact CB-CE1 3.97Å; I716-Y721 HydrophobicContact CG2-CD1 3.81Å; I716-Y721 HydrophobicContact CG2-CE1 3.62Å; I716-Y721 WeakPolarHBondContact O-CE1 3.47Å; P717-Y721 WeakPolarHBondContact O-CD1 3.3Å; P718-Y721 WeakPolarHBondContact O-CB 3.4Å; P718-Y721 PolarHBondContact O-N 3.13Å; Y721-F723 VanDerWaalsContact C-N 3.27Å; Y721-F723 PolarHBondContact O-N 2.94Å; Y721-L724 PolarHBondContact O-N 3.01Å; Y721-Y725 WeakPolarHBondContact O-CD2 3.38Å; Y721-Y725 PolarHBondContact O-N 3.06Å; Y721-I732 HydrophobicContact CD1-CD1 3.91Å; Y721-I732 HydrophobicContact CD1-CG2 4.23Å; Y721-I732 HydrophobicContact CD2-CB 4.26Å; Y721-I732 HydrophobicContact CD2-CD1 3.87Å; Y721-I732 HydrophobicContact CD2-CG2 4.28Å; Y721-I732 HydrophobicContact CE1-CD1 4.47Å; Y721-I732 HydrophobicContact CE1-CG2 3.73Å; Y721-I732 HydrophobicContact CE2-CB 4.06Å; Y721-I732 HydrophobicContact CE2-CD1 4.45Å; Y721-I732 HydrophobicContact CE2-CG2 3.8Å; Y721-I732 HydrophobicContact CG-CD1 3.56Å; Y721-I732 HydrophobicContact CG-CG2 4.49Å; Y721-I732 VanDerWaalsContact CZ-CG2 3.49Å
722	E	95.5	Very high	94.1	Very high	116 Å²	116	42.8 Å²	42.8	54%	0.542	23%	0.231	S	C	.	.	H	α-helix	trans	-59.1	-40.3	179.7	-177	57.6	-152.3	0	0	111.7	L724 Y725 Q726	E722-L724 VanDerWaalsContact C-N 3.35Å; E722-L724 PolarHBondContact O-N 2.87Å; E722-Y725 PolarHBondContact O-N 3.35Å; E722-Q726 WeakPolarHBondContact O-CB 3.11Å; E722-Q726 VanDerWaalsContact O-CG 3.25Å; E722-Q726 WeakPolarHBondContact O-CG 3.4Å; E722-Q726 PolarHBondContact O-N 3.04Å; E722-Q726 PolarHBondContact OE1-NE2 2.84Å
723	F	95.8	Very high	94	Very high	77 Å²	77	44.1 Å²	44.1	34%	0.338	24%	0.237	S	C	.	.	H	α-helix	trans	-61.4	-42.5	175.3	170.7	-89.2	0	0	0	112	K690 P694 D720 Y721 Q726 S727	K690-F723 HydrophobicContact CB-CD1 4.46Å; K690-F723 HydrophobicContact CB-CE1 3.93Å; K690-F723 HydrophobicContact CB-CZ 4.46Å; K690-F723 HydrophobicContact CG-CD1 4.23Å; K690-F723 HydrophobicContact CG-CE1 4.21Å; P694-F723 HydrophobicContact CG-CE1 3.97Å; P694-F723 HydrophobicContact CG-CZ 4.08Å; D720-F723 PolarHBondContact O-N 2.95Å; Y721-F723 VanDerWaalsContact C-N 3.27Å; Y721-F723 PolarHBondContact O-N 2.94Å; F723-Q726 PolarHBondContact O-N 3.44Å; F723-S727 WeakPolarHBondContact O-CB 3.38Å; F723-S727 PolarHBondContact O-N 3.49Å; F723-S727 PolarHBondContact O-OG 3.12Å
724	L	97.3	Very high	93.7	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-68.3	-41.7	179.1	-71	176.5	0	0	0	111.8	H689 V693 I716 D720 Y721 E722 S727 G728 V729 I732	H689-L724 HydrophobicContact CB-CD2 4.45Å; V693-L724 HydrophobicContact CB-CD2 4.2Å; V693-L724 HydrophobicContact CG1-CD2 4.24Å; I716-L724 HydrophobicContact CD1-CD1 4.17Å; I716-L724 HydrophobicContact CG2-CD1 3.72Å; D720-L724 WeakPolarHBondContact O-CG 3.32Å; D720-L724 PolarHBondContact O-N 3.24Å; D720-L724 VanDerWaalsContact O-N 3.15Å; Y721-L724 PolarHBondContact O-N 3.01Å; E722-L724 VanDerWaalsContact C-N 3.35Å; E722-L724 PolarHBondContact O-N 2.87Å; L724-S727 WeakPolarHBondContact O-CB 3.43Å; L724-S727 PolarHBondContact O-N 3.19Å; L724-S727 VanDerWaalsContact O-N 3.15Å; L724-G728 PolarHBondContact O-N 3.25Å; L724-V729 HydrophobicContact CB-CB 4.26Å; L724-V729 HydrophobicContact CB-CG2 4.01Å; L724-V729 HydrophobicContact CD2-CG2 4.46Å; L724-V729 WeakPolarHBondContact O-CB 3.13Å; L724-V729 WeakPolarHBondContact O-CG2 3.33Å; L724-V729 PolarHBondContact O-N 3.36Å; L724-V729 VanDerWaalsContact O-N 3.07Å; L724-I732 HydrophobicContact CB-CD1 3.98Å; L724-I732 HydrophobicContact CD1-CD1 3.99Å
