A0A060W7K3_ONCMY Loading...

Tyrosine aminotransferase

Transaminase involved in tyrosine breakdown. Converts tyrosine to p-hydroxyphenylpyruvate.

AlphaFold DB , UniProt , Accession A0A060W7K3, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110494358, Length 468 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.1	Very low	29.1	Very low	248 Å²	248	166.6 Å²	166.6	100%	1.222	85%	0.854	S	S	*	*				0	102.6	0	-73.8	179.6	-170.7	0	0	105.2
2	E	29.2	Very low	28.9	Very low	187 Å²	187	158.3 Å²	158.3	87%	0.874	84%	0.841	S	S	*	*			trans	-75.2	132.1	-171.7	-69.3	167.3	151.4	0	0	110.1
3	D	27.7	Very low	29	Very low	167 Å²	167	159.5 Å²	159.5	89%	0.893	85%	0.847	S	S	*	*			trans	-95.4	104.6	175.7	-125.8	-13.2	0	0	0	108.3	S5	D3-S5 PolarHBondContact O-N 3.15Å
4	N	29.2	Very low	28.9	Very low	127 Å²	127	153.4 Å²	153.4	68%	0.679	84%	0.841	S	S	*	*			trans	-81.7	106	177.8	-88.7	-31.2	0	0	0	110.2	Y6	N4-Y6 HydrophobicContact CB-CE2 4.31Å
5	S	28.7	Very low	28.8	Very low	113 Å²	113	152.1 Å²	152.1	79%	0.79	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-100.2	122.5	164.8	54.9	0	0	0	0	110.2	D3	D3-S5 PolarHBondContact O-N 3.15Å
6	Y	31	Very low	28.7	Very low	204 Å²	204	153.3 Å²	153.3	80%	0.8	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-86	130.2	-176.8	-74	-92.2	0	0	0	111.7	N4	N4-Y6 HydrophobicContact CB-CE2 4.31Å
7	V	24.7	Very low	28.6	Very low	134 Å²	134	153.6 Å²	153.6	81%	0.812	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-83.4	123.6	169.1	174.5	0	0	0	0	109.2
8	V	28.3	Very low	28.5	Very low	133 Å²	133	152.3 Å²	152.3	81%	0.806	83%	0.83	S	S	*	*			trans	-98.8	112.5	170.7	178.4	0	0	0	0	109.6
9	K	25.8	Very low	28.4	Very low	179 Å²	179	152 Å²	152	78%	0.778	83%	0.828	S	S	*	*			trans	-71	128.8	168.9	-81.7	177.2	172.3	176.8	0	110.5
10	M	26.5	Very low	28.2	Very low	191 Å²	191	148.8 Å²	148.8	94%	0.941	82%	0.817	S	S	*	*			trans	-80.6	114	163.3	-75	-95.2	-166.5	0	0	108.8
11	N	29.9	Very low	28.2	Very low	150 Å²	150	148.9 Å²	148.9	80%	0.802	82%	0.816	S	S	*	*			trans	-90	119.7	167.9	-86	-8.3	0	0	0	109.5
12	G	26.3	Very low	27.6	Very low	67 Å²	67	144.6 Å²	144.6	69%	0.691	80%	0.798	S	S	*	*			trans	-78.1	147.1	161.3	0	0	0	0	0	111.2
13	N	30.3	Very low	27.5	Very low	173 Å²	173	139.6 Å²	139.6	93%	0.925	80%	0.797	S	S	*	*			trans	-165.1	132.4	156.9	-89.2	-20.7	0	0	0	103.7
14	G	27.8	Very low	27.5	Very low	74 Å²	74	137.9 Å²	137.9	76%	0.763	79%	0.792	S	S	*	*			cis	135.5	122.1	29.7	0	0	0	0	0	105.2
15	V	27.5	Very low	27.4	Very low	135 Å²	135	139.6 Å²	139.6	82%	0.818	80%	0.801	S	S	*	*			trans	-63.3	147.7	-176.2	175.3	0	0	0	0	111.4
16	N	27.2	Very low	27.2	Very low	170 Å²	170	138 Å²	138	91%	0.909	80%	0.802	S	S	*	*			trans	-151.6	131.1	152.6	-108.8	-12.2	0	0	0	112.4
17	E	26.5	Very low	27.1	Very low	159 Å²	159	138.4 Å²	138.4	74%	0.743	81%	0.808	S	S	*	*			trans	-96	161.9	175.1	-81.3	-175.4	151.8	0	0	112.5
18	N	27.4	Very low	27.2	Very low	131 Å²	131	135.8 Å²	135.8	70%	0.701	81%	0.808	S	S	*	*			trans	70.6	114.1	151.4	-68.3	-19.6	0	0	0	121.4
19	N	26.1	Very low	27.3	Very low	146 Å²	146	137.1 Å²	137.1	78%	0.781	81%	0.81	S	S	*	*				170.1	128.4	92	-103.5	-18	0	0	0	114.6
20	S	25.4	Very low	27.5	Very low	88 Å²	88	136.8 Å²	136.8	62%	0.615	82%	0.816	S	S	*	*			trans	18.2	138.1	139.1	69.6	0	0	0	0	124.5
21	L	27.3	Very low	27.5	Very low	151 Å²	151	131.2 Å²	131.2	79%	0.791	81%	0.808	S	S	*	*				132.1	119.5	126.7	-83	153	0	0	0	118
22	N	27.4	Very low	27.6	Very low	158 Å²	158	131.8 Å²	131.8	85%	0.845	81%	0.811	S	S	*	*			trans	16.9	131.8	144	-68.4	-19.2	0	0	0	122
23	G	25.5	Very low	27.6	Very low	82 Å²	82	132.3 Å²	132.3	85%	0.845	82%	0.817	S	S	*	*			trans	-168.1	111.7	156.9	0	0	0	0	0	112.8
24	V	27.9	Very low	27.8	Very low	130 Å²	130	130.6 Å²	130.6	79%	0.788	81%	0.806	S	S	*	*			trans	-94.9	133.5	179.1	169.7	0	0	0	0	110.3
25	N	27.2	Very low	27.9	Very low	164 Å²	164	135.7 Å²	135.7	88%	0.877	81%	0.81	S	S	*	*			trans	149.6	137.2	133.9	-91.8	-35.9	0	0	0	113.3
26	G	25.9	Very low	28.1	Very low	78 Å²	78	137.2 Å²	137.2	80%	0.804	81%	0.808	S	S	*	*			trans	159.9	90	161.7	0	0	0	0	0	114.9
27	K	28.8	Very low	28.3	Very low	213 Å²	213	138.4 Å²	138.4	93%	0.926	81%	0.805	S	S	*	*			trans	-56.8	143.7	173.5	-76	170.4	169.6	173.2	0	112.8
28	G	26.4	Very low	28.6	Very low	79 Å²	79	137.2 Å²	137.2	81%	0.814	81%	0.809	S	S	*	*			trans	-160.1	87.4	164.9	0	0	0	0	0	111.3
29	L	30.5	Very low	28.9	Very low	162 Å²	162	137.3 Å²	137.3	85%	0.848	81%	0.814	S	S	*	*			trans	-73.9	130.7	168.6	-84	138.7	0	0	0	110
30	N	29.1	Very low	29.6	Very low	171 Å²	171	140.4 Å²	140.4	91%	0.914	82%	0.82	S	S	*	*			trans	-171.8	120.9	147	-91.8	-18.7	0	0	0	104.8
31	G	27.8	Very low	30.1	Very low	74 Å²	74	139.7 Å²	139.7	76%	0.763	83%	0.827	S	S	*	*			cis	127.7	90.3	37.8	0	0	0	0	0	106.5
32	N	30.9	Very low	30.6	Very low	162 Å²	162	136.7 Å²	136.7	87%	0.866	82%	0.819	S	S	*	*			trans	5.8	134.5	168.4	-70.9	-17.4	0	0	0	121.6
33	G	25.8	Very low	30.9	Very low	79 Å²	79	136 Å²	136	81%	0.814	82%	0.82	S	S	*	*			trans	-155.9	57.5	155.5	0	0	0	0	0	111.8	Q35	G33-Q35 PolarHBondContact O-N 2.68Å
34	I	35.5	Very low	31.6	Very low	137 Å²	137	141.7 Å²	141.7	70%	0.703	82%	0.817	S	S	*	*			trans	-77	112.3	168.7	-61.4	172.9	0	0	0	107.5
35	Q	29.7	Very low	32.4	Very low	181 Å²	181	144.9 Å²	144.9	85%	0.846	82%	0.82	S	S	*	*			trans	-107.1	106.6	160.4	-85.8	-169	-8	0	0	109.3	G33	G33-Q35 PolarHBondContact O-N 2.68Å
36	H	32.8	Very low	33.2	Very low	166 Å²	166	142.3 Å²	142.3	77%	0.769	82%	0.815	S	S	*	*			trans	-71.6	120.2	160.1	-81.9	-75.1	0	0	0	109.1
37	K	29.4	Very low	34.6	Very low	196 Å²	196	148 Å²	148	85%	0.852	82%	0.818	S	S	*	*			trans	-123.6	108.2	153.2	-92.5	-171.6	175.5	-179.6	0	108.1
38	T	34	Very low	35.8	Very low	134 Å²	134	146.7 Å²	146.7	82%	0.822	82%	0.815	S	S	*	*			trans	-86.4	108.5	171.3	-20.1	0	0	0	0	108.2
39	V	33.6	Very low	37.2	Very low	133 Å²	133	152.8 Å²	152.8	81%	0.806	82%	0.819	S	S	*	*			trans	-142.7	123.8	154.5	-177	0	0	0	0	107.3
40	K	40.1	Very low	38.9	Very low	210 Å²	210	150.2 Å²	150.2	91%	0.913	81%	0.814	S	S	*	*	S	Bend	trans	-9.7	126.5	172.6	-67	175.7	173.6	179.5	0	116.9
41	G	37.3	Very low	40.9	Very low	73 Å²	73	152.9 Å²	152.9	75%	0.753	81%	0.812	S	S	*	*			trans	135.7	123.4	156.2	0	0	0	0	0	114.7
42	S	36.8	Very low	42.9	Very low	89 Å²	89	160 Å²	160	62%	0.622	82%	0.816	S	S	*	*			trans	22.2	114.1	159.7	-173.7	0	0	0	0	118.5	Y44	S42-Y44 PolarHBondContact O-N 3.02Å
43	V	34.2	Very low	45.2	Very low	144 Å²	144	161.6 Å²	161.6	87%	0.873	82%	0.818	S	S	*	*			trans	-69.4	90.2	168.1	-177.8	0	0	0	0	109.5	K45	V43-K45 PolarHBondContact O-N 2.9Å
44	Y	40.2	Very low	48	Very low	201 Å²	201	167.5 Å²	167.5	79%	0.788	82%	0.816	S	S	*	*			trans	-75.1	116.5	159.9	-81.1	-86.2	0	0	0	108.5	S42 S46	S42-Y44 PolarHBondContact O-N 3.02Å; Y44-S46 PolarHBondContact O-N 2.99Å
45	K	44	Very low	50.6	Low	196 Å²	196	171.9 Å²	171.9	85%	0.852	82%	0.823	S	S	*	*			trans	-55.9	110.9	167.5	-79.1	-178.3	177	177.2	0	108.3	V43 K47	V43-K45 PolarHBondContact O-N 2.9Å; K45-K47 PolarHBondContact O-N 2.93Å
46	S	45.4	Very low	53.4	Low	110 Å²	110	167.6 Å²	167.6	77%	0.769	81%	0.806	S	S	*	*			trans	-62	107.7	171.1	62.6	0	0	0	0	108.4	Y44 Q48	Y44-S46 PolarHBondContact O-N 2.99Å; S46-Q48 PolarHBondContact O-N 3.37Å
47	K	53.5	Low	56.2	Low	199 Å²	199	166.3 Å²	166.3	87%	0.865	80%	0.803	S	S	*	*			trans	-59.6	110.2	169.7	-77.2	-176.6	177.2	178.4	0	107.4	K45 K49	K45-K47 PolarHBondContact O-N 2.93Å; K47-K49 PolarHBondContact O-N 3.31Å
48	Q	55.3	Low	59.3	Low	184 Å²	184	165.8 Å²	165.8	86%	0.86	80%	0.796	S	S	*	*			trans	-52.7	124.4	167.3	-86.7	-177.2	-23.7	0	0	107.8	S46 S50	S46-Q48 PolarHBondContact O-N 3.37Å; Q48-S50 PolarHBondContact O-N 3.09Å
49	K	54.8	Low	62.3	Low	208 Å²	208	163.6 Å²	163.6	90%	0.904	78%	0.784	S	S	*	*			trans	-67.9	85.5	175	-73.3	-175.1	179.7	179.5	0	108.7	K47 R51	K47-K49 PolarHBondContact O-N 3.31Å; K49-R51 PolarHBondContact O-N 3.24Å
50	S	66.1	Low	65.3	Low	107 Å²	107	160.6 Å²	160.6	75%	0.748	77%	0.769	S	S	*	*			trans	-61.6	101.9	165.4	163.5	0	0	0	0	108.1	Q48 R52	Q48-S50 PolarHBondContact O-N 3.09Å; S50-R52 PolarHBondContact O-N 3.15Å
51	R	71.1	Confident	67.9	Low	228 Å²	228	158.2 Å²	158.2	86%	0.86	76%	0.761	S	S	*	*			trans	-59.6	120.1	167.3	-90.6	-178.2	166.8	177.1	-3.9	107.6	K49 Q53	K49-R51 PolarHBondContact O-N 3.24Å; R51-Q53 PolarHBondContact O-N 2.83Å; R51-Q53 VanDerWaalsContact O-N 3.12Å
52	R	70.6	Confident	70.6	Confident	224 Å²	224	159 Å²	159	85%	0.845	75%	0.746	S	S	*	*			trans	-58.8	115.8	173.5	-68.2	-179	177.7	177.3	-1.9	108.1	S50	S50-R52 PolarHBondContact O-N 3.15Å
53	Q	78.8	Confident	73.4	Confident	195 Å²	195	157.6 Å²	157.6	91%	0.911	74%	0.737	S	S	*	*			trans	-86.4	-13.7	-179	-66.7	-167.6	-10.3	0	0	113.4	R51	R51-Q53 PolarHBondContact O-N 2.83Å; R51-Q53 VanDerWaalsContact O-N 3.12Å
54	R	85.5	Confident	76.2	Confident	203 Å²	203	156 Å²	156	77%	0.766	72%	0.722	S	S	*	*	S	Bend	trans	-152.1	156.4	176.1	63.6	-178	-178.1	176.1	0.6	111.3	N56	R54-N56 PolarHBondContact O-N 3.17Å
55	W	89.3	Confident	78.7	Confident	229 Å²	229	150.2 Å²	150.2	87%	0.867	71%	0.705	S	S	*	*			trans	-63.1	124.3	168.5	-66	102.8	0	0	0	109.7	I57	W55-I57 HydrophobicContact CE3-CD1 3.94Å; W55-I57 HydrophobicContact CE3-CG1 4.3Å; W55-I57 HydrophobicContact CZ3-CD1 4.23Å
56	N	88.4	Confident	81.1	Confident	90 Å²	90	144.1 Å²	144.1	48%	0.481	68%	0.684	S	S	.	*			trans	-149.7	70.6	174.9	-179.6	28.3	0	0	0	107.2	R54 R58	R54-N56 PolarHBondContact O-N 3.17Å; N56-R58 PolarHBondContact OD1-NE 3.39Å; N56-R58 VanDerWaalsContact OD1-NE 3.12Å
57	I	93	Very high	83.2	Confident	139 Å²	139	144.2 Å²	144.2	71%	0.713	68%	0.675	S	S	*	*			trans	-84.3	127.7	177	-57.6	170.7	0	0	0	106.6	W55	W55-I57 HydrophobicContact CE3-CD1 3.94Å; W55-I57 HydrophobicContact CE3-CG1 4.3Å; W55-I57 HydrophobicContact CZ3-CD1 4.23Å
58	R	94.4	Very high	85	Confident	186 Å²	186	137.4 Å²	137.4	70%	0.702	65%	0.648	S	S	*	*			trans	-124.6	147.7	179.3	-64.2	-176.4	179.5	-169.7	-4.9	109.4	N56	N56-R58 PolarHBondContact OD1-NE 3.39Å; N56-R58 VanDerWaalsContact OD1-NE 3.12Å
59	P	96.3	Very high	86.6	Confident	88 Å²	88	129.4 Å²	129.4	57%	0.571	61%	0.612	S	S	*	*			trans	-59.4	158	169.5	25.8	-33	0	0	0	110.9	S63 I64	P59-S63 WeakPolarHBondContact CB-OG 3.32Å; P59-I64 HydrophobicContact CB-CD1 4.3Å; P59-I64 HydrophobicContact CB-CG1 4.04Å; P59-I64 HydrophobicContact CG-CD1 3.72Å; P59-I64 HydrophobicContact CG-CG1 3.73Å
60	S	96.2	Very high	88.1	Confident	69 Å²	69	120.9 Å²	120.9	48%	0.483	58%	0.576	S	S	.	*			trans	-72.6	153.9	175.1	68.9	0	0	0	0	110.4	M62 S63 I64	S60-M62 VanDerWaalsContact C-N 3.31Å; S60-M62 PolarHBondContact O-N 2.91Å; S60-S63 PolarHBondContact N-OG 3.06Å; S60-S63 VanDerWaalsContact N-OG 3.15Å; S60-S63 PolarHBondContact O-N 3.47Å; S60-S63 VanDerWaalsContact O-N 3.09Å; S60-S63 PolarHBondContact O-OG 3.02Å; S60-S63 WeakPolarHBondContact OG-CB 3.26Å; S60-S63 PolarHBondContact OG-N 3.4Å; S60-S63 PolarHBondContact OG-OG 3.3Å; S60-I64 WeakPolarHBondContact O-CG1 3.27Å; S60-I64 PolarHBondContact O-N 3.07Å; S60-I64 VanDerWaalsContact O-N 3.07Å
61	E	93.9	Very high	89.2	Confident	160 Å²	160	123 Å²	123	75%	0.748	57%	0.568	S	S	*	*	H	α-helix	trans	-57.8	-44.1	176.5	-67.6	175.3	179.8	0	0	111.7	S63 I64 N65	E61-S63 VanDerWaalsContact C-N 3.31Å; E61-S63 PolarHBondContact O-N 3.02Å; E61-I64 PolarHBondContact O-N 3.18Å; E61-I64 VanDerWaalsContact O-N 3.16Å; E61-N65 WeakPolarHBondContact O-CB 3.16Å; E61-N65 VanDerWaalsContact O-CG 3.23Å; E61-N65 PolarHBondContact O-N 2.85Å; E61-N65 PolarHBondContact O-ND2 3.28Å
62	M	94.8	Very high	89.9	Confident	90 Å²	90	114.5 Å²	114.5	44%	0.443	55%	0.546	S	S	.	.	H	α-helix	trans	-53.5	-46.7	173.7	176.7	178.3	-172.3	0	0	111.8	S60 I64 N65 T66 S192 L193	S60-M62 VanDerWaalsContact C-N 3.31Å; S60-M62 PolarHBondContact O-N 2.91Å; M62-I64 VanDerWaalsContact C-N 3.35Å; M62-I64 PolarHBondContact O-N 3.12Å; M62-N65 PolarHBondContact O-N 2.58Å; M62-T66 PolarHBondContact O-N 3.17Å; M62-T66 PolarHBondContact O-OG1 3.02Å; M62-S192 WeakPolarHBondContact CG-O 3.17Å; M62-L193 HydrophobicContact CE-CD2 4.05Å
63	S	95.5	Very high	90.7	Very high	60 Å²	60	105.3 Å²	105.3	42%	0.42	51%	0.514	S	S	.	.	H	α-helix	trans	-66.7	-35.4	-179.3	66.4	0	0	0	0	113.1	P59 S60 E61	P59-S63 WeakPolarHBondContact CB-OG 3.32Å; S60-S63 PolarHBondContact N-OG 3.06Å; S60-S63 VanDerWaalsContact N-OG 3.15Å; S60-S63 PolarHBondContact O-N 3.47Å; S60-S63 VanDerWaalsContact O-N 3.09Å; S60-S63 PolarHBondContact O-OG 3.02Å; S60-S63 WeakPolarHBondContact OG-CB 3.26Å; S60-S63 PolarHBondContact OG-N 3.4Å; S60-S63 PolarHBondContact OG-OG 3.3Å; E61-S63 VanDerWaalsContact C-N 3.31Å; E61-S63 PolarHBondContact O-N 3.02Å
64	I	93.7	Very high	91.1	Very high	110 Å²	110	97.2 Å²	97.2	56%	0.564	48%	0.477	S	S	*	.	H	α-helix	trans	-68.7	-39	175.7	-66.9	163.6	0	0	0	110.6	P59 S60 E61 M62 T66	P59-I64 HydrophobicContact CB-CD1 4.3Å; P59-I64 HydrophobicContact CB-CG1 4.04Å; P59-I64 HydrophobicContact CG-CD1 3.72Å; P59-I64 HydrophobicContact CG-CG1 3.73Å; S60-I64 WeakPolarHBondContact O-CG1 3.27Å; S60-I64 PolarHBondContact O-N 3.07Å; S60-I64 VanDerWaalsContact O-N 3.07Å; E61-I64 PolarHBondContact O-N 3.18Å; E61-I64 VanDerWaalsContact O-N 3.16Å; M62-I64 VanDerWaalsContact C-N 3.35Å; M62-I64 PolarHBondContact O-N 3.12Å; I64-T66 VanDerWaalsContact C-N 3.32Å
65	N	92.2	Very high	91.2	Very high	79 Å²	79	93.2 Å²	93.2	42%	0.422	47%	0.471	S	S	.	.	H	α-helix	trans	-81.1	-11	-177.8	-65.3	-12.3	0	0	0	113.5	E61 M62 L67	E61-N65 WeakPolarHBondContact O-CB 3.16Å; E61-N65 VanDerWaalsContact O-CG 3.23Å; E61-N65 PolarHBondContact O-N 2.85Å; E61-N65 PolarHBondContact O-ND2 3.28Å; M62-N65 PolarHBondContact O-N 2.58Å; N65-L67 PolarHBondContact O-N 3.06Å; N65-L67 VanDerWaalsContact O-N 3.17Å
66	T	94.7	Very high	91	Very high	68 Å²	68	85.2 Å²	85.2	42%	0.417	46%	0.46	S	S	.	.			trans	-78.7	101.1	179.6	-57.8	0	0	0	0	109.8	M62 I64 T188 S192	M62-T66 PolarHBondContact O-N 3.17Å; M62-T66 PolarHBondContact O-OG1 3.02Å; I64-T66 VanDerWaalsContact C-N 3.32Å; T66-T188 HydrophobicContact CG2-CG2 4.19Å; T66-S192 VanDerWaalsContact OG1-CB 3.23Å; T66-S192 WeakPolarHBondContact OG1-CB 3.35Å
67	L	90	Very high	91	Very high	112 Å²	112	81.7 Å²	81.7	59%	0.586	44%	0.44	S	S	*	.			trans	-126	129.6	177.1	-176.1	69.9	0	0	0	110	N65 P69 A72 T188	N65-L67 PolarHBondContact O-N 3.06Å; N65-L67 VanDerWaalsContact O-N 3.17Å; L67-P69 WeakPolarHBondContact O-CD 3.49Å; L67-A72 HydrophobicContact CD1-CB 3.89Å; L67-A72 HydrophobicContact CD2-CB 4.33Å; L67-A72 HydrophobicContact CG-CB 4.18Å; L67-T188 WeakPolarHBondContact O-CG2 3.46Å; L67-T188 PolarHBondContact O-OG1 2.98Å
68	N	91.3	Very high	90.6	Very high	57 Å²	57	83 Å²	83	31%	0.305	44%	0.441	S	S	.	.			trans	-94.9	111.9	171	-176.9	-47.8	0	0	0	109.5	I70 R71 A72	N68-I70 VanDerWaalsContact C-N 3.29Å; N68-I70 PolarHBondContact O-N 3.36Å; N68-I70 WeakPolarHBondContact OD1-CB 3.35Å; N68-I70 PolarHBondContact OD1-N 3.44Å; N68-R71 HydrophobicContact CB-CB 4.2Å; N68-R71 HydrophobicContact CB-CG 4.24Å; N68-R71 PolarHBondContact O-N 3Å; N68-R71 VanDerWaalsContact O-N 3.09Å; N68-R71 PolarHBondContact OD1-N 2.93Å; N68-A72 PolarHBondContact O-N 3.26Å
69	P	88.7	Confident	90.3	Very high	15 Å²	15	77 Å²	77	10%	0.097	42%	0.422	C	S	.	.	H	α-helix	trans	-54.2	-39.1	-177.8	-29	33.8	0	0	0	114.8	L67 R71 A72 I73 K187 T188	L67-P69 WeakPolarHBondContact O-CD 3.49Å; P69-R71 PolarHBondContact O-N 2.88Å; P69-A72 PolarHBondContact O-N 3.17Å; P69-I73 WeakPolarHBondContact O-CG1 3.37Å; P69-I73 PolarHBondContact O-N 2.8Å; P69-K187 HydrophobicContact CG-CD 4.45Å; P69-T188 WeakPolarHBondContact CD-OG1 3.28Å
70	I	86.8	Confident	90.2	Very high	30 Å²	30	77.5 Å²	77.5	15%	0.154	42%	0.424	C	S	.	.	H	α-helix	trans	-62.7	-47.1	178.4	-64.2	170.1	0	0	0	109.8	N68 I73 V74 S184 L419 A423 F424	N68-I70 VanDerWaalsContact C-N 3.29Å; N68-I70 PolarHBondContact O-N 3.36Å; N68-I70 WeakPolarHBondContact OD1-CB 3.35Å; N68-I70 PolarHBondContact OD1-N 3.44Å; I70-I73 PolarHBondContact O-N 3.15Å; I70-V74 HydrophobicContact CG2-CG2 4.15Å; I70-V74 VanDerWaalsContact O-CB 3.32Å; I70-V74 WeakPolarHBondContact O-CB 3.37Å; I70-V74 WeakPolarHBondContact O-CG2 3.38Å; I70-V74 PolarHBondContact O-N 3.43Å; I70-S184 WeakPolarHBondContact CD1-OG 3.31Å; I70-S184 WeakPolarHBondContact CG1-OG 3.36Å; I70-L419 HydrophobicContact CD1-CD2 4.49Å; I70-L419 HydrophobicContact CG1-CD2 4.46Å; I70-L419 HydrophobicContact CG2-CD1 4.14Å; I70-L419 HydrophobicContact CG2-CD2 4.26Å; I70-A423 HydrophobicContact CB-CB 4.47Å; I70-A423 HydrophobicContact CG1-CB 3.9Å; I70-F424 HydrophobicContact CD1-CE1 3.84Å; I70-F424 HydrophobicContact CD1-CZ 4.21Å; I70-F424 HydrophobicContact CG1-CE1 4.34Å
71	R	87.2	Confident	90.2	Very high	151 Å²	151	77 Å²	77	57%	0.57	42%	0.419	S	S	*	.	H	α-helix	trans	-67.3	-42	178.5	-66.6	-64.3	178.2	-171.8	-2.1	111.8	N68 P69 I73 V74 D75	N68-R71 HydrophobicContact CB-CB 4.2Å; N68-R71 HydrophobicContact CB-CG 4.24Å; N68-R71 PolarHBondContact O-N 3Å; N68-R71 VanDerWaalsContact O-N 3.09Å; N68-R71 PolarHBondContact OD1-N 2.93Å; P69-R71 PolarHBondContact O-N 2.88Å; R71-I73 PolarHBondContact O-N 2.64Å; R71-V74 PolarHBondContact O-N 3.37Å; R71-D75 WeakPolarHBondContact O-CB 3.25Å; R71-D75 PolarHBondContact O-N 2.74Å
72	A	86.5	Confident	90.3	Very high	49 Å²	49	71 Å²	71	41%	0.405	39%	0.392	S	S	.	.	H	α-helix	trans	-56.2	-39.4	177.7	0	0	0	0	0	112.5	L67 N68 P69	L67-A72 HydrophobicContact CD1-CB 3.89Å; L67-A72 HydrophobicContact CD2-CB 4.33Å; L67-A72 HydrophobicContact CG-CB 4.18Å; N68-A72 PolarHBondContact O-N 3.26Å; P69-A72 PolarHBondContact O-N 3.17Å
73	I	88.2	Confident	90.4	Very high	32 Å²	32	72.8 Å²	72.8	16%	0.164	41%	0.411	C	S	.	.	H	α-helix	trans	-79.1	-55.5	177.7	-65.8	171.1	0	0	0	110.7	P69 I70 R71 D75 G76 M77 V404 P420 T422 A423	P69-I73 WeakPolarHBondContact O-CG1 3.37Å; P69-I73 PolarHBondContact O-N 2.8Å; I70-I73 PolarHBondContact O-N 3.15Å; R71-I73 PolarHBondContact O-N 2.64Å; I73-D75 VanDerWaalsContact C-N 3.33Å; I73-D75 PolarHBondContact O-N 3.27Å; I73-G76 CarbonylContact O-C 3.57Å; I73-G76 WeakPolarHBondContact O-CA 3.37Å; I73-G76 PolarHBondContact O-N 3.09Å; I73-M77 HydrophobicContact CG2-CG 4.27Å; I73-M77 HydrophobicContact CG2-SD 4.04Å; I73-M77 WeakPolarHBondContact O-CG 3.46Å; I73-M77 PolarHBondContact O-N 3.32Å; I73-V404 HydrophobicContact CG2-CG1 4.42Å; I73-V404 HydrophobicContact CG2-CG2 4.16Å; I73-P420 HydrophobicContact CG2-CG 3.93Å; I73-T422 HydrophobicContact CD1-CG2 3.71Å; I73-A423 VanDerWaalsContact CD1-CA 3.4Å; I73-A423 HydrophobicContact CD1-CB 3.82Å; I73-A423 VanDerWaalsContact CD1-N 3.3Å
74	V	86.8	Confident	90.5	Very high	24 Å²	24	78.2 Å²	78.2	15%	0.145	43%	0.429	C	S	.	.	H	α-helix	trans	-61.4	-39.9	-174.2	174.3	0	0	0	0	112.2	I70 R71 G76 M77 L79 F417 L419	I70-V74 HydrophobicContact CG2-CG2 4.15Å; I70-V74 VanDerWaalsContact O-CB 3.32Å; I70-V74 WeakPolarHBondContact O-CB 3.37Å; I70-V74 WeakPolarHBondContact O-CG2 3.38Å; I70-V74 PolarHBondContact O-N 3.43Å; R71-V74 PolarHBondContact O-N 3.37Å; V74-G76 PolarHBondContact O-N 2.77Å; V74-M77 PolarHBondContact O-N 3.48Å; V74-L79 HydrophobicContact CG1-CD1 4.35Å; V74-F417 HydrophobicContact CG1-CE1 4.29Å; V74-F417 HydrophobicContact CG1-CZ 4.02Å; V74-F417 HydrophobicContact CG2-CZ 4.07Å; V74-L419 HydrophobicContact CG2-CD1 3.52Å
75	D	86.6	Confident	90.7	Very high	120 Å²	120	75.3 Å²	75.3	64%	0.642	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-19.9	178.7	-58.1	-16.8	0	0	0	111.8	R71 I73	R71-D75 WeakPolarHBondContact O-CB 3.25Å; R71-D75 PolarHBondContact O-N 2.74Å; I73-D75 VanDerWaalsContact C-N 3.33Å; I73-D75 PolarHBondContact O-N 3.27Å
76	G	85.4	Confident	90.9	Very high	60 Å²	60	76.1 Å²	76.1	62%	0.619	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-15.7	174	0	0	0	0	0	114.3	I73 V74	I73-G76 CarbonylContact O-C 3.57Å; I73-G76 WeakPolarHBondContact O-CA 3.37Å; I73-G76 PolarHBondContact O-N 3.09Å; V74-G76 PolarHBondContact O-N 2.77Å
77	M	88.2	Confident	91	Very high	16 Å²	16	77 Å²	77	8%	0.079	42%	0.423	C	S	.	.	S	Bend	trans	-74.2	144.3	-179	-74.5	171.2	85.5	0	0	112.1	I73 V74 L79 V404 T407 E408 F417 P420	I73-M77 HydrophobicContact CG2-CG 4.27Å; I73-M77 HydrophobicContact CG2-SD 4.04Å; I73-M77 WeakPolarHBondContact O-CG 3.46Å; I73-M77 PolarHBondContact O-N 3.32Å; V74-M77 PolarHBondContact O-N 3.48Å; M77-L79 HydrophobicContact CB-CD1 4.48Å; M77-L79 HydrophobicContact CB-CD2 3.85Å; M77-L79 HydrophobicContact CB-CG 3.87Å; M77-L79 HydrophobicContact CE-CD2 3.87Å; M77-L79 PolarHBondContact O-N 3.35Å; M77-L79 HydrophobicContact SD-CD2 4.37Å; M77-V404 HydrophobicContact CE-CG1 4.29Å; M77-V404 HydrophobicContact CG-CG1 3.84Å; M77-V404 HydrophobicContact SD-CG1 4.36Å; M77-T407 VanDerWaalsContact CE-OG1 3.3Å; M77-T407 WeakPolarHBondContact CE-OG1 3.41Å; M77-E408 WeakPolarHBondContact CA-OE1 3.43Å; M77-E408 HydrophobicContact CB-CG 4.12Å; M77-E408 HydrophobicContact CE-CB 4.47Å; M77-E408 HydrophobicContact CE-CG 3.54Å; M77-E408 HydrophobicContact CG-CG 4.07Å; M77-F417 HydrophobicContact CE-CE2 4.11Å; M77-F417 HydrophobicContact SD-CE2 4.25Å; M77-P420 HydrophobicContact CE-CG 4.1Å; M77-P420 HydrophobicContact SD-CG 3.93Å
78	K	85.7	Confident	91.4	Very high	168 Å²	168	71.9 Å²	71.9	73%	0.73	40%	0.396	S	S	*	.			trans	-88	78	173.1	-67.9	-178	-175.6	174.3	0	111	T80 E408	K78-T80 PolarHBondContact O-N 2.72Å; K78-T80 VanDerWaalsContact O-N 3.08Å; K78-E408 PolarHBondContact N-OE1 3.06Å
79	L	87.3	Confident	91.6	Very high	58 Å²	58	70 Å²	70	30%	0.304	39%	0.389	S	S	.	.			trans	-84.8	77.6	-178.4	-56.1	-179.7	0	0	0	111.7	V74 M77 P81 V411 F417	V74-L79 HydrophobicContact CG1-CD1 4.35Å; M77-L79 HydrophobicContact CB-CD1 4.48Å; M77-L79 HydrophobicContact CB-CD2 3.85Å; M77-L79 HydrophobicContact CB-CG 3.87Å; M77-L79 HydrophobicContact CE-CD2 3.87Å; M77-L79 PolarHBondContact O-N 3.35Å; M77-L79 HydrophobicContact SD-CD2 4.37Å; L79-P81 WeakPolarHBondContact O-CD 3.38Å; L79-V411 HydrophobicContact CB-CG1 4.37Å; L79-V411 HydrophobicContact CD2-CB 4.32Å; L79-V411 HydrophobicContact CD2-CG1 4.29Å; L79-V411 HydrophobicContact CD2-CG2 4.12Å; L79-F417 HydrophobicContact CD1-CD1 4.4Å; L79-F417 HydrophobicContact CD1-CE1 3.84Å; L79-F417 HydrophobicContact CD1-CE2 4.29Å; L79-F417 HydrophobicContact CD1-CZ 3.79Å; L79-F417 HydrophobicContact CD2-CD2 4.44Å; L79-F417 HydrophobicContact CD2-CE2 4.2Å
80	T	94.3	Very high	92	Very high	99 Å²	99	69.3 Å²	69.3	61%	0.607	38%	0.384	S	S	*	.			trans	-101.1	104.8	168.8	-54.9	0	0	0	0	108.7	K78 T412	K78-T80 PolarHBondContact O-N 2.72Å; K78-T80 VanDerWaalsContact O-N 3.08Å; T80-T412 WeakPolarHBondContact O-CA 3.24Å; T80-T412 PolarHBondContact O-OG1 3.38Å
81	P	96.2	Very high	92.4	Very high	58 Å²	58	68.5 Å²	68.5	38%	0.377	38%	0.381	S	S	.	.			trans	-72.3	159.5	-177.5	30	-34.8	0	0	0	112.2	L79 M87 V411	L79-P81 WeakPolarHBondContact O-CD 3.38Å; P81-M87 HydrophobicContact CB-SD 4.2Å; P81-V411 WeakPolarHBondContact CA-O 3.18Å; P81-V411 HydrophobicContact CB-CG1 4.31Å
82	N	96.8	Very high	92.6	Very high	34 Å²	34	64.9 Å²	64.9	18%	0.182	37%	0.372	C	S	.	.			trans	-63.2	121.3	170.5	-178.1	-25.3	0	0	0	109.7	E84 K85 T412 E413 S415	N82-E84 PolarHBondContact O-N 2.91Å; N82-E84 WeakPolarHBondContact OD1-CB 3.42Å; N82-E84 PolarHBondContact OD1-N 3.35Å; N82-K85 HydrophobicContact CB-CB 4.25Å; N82-K85 PolarHBondContact O-N 3.39Å; N82-T412 WeakPolarHBondContact CB-O 3.31Å; N82-T412 PolarHBondContact N-O 3.27Å; N82-E413 PolarHBondContact ND2-O 3.18Å; N82-S415 WeakPolarHBondContact CA-OG 3.24Å; N82-S415 WeakPolarHBondContact CB-OG 3.3Å; N82-S415 PolarHBondContact N-OG 3.24Å; N82-S415 PolarHBondContact O-OG 2.83Å
83	P	96.9	Very high	92.8	Very high	129 Å²	129	63.6 Å²	63.6	84%	0.838	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-18.1	-175.5	28	-35.9	0	0	0	114.1
84	E	97.3	Very high	93.2	Very high	173 Å²	173	64.7 Å²	64.7	81%	0.808	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-14.1	-179.8	-58.3	-176.6	167.4	0	0	112.8	N82	N82-E84 PolarHBondContact O-N 2.91Å; N82-E84 WeakPolarHBondContact OD1-CB 3.42Å; N82-E84 PolarHBondContact OD1-N 3.35Å
85	K	97.4	Very high	93.5	Very high	49 Å²	49	63.6 Å²	63.6	21%	0.213	36%	0.363	C	S	.	.	S	Bend	trans	-115.9	122	-175.5	-73.1	-175.6	173.3	179.4	0	110.3	N82 M87 S415 E450	N82-K85 HydrophobicContact CB-CB 4.25Å; N82-K85 PolarHBondContact O-N 3.39Å; K85-M87 PolarHBondContact O-N 3.47Å; K85-S415 WeakPolarHBondContact O-CB 3.25Å; K85-S415 PolarHBondContact O-OG 3.11Å; K85-E450 IonicContact NZ-OE1 2.64Å; K85-E450 PolarHBondContact NZ-OE1 2.73Å; K85-E450 IonicContact NZ-OE2 3.27Å; K85-E450 PolarHBondContact NZ-OE2 3.42Å
86	P	97.1	Very high	94	Very high	96 Å²	96	60.5 Å²	60.5	62%	0.623	35%	0.349	S	S	*	.			trans	-54.9	139.9	173	-26.1	33.7	0	0	0	111.7	I88 R447	P86-I88 PolarHBondContact O-N 2.81Å; P86-R447 PolarHBondContact O-NH1 2.9Å; P86-R447 PolarHBondContact O-NH2 3.27Å
87	M	97.4	Very high	94.5	Very high	87 Å²	87	61 Å²	61	43%	0.429	34%	0.339	S	S	.	.			trans	-69.9	128	180	-176.1	66.2	166.2	0	0	111.5	P81 K85 V411 S415 F417	P81-M87 HydrophobicContact CB-SD 4.2Å; K85-M87 PolarHBondContact O-N 3.47Å; M87-V411 HydrophobicContact CE-CG1 4.3Å; M87-V411 HydrophobicContact CE-CG2 4.48Å; M87-S415 CarbonylContact C-O 3.56Å; M87-S415 WeakPolarHBondContact CA-O 3.35Å; M87-S415 VanDerWaalsContact SD-O 3.37Å; M87-F417 HydrophobicContact CE-CB 3.35Å; M87-F417 HydrophobicContact CE-CD1 4.19Å; M87-F417 HydrophobicContact CE-CG 4.13Å
88	I	97.8	Very high	94.8	Very high	5 Å²	5	63.5 Å²	63.5	3%	0.026	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	108.7	171	-59.3	173.5	0	0	0	108.4	P86 L90 S415 V416 F417 M440 E443 A444	P86-I88 PolarHBondContact O-N 2.81Å; I88-L90 HydrophobicContact CG2-CD2 3.96Å; I88-L90 HydrophobicContact CG2-CG 4.12Å; I88-L90 PolarHBondContact O-N 2.71Å; I88-S415 PolarHBondContact N-O 2.94Å; I88-V416 HydrophobicContact CB-CG2 4.47Å; I88-V416 WeakPolarHBondContact O-CA 3.28Å; I88-F417 PolarHBondContact O-N 3.44Å; I88-M440 HydrophobicContact CB-CG 4.34Å; I88-M440 HydrophobicContact CD1-CG 4.24Å; I88-M440 HydrophobicContact CG1-CG 4.08Å; I88-M440 HydrophobicContact CG2-CG 3.43Å; I88-M440 VanDerWaalsContact CG2-CG 3.43Å; I88-M440 HydrophobicContact CG2-SD 3.82Å; I88-E443 HydrophobicContact CD1-CB 4.17Å; I88-E443 HydrophobicContact CD1-CG 3.87Å; I88-A444 HydrophobicContact CD1-CB 4.22Å; I88-A444 HydrophobicContact CG2-CB 3.94Å
89	A	95.9	Very high	95.3	Very high	18 Å²	18	58 Å²	58	15%	0.149	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	100.6	-178.9	0	0	0	0	0	111.1	I92	A89-I92 HydrophobicContact CB-CD1 4.05Å; A89-I92 HydrophobicContact CB-CG1 4.46Å
90	L	97.1	Very high	95.7	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	34%	0.339	C	S	.	.			trans	-94.6	4.9	174.9	-60.3	-177.3	0	0	0	113.2	I88 V416 F417 I432 V433 V436 A444 I448	I88-L90 HydrophobicContact CG2-CD2 3.96Å; I88-L90 HydrophobicContact CG2-CG 4.12Å; I88-L90 PolarHBondContact O-N 2.71Å; L90-V416 HydrophobicContact CD1-CG1 3.87Å; L90-V416 HydrophobicContact CG-CG1 4.33Å; L90-F417 CarbonylContact C-O 3.53Å; L90-F417 VanDerWaalsContact C-O 3.3Å; L90-F417 VanDerWaalsContact CA-O 3.3Å; L90-F417 WeakPolarHBondContact CA-O 3.42Å; L90-F417 WeakPolarHBondContact CB-O 3.32Å; L90-F417 PolarHBondContact N-O 3.4Å; L90-I432 HydrophobicContact CB-CG2 4.29Å; L90-I432 HydrophobicContact CD1-CD1 4.36Å; L90-I432 HydrophobicContact CD1-CG1 4.32Å; L90-I432 HydrophobicContact CD1-CG2 4.07Å; L90-V433 WeakPolarHBondContact O-CG1 3.4Å; L90-V433 WeakPolarHBondContact O-CG2 3.26Å; L90-V433 PolarHBondContact O-N 2.9Å; L90-V436 HydrophobicContact CD2-CB 4.39Å; L90-V436 HydrophobicContact CD2-CG1 3.73Å; L90-V436 HydrophobicContact CD2-CG2 3.79Å; L90-A444 HydrophobicContact CD1-CB 3.75Å; L90-A444 HydrophobicContact CD2-CB 4.45Å; L90-A444 HydrophobicContact CG-CB 4.38Å; L90-I448 HydrophobicContact CD1-CD1 4.41Å
91	S	94.5	Very high	95.9	Very high	12 Å²	12	53.3 Å²	53.3	8%	0.084	31%	0.313	C	S	.	.			trans	-96.4	-17.7	-173.6	62	0	0	0	0	114	F417 R431	S91-F417 PolarHBondContact N-O 2.9Å; S91-F417 WeakPolarHBondContact OG-CD1 3.43Å; S91-F417 WeakPolarHBondContact OG-CE1 3.35Å; S91-R431 PolarHBondContact O-NH2 3.23Å
92	I	90.6	Very high	96	Very high	76 Å²	76	54.7 Å²	54.7	39%	0.39	32%	0.321	S	S	.	.			trans	-88.1	115.9	-169.8	-56	172.9	0	0	0	110.7	A89 D94 V97 V433	A89-I92 HydrophobicContact CB-CD1 4.05Å; A89-I92 HydrophobicContact CB-CG1 4.46Å; I92-D94 HydrophobicContact CG2-CB 4.02Å; I92-D94 PolarHBondContact O-N 3.31Å; I92-D94 VanDerWaalsContact O-N 3.12Å; I92-V97 HydrophobicContact CG2-CG2 3.95Å; I92-V433 WeakPolarHBondContact O-CG1 3.44Å
93	G	91.9	Very high	96.1	Very high	22 Å²	22	54.4 Å²	54.4	23%	0.227	32%	0.321	C	S	.	.			trans	-79.5	17.2	-177.3	0	0	0	0	0	116.4	K294 Y387	G93-K294 PolarHBondContact O-NZ 3.26Å; G93-Y387 PolarHBondContact O-OH 3.01Å
94	D	95.5	Very high	96.2	Very high	54 Å²	54	49.9 Å²	49.9	29%	0.289	29%	0.29	S	S	.	.			trans	-96.8	113.3	176.4	-178.3	-5.4	0	0	0	109.2	I92 T96 V97 P299	I92-D94 HydrophobicContact CG2-CB 4.02Å; I92-D94 PolarHBondContact O-N 3.31Å; I92-D94 VanDerWaalsContact O-N 3.12Å; D94-T96 PolarHBondContact O-N 3.39Å; D94-T96 PolarHBondContact OD1-N 3.19Å; D94-T96 PolarHBondContact OD1-OG1 3.01Å; D94-T96 VanDerWaalsContact OD1-OG1 3.05Å; D94-V97 HydrophobicContact CB-CG2 3.76Å; D94-V97 WeakPolarHBondContact O-CG2 3.48Å; D94-P299 WeakPolarHBondContact OD1-CG 3.25Å
95	P	94.4	Very high	96.2	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.006	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-14.3	-176.6	30.7	-37.1	0	0	0	113.6	L101 L297 M386 T435	P95-L101 HydrophobicContact CB-CD1 4.21Å; P95-L297 HydrophobicContact CB-CD2 3.81Å; P95-L297 HydrophobicContact CG-CD2 3.78Å; P95-M386 HydrophobicContact CB-CE 4.18Å; P95-M386 HydrophobicContact CB-SD 4.1Å; P95-M386 HydrophobicContact CG-CE 4.11Å; P95-M386 HydrophobicContact CG-SD 4.2Å; P95-T435 HydrophobicContact CB-CG2 3.94Å
96	T	96.6	Very high	96.3	Very high	56 Å²	56	53.2 Å²	53.2	34%	0.344	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-4.7	-172.2	69.1	0	0	0	0	114.2	D94 F98 G99 L297 P299	D94-T96 PolarHBondContact O-N 3.39Å; D94-T96 PolarHBondContact OD1-N 3.19Å; D94-T96 PolarHBondContact OD1-OG1 3.01Å; D94-T96 VanDerWaalsContact OD1-OG1 3.05Å; T96-F98 VanDerWaalsContact C-N 3.28Å; T96-F98 PolarHBondContact O-N 3.41Å; T96-G99 PolarHBondContact O-N 3.32Å; T96-G99 VanDerWaalsContact O-N 3.13Å; T96-L297 WeakPolarHBondContact CG2-O 3.41Å; T96-P299 HydrophobicContact CG2-CG 4.5Å
97	V	96	Very high	96.4	Very high	70 Å²	70	48.6 Å²	48.6	42%	0.424	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-38.8	-170.4	171.5	0	0	0	0	113.2	I92 D94	I92-V97 HydrophobicContact CG2-CG2 3.95Å; D94-V97 HydrophobicContact CB-CG2 3.76Å; D94-V97 WeakPolarHBondContact O-CG2 3.48Å
98	F	93.9	Very high	96.4	Very high	68 Å²	68	47.3 Å²	47.3	30%	0.298	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-0.3	-175.8	-53.9	-83	0	0	0	113.2	T96 N100 V436 P437 M440	T96-F98 VanDerWaalsContact C-N 3.28Å; T96-F98 PolarHBondContact O-N 3.41Å; F98-N100 WeakPolarHBondContact CB-OD1 3.37Å; F98-N100 PolarHBondContact O-N 2.97Å; F98-N100 VanDerWaalsContact O-N 3.1Å; F98-V436 HydrophobicContact CD2-CG1 4.19Å; F98-V436 HydrophobicContact CE2-CB 4.33Å; F98-V436 HydrophobicContact CE2-CG1 3.55Å; F98-V436 HydrophobicContact CZ-CG1 3.95Å; F98-P437 HydrophobicContact CB-CG 4.21Å; F98-M440 HydrophobicContact CD1-CE 3.91Å; F98-M440 HydrophobicContact CD1-SD 4.17Å; F98-M440 HydrophobicContact CE1-CE 3.83Å; F98-M440 HydrophobicContact CE1-SD 3.68Å; F98-M440 HydrophobicContact CZ-SD 4Å
99	G	95.3	Very high	96.5	Very high	53 Å²	53	50.4 Å²	50.4	55%	0.546	29%	0.286	S	S	.	.	S	Bend	trans	69.5	-0.8	179.3	0	0	0	0	0	115.9	T96 L101	T96-G99 PolarHBondContact O-N 3.32Å; T96-G99 VanDerWaalsContact O-N 3.13Å; G99-L101 VanDerWaalsContact C-N 3.32Å
100	N	97.6	Very high	96.6	Very high	50 Å²	50	49.7 Å²	49.7	27%	0.267	28%	0.28	S	S	.	.	S	Bend	trans	-76.8	-16.8	178.1	64.9	-52	0	0	0	113.7	F98 P102 F359 T435 P437	F98-N100 WeakPolarHBondContact CB-OD1 3.37Å; F98-N100 PolarHBondContact O-N 2.97Å; F98-N100 VanDerWaalsContact O-N 3.1Å; N100-P102 WeakPolarHBondContact O-CD 3.45Å; N100-F359 VanDerWaalsContact ND2-CZ 3.25Å; N100-F359 WeakPolarHBondContact ND2-CZ 3.42Å; N100-T435 PolarHBondContact ND2-O 2.99Å; N100-P437 HydrophobicContact CB-CG 4.22Å
101	L	98.2	Very high	96.7	Very high	9 Å²	9	50.9 Å²	50.9	5%	0.047	29%	0.286	C	S	.	.	S	Bend	trans	-120.7	67.9	176	-70.3	174.9	0	0	0	110.4	P95 G99 L297 F359 L360 T435	P95-L101 HydrophobicContact CB-CD1 4.21Å; G99-L101 VanDerWaalsContact C-N 3.32Å; L101-L297 HydrophobicContact CB-CD1 3.99Å; L101-L297 HydrophobicContact CB-CD2 4.47Å; L101-F359 HydrophobicContact CD1-CD1 4.14Å; L101-F359 HydrophobicContact CD1-CE1 3.94Å; L101-F359 HydrophobicContact CD2-CD1 3.75Å; L101-F359 HydrophobicContact CD2-CE1 4.14Å; L101-F359 HydrophobicContact CD2-CG 4.27Å; L101-F359 HydrophobicContact CG-CD1 4.25Å; L101-F359 HydrophobicContact CG-CE1 4.15Å; L101-L360 HydrophobicContact CD1-CD2 4.47Å; L101-T435 HydrophobicContact CD1-CG2 4.03Å
102	P	98.3	Very high	96.9	Very high	86 Å²	86	55.1 Å²	55.1	56%	0.558	30%	0.303	S	S	*	.	P	Polyproline II helix	trans	-72.7	154.3	172.4	33.3	-34.8	0	0	0	110.6	N100	N100-P102 WeakPolarHBondContact O-CD 3.45Å
103	T	98.7	Very high	97.3	Very high	28 Å²	28	55.4 Å²	55.4	17%	0.172	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-66.3	157.7	167.7	-173.4	0	0	0	0	111.4	V107 W296 V298	T103-V107 HydrophobicContact CG2-CG1 4.48Å; T103-V107 VanDerWaalsContact OG1-CB 3.28Å; T103-V107 WeakPolarHBondContact OG1-CB 3.42Å; T103-V107 VanDerWaalsContact OG1-CG1 3.3Å; T103-V107 WeakPolarHBondContact OG1-CG1 3.37Å; T103-W296 WeakPolarHBondContact CB-O 3.18Å; T103-W296 PolarHBondContact OG1-O 3.06Å; T103-W296 VanDerWaalsContact OG1-O 3.06Å; T103-V298 HydrophobicContact CG2-CG1 3.87Å
104	D	98.6	Very high	97.6	Very high	35 Å²	35	54.5 Å²	54.5	19%	0.187	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-61.9	148.3	174.3	-167.3	-93	0	0	0	112.6	K106 V107 T108 T348 P349 F352	D104-K106 PolarHBondContact O-N 3.46Å; D104-K106 WeakPolarHBondContact OD1-CB 3.33Å; D104-K106 WeakPolarHBondContact OD1-CG 3.04Å; D104-K106 PolarHBondContact OD1-N 3.35Å; D104-V107 HydrophobicContact CB-CG2 4.09Å; D104-V107 WeakPolarHBondContact O-CB 3.38Å; D104-V107 PolarHBondContact O-N 3.17Å; D104-V107 VanDerWaalsContact O-N 3.11Å; D104-T108 PolarHBondContact O-N 2.85Å; D104-T348 HydrophobicContact CB-CG2 4.29Å; D104-P349 WeakPolarHBondContact OD1-CD 3.42Å; D104-P349 WeakPolarHBondContact OD2-CG 3.43Å; D104-F352 HydrophobicContact CB-CB 4.11Å; D104-F352 HydrophobicContact CB-CD1 4.38Å; D104-F352 HydrophobicContact CB-CD2 3.69Å; D104-F352 HydrophobicContact CB-CE2 4.18Å; D104-F352 HydrophobicContact CB-CG 3.79Å
105	E	98.3	Very high	97.8	Very high	168 Å²	168	56 Å²	56	79%	0.785	30%	0.303	S	S	*	.	H	α-helix	trans	-61.2	-32.6	178.4	-67.1	-175.9	173.1	0	0	112.4	V107 T108 Q109	E105-V107 VanDerWaalsContact C-N 3.3Å; E105-V107 PolarHBondContact O-N 3.1Å; E105-T108 PolarHBondContact O-N 3.5Å; E105-Q109 WeakPolarHBondContact O-CB 3.24Å; E105-Q109 PolarHBondContact O-N 3Å
106	K	98.5	Very high	98	Very high	123 Å²	123	61.1 Å²	61.1	54%	0.535	33%	0.331	S	S	.	.	H	α-helix	trans	-63.2	-36.9	175.6	-66.1	-66.1	-174.3	176.6	0	112.1	D104 Q109 A110	D104-K106 PolarHBondContact O-N 3.46Å; D104-K106 WeakPolarHBondContact OD1-CB 3.33Å; D104-K106 WeakPolarHBondContact OD1-CG 3.04Å; D104-K106 PolarHBondContact OD1-N 3.35Å; K106-Q109 PolarHBondContact O-N 2.86Å; K106-A110 WeakPolarHBondContact O-CB 3.41Å; K106-A110 PolarHBondContact O-N 2.95Å
107	V	98.8	Very high	98.1	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-65.3	-43.9	176	179.1	0	0	0	0	110.2	T103 D104 E105 L111 W301 I344 T348	T103-V107 HydrophobicContact CG2-CG1 4.48Å; T103-V107 VanDerWaalsContact OG1-CB 3.28Å; T103-V107 WeakPolarHBondContact OG1-CB 3.42Å; T103-V107 VanDerWaalsContact OG1-CG1 3.3Å; T103-V107 WeakPolarHBondContact OG1-CG1 3.37Å; D104-V107 HydrophobicContact CB-CG2 4.09Å; D104-V107 WeakPolarHBondContact O-CB 3.38Å; D104-V107 PolarHBondContact O-N 3.17Å; D104-V107 VanDerWaalsContact O-N 3.11Å; E105-V107 VanDerWaalsContact C-N 3.3Å; E105-V107 PolarHBondContact O-N 3.1Å; V107-L111 PolarHBondContact O-N 3.34Å; V107-W301 HydrophobicContact CG1-CH2 3.72Å; V107-W301 HydrophobicContact CG1-CZ3 3.51Å; V107-I344 HydrophobicContact CG1-CD1 4.31Å; V107-I344 HydrophobicContact CG1-CG1 4.12Å; V107-I344 HydrophobicContact CG1-CG2 4.27Å; V107-I344 HydrophobicContact CG2-CG2 4.4Å; V107-T348 HydrophobicContact CG2-CG2 4.15Å; V107-T348 VanDerWaalsContact CG2-OG1 3.23Å; V107-T348 WeakPolarHBondContact CG2-OG1 3.4Å
108	T	98.8	Very high	98.2	Very high	60 Å²	60	62.7 Å²	62.7	37%	0.368	34%	0.338	S	S	.	.	H	α-helix	trans	-66.3	-42.3	176.1	-59.3	0	0	0	0	111.7	D104 E105 L111 K112	D104-T108 PolarHBondContact O-N 2.85Å; E105-T108 PolarHBondContact O-N 3.5Å; T108-L111 PolarHBondContact O-N 2.92Å; T108-K112 HydrophobicContact CG2-CD 4.4Å; T108-K112 PolarHBondContact O-N 2.93Å
109	Q	98.8	Very high	98.4	Very high	69 Å²	69	67.3 Å²	67.3	32%	0.322	36%	0.358	S	S	.	.	H	α-helix	trans	-66	-38.1	179.7	-170.3	57.1	45.8	0	0	111.6	E105 K106 L111 K112 D113	E105-Q109 WeakPolarHBondContact O-CB 3.24Å; E105-Q109 PolarHBondContact O-N 3Å; K106-Q109 PolarHBondContact O-N 2.86Å; Q109-L111 VanDerWaalsContact C-N 3.28Å; Q109-L111 PolarHBondContact O-N 3.16Å; Q109-K112 WeakPolarHBondContact O-CB 3.49Å; Q109-K112 PolarHBondContact O-N 3.5Å; Q109-D113 PolarHBondContact NE2-OD1 3.2Å; Q109-D113 PolarHBondContact O-N 2.9Å
110	A	98.8	Very high	98.5	Very high	4 Å²	4	67 Å²	67	3%	0.033	34%	0.34	C	S	.	.	H	α-helix	trans	-57.7	-38.8	174.7	0	0	0	0	0	112.7	K106 A114 A340 I344	K106-A110 WeakPolarHBondContact O-CB 3.41Å; K106-A110 PolarHBondContact O-N 2.95Å; A110-A114 WeakPolarHBondContact O-CB 3.49Å; A110-A114 PolarHBondContact O-N 3.35Å; A110-A340 HydrophobicContact CB-CB 4.02Å; A110-A340 WeakPolarHBondContact O-CB 3.44Å; A110-I344 HydrophobicContact CB-CG1 3.83Å
111	L	98.7	Very high	98.6	Very high	25 Å²	25	69.2 Å²	69.2	13%	0.131	35%	0.352	C	S	.	.	H	α-helix	trans	-65.6	-44.5	173.2	-99.5	72.3	0	0	0	112	V107 T108 Q109 D113 A114 I115 W301 I336 V337 A340 I344	V107-L111 PolarHBondContact O-N 3.34Å; T108-L111 PolarHBondContact O-N 2.92Å; Q109-L111 VanDerWaalsContact C-N 3.28Å; Q109-L111 PolarHBondContact O-N 3.16Å; L111-D113 VanDerWaalsContact C-N 3.34Å; L111-A114 PolarHBondContact O-N 3.47Å; L111-I115 WeakPolarHBondContact O-CG1 3.46Å; L111-I115 PolarHBondContact O-N 3.35Å; L111-W301 HydrophobicContact CD1-CE3 3.69Å; L111-W301 HydrophobicContact CD1-CH2 3.5Å; L111-W301 VanDerWaalsContact CD1-CH2 3.5Å; L111-W301 HydrophobicContact CD1-CZ2 4.38Å; L111-W301 HydrophobicContact CD1-CZ3 3.1Å; L111-W301 HydrophobicContact CD2-CD2 3.89Å; L111-W301 HydrophobicContact CD2-CE3 3.87Å; L111-W301 HydrophobicContact CD2-CH2 3.64Å; L111-W301 HydrophobicContact CD2-CZ2 3.66Å; L111-W301 HydrophobicContact CD2-CZ3 3.77Å; L111-W301 HydrophobicContact CG-CE3 4.42Å; L111-W301 HydrophobicContact CG-CH2 4.08Å; L111-W301 HydrophobicContact CG-CZ3 4.03Å; L111-I336 HydrophobicContact CG-CG2 4.49Å; L111-V337 HydrophobicContact CD2-CG2 4.45Å; L111-A340 HydrophobicContact CD1-CB 3.68Å; L111-A340 HydrophobicContact CG-CB 4.3Å; L111-I344 HydrophobicContact CD1-CD1 3.77Å
112	K	98.9	Very high	98.5	Very high	101 Å²	101	71 Å²	71	44%	0.439	37%	0.372	S	S	.	.	H	α-helix	trans	-60.7	-46	178.2	-68.4	168.2	63.7	-160.3	0	110.6	T108 Q109 A114 I115 D116	T108-K112 HydrophobicContact CG2-CD 4.4Å; T108-K112 PolarHBondContact O-N 2.93Å; Q109-K112 WeakPolarHBondContact O-CB 3.49Å; Q109-K112 PolarHBondContact O-N 3.5Å; K112-A114 VanDerWaalsContact C-N 3.31Å; K112-A114 PolarHBondContact O-N 3.07Å; K112-I115 WeakPolarHBondContact O-CB 3.42Å; K112-I115 PolarHBondContact O-N 3.37Å; K112-I115 VanDerWaalsContact O-N 3.12Å; K112-D116 WeakPolarHBondContact O-CB 3.18Å; K112-D116 VanDerWaalsContact O-CG 3.25Å; K112-D116 PolarHBondContact O-N 2.98Å
113	D	98.8	Very high	98.6	Very high	81 Å²	81	77.4 Å²	77.4	43%	0.433	39%	0.387	S	S	.	.	H	α-helix	trans	-61.7	-39.9	177.6	-63.9	-19.7	0	0	0	111.5	Q109 L111 D116 S117	Q109-D113 PolarHBondContact NE2-OD1 3.2Å; Q109-D113 PolarHBondContact O-N 2.9Å; L111-D113 VanDerWaalsContact C-N 3.34Å; D113-D116 PolarHBondContact O-N 2.99Å; D113-S117 WeakPolarHBondContact O-CB 3.26Å; D113-S117 PolarHBondContact O-N 3.41Å
114	A	98.7	Very high	98.5	Very high	4 Å²	4	77.2 Å²	77.2	3%	0.033	39%	0.388	C	S	.	.	H	α-helix	trans	-62.7	-41.5	174.7	0	0	0	0	0	112.1	A110 L111 K112 S117 Y120 I336 A340	A110-A114 WeakPolarHBondContact O-CB 3.49Å; A110-A114 PolarHBondContact O-N 3.35Å; L111-A114 PolarHBondContact O-N 3.47Å; K112-A114 VanDerWaalsContact C-N 3.31Å; K112-A114 PolarHBondContact O-N 3.07Å; A114-S117 PolarHBondContact O-OG 2.99Å; A114-Y120 HydrophobicContact CB-CD2 4.05Å; A114-Y120 HydrophobicContact CB-CE2 4.45Å; A114-I336 HydrophobicContact CB-CG2 4.27Å; A114-A340 HydrophobicContact CB-CB 4.07Å
115	I	98.7	Very high	98.5	Very high	85 Å²	85	78.9 Å²	78.9	44%	0.436	40%	0.401	S	S	.	.	H	α-helix	trans	-64.8	-53.1	175	-67.4	166.3	0	0	0	110.6	L111 K112 S117 N118 I336	L111-I115 WeakPolarHBondContact O-CG1 3.46Å; L111-I115 PolarHBondContact O-N 3.35Å; K112-I115 WeakPolarHBondContact O-CB 3.42Å; K112-I115 PolarHBondContact O-N 3.37Å; K112-I115 VanDerWaalsContact O-N 3.12Å; I115-S117 PolarHBondContact O-N 3.18Å; I115-N118 PolarHBondContact O-N 3.14Å; I115-I336 HydrophobicContact CD1-CG2 4.14Å; I115-I336 HydrophobicContact CG1-CD1 4.23Å; I115-I336 HydrophobicContact CG1-CG1 4.44Å; I115-I336 HydrophobicContact CG1-CG2 3.54Å
116	D	98.7	Very high	98.5	Very high	109 Å²	109	71.5 Å²	71.5	58%	0.583	37%	0.368	S	S	*	.	H	α-helix	trans	-61.4	-30.4	-176.3	-69.1	-21.2	0	0	0	111.7	K112 D113 N118	K112-D116 WeakPolarHBondContact O-CB 3.18Å; K112-D116 VanDerWaalsContact O-CG 3.25Å; K112-D116 PolarHBondContact O-N 2.98Å; D113-D116 PolarHBondContact O-N 2.99Å; D116-N118 PolarHBondContact O-N 3.3Å; D116-N118 PolarHBondContact O-ND2 2.71Å
117	S	98.4	Very high	98.6	Very high	43 Å²	43	66.6 Å²	66.6	30%	0.301	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-24.9	175.5	81.8	0	0	0	0	113.9	D113 A114 I115 K119	D113-S117 WeakPolarHBondContact O-CB 3.26Å; D113-S117 PolarHBondContact O-N 3.41Å; A114-S117 PolarHBondContact O-OG 2.99Å; I115-S117 PolarHBondContact O-N 3.18Å; S117-K119 PolarHBondContact O-N 3.39Å; S117-K119 PolarHBondContact OG-N 3.04Å
118	N	97.9	Very high	98.6	Very high	115 Å²	115	66.6 Å²	66.6	62%	0.615	35%	0.348	S	S	*	.			trans	55.6	12.3	-171.6	-67.1	-77.6	0	0	0	115.4	I115 D116 N121	I115-N118 PolarHBondContact O-N 3.14Å; D116-N118 PolarHBondContact O-N 3.3Å; D116-N118 PolarHBondContact O-ND2 2.71Å; N118-N121 PolarHBondContact OD1-ND2 3.19Å
119	K	98.4	Very high	98.6	Very high	165 Å²	165	65.8 Å²	65.8	72%	0.717	34%	0.339	S	S	*	.	S	Bend	trans	-84.4	-18.9	-177.1	-67.6	178.9	-176.3	175.2	0	113.7	S117	S117-K119 PolarHBondContact O-N 3.39Å; S117-K119 PolarHBondContact OG-N 3.04Å
120	Y	98.4	Very high	98.5	Very high	46 Å²	46	67.2 Å²	67.2	18%	0.18	35%	0.345	C	S	.	.	S	Bend	trans	-113.8	22	-169.3	-56.5	-71.6	0	0	0	113.6	A114 Y129 T335 G339	A114-Y120 HydrophobicContact CB-CD2 4.05Å; A114-Y120 HydrophobicContact CB-CE2 4.45Å; Y120-Y129 HydrophobicContact CD1-CD2 4.19Å; Y120-Y129 AromaticContact CD1-CE2 3.74Å; Y120-Y129 HydrophobicContact CD1-CE2 3.74Å; Y120-Y129 HydrophobicContact CE1-CE2 4.47Å; Y120-T335 WeakPolarHBondContact O-CB 3.49Å; Y120-T335 PolarHBondContact O-OG1 3.4Å; Y120-G339 VanDerWaalsContact CZ-CA 3.49Å
121	N	98.3	Very high	98.5	Very high	98 Å²	98	72 Å²	72	52%	0.524	37%	0.366	S	S	.	.	S	Bend	trans	-85.8	-20.5	-179.8	-63.3	-12.8	0	0	0	113.2	N118 I336	N118-N121 PolarHBondContact OD1-ND2 3.19Å; N121-I336 WeakPolarHBondContact OD1-CD1 3.22Å
122	G	98.1	Very high	98.5	Very high	45 Å²	45	71.1 Å²	71.1	46%	0.464	36%	0.361	S	S	.	.	S	Bend	trans	-87.3	173.8	-177.5	0	0	0	0	0	113.6	Y129 T335	G122-Y129 PolarHBondContact O-OH 3.26Å; G122-T335 WeakPolarHBondContact O-CG2 3.4Å
123	Y	98.4	Very high	98.5	Very high	222 Å²	222	67.6 Å²	67.6	87%	0.871	35%	0.345	S	S	*	.	P	Polyproline II helix	trans	-64	138.6	175.3	-69.1	-66.3	0	0	0	112.2
124	A	98.3	Very high	98.5	Very high	23 Å²	23	66.4 Å²	66.4	19%	0.19	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-96.4	165	167.9	0	0	0	0	0	111	Y129 T335	A124-Y129 HydrophobicContact CB-CD1 3.88Å; A124-Y129 HydrophobicContact CB-CD2 4.05Å; A124-Y129 HydrophobicContact CB-CE1 3.66Å; A124-Y129 HydrophobicContact CB-CE2 3.84Å; A124-Y129 HydrophobicContact CB-CG 4.06Å; A124-T335 HydrophobicContact CB-CG2 3.86Å
125	P	98.6	Very high	98.5	Very high	70 Å²	70	66.9 Å²	66.9	46%	0.455	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-51.9	143.9	159.1	-22.8	34	0	0	0	110.3	V127 G128	P125-V127 HydrophobicContact CB-CG2 4.33Å; P125-V127 PolarHBondContact O-N 3.26Å; P125-V127 VanDerWaalsContact O-N 3.08Å; P125-G128 WeakPolarHBondContact O-CA 3.46Å; P125-G128 PolarHBondContact O-N 3.19Å
126	S	98.6	Very high	98.6	Very high	14 Å²	14	62.8 Å²	62.8	10%	0.098	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-23.9	-175.3	65.9	0	0	0	0	114.8	G128 S327 Q328 G332	S126-G128 VanDerWaalsContact C-N 3.31Å; S126-S327 PolarHBondContact OG-OG 2.9Å; S126-Q328 VanDerWaalsContact OG-CG 3.27Å; S126-Q328 WeakPolarHBondContact OG-CG 3.3Å; S126-G332 VanDerWaalsContact O-CA 3.28Å; S126-G332 WeakPolarHBondContact O-CA 3.32Å; S126-G332 PolarHBondContact O-N 3.19Å
127	V	98.6	Very high	98.6	Very high	19 Å²	19	57.7 Å²	57.7	12%	0.115	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-5.7	173.8	-64.5	0	0	0	0	113.5	P125 R133 V153 L154 V324 S327	P125-V127 HydrophobicContact CB-CG2 4.33Å; P125-V127 PolarHBondContact O-N 3.26Å; P125-V127 VanDerWaalsContact O-N 3.08Å; V127-R133 WeakPolarHBondContact O-CD 3.37Å; V127-V153 HydrophobicContact CB-CG1 4.26Å; V127-V153 HydrophobicContact CG1-CG1 4.17Å; V127-V153 HydrophobicContact CG1-CG2 4.42Å; V127-L154 PolarHBondContact O-N 2.87Å; V127-V324 HydrophobicContact CG1-CB 4.38Å; V127-V324 HydrophobicContact CG1-CG2 3.94Å; V127-S327 WeakPolarHBondContact CG1-OG 3.3Å
128	G	98.8	Very high	98.6	Very high	0 Å²	0	61 Å²	61	0%	0	31%	0.308	C	S	.	.			trans	104.6	161.3	-175.5	0	0	0	0	0	114.4	P125 S126 R133	P125-G128 WeakPolarHBondContact O-CA 3.46Å; P125-G128 PolarHBondContact O-N 3.19Å; S126-G128 VanDerWaalsContact C-N 3.31Å; G128-R133 PolarHBondContact O-NE 3.31Å
129	Y	98.8	Very high	98.6	Very high	44 Å²	44	58.6 Å²	58.6	17%	0.173	29%	0.292	C	S	.	.			trans	-57.1	141.8	174.8	-71.5	-61.6	0	0	0	111.2	Y120 G122 A124 K131 S132 R133 T335 Q338	Y120-Y129 HydrophobicContact CD1-CD2 4.19Å; Y120-Y129 AromaticContact CD1-CE2 3.74Å; Y120-Y129 HydrophobicContact CD1-CE2 3.74Å; Y120-Y129 HydrophobicContact CE1-CE2 4.47Å; G122-Y129 PolarHBondContact O-OH 3.26Å; A124-Y129 HydrophobicContact CB-CD1 3.88Å; A124-Y129 HydrophobicContact CB-CD2 4.05Å; A124-Y129 HydrophobicContact CB-CE1 3.66Å; A124-Y129 HydrophobicContact CB-CE2 3.84Å; A124-Y129 HydrophobicContact CB-CG 4.06Å; Y129-K131 PolarHBondContact O-N 2.79Å; Y129-S132 PolarHBondContact O-N 2.72Å; Y129-R133 PolarHBondContact O-N 3Å; Y129-T335 HydrophobicContact CE2-CG2 3.98Å; Y129-Q338 HydrophobicContact CD2-CB 3.98Å
130	Q	98.6	Very high	98.6	Very high	99 Å²	99	53.5 Å²	53.5	46%	0.463	27%	0.268	S	S	.	.	H	α-helix	trans	-53.4	-54	176.7	-176.4	62.6	48.2	0	0	111	S132 R133 D134	Q130-S132 VanDerWaalsContact C-N 3.31Å; Q130-S132 PolarHBondContact O-N 3.04Å; Q130-R133 WeakPolarHBondContact O-CA 3.38Å; Q130-R133 WeakPolarHBondContact O-CB 3.42Å; Q130-R133 PolarHBondContact O-N 3Å; Q130-D134 PolarHBondContact NE2-OD1 2.89Å; Q130-D134 PolarHBondContact O-N 2.86Å; Q130-D134 VanDerWaalsContact O-OD2 3.13Å
131	K	98.4	Very high	98.6	Very high	105 Å²	105	53.6 Å²	53.6	46%	0.457	28%	0.276	S	S	.	.	H	α-helix	trans	-55.6	-43.7	179.5	-171	179.8	-179.9	-165.4	0	112.8	Y129 R133 D134 V135 E342	Y129-K131 PolarHBondContact O-N 2.79Å; K131-R133 VanDerWaalsContact C-N 3.34Å; K131-R133 PolarHBondContact O-N 3.08Å; K131-D134 WeakPolarHBondContact CA-OD2 3.36Å; K131-D134 PolarHBondContact O-N 2.91Å; K131-V135 VanDerWaalsContact O-CG2 3.3Å; K131-V135 WeakPolarHBondContact O-CG2 3.35Å; K131-V135 PolarHBondContact O-N 3.29Å; K131-E342 WeakPolarHBondContact CE-OE2 3.47Å; K131-E342 IonicContact NZ-OE1 3.41Å; K131-E342 IonicContact NZ-OE2 3.94Å; K131-E342 PolarHBondContact NZ-OE2 3.3Å
132	S	98.8	Very high	98.6	Very high	5 Å²	5	51 Å²	51	4%	0.035	26%	0.264	C	S	.	.	H	α-helix	trans	-65.7	-37.3	179.2	-56.9	0	0	0	0	112.1	Y129 Q130 V136 Q338	Y129-S132 PolarHBondContact O-N 2.72Å; Q130-S132 VanDerWaalsContact C-N 3.31Å; Q130-S132 PolarHBondContact O-N 3.04Å; S132-V136 WeakPolarHBondContact O-CG2 3.22Å; S132-V136 PolarHBondContact O-N 3.23Å; S132-Q338 PolarHBondContact OG-O 3.14Å
133	R	98.9	Very high	98.6	Very high	27 Å²	27	54.5 Å²	54.5	10%	0.102	28%	0.279	C	S	.	.	H	α-helix	trans	-69	-39.9	173.3	-72.4	-172.6	-72.3	120.7	2.7	112.3	V127 G128 Y129 Q130 K131 V135 V136 A137 A149 V152 L154	V127-R133 WeakPolarHBondContact O-CD 3.37Å; G128-R133 PolarHBondContact O-NE 3.31Å; Y129-R133 PolarHBondContact O-N 3Å; Q130-R133 WeakPolarHBondContact O-CA 3.38Å; Q130-R133 WeakPolarHBondContact O-CB 3.42Å; Q130-R133 PolarHBondContact O-N 3Å; K131-R133 VanDerWaalsContact C-N 3.34Å; K131-R133 PolarHBondContact O-N 3.08Å; R133-V135 VanDerWaalsContact C-N 3.32Å; R133-V135 PolarHBondContact O-N 3.33Å; R133-V136 PolarHBondContact O-N 3.34Å; R133-A137 WeakPolarHBondContact O-CB 3.39Å; R133-A137 PolarHBondContact O-N 2.93Å; R133-A149 HydrophobicContact CB-CB 3.84Å; R133-A149 PolarHBondContact NH1-O 3.41Å; R133-V152 HydrophobicContact CB-CB 4.08Å; R133-V152 HydrophobicContact CB-CG1 4.23Å; R133-V152 WeakPolarHBondContact CD-O 3.38Å; R133-V152 HydrophobicContact CG-CB 4.13Å; R133-V152 HydrophobicContact CG-CG1 4Å; R133-L154 HydrophobicContact CG-CD1 4.25Å; R133-L154 HydrophobicContact CG-CD2 4.4Å; R133-L154 HydrophobicContact CG-CG 3.9Å
134	D	98.9	Very high	98.6	Very high	57 Å²	57	49.3 Å²	49.3	31%	0.305	26%	0.263	S	S	.	.	H	α-helix	trans	-58.2	-45.5	175.5	-59.4	-40.2	0	0	0	110.7	Q130 K131 A137 N138 A149	Q130-D134 PolarHBondContact NE2-OD1 2.89Å; Q130-D134 PolarHBondContact O-N 2.86Å; Q130-D134 VanDerWaalsContact O-OD2 3.13Å; K131-D134 WeakPolarHBondContact CA-OD2 3.36Å; K131-D134 PolarHBondContact O-N 2.91Å; D134-A137 PolarHBondContact O-N 3.05Å; D134-N138 WeakPolarHBondContact O-CB 3.39Å; D134-N138 PolarHBondContact O-N 3.02Å; D134-N138 PolarHBondContact O-ND2 2.81Å; D134-A149 HydrophobicContact CB-CB 4.45Å; D134-A149 WeakPolarHBondContact OD1-CB 3.32Å
135	V	98.8	Very high	98.6	Very high	13 Å²	13	48.3 Å²	48.3	8%	0.079	25%	0.254	C	S	.	.	H	α-helix	trans	-60.2	-48.6	177.5	172.9	0	0	0	0	111.1	K131 R133 N138 F139 I341 E342 L345	K131-V135 VanDerWaalsContact O-CG2 3.3Å; K131-V135 WeakPolarHBondContact O-CG2 3.35Å; K131-V135 PolarHBondContact O-N 3.29Å; R133-V135 VanDerWaalsContact C-N 3.32Å; R133-V135 PolarHBondContact O-N 3.33Å; V135-N138 PolarHBondContact O-N 2.91Å; V135-F139 WeakPolarHBondContact O-CB 3.33Å; V135-F139 PolarHBondContact O-N 2.84Å; V135-I341 HydrophobicContact CB-CG2 4.38Å; V135-I341 HydrophobicContact CG1-CG2 4.37Å; V135-E342 HydrophobicContact CG1-CB 4.33Å; V135-E342 HydrophobicContact CG2-CB 3.86Å; V135-E342 HydrophobicContact CG2-CG 3.85Å; V135-L345 HydrophobicContact CG1-CB 4.35Å; V135-L345 HydrophobicContact CG1-CD1 3.91Å
136	V	98.9	Very high	98.6	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-63.7	-43.9	180	172.1	0	0	0	0	110.9	S132 R133 F139 Y140 V152 L154 W305 L307 I341 L345	S132-V136 WeakPolarHBondContact O-CG2 3.22Å; S132-V136 PolarHBondContact O-N 3.23Å; R133-V136 PolarHBondContact O-N 3.34Å; V136-F139 PolarHBondContact O-N 3.21Å; V136-Y140 HydrophobicContact CG1-CD2 4.05Å; V136-Y140 HydrophobicContact CG1-CE2 4.33Å; V136-Y140 WeakPolarHBondContact O-CD2 3.35Å; V136-Y140 PolarHBondContact O-N 3.01Å; V136-V152 HydrophobicContact CB-CG1 4.07Å; V136-V152 HydrophobicContact CG1-CG1 3.82Å; V136-V152 HydrophobicContact CG1-CG2 4.34Å; V136-L154 HydrophobicContact CG2-CD2 4.07Å; V136-W305 HydrophobicContact CG1-CB 4.33Å; V136-W305 HydrophobicContact CG1-CD2 3.96Å; V136-W305 HydrophobicContact CG1-CE3 4.4Å; V136-W305 HydrophobicContact CG1-CG 3.9Å; V136-W305 HydrophobicContact CG2-CE3 4.14Å; V136-W305 HydrophobicContact CG2-CZ3 4.48Å; V136-L307 HydrophobicContact CG1-CD2 3.76Å; V136-I341 HydrophobicContact CG2-CD1 3.51Å; V136-I341 HydrophobicContact CG2-CG1 4.25Å; V136-L345 HydrophobicContact CG2-CD1 3.98Å
137	A	98.9	Very high	98.6	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.008	25%	0.251	C	S	.	.	H	α-helix	trans	-57.3	-52.4	175.8	0	0	0	0	0	110.7	R133 D134 F139 Y140 S141 L147 E148 V152	R133-A137 WeakPolarHBondContact O-CB 3.39Å; R133-A137 PolarHBondContact O-N 2.93Å; D134-A137 PolarHBondContact O-N 3.05Å; A137-F139 VanDerWaalsContact C-N 3.29Å; A137-F139 PolarHBondContact O-N 2.91Å; A137-Y140 PolarHBondContact O-N 3.27Å; A137-S141 WeakPolarHBondContact O-CB 3.47Å; A137-S141 PolarHBondContact O-N 3.3Å; A137-L147 HydrophobicContact CB-CB 4.15Å; A137-E148 VanDerWaalsContact CB-C 3.47Å; A137-V152 HydrophobicContact CB-CG2 3.79Å
138	N	98.7	Very high	98.6	Very high	114 Å²	114	52.8 Å²	52.8	61%	0.61	27%	0.273	S	S	*	.	H	α-helix	trans	-59.8	-37.1	179.7	-71.6	-25.3	0	0	0	113.1	D134 V135 Y140	D134-N138 WeakPolarHBondContact O-CB 3.39Å; D134-N138 PolarHBondContact O-N 3.02Å; D134-N138 PolarHBondContact O-ND2 2.81Å; V135-N138 PolarHBondContact O-N 2.91Å; N138-Y140 VanDerWaalsContact C-N 3.34Å
139	F	98.6	Very high	98.6	Very high	64 Å²	64	53 Å²	53	28%	0.281	27%	0.274	S	S	.	.	H	α-helix	trans	-67.5	-34	-179.7	-171.5	-89	0	0	0	112.7	V135 V136 A137 W296 L345	V135-F139 WeakPolarHBondContact O-CB 3.33Å; V135-F139 PolarHBondContact O-N 2.84Å; V136-F139 PolarHBondContact O-N 3.21Å; A137-F139 VanDerWaalsContact C-N 3.29Å; A137-F139 PolarHBondContact O-N 2.91Å; F139-W296 HydrophobicContact CE1-CH2 4.39Å; F139-W296 HydrophobicContact CZ-CH2 4.42Å; F139-W296 HydrophobicContact CZ-CZ2 4.42Å; F139-L345 HydrophobicContact CB-CD1 4.17Å; F139-L345 HydrophobicContact CD2-CB 3.8Å; F139-L345 HydrophobicContact CE2-CB 4.09Å; F139-L345 WeakPolarHBondContact CE2-O 3.3Å; F139-L345 HydrophobicContact CG-CB 4.33Å; F139-L345 HydrophobicContact CG-CD1 4.22Å
140	Y	98.6	Very high	98.5	Very high	58 Å²	58	57.7 Å²	57.7	23%	0.227	30%	0.298	C	S	.	.	H	α-helix	trans	-104.8	-9.9	-176.7	-70.3	-72.9	0	0	0	114.4	V136 A137 N138 W305 L307	V136-Y140 HydrophobicContact CG1-CD2 4.05Å; V136-Y140 HydrophobicContact CG1-CE2 4.33Å; V136-Y140 WeakPolarHBondContact O-CD2 3.35Å; V136-Y140 PolarHBondContact O-N 3.01Å; A137-Y140 PolarHBondContact O-N 3.27Å; N138-Y140 VanDerWaalsContact C-N 3.34Å; Y140-W305 AromaticContact CE2-CE2 3.75Å; Y140-W305 HydrophobicContact CE2-CH2 4.5Å; Y140-W305 AromaticContact CE2-CZ2 3.61Å; Y140-W305 HydrophobicContact CE2-CZ2 3.61Å; Y140-W305 AromaticContact CE2-NE1 3.71Å; Y140-W305 AromaticContact CZ-CZ2 3.83Å; Y140-W305 WeakPolarHBondContact OH-CZ2 3.13Å; Y140-L307 HydrophobicContact CD1-CD1 4.37Å; Y140-L307 HydrophobicContact CD2-CD1 3.97Å; Y140-L307 HydrophobicContact CG-CD1 3.78Å
141	S	98.4	Very high	98.5	Very high	48 Å²	48	53.7 Å²	53.7	34%	0.336	28%	0.28	S	S	.	.			trans	-68.9	135.4	-178.9	-169.3	0	0	0	0	111.4	A137 L147	A137-S141 WeakPolarHBondContact O-CB 3.47Å; A137-S141 PolarHBondContact O-N 3.3Å; S141-L147 PolarHBondContact OG-N 3.44Å; S141-L147 PolarHBondContact OG-O 3.49Å