725	Y	97.6	Very high	93.6	Very high	96 Å²	96	45.1 Å²	45.1	38%	0.376	24%	0.24	S	C	.	.	H	α-helix	trans	-60.2	-46.6	173.9	-67.9	-53.3	0	0	0	111.6	Y721 E722 S727 G728 V729 I732	Y721-Y725 WeakPolarHBondContact O-CD2 3.38Å; Y721-Y725 PolarHBondContact O-N 3.06Å; E722-Y725 PolarHBondContact O-N 3.35Å; Y725-S727 PolarHBondContact O-N 3.43Å; Y725-G728 PolarHBondContact O-N 3.05Å; Y725-V729 WeakPolarHBondContact CD1-O 3.41Å; Y725-I732 HydrophobicContact CD2-CD1 4.48Å; Y725-I732 HydrophobicContact CE1-CD1 4.1Å; Y725-I732 HydrophobicContact CE1-CG1 4.07Å; Y725-I732 HydrophobicContact CE2-CD1 3.99Å
726	Q	97.2	Very high	93.6	Very high	140 Å²	140	45 Å²	45	65%	0.654	25%	0.246	S	C	*	.	H	α-helix	trans	-62	-29	175.9	-71.3	174.7	7.5	0	0	112.9	E722 F723 G728	E722-Q726 WeakPolarHBondContact O-CB 3.11Å; E722-Q726 VanDerWaalsContact O-CG 3.25Å; E722-Q726 WeakPolarHBondContact O-CG 3.4Å; E722-Q726 PolarHBondContact O-N 3.04Å; E722-Q726 PolarHBondContact OE1-NE2 2.84Å; F723-Q726 PolarHBondContact O-N 3.44Å; Q726-G728 VanDerWaalsContact C-N 3.28Å; Q726-G728 PolarHBondContact O-N 3.44Å
727	S	95.8	Very high	93.8	Very high	25 Å²	25	46.8 Å²	46.8	18%	0.175	26%	0.258	C	S	.	.	H	α-helix	trans	-74.4	-18.3	175.7	-60.3	0	0	0	0	113.1	I697 F723 L724 Y725	I697-S727 VanDerWaalsContact CD1-O 3.31Å; I697-S727 WeakPolarHBondContact CD1-O 3.48Å; F723-S727 WeakPolarHBondContact O-CB 3.38Å; F723-S727 PolarHBondContact O-N 3.49Å; F723-S727 PolarHBondContact O-OG 3.12Å; L724-S727 WeakPolarHBondContact O-CB 3.43Å; L724-S727 PolarHBondContact O-N 3.19Å; L724-S727 VanDerWaalsContact O-N 3.15Å; Y725-S727 PolarHBondContact O-N 3.43Å
728	G	95.9	Very high	94.2	Very high	39 Å²	39	48.4 Å²	48.4	40%	0.402	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	116	11.9	176.9	0	0	0	0	0	115.2	L724 Y725 Q726	L724-G728 PolarHBondContact O-N 3.25Å; Y725-G728 PolarHBondContact O-N 3.05Å; Q726-G728 VanDerWaalsContact C-N 3.28Å; Q726-G728 PolarHBondContact O-N 3.44Å
729	V	97.8	Very high	94.8	Very high	7 Å²	7	45.3 Å²	45.3	4%	0.042	24%	0.242	C	C	.	.			trans	-69.8	137.1	170.8	177.2	0	0	0	0	109.3	V693 I697 V710 C712 L724 Y725 C731 I732	V693-V729 HydrophobicContact CG1-CG2 3.47Å; V693-V729 VanDerWaalsContact CG1-CG2 3.47Å; I697-V729 HydrophobicContact CD1-CG2 4.18Å; V710-V729 HydrophobicContact CG1-CG2 4.46Å; V710-V729 WeakPolarHBondContact O-CA 3.36Å; C712-V729 HydrophobicContact CB-CG1 4.22Å; L724-V729 HydrophobicContact CB-CB 4.26Å; L724-V729 HydrophobicContact CB-CG2 4.01Å; L724-V729 HydrophobicContact CD2-CG2 4.46Å; L724-V729 WeakPolarHBondContact O-CB 3.13Å; L724-V729 WeakPolarHBondContact O-CG2 3.33Å; L724-V729 PolarHBondContact O-N 3.36Å; L724-V729 VanDerWaalsContact O-N 3.07Å; Y725-V729 WeakPolarHBondContact CD1-O 3.41Å; V729-C731 VanDerWaalsContact CG1-O 3.23Å; V729-C731 WeakPolarHBondContact CG1-O 3.49Å; V729-I732 HydrophobicContact CG1-CG1 4Å
730	C	95.5	Very high	95.2	Very high	39 Å²	39	40.3 Å²	40.3	26%	0.264	22%	0.218	S	C	.	.			trans	-93	-31.2	-179.6	63.6	0	0	0	0	113.9	V710 I711	V710-C730 PolarHBondContact O-N 3.45Å; V710-C730 PolarHBondContact O-SG 3.5Å; V710-C730 VanDerWaalsContact O-SG 3.38Å; I711-C730 WeakPolarHBondContact CG2-SG 3.49Å