142	C	97.9	Very high	98.6	Very high	42 Å²	42	48.8 Å²	48.8	28%	0.284	26%	0.259	S	S	.	.	B	Isolated β-bridge	trans	-142.8	162.9	170.8	62	0	0	0	0	110	E144 A145 P146	C142-E144 PolarHBondContact O-N 2.87Å; C142-E144 VanDerWaalsContact O-N 3.14Å; C142-A145 PolarHBondContact N-O 2.89Å; C142-A145 CarbonylContact O-C 3.43Å; C142-A145 PolarHBondContact O-N 2.88Å; C142-A145 PolarHBondContact SG-N 3.48Å; C142-A145 VanDerWaalsContact SG-N 3.45Å; C142-P146 WeakPolarHBondContact O-CA 3.17Å
143	P	97.9	Very high	98.6	Very high	119 Å²	119	48.8 Å²	48.8	77%	0.773	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-34.9	-178.2	-27.6	36.3	0	0	0	114
144	E	98.3	Very high	98.6	Very high	113 Å²	113	47.6 Å²	47.6	53%	0.528	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-30.1	179.9	-61.1	78.1	-173.3	0	0	112.5	C142 S279 R311	C142-E144 PolarHBondContact O-N 2.87Å; C142-E144 VanDerWaalsContact O-N 3.14Å; E144-S279 WeakPolarHBondContact CB-O 3.02Å; E144-R311 PolarHBondContact O-NH1 3.13Å; E144-R311 PolarHBondContact O-NH2 2.89Å
145	A	98.3	Very high	98.6	Very high	2 Å²	2	44.9 Å²	44.9	2%	0.017	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-136.3	73.4	179	0	0	0	0	0	110	C142 A278	C142-A145 PolarHBondContact N-O 2.89Å; C142-A145 CarbonylContact O-C 3.43Å; C142-A145 PolarHBondContact O-N 2.88Å; C142-A145 PolarHBondContact SG-N 3.48Å; C142-A145 VanDerWaalsContact SG-N 3.45Å; A145-A278 HydrophobicContact CB-CB 4.12Å
146	P	98.3	Very high	98.6	Very high	74 Å²	74	46.2 Å²	46.2	48%	0.481	25%	0.25	S	C	.	.			trans	-66	143.9	-179.1	28.1	-34.8	0	0	0	109.9	C142	C142-P146 WeakPolarHBondContact O-CA 3.17Å
147	L	98.8	Very high	98.6	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.005	25%	0.25	C	C	.	.			trans	-133.8	136.2	175.6	-71.6	169.4	0	0	0	109.6	A137 S141 D151 L307	A137-L147 HydrophobicContact CB-CB 4.15Å; S141-L147 PolarHBondContact OG-N 3.44Å; S141-L147 PolarHBondContact OG-O 3.49Å; L147-D151 HydrophobicContact CD2-CB 3.52Å; L147-L307 HydrophobicContact CD1-CB 4.14Å; L147-L307 HydrophobicContact CD1-CD1 3.99Å; L147-L307 HydrophobicContact CD1-CD2 4.23Å; L147-L307 HydrophobicContact CD1-CG 4.33Å; L147-L307 HydrophobicContact CD2-CB 4.23Å
148	E	98.6	Very high	98.6	Very high	122 Å²	122	46.6 Å²	46.6	57%	0.57	25%	0.252	S	S	*	.			trans	-113.4	168.4	164.9	-63.8	-64.4	156.9	0	0	109	A137 E150 D151	A137-E148 VanDerWaalsContact CB-C 3.47Å; E148-E150 HydrophobicContact CB-CG 4.18Å; E148-E150 PolarHBondContact O-N 3.02Å; E148-E150 VanDerWaalsContact O-N 3.11Å; E148-D151 PolarHBondContact N-OD2 3.4Å; E148-D151 WeakPolarHBondContact O-CA 3.41Å; E148-D151 VanDerWaalsContact O-CB 3.27Å; E148-D151 WeakPolarHBondContact O-CB 3.47Å; E148-D151 PolarHBondContact O-N 3.33Å
149	A	98.6	Very high	98.6	Very high	4 Å²	4	43.5 Å²	43.5	3%	0.033	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-62.7	-22.3	-179.2	0	0	0	0	0	114.8	R133 D134 D151 V152	R133-A149 HydrophobicContact CB-CB 3.84Å; R133-A149 PolarHBondContact NH1-O 3.41Å; D134-A149 HydrophobicContact CB-CB 4.45Å; D134-A149 WeakPolarHBondContact OD1-CB 3.32Å; A149-D151 PolarHBondContact O-N 3.46Å; A149-V152 PolarHBondContact O-N 3.01Å
150	E	98.2	Very high	98.6	Very high	143 Å²	143	41.4 Å²	41.4	67%	0.668	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-71	-14.9	172.7	63.1	175.4	-159	0	0	113.6	E148 V152 R320	E148-E150 HydrophobicContact CB-CG 4.18Å; E148-E150 PolarHBondContact O-N 3.02Å; E148-E150 VanDerWaalsContact O-N 3.11Å; E150-V152 VanDerWaalsContact C-N 3.31Å; E150-R320 PolarHBondContact O-NH1 3.16Å; E150-R320 VanDerWaalsContact O-NH1 3.11Å
151	D	98.8	Very high	98.6	Very high	16 Å²	16	38.7 Å²	38.7	9%	0.086	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-87.6	0.3	171.8	-55.2	-51.7	0	0	0	112.6	L147 E148 A149 L307 I308 R320	L147-D151 HydrophobicContact CD2-CB 3.52Å; E148-D151 PolarHBondContact N-OD2 3.4Å; E148-D151 WeakPolarHBondContact O-CA 3.41Å; E148-D151 VanDerWaalsContact O-CB 3.27Å; E148-D151 WeakPolarHBondContact O-CB 3.47Å; E148-D151 PolarHBondContact O-N 3.33Å; A149-D151 PolarHBondContact O-N 3.46Å; D151-L307 CarbonylContact O-C 3.41Å; D151-L307 WeakPolarHBondContact O-CA 3.39Å; D151-I308 HydrophobicContact CB-CB 4.28Å; D151-I308 WeakPolarHBondContact O-CG1 3.25Å; D151-I308 PolarHBondContact O-N 3.02Å; D151-R320 IonicContact OD1-CZ 2.64Å; D151-R320 IonicContact OD1-NH1 3.09Å; D151-R320 PolarHBondContact OD1-NH1 3.45Å; D151-R320 IonicContact OD1-NH2 3.37Å; D151-R320 PolarHBondContact OD1-NH2 3.05Å
152	V	98.9	Very high	98.6	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.012	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	132.3	-175.9	-176	0	0	0	0	111	R133 V136 A137 A149 E150 L154 W305 I306 L307	R133-V152 HydrophobicContact CB-CB 4.08Å; R133-V152 HydrophobicContact CB-CG1 4.23Å; R133-V152 WeakPolarHBondContact CD-O 3.38Å; R133-V152 HydrophobicContact CG-CB 4.13Å; R133-V152 HydrophobicContact CG-CG1 4Å; V136-V152 HydrophobicContact CB-CG1 4.07Å; V136-V152 HydrophobicContact CG1-CG1 3.82Å; V136-V152 HydrophobicContact CG1-CG2 4.34Å; A137-V152 HydrophobicContact CB-CG2 3.79Å; A149-V152 PolarHBondContact O-N 3.01Å; E150-V152 VanDerWaalsContact C-N 3.31Å; V152-L154 HydrophobicContact CG1-CD2 3.87Å; V152-W305 HydrophobicContact CG1-CB 4.35Å; V152-I306 WeakPolarHBondContact CA-O 3.41Å; V152-L307 HydrophobicContact CG1-CD2 4.4Å; V152-L307 HydrophobicContact CG2-CD2 3.96Å
153	V	98.9	Very high	98.6	Very high	5 Å²	5	35.6 Å²	35.6	3%	0.03	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	116.1	167.9	-178.3	0	0	0	0	108.7	V127 T155 W305 I306 I308 L323	V127-V153 HydrophobicContact CB-CG1 4.26Å; V127-V153 HydrophobicContact CG1-CG1 4.17Å; V127-V153 HydrophobicContact CG1-CG2 4.42Å; V153-T155 HydrophobicContact CG1-CG2 4.22Å; V153-W305 CarbonylContact O-C 3.4Å; V153-W305 WeakPolarHBondContact O-CA 3.37Å; V153-I306 HydrophobicContact CB-CB 4.33Å; V153-I306 PolarHBondContact N-O 3.23Å; V153-I306 PolarHBondContact O-N 2.64Å; V153-I308 HydrophobicContact CG2-CD1 4.49Å; V153-L323 HydrophobicContact CG2-CB 4.4Å
154	L	98.9	Very high	98.7	Very high	1 Å²	1	30 Å²	30	1%	0.005	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	137.5	175.4	-55.2	-174.3	0	0	0	110.5	V127 R133 V136 V152 W305 Q338	V127-L154 PolarHBondContact O-N 2.87Å; R133-L154 HydrophobicContact CG-CD1 4.25Å; R133-L154 HydrophobicContact CG-CD2 4.4Å; R133-L154 HydrophobicContact CG-CG 3.9Å; V136-L154 HydrophobicContact CG2-CD2 4.07Å; V152-L154 HydrophobicContact CG1-CD2 3.87Å; L154-W305 HydrophobicContact CD2-CB 4.11Å; L154-Q338 HydrophobicContact CD1-CB 4.46Å; L154-Q338 HydrophobicContact CD1-CG 3.92Å
155	T	98.9	Very high	98.7	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	159.4	-170.7	63	0	0	0	0	111.8	V153 G157 A161 L164 G304 W305 I306 A333	V153-T155 HydrophobicContact CG1-CG2 4.22Å; T155-G157 PolarHBondContact O-N 2.86Å; T155-G157 PolarHBondContact OG1-O 2.96Å; T155-A161 HydrophobicContact CG2-CB 4.31Å; T155-L164 HydrophobicContact CG2-CD1 3.82Å; T155-G304 PolarHBondContact N-O 2.87Å; T155-G304 PolarHBondContact O-N 2.82Å; T155-G304 VanDerWaalsContact OG1-C 3.23Å; T155-G304 PolarHBondContact OG1-O 3.25Å; T155-W305 PolarHBondContact OG1-N 2.81Å; T155-I306 HydrophobicContact CG2-CD1 4.47Å; T155-I306 HydrophobicContact CG2-CG1 4.43Å; T155-A333 WeakPolarHBondContact O-CB 3.45Å
156	S	98.8	Very high	98.7	Very high	41 Å²	41	24.6 Å²	24.6	29%	0.287	14%	0.135	S	C	.	.	S	Bend	trans	-72.8	64.3	178.2	-168.2	0	0	0	0	111.5	Q160 R302	S156-Q160 VanDerWaalsContact CB-OE1 3.25Å; S156-R302 CarbonylContact C-O 3.54Å; S156-R302 VanDerWaalsContact CA-O 3.25Å; S156-R302 WeakPolarHBondContact CA-O 3.4Å; S156-R302 PolarHBondContact O-NH2 2.94Å
157	G	98.6	Very high	98.8	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.122	C	C	.	.	S	Bend	trans	76.2	166.5	-171.5	0	0	0	0	0	113.5	T155 S159 Q160 A161 R302	T155-G157 PolarHBondContact O-N 2.86Å; T155-G157 PolarHBondContact OG1-O 2.96Å; G157-S159 PolarHBondContact O-N 3.44Å; G157-Q160 PolarHBondContact O-N 3.17Å; G157-A161 PolarHBondContact O-N 3.42Å; G157-R302 VanDerWaalsContact N-C 3.28Å; G157-R302 PolarHBondContact N-O 2.93Å; G157-R302 VanDerWaalsContact N-O 3.14Å
158	C	98.7	Very high	98.8	Very high	10 Å²	10	23.8 Å²	23.8	7%	0.068	13%	0.129	C	C	.	.	H	α-helix	trans	-55.9	-27.8	-179.8	-163.6	0	0	0	0	113.1	Q160 A161 I162 I263 C289	C158-Q160 VanDerWaalsContact C-N 3.31Å; C158-Q160 PolarHBondContact O-N 3.43Å; C158-A161 WeakPolarHBondContact O-CB 3.35Å; C158-A161 PolarHBondContact O-N 3.23Å; C158-A161 VanDerWaalsContact O-N 3.1Å; C158-I162 WeakPolarHBondContact O-CD1 3.25Å; C158-I162 WeakPolarHBondContact O-CG1 3.48Å; C158-I162 PolarHBondContact O-N 2.67Å; C158-I263 HydrophobicContact CB-CB 4.36Å; C158-I263 HydrophobicContact CB-CD1 3.84Å; C158-I263 HydrophobicContact CB-CG1 4.04Å; C158-C289 VanDerWaalsContact SG-CB 3.57Å
159	S	98.6	Very high	98.8	Very high	49 Å²	49	19 Å²	19	34%	0.343	11%	0.107	S	C	.	.	H	α-helix	trans	-57.3	-41.6	174.4	-47.6	0	0	0	0	113	G157 D163 R302	G157-S159 PolarHBondContact O-N 3.44Å; S159-D163 PolarHBondContact O-N 3.11Å; S159-D163 VanDerWaalsContact O-N 3.13Å; S159-R302 PolarHBondContact OG-NH2 3.32Å
160	Q	98.8	Very high	98.7	Very high	20 Å²	20	19.3 Å²	19.3	9%	0.093	11%	0.108	C	C	.	.	H	α-helix	trans	-76.5	-33.1	175.1	-176.3	-178.2	39.1	0	0	111.3	S156 G157 C158 I162 D163 L164	S156-Q160 VanDerWaalsContact CB-OE1 3.25Å; G157-Q160 PolarHBondContact O-N 3.17Å; C158-Q160 VanDerWaalsContact C-N 3.31Å; C158-Q160 PolarHBondContact O-N 3.43Å; Q160-I162 VanDerWaalsContact C-N 3.33Å; Q160-I162 PolarHBondContact O-N 2.65Å; Q160-D163 PolarHBondContact O-N 2.82Å; Q160-L164 HydrophobicContact CG-CD1 4Å; Q160-L164 HydrophobicContact CG-CG 4.05Å; Q160-L164 WeakPolarHBondContact O-CB 3.31Å; Q160-L164 VanDerWaalsContact O-CG 3.3Å; Q160-L164 WeakPolarHBondContact O-CG 3.42Å; Q160-L164 PolarHBondContact O-N 2.9Å
161	A	98.9	Very high	98.7	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-56.2	-48.8	173.4	0	0	0	0	0	111.3	T155 G157 C158 L164 A165 C289 I306	T155-A161 HydrophobicContact CG2-CB 4.31Å; G157-A161 PolarHBondContact O-N 3.42Å; C158-A161 WeakPolarHBondContact O-CB 3.35Å; C158-A161 PolarHBondContact O-N 3.23Å; C158-A161 VanDerWaalsContact O-N 3.1Å; A161-L164 PolarHBondContact O-N 3.43Å; A161-A165 VanDerWaalsContact O-CB 3.29Å; A161-A165 WeakPolarHBondContact O-CB 3.3Å; A161-A165 PolarHBondContact O-N 3.4Å; A161-C289 HydrophobicContact CB-CB 4Å; A161-I306 HydrophobicContact CB-CG1 3.69Å
162	I	98.9	Very high	98.7	Very high	2 Å²	2	21.6 Å²	21.6	1%	0.01	13%	0.131	C	C	.	.	H	α-helix	trans	-63.1	-45.5	176.2	-64.3	157.5	0	0	0	111.2	C158 Q160 L164 A165 I166 L185 Y186 L189 L259 D261 C289	C158-I162 WeakPolarHBondContact O-CD1 3.25Å; C158-I162 WeakPolarHBondContact O-CG1 3.48Å; C158-I162 PolarHBondContact O-N 2.67Å; Q160-I162 VanDerWaalsContact C-N 3.33Å; Q160-I162 PolarHBondContact O-N 2.65Å; I162-L164 PolarHBondContact O-N 2.96Å; I162-A165 PolarHBondContact O-N 3.23Å; I162-I166 HydrophobicContact CG2-CD1 3.72Å; I162-I166 HydrophobicContact CG2-CG1 4.33Å; I162-I166 WeakPolarHBondContact O-CB 3.41Å; I162-I166 WeakPolarHBondContact O-CG1 3.35Å; I162-I166 PolarHBondContact O-N 3.45Å; I162-L185 HydrophobicContact CD1-CD2 4.23Å; I162-Y186 HydrophobicContact CD1-CD1 4.48Å; I162-Y186 HydrophobicContact CD1-CE1 3.85Å; I162-Y186 HydrophobicContact CG1-CE1 4.4Å; I162-Y186 HydrophobicContact CG2-CD1 3.91Å; I162-Y186 HydrophobicContact CG2-CE1 4.27Å; I162-L189 HydrophobicContact CB-CD1 4.27Å; I162-L189 HydrophobicContact CG2-CD1 3.68Å; I162-L259 HydrophobicContact CG2-CD2 4.34Å; I162-D261 WeakPolarHBondContact CD1-OD2 3.41Å; I162-C289 HydrophobicContact CG1-CB 4.37Å
163	D	98.8	Very high	98.6	Very high	23 Å²	23	22.9 Å²	22.9	12%	0.123	15%	0.145	C	C	.	.	H	α-helix	trans	-56.3	-49.4	176.8	177.4	48.8	0	0	0	111.8	S159 Q160 T167 L189 R329	S159-D163 PolarHBondContact O-N 3.11Å; S159-D163 VanDerWaalsContact O-N 3.13Å; Q160-D163 PolarHBondContact O-N 2.82Å; D163-T167 WeakPolarHBondContact O-CB 3.35Å; D163-T167 PolarHBondContact O-N 3.04Å; D163-T167 PolarHBondContact O-OG1 3.44Å; D163-L189 HydrophobicContact CB-CD1 4.12Å; D163-L189 HydrophobicContact CB-CD2 4.17Å; D163-R329 IonicContact OD2-NH2 3.62Å; D163-R329 PolarHBondContact OD2-NH2 3.07Å
164	L	98.9	Very high	98.6	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.01	15%	0.148	C	C	.	.	H	α-helix	trans	-66.6	-40.2	179.3	-67.8	178	0	0	0	112	T155 Q160 A161 I162 T167 V168 I306 L323 L326	T155-L164 HydrophobicContact CG2-CD1 3.82Å; Q160-L164 HydrophobicContact CG-CD1 4Å; Q160-L164 HydrophobicContact CG-CG 4.05Å; Q160-L164 WeakPolarHBondContact O-CB 3.31Å; Q160-L164 VanDerWaalsContact O-CG 3.3Å; Q160-L164 WeakPolarHBondContact O-CG 3.42Å; Q160-L164 PolarHBondContact O-N 2.9Å; A161-L164 PolarHBondContact O-N 3.43Å; I162-L164 PolarHBondContact O-N 2.96Å; L164-T167 PolarHBondContact O-N 3.33Å; L164-V168 WeakPolarHBondContact O-CB 3.46Å; L164-V168 WeakPolarHBondContact O-CG1 3.37Å; L164-V168 PolarHBondContact O-N 3.18Å; L164-I306 HydrophobicContact CB-CD1 3.89Å; L164-I306 HydrophobicContact CD1-CD1 4.48Å; L164-L323 HydrophobicContact CB-CD2 4.05Å; L164-L326 HydrophobicContact CD2-CB 3.54Å
165	A	98.8	Very high	98.6	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-64.7	-44.7	177.7	0	0	0	0	0	112.1	A161 I162 V168 L169 L259 L287	A161-A165 VanDerWaalsContact O-CB 3.29Å; A161-A165 WeakPolarHBondContact O-CB 3.3Å; A161-A165 PolarHBondContact O-N 3.4Å; I162-A165 PolarHBondContact O-N 3.23Å; A165-V168 WeakPolarHBondContact O-CG1 3.27Å; A165-L169 WeakPolarHBondContact O-CB 3.42Å; A165-L169 WeakPolarHBondContact O-CD1 3.27Å; A165-L169 VanDerWaalsContact O-CG 3.25Å; A165-L169 WeakPolarHBondContact O-CG 3.29Å; A165-L169 PolarHBondContact O-N 2.91Å; A165-L259 HydrophobicContact CB-CD1 3.64Å; A165-L259 HydrophobicContact CB-CD2 3.95Å; A165-L259 HydrophobicContact CB-CG 4.41Å; A165-L287 HydrophobicContact CB-CB 4.45Å; A165-L287 HydrophobicContact CB-CD1 3.89Å
166	I	98.8	Very high	98.5	Very high	2 Å²	2	23.6 Å²	23.6	1%	0.01	15%	0.148	C	C	.	.	H	α-helix	trans	-65.1	-47	175	-67.4	173.4	0	0	0	110.1	I162 V168 L169 C170 I176 L189 L193 I195 I227 L259	I162-I166 HydrophobicContact CG2-CD1 3.72Å; I162-I166 HydrophobicContact CG2-CG1 4.33Å; I162-I166 WeakPolarHBondContact O-CB 3.41Å; I162-I166 WeakPolarHBondContact O-CG1 3.35Å; I162-I166 PolarHBondContact O-N 3.45Å; I166-V168 VanDerWaalsContact C-N 3.33Å; I166-V168 PolarHBondContact O-N 3.04Å; I166-L169 PolarHBondContact O-N 3.07Å; I166-C170 WeakPolarHBondContact O-CB 3.48Å; I166-C170 PolarHBondContact O-N 3.28Å; I166-I176 HydrophobicContact CD1-CD1 4.35Å; I166-L189 HydrophobicContact CD1-CB 4.27Å; I166-L189 HydrophobicContact CD1-CD1 4.47Å; I166-L193 HydrophobicContact CG2-CD1 4.23Å; I166-I195 HydrophobicContact CG2-CD1 3.5Å; I166-I227 HydrophobicContact CD1-CD1 4.03Å; I166-I227 HydrophobicContact CG1-CD1 4.37Å; I166-L259 HydrophobicContact CD1-CD2 4.48Å; I166-L259 HydrophobicContact CG1-CD2 3.82Å
167	T	98.4	Very high	98.6	Very high	34 Å²	34	21.6 Å²	21.6	21%	0.209	13%	0.134	C	C	.	.	H	α-helix	trans	-67.3	-30.7	-175.7	-57.5	0	0	0	0	112.9	D163 L164 L193 L326	D163-T167 WeakPolarHBondContact O-CB 3.35Å; D163-T167 PolarHBondContact O-N 3.04Å; D163-T167 PolarHBondContact O-OG1 3.44Å; L164-T167 PolarHBondContact O-N 3.33Å; T167-L193 WeakPolarHBondContact OG1-CD1 3.34Å; T167-L326 HydrophobicContact CG2-CD1 3.84Å; T167-L326 HydrophobicContact CG2-CD2 3.84Å
168	V	98.8	Very high	98.6	Very high	24 Å²	24	21.9 Å²	21.9	15%	0.145	14%	0.136	C	C	.	.	H	α-helix	trans	-77.4	-30.9	176.8	77.6	0	0	0	0	112.5	L164 A165 I166 L287 I319 L323 L326	L164-V168 WeakPolarHBondContact O-CB 3.46Å; L164-V168 WeakPolarHBondContact O-CG1 3.37Å; L164-V168 PolarHBondContact O-N 3.18Å; A165-V168 WeakPolarHBondContact O-CG1 3.27Å; I166-V168 VanDerWaalsContact C-N 3.33Å; I166-V168 PolarHBondContact O-N 3.04Å; V168-L287 HydrophobicContact CG1-CD1 4.12Å; V168-I319 HydrophobicContact CG1-CG2 4.2Å; V168-I319 HydrophobicContact CG2-CD1 4.24Å; V168-I319 HydrophobicContact CG2-CG2 4.28Å; V168-L323 HydrophobicContact CB-CD2 3.94Å; V168-L323 HydrophobicContact CB-CG 4.24Å; V168-L323 HydrophobicContact CG1-CD2 3.67Å; V168-L323 HydrophobicContact CG1-CG 3.98Å; V168-L323 HydrophobicContact CG2-CD2 4.4Å; V168-L323 HydrophobicContact CG2-CG 4.16Å; V168-L326 HydrophobicContact CB-CD1 3.83Å; V168-L326 HydrophobicContact CG2-CD1 4.3Å
169	L	98.7	Very high	98.6	Very high	21 Å²	21	21.6 Å²	21.6	11%	0.11	13%	0.134	C	C	.	.	H	α-helix	trans	-85.2	-38.9	-177.5	-67.8	174	0	0	0	112	A165 I166 T224 C225 P257 L287 F315 I319	A165-L169 WeakPolarHBondContact O-CB 3.42Å; A165-L169 WeakPolarHBondContact O-CD1 3.27Å; A165-L169 VanDerWaalsContact O-CG 3.25Å; A165-L169 WeakPolarHBondContact O-CG 3.29Å; A165-L169 PolarHBondContact O-N 2.91Å; I166-L169 PolarHBondContact O-N 3.07Å; L169-T224 HydrophobicContact CB-CG2 4.26Å; L169-T224 WeakPolarHBondContact O-CG2 3.4Å; L169-C225 HydrophobicContact CD1-CB 4.14Å; L169-P257 HydrophobicContact CD2-CG 4.38Å; L169-L287 HydrophobicContact CD1-CD1 4.05Å; L169-L287 HydrophobicContact CG-CD1 4.25Å; L169-F315 HydrophobicContact CD2-CE1 3.92Å; L169-I319 HydrophobicContact CD2-CD1 4.11Å
170	C	98.3	Very high	98.5	Very high	10 Å²	10	19.7 Å²	19.7	7%	0.068	12%	0.12	C	C	.	.			trans	-112.1	150.1	-163.8	-54.1	0	0	0	0	113.9	I166 I176 I195	I166-C170 WeakPolarHBondContact O-CB 3.48Å; I166-C170 PolarHBondContact O-N 3.28Å; C170-I176 VanDerWaalsContact SG-CG2 3.53Å; C170-I195 HydrophobicContact CB-CD1 3.43Å; C170-I195 VanDerWaalsContact CB-CD1 3.43Å; C170-I195 HydrophobicContact CB-CG1 3.96Å; C170-I195 HydrophobicContact CB-CG2 4.5Å
171	N	97.9	Very high	98.5	Very high	108 Å²	108	18.8 Å²	18.8	58%	0.578	12%	0.116	S	C	*	.			trans	-112.8	162.3	168.1	-66.4	-75.5	0	0	0	111.5	G173 D174	N171-G173 PolarHBondContact O-N 3.13Å; N171-D174 PolarHBondContact N-OD2 2.89Å; N171-D174 WeakPolarHBondContact O-CB 3.37Å; N171-D174 PolarHBondContact O-N 2.89Å; N171-D174 VanDerWaalsContact O-N 3.08Å
172	P	97.9	Very high	98.5	Very high	100 Å²	100	19 Å²	19	65%	0.649	12%	0.118	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.7	130.8	170	-25	33.6	0	0	0	112
173	G	96.9	Very high	98.4	Very high	29 Å²	29	21.5 Å²	21.5	30%	0.299	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	91	-8.9	-176.8	0	0	0	0	0	115.4	N171 G194 R222	N171-G173 PolarHBondContact O-N 3.13Å; G173-G194 PolarHBondContact N-O 3.39Å; G173-R222 PolarHBondContact O-NH2 3.46Å; G173-R222 VanDerWaalsContact O-NH2 3.15Å
174	D	98.5	Very high	98.2	Very high	18 Å²	18	20.8 Å²	20.8	10%	0.096	13%	0.126	C	C	.	.			trans	-73	168.4	168.5	-64.3	-14.5	0	0	0	110.7	N171 I195 Q196 R222 T224	N171-D174 PolarHBondContact N-OD2 2.89Å; N171-D174 WeakPolarHBondContact O-CB 3.37Å; N171-D174 PolarHBondContact O-N 2.89Å; N171-D174 VanDerWaalsContact O-N 3.08Å; D174-I195 WeakPolarHBondContact O-CG2 3.35Å; D174-Q196 PolarHBondContact O-N 3.47Å; D174-R222 IonicContact OD1-CZ 3.47Å; D174-R222 IonicContact OD1-NE 3.26Å; D174-R222 PolarHBondContact OD1-NE 2.85Å; D174-R222 IonicContact OD1-NH2 2.8Å; D174-R222 PolarHBondContact OD1-NH2 3.4Å; D174-T224 WeakPolarHBondContact CB-OG1 3.46Å; D174-T224 PolarHBondContact OD2-OG1 3.41Å
175	N	98.8	Very high	98.2	Very high	2 Å²	2	21.9 Å²	21.9	1%	0.011	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	152.6	170.8	71.8	87.2	0	0	0	113.3	Q196 K198 D220 R222 T223 T224	N175-Q196 WeakPolarHBondContact CA-O 3.31Å; N175-Q196 HydrophobicContact CB-CB 3.86Å; N175-K198 HydrophobicContact CB-CD 4.49Å; N175-K198 HydrophobicContact CB-CG 4.49Å; N175-K198 PolarHBondContact ND2-NZ 2.77Å; N175-K198 WeakPolarHBondContact OD1-CD 3.43Å; N175-K198 WeakPolarHBondContact OD1-CE 3.37Å; N175-K198 PolarHBondContact OD1-NZ 3.29Å; N175-D220 PolarHBondContact ND2-OD1 3.38Å; N175-R222 PolarHBondContact N-O 3.35Å; N175-R222 WeakPolarHBondContact ND2-CB 3.44Å; N175-R222 PolarHBondContact ND2-O 3.45Å; N175-T223 PolarHBondContact ND2-N 2.89Å; N175-T223 WeakPolarHBondContact O-CA 3.3Å; N175-T223 WeakPolarHBondContact OD1-CA 3.39Å; N175-T223 WeakPolarHBondContact OD1-CB 3.22Å; N175-T223 PolarHBondContact OD1-OG1 2.91Å; N175-T224 PolarHBondContact O-N 2.71Å
176	I	98.8	Very high	98.2	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	150.1	172.2	61.4	171.2	0	0	0	110	I166 C170 I178 A190 I195 Q196 K198 C225 I227	I166-I176 HydrophobicContact CD1-CD1 4.35Å; C170-I176 VanDerWaalsContact SG-CG2 3.53Å; I176-I178 HydrophobicContact CD1-CG2 3.79Å; I176-I178 HydrophobicContact CG1-CG2 4Å; I176-A190 HydrophobicContact CD1-CB 3.64Å; I176-A190 HydrophobicContact CG1-CB 4.27Å; I176-I195 HydrophobicContact CG1-CG2 4.22Å; I176-I195 HydrophobicContact CG2-CG2 4.07Å; I176-Q196 PolarHBondContact N-O 2.79Å; I176-K198 PolarHBondContact O-N 3.21Å; I176-C225 WeakPolarHBondContact CA-O 3.46Å; I176-C225 HydrophobicContact CG2-CB 3.96Å; I176-I227 HydrophobicContact CD1-CD1 3.81Å
177	L	98.9	Very high	98.1	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	126.1	173.2	-89.4	68.3	0	0	0	109.4	K198 Y200 M215 L218 I219 T223 C225 L226 I227	L177-K198 CarbonylContact C-O 3.57Å; L177-K198 VanDerWaalsContact CA-O 3.32Å; L177-K198 WeakPolarHBondContact CA-O 3.43Å; L177-K198 HydrophobicContact CD1-CB 3.99Å; L177-K198 HydrophobicContact CD1-CD 4.06Å; L177-K198 HydrophobicContact CG-CB 4.17Å; L177-Y200 HydrophobicContact CB-CD1 3.97Å; L177-Y200 HydrophobicContact CB-CE1 4.44Å; L177-M215 HydrophobicContact CD2-CG 3.99Å; L177-M215 WeakPolarHBondContact CD2-O 3.42Å; L177-L218 HydrophobicContact CD2-CB 3.92Å; L177-L218 HydrophobicContact CG-CB 4.29Å; L177-I219 HydrophobicContact CD2-CG1 3.94Å; L177-T223 HydrophobicContact CD1-CG2 3.54Å; L177-C225 PolarHBondContact N-O 3.28Å; L177-L226 HydrophobicContact CB-CD2 3.64Å; L177-L226 HydrophobicContact CD1-CD2 4.38Å; L177-L226 HydrophobicContact CD2-CD2 3.66Å; L177-L226 HydrophobicContact CG-CD2 4.11Å; L177-I227 PolarHBondContact O-N 3.46Å
178	I	98.7	Very high	98.1	Very high	6 Å²	6	23.5 Å²	23.5	3%	0.031	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	152.5	178.4	76.7	172.6	0	0	0	110.2	I176 Y186 K187 V197 K198 L199 Y200 I227	I176-I178 HydrophobicContact CD1-CG2 3.79Å; I176-I178 HydrophobicContact CG1-CG2 4Å; I178-Y186 HydrophobicContact CB-CD2 4.49Å; I178-K187 HydrophobicContact CD1-CB 3.99Å; I178-V197 HydrophobicContact CD1-CG1 3.35Å; I178-V197 HydrophobicContact CG1-CG1 3.6Å; I178-V197 HydrophobicContact CG2-CG1 4.47Å; I178-K198 PolarHBondContact N-O 3.11Å; I178-L199 HydrophobicContact CD1-CD2 3.7Å; I178-L199 HydrophobicContact CG1-CD2 3.4Å; I178-L199 VanDerWaalsContact CG1-CD2 3.4Å; I178-L199 WeakPolarHBondContact O-CA 3.23Å; I178-Y200 VanDerWaalsContact C-CD1 3.43Å; I178-Y200 WeakPolarHBondContact O-CD1 3.36Å; I178-Y200 PolarHBondContact O-N 2.82Å; I178-I227 HydrophobicContact CG2-CB 4.24Å; I178-I227 HydrophobicContact CG2-CD1 3.84Å; I178-I227 HydrophobicContact CG2-CG1 4.15Å
179	P	98.8	Very high	98.1	Very high	4 Å²	4	23.5 Å²	23.5	3%	0.026	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	151.1	-178.3	24.5	-30.5	0	0	0	112.2	P181 G182 Y200 L202	P179-P181 CarbonylContact C-O 3.58Å; P179-P181 CarbonylContact O-C 3.6Å; P179-G182 VanDerWaalsContact O-CA 3.28Å; P179-G182 WeakPolarHBondContact O-CA 3.18Å; P179-G182 PolarHBondContact O-N 3.2Å; P179-Y200 CarbonylContact C-O 3.01Å; P179-Y200 VanDerWaalsContact CA-CZ 3.46Å; P179-Y200 HydrophobicContact CB-CE1 4.33Å; P179-Y200 HydrophobicContact CB-CE2 3.71Å; P179-Y200 WeakPolarHBondContact CB-OH 3.48Å; P179-Y200 WeakPolarHBondContact CD-OH 3.32Å; P179-Y200 VanDerWaalsContact N-CE1 3.32Å; P179-L202 HydrophobicContact CB-CD1 4.05Å; P179-L202 HydrophobicContact CB-CD2 4.25Å; P179-L202 HydrophobicContact CB-CG 4.19Å
180	C	98.1	Very high	98	Very high	9 Å²	9	22.5 Å²	22.5	6%	0.061	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	112	171.8	-177.1	0	0	0	0	109.3	L199 Y200 L202 E425	C180-L199 HydrophobicContact CB-CB 3.9Å; C180-L199 HydrophobicContact CB-CD1 4.46Å; C180-Y200 WeakPolarHBondContact CB-O 3.43Å; C180-Y200 PolarHBondContact N-O 3.2Å; C180-L202 PolarHBondContact O-N 3.39Å; C180-E425 PolarHBondContact SG-O 2.91Å
181	P	98.5	Very high	98	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.144	C	C	.	.	S	Bend	cis	-65.9	148.7	-1.6	26.5	-32.5	0	0	0	113.2	P179 L202 W208 P234 M389 F424 Y426	P179-P181 CarbonylContact C-O 3.58Å; P179-P181 CarbonylContact O-C 3.6Å; P181-L202 WeakPolarHBondContact O-CD1 3.33Å; P181-W208 HydrophobicContact CG-CE3 4.19Å; P181-W208 HydrophobicContact CG-CH2 4.32Å; P181-W208 HydrophobicContact CG-CZ3 3.88Å; P181-P234 HydrophobicContact CB-CG 3.74Å; P181-P234 HydrophobicContact CG-CG 4.25Å; P181-M389 HydrophobicContact CB-CE 4.17Å; P181-M389 HydrophobicContact CG-CE 4.06Å; P181-F424 WeakPolarHBondContact CA-O 3.38Å; P181-F424 HydrophobicContact CB-CB 3.94Å; P181-Y426 HydrophobicContact CB-CG 4.07Å; P181-Y426 HydrophobicContact CG-CD1 4.36Å; P181-Y426 HydrophobicContact CG-CD2 4.43Å; P181-Y426 HydrophobicContact CG-CG 4.09Å
182	G	97.5	Very high	97.9	Very high	5 Å²	5	20.1 Å²	20.1	5%	0.052	12%	0.12	C	C	.	.			trans	-153.3	156.5	-179.5	0	0	0	0	0	114.2	P179 S184 F424	P179-G182 VanDerWaalsContact O-CA 3.28Å; P179-G182 WeakPolarHBondContact O-CA 3.18Å; P179-G182 PolarHBondContact O-N 3.2Å; G182-S184 PolarHBondContact O-N 2.94Å; G182-F424 PolarHBondContact N-O 3.23Å; G182-F424 WeakPolarHBondContact O-CD1 3.26Å
183	F	97.8	Very high	97.9	Very high	55 Å²	55	17.1 Å²	17.1	24%	0.241	10%	0.098	C	C	.	.			trans	-59.1	124.9	-179.5	-176.6	-130.3	0	0	0	111.9	L185 Y186 N233	F183-L185 HydrophobicContact CD1-CB 3.59Å; F183-L185 HydrophobicContact CE1-CB 3.27Å; F183-L185 HydrophobicContact CE1-CD2 3.78Å; F183-L185 HydrophobicContact CE1-CG 4.16Å; F183-L185 HydrophobicContact CG-CB 4.44Å; F183-L185 HydrophobicContact CZ-CB 3.88Å; F183-L185 PolarHBondContact O-N 2.82Å; F183-Y186 HydrophobicContact CB-CD2 4.32Å; F183-Y186 HydrophobicContact CB-CE2 3.69Å; F183-Y186 HydrophobicContact CD1-CE1 4.48Å; F183-Y186 WeakPolarHBondContact O-CD2 3.28Å; F183-Y186 PolarHBondContact O-N 3.27Å; F183-N233 WeakPolarHBondContact CD2-ND2 3.47Å; F183-N233 PolarHBondContact N-O 3.43Å
184	S	95.4	Very high	97.9	Very high	7 Å²	7	17.6 Å²	17.6	5%	0.049	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-14.7	-168.3	63.6	0	0	0	0	115.1	I70 G182 Y186 K187 T188	I70-S184 WeakPolarHBondContact CD1-OG 3.31Å; I70-S184 WeakPolarHBondContact CG1-OG 3.36Å; G182-S184 PolarHBondContact O-N 2.94Å; S184-Y186 VanDerWaalsContact C-N 3.33Å; S184-Y186 PolarHBondContact O-N 2.64Å; S184-K187 PolarHBondContact O-N 3.32Å; S184-T188 PolarHBondContact O-N 2.89Å; S184-T188 VanDerWaalsContact O-N 3.11Å; S184-T188 PolarHBondContact O-OG1 2.84Å
185	L	97.9	Very high	97.9	Very high	25 Å²	25	17 Å²	17	13%	0.131	10%	0.1	C	C	.	.	H	α-helix	trans	-63.8	-36.7	178.5	-176.7	62.6	0	0	0	112.3	I162 F183 K187 T188 L189	I162-L185 HydrophobicContact CD1-CD2 4.23Å; F183-L185 HydrophobicContact CD1-CB 3.59Å; F183-L185 HydrophobicContact CE1-CB 3.27Å; F183-L185 HydrophobicContact CE1-CD2 3.78Å; F183-L185 HydrophobicContact CE1-CG 4.16Å; F183-L185 HydrophobicContact CG-CB 4.44Å; F183-L185 HydrophobicContact CZ-CB 3.88Å; F183-L185 PolarHBondContact O-N 2.82Å; L185-K187 VanDerWaalsContact C-N 3.34Å; L185-K187 PolarHBondContact O-N 3.42Å; L185-T188 WeakPolarHBondContact O-CB 3.46Å; L185-T188 PolarHBondContact O-N 3.41Å; L185-L189 HydrophobicContact CD1-CD1 3.97Å; L185-L189 HydrophobicContact CD1-CD2 4.3Å; L185-L189 HydrophobicContact CD1-CG 3.84Å; L185-L189 HydrophobicContact CD2-CD1 4.25Å; L185-L189 HydrophobicContact CG-CD1 3.75Å; L185-L189 HydrophobicContact CG-CG 4.08Å; L185-L189 WeakPolarHBondContact O-CG 3.38Å; L185-L189 PolarHBondContact O-N 2.96Å
186	Y	98.4	Very high	97.9	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-59	-48.6	-179	-48	-48.7	0	0	0	110.9	I162 I178 F183 S184 L189 A190 I227 N229 D261	I162-Y186 HydrophobicContact CD1-CD1 4.48Å; I162-Y186 HydrophobicContact CD1-CE1 3.85Å; I162-Y186 HydrophobicContact CG1-CE1 4.4Å; I162-Y186 HydrophobicContact CG2-CD1 3.91Å; I162-Y186 HydrophobicContact CG2-CE1 4.27Å; I178-Y186 HydrophobicContact CB-CD2 4.49Å; F183-Y186 HydrophobicContact CB-CD2 4.32Å; F183-Y186 HydrophobicContact CB-CE2 3.69Å; F183-Y186 HydrophobicContact CD1-CE1 4.48Å; F183-Y186 WeakPolarHBondContact O-CD2 3.28Å; F183-Y186 PolarHBondContact O-N 3.27Å; S184-Y186 VanDerWaalsContact C-N 3.33Å; S184-Y186 PolarHBondContact O-N 2.64Å; Y186-L189 PolarHBondContact O-N 2.8Å; Y186-A190 VanDerWaalsContact O-CB 3.3Å; Y186-A190 WeakPolarHBondContact O-CB 3.3Å; Y186-A190 PolarHBondContact O-N 2.78Å; Y186-I227 HydrophobicContact CD1-CD1 4.02Å; Y186-I227 HydrophobicContact CD1-CG2 4.05Å; Y186-I227 HydrophobicContact CD2-CG2 4.19Å; Y186-I227 HydrophobicContact CE1-CG2 3.99Å; Y186-I227 HydrophobicContact CE2-CG2 4.11Å; Y186-I227 HydrophobicContact CG-CD1 4.06Å; Y186-I227 HydrophobicContact CG-CG2 4.18Å; Y186-N229 HydrophobicContact CE2-CB 4.4Å; Y186-N229 WeakPolarHBondContact OH-CB 3.44Å; Y186-D261 HydrophobicContact CE1-CB 4.34Å; Y186-D261 WeakPolarHBondContact OH-CB 3.43Å; Y186-D261 PolarHBondContact OH-OD2 2.91Å
187	K	97.6	Very high	97.8	Very high	58 Å²	58	24.2 Å²	24.2	25%	0.252	14%	0.136	S	C	.	.	H	α-helix	trans	-63.1	-44.5	176.5	-175.3	173.1	-179	-179.7	0	111.7	P69 I178 S184 L185 L189 A190 V191 V197 E425	P69-K187 HydrophobicContact CG-CD 4.45Å; I178-K187 HydrophobicContact CD1-CB 3.99Å; S184-K187 PolarHBondContact O-N 3.32Å; L185-K187 VanDerWaalsContact C-N 3.34Å; L185-K187 PolarHBondContact O-N 3.42Å; K187-L189 PolarHBondContact O-N 3.29Å; K187-A190 PolarHBondContact O-N 2.92Å; K187-V191 HydrophobicContact CG-CG2 4.14Å; K187-V191 WeakPolarHBondContact O-CB 3.29Å; K187-V191 WeakPolarHBondContact O-CG2 3.46Å; K187-V191 PolarHBondContact O-N 2.79Å; K187-V197 HydrophobicContact CG-CG2 4.28Å; K187-E425 HydrophobicContact CD-CG 4.38Å; K187-E425 WeakPolarHBondContact CD-OE1 3.49Å; K187-E425 IonicContact NZ-OE1 3.37Å; K187-E425 PolarHBondContact NZ-OE1 3.15Å; K187-E425 IonicContact NZ-OE2 2.71Å; K187-E425 PolarHBondContact NZ-OE2 3.38Å
188	T	97.8	Very high	97.8	Very high	13 Å²	13	26.1 Å²	26.1	8%	0.08	14%	0.144	C	C	.	.	H	α-helix	trans	-56.6	-48.7	179.3	-55.7	0	0	0	0	111.4	T66 L67 P69 S184 L185 S192	T66-T188 HydrophobicContact CG2-CG2 4.19Å; L67-T188 WeakPolarHBondContact O-CG2 3.46Å; L67-T188 PolarHBondContact O-OG1 2.98Å; P69-T188 WeakPolarHBondContact CD-OG1 3.28Å; S184-T188 PolarHBondContact O-N 2.89Å; S184-T188 VanDerWaalsContact O-N 3.11Å; S184-T188 PolarHBondContact O-OG1 2.84Å; L185-T188 WeakPolarHBondContact O-CB 3.46Å; L185-T188 PolarHBondContact O-N 3.41Å; T188-S192 WeakPolarHBondContact O-CB 3.37Å; T188-S192 PolarHBondContact O-N 3.28Å; T188-S192 PolarHBondContact O-OG 3.21Å
189	L	98.3	Very high	97.8	Very high	24 Å²	24	28.1 Å²	28.1	13%	0.126	16%	0.155	C	C	.	.	H	α-helix	trans	-68	-51.1	-179.7	-68.1	173	0	0	0	111.2	I162 D163 I166 L185 Y186 K187 V191 S192 L193	I162-L189 HydrophobicContact CB-CD1 4.27Å; I162-L189 HydrophobicContact CG2-CD1 3.68Å; D163-L189 HydrophobicContact CB-CD1 4.12Å; D163-L189 HydrophobicContact CB-CD2 4.17Å; I166-L189 HydrophobicContact CD1-CB 4.27Å; I166-L189 HydrophobicContact CD1-CD1 4.47Å; L185-L189 HydrophobicContact CD1-CD1 3.97Å; L185-L189 HydrophobicContact CD1-CD2 4.3Å; L185-L189 HydrophobicContact CD1-CG 3.84Å; L185-L189 HydrophobicContact CD2-CD1 4.25Å; L185-L189 HydrophobicContact CG-CD1 3.75Å; L185-L189 HydrophobicContact CG-CG 4.08Å; L185-L189 WeakPolarHBondContact O-CG 3.38Å; L185-L189 PolarHBondContact O-N 2.96Å; Y186-L189 PolarHBondContact O-N 2.8Å; K187-L189 PolarHBondContact O-N 3.29Å; L189-V191 PolarHBondContact O-N 2.89Å; L189-S192 PolarHBondContact O-N 3.24Å; L189-S192 PolarHBondContact O-OG 3Å; L189-L193 WeakPolarHBondContact O-CG 3.34Å; L189-L193 PolarHBondContact O-N 3.15Å
190	A	97.9	Very high	97.8	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-57.8	-51.5	-177.5	0	0	0	0	0	112.3	I176 Y186 K187 S192 L193 G194 I195 V197	I176-A190 HydrophobicContact CD1-CB 3.64Å; I176-A190 HydrophobicContact CG1-CB 4.27Å; Y186-A190 VanDerWaalsContact O-CB 3.3Å; Y186-A190 WeakPolarHBondContact O-CB 3.3Å; Y186-A190 PolarHBondContact O-N 2.78Å; K187-A190 PolarHBondContact O-N 2.92Å; A190-S192 VanDerWaalsContact C-N 3.31Å; A190-S192 PolarHBondContact O-N 3.36Å; A190-L193 CarbonylContact O-C 3.52Å; A190-L193 PolarHBondContact O-N 2.84Å; A190-G194 PolarHBondContact O-N 2.93Å; A190-I195 CarbonylContact C-O 3.58Å; A190-I195 HydrophobicContact CB-CB 4.03Å; A190-I195 HydrophobicContact CB-CG2 4.2Å; A190-I195 WeakPolarHBondContact O-CB 3.48Å; A190-I195 PolarHBondContact O-N 2.79Å; A190-V197 HydrophobicContact CB-CG2 3.65Å
191	V	96.9	Very high	97.9	Very high	58 Å²	58	30.4 Å²	30.4	35%	0.352	17%	0.166	S	C	.	.	H	α-helix	trans	-63.8	-37.6	-178.7	174.6	0	0	0	0	111.5	K187 L189 L193 G194 V197	K187-V191 HydrophobicContact CG-CG2 4.14Å; K187-V191 WeakPolarHBondContact O-CB 3.29Å; K187-V191 WeakPolarHBondContact O-CG2 3.46Å; K187-V191 PolarHBondContact O-N 2.79Å; L189-V191 PolarHBondContact O-N 2.89Å; V191-L193 PolarHBondContact O-N 3.02Å; V191-G194 PolarHBondContact O-N 2.81Å; V191-V197 HydrophobicContact CG2-CG2 4.17Å
192	S	97.3	Very high	97.9	Very high	9 Å²	9	30.5 Å²	30.5	6%	0.063	17%	0.166	C	C	.	.	H	α-helix	trans	-61.1	-30	176.4	77.6	0	0	0	0	113	M62 T66 T188 L189 A190	M62-S192 WeakPolarHBondContact CG-O 3.17Å; T66-S192 VanDerWaalsContact OG1-CB 3.23Å; T66-S192 WeakPolarHBondContact OG1-CB 3.35Å; T188-S192 WeakPolarHBondContact O-CB 3.37Å; T188-S192 PolarHBondContact O-N 3.28Å; T188-S192 PolarHBondContact O-OG 3.21Å; L189-S192 PolarHBondContact O-N 3.24Å; L189-S192 PolarHBondContact O-OG 3Å; A190-S192 VanDerWaalsContact C-N 3.31Å; A190-S192 PolarHBondContact O-N 3.36Å
193	L	96.8	Very high	97.9	Very high	38 Å²	38	31.7 Å²	31.7	20%	0.199	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	1.9	179.4	-63.7	172.2	0	0	0	113	M62 I166 T167 L189 A190 V191 I195	M62-L193 HydrophobicContact CE-CD2 4.05Å; I166-L193 HydrophobicContact CG2-CD1 4.23Å; T167-L193 WeakPolarHBondContact OG1-CD1 3.34Å; L189-L193 WeakPolarHBondContact O-CG 3.34Å; L189-L193 PolarHBondContact O-N 3.15Å; A190-L193 CarbonylContact O-C 3.52Å; A190-L193 PolarHBondContact O-N 2.84Å; V191-L193 PolarHBondContact O-N 3.02Å; L193-I195 VanDerWaalsContact C-N 3.32Å; L193-I195 HydrophobicContact CB-CD1 3.79Å; L193-I195 HydrophobicContact CB-CG1 4.1Å; L193-I195 HydrophobicContact CD1-CD1 4.05Å
194	G	97.3	Very high	98	Very high	38 Å²	38	30 Å²	30	39%	0.392	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.8	22.4	-175.9	0	0	0	0	0	113.8	G173 A190 V191	G173-G194 PolarHBondContact N-O 3.39Å; A190-G194 PolarHBondContact O-N 2.93Å; V191-G194 PolarHBondContact O-N 2.81Å
195	I	98.4	Very high	98.1	Very high	6 Å²	6	36.1 Å²	36.1	3%	0.031	19%	0.194	C	C	.	.			trans	-91.7	135.3	175.2	-57.6	161.2	0	0	0	108.2	I166 C170 D174 I176 A190 L193	I166-I195 HydrophobicContact CG2-CD1 3.5Å; C170-I195 HydrophobicContact CB-CD1 3.43Å; C170-I195 VanDerWaalsContact CB-CD1 3.43Å; C170-I195 HydrophobicContact CB-CG1 3.96Å; C170-I195 HydrophobicContact CB-CG2 4.5Å; D174-I195 WeakPolarHBondContact O-CG2 3.35Å; I176-I195 HydrophobicContact CG1-CG2 4.22Å; I176-I195 HydrophobicContact CG2-CG2 4.07Å; A190-I195 CarbonylContact C-O 3.58Å; A190-I195 HydrophobicContact CB-CB 4.03Å; A190-I195 HydrophobicContact CB-CG2 4.2Å; A190-I195 WeakPolarHBondContact O-CB 3.48Å; A190-I195 PolarHBondContact O-N 2.79Å; L193-I195 VanDerWaalsContact C-N 3.32Å; L193-I195 HydrophobicContact CB-CD1 3.79Å; L193-I195 HydrophobicContact CB-CG1 4.1Å; L193-I195 HydrophobicContact CD1-CD1 4.05Å
196	Q	98.3	Very high	98.1	Very high	116 Å²	116	40.7 Å²	40.7	54%	0.542	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	145	176.8	-60.9	-179.4	13.1	0	0	110.7	D174 N175 I176	D174-Q196 PolarHBondContact O-N 3.47Å; N175-Q196 WeakPolarHBondContact CA-O 3.31Å; N175-Q196 HydrophobicContact CB-CB 3.86Å; I176-Q196 PolarHBondContact N-O 2.79Å
197	V	98.4	Very high	98	Very high	37 Å²	37	44.6 Å²	44.6	22%	0.224	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	125	-179.1	173.8	0	0	0	0	108.9	I178 K187 A190 V191 L199	I178-V197 HydrophobicContact CD1-CG1 3.35Å; I178-V197 HydrophobicContact CG1-CG1 3.6Å; I178-V197 HydrophobicContact CG2-CG1 4.47Å; K187-V197 HydrophobicContact CG-CG2 4.28Å; A190-V197 HydrophobicContact CB-CG2 3.65Å; V191-V197 HydrophobicContact CG2-CG2 4.17Å; V197-L199 HydrophobicContact CG1-CD2 3.82Å
198	K	98.7	Very high	98	Very high	40 Å²	40	41.9 Å²	41.9	17%	0.174	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	132.6	168.8	-64.8	-179.1	-179.2	169.2	0	109.2	N175 I176 L177 I178 L218 D220	N175-K198 HydrophobicContact CB-CD 4.49Å; N175-K198 HydrophobicContact CB-CG 4.49Å; N175-K198 PolarHBondContact ND2-NZ 2.77Å; N175-K198 WeakPolarHBondContact OD1-CD 3.43Å; N175-K198 WeakPolarHBondContact OD1-CE 3.37Å; N175-K198 PolarHBondContact OD1-NZ 3.29Å; I176-K198 PolarHBondContact O-N 3.21Å; L177-K198 CarbonylContact C-O 3.57Å; L177-K198 VanDerWaalsContact CA-O 3.32Å; L177-K198 WeakPolarHBondContact CA-O 3.43Å; L177-K198 HydrophobicContact CD1-CB 3.99Å; L177-K198 HydrophobicContact CD1-CD 4.06Å; L177-K198 HydrophobicContact CG-CB 4.17Å; I178-K198 PolarHBondContact N-O 3.11Å; K198-L218 HydrophobicContact CD-CB 4.34Å; K198-L218 VanDerWaalsContact CD-O 3.24Å; K198-L218 WeakPolarHBondContact CD-O 3.27Å; K198-L218 PolarHBondContact NZ-O 2.85Å; K198-D220 IonicContact NZ-OD1 3.94Å; K198-D220 PolarHBondContact NZ-OD1 3.31Å; K198-D220 IonicContact NZ-OD2 2.77Å; K198-D220 PolarHBondContact NZ-OD2 3.3Å
199	L	98.7	Very high	98.1	Very high	49 Å²	49	44 Å²	44	26%	0.257	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	116.1	-174.9	-62.3	-177.3	0	0	0	109.4	I178 C180 V197 H214 L218 E425	I178-L199 HydrophobicContact CD1-CD2 3.7Å; I178-L199 HydrophobicContact CG1-CD2 3.4Å; I178-L199 VanDerWaalsContact CG1-CD2 3.4Å; I178-L199 WeakPolarHBondContact O-CA 3.23Å; C180-L199 HydrophobicContact CB-CB 3.9Å; C180-L199 HydrophobicContact CB-CD1 4.46Å; V197-L199 HydrophobicContact CG1-CD2 3.82Å; L199-H214 PolarHBondContact O-CE1 3.35Å; L199-L218 WeakPolarHBondContact O-CD1 3.45Å; L199-E425 HydrophobicContact CD1-CB 3.79Å; L199-E425 HydrophobicContact CD1-CG 4.07Å
200	Y	98.8	Very high	98.1	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	150.1	169.1	66.7	-98.4	0	0	0	110.2	L177 I178 P179 C180 L202 V210 M215 I227 I228	L177-Y200 HydrophobicContact CB-CD1 3.97Å; L177-Y200 HydrophobicContact CB-CE1 4.44Å; I178-Y200 VanDerWaalsContact C-CD1 3.43Å; I178-Y200 WeakPolarHBondContact O-CD1 3.36Å; I178-Y200 PolarHBondContact O-N 2.82Å; P179-Y200 CarbonylContact C-O 3.01Å; P179-Y200 VanDerWaalsContact CA-CZ 3.46Å; P179-Y200 HydrophobicContact CB-CE1 4.33Å; P179-Y200 HydrophobicContact CB-CE2 3.71Å; P179-Y200 WeakPolarHBondContact CB-OH 3.48Å; P179-Y200 WeakPolarHBondContact CD-OH 3.32Å; P179-Y200 VanDerWaalsContact N-CE1 3.32Å; C180-Y200 WeakPolarHBondContact CB-O 3.43Å; C180-Y200 PolarHBondContact N-O 3.2Å; Y200-L202 HydrophobicContact CD2-CD2 4.23Å; Y200-L202 HydrophobicContact CE2-CD2 3.74Å; Y200-V210 HydrophobicContact CD2-CG1 3.85Å; Y200-V210 HydrophobicContact CE2-CG1 3.98Å; Y200-V210 HydrophobicContact CE2-CG2 3.94Å; Y200-M215 HydrophobicContact CD1-CE 3.64Å; Y200-M215 HydrophobicContact CD2-CE 3.59Å; Y200-M215 HydrophobicContact CE1-CE 3.55Å; Y200-M215 HydrophobicContact CE2-CE 3.52Å; Y200-M215 HydrophobicContact CG-CB 4.35Å; Y200-M215 HydrophobicContact CG-CE 3.64Å; Y200-M215 HydrophobicContact CG-CG 4.44Å; Y200-M215 VanDerWaalsContact CZ-CE 3.49Å; Y200-I227 WeakPolarHBondContact CE1-O 3.42Å; Y200-I227 PolarHBondContact OH-O 3.43Å; Y200-I228 WeakPolarHBondContact OH-CD1 3.43Å
201	N	98.7	Very high	98.2	Very high	60 Å²	60	45.1 Å²	45.1	32%	0.321	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	145.4	-172.1	-65.6	-13.3	0	0	0	110.7	D211 H214	N201-D211 HydrophobicContact CB-CB 4.05Å; N201-D211 PolarHBondContact O-N 2.82Å; N201-H214 PolarHBondContact N-ND1 2.7Å; N201-H214 PolarHBondContact ND2-ND1 3.21Å; N201-H214 PolarHBondContact OD1-CE1 3.02Å; N201-H214 VanDerWaalsContact OD1-CE1 3.29Å; N201-H214 PolarHBondContact OD1-ND1 3.05Å
202	L	98.9	Very high	98.3	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.01	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	145.5	160.1	-55.3	-175.7	0	0	0	108.8	P179 C180 P181 Y200 P204 W208 E209 V210 Y239	P179-L202 HydrophobicContact CB-CD1 4.05Å; P179-L202 HydrophobicContact CB-CD2 4.25Å; P179-L202 HydrophobicContact CB-CG 4.19Å; C180-L202 PolarHBondContact O-N 3.39Å; P181-L202 WeakPolarHBondContact O-CD1 3.33Å; Y200-L202 HydrophobicContact CD2-CD2 4.23Å; Y200-L202 HydrophobicContact CE2-CD2 3.74Å; L202-P204 VanDerWaalsContact O-CD 3.31Å; L202-P204 WeakPolarHBondContact O-CD 3.02Å; L202-W208 HydrophobicContact CB-CB 4.22Å; L202-W208 HydrophobicContact CB-CE3 3.84Å; L202-W208 HydrophobicContact CD1-CB 4.46Å; L202-E209 CarbonylContact C-O 3.6Å; L202-E209 WeakPolarHBondContact CA-O 3.39Å; L202-V210 HydrophobicContact CD2-CB 4.47Å; L202-V210 HydrophobicContact CD2-CG2 3.97Å; L202-Y239 WeakPolarHBondContact CD2-OH 3.18Å
203	L	98.8	Very high	98.3	Very high	30 Å²	30	51.7 Å²	51.7	16%	0.157	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	102.2	-171.5	-62.4	177.4	0	0	0	111.1	E205 K206 W208 E209 D211	L203-E205 PolarHBondContact O-N 3.47Å; L203-K206 HydrophobicContact CB-CB 4.11Å; L203-K206 HydrophobicContact CB-CG 4.49Å; L203-K206 HydrophobicContact CD1-CD 3.97Å; L203-K206 CarbonylContact O-C 3.51Å; L203-K206 PolarHBondContact O-N 3Å; L203-W208 WeakPolarHBondContact O-CA 3.15Å; L203-W208 PolarHBondContact O-N 2.81Å; L203-E209 PolarHBondContact N-O 3.24Å; L203-D211 HydrophobicContact CD1-CB 4.21Å; L203-D211 HydrophobicContact CD2-CB 4.06Å; L203-D211 HydrophobicContact CG-CB 4.07Å
204	P	98.3	Very high	98.4	Very high	20 Å²	20	52.2 Å²	52.2	13%	0.13	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-54.1	-39.8	-178.2	-7.2	6.2	0	0	0	113.3	L202 K206 S207 W208 V380 Y426 Y429	L202-P204 VanDerWaalsContact O-CD 3.31Å; L202-P204 WeakPolarHBondContact O-CD 3.02Å; P204-K206 PolarHBondContact O-N 3.39Å; P204-S207 PolarHBondContact O-N 3.26Å; P204-W208 HydrophobicContact CB-CD2 4.24Å; P204-W208 HydrophobicContact CB-CE3 4.09Å; P204-W208 HydrophobicContact CB-CH2 3.62Å; P204-W208 HydrophobicContact CB-CZ2 3.74Å; P204-W208 HydrophobicContact CB-CZ3 3.79Å; P204-W208 HydrophobicContact CG-CE3 4.03Å; P204-W208 HydrophobicContact CG-CH2 3.52Å; P204-W208 HydrophobicContact CG-CZ2 4.19Å; P204-W208 HydrophobicContact CG-CZ3 3.42Å; P204-W208 VanDerWaalsContact CG-CZ3 3.42Å; P204-V380 HydrophobicContact CB-CG2 4.19Å; P204-Y426 WeakPolarHBondContact CG-OH 3.43Å; P204-Y429 WeakPolarHBondContact CG-OH 3.24Å
205	E	97.6	Very high	98.5	Very high	136 Å²	136	50.4 Å²	50.4	64%	0.636	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-70.3	-11.9	-179.4	75.8	-70.8	173.7	0	0	113.8	L203	L203-E205 PolarHBondContact O-N 3.47Å
206	K	97.8	Very high	98.5	Very high	121 Å²	121	52.9 Å²	52.9	53%	0.526	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-119.7	42.5	173.8	-59.9	-173.6	-175.3	171.6	0	111.2	L203 P204 W208 E209	L203-K206 HydrophobicContact CB-CB 4.11Å; L203-K206 HydrophobicContact CB-CG 4.49Å; L203-K206 HydrophobicContact CD1-CD 3.97Å; L203-K206 CarbonylContact O-C 3.51Å; L203-K206 PolarHBondContact O-N 3Å; P204-K206 PolarHBondContact O-N 3.39Å; K206-W208 PolarHBondContact O-N 3.36Å; K206-W208 VanDerWaalsContact O-N 3.15Å; K206-E209 HydrophobicContact CB-CB 4.27Å; K206-E209 WeakPolarHBondContact O-CB 2.94Å; K206-E209 WeakPolarHBondContact O-CG 3.35Å; K206-E209 PolarHBondContact O-N 3.27Å
207	S	96.9	Very high	98.5	Very high	81 Å²	81	51.4 Å²	51.4	57%	0.566	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	34.4	176.9	-54.4	0	0	0	0	113.4	P204 E209 S237	P204-S207 PolarHBondContact O-N 3.26Å; S207-E209 VanDerWaalsContact C-N 3.25Å; S207-E209 PolarHBondContact O-N 3.24Å; S207-S237 VanDerWaalsContact O-CB 3.23Å; S207-S237 WeakPolarHBondContact O-CB 3.16Å
208	W	98.7	Very high	98.5	Very high	2 Å²	2	51.6 Å²	51.6	1%	0.008	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.9	27.4	-176.4	-55.4	103.8	0	0	0	114.8	P181 L202 L203 P204 K206 C235 Y239 V380 M389 Y426 Y429	P181-W208 HydrophobicContact CG-CE3 4.19Å; P181-W208 HydrophobicContact CG-CH2 4.32Å; P181-W208 HydrophobicContact CG-CZ3 3.88Å; L202-W208 HydrophobicContact CB-CB 4.22Å; L202-W208 HydrophobicContact CB-CE3 3.84Å; L202-W208 HydrophobicContact CD1-CB 4.46Å; L203-W208 WeakPolarHBondContact O-CA 3.15Å; L203-W208 PolarHBondContact O-N 2.81Å; P204-W208 HydrophobicContact CB-CD2 4.24Å; P204-W208 HydrophobicContact CB-CE3 4.09Å; P204-W208 HydrophobicContact CB-CH2 3.62Å; P204-W208 HydrophobicContact CB-CZ2 3.74Å; P204-W208 HydrophobicContact CB-CZ3 3.79Å; P204-W208 HydrophobicContact CG-CE3 4.03Å; P204-W208 HydrophobicContact CG-CH2 3.52Å; P204-W208 HydrophobicContact CG-CZ2 4.19Å; P204-W208 HydrophobicContact CG-CZ3 3.42Å; P204-W208 VanDerWaalsContact CG-CZ3 3.42Å; K206-W208 PolarHBondContact O-N 3.36Å; K206-W208 VanDerWaalsContact O-N 3.15Å; W208-C235 HydrophobicContact CB-CB 3.91Å; W208-C235 HydrophobicContact CD2-CB 4.2Å; W208-C235 HydrophobicContact CG-CB 3.64Å; W208-Y239 WeakPolarHBondContact O-CE1 3.4Å; W208-V380 HydrophobicContact CZ2-CG2 3.95Å; W208-V380 VanDerWaalsContact NE1-CG1 3.33Å; W208-M389 HydrophobicContact CZ2-CB 3.72Å; W208-M389 HydrophobicContact CZ2-CG 4.31Å; W208-Y426 HydrophobicContact CH2-CD1 4.19Å; W208-Y426 AromaticContact CH2-CE1 3.61Å; W208-Y426 HydrophobicContact CH2-CE1 3.61Å; W208-Y426 HydrophobicContact CZ3-CD1 4.38Å; W208-Y426 AromaticContact CZ3-CE1 3.74Å; W208-Y426 HydrophobicContact CZ3-CE1 3.74Å; W208-Y426 HydrophobicContact CZ3-CE2 4.47Å; W208-Y426 AromaticContact CZ3-CZ 3.8Å; W208-Y429 HydrophobicContact CH2-CD1 4Å; W208-Y429 AromaticContact CH2-CE1 3.63Å; W208-Y429 HydrophobicContact CH2-CE1 3.63Å; W208-Y429 HydrophobicContact CZ2-CD1 4.07Å; W208-Y429 AromaticContact CZ2-CE1 3.69Å; W208-Y429 HydrophobicContact CZ2-CE1 3.69Å
209	E	98.8	Very high	98.5	Very high	58 Å²	58	51.1 Å²	51.1	27%	0.271	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.2	150.7	167.6	-82.9	-167	179.2	0	0	111.5	L202 L203 K206 S207 D211 H243	L202-E209 CarbonylContact C-O 3.6Å; L202-E209 WeakPolarHBondContact CA-O 3.39Å; L203-E209 PolarHBondContact N-O 3.24Å; K206-E209 HydrophobicContact CB-CB 4.27Å; K206-E209 WeakPolarHBondContact O-CB 2.94Å; K206-E209 WeakPolarHBondContact O-CG 3.35Å; K206-E209 PolarHBondContact O-N 3.27Å; S207-E209 VanDerWaalsContact C-N 3.25Å; S207-E209 PolarHBondContact O-N 3.24Å; E209-D211 PolarHBondContact O-N 3.45Å; E209-H243 VanDerWaalsContact CB-CE1 3.46Å; E209-H243 WeakPolarHBondContact CB-CE1 3.39Å; E209-H243 HydrophobicContact CG-CB 4.42Å; E209-H243 IonicContact OE1-CG 3.98Å; E209-H243 IonicContact OE1-ND1 2.62Å; E209-H243 IonicContact OE2-CE1 3.65Å; E209-H243 IonicContact OE2-CG 3.72Å; E209-H243 IonicContact OE2-ND1 2.77Å; E209-H243 PolarHBondContact OE2-ND1 3.07Å
210	V	98.9	Very high	98.5	Very high	5 Å²	5	52.1 Å²	52.1	3%	0.03	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	131.4	175.3	179	0	0	0	0	110.1	Y200 L202 L212 M215 Y239 H243 V247	Y200-V210 HydrophobicContact CD2-CG1 3.85Å; Y200-V210 HydrophobicContact CE2-CG1 3.98Å; Y200-V210 HydrophobicContact CE2-CG2 3.94Å; L202-V210 HydrophobicContact CD2-CB 4.47Å; L202-V210 HydrophobicContact CD2-CG2 3.97Å; V210-L212 VanDerWaalsContact C-N 3.34Å; V210-L212 HydrophobicContact CB-CD2 4.22Å; V210-L212 HydrophobicContact CG1-CD2 4.03Å; V210-L212 PolarHBondContact O-N 2.99Å; V210-M215 HydrophobicContact CB-CE 4.47Å; V210-M215 HydrophobicContact CG1-CB 4.13Å; V210-M215 HydrophobicContact CG1-CE 3.33Å; V210-M215 HydrophobicContact CG1-SD 3.94Å; V210-M215 HydrophobicContact CG2-CE 4.34Å; V210-Y239 HydrophobicContact CG2-CE2 4.08Å; V210-H243 WeakPolarHBondContact CB-NE2 3.5Å; V210-H243 PolarHBondContact N-CE1 2.76Å; V210-H243 PolarHBondContact N-NE2 2.66Å; V210-H243 PolarHBondContact O-CE1 2.99Å; V210-V247 HydrophobicContact CB-CG2 4.29Å; V210-V247 HydrophobicContact CG2-CG2 4.07Å
211	D	98.8	Very high	98.4	Very high	41 Å²	41	60.3 Å²	60.3	22%	0.219	32%	0.315	C	S	.	.			trans	-71.7	93.3	161.2	-174.9	-18.6	0	0	0	109.1	N201 L203 E209 Q213 H214 M215	N201-D211 HydrophobicContact CB-CB 4.05Å; N201-D211 PolarHBondContact O-N 2.82Å; L203-D211 HydrophobicContact CD1-CB 4.21Å; L203-D211 HydrophobicContact CD2-CB 4.06Å; L203-D211 HydrophobicContact CG-CB 4.07Å; E209-D211 PolarHBondContact O-N 3.45Å; D211-Q213 VanDerWaalsContact C-N 3.26Å; D211-Q213 PolarHBondContact O-N 3.43Å; D211-Q213 PolarHBondContact OD1-N 3.48Å; D211-H214 HydrophobicContact CB-CB 3.9Å; D211-H214 PolarHBondContact O-N 3.46Å; D211-H214 PolarHBondContact OD1-N 3.22Å; D211-H214 WeakPolarHBondContact OD2-CB 3.36Å; D211-M215 WeakPolarHBondContact O-CB 3.32Å; D211-M215 PolarHBondContact O-N 3.46Å
212	L	98.8	Very high	98.4	Very high	43 Å²	43	63.2 Å²	63.2	23%	0.225	32%	0.322	C	S	.	.	H	α-helix	trans	-62.4	-34.1	-175.8	-61.7	172.6	0	0	0	112.5	V210 E216 N246 V247 V250	V210-L212 VanDerWaalsContact C-N 3.34Å; V210-L212 HydrophobicContact CB-CD2 4.22Å; V210-L212 HydrophobicContact CG1-CD2 4.03Å; V210-L212 PolarHBondContact O-N 2.99Å; L212-E216 WeakPolarHBondContact O-CB 3.38Å; L212-E216 PolarHBondContact O-N 3.36Å; L212-N246 HydrophobicContact CD1-CB 3.51Å; L212-V247 HydrophobicContact CD2-CB 4.46Å; L212-V247 HydrophobicContact CD2-CG2 3.7Å; L212-V250 HydrophobicContact CB-CG2 4.48Å; L212-V250 HydrophobicContact CD2-CG2 4.32Å
213	Q	98.7	Very high	98.4	Very high	162 Å²	162	63.8 Å²	63.8	76%	0.757	33%	0.325	S	S	*	.	H	α-helix	trans	-71.3	-44.7	179.4	-176.7	178.5	1.1	0	0	110.2	D211 E216 S217	D211-Q213 VanDerWaalsContact C-N 3.26Å; D211-Q213 PolarHBondContact O-N 3.43Å; D211-Q213 PolarHBondContact OD1-N 3.48Å; Q213-E216 PolarHBondContact O-N 2.93Å; Q213-S217 WeakPolarHBondContact O-CB 3.25Å; Q213-S217 PolarHBondContact O-N 3.45Å
214	H	98.8	Very high	98.4	Very high	50 Å²	50	63.9 Å²	63.9	23%	0.231	33%	0.327	C	S	.	.	H	α-helix	trans	-63.3	-46.3	175.2	-176	-133.8	0	0	0	111.1	L199 N201 D211 E216 S217 L218	L199-H214 PolarHBondContact O-CE1 3.35Å; N201-H214 PolarHBondContact N-ND1 2.7Å; N201-H214 PolarHBondContact ND2-ND1 3.21Å; N201-H214 PolarHBondContact OD1-CE1 3.02Å; N201-H214 VanDerWaalsContact OD1-CE1 3.29Å; N201-H214 PolarHBondContact OD1-ND1 3.05Å; D211-H214 HydrophobicContact CB-CB 3.9Å; D211-H214 PolarHBondContact O-N 3.46Å; D211-H214 PolarHBondContact OD1-N 3.22Å; D211-H214 WeakPolarHBondContact OD2-CB 3.36Å; H214-E216 PolarHBondContact O-N 3.11Å; H214-S217 PolarHBondContact O-N 3.3Å; H214-S217 PolarHBondContact O-OG 3.43Å; H214-L218 WeakPolarHBondContact O-CG 3.28Å; H214-L218 PolarHBondContact O-N 2.9Å
215	M	98.7	Very high	98.4	Very high	0 Å²	0	63 Å²	63	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-53.6	-51.8	175.1	176.2	-177.1	-82.8	0	0	111.6	L177 Y200 V210 D211 S217 L218 L226 I228 V250	L177-M215 HydrophobicContact CD2-CG 3.99Å; L177-M215 WeakPolarHBondContact CD2-O 3.42Å; Y200-M215 HydrophobicContact CD1-CE 3.64Å; Y200-M215 HydrophobicContact CD2-CE 3.59Å; Y200-M215 HydrophobicContact CE1-CE 3.55Å; Y200-M215 HydrophobicContact CE2-CE 3.52Å; Y200-M215 HydrophobicContact CG-CB 4.35Å; Y200-M215 HydrophobicContact CG-CE 3.64Å; Y200-M215 HydrophobicContact CG-CG 4.44Å; Y200-M215 VanDerWaalsContact CZ-CE 3.49Å; V210-M215 HydrophobicContact CB-CE 4.47Å; V210-M215 HydrophobicContact CG1-CB 4.13Å; V210-M215 HydrophobicContact CG1-CE 3.33Å; V210-M215 HydrophobicContact CG1-SD 3.94Å; V210-M215 HydrophobicContact CG2-CE 4.34Å; D211-M215 WeakPolarHBondContact O-CB 3.32Å; D211-M215 PolarHBondContact O-N 3.46Å; M215-S217 VanDerWaalsContact C-N 3.3Å; M215-S217 PolarHBondContact O-N 2.92Å; M215-L218 PolarHBondContact O-N 3.45Å; M215-L226 HydrophobicContact SD-CD1 4.38Å; M215-I228 HydrophobicContact CE-CD1 3.8Å; M215-V250 HydrophobicContact SD-CG1 4.46Å
216	E	98.6	Very high	98.4	Very high	57 Å²	57	56.5 Å²	56.5	27%	0.266	29%	0.291	S	S	.	.	H	α-helix	trans	-63.9	-36.1	-178.9	-176.2	163.2	-135.8	0	0	112.1	L212 Q213 H214 L218 I219 V250 K253 N254	L212-E216 WeakPolarHBondContact O-CB 3.38Å; L212-E216 PolarHBondContact O-N 3.36Å; Q213-E216 PolarHBondContact O-N 2.93Å; H214-E216 PolarHBondContact O-N 3.11Å; E216-L218 PolarHBondContact O-N 3.39Å; E216-I219 PolarHBondContact O-N 3.5Å; E216-V250 HydrophobicContact CB-CG1 4.03Å; E216-V250 HydrophobicContact CG-CG1 4.39Å; E216-K253 VanDerWaalsContact CD-NZ 3.27Å; E216-K253 VanDerWaalsContact OE1-CD 3.27Å; E216-K253 WeakPolarHBondContact OE1-CD 3.38Å; E216-K253 WeakPolarHBondContact OE1-CE 3.47Å; E216-K253 IonicContact OE1-NZ 2.68Å; E216-K253 PolarHBondContact OE1-NZ 3.32Å; E216-K253 IonicContact OE2-NZ 3.15Å; E216-K253 PolarHBondContact OE2-NZ 2.86Å; E216-K253 VanDerWaalsContact OE2-NZ 3.15Å; E216-N254 PolarHBondContact OE1-ND2 3.42Å; E216-N254 VanDerWaalsContact OE1-ND2 3.09Å
217	S	98.6	Very high	98.5	Very high	85 Å²	85	50.7 Å²	50.7	59%	0.594	27%	0.266	S	S	*	.	H	α-helix	trans	-66.5	-20.1	179.1	76.6	0	0	0	0	114.8	Q213 H214 M215	Q213-S217 WeakPolarHBondContact O-CB 3.25Å; Q213-S217 PolarHBondContact O-N 3.45Å; H214-S217 PolarHBondContact O-N 3.3Å; H214-S217 PolarHBondContact O-OG 3.43Å; M215-S217 VanDerWaalsContact C-N 3.3Å; M215-S217 PolarHBondContact O-N 2.92Å
218	L	98.8	Very high	98.6	Very high	41 Å²	41	47 Å²	47	22%	0.215	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-15.3	-178.7	-69.2	170	0	0	0	113.1	L177 K198 L199 H214 M215 E216	L177-L218 HydrophobicContact CD2-CB 3.92Å; L177-L218 HydrophobicContact CG-CB 4.29Å; K198-L218 HydrophobicContact CD-CB 4.34Å; K198-L218 VanDerWaalsContact CD-O 3.24Å; K198-L218 WeakPolarHBondContact CD-O 3.27Å; K198-L218 PolarHBondContact NZ-O 2.85Å; L199-L218 WeakPolarHBondContact O-CD1 3.45Å; H214-L218 WeakPolarHBondContact O-CG 3.28Å; H214-L218 PolarHBondContact O-N 2.9Å; M215-L218 PolarHBondContact O-N 3.45Å; E216-L218 PolarHBondContact O-N 3.39Å
219	I	98.7	Very high	98.6	Very high	31 Å²	31	47 Å²	47	16%	0.159	24%	0.24	C	C	.	.			trans	-68.9	134	-178.3	-68.6	171.6	0	0	0	110.1	L177 E216 L226 V250 N254 I256	L177-I219 HydrophobicContact CD2-CG1 3.94Å; E216-I219 PolarHBondContact O-N 3.5Å; I219-L226 HydrophobicContact CD1-CD2 4.5Å; I219-L226 HydrophobicContact CG1-CD2 4.49Å; I219-V250 HydrophobicContact CD1-CG1 4.09Å; I219-N254 HydrophobicContact CD1-CB 3.96Å; I219-N254 HydrophobicContact CG2-CB 4.21Å; I219-I256 HydrophobicContact CB-CD1 4.3Å; I219-I256 HydrophobicContact CD1-CD1 3.89Å; I219-I256 HydrophobicContact CG1-CD1 3.92Å; I219-I256 HydrophobicContact CG2-CD1 3.45Å; I219-I256 VanDerWaalsContact CG2-CD1 3.45Å
220	D	98.3	Very high	98.6	Very high	70 Å²	70	44.5 Å²	44.5	37%	0.374	23%	0.228	S	C	.	.			trans	-139.9	-179.5	170.3	67.7	17.5	0	0	0	111.9	N175 K198 R222 T223	N175-D220 PolarHBondContact ND2-OD1 3.38Å; K198-D220 IonicContact NZ-OD1 3.94Å; K198-D220 PolarHBondContact NZ-OD1 3.31Å; K198-D220 IonicContact NZ-OD2 2.77Å; K198-D220 PolarHBondContact NZ-OD2 3.3Å; D220-R222 PolarHBondContact O-N 2.91Å; D220-R222 WeakPolarHBondContact OD1-CA 3.38Å; D220-R222 WeakPolarHBondContact OD1-CB 3.42Å; D220-R222 PolarHBondContact OD1-N 3.46Å; D220-T223 PolarHBondContact N-OG1 3.1Å; D220-T223 WeakPolarHBondContact O-CB 3.48Å; D220-T223 PolarHBondContact O-N 3.26Å; D220-T223 PolarHBondContact O-OG1 3.21Å; D220-T223 PolarHBondContact OD1-N 2.57Å; D220-T223 VanDerWaalsContact OD1-N 3.09Å; D220-T223 PolarHBondContact OD1-OG1 3.13Å