731	C	95.2	Very high	95.5	Very high	7 Å²	7	44.1 Å²	44.1	5%	0.047	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	152.1	177	-172.5	0	0	0	0	111.6	I711 C712 V729 F733 E745	I711-C731 WeakPolarHBondContact CA-O 3.44Å; I711-C731 HydrophobicContact CG2-CB 4.09Å; C712-C731 PolarHBondContact N-O 3.28Å; V729-C731 VanDerWaalsContact CG1-O 3.23Å; V729-C731 WeakPolarHBondContact CG1-O 3.49Å; C731-F733 HydrophobicContact CB-CE2 4.11Å; C731-F733 HydrophobicContact CB-CZ 4.26Å; C731-F733 WeakPolarHBondContact SG-CZ 3.49Å; C731-E745 PolarHBondContact SG-OE1 3.26Å
732	I	96.6	Very high	95.7	Very high	16 Å²	16	41.9 Å²	41.9	8%	0.082	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	124.2	179.7	-57.1	171.7	0	0	0	109.3	C712 I716 Y721 L724 Y725 V729	C712-I732 CarbonylContact O-C 3.56Å; C712-I732 VanDerWaalsContact O-CA 3.29Å; C712-I732 WeakPolarHBondContact O-CA 3.45Å; I716-I732 HydrophobicContact CD1-CG2 3.93Å; Y721-I732 HydrophobicContact CD1-CD1 3.91Å; Y721-I732 HydrophobicContact CD1-CG2 4.23Å; Y721-I732 HydrophobicContact CD2-CB 4.26Å; Y721-I732 HydrophobicContact CD2-CD1 3.87Å; Y721-I732 HydrophobicContact CD2-CG2 4.28Å; Y721-I732 HydrophobicContact CE1-CD1 4.47Å; Y721-I732 HydrophobicContact CE1-CG2 3.73Å; Y721-I732 HydrophobicContact CE2-CB 4.06Å; Y721-I732 HydrophobicContact CE2-CD1 4.45Å; Y721-I732 HydrophobicContact CE2-CG2 3.8Å; Y721-I732 HydrophobicContact CG-CD1 3.56Å; Y721-I732 HydrophobicContact CG-CG2 4.49Å; Y721-I732 VanDerWaalsContact CZ-CG2 3.49Å; L724-I732 HydrophobicContact CB-CD1 3.98Å; L724-I732 HydrophobicContact CD1-CD1 3.99Å; Y725-I732 HydrophobicContact CD2-CD1 4.48Å; Y725-I732 HydrophobicContact CE1-CD1 4.1Å; Y725-I732 HydrophobicContact CE1-CG1 4.07Å; Y725-I732 HydrophobicContact CE2-CD1 3.99Å; V729-I732 HydrophobicContact CG1-CG1 4Å
733	F	95.9	Very high	95.7	Very high	30 Å²	30	36.3 Å²	36.3	13%	0.132	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	99	-178.9	-63.9	-72.3	0	0	0	111.2	I711 C712 G713 G714 C731 T737 A742 E745 V746	I711-F733 HydrophobicContact CB-CE2 4.31Å; I711-F733 HydrophobicContact CD1-CD2 4.37Å; I711-F733 HydrophobicContact CD1-CE2 3.99Å; I711-F733 HydrophobicContact CG2-CE2 4.4Å; C712-F733 PolarHBondContact O-N 3.17Å; G713-F733 WeakPolarHBondContact CA-O 3.33Å; G714-F733 PolarHBondContact N-O 3.4Å; C731-F733 HydrophobicContact CB-CE2 4.11Å; C731-F733 HydrophobicContact CB-CZ 4.26Å; C731-F733 WeakPolarHBondContact SG-CZ 3.49Å; F733-T737 HydrophobicContact CB-CG2 4.08Å; F733-T737 HydrophobicContact CD1-CG2 3.63Å; F733-T737 HydrophobicContact CE1-CG2 4.49Å; F733-T737 HydrophobicContact CG-CG2 4.2Å; F733-A742 HydrophobicContact CD1-CB 3.94Å; F733-A742 HydrophobicContact CE1-CB 3.68Å; F733-A742 HydrophobicContact CZ-CB 4.12Å; F733-E745 HydrophobicContact CE1-CB 4.5Å; F733-E745 HydrophobicContact CZ-CB 4.33Å; F733-E745 HydrophobicContact CZ-CG 4.27Å; F733-V746 HydrophobicContact CE2-CG2 3.91Å; F733-V746 HydrophobicContact CZ-CG2 3.99Å
734	G	90.5	Very high	95.8	Very high	13 Å²	13	34.3 Å²	34.3	13%	0.134	20%	0.195	C	C	.	.			trans	-79.2	175	179.2	0	0	0	0	0	114.4	G736 T737	G734-G736 PolarHBondContact O-N 2.94Å; G734-T737 PolarHBondContact N-OG1 2.93Å; G734-T737 WeakPolarHBondContact O-CB 3.43Å; G734-T737 PolarHBondContact O-N 3.41Å; G734-T737 PolarHBondContact O-OG1 2.71Å
735	P	90.6	Very high	95.8	Very high	39 Å²	39	37.7 Å²	37.7	25%	0.253	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-43.5	136.1	168.3	-29.6	31.1	0	0	0	113.6	E371 Q372 G714	E371-P735 HydrophobicContact CB-CB 4.02Å; E371-P735 HydrophobicContact CB-CG 4.23Å; E371-P735 WeakPolarHBondContact OE2-CD 3.4Å; E371-P735 WeakPolarHBondContact OE2-CG 3.47Å; Q372-P735 PolarHBondContact NE2-O 2.79Å; G714-P735 WeakPolarHBondContact O-CD 3.41Å
736	G	91	Very high	95.8	Very high	36 Å²	36	33.2 Å²	33.2	37%	0.371	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.6	-1.1	-179	0	0	0	0	0	115.4	G734 R738	G734-G736 PolarHBondContact O-N 2.94Å; G736-R738 PolarHBondContact O-N 3.47Å
737	T	95.1	Very high	95.8	Very high	43 Å²	43	26.5 Å²	26.5	26%	0.264	16%	0.162	S	C	.	.			trans	-58	131.6	170.6	-64.2	0	0	0	0	111.3	F733 G734 A742	F733-T737 HydrophobicContact CB-CG2 4.08Å; F733-T737 HydrophobicContact CD1-CG2 3.63Å; F733-T737 HydrophobicContact CE1-CG2 4.49Å; F733-T737 HydrophobicContact CG-CG2 4.2Å; G734-T737 PolarHBondContact N-OG1 2.93Å; G734-T737 WeakPolarHBondContact O-CB 3.43Å; G734-T737 PolarHBondContact O-N 3.41Å; G734-T737 PolarHBondContact O-OG1 2.71Å; T737-A742 HydrophobicContact CG2-CB 3.71Å
738	R	97.1	Very high	95.9	Very high	50 Å²	50	27.6 Å²	27.6	19%	0.189	17%	0.166	C	C	.	.			trans	-89.4	133	176.6	-62.6	172.5	73.1	-125.2	1.3	110.1	D491 E607 G736 Q741 A742	D491-R738 HydrophobicContact CB-CG 4.47Å; D491-R738 VanDerWaalsContact O-CZ 3.25Å; D491-R738 PolarHBondContact O-NE 2.84Å; D491-R738 PolarHBondContact O-NH2 3.18Å; E607-R738 VanDerWaalsContact CD-NH1 3.26Å; E607-R738 IonicContact OE1-CZ 2.73Å; E607-R738 IonicContact OE1-NH1 3.31Å; E607-R738 PolarHBondContact OE1-NH1 2.77Å; E607-R738 IonicContact OE1-NH2 3.24Å; E607-R738 IonicContact OE2-CZ 3.66Å; E607-R738 IonicContact OE2-NH1 3.75Å; E607-R738 PolarHBondContact OE2-NH1 2.67Å; E607-R738 IonicContact OE2-NH2 3.97Å; E607-R738 PolarHBondContact OE2-NH2 3.19Å; G736-R738 PolarHBondContact O-N 3.47Å; R738-Q741 HydrophobicContact CB-CB 4.39Å; R738-Q741 PolarHBondContact O-N 3.11Å; R738-A742 PolarHBondContact O-N 3.1Å
739	I	97.5	Very high	95.9	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.01	16%	0.156	C	C	.	.	H	α-helix	trans	-59.6	-46.6	-174.7	-58.4	-173.8	0	0	0	113.3	Q487 D491 Y598 V644 I645 F649 L652 Q741 A742 S743	Q487-I739 HydrophobicContact CG-CD1 4.15Å; Q487-I739 HydrophobicContact CG-CG1 4.47Å; D491-I739 PolarHBondContact OD2-N 3.02Å; D491-I739 VanDerWaalsContact OD2-N 3.1Å; Y598-I739 HydrophobicContact CD2-CD1 3.89Å; Y598-I739 HydrophobicContact CE1-CB 4.38Å; Y598-I739 HydrophobicContact CE1-CD1 4.45Å; Y598-I739 HydrophobicContact CE2-CB 4.42Å; Y598-I739 HydrophobicContact CE2-CD1 3.48Å; Y598-I739 VanDerWaalsContact CE2-CD1 3.48Å; Y598-I739 HydrophobicContact CE2-CG1 4.14Å; V644-I739 HydrophobicContact CG1-CD1 3.75Å; I645-I739 HydrophobicContact CD1-CG1 4.14Å; F649-I739 HydrophobicContact CD2-CG2 3.73Å; F649-I739 HydrophobicContact CE2-CG2 3.84Å; L652-I739 HydrophobicContact CD1-CG2 4.19Å; I739-Q741 VanDerWaalsContact C-N 3.34Å; I739-Q741 PolarHBondContact O-N 3.44Å; I739-A742 PolarHBondContact O-N 3.31Å; I739-S743 WeakPolarHBondContact O-CB 3.43Å; I739-S743 PolarHBondContact O-N 3.47Å
740	P	97.2	Very high	95.9	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.006	16%	0.155	C	C	.	.	H	α-helix	trans	-64.2	-41.7	-175.5	-23.4	37.1	0	0	0	111.4	Y598 F602 E607 I608 A611 S743 V744	Y598-P740 WeakPolarHBondContact OH-CD 3.06Å; F602-P740 HydrophobicContact CE2-CG 4.13Å; F602-P740 HydrophobicContact CZ-CG 4.36Å; E607-P740 HydrophobicContact CG-CB 3.74Å; I608-P740 HydrophobicContact CD1-CB 4.33Å; I608-P740 HydrophobicContact CD1-CG 3.59Å; A611-P740 HydrophobicContact CB-CB 4.27Å; P740-S743 PolarHBondContact O-N 3.03Å; P740-S743 PolarHBondContact O-OG 3.45Å; P740-V744 PolarHBondContact O-N 2.85Å