221	D	97.4	Very high	98.6	Very high	172 Å²	172	44.2 Å²	44.2	92%	0.92	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-10.3	-179.2	-61.3	-19.4	0	0	0	114.3
222	R	97.9	Very high	98.6	Very high	121 Å²	121	42.3 Å²	42.3	46%	0.457	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.5	-0.4	176.8	-64	-60.3	-61.9	-102.7	4.2	112.3	G173 D174 N175 D220 T224	G173-R222 PolarHBondContact O-NH2 3.46Å; G173-R222 VanDerWaalsContact O-NH2 3.15Å; D174-R222 IonicContact OD1-CZ 3.47Å; D174-R222 IonicContact OD1-NE 3.26Å; D174-R222 PolarHBondContact OD1-NE 2.85Å; D174-R222 IonicContact OD1-NH2 2.8Å; D174-R222 PolarHBondContact OD1-NH2 3.4Å; N175-R222 PolarHBondContact N-O 3.35Å; N175-R222 WeakPolarHBondContact ND2-CB 3.44Å; N175-R222 PolarHBondContact ND2-O 3.45Å; D220-R222 PolarHBondContact O-N 2.91Å; D220-R222 WeakPolarHBondContact OD1-CA 3.38Å; D220-R222 WeakPolarHBondContact OD1-CB 3.42Å; D220-R222 PolarHBondContact OD1-N 3.46Å; R222-T224 PolarHBondContact O-N 3.1Å; R222-T224 PolarHBondContact O-OG1 3.33Å
223	T	98.7	Very high	98.6	Very high	14 Å²	14	40.6 Å²	40.6	9%	0.086	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	115.4	176.5	-60.5	0	0	0	0	110	N175 L177 D220 L226 I256	N175-T223 PolarHBondContact ND2-N 2.89Å; N175-T223 WeakPolarHBondContact O-CA 3.3Å; N175-T223 WeakPolarHBondContact OD1-CA 3.39Å; N175-T223 WeakPolarHBondContact OD1-CB 3.22Å; N175-T223 PolarHBondContact OD1-OG1 2.91Å; L177-T223 HydrophobicContact CD1-CG2 3.54Å; D220-T223 PolarHBondContact N-OG1 3.1Å; D220-T223 WeakPolarHBondContact O-CB 3.48Å; D220-T223 PolarHBondContact O-N 3.26Å; D220-T223 PolarHBondContact O-OG1 3.21Å; D220-T223 PolarHBondContact OD1-N 2.57Å; D220-T223 VanDerWaalsContact OD1-N 3.09Å; D220-T223 PolarHBondContact OD1-OG1 3.13Å; T223-L226 HydrophobicContact CG2-CD2 4.39Å; T223-I256 HydrophobicContact CG2-CD1 3.63Å; T223-I256 HydrophobicContact CG2-CG2 4.31Å
224	T	98.1	Very high	98.6	Very high	31 Å²	31	32.9 Å²	32.9	19%	0.19	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	-23	-172.5	-57.1	0	0	0	0	113.2	L169 D174 N175 R222 P257	L169-T224 HydrophobicContact CB-CG2 4.26Å; L169-T224 WeakPolarHBondContact O-CG2 3.4Å; D174-T224 WeakPolarHBondContact CB-OG1 3.46Å; D174-T224 PolarHBondContact OD2-OG1 3.41Å; N175-T224 PolarHBondContact O-N 2.71Å; R222-T224 PolarHBondContact O-N 3.1Å; R222-T224 PolarHBondContact O-OG1 3.33Å; T224-P257 WeakPolarHBondContact O-CD 3.4Å; T224-P257 VanDerWaalsContact O-CG 3.24Å; T224-P257 WeakPolarHBondContact O-CG 3.08Å
225	C	98.1	Very high	98.6	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.007	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	142.2	-177.6	-175.8	0	0	0	0	112	L169 I176 L177 L259	L169-C225 HydrophobicContact CD1-CB 4.14Å; I176-C225 WeakPolarHBondContact CA-O 3.46Å; I176-C225 HydrophobicContact CG2-CB 3.96Å; L177-C225 PolarHBondContact N-O 3.28Å; C225-L259 VanDerWaalsContact SG-CB 3.52Å
226	L	98.8	Very high	98.5	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	125	164.8	-53	-178.3	0	0	0	109.1	L177 M215 I219 T223 A251 I256 P257 I258 L259	L177-L226 HydrophobicContact CB-CD2 3.64Å; L177-L226 HydrophobicContact CD1-CD2 4.38Å; L177-L226 HydrophobicContact CD2-CD2 3.66Å; L177-L226 HydrophobicContact CG-CD2 4.11Å; M215-L226 HydrophobicContact SD-CD1 4.38Å; I219-L226 HydrophobicContact CD1-CD2 4.5Å; I219-L226 HydrophobicContact CG1-CD2 4.49Å; T223-L226 HydrophobicContact CG2-CD2 4.39Å; L226-A251 HydrophobicContact CD1-CB 3.9Å; L226-I256 HydrophobicContact CD2-CG2 4.26Å; L226-I256 HydrophobicContact CG-CB 4.28Å; L226-I256 HydrophobicContact CG-CG2 3.84Å; L226-P257 PolarHBondContact N-O 3.12Å; L226-P257 VanDerWaalsContact N-O 3.1Å; L226-I258 HydrophobicContact CB-CG1 4.33Å; L226-I258 CarbonylContact O-C 3.59Å; L226-I258 WeakPolarHBondContact O-CA 3.33Å; L226-L259 PolarHBondContact O-N 3.29Å
227	I	98.9	Very high	98.5	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	123.8	172.2	-56.8	-168.3	0	0	0	109.1	I166 I176 L177 I178 Y186 Y200 L259	I166-I227 HydrophobicContact CD1-CD1 4.03Å; I166-I227 HydrophobicContact CG1-CD1 4.37Å; I176-I227 HydrophobicContact CD1-CD1 3.81Å; L177-I227 PolarHBondContact O-N 3.46Å; I178-I227 HydrophobicContact CG2-CB 4.24Å; I178-I227 HydrophobicContact CG2-CD1 3.84Å; I178-I227 HydrophobicContact CG2-CG1 4.15Å; Y186-I227 HydrophobicContact CD1-CD1 4.02Å; Y186-I227 HydrophobicContact CD1-CG2 4.05Å; Y186-I227 HydrophobicContact CD2-CG2 4.19Å; Y186-I227 HydrophobicContact CE1-CG2 3.99Å; Y186-I227 HydrophobicContact CE2-CG2 4.11Å; Y186-I227 HydrophobicContact CG-CD1 4.06Å; Y186-I227 HydrophobicContact CG-CG2 4.18Å; Y200-I227 WeakPolarHBondContact CE1-O 3.42Å; Y200-I227 PolarHBondContact OH-O 3.43Å; I227-L259 WeakPolarHBondContact CA-O 3.35Å; I227-L259 HydrophobicContact CD1-CD2 3.93Å; I227-L259 HydrophobicContact CG1-CB 4.22Å; I227-L259 HydrophobicContact CG1-CD2 4.11Å; I227-L259 HydrophobicContact CG1-CG 4.39Å
228	I	98.9	Very high	98.6	Very high	3 Å²	3	25.2 Å²	25.2	2%	0.015	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	127	173.3	-53.8	-60.8	0	0	0	108.4	Y200 M215 N230 Y239 V247 I258 L259 A260 D261 M277	Y200-I228 WeakPolarHBondContact OH-CD1 3.43Å; M215-I228 HydrophobicContact CE-CD1 3.8Å; I228-N230 HydrophobicContact CG2-CB 4.44Å; I228-Y239 HydrophobicContact CG2-CD2 4.43Å; I228-Y239 HydrophobicContact CG2-CE2 3.98Å; I228-V247 HydrophobicContact CD1-CG1 3.65Å; I228-V247 HydrophobicContact CG1-CG1 4.01Å; I228-I258 HydrophobicContact CB-CG2 4.29Å; I228-I258 HydrophobicContact CG1-CG2 3.81Å; I228-L259 PolarHBondContact N-O 2.87Å; I228-A260 CarbonylContact O-C 3.38Å; I228-A260 WeakPolarHBondContact O-CA 3.44Å; I228-D261 PolarHBondContact O-N 3.46Å; I228-M277 HydrophobicContact CB-CE 4.18Å; I228-M277 HydrophobicContact CB-SD 4.43Å; I228-M277 HydrophobicContact CG1-CE 4.01Å; I228-M277 HydrophobicContact CG1-SD 4.23Å; I228-M277 HydrophobicContact CG2-CE 3.77Å
229	N	98.9	Very high	98.5	Very high	3 Å²	3	23.6 Å²	23.6	2%	0.016	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	109.3	174	175.2	-136.7	0	0	0	110.3	Y186 P231 S232 N233 D261	Y186-N229 HydrophobicContact CE2-CB 4.4Å; Y186-N229 WeakPolarHBondContact OH-CB 3.44Å; N229-P231 PolarHBondContact ND2-O 3.16Å; N229-P231 VanDerWaalsContact ND2-O 3.16Å; N229-S232 WeakPolarHBondContact OD1-CA 3.28Å; N229-N233 PolarHBondContact OD1-N 2.9Å; N229-N233 PolarHBondContact OD1-O 3.09Å; N229-D261 WeakPolarHBondContact CA-O 3.3Å; N229-D261 HydrophobicContact CB-CB 4.25Å; N229-D261 PolarHBondContact ND2-O 2.95Å
230	N	98.8	Very high	98.5	Very high	4 Å²	4	24.6 Å²	24.6	2%	0.021	13%	0.129	C	C	.	.	S	Bend	trans	-147.7	120.8	-176.5	179.1	58.4	0	0	0	111	I228 V238 Y239 D261	I228-N230 HydrophobicContact CG2-CB 4.44Å; N230-V238 WeakPolarHBondContact OD1-CA 3.43Å; N230-Y239 HydrophobicContact CB-CD2 3.84Å; N230-Y239 HydrophobicContact CB-CE2 4.16Å; N230-Y239 PolarHBondContact OD1-N 3.27Å; N230-D261 PolarHBondContact N-O 2.7Å
231	P	98.8	Very high	98.5	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.134	C	C	.	.	S	Bend	cis	-61.1	152.4	-6.5	-25.7	36.4	0	0	0	114.6	N229 S237 V238 Y264 V268 A385	N229-P231 PolarHBondContact ND2-O 3.16Å; N229-P231 VanDerWaalsContact ND2-O 3.16Å; P231-S237 VanDerWaalsContact CA-O 3.27Å; P231-S237 WeakPolarHBondContact CA-O 3.48Å; P231-V238 HydrophobicContact CB-CG2 3.99Å; P231-V238 HydrophobicContact CG-CG2 4Å; P231-Y264 WeakPolarHBondContact CD-O 3.37Å; P231-Y264 WeakPolarHBondContact CG-O 3.23Å; P231-V268 HydrophobicContact CG-CG2 3.93Å; P231-A385 HydrophobicContact CB-CB 4.11Å
232	S	98.9	Very high	98.6	Very high	1 Å²	1	25 Å²	25	1%	0.007	12%	0.121	C	C	.	.			trans	-87.9	136.2	-167	-178.2	0	0	0	0	115.1	N229 C235 G236 S237	N229-S232 WeakPolarHBondContact OD1-CA 3.28Å; S232-C235 WeakPolarHBondContact OG-CB 3.41Å; S232-C235 PolarHBondContact OG-N 3.19Å; S232-C235 PolarHBondContact OG-SG 2.95Å; S232-C235 VanDerWaalsContact OG-SG 3.4Å; S232-G236 WeakPolarHBondContact O-CA 3.21Å; S232-G236 PolarHBondContact O-N 3.25Å; S232-S237 WeakPolarHBondContact CB-OG 3.45Å; S232-S237 PolarHBondContact N-O 2.99Å
233	N	98.6	Very high	98.6	Very high	7 Å²	7	19.4 Å²	19.4	4%	0.037	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.1	115.8	152.9	174.7	16.3	0	0	0	107.7	F183 N229 Y264 Y387 R431	F183-N233 WeakPolarHBondContact CD2-ND2 3.47Å; F183-N233 PolarHBondContact N-O 3.43Å; N229-N233 PolarHBondContact OD1-N 2.9Å; N229-N233 PolarHBondContact OD1-O 3.09Å; N233-Y264 HydrophobicContact CB-CE2 3.86Å; N233-Y387 HydrophobicContact CB-CD2 3.75Å; N233-Y387 HydrophobicContact CB-CE2 3.55Å; N233-R431 PolarHBondContact OD1-NH1 3.33Å
234	P	98.5	Very high	98.6	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	cis	-101.3	-2.8	24	39.2	-39.2	0	0	0	116.5	P181 G236 Y387 M389 F424 R431	P181-P234 HydrophobicContact CB-CG 3.74Å; P181-P234 HydrophobicContact CG-CG 4.25Å; P234-G236 PolarHBondContact O-N 3.45Å; P234-Y387 WeakPolarHBondContact O-CB 3.17Å; P234-M389 HydrophobicContact CB-CG 4.29Å; P234-M389 HydrophobicContact CB-SD 3.68Å; P234-M389 HydrophobicContact CG-CE 4.21Å; P234-M389 HydrophobicContact CG-CG 4.3Å; P234-M389 HydrophobicContact CG-SD 3.73Å; P234-M389 WeakPolarHBondContact O-CG 3.3Å; P234-F424 HydrophobicContact CB-CD1 4.34Å; P234-F424 HydrophobicContact CB-CD2 3.87Å; P234-F424 HydrophobicContact CB-CE1 4.29Å; P234-F424 HydrophobicContact CB-CE2 3.85Å; P234-F424 HydrophobicContact CB-CG 4.14Å; P234-F424 HydrophobicContact CB-CZ 4.06Å; P234-F424 HydrophobicContact CG-CB 4.09Å; P234-F424 HydrophobicContact CG-CD1 4.18Å; P234-F424 HydrophobicContact CG-CD2 3.85Å; P234-F424 HydrophobicContact CG-CE2 4.34Å; P234-F424 HydrophobicContact CG-CG 3.77Å; P234-R431 HydrophobicContact CB-CB 4.3Å; P234-R431 HydrophobicContact CB-CG 3.8Å
235	C	98.8	Very high	98.6	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.007	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-24.8	-162	-49.8	0	0	0	0	115.2	W208 S232 S237	W208-C235 HydrophobicContact CB-CB 3.91Å; W208-C235 HydrophobicContact CD2-CB 4.2Å; W208-C235 HydrophobicContact CG-CB 3.64Å; S232-C235 WeakPolarHBondContact OG-CB 3.41Å; S232-C235 PolarHBondContact OG-N 3.19Å; S232-C235 PolarHBondContact OG-SG 2.95Å; S232-C235 VanDerWaalsContact OG-SG 3.4Å; C235-S237 PolarHBondContact O-N 3.08Å
236	G	98.6	Very high	98.7	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.127	C	C	.	.			trans	68.4	9.8	-169.1	0	0	0	0	0	114	S232 P234 P382 A383 G384 Y387	S232-G236 WeakPolarHBondContact O-CA 3.21Å; S232-G236 PolarHBondContact O-N 3.25Å; P234-G236 PolarHBondContact O-N 3.45Å; G236-P382 CarbonylContact O-C 3.58Å; G236-P382 WeakPolarHBondContact O-CA 3.22Å; G236-P382 WeakPolarHBondContact O-CB 3.39Å; G236-A383 PolarHBondContact O-N 2.86Å; G236-G384 WeakPolarHBondContact CA-O 3.44Å; G236-G384 PolarHBondContact O-N 2.8Å; G236-Y387 WeakPolarHBondContact CA-O 3.34Å
237	S	98.6	Very high	98.7	Very high	6 Å²	6	25.6 Å²	25.6	4%	0.042	13%	0.127	C	C	.	.			trans	-73.9	152.3	179.6	56	0	0	0	0	112.1	S207 P231 S232 C235	S207-S237 VanDerWaalsContact O-CB 3.23Å; S207-S237 WeakPolarHBondContact O-CB 3.16Å; P231-S237 VanDerWaalsContact CA-O 3.27Å; P231-S237 WeakPolarHBondContact CA-O 3.48Å; S232-S237 WeakPolarHBondContact CB-OG 3.45Å; S232-S237 PolarHBondContact N-O 2.99Å; C235-S237 PolarHBondContact O-N 3.08Å
238	V	98.7	Very high	98.7	Very high	24 Å²	24	26.1 Å²	26.1	15%	0.145	13%	0.13	C	C	.	.			trans	-131.9	115.3	173.3	-177.4	0	0	0	0	107.3	N230 P231 V268 A383	N230-V238 WeakPolarHBondContact OD1-CA 3.43Å; P231-V238 HydrophobicContact CB-CG2 3.99Å; P231-V238 HydrophobicContact CG-CG2 4Å; V238-V268 HydrophobicContact CG1-CG1 4.1Å; V238-V268 HydrophobicContact CG1-CG2 3.85Å; V238-V268 HydrophobicContact CG2-CB 4.5Å; V238-V268 HydrophobicContact CG2-CG1 4.17Å; V238-V268 HydrophobicContact CG2-CG2 3.87Å; V238-A383 HydrophobicContact CB-CB 3.88Å; V238-A383 VanDerWaalsContact CG2-C 3.46Å; V238-A383 HydrophobicContact CG2-CB 3.73Å; V238-A383 WeakPolarHBondContact CG2-O 3.24Å
239	Y	98.6	Very high	98.7	Very high	6 Å²	6	29.5 Å²	29.5	2%	0.024	15%	0.154	C	C	.	.			trans	-70.4	141.1	-176.6	-62.6	-28.8	0	0	0	112.5	L202 W208 V210 I228 N230 H243 L244	L202-Y239 WeakPolarHBondContact CD2-OH 3.18Å; W208-Y239 WeakPolarHBondContact O-CE1 3.4Å; V210-Y239 HydrophobicContact CG2-CE2 4.08Å; I228-Y239 HydrophobicContact CG2-CD2 4.43Å; I228-Y239 HydrophobicContact CG2-CE2 3.98Å; N230-Y239 HydrophobicContact CB-CD2 3.84Å; N230-Y239 HydrophobicContact CB-CE2 4.16Å; N230-Y239 PolarHBondContact OD1-N 3.27Å; Y239-H243 AromaticContact CD1-CD2 3.91Å; Y239-H243 AromaticContact CG-CD2 3.74Å; Y239-L244 HydrophobicContact CD2-CD2 3.88Å; Y239-L244 HydrophobicContact CG-CD2 4.38Å
240	S	98.2	Very high	98.7	Very high	52 Å²	52	30 Å²	30	36%	0.364	16%	0.157	S	C	.	.			trans	-66.2	155.5	172.1	74.3	0	0	0	0	110.7	E242 H243 L244	S240-E242 PolarHBondContact O-N 3.01Å; S240-H243 PolarHBondContact O-N 2.82Å; S240-H243 VanDerWaalsContact OG-CB 3.27Å; S240-H243 WeakPolarHBondContact OG-CB 3.27Å; S240-H243 PolarHBondContact OG-N 3.37Å; S240-L244 WeakPolarHBondContact O-CG 3.45Å; S240-L244 PolarHBondContact O-N 2.81Å
241	K	98.2	Very high	98.7	Very high	109 Å²	109	29.8 Å²	29.8	47%	0.474	16%	0.156	S	C	.	.	H	α-helix	trans	-55.7	-38.2	174.4	179.5	173.3	-179.3	167.4	0	112.1	K245 Q275 L280	K241-K245 WeakPolarHBondContact O-CG 3.41Å; K241-K245 PolarHBondContact O-N 3.26Å; K241-Q275 HydrophobicContact CB-CG 4.39Å; K241-L280 HydrophobicContact CD-CD2 4.17Å; K241-L280 HydrophobicContact CG-CD1 4Å; K241-L280 HydrophobicContact CG-CD2 3.94Å
242	E	98.4	Very high	98.7	Very high	141 Å²	141	31.8 Å²	31.8	66%	0.659	17%	0.17	S	C	*	.	H	α-helix	trans	-67.7	-46.4	178.3	-175.2	173.5	178.2	0	0	111.1	S240 L244 K245 N246	S240-E242 PolarHBondContact O-N 3.01Å; E242-L244 PolarHBondContact O-N 2.94Å; E242-K245 WeakPolarHBondContact O-CB 3.44Å; E242-K245 PolarHBondContact O-N 3.01Å; E242-K245 VanDerWaalsContact O-N 3.14Å; E242-N246 VanDerWaalsContact O-CG 3.32Å; E242-N246 PolarHBondContact O-N 3.48Å; E242-N246 PolarHBondContact O-ND2 3.44Å
243	H	98.7	Very high	98.6	Very high	4 Å²	4	38.5 Å²	38.5	2%	0.019	20%	0.199	C	C	.	.	H	α-helix	trans	-61.3	-43.9	177.6	-170.6	79.4	0	0	0	112.2	E209 V210 Y239 S240 K245 N246 V247	E209-H243 VanDerWaalsContact CB-CE1 3.46Å; E209-H243 WeakPolarHBondContact CB-CE1 3.39Å; E209-H243 HydrophobicContact CG-CB 4.42Å; E209-H243 IonicContact OE1-CG 3.98Å; E209-H243 IonicContact OE1-ND1 2.62Å; E209-H243 IonicContact OE2-CE1 3.65Å; E209-H243 IonicContact OE2-CG 3.72Å; E209-H243 IonicContact OE2-ND1 2.77Å; E209-H243 PolarHBondContact OE2-ND1 3.07Å; V210-H243 WeakPolarHBondContact CB-NE2 3.5Å; V210-H243 PolarHBondContact N-CE1 2.76Å; V210-H243 PolarHBondContact N-NE2 2.66Å; V210-H243 PolarHBondContact O-CE1 2.99Å; Y239-H243 AromaticContact CD1-CD2 3.91Å; Y239-H243 AromaticContact CG-CD2 3.74Å; S240-H243 PolarHBondContact O-N 2.82Å; S240-H243 VanDerWaalsContact OG-CB 3.27Å; S240-H243 WeakPolarHBondContact OG-CB 3.27Å; S240-H243 PolarHBondContact OG-N 3.37Å; H243-K245 VanDerWaalsContact C-N 3.3Å; H243-K245 PolarHBondContact O-N 3.11Å; H243-N246 WeakPolarHBondContact O-CB 3.47Å; H243-N246 PolarHBondContact O-N 3.04Å; H243-N246 VanDerWaalsContact O-N 3.07Å; H243-V247 PolarHBondContact O-N 2.81Å
244	L	98.8	Very high	98.6	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-58.4	-40.1	174.6	-70.3	170.9	0	0	0	112.4	Y239 S240 E242 N246 V247 L248 Q275 M277 L280	Y239-L244 HydrophobicContact CD2-CD2 3.88Å; Y239-L244 HydrophobicContact CG-CD2 4.38Å; S240-L244 WeakPolarHBondContact O-CG 3.45Å; S240-L244 PolarHBondContact O-N 2.81Å; E242-L244 PolarHBondContact O-N 2.94Å; L244-N246 VanDerWaalsContact C-N 3.34Å; L244-V247 PolarHBondContact O-N 2.89Å; L244-L248 WeakPolarHBondContact O-CG 3.48Å; L244-L248 PolarHBondContact O-N 3.06Å; L244-Q275 HydrophobicContact CD1-CB 3.92Å; L244-M277 HydrophobicContact CD2-CE 3.44Å; L244-M277 VanDerWaalsContact CD2-CE 3.44Å; L244-L280 HydrophobicContact CB-CD1 3.67Å; L244-L280 HydrophobicContact CD1-CD1 3.78Å; L244-L280 HydrophobicContact CG-CD1 4.39Å
245	K	98.8	Very high	98.6	Very high	109 Å²	109	46.3 Å²	46.3	47%	0.474	25%	0.249	S	C	.	.	H	α-helix	trans	-65.3	-36.8	174.5	-76.7	179.9	170.9	-165.6	0	112.5	K241 E242 H243 L248 S249	K241-K245 WeakPolarHBondContact O-CG 3.41Å; K241-K245 PolarHBondContact O-N 3.26Å; E242-K245 WeakPolarHBondContact O-CB 3.44Å; E242-K245 PolarHBondContact O-N 3.01Å; E242-K245 VanDerWaalsContact O-N 3.14Å; H243-K245 VanDerWaalsContact C-N 3.3Å; H243-K245 PolarHBondContact O-N 3.11Å; K245-L248 PolarHBondContact O-N 3.32Å; K245-S249 PolarHBondContact O-N 3.4Å
246	N	98.8	Very high	98.6	Very high	67 Å²	67	46.7 Å²	46.7	36%	0.358	25%	0.25	S	S	.	.	H	α-helix	trans	-66.9	-41.2	176.8	-64.3	-22.7	0	0	0	111.3	L212 E242 H243 L244 S249 V250	L212-N246 HydrophobicContact CD1-CB 3.51Å; E242-N246 VanDerWaalsContact O-CG 3.32Å; E242-N246 PolarHBondContact O-N 3.48Å; E242-N246 PolarHBondContact O-ND2 3.44Å; H243-N246 WeakPolarHBondContact O-CB 3.47Å; H243-N246 PolarHBondContact O-N 3.04Å; H243-N246 VanDerWaalsContact O-N 3.07Å; L244-N246 VanDerWaalsContact C-N 3.34Å; N246-S249 WeakPolarHBondContact O-CB 3.5Å; N246-S249 PolarHBondContact O-N 3.24Å; N246-V250 PolarHBondContact O-N 2.87Å; N246-V250 VanDerWaalsContact O-N 3.12Å
247	V	98.8	Very high	98.6	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-60.4	-46.4	172	175.2	0	0	0	0	111.2	V210 L212 I228 H243 L244 S249 V250 A251 M277	V210-V247 HydrophobicContact CB-CG2 4.29Å; V210-V247 HydrophobicContact CG2-CG2 4.07Å; L212-V247 HydrophobicContact CD2-CB 4.46Å; L212-V247 HydrophobicContact CD2-CG2 3.7Å; I228-V247 HydrophobicContact CD1-CG1 3.65Å; I228-V247 HydrophobicContact CG1-CG1 4.01Å; H243-V247 PolarHBondContact O-N 2.81Å; L244-V247 PolarHBondContact O-N 2.89Å; V247-S249 VanDerWaalsContact C-N 3.26Å; V247-S249 PolarHBondContact O-N 3.44Å; V247-V250 PolarHBondContact O-N 3.29Å; V247-A251 PolarHBondContact O-N 3.45Å; V247-M277 HydrophobicContact CB-CE 4.23Å; V247-M277 HydrophobicContact CG1-CE 3.9Å
248	L	98.9	Very high	98.6	Very high	11 Å²	11	47.5 Å²	47.5	6%	0.058	26%	0.255	C	S	.	.	H	α-helix	trans	-59.4	-37.5	175.2	-74.9	165.2	0	0	0	112.1	L244 K245 A251 S252 I258 M277 L280 V284 I286	L244-L248 WeakPolarHBondContact O-CG 3.48Å; L244-L248 PolarHBondContact O-N 3.06Å; K245-L248 PolarHBondContact O-N 3.32Å; L248-A251 PolarHBondContact O-N 3.06Å; L248-S252 WeakPolarHBondContact O-CB 3.46Å; L248-S252 PolarHBondContact O-N 3.24Å; L248-I258 HydrophobicContact CD2-CD1 3.86Å; L248-M277 HydrophobicContact CD1-CG 4.24Å; L248-M277 HydrophobicContact CD2-CG 3.95Å; L248-M277 HydrophobicContact CD2-SD 4.32Å; L248-M277 HydrophobicContact CG-CG 4.13Å; L248-L280 HydrophobicContact CD1-CB 3.73Å; L248-V284 HydrophobicContact CD2-CB 4.02Å; L248-V284 HydrophobicContact CD2-CG1 4.35Å; L248-V284 HydrophobicContact CD2-CG2 4.26Å; L248-I286 HydrophobicContact CD2-CD1 4.07Å
249	S	98.8	Very high	98.7	Very high	75 Å²	75	46.3 Å²	46.3	52%	0.524	25%	0.248	S	C	.	.	H	α-helix	trans	-64.5	-39.2	176.9	-172.1	0	0	0	0	112.3	K245 N246 V247 K253	K245-S249 PolarHBondContact O-N 3.4Å; N246-S249 WeakPolarHBondContact O-CB 3.5Å; N246-S249 PolarHBondContact O-N 3.24Å; V247-S249 VanDerWaalsContact C-N 3.26Å; V247-S249 PolarHBondContact O-N 3.44Å; S249-K253 VanDerWaalsContact O-CB 3.26Å; S249-K253 WeakPolarHBondContact O-CB 3.43Å; S249-K253 PolarHBondContact O-N 2.9Å
250	V	98.8	Very high	98.7	Very high	13 Å²	13	46.1 Å²	46.1	8%	0.079	25%	0.248	C	C	.	.	H	α-helix	trans	-63.4	-46.2	173.7	174.9	0	0	0	0	110.3	L212 M215 E216 I219 N246 V247 K253 N254	L212-V250 HydrophobicContact CB-CG2 4.48Å; L212-V250 HydrophobicContact CD2-CG2 4.32Å; M215-V250 HydrophobicContact SD-CG1 4.46Å; E216-V250 HydrophobicContact CB-CG1 4.03Å; E216-V250 HydrophobicContact CG-CG1 4.39Å; I219-V250 HydrophobicContact CD1-CG1 4.09Å; N246-V250 PolarHBondContact O-N 2.87Å; N246-V250 VanDerWaalsContact O-N 3.12Å; V247-V250 PolarHBondContact O-N 3.29Å; V250-K253 PolarHBondContact O-N 3.24Å; V250-N254 PolarHBondContact O-N 3.27Å; V250-N254 VanDerWaalsContact O-N 3.15Å; V250-N254 PolarHBondContact O-ND2 3.33Å
251	A	98.8	Very high	98.7	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-63.4	-43.7	179.9	0	0	0	0	0	112.6	L226 V247 L248 N254 C255 I256 I258 V284	L226-A251 HydrophobicContact CD1-CB 3.9Å; V247-A251 PolarHBondContact O-N 3.45Å; L248-A251 PolarHBondContact O-N 3.06Å; A251-N254 CarbonylContact O-C 3.59Å; A251-N254 PolarHBondContact O-N 3.11Å; A251-C255 WeakPolarHBondContact O-CA 3.25Å; A251-C255 PolarHBondContact O-N 2.65Å; A251-I256 PolarHBondContact O-N 3.12Å; A251-I258 HydrophobicContact CB-CD1 3.74Å; A251-I258 HydrophobicContact CB-CG1 3.92Å; A251-V284 HydrophobicContact CB-CG1 3.93Å; A251-V284 HydrophobicContact CB-CG2 4.15Å
252	S	98.7	Very high	98.7	Very high	42 Å²	42	39.5 Å²	39.5	29%	0.294	21%	0.213	S	C	.	.	H	α-helix	trans	-60.9	-51.4	175.9	169.6	0	0	0	0	111.3	L248 N254 C255 D283	L248-S252 WeakPolarHBondContact O-CB 3.46Å; L248-S252 PolarHBondContact O-N 3.24Å; S252-N254 PolarHBondContact O-N 3.39Å; S252-N254 VanDerWaalsContact O-N 3.17Å; S252-C255 PolarHBondContact O-N 2.95Å; S252-D283 WeakPolarHBondContact CB-OD2 3.5Å; S252-D283 PolarHBondContact OG-OD2 3.17Å
253	K	98.4	Very high	98.8	Very high	141 Å²	141	33.5 Å²	33.5	61%	0.613	19%	0.185	S	C	*	.	H	α-helix	trans	-55.8	-35.6	179.3	177.7	-179.9	166.1	-158.8	0	112.7	E216 S249 V250	E216-K253 VanDerWaalsContact CD-NZ 3.27Å; E216-K253 VanDerWaalsContact OE1-CD 3.27Å; E216-K253 WeakPolarHBondContact OE1-CD 3.38Å; E216-K253 WeakPolarHBondContact OE1-CE 3.47Å; E216-K253 IonicContact OE1-NZ 2.68Å; E216-K253 PolarHBondContact OE1-NZ 3.32Å; E216-K253 IonicContact OE2-NZ 3.15Å; E216-K253 PolarHBondContact OE2-NZ 2.86Å; E216-K253 VanDerWaalsContact OE2-NZ 3.15Å; S249-K253 VanDerWaalsContact O-CB 3.26Å; S249-K253 WeakPolarHBondContact O-CB 3.43Å; S249-K253 PolarHBondContact O-N 2.9Å; V250-K253 PolarHBondContact O-N 3.24Å
254	N	98.5	Very high	98.8	Very high	53 Å²	53	33.5 Å²	33.5	28%	0.283	19%	0.185	S	C	.	.	H	α-helix	trans	-99.6	1.3	-177.5	-65.8	-77.5	0	0	0	113.5	E216 I219 V250 A251 S252 I256	E216-N254 PolarHBondContact OE1-ND2 3.42Å; E216-N254 VanDerWaalsContact OE1-ND2 3.09Å; I219-N254 HydrophobicContact CD1-CB 3.96Å; I219-N254 HydrophobicContact CG2-CB 4.21Å; V250-N254 PolarHBondContact O-N 3.27Å; V250-N254 VanDerWaalsContact O-N 3.15Å; V250-N254 PolarHBondContact O-ND2 3.33Å; A251-N254 CarbonylContact O-C 3.59Å; A251-N254 PolarHBondContact O-N 3.11Å; S252-N254 PolarHBondContact O-N 3.39Å; S252-N254 VanDerWaalsContact O-N 3.17Å; N254-I256 VanDerWaalsContact C-N 3.34Å; N254-I256 HydrophobicContact CB-CD1 4.02Å; N254-I256 HydrophobicContact CB-CG1 3.98Å; N254-I256 VanDerWaalsContact O-CG1 3.28Å; N254-I256 WeakPolarHBondContact O-CG1 3.4Å; N254-I256 PolarHBondContact O-N 3.21Å
255	C	98.4	Very high	98.7	Very high	119 Å²	119	34 Å²	34	80%	0.804	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.6	41.3	-179.5	-59.4	0	0	0	0	114.2	A251 S252	A251-C255 WeakPolarHBondContact O-CA 3.25Å; A251-C255 PolarHBondContact O-N 2.65Å; S252-C255 PolarHBondContact O-N 2.95Å
256	I	98.4	Very high	98.7	Very high	9 Å²	9	32 Å²	32	5%	0.046	19%	0.185	C	C	.	.			trans	-111.3	129.8	-177	-49.9	-173	0	0	0	110.1	I219 T223 L226 A251 N254	I219-I256 HydrophobicContact CB-CD1 4.3Å; I219-I256 HydrophobicContact CD1-CD1 3.89Å; I219-I256 HydrophobicContact CG1-CD1 3.92Å; I219-I256 HydrophobicContact CG2-CD1 3.45Å; I219-I256 VanDerWaalsContact CG2-CD1 3.45Å; T223-I256 HydrophobicContact CG2-CD1 3.63Å; T223-I256 HydrophobicContact CG2-CG2 4.31Å; L226-I256 HydrophobicContact CD2-CG2 4.26Å; L226-I256 HydrophobicContact CG-CB 4.28Å; L226-I256 HydrophobicContact CG-CG2 3.84Å; A251-I256 PolarHBondContact O-N 3.12Å; N254-I256 VanDerWaalsContact C-N 3.34Å; N254-I256 HydrophobicContact CB-CD1 4.02Å; N254-I256 HydrophobicContact CB-CG1 3.98Å; N254-I256 VanDerWaalsContact O-CG1 3.28Å; N254-I256 WeakPolarHBondContact O-CG1 3.4Å; N254-I256 PolarHBondContact O-N 3.21Å
257	P	98.8	Very high	98.7	Very high	22 Å²	22	29 Å²	29	14%	0.143	17%	0.168	C	C	.	.			trans	-69.9	155.8	175.1	31.3	-36.5	0	0	0	111.6	L169 T224 L226 P285 F315	L169-P257 HydrophobicContact CD2-CG 4.38Å; T224-P257 WeakPolarHBondContact O-CD 3.4Å; T224-P257 VanDerWaalsContact O-CG 3.24Å; T224-P257 WeakPolarHBondContact O-CG 3.08Å; L226-P257 PolarHBondContact N-O 3.12Å; L226-P257 VanDerWaalsContact N-O 3.1Å; P257-P285 WeakPolarHBondContact CA-O 3.46Å; P257-P285 HydrophobicContact CB-CG 4.08Å; P257-F315 HydrophobicContact CB-CE1 3.62Å; P257-F315 HydrophobicContact CB-CZ 3.81Å; P257-F315 HydrophobicContact CG-CE1 4.35Å
258	I	98.9	Very high	98.6	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	133.9	176.9	-61.4	173.9	0	0	0	110.5	L226 I228 L248 A251 A260 M277 V284 P285 I286 L287	L226-I258 HydrophobicContact CB-CG1 4.33Å; L226-I258 CarbonylContact O-C 3.59Å; L226-I258 WeakPolarHBondContact O-CA 3.33Å; I228-I258 HydrophobicContact CB-CG2 4.29Å; I228-I258 HydrophobicContact CG1-CG2 3.81Å; L248-I258 HydrophobicContact CD2-CD1 3.86Å; A251-I258 HydrophobicContact CB-CD1 3.74Å; A251-I258 HydrophobicContact CB-CG1 3.92Å; I258-A260 HydrophobicContact CG2-CB 4.32Å; I258-M277 HydrophobicContact CD1-SD 3.6Å; I258-M277 VanDerWaalsContact CD1-SD 3.6Å; I258-M277 HydrophobicContact CG2-SD 3.76Å; I258-V284 HydrophobicContact CD1-CG1 3.99Å; I258-V284 HydrophobicContact CG1-CG1 4Å; I258-P285 PolarHBondContact N-O 2.97Å; I258-P285 VanDerWaalsContact N-O 3.16Å; I258-I286 HydrophobicContact CB-CG1 4.11Å; I258-I286 VanDerWaalsContact O-CA 3.3Å; I258-I286 WeakPolarHBondContact O-CA 3.17Å; I258-L287 PolarHBondContact O-N 2.87Å
259	L	98.9	Very high	98.6	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	106.5	160.2	170.3	53.8	0	0	0	108	I162 A165 I166 C225 L226 I227 I228 L287 C289	I162-L259 HydrophobicContact CG2-CD2 4.34Å; A165-L259 HydrophobicContact CB-CD1 3.64Å; A165-L259 HydrophobicContact CB-CD2 3.95Å; A165-L259 HydrophobicContact CB-CG 4.41Å; I166-L259 HydrophobicContact CD1-CD2 4.48Å; I166-L259 HydrophobicContact CG1-CD2 3.82Å; C225-L259 VanDerWaalsContact SG-CB 3.52Å; L226-L259 PolarHBondContact O-N 3.29Å; I227-L259 WeakPolarHBondContact CA-O 3.35Å; I227-L259 HydrophobicContact CD1-CD2 3.93Å; I227-L259 HydrophobicContact CG1-CB 4.22Å; I227-L259 HydrophobicContact CG1-CD2 4.11Å; I227-L259 HydrophobicContact CG1-CG 4.39Å; I228-L259 PolarHBondContact N-O 2.87Å; L259-L287 WeakPolarHBondContact CA-O 3.35Å; L259-L287 HydrophobicContact CD1-CB 4.32Å; L259-L287 VanDerWaalsContact CD1-O 3.3Å; L259-L287 WeakPolarHBondContact CD1-O 3.44Å; L259-C289 WeakPolarHBondContact CD1-SG 3.33Å
260	A	98.9	Very high	98.3	Very high	2 Å²	2	30.4 Å²	30.4	2%	0.017	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	107.6	-180	0	0	0	0	0	109.8	I228 I258 E262 I286 L287 A288 C289	I228-A260 CarbonylContact O-C 3.38Å; I228-A260 WeakPolarHBondContact O-CA 3.44Å; I258-A260 HydrophobicContact CG2-CB 4.32Å; A260-E262 HydrophobicContact CB-CG 4.07Å; A260-E262 PolarHBondContact O-N 3.16Å; A260-I286 HydrophobicContact CB-CG2 3.84Å; A260-L287 PolarHBondContact N-O 2.9Å; A260-A288 HydrophobicContact CB-CB 4.38Å; A260-A288 CarbonylContact O-C 3.59Å; A260-A288 VanDerWaalsContact O-CA 3.31Å; A260-A288 WeakPolarHBondContact O-CA 3.3Å; A260-C289 PolarHBondContact O-N 3.07Å
261	D	98.9	Very high	97.8	Very high	4 Å²	4	34 Å²	34	2%	0.021	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	97.7	170.1	-172.4	-8.6	0	0	0	109.5	I162 Y186 I228 N229 N230 I263	I162-D261 WeakPolarHBondContact CD1-OD2 3.41Å; Y186-D261 HydrophobicContact CE1-CB 4.34Å; Y186-D261 WeakPolarHBondContact OH-CB 3.43Å; Y186-D261 PolarHBondContact OH-OD2 2.91Å; I228-D261 PolarHBondContact O-N 3.46Å; N229-D261 WeakPolarHBondContact CA-O 3.3Å; N229-D261 HydrophobicContact CB-CB 4.25Å; N229-D261 PolarHBondContact ND2-O 2.95Å; N230-D261 PolarHBondContact N-O 2.7Å; D261-I263 WeakPolarHBondContact OD1-CB 3.39Å; D261-I263 VanDerWaalsContact OD1-CG2 3.22Å; D261-I263 WeakPolarHBondContact OD1-CG2 3.48Å; D261-I263 PolarHBondContact OD1-N 3.19Å
262	E	98.9	Very high	97.4	Very high	18 Å²	18	36.9 Å²	36.9	8%	0.084	23%	0.234	C	C	.	.			trans	-109.6	31.3	-178.1	-57.7	-170.7	146.2	0	0	110.7	A260 Y264 G265 Y274 S276 M277 C289	A260-E262 HydrophobicContact CB-CG 4.07Å; A260-E262 PolarHBondContact O-N 3.16Å; E262-Y264 PolarHBondContact O-N 3.32Å; E262-Y264 VanDerWaalsContact O-N 3.11Å; E262-G265 WeakPolarHBondContact O-CA 3.45Å; E262-G265 PolarHBondContact O-N 3.09Å; E262-Y274 WeakPolarHBondContact CB-OH 3.44Å; E262-Y274 PolarHBondContact OE2-OH 3.01Å; E262-S276 VanDerWaalsContact OE1-CA 3.32Å; E262-S276 WeakPolarHBondContact OE1-CA 3.41Å; E262-S276 PolarHBondContact OE1-OG 3.2Å; E262-S276 PolarHBondContact OE2-OG 2.67Å; E262-M277 PolarHBondContact OE1-N 3.17Å; E262-C289 CarbonylContact C-O 3.52Å; E262-C289 PolarHBondContact N-O 3.15Å
263	I	98.9	Very high	97.1	Very high	14 Å²	14	43 Å²	43	7%	0.072	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-22.4	178.6	-169.9	53.5	0	0	0	113.9	C158 D261 C289 G291 A293 K294	C158-I263 HydrophobicContact CB-CB 4.36Å; C158-I263 HydrophobicContact CB-CD1 3.84Å; C158-I263 HydrophobicContact CB-CG1 4.04Å; D261-I263 WeakPolarHBondContact OD1-CB 3.39Å; D261-I263 VanDerWaalsContact OD1-CG2 3.22Å; D261-I263 WeakPolarHBondContact OD1-CG2 3.48Å; D261-I263 PolarHBondContact OD1-N 3.19Å; I263-C289 PolarHBondContact N-O 2.96Å; I263-G291 VanDerWaalsContact CD1-N 3.25Å; I263-A293 HydrophobicContact CD1-CB 4.47Å; I263-K294 HydrophobicContact CG1-CB 4.5Å; I263-K294 HydrophobicContact CG1-CG 3.81Å
264	Y	98.8	Very high	97.1	Very high	5 Å²	5	38 Å²	38	2%	0.02	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	13.8	173	-62.5	-77.8	0	0	0	112.6	P231 N233 E262 D266 M267 K294 A385 M386 Y387	P231-Y264 WeakPolarHBondContact CD-O 3.37Å; P231-Y264 WeakPolarHBondContact CG-O 3.23Å; N233-Y264 HydrophobicContact CB-CE2 3.86Å; E262-Y264 PolarHBondContact O-N 3.32Å; E262-Y264 VanDerWaalsContact O-N 3.11Å; Y264-D266 PolarHBondContact O-N 2.8Å; Y264-M267 HydrophobicContact CD1-SD 4.05Å; Y264-M267 WeakPolarHBondContact O-CA 3.47Å; Y264-M267 VanDerWaalsContact O-CB 3.25Å; Y264-M267 WeakPolarHBondContact O-CB 3.45Å; Y264-M267 PolarHBondContact O-N 3.19Å; Y264-K294 HydrophobicContact CD1-CB 3.99Å; Y264-K294 HydrophobicContact CD1-CG 4.13Å; Y264-K294 HydrophobicContact CE1-CB 3.88Å; Y264-K294 HydrophobicContact CE1-CD 3.86Å; Y264-K294 HydrophobicContact CE1-CG 3.62Å; Y264-K294 WeakPolarHBondContact OH-CE 3.38Å; Y264-A385 HydrophobicContact CD1-CB 3.71Å; Y264-A385 HydrophobicContact CD2-CB 4.19Å; Y264-A385 HydrophobicContact CE1-CB 4.18Å; Y264-A385 HydrophobicContact CG-CB 3.73Å; Y264-M386 HydrophobicContact CE1-CG 4.1Å; Y264-M386 HydrophobicContact CE1-SD 4.07Å; Y264-Y387 HydrophobicContact CE1-CE2 4.13Å; Y264-Y387 HydrophobicContact CE2-CE2 4.34Å; Y264-Y387 AromaticContact CZ-CE2 3.66Å; Y264-Y387 WeakPolarHBondContact OH-CE2 3.14Å; Y264-Y387 PolarHBondContact OH-OH 2.81Å
265	G	98.3	Very high	96.9	Very high	9 Å²	9	38 Å²	38	9%	0.093	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.9	137.4	176.6	0	0	0	0	0	111.4	E262 M267	E262-G265 WeakPolarHBondContact O-CA 3.45Å; E262-G265 PolarHBondContact O-N 3.09Å; G265-M267 PolarHBondContact O-N 2.93Å
266	D	97.5	Very high	96.9	Very high	69 Å²	69	33.6 Å²	33.6	37%	0.369	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	5.1	-171.7	-59.2	-51.3	0	0	0	116.4	Y264 V268 Y274 R295	Y264-D266 PolarHBondContact O-N 2.8Å; D266-V268 VanDerWaalsContact C-N 3.27Å; D266-V268 PolarHBondContact O-N 3.08Å; D266-Y274 WeakPolarHBondContact OD1-CD1 3.27Å; D266-R295 IonicContact OD2-CZ 3.95Å; D266-R295 VanDerWaalsContact OD2-CZ 3.29Å; D266-R295 IonicContact OD2-NH1 3.12Å; D266-R295 PolarHBondContact OD2-NH1 3.37Å; D266-R295 IonicContact OD2-NH2 3.16Å; D266-R295 PolarHBondContact OD2-NH2 3.2Å
267	M	98.6	Very high	96.9	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.01	20%	0.2	C	C	.	.			trans	-89.3	61.5	169.7	-55.9	-165.3	70.5	0	0	111.3	Y264 G265 K294 R295 T356 I357 L360 G384 A385 M386	Y264-M267 HydrophobicContact CD1-SD 4.05Å; Y264-M267 WeakPolarHBondContact O-CA 3.47Å; Y264-M267 VanDerWaalsContact O-CB 3.25Å; Y264-M267 WeakPolarHBondContact O-CB 3.45Å; Y264-M267 PolarHBondContact O-N 3.19Å; G265-M267 PolarHBondContact O-N 2.93Å; M267-K294 VanDerWaalsContact SD-C 3.6Å; M267-K294 HydrophobicContact SD-CB 3.84Å; M267-R295 HydrophobicContact CG-CB 4.02Å; M267-R295 HydrophobicContact CG-CG 4.32Å; M267-R295 VanDerWaalsContact SD-CA 3.56Å; M267-R295 HydrophobicContact SD-CB 4.03Å; M267-R295 PolarHBondContact SD-N 2.92Å; M267-T356 HydrophobicContact CE-CG2 4.34Å; M267-I357 HydrophobicContact CB-CD1 3.98Å; M267-I357 HydrophobicContact CE-CD1 4.38Å; M267-I357 HydrophobicContact CG-CD1 4.49Å; M267-L360 HydrophobicContact CE-CD1 3.78Å; M267-G384 CarbonylContact O-C 3.54Å; M267-G384 WeakPolarHBondContact O-CA 3.4Å; M267-A385 PolarHBondContact O-N 3.31Å; M267-M386 HydrophobicContact CE-CE 3.38Å; M267-M386 HydrophobicContact CE-CG 4.44Å; M267-M386 HydrophobicContact SD-CE 3.86Å
268	V	98.3	Very high	96.9	Very high	18 Å²	18	32.2 Å²	32.2	11%	0.109	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-119.4	139.5	-173.6	176.3	0	0	0	0	110.3	P231 V238 D266 C272 I357	P231-V268 HydrophobicContact CG-CG2 3.93Å; V238-V268 HydrophobicContact CG1-CG1 4.1Å; V238-V268 HydrophobicContact CG1-CG2 3.85Å; V238-V268 HydrophobicContact CG2-CB 4.5Å; V238-V268 HydrophobicContact CG2-CG1 4.17Å; V238-V268 HydrophobicContact CG2-CG2 3.87Å; D266-V268 VanDerWaalsContact C-N 3.27Å; D266-V268 PolarHBondContact O-N 3.08Å; V268-C272 HydrophobicContact CG1-CB 3.35Å; V268-I357 VanDerWaalsContact O-CG2 3.32Å; V268-I357 WeakPolarHBondContact O-CG2 3.34Å
269	F	97.1	Very high	96.9	Very high	12 Å²	12	33.5 Å²	33.5	5%	0.053	20%	0.202	C	C	.	.			trans	-76.9	148.7	-177.9	-59	-14.7	0	0	0	111.8	G271 C272 I357 L360 K361 S364 P382 A383	F269-G271 PolarHBondContact O-N 2.99Å; F269-C272 PolarHBondContact O-N 2.96Å; F269-C272 VanDerWaalsContact O-N 3.11Å; F269-I357 HydrophobicContact CD1-CG2 4.13Å; F269-L360 HydrophobicContact CE1-CB 3.71Å; F269-L360 HydrophobicContact CZ-CB 4.05Å; F269-K361 HydrophobicContact CB-CB 4.38Å; F269-K361 HydrophobicContact CB-CD 4.36Å; F269-K361 HydrophobicContact CB-CG 4.45Å; F269-K361 HydrophobicContact CD1-CB 4.11Å; F269-K361 HydrophobicContact CD2-CB 4.22Å; F269-K361 HydrophobicContact CD2-CG 4.42Å; F269-K361 HydrophobicContact CE1-CB 4.49Å; F269-K361 HydrophobicContact CG-CB 3.98Å; F269-K361 HydrophobicContact CG-CG 4.39Å; F269-S364 WeakPolarHBondContact CE2-OG 3.43Å; F269-S364 WeakPolarHBondContact CZ-OG 3.48Å; F269-P382 HydrophobicContact CE2-CB 4.37Å; F269-P382 HydrophobicContact CE2-CG 4.07Å; F269-A383 WeakPolarHBondContact CB-O 3.29Å; F269-A383 PolarHBondContact N-O 2.81Å
270	P	92.8	Very high	96.9	Very high	87 Å²	87	34.9 Å²	34.9	57%	0.565	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-44.3	132.8	173.2	-31.5	30.3	0	0	0	113.8	K361	P270-K361 HydrophobicContact CB-CD 4.47Å; P270-K361 HydrophobicContact CG-CD 4.07Å
271	G	89.6	Confident	96.8	Very high	88 Å²	88	35.1 Å²	35.1	91%	0.907	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	100.4	-23.5	-176.2	0	0	0	0	0	113.7	F269	F269-G271 PolarHBondContact O-N 2.99Å
272	C	90.4	Very high	96.8	Very high	61 Å²	61	39.6 Å²	39.6	41%	0.412	24%	0.242	S	C	.	.			trans	-102.9	159	170.6	-67.2	0	0	0	0	110.8	V268 F269 A383	V268-C272 HydrophobicContact CG1-CB 3.35Å; F269-C272 PolarHBondContact O-N 2.96Å; F269-C272 VanDerWaalsContact O-N 3.11Å; C272-A383 HydrophobicContact CB-CB 4.38Å
273	K	92.6	Very high	96.7	Very high	171 Å²	171	41.4 Å²	41.4	74%	0.743	25%	0.253	S	S	*	.			trans	-125	128.2	175.1	-69	-173.4	179.8	-177.5	0	109.7
274	Y	96.8	Very high	96.7	Very high	36 Å²	36	40.9 Å²	40.9	14%	0.141	25%	0.25	C	S	.	.			trans	-65.8	139.6	165.6	176.4	-114.4	0	0	0	110.1	E262 D266	E262-Y274 WeakPolarHBondContact CB-OH 3.44Å; E262-Y274 PolarHBondContact OE2-OH 3.01Å; D266-Y274 WeakPolarHBondContact OD1-CD1 3.27Å
275	Q	96.1	Very high	96.7	Very high	52 Å²	52	41 Å²	41	24%	0.243	25%	0.252	C	S	.	.			trans	-134.3	123.5	167.2	-61.4	-71.8	-75.6	0	0	106	K241 L244 M277 L280	K241-Q275 HydrophobicContact CB-CG 4.39Å; L244-Q275 HydrophobicContact CD1-CB 3.92Å; Q275-M277 PolarHBondContact O-N 2.82Å; Q275-L280 HydrophobicContact CB-CD1 4.06Å
276	S	97.6	Very high	96.8	Very high	27 Å²	27	40.6 Å²	40.6	19%	0.189	25%	0.247	C	C	.	.			trans	-62.6	133.9	166	178.4	0	0	0	0	108.3	E262 A278 S279	E262-S276 VanDerWaalsContact OE1-CA 3.32Å; E262-S276 WeakPolarHBondContact OE1-CA 3.41Å; E262-S276 PolarHBondContact OE1-OG 3.2Å; E262-S276 PolarHBondContact OE2-OG 2.67Å; S276-A278 PolarHBondContact O-N 3.18Å; S276-A278 PolarHBondContact OG-N 3.31Å; S276-S279 PolarHBondContact O-N 3.22Å; S276-S279 PolarHBondContact O-OG 2.8Å
277	M	98.1	Very high	96.8	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.01	23%	0.23	C	C	.	.	H	α-helix	trans	-59.4	-32.9	177.8	-178.6	170.7	-86.6	0	0	111.1	I228 L244 V247 L248 I258 E262 Q275 S279 L280 S281 I286	I228-M277 HydrophobicContact CB-CE 4.18Å; I228-M277 HydrophobicContact CB-SD 4.43Å; I228-M277 HydrophobicContact CG1-CE 4.01Å; I228-M277 HydrophobicContact CG1-SD 4.23Å; I228-M277 HydrophobicContact CG2-CE 3.77Å; L244-M277 HydrophobicContact CD2-CE 3.44Å; L244-M277 VanDerWaalsContact CD2-CE 3.44Å; V247-M277 HydrophobicContact CB-CE 4.23Å; V247-M277 HydrophobicContact CG1-CE 3.9Å; L248-M277 HydrophobicContact CD1-CG 4.24Å; L248-M277 HydrophobicContact CD2-CG 3.95Å; L248-M277 HydrophobicContact CD2-SD 4.32Å; L248-M277 HydrophobicContact CG-CG 4.13Å; I258-M277 HydrophobicContact CD1-SD 3.6Å; I258-M277 VanDerWaalsContact CD1-SD 3.6Å; I258-M277 HydrophobicContact CG2-SD 3.76Å; E262-M277 PolarHBondContact OE1-N 3.17Å; Q275-M277 PolarHBondContact O-N 2.82Å; M277-S279 PolarHBondContact O-N 2.94Å; M277-L280 PolarHBondContact O-N 3.1Å; M277-S281 PolarHBondContact O-N 3.11Å; M277-I286 HydrophobicContact CG-CD1 4.05Å
278	A	98.6	Very high	96.9	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-63.6	-36.6	179.8	0	0	0	0	0	113.7	A145 S276 L280 S281 I286 H309 R311	A145-A278 HydrophobicContact CB-CB 4.12Å; S276-A278 PolarHBondContact O-N 3.18Å; S276-A278 PolarHBondContact OG-N 3.31Å; A278-L280 PolarHBondContact O-N 3.4Å; A278-S281 PolarHBondContact O-N 2.87Å; A278-I286 HydrophobicContact CB-CD1 4.22Å; A278-H309 HydrophobicContact CB-CB 3.86Å; A278-H309 WeakPolarHBondContact CB-CD2 3.4Å; A278-R311 PolarHBondContact O-NH2 3.19Å
279	S	98.5	Very high	96.9	Very high	27 Å²	27	36.6 Å²	36.6	19%	0.189	23%	0.226	C	C	.	.	H	α-helix	trans	-71.4	-12.6	178.8	72	0	0	0	0	113.2	E144 S276 M277	E144-S279 WeakPolarHBondContact CB-O 3.02Å; S276-S279 PolarHBondContact O-N 3.22Å; S276-S279 PolarHBondContact O-OG 2.8Å; M277-S279 PolarHBondContact O-N 2.94Å
280	L	98.7	Very high	97	Very high	28 Å²	28	36.2 Å²	36.2	15%	0.147	23%	0.226	C	C	.	.	H	α-helix	trans	-98.8	-11.2	175.2	-57.6	-179.9	0	0	0	113	K241 L244 L248 Q275 M277 A278	K241-L280 HydrophobicContact CD-CD2 4.17Å; K241-L280 HydrophobicContact CG-CD1 4Å; K241-L280 HydrophobicContact CG-CD2 3.94Å; L244-L280 HydrophobicContact CB-CD1 3.67Å; L244-L280 HydrophobicContact CD1-CD1 3.78Å; L244-L280 HydrophobicContact CG-CD1 4.39Å; L248-L280 HydrophobicContact CD1-CB 3.73Å; Q275-L280 HydrophobicContact CB-CD1 4.06Å; M277-L280 PolarHBondContact O-N 3.1Å; A278-L280 PolarHBondContact O-N 3.4Å
281	S	98.6	Very high	97.2	Very high	8 Å²	8	32.3 Å²	32.3	6%	0.056	20%	0.201	C	C	.	.			trans	-86.4	129.9	-177.7	-178.2	0	0	0	0	112.3	M277 A278 V284 R311	M277-S281 PolarHBondContact O-N 3.11Å; A278-S281 PolarHBondContact O-N 2.87Å; S281-V284 PolarHBondContact OG-N 3.01Å; S281-V284 VanDerWaalsContact OG-N 3.17Å; S281-V284 PolarHBondContact OG-O 3.25Å; S281-R311 PolarHBondContact O-NE 2.75Å; S281-R311 PolarHBondContact O-NH2 3.47Å
282	S	97.4	Very high	97.7	Very high	97 Å²	97	28.1 Å²	28.1	68%	0.678	16%	0.158	S	C	*	.	S	Bend	trans	-96	-34.4	172	44.5	0	0	0	0	113.7
283	D	98.4	Very high	98.1	Very high	57 Å²	57	25.7 Å²	25.7	31%	0.305	14%	0.142	S	C	.	.	S	Bend	trans	-140.3	-18.8	-165.4	63.5	-34.8	0	0	0	113.9	S252 I314	S252-D283 WeakPolarHBondContact CB-OD2 3.5Å; S252-D283 PolarHBondContact OG-OD2 3.17Å; D283-I314 WeakPolarHBondContact O-CD1 3.42Å
284	V	98.8	Very high	98.4	Very high	3 Å²	3	19.2 Å²	19.2	2%	0.018	11%	0.114	C	C	.	.			trans	-82.8	121.5	177.9	-177.4	0	0	0	0	109.9	L248 A251 I258 S281 I286 R311	L248-V284 HydrophobicContact CD2-CB 4.02Å; L248-V284 HydrophobicContact CD2-CG1 4.35Å; L248-V284 HydrophobicContact CD2-CG2 4.26Å; A251-V284 HydrophobicContact CB-CG1 3.93Å; A251-V284 HydrophobicContact CB-CG2 4.15Å; I258-V284 HydrophobicContact CD1-CG1 3.99Å; I258-V284 HydrophobicContact CG1-CG1 4Å; S281-V284 PolarHBondContact OG-N 3.01Å; S281-V284 VanDerWaalsContact OG-N 3.17Å; S281-V284 PolarHBondContact OG-O 3.25Å; V284-I286 HydrophobicContact CG1-CG1 4.49Å; V284-R311 WeakPolarHBondContact O-CG 3.43Å
285	P	98.8	Very high	98.4	Very high	8 Å²	8	18.9 Å²	18.9	5%	0.052	11%	0.112	C	C	.	.			trans	-75.9	135.8	175.8	34.4	-36.9	0	0	0	110.7	P257 I258 H309 I314 F315	P257-P285 WeakPolarHBondContact CA-O 3.46Å; P257-P285 HydrophobicContact CB-CG 4.08Å; I258-P285 PolarHBondContact N-O 2.97Å; I258-P285 VanDerWaalsContact N-O 3.16Å; P285-H309 WeakPolarHBondContact CA-O 3.37Å; P285-I314 HydrophobicContact CB-CB 4.3Å; P285-I314 HydrophobicContact CG-CB 3.99Å; P285-I314 HydrophobicContact CG-CD1 4.25Å; P285-I314 HydrophobicContact CG-CG2 3.79Å; P285-F315 HydrophobicContact CB-CD1 4.07Å; P285-F315 HydrophobicContact CB-CD2 3.83Å; P285-F315 HydrophobicContact CB-CE1 3.91Å; P285-F315 HydrophobicContact CB-CE2 3.65Å; P285-F315 HydrophobicContact CB-CG 4.04Å; P285-F315 HydrophobicContact CB-CZ 3.69Å; P285-F315 HydrophobicContact CG-CD1 4.34Å; P285-F315 HydrophobicContact CG-CE1 4.02Å; P285-F315 HydrophobicContact CG-CZ 4.13Å
286	I	98.9	Very high	98.6	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	131.8	-172.1	-63.1	157.3	0	0	0	110.5	L248 I258 A260 M277 A278 V284 A288 H309	L248-I286 HydrophobicContact CD2-CD1 4.07Å; I258-I286 HydrophobicContact CB-CG1 4.11Å; I258-I286 VanDerWaalsContact O-CA 3.3Å; I258-I286 WeakPolarHBondContact O-CA 3.17Å; A260-I286 HydrophobicContact CB-CG2 3.84Å; M277-I286 HydrophobicContact CG-CD1 4.05Å; A278-I286 HydrophobicContact CB-CD1 4.22Å; V284-I286 HydrophobicContact CG1-CG1 4.49Å; I286-A288 HydrophobicContact CG2-CB 4.35Å; I286-H309 HydrophobicContact CB-CB 4.22Å; I286-H309 PolarHBondContact N-O 3.46Å; I286-H309 PolarHBondContact O-N 3.27Å
287	L	98.9	Very high	98.6	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	107.2	161.4	-63.4	-177.3	0	0	0	107.8	A165 V168 L169 I258 L259 A260 I306 I308 F315 L323	A165-L287 HydrophobicContact CB-CB 4.45Å; A165-L287 HydrophobicContact CB-CD1 3.89Å; V168-L287 HydrophobicContact CG1-CD1 4.12Å; L169-L287 HydrophobicContact CD1-CD1 4.05Å; L169-L287 HydrophobicContact CG-CD1 4.25Å; I258-L287 PolarHBondContact O-N 2.87Å; L259-L287 WeakPolarHBondContact CA-O 3.35Å; L259-L287 HydrophobicContact CD1-CB 4.32Å; L259-L287 VanDerWaalsContact CD1-O 3.3Å; L259-L287 WeakPolarHBondContact CD1-O 3.44Å; A260-L287 PolarHBondContact N-O 2.9Å; L287-I306 HydrophobicContact CB-CG2 4.25Å; L287-I306 HydrophobicContact CD2-CG2 4.09Å; L287-I308 HydrophobicContact CD2-CB 4.22Å; L287-I308 HydrophobicContact CD2-CG1 3.9Å; L287-I308 HydrophobicContact CD2-CG2 3.99Å; L287-F315 HydrophobicContact CD2-CD2 4.15Å; L287-F315 HydrophobicContact CD2-CE2 3.65Å; L287-F315 HydrophobicContact CD2-CZ 4.25Å; L287-F315 HydrophobicContact CG-CE2 3.77Å; L287-F315 HydrophobicContact CG-CZ 3.88Å; L287-L323 HydrophobicContact CD2-CD1 4.39Å
288	A	98.9	Very high	98.7	Very high	2 Å²	2	15.7 Å²	15.7	2%	0.017	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	132.2	178	0	0	0	0	0	110.4	A260 I286 I306 L307	A260-A288 HydrophobicContact CB-CB 4.38Å; A260-A288 CarbonylContact O-C 3.59Å; A260-A288 VanDerWaalsContact O-CA 3.31Å; A260-A288 WeakPolarHBondContact O-CA 3.3Å; I286-A288 HydrophobicContact CG2-CB 4.35Å; A288-I306 CarbonylContact O-C 3.49Å; A288-I306 WeakPolarHBondContact O-CA 3.4Å; A288-L307 HydrophobicContact CB-CB 4.29Å; A288-L307 PolarHBondContact N-O 3.31Å; A288-L307 PolarHBondContact O-N 3.25Å
289	C	98.9	Very high	98.7	Very high	2 Å²	2	16.6 Å²	16.6	1%	0.014	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	133.1	-178.6	-68.6	0	0	0	0	110.4	C158 A161 I162 L259 A260 E262 I263 W305	C158-C289 VanDerWaalsContact SG-CB 3.57Å; A161-C289 HydrophobicContact CB-CB 4Å; I162-C289 HydrophobicContact CG1-CB 4.37Å; L259-C289 WeakPolarHBondContact CD1-SG 3.33Å; A260-C289 PolarHBondContact O-N 3.07Å; E262-C289 CarbonylContact C-O 3.52Å; E262-C289 PolarHBondContact N-O 3.15Å; I263-C289 PolarHBondContact N-O 2.96Å; C289-W305 WeakPolarHBondContact CA-O 3.41Å
290	G	98.8	Very high	98.7	Very high	5 Å²	5	18.2 Å²	18.2	5%	0.052	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	-174.1	-178.9	0	0	0	0	0	112.8	G304 W305	G290-G304 CarbonylContact O-C 3.55Å; G290-G304 WeakPolarHBondContact O-CA 3.21Å; G290-W305 PolarHBondContact N-O 2.88Å; G290-W305 VanDerWaalsContact N-O 3.09Å; G290-W305 PolarHBondContact O-N 3.14Å
291	G	98.6	Very high	98.7	Very high	4 Å²	4	20.2 Å²	20.2	4%	0.041	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165.8	-179.3	178.3	0	0	0	0	0	115.7	I263 A293 M303 W305	I263-G291 VanDerWaalsContact CD1-N 3.25Å; G291-A293 VanDerWaalsContact C-N 3.3Å; G291-A293 PolarHBondContact O-N 2.9Å; G291-M303 WeakPolarHBondContact CA-O 3.38Å; G291-W305 VanDerWaalsContact CA-CH2 3.47Å; G291-W305 VanDerWaalsContact CA-CZ2 3.44Å
292	L	98.9	Very high	98.7	Very high	1 Å²	1	24 Å²	24	1%	0.005	14%	0.141	C	C	.	.	S	Bend	trans	-78.8	-13.9	-177.8	-60.2	-179.3	0	0	0	113.5	K294 W296 V298 M303 W305 V337 I344 L345	L292-K294 VanDerWaalsContact C-N 3.27Å; L292-K294 PolarHBondContact O-N 2.94Å; L292-K294 VanDerWaalsContact O-N 3.11Å; L292-W296 HydrophobicContact CB-CB 4.38Å; L292-W296 HydrophobicContact CD2-CB 4.49Å; L292-W296 HydrophobicContact CD2-CD2 3.65Å; L292-W296 HydrophobicContact CD2-CE3 3.61Å; L292-W296 HydrophobicContact CD2-CG 4.06Å; L292-W296 HydrophobicContact CD2-CZ3 4.07Å; L292-W296 WeakPolarHBondContact O-CB 3.46Å; L292-W296 PolarHBondContact O-N 2.94Å; L292-V298 HydrophobicContact CB-CG2 3.74Å; L292-M303 HydrophobicContact CD1-CB 3.87Å; L292-M303 HydrophobicContact CD1-CG 3.91Å; L292-M303 HydrophobicContact CG-CB 4.2Å; L292-M303 HydrophobicContact CG-CG 4.22Å; L292-M303 PolarHBondContact N-O 2.84Å; L292-W305 HydrophobicContact CD2-CH2 3.88Å; L292-W305 HydrophobicContact CD2-CZ3 4.11Å; L292-W305 HydrophobicContact CG-CH2 4.23Å; L292-W305 HydrophobicContact CG-CZ3 4.08Å; L292-V337 HydrophobicContact CD1-CG1 3.98Å; L292-I344 HydrophobicContact CD1-CD1 3.93Å; L292-I344 HydrophobicContact CD1-CG2 4.23Å; L292-I344 HydrophobicContact CD2-CG2 3.73Å; L292-L345 HydrophobicContact CD2-CD2 4.19Å
293	A	98.7	Very high	98.7	Very high	10 Å²	10	19.6 Å²	19.6	8%	0.083	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-30.6	-163.4	0	0	0	0	0	115.1	I263 G291 P299	I263-A293 HydrophobicContact CD1-CB 4.47Å; G291-A293 VanDerWaalsContact C-N 3.3Å; G291-A293 PolarHBondContact O-N 2.9Å; A293-P299 HydrophobicContact CB-CB 4.27Å; A293-P299 WeakPolarHBondContact O-CD 3.39Å
294	K	98.6	Very high	98.8	Very high	34 Å²	34	16.9 Å²	16.9	15%	0.148	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.7	-60	-172.5	-56.6	-58.9	-180	-177.5	0	111.5	G93 I263 Y264 M267 L292 W296 L297 M386	G93-K294 PolarHBondContact O-NZ 3.26Å; I263-K294 HydrophobicContact CG1-CB 4.5Å; I263-K294 HydrophobicContact CG1-CG 3.81Å; Y264-K294 HydrophobicContact CD1-CB 3.99Å; Y264-K294 HydrophobicContact CD1-CG 4.13Å; Y264-K294 HydrophobicContact CE1-CB 3.88Å; Y264-K294 HydrophobicContact CE1-CD 3.86Å; Y264-K294 HydrophobicContact CE1-CG 3.62Å; Y264-K294 WeakPolarHBondContact OH-CE 3.38Å; M267-K294 VanDerWaalsContact SD-C 3.6Å; M267-K294 HydrophobicContact SD-CB 3.84Å; L292-K294 VanDerWaalsContact C-N 3.27Å; L292-K294 PolarHBondContact O-N 2.94Å; L292-K294 VanDerWaalsContact O-N 3.11Å; K294-W296 VanDerWaalsContact C-N 3.29Å; K294-W296 PolarHBondContact O-N 3.37Å; K294-L297 WeakPolarHBondContact O-CD2 3.42Å; K294-L297 PolarHBondContact O-N 3.28Å; K294-L297 VanDerWaalsContact O-N 3.1Å; K294-M386 HydrophobicContact CB-CE 3.97Å; K294-M386 HydrophobicContact CD-CE 4.34Å; K294-M386 HydrophobicContact CD-SD 4.21Å; K294-M386 WeakPolarHBondContact O-CE 3.34Å
295	R	98.5	Very high	98.8	Very high	30 Å²	30	16.8 Å²	16.8	11%	0.113	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-30.2	-178	-177.7	177.6	-179.7	-178.9	11.8	114.2	D266 M267 F352 Y353	D266-R295 IonicContact OD2-CZ 3.95Å; D266-R295 VanDerWaalsContact OD2-CZ 3.29Å; D266-R295 IonicContact OD2-NH1 3.12Å; D266-R295 PolarHBondContact OD2-NH1 3.37Å; D266-R295 IonicContact OD2-NH2 3.16Å; D266-R295 PolarHBondContact OD2-NH2 3.2Å; M267-R295 HydrophobicContact CG-CB 4.02Å; M267-R295 HydrophobicContact CG-CG 4.32Å; M267-R295 VanDerWaalsContact SD-CA 3.56Å; M267-R295 HydrophobicContact SD-CB 4.03Å; M267-R295 PolarHBondContact SD-N 2.92Å; R295-F352 WeakPolarHBondContact O-CE1 3.14Å; R295-Y353 HydrophobicContact CG-CD1 4.02Å; R295-Y353 HydrophobicContact CG-CE1 4.03Å
296	W	98.8	Very high	98.8	Very high	1 Å²	1	16.4 Å²	16.4	0%	0.004	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.3	7.1	175.1	-70.3	-96.1	0	0	0	113.4	T103 F139 L292 K294 V298 I344 L345 Y353	T103-W296 WeakPolarHBondContact CB-O 3.18Å; T103-W296 PolarHBondContact OG1-O 3.06Å; T103-W296 VanDerWaalsContact OG1-O 3.06Å; F139-W296 HydrophobicContact CE1-CH2 4.39Å; F139-W296 HydrophobicContact CZ-CH2 4.42Å; F139-W296 HydrophobicContact CZ-CZ2 4.42Å; L292-W296 HydrophobicContact CB-CB 4.38Å; L292-W296 HydrophobicContact CD2-CB 4.49Å; L292-W296 HydrophobicContact CD2-CD2 3.65Å; L292-W296 HydrophobicContact CD2-CE3 3.61Å; L292-W296 HydrophobicContact CD2-CG 4.06Å; L292-W296 HydrophobicContact CD2-CZ3 4.07Å; L292-W296 WeakPolarHBondContact O-CB 3.46Å; L292-W296 PolarHBondContact O-N 2.94Å; K294-W296 VanDerWaalsContact C-N 3.29Å; K294-W296 PolarHBondContact O-N 3.37Å; W296-V298 VanDerWaalsContact C-N 3.25Å; W296-V298 HydrophobicContact CB-CG2 4.11Å; W296-V298 PolarHBondContact O-N 3.35Å; W296-V298 VanDerWaalsContact O-N 3.16Å; W296-I344 HydrophobicContact CD2-CG2 4.46Å; W296-I344 HydrophobicContact CG-CG2 4.13Å; W296-I344 PolarHBondContact NE1-O 2.98Å; W296-L345 HydrophobicContact CH2-CD2 3.47Å; W296-L345 VanDerWaalsContact CH2-CD2 3.47Å; W296-L345 HydrophobicContact CZ2-CD2 3.32Å; W296-L345 HydrophobicContact CZ3-CD2 4.31Å; W296-Y353 AromaticContact CE2-CE1 3.98Å; W296-Y353 HydrophobicContact CZ2-CE1 4.25Å; W296-Y353 WeakPolarHBondContact CZ2-OH 3.39Å; W296-Y353 AromaticContact NE1-CE1 3.88Å; W296-Y353 AromaticContact NE1-CZ 3.9Å; W296-Y353 PolarHBondContact NE1-OH 3.22Å
297	L	98.7	Very high	98.8	Very high	3 Å²	3	16.9 Å²	16.9	2%	0.016	9%	0.094	C	C	.	.	S	Bend	trans	56.3	34.2	172.9	-51	171.5	0	0	0	114.4	P95 T96 L101 K294 P299 F352 T356 M386	P95-L297 HydrophobicContact CB-CD2 3.81Å; P95-L297 HydrophobicContact CG-CD2 3.78Å; T96-L297 WeakPolarHBondContact CG2-O 3.41Å; L101-L297 HydrophobicContact CB-CD1 3.99Å; L101-L297 HydrophobicContact CB-CD2 4.47Å; K294-L297 WeakPolarHBondContact O-CD2 3.42Å; K294-L297 PolarHBondContact O-N 3.28Å; K294-L297 VanDerWaalsContact O-N 3.1Å; L297-P299 WeakPolarHBondContact O-CD 3.48Å; L297-F352 HydrophobicContact CD1-CE2 3.85Å; L297-F352 HydrophobicContact CD1-CZ 3.77Å; L297-F352 HydrophobicContact CG-CZ 4.09Å; L297-T356 HydrophobicContact CD1-CG2 4.27Å; L297-T356 HydrophobicContact CD2-CG2 4.39Å; L297-M386 HydrophobicContact CD2-CE 4.01Å
298	V	98.7	Very high	98.8	Very high	10 Å²	10	17 Å²	17	6%	0.061	10%	0.095	C	C	.	.			trans	-125.2	54.2	179.3	-69.3	0	0	0	0	113	T103 L292 W296 G300 W301	T103-V298 HydrophobicContact CG2-CG1 3.87Å; L292-V298 HydrophobicContact CB-CG2 3.74Å; W296-V298 VanDerWaalsContact C-N 3.25Å; W296-V298 HydrophobicContact CB-CG2 4.11Å; W296-V298 PolarHBondContact O-N 3.35Å; W296-V298 VanDerWaalsContact O-N 3.16Å; V298-G300 PolarHBondContact O-N 2.98Å; V298-G300 VanDerWaalsContact O-N 3.11Å; V298-W301 HydrophobicContact CB-CB 4.26Å; V298-W301 HydrophobicContact CB-CD2 3.54Å; V298-W301 HydrophobicContact CB-CE3 3.7Å; V298-W301 HydrophobicContact CB-CG 3.79Å; V298-W301 HydrophobicContact CB-CZ2 4.47Å; V298-W301 HydrophobicContact CB-CZ3 4.22Å; V298-W301 HydrophobicContact CG1-CD2 3.75Å; V298-W301 HydrophobicContact CG1-CE3 3.81Å; V298-W301 HydrophobicContact CG1-CG 4.43Å; V298-W301 HydrophobicContact CG1-CH2 3.81Å; V298-W301 HydrophobicContact CG1-CZ2 3.74Å; V298-W301 HydrophobicContact CG1-CZ3 3.82Å; V298-W301 HydrophobicContact CG2-CB 4.44Å; V298-W301 HydrophobicContact CG2-CD2 3.97Å; V298-W301 HydrophobicContact CG2-CE3 3.63Å; V298-W301 HydrophobicContact CG2-CG 4.34Å; V298-W301 HydrophobicContact CG2-CZ3 4.14Å; V298-W301 PolarHBondContact O-N 3.46Å
299	P	98.6	Very high	98.8	Very high	18 Å²	18	17.3 Å²	17.3	12%	0.117	10%	0.096	C	C	.	.	G	3₁₀ helix	trans	-60	-29.6	-172.8	25.4	-34.6	0	0	0	113.7	D94 T96 A293 L297 W301 R302	D94-P299 WeakPolarHBondContact OD1-CG 3.25Å; T96-P299 HydrophobicContact CG2-CG 4.5Å; A293-P299 HydrophobicContact CB-CB 4.27Å; A293-P299 WeakPolarHBondContact O-CD 3.39Å; L297-P299 WeakPolarHBondContact O-CD 3.48Å; P299-W301 VanDerWaalsContact C-N 3.32Å; P299-W301 PolarHBondContact O-N 2.89Å; P299-R302 WeakPolarHBondContact O-CD 3.44Å; P299-R302 PolarHBondContact O-NH1 2.92Å
300	G	98.5	Very high	98.7	Very high	62 Å²	62	18.3 Å²	18.3	64%	0.639	10%	0.101	S	C	*	.	G	3₁₀ helix	trans	-72.8	-15.6	178.3	0	0	0	0	0	115	V298 R302	V298-G300 PolarHBondContact O-N 2.98Å; V298-G300 VanDerWaalsContact O-N 3.11Å; G300-R302 VanDerWaalsContact C-N 3.29Å; G300-R302 WeakPolarHBondContact O-CG 3.21Å; G300-R302 PolarHBondContact O-N 2.91Å
301	W	98.7	Very high	98.7	Very high	70 Å²	70	19.9 Å²	19.9	27%	0.265	11%	0.105	S	C	.	.	G	3₁₀ helix	trans	-79.9	-12.1	-177.2	-68.9	6.1	0	0	0	114	V107 L111 V298 P299 M303 V337 I344	V107-W301 HydrophobicContact CG1-CH2 3.72Å; V107-W301 HydrophobicContact CG1-CZ3 3.51Å; L111-W301 HydrophobicContact CD1-CE3 3.69Å; L111-W301 HydrophobicContact CD1-CH2 3.5Å; L111-W301 VanDerWaalsContact CD1-CH2 3.5Å; L111-W301 HydrophobicContact CD1-CZ2 4.38Å; L111-W301 HydrophobicContact CD1-CZ3 3.1Å; L111-W301 HydrophobicContact CD2-CD2 3.89Å; L111-W301 HydrophobicContact CD2-CE3 3.87Å; L111-W301 HydrophobicContact CD2-CH2 3.64Å; L111-W301 HydrophobicContact CD2-CZ2 3.66Å; L111-W301 HydrophobicContact CD2-CZ3 3.77Å; L111-W301 HydrophobicContact CG-CE3 4.42Å; L111-W301 HydrophobicContact CG-CH2 4.08Å; L111-W301 HydrophobicContact CG-CZ3 4.03Å; V298-W301 HydrophobicContact CB-CB 4.26Å; V298-W301 HydrophobicContact CB-CD2 3.54Å; V298-W301 HydrophobicContact CB-CE3 3.7Å; V298-W301 HydrophobicContact CB-CG 3.79Å; V298-W301 HydrophobicContact CB-CZ2 4.47Å; V298-W301 HydrophobicContact CB-CZ3 4.22Å; V298-W301 HydrophobicContact CG1-CD2 3.75Å; V298-W301 HydrophobicContact CG1-CE3 3.81Å; V298-W301 HydrophobicContact CG1-CG 4.43Å; V298-W301 HydrophobicContact CG1-CH2 3.81Å; V298-W301 HydrophobicContact CG1-CZ2 3.74Å; V298-W301 HydrophobicContact CG1-CZ3 3.82Å; V298-W301 HydrophobicContact CG2-CB 4.44Å; V298-W301 HydrophobicContact CG2-CD2 3.97Å; V298-W301 HydrophobicContact CG2-CE3 3.63Å; V298-W301 HydrophobicContact CG2-CG 4.34Å; V298-W301 HydrophobicContact CG2-CZ3 4.14Å; V298-W301 PolarHBondContact O-N 3.46Å; P299-W301 VanDerWaalsContact C-N 3.32Å; P299-W301 PolarHBondContact O-N 2.89Å; W301-M303 PolarHBondContact O-N 3.3Å; W301-V337 HydrophobicContact CB-CG2 4.36Å; W301-V337 HydrophobicContact CE3-CG1 4.42Å; W301-I344 HydrophobicContact CZ3-CD1 4.23Å