741	Q	96.4	Very high	95.9	Very high	101 Å²	101	27.4 Å²	27.4	47%	0.472	15%	0.152	S	C	.	.	H	α-helix	trans	-59.5	-51.5	173.9	-178.4	-176.9	-8.9	0	0	111.7	R738 I739 S743 V744 E745	R738-Q741 HydrophobicContact CB-CB 4.39Å; R738-Q741 PolarHBondContact O-N 3.11Å; I739-Q741 VanDerWaalsContact C-N 3.34Å; I739-Q741 PolarHBondContact O-N 3.44Å; Q741-S743 VanDerWaalsContact C-N 3.26Å; Q741-S743 PolarHBondContact O-N 3.33Å; Q741-V744 PolarHBondContact O-N 3.47Å; Q741-E745 PolarHBondContact O-N 2.88Å; Q741-E745 VanDerWaalsContact O-N 3.11Å
742	A	97.3	Very high	95.9	Very high	2 Å²	2	32.9 Å²	32.9	2%	0.017	18%	0.175	C	C	.	.	H	α-helix	trans	-59.7	-38.1	179.2	0	0	0	0	0	112	F649 F733 T737 R738 I739 V744 E745 V746	F649-A742 HydrophobicContact CE2-CB 4.46Å; F649-A742 HydrophobicContact CZ-CB 4.25Å; F733-A742 HydrophobicContact CD1-CB 3.94Å; F733-A742 HydrophobicContact CE1-CB 3.68Å; F733-A742 HydrophobicContact CZ-CB 4.12Å; T737-A742 HydrophobicContact CG2-CB 3.71Å; R738-A742 PolarHBondContact O-N 3.1Å; I739-A742 PolarHBondContact O-N 3.31Å; A742-V744 PolarHBondContact O-N 3.11Å; A742-E745 PolarHBondContact O-N 3.26Å; A742-V746 VanDerWaalsContact O-CG2 3.27Å; A742-V746 WeakPolarHBondContact O-CG2 3.34Å; A742-V746 PolarHBondContact O-N 3.21Å
743	S	97.3	Very high	95.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-62.7	-41	179.5	77.6	0	0	0	0	112.7	L652 I739 P740 Q741 V746 I747	L652-S743 WeakPolarHBondContact CD1-OG 3.42Å; I739-S743 WeakPolarHBondContact O-CB 3.43Å; I739-S743 PolarHBondContact O-N 3.47Å; P740-S743 PolarHBondContact O-N 3.03Å; P740-S743 PolarHBondContact O-OG 3.45Å; Q741-S743 VanDerWaalsContact C-N 3.26Å; Q741-S743 PolarHBondContact O-N 3.33Å; S743-V746 PolarHBondContact O-N 3.31Å; S743-I747 WeakPolarHBondContact O-CG1 3.48Å; S743-I747 PolarHBondContact O-N 3.21Å; S743-I747 VanDerWaalsContact O-N 3.14Å
744	V	97.4	Very high	95.7	Very high	34 Å²	34	33.8 Å²	33.8	21%	0.206	18%	0.183	C	C	.	.	H	α-helix	trans	-67.9	-43.4	177.3	174.7	0	0	0	0	110.5	A611 R614 P740 Q741 A742 V746 I747 D748	A611-V744 HydrophobicContact CB-CG2 3.98Å; R614-V744 HydrophobicContact CG-CG2 4.42Å; P740-V744 PolarHBondContact O-N 2.85Å; Q741-V744 PolarHBondContact O-N 3.47Å; A742-V744 PolarHBondContact O-N 3.11Å; V744-V746 VanDerWaalsContact C-N 3.33Å; V744-V746 PolarHBondContact O-N 2.85Å; V744-I747 PolarHBondContact O-N 3.47Å; V744-D748 PolarHBondContact O-N 3.12Å
745	E	97.1	Very high	95.8	Very high	71 Å²	71	36.6 Å²	36.6	33%	0.332	20%	0.195	S	C	.	.	H	α-helix	trans	-64	-37.6	178.5	-175.2	171.2	177	0	0	112.4	C731 F733 Q741 A742 D748 N749	C731-E745 PolarHBondContact SG-OE1 3.26Å; F733-E745 HydrophobicContact CE1-CB 4.5Å; F733-E745 HydrophobicContact CZ-CB 4.33Å; F733-E745 HydrophobicContact CZ-CG 4.27Å; Q741-E745 PolarHBondContact O-N 2.88Å; Q741-E745 VanDerWaalsContact O-N 3.11Å; A742-E745 PolarHBondContact O-N 3.26Å; E745-D748 PolarHBondContact O-N 3.49Å; E745-N749 PolarHBondContact O-N 3.18Å; E745-N749 VanDerWaalsContact O-N 3.07Å; E745-N749 PolarHBondContact O-ND2 3.25Å
746	V	97.6	Very high	95.8	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.012	21%	0.214	C	C	.	.	H	α-helix	trans	-63.5	-43.9	173.9	169.7	0	0	0	0	110.9	F649 F654 I711 F733 A742 S743 V744 N749 I750	F649-V746 HydrophobicContact CE1-CB 4.27Å; F649-V746 HydrophobicContact CE1-CG1 4.46Å; F649-V746 HydrophobicContact CE1-CG2 4.2Å; F649-V746 HydrophobicContact CZ-CG2 4.32Å; F654-V746 HydrophobicContact CE1-CG1 4.19Å; I711-V746 HydrophobicContact CD1-CG2 3.68Å; F733-V746 HydrophobicContact CE2-CG2 3.91Å; F733-V746 HydrophobicContact CZ-CG2 3.99Å; A742-V746 VanDerWaalsContact O-CG2 3.27Å; A742-V746 WeakPolarHBondContact O-CG2 3.34Å; A742-V746 PolarHBondContact O-N 3.21Å; S743-V746 PolarHBondContact O-N 3.31Å; V744-V746 VanDerWaalsContact C-N 3.33Å; V744-V746 PolarHBondContact O-N 2.85Å; V746-N749 PolarHBondContact O-N 3.37Å; V746-I750 HydrophobicContact CG1-CD1 3.82Å; V746-I750 VanDerWaalsContact O-CG1 3.3Å; V746-I750 WeakPolarHBondContact O-CG1 3.37Å; V746-I750 PolarHBondContact O-N 2.8Å