302	R	98.7	Very high	98.6	Very high	88 Å²	88	25.6 Å²	25.6	33%	0.332	14%	0.135	S	C	.	.			trans	53.8	52.3	172.5	-46.7	-46.7	-53.9	151.6	-1.6	112.7	S156 G157 S159 P299 G300	S156-R302 CarbonylContact C-O 3.54Å; S156-R302 VanDerWaalsContact CA-O 3.25Å; S156-R302 WeakPolarHBondContact CA-O 3.4Å; S156-R302 PolarHBondContact O-NH2 2.94Å; G157-R302 VanDerWaalsContact N-C 3.28Å; G157-R302 PolarHBondContact N-O 2.93Å; G157-R302 VanDerWaalsContact N-O 3.14Å; S159-R302 PolarHBondContact OG-NH2 3.32Å; P299-R302 WeakPolarHBondContact O-CD 3.44Å; P299-R302 PolarHBondContact O-NH1 2.92Å; G300-R302 VanDerWaalsContact C-N 3.29Å; G300-R302 WeakPolarHBondContact O-CG 3.21Å; G300-R302 PolarHBondContact O-N 2.91Å
303	M	98.9	Very high	98.5	Very high	3 Å²	3	32.1 Å²	32.1	2%	0.015	17%	0.166	C	C	.	.			trans	-118.2	120.9	171.6	-173.7	57.3	62.1	0	0	110.7	G291 L292 W301 A333 V337 Q338 I341	G291-M303 WeakPolarHBondContact CA-O 3.38Å; L292-M303 HydrophobicContact CD1-CB 3.87Å; L292-M303 HydrophobicContact CD1-CG 3.91Å; L292-M303 HydrophobicContact CG-CB 4.2Å; L292-M303 HydrophobicContact CG-CG 4.22Å; L292-M303 PolarHBondContact N-O 2.84Å; W301-M303 PolarHBondContact O-N 3.3Å; M303-A333 HydrophobicContact CE-CB 3.5Å; M303-A333 HydrophobicContact SD-CB 3.87Å; M303-V337 HydrophobicContact CB-CB 4.5Å; M303-V337 HydrophobicContact CB-CG1 3.61Å; M303-V337 HydrophobicContact CE-CB 3.61Å; M303-V337 HydrophobicContact CE-CG1 3.77Å; M303-V337 HydrophobicContact CG-CG1 3.92Å; M303-Q338 HydrophobicContact CE-CB 4.36Å; M303-Q338 HydrophobicContact CE-CG 3.5Å; M303-Q338 VanDerWaalsContact CE-CG 3.5Å; M303-Q338 HydrophobicContact SD-CG 4.32Å; M303-I341 HydrophobicContact CG-CD1 4.22Å; M303-I341 HydrophobicContact SD-CD1 4.49Å
304	G	98.8	Very high	98.5	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	-178.3	174.8	0	0	0	0	0	111.1	T155 G290	T155-G304 PolarHBondContact N-O 2.87Å; T155-G304 PolarHBondContact O-N 2.82Å; T155-G304 VanDerWaalsContact OG1-C 3.23Å; T155-G304 PolarHBondContact OG1-O 3.25Å; G290-G304 CarbonylContact O-C 3.55Å; G290-G304 WeakPolarHBondContact O-CA 3.21Å
305	W	98.9	Very high	98.5	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.008	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	155.9	-178	44.7	78	0	0	0	111.8	V136 Y140 V152 V153 L154 T155 C289 G290 G291 L292 L307 I341 L345	V136-W305 HydrophobicContact CG1-CB 4.33Å; V136-W305 HydrophobicContact CG1-CD2 3.96Å; V136-W305 HydrophobicContact CG1-CE3 4.4Å; V136-W305 HydrophobicContact CG1-CG 3.9Å; V136-W305 HydrophobicContact CG2-CE3 4.14Å; V136-W305 HydrophobicContact CG2-CZ3 4.48Å; Y140-W305 AromaticContact CE2-CE2 3.75Å; Y140-W305 HydrophobicContact CE2-CH2 4.5Å; Y140-W305 AromaticContact CE2-CZ2 3.61Å; Y140-W305 HydrophobicContact CE2-CZ2 3.61Å; Y140-W305 AromaticContact CE2-NE1 3.71Å; Y140-W305 AromaticContact CZ-CZ2 3.83Å; Y140-W305 WeakPolarHBondContact OH-CZ2 3.13Å; V152-W305 HydrophobicContact CG1-CB 4.35Å; V153-W305 CarbonylContact O-C 3.4Å; V153-W305 WeakPolarHBondContact O-CA 3.37Å; L154-W305 HydrophobicContact CD2-CB 4.11Å; T155-W305 PolarHBondContact OG1-N 2.81Å; C289-W305 WeakPolarHBondContact CA-O 3.41Å; G290-W305 PolarHBondContact N-O 2.88Å; G290-W305 VanDerWaalsContact N-O 3.09Å; G290-W305 PolarHBondContact O-N 3.14Å; G291-W305 VanDerWaalsContact CA-CH2 3.47Å; G291-W305 VanDerWaalsContact CA-CZ2 3.44Å; L292-W305 HydrophobicContact CD2-CH2 3.88Å; L292-W305 HydrophobicContact CD2-CZ3 4.11Å; L292-W305 HydrophobicContact CG-CH2 4.23Å; L292-W305 HydrophobicContact CG-CZ3 4.08Å; W305-L307 HydrophobicContact CG-CD2 4.31Å; W305-I341 HydrophobicContact CE3-CD1 4.28Å; W305-I341 HydrophobicContact CZ3-CD1 4.02Å; W305-L345 HydrophobicContact CH2-CD2 4.46Å
306	I	98.9	Very high	98.4	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	130.9	160.4	-58.4	167.3	0	0	0	106.9	V152 V153 T155 A161 L164 L287 A288 I308 L323	V152-I306 WeakPolarHBondContact CA-O 3.41Å; V153-I306 HydrophobicContact CB-CB 4.33Å; V153-I306 PolarHBondContact N-O 3.23Å; V153-I306 PolarHBondContact O-N 2.64Å; T155-I306 HydrophobicContact CG2-CD1 4.47Å; T155-I306 HydrophobicContact CG2-CG1 4.43Å; A161-I306 HydrophobicContact CB-CG1 3.69Å; L164-I306 HydrophobicContact CB-CD1 3.89Å; L164-I306 HydrophobicContact CD1-CD1 4.48Å; L287-I306 HydrophobicContact CB-CG2 4.25Å; L287-I306 HydrophobicContact CD2-CG2 4.09Å; A288-I306 CarbonylContact O-C 3.49Å; A288-I306 WeakPolarHBondContact O-CA 3.4Å; I306-I308 HydrophobicContact CG2-CG1 4.12Å; I306-L323 HydrophobicContact CD1-CD2 3.81Å; I306-L323 HydrophobicContact CG2-CD1 4.5Å
307	L	98.9	Very high	98.4	Very high	9 Å²	9	41.2 Å²	41.2	5%	0.047	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	121.4	167.8	-47.8	177.5	0	0	0	107.9	V136 Y140 L147 D151 V152 A288 W305	V136-L307 HydrophobicContact CG1-CD2 3.76Å; Y140-L307 HydrophobicContact CD1-CD1 4.37Å; Y140-L307 HydrophobicContact CD2-CD1 3.97Å; Y140-L307 HydrophobicContact CG-CD1 3.78Å; L147-L307 HydrophobicContact CD1-CB 4.14Å; L147-L307 HydrophobicContact CD1-CD1 3.99Å; L147-L307 HydrophobicContact CD1-CD2 4.23Å; L147-L307 HydrophobicContact CD1-CG 4.33Å; L147-L307 HydrophobicContact CD2-CB 4.23Å; D151-L307 CarbonylContact O-C 3.41Å; D151-L307 WeakPolarHBondContact O-CA 3.39Å; V152-L307 HydrophobicContact CG1-CD2 4.4Å; V152-L307 HydrophobicContact CG2-CD2 3.96Å; A288-L307 HydrophobicContact CB-CB 4.29Å; A288-L307 PolarHBondContact N-O 3.31Å; A288-L307 PolarHBondContact O-N 3.25Å; W305-L307 HydrophobicContact CG-CD2 4.31Å
308	I	98.9	Very high	98.3	Very high	3 Å²	3	48 Å²	48	2%	0.015	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	101.1	-174.5	-54.4	171.1	0	0	0	108.4	D151 V153 L287 I306 D310 F315 R320 L323	D151-I308 HydrophobicContact CB-CB 4.28Å; D151-I308 WeakPolarHBondContact O-CG1 3.25Å; D151-I308 PolarHBondContact O-N 3.02Å; V153-I308 HydrophobicContact CG2-CD1 4.49Å; L287-I308 HydrophobicContact CD2-CB 4.22Å; L287-I308 HydrophobicContact CD2-CG1 3.9Å; L287-I308 HydrophobicContact CD2-CG2 3.99Å; I306-I308 HydrophobicContact CG2-CG1 4.12Å; I308-D310 HydrophobicContact CG2-CB 4.46Å; I308-D310 PolarHBondContact O-N 3.45Å; I308-F315 HydrophobicContact CG2-CD2 4.09Å; I308-R320 HydrophobicContact CD1-CG 4.19Å; I308-L323 HydrophobicContact CD1-CD1 3.69Å; I308-L323 HydrophobicContact CG1-CD1 4.13Å
309	H	98.8	Very high	98.3	Very high	9 Å²	9	49 Å²	49	4%	0.042	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	79.3	174.9	-60.1	-79.2	0	0	0	109.4	A278 P285 I286	A278-H309 HydrophobicContact CB-CB 3.86Å; A278-H309 WeakPolarHBondContact CB-CD2 3.4Å; P285-H309 WeakPolarHBondContact CA-O 3.37Å; I286-H309 HydrophobicContact CB-CB 4.22Å; I286-H309 PolarHBondContact N-O 3.46Å; I286-H309 PolarHBondContact O-N 3.27Å
310	D	98.4	Very high	98.3	Very high	23 Å²	23	50.4 Å²	50.4	12%	0.123	25%	0.249	C	C	.	.			trans	-79.8	129.5	177.4	-168	10.1	0	0	0	110.6	I308 Q313 I314 F315 G316	I308-D310 HydrophobicContact CG2-CB 4.46Å; I308-D310 PolarHBondContact O-N 3.45Å; D310-Q313 WeakPolarHBondContact OD2-CA 3.36Å; D310-I314 PolarHBondContact OD1-N 2.96Å; D310-F315 HydrophobicContact CB-CB 4.26Å; D310-F315 HydrophobicContact CB-CD2 4.22Å; D310-F315 PolarHBondContact OD1-N 3.47Å; D310-F315 PolarHBondContact OD2-N 3.43Å; D310-G316 PolarHBondContact OD2-N 3.45Å
311	R	97.6	Very high	98.3	Very high	37 Å²	37	52.3 Å²	52.3	14%	0.14	24%	0.241	C	C	.	.	S	Bend	trans	-112.6	133.6	175.6	-58	-56.9	-176.5	176.2	3.9	107.9	E144 A278 S281 V284 Q313 I314	E144-R311 PolarHBondContact O-NH1 3.13Å; E144-R311 PolarHBondContact O-NH2 2.89Å; A278-R311 PolarHBondContact O-NH2 3.19Å; S281-R311 PolarHBondContact O-NE 2.75Å; S281-R311 PolarHBondContact O-NH2 3.47Å; V284-R311 WeakPolarHBondContact O-CG 3.43Å; R311-Q313 PolarHBondContact O-N 3.17Å; R311-I314 WeakPolarHBondContact O-CD1 3.45Å; R311-I314 VanDerWaalsContact O-CG1 3.25Å; R311-I314 WeakPolarHBondContact O-CG1 3.33Å; R311-I314 PolarHBondContact O-N 2.66Å
312	N	96.4	Very high	98.3	Very high	124 Å²	124	49.8 Å²	49.8	66%	0.663	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.2	25.3	177.3	-52.3	-43.4	0	0	0	114.9	I314	N312-I314 HydrophobicContact CB-CD1 4.36Å; N312-I314 HydrophobicContact CB-CG1 4.28Å; N312-I314 PolarHBondContact O-N 2.97Å
313	Q	97	Very high	98.4	Very high	139 Å²	139	45.6 Å²	45.6	65%	0.65	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.1	29.5	-178.2	-56.7	-67.1	-57.4	0	0	113.5	D310 R311 G316	D310-Q313 WeakPolarHBondContact OD2-CA 3.36Å; R311-Q313 PolarHBondContact O-N 3.17Å; Q313-G316 PolarHBondContact O-N 3.44Å
314	I	98.3	Very high	98.3	Very high	103 Å²	103	48.3 Å²	48.3	53%	0.528	24%	0.238	S	C	.	.	S	Bend	trans	-68.3	-41.2	-178.8	-65.9	164.3	0	0	0	110.6	D283 P285 D310 R311 N312	D283-I314 WeakPolarHBondContact O-CD1 3.42Å; P285-I314 HydrophobicContact CB-CB 4.3Å; P285-I314 HydrophobicContact CG-CB 3.99Å; P285-I314 HydrophobicContact CG-CD1 4.25Å; P285-I314 HydrophobicContact CG-CG2 3.79Å; D310-I314 PolarHBondContact OD1-N 2.96Å; R311-I314 WeakPolarHBondContact O-CD1 3.45Å; R311-I314 VanDerWaalsContact O-CG1 3.25Å; R311-I314 WeakPolarHBondContact O-CG1 3.33Å; R311-I314 PolarHBondContact O-N 2.66Å; N312-I314 HydrophobicContact CB-CD1 4.36Å; N312-I314 HydrophobicContact CB-CG1 4.28Å; N312-I314 PolarHBondContact O-N 2.97Å
315	F	98.5	Very high	98.3	Very high	9 Å²	9	54.9 Å²	54.9	4%	0.039	27%	0.266	C	S	.	.	S	Bend	trans	-73.2	-39.7	170.3	-72.7	-28.5	0	0	0	111.8	L169 P257 P285 L287 I308 D310 I319	L169-F315 HydrophobicContact CD2-CE1 3.92Å; P257-F315 HydrophobicContact CB-CE1 3.62Å; P257-F315 HydrophobicContact CB-CZ 3.81Å; P257-F315 HydrophobicContact CG-CE1 4.35Å; P285-F315 HydrophobicContact CB-CD1 4.07Å; P285-F315 HydrophobicContact CB-CD2 3.83Å; P285-F315 HydrophobicContact CB-CE1 3.91Å; P285-F315 HydrophobicContact CB-CE2 3.65Å; P285-F315 HydrophobicContact CB-CG 4.04Å; P285-F315 HydrophobicContact CB-CZ 3.69Å; P285-F315 HydrophobicContact CG-CD1 4.34Å; P285-F315 HydrophobicContact CG-CE1 4.02Å; P285-F315 HydrophobicContact CG-CZ 4.13Å; L287-F315 HydrophobicContact CD2-CD2 4.15Å; L287-F315 HydrophobicContact CD2-CE2 3.65Å; L287-F315 HydrophobicContact CD2-CZ 4.25Å; L287-F315 HydrophobicContact CG-CE2 3.77Å; L287-F315 HydrophobicContact CG-CZ 3.88Å; I308-F315 HydrophobicContact CG2-CD2 4.09Å; D310-F315 HydrophobicContact CB-CB 4.26Å; D310-F315 HydrophobicContact CB-CD2 4.22Å; D310-F315 PolarHBondContact OD1-N 3.47Å; D310-F315 PolarHBondContact OD2-N 3.43Å; F315-I319 HydrophobicContact CB-CB 3.9Å; F315-I319 HydrophobicContact CB-CG1 4.06Å; F315-I319 HydrophobicContact CB-CG2 4.21Å; F315-I319 HydrophobicContact CD1-CB 4.43Å; F315-I319 HydrophobicContact CD1-CG1 3.95Å; F315-I319 HydrophobicContact CD1-CG2 4.32Å; F315-I319 HydrophobicContact CG-CB 4.32Å; F315-I319 HydrophobicContact CG-CG1 4.29Å; F315-I319 HydrophobicContact CG-CG2 4.19Å; F315-I319 WeakPolarHBondContact O-CG1 3.37Å; F315-I319 PolarHBondContact O-N 2.99Å
316	G	97.6	Very high	98.3	Very high	6 Å²	6	56.7 Å²	56.7	6%	0.062	28%	0.276	C	S	.	.	H	α-helix	trans	60	-154.9	175	0	0	0	0	0	113.1	D310 Q313 E318 R320	D310-G316 PolarHBondContact OD2-N 3.45Å; Q313-G316 PolarHBondContact O-N 3.44Å; G316-E318 VanDerWaalsContact C-N 3.34Å; G316-R320 VanDerWaalsContact O-CD 3.32Å; G316-R320 WeakPolarHBondContact O-CD 3.15Å; G316-R320 WeakPolarHBondContact O-CG 3.33Å
317	K	97.7	Very high	98.3	Very high	148 Å²	148	56.8 Å²	56.8	64%	0.643	28%	0.277	S	S	*	.	H	α-helix	trans	-79.3	-24.8	-179.2	-69.1	-178.4	-179.7	177.3	0	111.6	R320 Q321	K317-R320 PolarHBondContact O-N 2.62Å; K317-Q321 VanDerWaalsContact O-CB 3.26Å; K317-Q321 WeakPolarHBondContact O-CB 3.41Å; K317-Q321 WeakPolarHBondContact O-CG 3.39Å; K317-Q321 PolarHBondContact O-N 3.37Å
318	E	98.2	Very high	98.3	Very high	144 Å²	144	61.6 Å²	61.6	67%	0.673	30%	0.299	S	S	*	.	H	α-helix	trans	-65.5	-51.4	-172.6	-70.1	72.8	-168.1	0	0	110.8	G316 Q321 G322	G316-E318 VanDerWaalsContact C-N 3.34Å; E318-Q321 PolarHBondContact O-N 2.98Å; E318-G322 PolarHBondContact O-N 2.89Å
319	I	98.6	Very high	98.3	Very high	31 Å²	31	67.7 Å²	67.7	16%	0.159	32%	0.322	C	S	.	.	H	α-helix	trans	-66.6	-42.6	177.1	-65.9	-61.1	0	0	0	111	V168 L169 F315 Q321 G322 L323	V168-I319 HydrophobicContact CG1-CG2 4.2Å; V168-I319 HydrophobicContact CG2-CD1 4.24Å; V168-I319 HydrophobicContact CG2-CG2 4.28Å; L169-I319 HydrophobicContact CD2-CD1 4.11Å; F315-I319 HydrophobicContact CB-CB 3.9Å; F315-I319 HydrophobicContact CB-CG1 4.06Å; F315-I319 HydrophobicContact CB-CG2 4.21Å; F315-I319 HydrophobicContact CD1-CB 4.43Å; F315-I319 HydrophobicContact CD1-CG1 3.95Å; F315-I319 HydrophobicContact CD1-CG2 4.32Å; F315-I319 HydrophobicContact CG-CB 4.32Å; F315-I319 HydrophobicContact CG-CG1 4.29Å; F315-I319 HydrophobicContact CG-CG2 4.19Å; F315-I319 WeakPolarHBondContact O-CG1 3.37Å; F315-I319 PolarHBondContact O-N 2.99Å; I319-Q321 PolarHBondContact O-N 3.07Å; I319-G322 WeakPolarHBondContact O-CA 3.18Å; I319-G322 PolarHBondContact O-N 3.39Å; I319-G322 VanDerWaalsContact O-N 3.13Å; I319-L323 HydrophobicContact CG2-CD1 4.47Å; I319-L323 PolarHBondContact O-N 3.34Å
320	R	98.7	Very high	98.2	Very high	48 Å²	48	72 Å²	72	18%	0.181	34%	0.344	C	S	.	.	H	α-helix	trans	-58.7	-47.8	177	-67.5	172.9	-178.6	-85.6	0.7	111.8	E150 D151 I308 G316 K317 G322 L323 V324	E150-R320 PolarHBondContact O-NH1 3.16Å; E150-R320 VanDerWaalsContact O-NH1 3.11Å; D151-R320 IonicContact OD1-CZ 2.64Å; D151-R320 IonicContact OD1-NH1 3.09Å; D151-R320 PolarHBondContact OD1-NH1 3.45Å; D151-R320 IonicContact OD1-NH2 3.37Å; D151-R320 PolarHBondContact OD1-NH2 3.05Å; I308-R320 HydrophobicContact CD1-CG 4.19Å; G316-R320 VanDerWaalsContact O-CD 3.32Å; G316-R320 WeakPolarHBondContact O-CD 3.15Å; G316-R320 WeakPolarHBondContact O-CG 3.33Å; K317-R320 PolarHBondContact O-N 2.62Å; R320-G322 VanDerWaalsContact C-N 3.31Å; R320-G322 PolarHBondContact O-N 3.5Å; R320-L323 PolarHBondContact O-N 3.27Å; R320-V324 VanDerWaalsContact O-CG2 3.31Å; R320-V324 WeakPolarHBondContact O-CG2 3.33Å; R320-V324 PolarHBondContact O-N 2.9Å
321	Q	98.5	Very high	98.1	Very high	102 Å²	102	76 Å²	76	48%	0.477	37%	0.365	S	S	.	.	H	α-helix	trans	-66.3	-34.6	175.9	-72.8	175.7	14.3	0	0	112.1	K317 E318 I319 V324 K325	K317-Q321 VanDerWaalsContact O-CB 3.26Å; K317-Q321 WeakPolarHBondContact O-CB 3.41Å; K317-Q321 WeakPolarHBondContact O-CG 3.39Å; K317-Q321 PolarHBondContact O-N 3.37Å; E318-Q321 PolarHBondContact O-N 2.98Å; I319-Q321 PolarHBondContact O-N 3.07Å; Q321-V324 PolarHBondContact O-N 3.25Å; Q321-K325 WeakPolarHBondContact O-CB 3.44Å; Q321-K325 VanDerWaalsContact O-CG 3.26Å; Q321-K325 WeakPolarHBondContact O-CG 3.14Å; Q321-K325 PolarHBondContact O-N 2.79Å
322	G	98.8	Very high	97.9	Very high	17 Å²	17	74.9 Å²	74.9	18%	0.175	36%	0.364	C	S	.	.	H	α-helix	trans	-57.6	-50.4	171.9	0	0	0	0	0	111.6	E318 I319 R320 V324 K325 L326	E318-G322 PolarHBondContact O-N 2.89Å; I319-G322 WeakPolarHBondContact O-CA 3.18Å; I319-G322 PolarHBondContact O-N 3.39Å; I319-G322 VanDerWaalsContact O-N 3.13Å; R320-G322 VanDerWaalsContact C-N 3.31Å; R320-G322 PolarHBondContact O-N 3.5Å; G322-V324 PolarHBondContact O-N 2.89Å; G322-K325 PolarHBondContact O-N 3.09Å; G322-L326 WeakPolarHBondContact O-CG 3.32Å; G322-L326 PolarHBondContact O-N 3.02Å
323	L	98.9	Very high	98	Very high	0 Å²	0	69.4 Å²	69.4	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-60	-44.3	175.8	-73.2	172.9	0	0	0	112.1	V153 L164 V168 L287 I306 I308 I319 R320 K325 L326 S327	V153-L323 HydrophobicContact CG2-CB 4.4Å; L164-L323 HydrophobicContact CB-CD2 4.05Å; V168-L323 HydrophobicContact CB-CD2 3.94Å; V168-L323 HydrophobicContact CB-CG 4.24Å; V168-L323 HydrophobicContact CG1-CD2 3.67Å; V168-L323 HydrophobicContact CG1-CG 3.98Å; V168-L323 HydrophobicContact CG2-CD2 4.4Å; V168-L323 HydrophobicContact CG2-CG 4.16Å; L287-L323 HydrophobicContact CD2-CD1 4.39Å; I306-L323 HydrophobicContact CD1-CD2 3.81Å; I306-L323 HydrophobicContact CG2-CD1 4.5Å; I308-L323 HydrophobicContact CD1-CD1 3.69Å; I308-L323 HydrophobicContact CG1-CD1 4.13Å; I319-L323 HydrophobicContact CG2-CD1 4.47Å; I319-L323 PolarHBondContact O-N 3.34Å; R320-L323 PolarHBondContact O-N 3.27Å; L323-K325 VanDerWaalsContact C-N 3.34Å; L323-K325 PolarHBondContact O-N 2.98Å; L323-L326 PolarHBondContact O-N 3.12Å; L323-S327 WeakPolarHBondContact O-CB 3.43Å; L323-S327 PolarHBondContact O-N 2.74Å; L323-S327 PolarHBondContact O-OG 3.32Å
324	V	98.8	Very high	98.1	Very high	61 Å²	61	66 Å²	66	37%	0.37	33%	0.327	S	S	.	.	H	α-helix	trans	-60.6	-41	175.7	172.9	0	0	0	0	111.8	V127 R320 Q321 G322 S327 Q328	V127-V324 HydrophobicContact CG1-CB 4.38Å; V127-V324 HydrophobicContact CG1-CG2 3.94Å; R320-V324 VanDerWaalsContact O-CG2 3.31Å; R320-V324 WeakPolarHBondContact O-CG2 3.33Å; R320-V324 PolarHBondContact O-N 2.9Å; Q321-V324 PolarHBondContact O-N 3.25Å; G322-V324 PolarHBondContact O-N 2.89Å; V324-S327 PolarHBondContact O-OG 3.24Å; V324-Q328 VanDerWaalsContact O-CG 3.28Å; V324-Q328 WeakPolarHBondContact O-CG 2.99Å; V324-Q328 PolarHBondContact O-NE2 2.81Å
325	K	98.8	Very high	98.1	Very high	138 Å²	138	62.4 Å²	62.4	60%	0.6	31%	0.31	S	S	*	.	H	α-helix	trans	-67.7	-42.4	177.2	-73	168.6	-174.6	171.2	0	111.2	Q321 G322 L323 Q328	Q321-K325 WeakPolarHBondContact O-CB 3.44Å; Q321-K325 VanDerWaalsContact O-CG 3.26Å; Q321-K325 WeakPolarHBondContact O-CG 3.14Å; Q321-K325 PolarHBondContact O-N 2.79Å; G322-K325 PolarHBondContact O-N 3.09Å; L323-K325 VanDerWaalsContact C-N 3.34Å; L323-K325 PolarHBondContact O-N 2.98Å; K325-Q328 WeakPolarHBondContact O-CB 3.33Å; K325-Q328 PolarHBondContact O-N 3.19Å
326	L	98.8	Very high	98.1	Very high	40 Å²	40	63.3 Å²	63.3	21%	0.209	32%	0.315	C	S	.	.	H	α-helix	trans	-69.9	-35.2	-179.8	-68.2	171.2	0	0	0	112.2	L164 T167 V168 G322 L323 Q328 R329	L164-L326 HydrophobicContact CD2-CB 3.54Å; T167-L326 HydrophobicContact CG2-CD1 3.84Å; T167-L326 HydrophobicContact CG2-CD2 3.84Å; V168-L326 HydrophobicContact CB-CD1 3.83Å; V168-L326 HydrophobicContact CG2-CD1 4.3Å; G322-L326 WeakPolarHBondContact O-CG 3.32Å; G322-L326 PolarHBondContact O-N 3.02Å; L323-L326 PolarHBondContact O-N 3.12Å; L326-Q328 PolarHBondContact O-N 2.83Å; L326-R329 VanDerWaalsContact O-CB 3.25Å; L326-R329 WeakPolarHBondContact O-CB 3.15Å; L326-R329 PolarHBondContact O-N 2.92Å; L326-R329 VanDerWaalsContact O-N 3.1Å
327	S	98.6	Very high	98.2	Very high	2 Å²	2	63.3 Å²	63.3	1%	0.014	31%	0.314	C	S	.	.	H	α-helix	trans	-62	-29.5	176.4	66.8	0	0	0	0	112.5	S126 V127 L323 V324 R329 I330 L331	S126-S327 PolarHBondContact OG-OG 2.9Å; V127-S327 WeakPolarHBondContact CG1-OG 3.3Å; L323-S327 WeakPolarHBondContact O-CB 3.43Å; L323-S327 PolarHBondContact O-N 2.74Å; L323-S327 PolarHBondContact O-OG 3.32Å; V324-S327 PolarHBondContact O-OG 3.24Å; S327-R329 PolarHBondContact O-N 3.4Å; S327-I330 PolarHBondContact O-N 2.98Å; S327-L331 PolarHBondContact O-N 2.94Å
328	Q	98.6	Very high	98.2	Very high	109 Å²	109	56.4 Å²	56.4	51%	0.509	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-15.2	177.4	-65.6	163.8	8.7	0	0	113.6	S126 V324 K325 L326	S126-Q328 VanDerWaalsContact OG-CG 3.27Å; S126-Q328 WeakPolarHBondContact OG-CG 3.3Å; V324-Q328 VanDerWaalsContact O-CG 3.28Å; V324-Q328 WeakPolarHBondContact O-CG 2.99Å; V324-Q328 PolarHBondContact O-NE2 2.81Å; K325-Q328 WeakPolarHBondContact O-CB 3.33Å; K325-Q328 PolarHBondContact O-N 3.19Å; L326-Q328 PolarHBondContact O-N 2.83Å
329	R	97.9	Very high	98.2	Very high	131 Å²	131	50 Å²	50	49%	0.494	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-39.1	178.3	-173.7	175.6	66.7	172.4	-0.5	112.7	D163 L326 S327	D163-R329 IonicContact OD2-NH2 3.62Å; D163-R329 PolarHBondContact OD2-NH2 3.07Å; L326-R329 VanDerWaalsContact O-CB 3.25Å; L326-R329 WeakPolarHBondContact O-CB 3.15Å; L326-R329 PolarHBondContact O-N 2.92Å; L326-R329 VanDerWaalsContact O-N 3.1Å; S327-R329 PolarHBondContact O-N 3.4Å
330	I	97.6	Very high	98.3	Very high	100 Å²	100	48.7 Å²	48.7	51%	0.513	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.1	-11.6	-175.2	-55.6	-62.6	0	0	0	112.1	S327	S327-I330 PolarHBondContact O-N 2.98Å
331	L	96.7	Very high	98.2	Very high	108 Å²	108	46.5 Å²	46.5	57%	0.565	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.2	30.6	173.7	-53.9	161.7	0	0	0	114.8	S327	S327-L331 PolarHBondContact O-N 2.94Å
332	G	93.6	Very high	98.2	Very high	12 Å²	12	45.1 Å²	45.1	12%	0.124	24%	0.236	C	C	.	.			trans	79.6	-156.7	171	0	0	0	0	0	114.7	S126	S126-G332 VanDerWaalsContact O-CA 3.28Å; S126-G332 WeakPolarHBondContact O-CA 3.32Å; S126-G332 PolarHBondContact O-N 3.19Å
333	A	97.4	Very high	98.2	Very high	10 Å²	10	46.2 Å²	46.2	8%	0.083	24%	0.241	C	C	.	.	S	Bend	trans	-104.7	168	-175.5	0	0	0	0	0	112.9	T155 M303 T335 Q338	T155-A333 WeakPolarHBondContact O-CB 3.45Å; M303-A333 HydrophobicContact CE-CB 3.5Å; M303-A333 HydrophobicContact SD-CB 3.87Å; A333-T335 PolarHBondContact O-N 3.47Å; A333-Q338 PolarHBondContact O-NE2 3.19Å
334	C	98.7	Very high	98.2	Very high	67 Å²	67	46.2 Å²	46.2	45%	0.453	24%	0.241	S	C	.	.			trans	-51.6	121.2	177.8	179.8	0	0	0	0	112.1	I336 V337 Q338	C334-I336 VanDerWaalsContact C-N 3.3Å; C334-I336 PolarHBondContact O-N 3.32Å; C334-V337 HydrophobicContact CB-CG2 4.07Å; C334-V337 PolarHBondContact O-N 2.99Å; C334-Q338 WeakPolarHBondContact O-CG 3.32Å; C334-Q338 PolarHBondContact O-N 2.92Å; C334-Q338 VanDerWaalsContact O-N 3.11Å
335	T	98.8	Very high	98.2	Very high	28 Å²	28	43.6 Å²	43.6	17%	0.172	23%	0.225	C	C	.	.	H	α-helix	trans	-65.5	-31.3	-174.4	47.9	0	0	0	0	112.9	Y120 G122 A124 Y129 A333 Q338 G339	Y120-T335 WeakPolarHBondContact O-CB 3.49Å; Y120-T335 PolarHBondContact O-OG1 3.4Å; G122-T335 WeakPolarHBondContact O-CG2 3.4Å; A124-T335 HydrophobicContact CB-CG2 3.86Å; Y129-T335 HydrophobicContact CE2-CG2 3.98Å; A333-T335 PolarHBondContact O-N 3.47Å; T335-Q338 WeakPolarHBondContact O-CB 3.32Å; T335-Q338 PolarHBondContact O-N 3.36Å; T335-G339 PolarHBondContact O-N 3.17Å
336	I	98.9	Very high	98.2	Very high	28 Å²	28	41.6 Å²	41.6	14%	0.144	22%	0.221	C	C	.	.	H	α-helix	trans	-61.4	-45.6	173.9	-59.6	-57.9	0	0	0	110.9	L111 A114 I115 N121 C334 Q338 G339 A340	L111-I336 HydrophobicContact CG-CG2 4.49Å; A114-I336 HydrophobicContact CB-CG2 4.27Å; I115-I336 HydrophobicContact CD1-CG2 4.14Å; I115-I336 HydrophobicContact CG1-CD1 4.23Å; I115-I336 HydrophobicContact CG1-CG1 4.44Å; I115-I336 HydrophobicContact CG1-CG2 3.54Å; N121-I336 WeakPolarHBondContact OD1-CD1 3.22Å; C334-I336 VanDerWaalsContact C-N 3.3Å; C334-I336 PolarHBondContact O-N 3.32Å; I336-Q338 VanDerWaalsContact C-N 3.32Å; I336-Q338 PolarHBondContact O-N 2.67Å; I336-G339 PolarHBondContact O-N 3.09Å; I336-A340 PolarHBondContact O-N 3.43Å
337	V	98.9	Very high	98.2	Very high	6 Å²	6	43.9 Å²	43.9	4%	0.036	23%	0.233	C	C	.	.	H	α-helix	trans	-69.1	-34.4	178.8	-171.4	0	0	0	0	110.6	L111 L292 W301 M303 C334 G339 A340 I341	L111-V337 HydrophobicContact CD2-CG2 4.45Å; L292-V337 HydrophobicContact CD1-CG1 3.98Å; W301-V337 HydrophobicContact CB-CG2 4.36Å; W301-V337 HydrophobicContact CE3-CG1 4.42Å; M303-V337 HydrophobicContact CB-CB 4.5Å; M303-V337 HydrophobicContact CB-CG1 3.61Å; M303-V337 HydrophobicContact CE-CB 3.61Å; M303-V337 HydrophobicContact CE-CG1 3.77Å; M303-V337 HydrophobicContact CG-CG1 3.92Å; C334-V337 HydrophobicContact CB-CG2 4.07Å; C334-V337 PolarHBondContact O-N 2.99Å; V337-G339 VanDerWaalsContact C-N 3.34Å; V337-A340 PolarHBondContact O-N 3.11Å; V337-I341 PolarHBondContact O-N 3.18Å
338	Q	98.8	Very high	98.2	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.009	24%	0.235	C	C	.	.	H	α-helix	trans	-63.1	-41	171.6	-62	-174.1	42.9	0	0	111.8	Y129 S132 L154 M303 A333 C334 T335 I336 A340 I341	Y129-Q338 HydrophobicContact CD2-CB 3.98Å; S132-Q338 PolarHBondContact OG-O 3.14Å; L154-Q338 HydrophobicContact CD1-CB 4.46Å; L154-Q338 HydrophobicContact CD1-CG 3.92Å; M303-Q338 HydrophobicContact CE-CB 4.36Å; M303-Q338 HydrophobicContact CE-CG 3.5Å; M303-Q338 VanDerWaalsContact CE-CG 3.5Å; M303-Q338 HydrophobicContact SD-CG 4.32Å; A333-Q338 PolarHBondContact O-NE2 3.19Å; C334-Q338 WeakPolarHBondContact O-CG 3.32Å; C334-Q338 PolarHBondContact O-N 2.92Å; C334-Q338 VanDerWaalsContact O-N 3.11Å; T335-Q338 WeakPolarHBondContact O-CB 3.32Å; T335-Q338 PolarHBondContact O-N 3.36Å; I336-Q338 VanDerWaalsContact C-N 3.32Å; I336-Q338 PolarHBondContact O-N 2.67Å; Q338-A340 VanDerWaalsContact C-N 3.27Å; Q338-A340 PolarHBondContact O-N 3.19Å; Q338-I341 WeakPolarHBondContact O-CB 3.35Å; Q338-I341 WeakPolarHBondContact O-CG2 3.22Å; Q338-I341 PolarHBondContact O-N 2.93Å
339	G	98.8	Very high	98.2	Very high	11 Å²	11	41.2 Å²	41.2	11%	0.113	23%	0.225	C	C	.	.	H	α-helix	trans	-67.3	-27	178.8	0	0	0	0	0	113.8	Y120 T335 I336 V337	Y120-G339 VanDerWaalsContact CZ-CA 3.49Å; T335-G339 PolarHBondContact O-N 3.17Å; I336-G339 PolarHBondContact O-N 3.09Å; V337-G339 VanDerWaalsContact C-N 3.34Å
340	A	98.8	Very high	98.2	Very high	3 Å²	3	41.9 Å²	41.9	3%	0.025	23%	0.234	C	C	.	.	H	α-helix	trans	-85.8	-12.9	176.1	0	0	0	0	0	114	A110 L111 A114 I336 V337 Q338 E342 S343 I344	A110-A340 HydrophobicContact CB-CB 4.02Å; A110-A340 WeakPolarHBondContact O-CB 3.44Å; L111-A340 HydrophobicContact CD1-CB 3.68Å; L111-A340 HydrophobicContact CG-CB 4.3Å; A114-A340 HydrophobicContact CB-CB 4.07Å; I336-A340 PolarHBondContact O-N 3.43Å; V337-A340 PolarHBondContact O-N 3.11Å; Q338-A340 VanDerWaalsContact C-N 3.27Å; Q338-A340 PolarHBondContact O-N 3.19Å; A340-E342 VanDerWaalsContact C-N 3.26Å; A340-E342 PolarHBondContact O-N 3.11Å; A340-E342 VanDerWaalsContact O-N 3.17Å; A340-S343 PolarHBondContact O-N 3.23Å; A340-I344 HydrophobicContact CB-CD1 3.85Å; A340-I344 HydrophobicContact CB-CG1 4.32Å; A340-I344 VanDerWaalsContact O-CG1 3.32Å; A340-I344 WeakPolarHBondContact O-CG1 3.42Å; A340-I344 PolarHBondContact O-N 3.44Å
341	I	98.6	Very high	98.2	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.005	23%	0.229	C	C	.	.	H	α-helix	trans	-61.1	-32.9	-166.4	-153	163.5	0	0	0	113.4	V135 V136 M303 W305 V337 Q338 I344 L345	V135-I341 HydrophobicContact CB-CG2 4.38Å; V135-I341 HydrophobicContact CG1-CG2 4.37Å; V136-I341 HydrophobicContact CG2-CD1 3.51Å; V136-I341 HydrophobicContact CG2-CG1 4.25Å; M303-I341 HydrophobicContact CG-CD1 4.22Å; M303-I341 HydrophobicContact SD-CD1 4.49Å; W305-I341 HydrophobicContact CE3-CD1 4.28Å; W305-I341 HydrophobicContact CZ3-CD1 4.02Å; V337-I341 PolarHBondContact O-N 3.18Å; Q338-I341 WeakPolarHBondContact O-CB 3.35Å; Q338-I341 WeakPolarHBondContact O-CG2 3.22Å; Q338-I341 PolarHBondContact O-N 2.93Å; I341-I344 PolarHBondContact O-N 3.01Å; I341-L345 HydrophobicContact CG1-CD1 4.04Å; I341-L345 HydrophobicContact CG1-CG 4.21Å; I341-L345 WeakPolarHBondContact O-CB 3.44Å; I341-L345 WeakPolarHBondContact O-CG 3.43Å; I341-L345 PolarHBondContact O-N 3Å