747	I	97.6	Very high	95.6	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-59.8	-48.6	175.7	-67.5	163.1	0	0	0	110.5	R614 V615 F618 F654 S743 V744 N749 I750 E751	R614-I747 HydrophobicContact CB-CD1 3.96Å; V615-I747 HydrophobicContact CG2-CD1 3.64Å; F618-I747 HydrophobicContact CB-CG2 4.4Å; F618-I747 HydrophobicContact CD2-CG2 4.05Å; F654-I747 HydrophobicContact CE1-CG1 4.31Å; F654-I747 HydrophobicContact CE2-CD1 4.04Å; F654-I747 HydrophobicContact CE2-CG1 4.33Å; F654-I747 HydrophobicContact CZ-CD1 3.83Å; F654-I747 HydrophobicContact CZ-CG1 3.62Å; S743-I747 WeakPolarHBondContact O-CG1 3.48Å; S743-I747 PolarHBondContact O-N 3.21Å; S743-I747 VanDerWaalsContact O-N 3.14Å; V744-I747 PolarHBondContact O-N 3.47Å; I747-N749 VanDerWaalsContact C-N 3.25Å; I747-N749 PolarHBondContact O-N 3.25Å; I747-I750 PolarHBondContact O-N 3.44Å; I747-I750 VanDerWaalsContact O-N 3.1Å; I747-E751 HydrophobicContact CG2-CG 4.16Å; I747-E751 WeakPolarHBondContact O-CG 3.29Å; I747-E751 PolarHBondContact O-N 3.32Å
748	D	97.2	Very high	95.3	Very high	47 Å²	47	46.9 Å²	46.9	25%	0.251	22%	0.221	S	C	.	.	H	α-helix	trans	-57	-40.2	179.8	-71.2	-15.9	0	0	0	112	R614 V744 E745 K752	R614-D748 IonicContact CZ-OD1 3.74Å; R614-D748 IonicContact NH1-OD1 3.46Å; R614-D748 PolarHBondContact NH1-OD1 3.07Å; R614-D748 IonicContact NH2-OD1 3.52Å; R614-D748 PolarHBondContact NH2-OD1 3.01Å; V744-D748 PolarHBondContact O-N 3.12Å; E745-D748 PolarHBondContact O-N 3.49Å; D748-K752 WeakPolarHBondContact O-CB 3.27Å; D748-K752 WeakPolarHBondContact O-CD 3.36Å; D748-K752 WeakPolarHBondContact O-CG 3.33Å; D748-K752 PolarHBondContact O-N 3.35Å
749	N	96.5	Very high	94.9	Very high	36 Å²	36	52.3 Å²	52.3	19%	0.193	25%	0.248	C	C	.	.	H	α-helix	trans	-69.4	-39.9	178.1	-80.5	-71.3	0	0	0	112.2	L709 E745 V746 I747 S753	L709-N749 HydrophobicContact CD1-CB 4.19Å; L709-N749 WeakPolarHBondContact CD1-O 3.35Å; E745-N749 PolarHBondContact O-N 3.18Å; E745-N749 VanDerWaalsContact O-N 3.07Å; E745-N749 PolarHBondContact O-ND2 3.25Å; V746-N749 PolarHBondContact O-N 3.37Å; I747-N749 VanDerWaalsContact C-N 3.25Å; I747-N749 PolarHBondContact O-N 3.25Å; N749-S753 WeakPolarHBondContact O-CB 3.48Å; N749-S753 PolarHBondContact O-N 2.85Å; N749-S753 VanDerWaalsContact O-N 3.08Å
750	I	97.1	Very high	94.1	Very high	4 Å²	4	56.5 Å²	56.5	2%	0.021	28%	0.283	C	S	.	.	H	α-helix	trans	-63.2	-50.3	175.3	-65	164.5	0	0	0	110.1	F618 H678 C679 L709 V746 I747 K752 S753 L754	F618-I750 HydrophobicContact CE2-CB 4.35Å; F618-I750 HydrophobicContact CE2-CG2 3.67Å; F618-I750 HydrophobicContact CZ-CG2 3.84Å; H678-I750 HydrophobicContact CB-CD1 3.89Å; H678-I750 HydrophobicContact CB-CG1 4.14Å; H678-I750 HydrophobicContact CB-CG2 3.88Å; C679-I750 HydrophobicContact CB-CD1 4.27Å; C679-I750 HydrophobicContact CB-CG1 4.45Å; L709-I750 HydrophobicContact CD1-CB 4.46Å; L709-I750 HydrophobicContact CD1-CG1 3.98Å; V746-I750 HydrophobicContact CG1-CD1 3.82Å; V746-I750 VanDerWaalsContact O-CG1 3.3Å; V746-I750 WeakPolarHBondContact O-CG1 3.37Å; V746-I750 PolarHBondContact O-N 2.8Å; I747-I750 PolarHBondContact O-N 3.44Å; I747-I750 VanDerWaalsContact O-N 3.1Å; I750-K752 PolarHBondContact O-N 3.08Å; I750-S753 WeakPolarHBondContact O-CB 3.16Å; I750-S753 PolarHBondContact O-N 2.9Å; I750-S753 VanDerWaalsContact O-N 3.09Å; I750-L754 HydrophobicContact CG2-CD1 3.83Å; I750-L754 HydrophobicContact CG2-CG 4.27Å; I750-L754 WeakPolarHBondContact O-CG 3.47Å; I750-L754 PolarHBondContact O-N 2.91Å
751	E	96.5	Very high	92.9	Very high	41 Å²	41	66.2 Å²	66.2	19%	0.192	33%	0.331	C	S	.	.	H	α-helix	trans	-58.3	-47.2	179.6	-71.2	178.3	155.7	0	0	111.4	R614 F618 I747 S753 L754 D755	R614-E751 IonicContact NH2-OE2 3.11Å; R614-E751 PolarHBondContact NH2-OE2 3.3Å; F618-E751 HydrophobicContact CD2-CG 3.78Å; F618-E751 HydrophobicContact CE2-CG 4.06Å; I747-E751 HydrophobicContact CG2-CG 4.16Å; I747-E751 WeakPolarHBondContact O-CG 3.29Å; I747-E751 PolarHBondContact O-N 3.32Å; E751-S753 VanDerWaalsContact C-N 3.26Å; E751-S753 PolarHBondContact O-N 3.13Å; E751-L754 PolarHBondContact O-N 3.28Å; E751-D755 WeakPolarHBondContact O-CB 3.48Å; E751-D755 PolarHBondContact O-N 3.37Å
752	K	95.3	Very high	92.7	Very high	123 Å²	123	64.5 Å²	64.5	54%	0.535	32%	0.324	S	S	.	.	H	α-helix	trans	-58.9	-36	175.5	-74.7	168.2	-171.2	166.5	0	113	D748 I750 K756	D748-K752 WeakPolarHBondContact O-CB 3.27Å; D748-K752 WeakPolarHBondContact O-CD 3.36Å; D748-K752 WeakPolarHBondContact O-CG 3.33Å; D748-K752 PolarHBondContact O-N 3.35Å; I750-K752 PolarHBondContact O-N 3.08Å; K752-K756 WeakPolarHBondContact O-CG 3.38Å; K752-K756 PolarHBondContact O-N 2.89Å
753	S	93.9	Very high	92.5	Very high	26 Å²	26	67.7 Å²	67.7	18%	0.182	34%	0.34	C	S	.	.	H	α-helix	trans	-70.3	-48	177.6	-168.3	0	0	0	0	111.1	N749 I750 E751 D755 K756 I757	N749-S753 WeakPolarHBondContact O-CB 3.48Å; N749-S753 PolarHBondContact O-N 2.85Å; N749-S753 VanDerWaalsContact O-N 3.08Å; I750-S753 WeakPolarHBondContact O-CB 3.16Å; I750-S753 PolarHBondContact O-N 2.9Å; I750-S753 VanDerWaalsContact O-N 3.09Å; E751-S753 VanDerWaalsContact C-N 3.26Å; E751-S753 PolarHBondContact O-N 3.13Å; S753-D755 VanDerWaalsContact C-N 3.32Å; S753-D755 PolarHBondContact O-N 3.05Å; S753-K756 WeakPolarHBondContact O-CB 3.48Å; S753-K756 PolarHBondContact O-N 2.92Å; S753-I757 WeakPolarHBondContact O-CG1 3.43Å; S753-I757 PolarHBondContact O-N 3.08Å
754	L	93.1	Very high	92.2	Very high	38 Å²	38	71.5 Å²	71.5	20%	0.199	36%	0.359	C	S	.	.	H	α-helix	trans	-61.2	-40.4	178.8	-68.3	174.6	0	0	0	112	F618 E622 I750 E751 K756 I757 R758	F618-L754 HydrophobicContact CE2-CD1 4.29Å; F618-L754 HydrophobicContact CZ-CD1 4.31Å; E622-L754 HydrophobicContact CG-CD1 4.15Å; I750-L754 HydrophobicContact CG2-CD1 3.83Å; I750-L754 HydrophobicContact CG2-CG 4.27Å; I750-L754 WeakPolarHBondContact O-CG 3.47Å; I750-L754 PolarHBondContact O-N 2.91Å; E751-L754 PolarHBondContact O-N 3.28Å; L754-K756 PolarHBondContact O-N 2.97Å; L754-I757 PolarHBondContact O-N 3.42Å; L754-R758 WeakPolarHBondContact O-CG 3.38Å; L754-R758 PolarHBondContact O-N 2.98Å
755	D	92.8	Very high	91.9	Very high	73 Å²	73	73.7 Å²	73.7	39%	0.39	37%	0.368	S	S	.	.	H	α-helix	trans	-66.1	-37.5	177.3	-74.2	-15.4	0	0	0	112.5	E751 S753 I757 R758 Q759	E751-D755 WeakPolarHBondContact O-CB 3.48Å; E751-D755 PolarHBondContact O-N 3.37Å; S753-D755 VanDerWaalsContact C-N 3.32Å; S753-D755 PolarHBondContact O-N 3.05Å; D755-I757 VanDerWaalsContact C-N 3.34Å; D755-R758 PolarHBondContact O-N 3.29Å; D755-R758 IonicContact OD1-NH1 3.66Å; D755-R758 PolarHBondContact OD1-NH1 3.07Å; D755-Q759 WeakPolarHBondContact O-CB 3.48Å; D755-Q759 VanDerWaalsContact O-CG 3.28Å; D755-Q759 WeakPolarHBondContact O-CG 3.4Å; D755-Q759 PolarHBondContact O-N 3.47Å
756	K	90.3	Very high	91.6	Very high	149 Å²	149	73.9 Å²	73.9	65%	0.648	37%	0.37	S	S	*	.	H	α-helix	trans	-63.9	-40.3	172.8	-75	174.3	-178.3	178.9	0	111.9	K752 S753 L754 Q759 A760	K752-K756 WeakPolarHBondContact O-CG 3.38Å; K752-K756 PolarHBondContact O-N 2.89Å; S753-K756 WeakPolarHBondContact O-CB 3.48Å; S753-K756 PolarHBondContact O-N 2.92Å; L754-K756 PolarHBondContact O-N 2.97Å; K756-Q759 PolarHBondContact O-N 3.34Å; K756-A760 WeakPolarHBondContact O-CB 3.25Å; K756-A760 PolarHBondContact O-N 3.26Å
757	I	87.9	Confident	91.2	Very high	63 Å²	63	78.7 Å²	78.7	32%	0.323	39%	0.394	S	S	.	.	H	α-helix	trans	-63.7	-46.3	176.6	-66.5	165.6	0	0	0	109.8	D707 S753 L754 D755 Q759 A760 M761	D707-I757 HydrophobicContact CB-CD1 3.77Å; S753-I757 WeakPolarHBondContact O-CG1 3.43Å; S753-I757 PolarHBondContact O-N 3.08Å; L754-I757 PolarHBondContact O-N 3.42Å; D755-I757 VanDerWaalsContact C-N 3.34Å; I757-Q759 VanDerWaalsContact C-N 3.28Å; I757-Q759 PolarHBondContact O-N 2.97Å; I757-A760 PolarHBondContact O-N 3.25Å; I757-A760 VanDerWaalsContact O-N 3.09Å; I757-M761 HydrophobicContact CG2-CG 4.5Å; I757-M761 HydrophobicContact CG2-SD 4.15Å; I757-M761 WeakPolarHBondContact O-CG 3.22Å; I757-M761 PolarHBondContact O-N 3.24Å
758	R	88.5	Confident	90.7	Very high	121 Å²	121	84.3 Å²	84.3	46%	0.457	42%	0.422	S	S	.	.	H	α-helix	trans	-60.4	-34.7	175.9	-72	168.7	178.9	156.1	-2.1	113.5	E622 L754 D755 A760	E622-R758 IonicContact OE1-CZ 3.34Å; E622-R758 IonicContact OE1-NH1 3.18Å; E622-R758 PolarHBondContact OE1-NH1 3.43Å; E622-R758 IonicContact OE1-NH2 2.67Å; E622-R758 PolarHBondContact OE1-NH2 3.25Å; E622-R758 IonicContact OE2-CZ 3.84Å; E622-R758 IonicContact OE2-NH2 2.77Å; E622-R758 PolarHBondContact OE2-NH2 3.49Å; L754-R758 WeakPolarHBondContact O-CG 3.38Å; L754-R758 PolarHBondContact O-N 2.98Å; D755-R758 PolarHBondContact O-N 3.29Å; D755-R758 IonicContact OD1-NH1 3.66Å; D755-R758 PolarHBondContact OD1-NH1 3.07Å; R758-A760 VanDerWaalsContact C-N 3.34Å
759	Q	87.6	Confident	90.2	Very high	164 Å²	164	87.2 Å²	87.2	77%	0.766	44%	0.435	S	S	*	.	H	α-helix	trans	-75.4	-23.8	176.2	-73.6	174.2	13.9	0	0	113.1	D755 K756 I757	D755-Q759 WeakPolarHBondContact O-CB 3.48Å; D755-Q759 VanDerWaalsContact O-CG 3.28Å; D755-Q759 WeakPolarHBondContact O-CG 3.4Å; D755-Q759 PolarHBondContact O-N 3.47Å; K756-Q759 PolarHBondContact O-N 3.34Å; I757-Q759 VanDerWaalsContact C-N 3.28Å; I757-Q759 PolarHBondContact O-N 2.97Å
760	A	81	Confident	89.7	Confident	91 Å²	91	91.4 Å²	91.4	75%	0.752	46%	0.456	S	S	*	.	H	α-helix	trans	-88.3	-20.4	179.3	0	0	0	0	0	113.4	K756 I757 R758	K756-A760 WeakPolarHBondContact O-CB 3.25Å; K756-A760 PolarHBondContact O-N 3.26Å; I757-A760 PolarHBondContact O-N 3.25Å; I757-A760 VanDerWaalsContact O-N 3.09Å; R758-A760 VanDerWaalsContact C-N 3.34Å
761	M	72.3	Confident	89	Confident	204 Å²	204	99.4 Å²	99.4	100%	1.005	50%	0.495	S	S	*	.			trans	-84	0	170.6	-66.3	-177.6	78.4	0	0	111	I757	I757-M761 HydrophobicContact CG2-CG 4.5Å; I757-M761 HydrophobicContact CG2-SD 4.15Å; I757-M761 WeakPolarHBondContact O-CG 3.22Å; I757-M761 PolarHBondContact O-N 3.24Å

Retrieved 761 of 761 residues in 1156.9 ms (Link to these results)

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