342	E	98.6	Very high	98.3	Very high	73 Å²	73	36.9 Å²	36.9	34%	0.341	21%	0.206	S	C	.	.	H	α-helix	trans	-59.1	-54.9	177.2	-172.6	174.3	-159.1	0	0	111.4	K131 V135 A340 L345 N346	K131-E342 WeakPolarHBondContact CE-OE2 3.47Å; K131-E342 IonicContact NZ-OE1 3.41Å; K131-E342 IonicContact NZ-OE2 3.94Å; K131-E342 PolarHBondContact NZ-OE2 3.3Å; V135-E342 HydrophobicContact CG1-CB 4.33Å; V135-E342 HydrophobicContact CG2-CB 3.86Å; V135-E342 HydrophobicContact CG2-CG 3.85Å; A340-E342 VanDerWaalsContact C-N 3.26Å; A340-E342 PolarHBondContact O-N 3.11Å; A340-E342 VanDerWaalsContact O-N 3.17Å; E342-L345 PolarHBondContact O-N 3.21Å; E342-N346 VanDerWaalsContact O-CB 3.3Å; E342-N346 WeakPolarHBondContact O-CB 3.43Å; E342-N346 PolarHBondContact O-N 2.86Å; E342-N346 PolarHBondContact O-ND2 3.19Å
343	S	98.6	Very high	98.5	Very high	41 Å²	41	37.2 Å²	37.2	29%	0.287	20%	0.203	S	C	.	.	H	α-helix	trans	-69.3	-34.9	178.7	-73.6	0	0	0	0	112.5	A340 L345 D347	A340-S343 PolarHBondContact O-N 3.23Å; S343-L345 PolarHBondContact O-N 3.37Å; S343-D347 VanDerWaalsContact CA-OD2 3.24Å; S343-D347 WeakPolarHBondContact CA-OD2 3.26Å; S343-D347 WeakPolarHBondContact CB-OD2 3.42Å; S343-D347 WeakPolarHBondContact O-CA 3.37Å; S343-D347 WeakPolarHBondContact O-CB 3.48Å; S343-D347 PolarHBondContact O-N 3.48Å; S343-D347 PolarHBondContact OG-OD2 3.28Å
344	I	98.8	Very high	98.6	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-60.1	-47.8	175.3	-66.6	171.2	0	0	0	110.8	V107 A110 L111 L292 W296 W301 A340 I341 T348	V107-I344 HydrophobicContact CG1-CD1 4.31Å; V107-I344 HydrophobicContact CG1-CG1 4.12Å; V107-I344 HydrophobicContact CG1-CG2 4.27Å; V107-I344 HydrophobicContact CG2-CG2 4.4Å; A110-I344 HydrophobicContact CB-CG1 3.83Å; L111-I344 HydrophobicContact CD1-CD1 3.77Å; L292-I344 HydrophobicContact CD1-CD1 3.93Å; L292-I344 HydrophobicContact CD1-CG2 4.23Å; L292-I344 HydrophobicContact CD2-CG2 3.73Å; W296-I344 HydrophobicContact CD2-CG2 4.46Å; W296-I344 HydrophobicContact CG-CG2 4.13Å; W296-I344 PolarHBondContact NE1-O 2.98Å; W301-I344 HydrophobicContact CZ3-CD1 4.23Å; A340-I344 HydrophobicContact CB-CD1 3.85Å; A340-I344 HydrophobicContact CB-CG1 4.32Å; A340-I344 VanDerWaalsContact O-CG1 3.32Å; A340-I344 WeakPolarHBondContact O-CG1 3.42Å; A340-I344 PolarHBondContact O-N 3.44Å; I341-I344 PolarHBondContact O-N 3.01Å; I344-T348 WeakPolarHBondContact O-CB 3.43Å; I344-T348 PolarHBondContact O-OG1 3.49Å
345	L	98.7	Very high	98.5	Very high	5 Å²	5	48 Å²	48	3%	0.026	23%	0.233	C	C	.	.	H	α-helix	trans	-75.3	-40.2	-176	-66.7	-176.8	0	0	0	112.3	V135 V136 F139 L292 W296 W305 I341 E342 S343	V135-L345 HydrophobicContact CG1-CB 4.35Å; V135-L345 HydrophobicContact CG1-CD1 3.91Å; V136-L345 HydrophobicContact CG2-CD1 3.98Å; F139-L345 HydrophobicContact CB-CD1 4.17Å; F139-L345 HydrophobicContact CD2-CB 3.8Å; F139-L345 HydrophobicContact CE2-CB 4.09Å; F139-L345 WeakPolarHBondContact CE2-O 3.3Å; F139-L345 HydrophobicContact CG-CB 4.33Å; F139-L345 HydrophobicContact CG-CD1 4.22Å; L292-L345 HydrophobicContact CD2-CD2 4.19Å; W296-L345 HydrophobicContact CH2-CD2 3.47Å; W296-L345 VanDerWaalsContact CH2-CD2 3.47Å; W296-L345 HydrophobicContact CZ2-CD2 3.32Å; W296-L345 HydrophobicContact CZ3-CD2 4.31Å; W305-L345 HydrophobicContact CH2-CD2 4.46Å; I341-L345 HydrophobicContact CG1-CD1 4.04Å; I341-L345 HydrophobicContact CG1-CG 4.21Å; I341-L345 WeakPolarHBondContact O-CB 3.44Å; I341-L345 WeakPolarHBondContact O-CG 3.43Å; I341-L345 PolarHBondContact O-N 3Å; E342-L345 PolarHBondContact O-N 3.21Å; S343-L345 PolarHBondContact O-N 3.37Å
346	N	97.8	Very high	98.5	Very high	97 Å²	97	47.2 Å²	47.2	52%	0.519	23%	0.228	S	C	.	.	H	α-helix	trans	-91.8	-30.8	-171.9	-64	-22.8	0	0	0	114.1	E342	E342-N346 VanDerWaalsContact O-CB 3.3Å; E342-N346 WeakPolarHBondContact O-CB 3.43Å; E342-N346 PolarHBondContact O-N 2.86Å; E342-N346 PolarHBondContact O-ND2 3.19Å
347	D	98.3	Very high	98.5	Very high	88 Å²	88	46.9 Å²	46.9	47%	0.471	23%	0.226	S	C	.	.	H	α-helix	trans	-104.8	-8.9	-169.6	-52.8	-35.9	0	0	0	113.5	S343	S343-D347 VanDerWaalsContact CA-OD2 3.24Å; S343-D347 WeakPolarHBondContact CA-OD2 3.26Å; S343-D347 WeakPolarHBondContact CB-OD2 3.42Å; S343-D347 WeakPolarHBondContact O-CA 3.37Å; S343-D347 WeakPolarHBondContact O-CB 3.48Å; S343-D347 PolarHBondContact O-N 3.48Å; S343-D347 PolarHBondContact OG-OD2 3.28Å
348	T	98.7	Very high	98.5	Very high	6 Å²	6	49 Å²	49	4%	0.037	24%	0.242	C	C	.	.	S	Bend	trans	-66.8	122.8	175.4	-62.2	0	0	0	0	109.8	D104 V107 I344 F352 Y353	D104-T348 HydrophobicContact CB-CG2 4.29Å; V107-T348 HydrophobicContact CG2-CG2 4.15Å; V107-T348 VanDerWaalsContact CG2-OG1 3.23Å; V107-T348 WeakPolarHBondContact CG2-OG1 3.4Å; I344-T348 WeakPolarHBondContact O-CB 3.43Å; I344-T348 PolarHBondContact O-OG1 3.49Å; T348-F352 HydrophobicContact CG2-CB 4.24Å; T348-F352 HydrophobicContact CG2-CD1 3.55Å; T348-F352 HydrophobicContact CG2-CE1 4.25Å; T348-F352 HydrophobicContact CG2-CG 4.15Å; T348-Y353 VanDerWaalsContact CB-OH 3.27Å; T348-Y353 WeakPolarHBondContact CB-OH 3.41Å; T348-Y353 HydrophobicContact CG2-CE1 3.97Å; T348-Y353 HydrophobicContact CG2-CE2 4.07Å; T348-Y353 WeakPolarHBondContact CG2-OH 3.13Å
349	P	98.4	Very high	98.5	Very high	49 Å²	49	51.4 Å²	51.4	32%	0.318	25%	0.252	S	S	.	.			trans	-68.2	144.8	-172.9	27.1	-34.7	0	0	0	112.2	D104 E351 F352	D104-P349 WeakPolarHBondContact OD1-CD 3.42Å; D104-P349 WeakPolarHBondContact OD2-CG 3.43Å; P349-E351 PolarHBondContact O-N 2.9Å; P349-E351 VanDerWaalsContact O-N 3.15Å; P349-F352 HydrophobicContact CG-CB 4.2Å; P349-F352 WeakPolarHBondContact O-CB 3.49Å; P349-F352 PolarHBondContact O-N 3.33Å
350	Q	98.1	Very high	98.5	Very high	144 Å²	144	50.9 Å²	50.9	67%	0.673	25%	0.247	S	C	*	.	H	α-helix	trans	-58.6	-30.4	176.8	-69.4	-60.9	-38.5	0	0	113.2	F352 Y353 Y354	Q350-F352 VanDerWaalsContact C-N 3.26Å; Q350-F352 PolarHBondContact O-N 2.86Å; Q350-Y353 PolarHBondContact O-N 2.95Å; Q350-Y354 PolarHBondContact O-N 2.88Å
351	E	98.4	Very high	98.5	Very high	89 Å²	89	53.5 Å²	53.5	42%	0.416	26%	0.258	S	S	.	.	H	α-helix	trans	-58.7	-35.1	176	-177.2	62.1	-168.8	0	0	112.7	P349 Y354 R355	P349-E351 PolarHBondContact O-N 2.9Å; P349-E351 VanDerWaalsContact O-N 3.15Å; E351-Y354 PolarHBondContact O-N 2.65Å; E351-R355 HydrophobicContact CG-CG 4.35Å; E351-R355 WeakPolarHBondContact O-CB 3.3Å; E351-R355 VanDerWaalsContact O-CG 3.29Å; E351-R355 WeakPolarHBondContact O-CG 3.46Å; E351-R355 PolarHBondContact O-N 3.4Å; E351-R355 WeakPolarHBondContact OE1-CG 3.22Å; E351-R355 IonicContact OE1-CZ 2.92Å; E351-R355 IonicContact OE1-NE 2.66Å; E351-R355 PolarHBondContact OE1-NE 3.12Å; E351-R355 IonicContact OE1-NH2 3.49Å; E351-R355 PolarHBondContact OE1-NH2 2.85Å; E351-R355 VanDerWaalsContact OE1-NH2 3.16Å
352	F	98.8	Very high	98.5	Very high	15 Å²	15	55.5 Å²	55.5	7%	0.066	27%	0.272	C	S	.	.	H	α-helix	trans	-61.8	-47.5	176.2	164	-103.3	0	0	0	111.2	D104 R295 L297 T348 P349 Q350 T356	D104-F352 HydrophobicContact CB-CB 4.11Å; D104-F352 HydrophobicContact CB-CD1 4.38Å; D104-F352 HydrophobicContact CB-CD2 3.69Å; D104-F352 HydrophobicContact CB-CE2 4.18Å; D104-F352 HydrophobicContact CB-CG 3.79Å; R295-F352 WeakPolarHBondContact O-CE1 3.14Å; L297-F352 HydrophobicContact CD1-CE2 3.85Å; L297-F352 HydrophobicContact CD1-CZ 3.77Å; L297-F352 HydrophobicContact CG-CZ 4.09Å; T348-F352 HydrophobicContact CG2-CB 4.24Å; T348-F352 HydrophobicContact CG2-CD1 3.55Å; T348-F352 HydrophobicContact CG2-CE1 4.25Å; T348-F352 HydrophobicContact CG2-CG 4.15Å; P349-F352 HydrophobicContact CG-CB 4.2Å; P349-F352 WeakPolarHBondContact O-CB 3.49Å; P349-F352 PolarHBondContact O-N 3.33Å; Q350-F352 VanDerWaalsContact C-N 3.26Å; Q350-F352 PolarHBondContact O-N 2.86Å; F352-T356 WeakPolarHBondContact O-CB 3.32Å; F352-T356 PolarHBondContact O-N 2.97Å; F352-T356 VanDerWaalsContact O-N 3.08Å; F352-T356 PolarHBondContact O-OG1 3.4Å
353	Y	98.4	Very high	98.4	Very high	18 Å²	18	52 Å²	52	7%	0.071	26%	0.256	C	S	.	.	H	α-helix	trans	-65.3	-45.4	177.4	-50.3	-60.9	0	0	0	110.7	R295 W296 T348 Q350 R355 T356 I357	R295-Y353 HydrophobicContact CG-CD1 4.02Å; R295-Y353 HydrophobicContact CG-CE1 4.03Å; W296-Y353 AromaticContact CE2-CE1 3.98Å; W296-Y353 HydrophobicContact CZ2-CE1 4.25Å; W296-Y353 WeakPolarHBondContact CZ2-OH 3.39Å; W296-Y353 AromaticContact NE1-CE1 3.88Å; W296-Y353 AromaticContact NE1-CZ 3.9Å; W296-Y353 PolarHBondContact NE1-OH 3.22Å; T348-Y353 VanDerWaalsContact CB-OH 3.27Å; T348-Y353 WeakPolarHBondContact CB-OH 3.41Å; T348-Y353 HydrophobicContact CG2-CE1 3.97Å; T348-Y353 HydrophobicContact CG2-CE2 4.07Å; T348-Y353 WeakPolarHBondContact CG2-OH 3.13Å; Q350-Y353 PolarHBondContact O-N 2.95Å; Y353-R355 PolarHBondContact O-N 3.45Å; Y353-T356 PolarHBondContact O-N 3.1Å; Y353-I357 VanDerWaalsContact O-CG1 3.3Å; Y353-I357 WeakPolarHBondContact O-CG1 3.28Å; Y353-I357 PolarHBondContact O-N 3Å
354	Y	98.1	Very high	98.4	Very high	143 Å²	143	50.1 Å²	50.1	56%	0.561	24%	0.242	S	C	*	.	H	α-helix	trans	-58	-48	178.7	171.4	-103.8	0	0	0	112.4	Q350 E351 T356 I357 S358	Q350-Y354 PolarHBondContact O-N 2.88Å; E351-Y354 PolarHBondContact O-N 2.65Å; Y354-T356 PolarHBondContact O-N 3.3Å; Y354-I357 PolarHBondContact O-N 3.22Å; Y354-S358 VanDerWaalsContact O-CB 3.24Å; Y354-S358 WeakPolarHBondContact O-CB 3.39Å; Y354-S358 PolarHBondContact O-N 2.74Å
355	R	98.3	Very high	98.4	Very high	162 Å²	162	54.3 Å²	54.3	61%	0.611	26%	0.262	S	S	*	.	H	α-helix	trans	-60.7	-44.7	177.3	-74.6	179.6	-176.1	-175.8	5.4	112.1	E351 Y353 I357 S358 F359	E351-R355 HydrophobicContact CG-CG 4.35Å; E351-R355 WeakPolarHBondContact O-CB 3.3Å; E351-R355 VanDerWaalsContact O-CG 3.29Å; E351-R355 WeakPolarHBondContact O-CG 3.46Å; E351-R355 PolarHBondContact O-N 3.4Å; E351-R355 WeakPolarHBondContact OE1-CG 3.22Å; E351-R355 IonicContact OE1-CZ 2.92Å; E351-R355 IonicContact OE1-NE 2.66Å; E351-R355 PolarHBondContact OE1-NE 3.12Å; E351-R355 IonicContact OE1-NH2 3.49Å; E351-R355 PolarHBondContact OE1-NH2 2.85Å; E351-R355 VanDerWaalsContact OE1-NH2 3.16Å; Y353-R355 PolarHBondContact O-N 3.45Å; R355-I357 PolarHBondContact O-N 3.43Å; R355-S358 PolarHBondContact O-N 3.28Å; R355-F359 WeakPolarHBondContact O-CB 3.45Å; R355-F359 PolarHBondContact O-N 2.95Å
356	T	98.7	Very high	98.4	Very high	10 Å²	10	55.9 Å²	55.9	6%	0.061	27%	0.27	C	S	.	.	H	α-helix	trans	-59.1	-48.5	178	-57.3	0	0	0	0	110.7	M267 L297 F352 Y353 Y354 F359 L360	M267-T356 HydrophobicContact CE-CG2 4.34Å; L297-T356 HydrophobicContact CD1-CG2 4.27Å; L297-T356 HydrophobicContact CD2-CG2 4.39Å; F352-T356 WeakPolarHBondContact O-CB 3.32Å; F352-T356 PolarHBondContact O-N 2.97Å; F352-T356 VanDerWaalsContact O-N 3.08Å; F352-T356 PolarHBondContact O-OG1 3.4Å; Y353-T356 PolarHBondContact O-N 3.1Å; Y354-T356 PolarHBondContact O-N 3.3Å; T356-F359 PolarHBondContact O-N 3.28Å; T356-L360 HydrophobicContact CG2-CD1 4.04Å; T356-L360 VanDerWaalsContact O-CG 3.25Å; T356-L360 WeakPolarHBondContact O-CG 3.47Å; T356-L360 PolarHBondContact O-N 3.45Å
357	I	98.6	Very high	98.4	Very high	21 Å²	21	51.2 Å²	51.2	11%	0.108	25%	0.245	C	C	.	.	H	α-helix	trans	-69.2	-39.7	-179.6	-64.1	-56.4	0	0	0	112.4	M267 V268 F269 Y353 Y354 R355 F359 L360 K361	M267-I357 HydrophobicContact CB-CD1 3.98Å; M267-I357 HydrophobicContact CE-CD1 4.38Å; M267-I357 HydrophobicContact CG-CD1 4.49Å; V268-I357 VanDerWaalsContact O-CG2 3.32Å; V268-I357 WeakPolarHBondContact O-CG2 3.34Å; F269-I357 HydrophobicContact CD1-CG2 4.13Å; Y353-I357 VanDerWaalsContact O-CG1 3.3Å; Y353-I357 WeakPolarHBondContact O-CG1 3.28Å; Y353-I357 PolarHBondContact O-N 3Å; Y354-I357 PolarHBondContact O-N 3.22Å; R355-I357 PolarHBondContact O-N 3.43Å; I357-F359 VanDerWaalsContact C-N 3.35Å; I357-L360 HydrophobicContact CD1-CD1 4.45Å; I357-L360 PolarHBondContact O-N 2.88Å; I357-K361 VanDerWaalsContact O-CB 3.32Å; I357-K361 WeakPolarHBondContact O-CB 3.49Å; I357-K361 PolarHBondContact O-N 3.37Å
358	S	98.4	Very high	98.5	Very high	52 Å²	52	50 Å²	50	36%	0.364	24%	0.236	S	C	.	.	H	α-helix	trans	-60.5	-45.3	175.8	-173	0	0	0	0	111.3	Y354 R355 K361 S362	Y354-S358 VanDerWaalsContact O-CB 3.24Å; Y354-S358 WeakPolarHBondContact O-CB 3.39Å; Y354-S358 PolarHBondContact O-N 2.74Å; R355-S358 PolarHBondContact O-N 3.28Å; S358-K361 PolarHBondContact O-N 3.4Å; S358-S362 WeakPolarHBondContact O-CB 3.43Å; S358-S362 PolarHBondContact O-N 3.42Å
359	F	98.6	Very high	98.4	Very high	52 Å²	52	53 Å²	53	23%	0.228	26%	0.257	C	S	.	.	H	α-helix	trans	-60.2	-51.9	174.9	174.9	-92.9	0	0	0	111.9	N100 L101 R355 T356 I357 K361 S362 N363 V436	N100-F359 VanDerWaalsContact ND2-CZ 3.25Å; N100-F359 WeakPolarHBondContact ND2-CZ 3.42Å; L101-F359 HydrophobicContact CD1-CD1 4.14Å; L101-F359 HydrophobicContact CD1-CE1 3.94Å; L101-F359 HydrophobicContact CD2-CD1 3.75Å; L101-F359 HydrophobicContact CD2-CE1 4.14Å; L101-F359 HydrophobicContact CD2-CG 4.27Å; L101-F359 HydrophobicContact CG-CD1 4.25Å; L101-F359 HydrophobicContact CG-CE1 4.15Å; R355-F359 WeakPolarHBondContact O-CB 3.45Å; R355-F359 PolarHBondContact O-N 2.95Å; T356-F359 PolarHBondContact O-N 3.28Å; I357-F359 VanDerWaalsContact C-N 3.35Å; F359-K361 VanDerWaalsContact C-N 3.3Å; F359-K361 PolarHBondContact O-N 3.02Å; F359-S362 PolarHBondContact O-N 2.82Å; F359-N363 WeakPolarHBondContact O-CB 3.13Å; F359-N363 PolarHBondContact O-N 2.93Å; F359-V436 WeakPolarHBondContact CZ-O 3.43Å
360	L	98.7	Very high	98.4	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-61	-39.7	-179.6	-68.5	170.3	0	0	0	111.9	L101 M267 F269 T356 I357 S364 M386 V434 T435	L101-L360 HydrophobicContact CD1-CD2 4.47Å; M267-L360 HydrophobicContact CE-CD1 3.78Å; F269-L360 HydrophobicContact CE1-CB 3.71Å; F269-L360 HydrophobicContact CZ-CB 4.05Å; T356-L360 HydrophobicContact CG2-CD1 4.04Å; T356-L360 VanDerWaalsContact O-CG 3.25Å; T356-L360 WeakPolarHBondContact O-CG 3.47Å; T356-L360 PolarHBondContact O-N 3.45Å; I357-L360 HydrophobicContact CD1-CD1 4.45Å; I357-L360 PolarHBondContact O-N 2.88Å; L360-S364 VanDerWaalsContact O-CB 3.3Å; L360-S364 WeakPolarHBondContact O-CB 3.21Å; L360-S364 PolarHBondContact O-N 3.27Å; L360-S364 PolarHBondContact O-OG 3.2Å; L360-M386 HydrophobicContact CD1-CG 4.29Å; L360-M386 HydrophobicContact CD2-CG 4.37Å; L360-V434 HydrophobicContact CD2-CG2 4.05Å; L360-T435 HydrophobicContact CD2-CG2 3.78Å
361	K	98.4	Very high	98.5	Very high	57 Å²	57	46.8 Å²	46.8	25%	0.248	22%	0.224	C	C	.	.	H	α-helix	trans	-62.1	-53.8	174.7	174.9	177	177.3	-69.9	0	111.2	F269 P270 I357 S358 F359 N363 S364 E365	F269-K361 HydrophobicContact CB-CB 4.38Å; F269-K361 HydrophobicContact CB-CD 4.36Å; F269-K361 HydrophobicContact CB-CG 4.45Å; F269-K361 HydrophobicContact CD1-CB 4.11Å; F269-K361 HydrophobicContact CD2-CB 4.22Å; F269-K361 HydrophobicContact CD2-CG 4.42Å; F269-K361 HydrophobicContact CE1-CB 4.49Å; F269-K361 HydrophobicContact CG-CB 3.98Å; F269-K361 HydrophobicContact CG-CG 4.39Å; P270-K361 HydrophobicContact CB-CD 4.47Å; P270-K361 HydrophobicContact CG-CD 4.07Å; I357-K361 VanDerWaalsContact O-CB 3.32Å; I357-K361 WeakPolarHBondContact O-CB 3.49Å; I357-K361 PolarHBondContact O-N 3.37Å; S358-K361 PolarHBondContact O-N 3.4Å; F359-K361 VanDerWaalsContact C-N 3.3Å; F359-K361 PolarHBondContact O-N 3.02Å; K361-N363 VanDerWaalsContact C-N 3.29Å; K361-N363 PolarHBondContact O-N 3.49Å; K361-S364 WeakPolarHBondContact O-CB 3.44Å; K361-S364 PolarHBondContact O-N 3.47Å; K361-S364 VanDerWaalsContact O-N 3.12Å; K361-E365 WeakPolarHBondContact CE-OE1 3.25Å; K361-E365 HydrophobicContact CG-CG 4.37Å; K361-E365 IonicContact NZ-OE1 3.21Å; K361-E365 PolarHBondContact NZ-OE1 3.37Å; K361-E365 IonicContact NZ-OE2 3.76Å; K361-E365 PolarHBondContact NZ-OE2 2.62Å; K361-E365 WeakPolarHBondContact O-CG 3.3Å; K361-E365 PolarHBondContact O-N 2.8Å
362	S	98.4	Very high	98.5	Very high	43 Å²	43	45.2 Å²	45.2	30%	0.301	22%	0.222	S	C	.	.	H	α-helix	trans	-54.1	-48.8	-179.2	-171.3	0	0	0	0	110.9	S358 F359 S364 E365 I366	S358-S362 WeakPolarHBondContact O-CB 3.43Å; S358-S362 PolarHBondContact O-N 3.42Å; F359-S362 PolarHBondContact O-N 2.82Å; S362-S364 VanDerWaalsContact C-N 3.33Å; S362-S364 PolarHBondContact O-N 3.08Å; S362-E365 PolarHBondContact O-N 3.03Å; S362-I366 WeakPolarHBondContact O-CG1 3.41Å; S362-I366 PolarHBondContact O-N 2.88Å
363	N	98.3	Very high	98.4	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-68.3	-32.9	-178.3	-148.3	33.2	0	0	0	112.7	F359 K361 C367 V434 V436 M441	F359-N363 WeakPolarHBondContact O-CB 3.13Å; F359-N363 PolarHBondContact O-N 2.93Å; K361-N363 VanDerWaalsContact C-N 3.29Å; K361-N363 PolarHBondContact O-N 3.49Å; N363-C367 WeakPolarHBondContact O-CB 3.36Å; N363-C367 PolarHBondContact O-N 2.9Å; N363-V434 HydrophobicContact CB-CB 4.43Å; N363-V434 VanDerWaalsContact ND2-C 3.33Å; N363-V434 PolarHBondContact ND2-O 3.34Å; N363-V436 PolarHBondContact ND2-O 3.47Å; N363-M441 WeakPolarHBondContact OD1-CB 3.45Å; N363-M441 WeakPolarHBondContact OD1-CG 3.45Å
364	S	98.2	Very high	98.5	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.007	24%	0.24	C	C	.	.	H	α-helix	trans	-67.5	-41.6	172.9	-58.7	0	0	0	0	112.2	F269 L360 K361 S362 C367 F368 V434	F269-S364 WeakPolarHBondContact CE2-OG 3.43Å; F269-S364 WeakPolarHBondContact CZ-OG 3.48Å; L360-S364 VanDerWaalsContact O-CB 3.3Å; L360-S364 WeakPolarHBondContact O-CB 3.21Å; L360-S364 PolarHBondContact O-N 3.27Å; L360-S364 PolarHBondContact O-OG 3.2Å; K361-S364 WeakPolarHBondContact O-CB 3.44Å; K361-S364 PolarHBondContact O-N 3.47Å; K361-S364 VanDerWaalsContact O-N 3.12Å; S362-S364 VanDerWaalsContact C-N 3.33Å; S362-S364 PolarHBondContact O-N 3.08Å; S364-C367 PolarHBondContact O-N 3.45Å; S364-F368 WeakPolarHBondContact O-CB 3.32Å; S364-F368 PolarHBondContact O-N 2.9Å; S364-V434 WeakPolarHBondContact OG-CG2 3.36Å
365	E	98.3	Very high	98.4	Very high	88 Å²	88	44.1 Å²	44.1	41%	0.411	24%	0.235	S	C	.	.	H	α-helix	trans	-66.4	-41.4	177.8	-73.7	175.7	149.9	0	0	111.4	K361 S362 S369	K361-E365 WeakPolarHBondContact CE-OE1 3.25Å; K361-E365 HydrophobicContact CG-CG 4.37Å; K361-E365 IonicContact NZ-OE1 3.21Å; K361-E365 PolarHBondContact NZ-OE1 3.37Å; K361-E365 IonicContact NZ-OE2 3.76Å; K361-E365 PolarHBondContact NZ-OE2 2.62Å; K361-E365 WeakPolarHBondContact O-CG 3.3Å; K361-E365 PolarHBondContact O-N 2.8Å; S362-E365 PolarHBondContact O-N 3.03Å; E365-S369 WeakPolarHBondContact O-CB 3.35Å; E365-S369 PolarHBondContact O-N 2.96Å
366	I	98.5	Very high	98.4	Very high	37 Å²	37	36.6 Å²	36.6	19%	0.19	21%	0.207	C	C	.	.	H	α-helix	trans	-58.9	-54.9	172.4	-69.5	166.4	0	0	0	109.9	S362 F368 S369 E370 E438 M441 V442	S362-I366 WeakPolarHBondContact O-CG1 3.41Å; S362-I366 PolarHBondContact O-N 2.88Å; I366-F368 PolarHBondContact O-N 3.42Å; I366-S369 PolarHBondContact O-N 3.32Å; I366-E370 HydrophobicContact CG2-CG 4.27Å; I366-E370 VanDerWaalsContact O-CB 3.31Å; I366-E370 WeakPolarHBondContact O-CB 3.46Å; I366-E370 VanDerWaalsContact O-CG 3.24Å; I366-E370 WeakPolarHBondContact O-CG 3.32Å; I366-E370 PolarHBondContact O-N 3.04Å; I366-E438 HydrophobicContact CD1-CG 3.47Å; I366-E438 VanDerWaalsContact CD1-CG 3.47Å; I366-M441 HydrophobicContact CG2-CG 4.19Å; I366-V442 HydrophobicContact CG2-CG2 3.87Å
367	C	98.6	Very high	98.4	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-59.7	-46.1	-178.1	-169.9	0	0	0	0	112.1	N363 S364 L371 L388 M441	N363-C367 WeakPolarHBondContact O-CB 3.36Å; N363-C367 PolarHBondContact O-N 2.9Å; S364-C367 PolarHBondContact O-N 3.45Å; C367-L371 WeakPolarHBondContact O-CB 3.47Å; C367-L371 VanDerWaalsContact O-CG 3.28Å; C367-L371 WeakPolarHBondContact O-CG 3.44Å; C367-L371 PolarHBondContact O-N 3.41Å; C367-L388 HydrophobicContact CB-CD2 3.67Å; C367-M441 HydrophobicContact CB-CE 4.05Å; C367-M441 HydrophobicContact CB-CG 4.11Å; C367-M441 HydrophobicContact CB-SD 3.61Å; C367-M441 VanDerWaalsContact SG-SD 3.63Å
368	F	98.7	Very high	98.4	Very high	62 Å²	62	38.8 Å²	38.8	27%	0.272	22%	0.222	S	C	.	.	H	α-helix	trans	-61.5	-50.6	177.2	175	-96.8	0	0	0	111.8	S364 I366 E370 S372 P379 L381	S364-F368 WeakPolarHBondContact O-CB 3.32Å; S364-F368 PolarHBondContact O-N 2.9Å; I366-F368 PolarHBondContact O-N 3.42Å; F368-E370 PolarHBondContact O-N 3.15Å; F368-S372 VanDerWaalsContact O-CB 3.22Å; F368-S372 WeakPolarHBondContact O-CB 3.35Å; F368-S372 PolarHBondContact O-N 2.99Å; F368-S372 PolarHBondContact O-OG 2.77Å; F368-P379 HydrophobicContact CD2-CB 3.98Å; F368-P379 HydrophobicContact CD2-CG 3.98Å; F368-P379 HydrophobicContact CE2-CB 4.46Å; F368-P379 HydrophobicContact CE2-CG 4.18Å; F368-P379 WeakPolarHBondContact CE2-O 3.2Å; F368-L381 HydrophobicContact CB-CD1 3.76Å; F368-L381 HydrophobicContact CD1-CD1 3.74Å; F368-L381 HydrophobicContact CD2-CB 3.75Å; F368-L381 HydrophobicContact CD2-CD1 4.01Å; F368-L381 HydrophobicContact CD2-CG 4.49Å; F368-L381 HydrophobicContact CE1-CB 4.49Å; F368-L381 HydrophobicContact CE1-CD1 4.35Å; F368-L381 HydrophobicContact CE2-CB 3.72Å; F368-L381 HydrophobicContact CG-CB 4.17Å; F368-L381 HydrophobicContact CG-CD1 3.54Å; F368-L381 HydrophobicContact CG-CG 4.44Å; F368-L381 HydrophobicContact CZ-CB 4.11Å
369	S	98.5	Very high	98.4	Very high	69 Å²	69	36.9 Å²	36.9	48%	0.483	21%	0.208	S	C	.	.	H	α-helix	trans	-61.4	-46.5	-178.4	-178.6	0	0	0	0	111.4	E365 I366 T373	E365-S369 WeakPolarHBondContact O-CB 3.35Å; E365-S369 PolarHBondContact O-N 2.96Å; I366-S369 PolarHBondContact O-N 3.32Å; S369-T373 WeakPolarHBondContact O-CG2 3.27Å
370	E	98.4	Very high	98.4	Very high	63 Å²	63	35.3 Å²	35.3	29%	0.294	20%	0.203	S	C	.	.	H	α-helix	trans	-64.5	-50.7	-179.1	-72	-65.8	127.3	0	0	111.6	I366 F368 S372 T373 C445 R449	I366-E370 HydrophobicContact CG2-CG 4.27Å; I366-E370 VanDerWaalsContact O-CB 3.31Å; I366-E370 WeakPolarHBondContact O-CB 3.46Å; I366-E370 VanDerWaalsContact O-CG 3.24Å; I366-E370 WeakPolarHBondContact O-CG 3.32Å; I366-E370 PolarHBondContact O-N 3.04Å; F368-E370 PolarHBondContact O-N 3.15Å; E370-S372 VanDerWaalsContact C-N 3.33Å; E370-S372 PolarHBondContact O-N 3.48Å; E370-T373 PolarHBondContact O-N 2.99Å; E370-T373 PolarHBondContact O-OG1 3.42Å; E370-C445 HydrophobicContact CB-CB 3.69Å; E370-C445 HydrophobicContact CG-CB 4.13Å; E370-R449 IonicContact OE1-NH2 2.76Å; E370-R449 IonicContact OE2-CZ 2.67Å; E370-R449 IonicContact OE2-NH2 2.65Å; E370-R449 PolarHBondContact OE2-NH2 3.03Å
371	L	98.6	Very high	98.4	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-72.4	-25.5	-176.4	-62.2	-175.8	0	0	0	113.1	C367 T373 V374 L377 P379 V390 I432 C445 I448	C367-L371 WeakPolarHBondContact O-CB 3.47Å; C367-L371 VanDerWaalsContact O-CG 3.28Å; C367-L371 WeakPolarHBondContact O-CG 3.44Å; C367-L371 PolarHBondContact O-N 3.41Å; L371-T373 PolarHBondContact O-N 3.36Å; L371-V374 HydrophobicContact CD2-CG2 4.35Å; L371-V374 WeakPolarHBondContact O-CB 3.32Å; L371-V374 PolarHBondContact O-N 2.89Å; L371-V374 VanDerWaalsContact O-N 3.09Å; L371-L377 HydrophobicContact CD2-CD1 4.36Å; L371-P379 HydrophobicContact CB-CB 4.43Å; L371-P379 HydrophobicContact CB-CG 4.17Å; L371-V390 HydrophobicContact CD1-CG2 3.94Å; L371-I432 HydrophobicContact CD1-CD1 3.45Å; L371-I432 VanDerWaalsContact CD1-CD1 3.45Å; L371-C445 HydrophobicContact CD2-CB 4.28Å; L371-I448 HydrophobicContact CD2-CB 4.1Å; L371-I448 HydrophobicContact CD2-CD1 4.27Å; L371-I448 HydrophobicContact CD2-CG2 3.74Å
372	S	98.5	Very high	98.3	Very high	56 Å²	56	37.1 Å²	37.1	39%	0.392	22%	0.215	S	C	.	.	H	α-helix	trans	-64.6	-20.4	173.1	-62.8	0	0	0	0	112.8	F368 E370 V374 P379	F368-S372 VanDerWaalsContact O-CB 3.22Å; F368-S372 WeakPolarHBondContact O-CB 3.35Å; F368-S372 PolarHBondContact O-N 2.99Å; F368-S372 PolarHBondContact O-OG 2.77Å; E370-S372 VanDerWaalsContact C-N 3.33Å; E370-S372 PolarHBondContact O-N 3.48Å; S372-V374 VanDerWaalsContact C-N 3.34Å; S372-P379 VanDerWaalsContact OG-CG 3.25Å; S372-P379 WeakPolarHBondContact OG-CG 3.41Å
373	T	98.2	Very high	98.3	Very high	79 Å²	79	36 Å²	36	49%	0.485	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-4.4	176.2	69.6	0	0	0	0	113.6	S369 E370 L371 P375 R449	S369-T373 WeakPolarHBondContact O-CG2 3.27Å; E370-T373 PolarHBondContact O-N 2.99Å; E370-T373 PolarHBondContact O-OG1 3.42Å; L371-T373 PolarHBondContact O-N 3.36Å; T373-P375 WeakPolarHBondContact O-CD 3.23Å; T373-R449 VanDerWaalsContact OG1-CZ 3.3Å; T373-R449 PolarHBondContact OG1-NH1 2.83Å; T373-R449 PolarHBondContact OG1-NH2 3.28Å; T373-R449 VanDerWaalsContact OG1-NH2 3.13Å
374	V	98.6	Very high	98.3	Very high	4 Å²	4	36 Å²	36	2%	0.024	21%	0.208	C	C	.	.	S	Bend	trans	-92.3	114.8	-175.8	-176	0	0	0	0	109.5	L371 S372 G376 L377 R449 C452	L371-V374 HydrophobicContact CD2-CG2 4.35Å; L371-V374 WeakPolarHBondContact O-CB 3.32Å; L371-V374 PolarHBondContact O-N 2.89Å; L371-V374 VanDerWaalsContact O-N 3.09Å; S372-V374 VanDerWaalsContact C-N 3.34Å; V374-G376 PolarHBondContact O-N 3.02Å; V374-L377 HydrophobicContact CB-CB 4.37Å; V374-L377 HydrophobicContact CB-CD1 4Å; V374-L377 HydrophobicContact CB-CG 4.28Å; V374-L377 HydrophobicContact CG1-CD1 3.81Å; V374-L377 HydrophobicContact CG1-CG 4.02Å; V374-L377 PolarHBondContact O-N 3.3Å; V374-R449 HydrophobicContact CG2-CB 3.85Å; V374-R449 HydrophobicContact CG2-CG 4.01Å; V374-C452 HydrophobicContact CG1-CB 3.34Å
375	P	98.1	Very high	98.4	Very high	70 Å²	70	36 Å²	36	46%	0.455	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	135	176.3	-24.9	35.2	0	0	0	111.8	T373 Y456	T373-P375 WeakPolarHBondContact O-CD 3.23Å; P375-Y456 HydrophobicContact CB-CD1 4.43Å; P375-Y456 HydrophobicContact CB-CD2 3.88Å; P375-Y456 HydrophobicContact CB-CE1 4.22Å; P375-Y456 HydrophobicContact CB-CE2 3.64Å; P375-Y456 HydrophobicContact CB-CG 4.28Å; P375-Y456 WeakPolarHBondContact O-CD2 3.48Å
376	G	98	Very high	98.4	Very high	3 Å²	3	31.8 Å²	31.8	3%	0.031	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.6	-3.2	-178.3	0	0	0	0	0	115.1	V374 E393 F397	V374-G376 PolarHBondContact O-N 3.02Å; G376-E393 WeakPolarHBondContact CA-OE2 3.1Å; G376-E393 PolarHBondContact O-N 2.77Å; G376-F397 WeakPolarHBondContact O-CE2 3.3Å
377	L	98.7	Very high	98.4	Very high	10 Å²	10	30.2 Å²	30.2	5%	0.052	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	137.8	176.1	-60.9	-172.4	0	0	0	111.7	L371 V374 V390 G391 F406 F430 I448	L371-L377 HydrophobicContact CD2-CD1 4.36Å; V374-L377 HydrophobicContact CB-CB 4.37Å; V374-L377 HydrophobicContact CB-CD1 4Å; V374-L377 HydrophobicContact CB-CG 4.28Å; V374-L377 HydrophobicContact CG1-CD1 3.81Å; V374-L377 HydrophobicContact CG1-CG 4.02Å; V374-L377 PolarHBondContact O-N 3.3Å; L377-V390 HydrophobicContact CB-CG1 3.97Å; L377-V390 HydrophobicContact CD1-CG1 4.34Å; L377-V390 HydrophobicContact CD2-CG1 4.27Å; L377-V390 HydrophobicContact CG-CG1 4.43Å; L377-G391 WeakPolarHBondContact CA-O 3.4Å; L377-F406 HydrophobicContact CD2-CZ 4.22Å; L377-F430 HydrophobicContact CD1-CZ 4.41Å; L377-F430 HydrophobicContact CD2-CE1 4.03Å; L377-F430 HydrophobicContact CD2-CZ 4.42Å; L377-I448 HydrophobicContact CD1-CG2 3.73Å
378	T	98.5	Very high	98.4	Very high	67 Å²	67	30.2 Å²	30.2	41%	0.411	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	83.2	177.5	-37.9	0	0	0	0	110.3	G391 E393	T378-G391 PolarHBondContact N-O 2.86Å; T378-G391 PolarHBondContact O-N 3.47Å; T378-E393 PolarHBondContact OG1-OE1 2.95Å
379	P	98.6	Very high	98.4	Very high	12 Å²	12	27.2 Å²	27.2	8%	0.078	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	144.6	175.1	31.3	-35.9	0	0	0	111	F368 L371 S372 V390	F368-P379 HydrophobicContact CD2-CB 3.98Å; F368-P379 HydrophobicContact CD2-CG 3.98Å; F368-P379 HydrophobicContact CE2-CB 4.46Å; F368-P379 HydrophobicContact CE2-CG 4.18Å; F368-P379 WeakPolarHBondContact CE2-O 3.2Å; L371-P379 HydrophobicContact CB-CB 4.43Å; L371-P379 HydrophobicContact CB-CG 4.17Å; S372-P379 VanDerWaalsContact OG-CG 3.25Å; S372-P379 WeakPolarHBondContact OG-CG 3.41Å; P379-V390 HydrophobicContact CB-CG1 4.36Å; P379-V390 HydrophobicContact CB-CG2 4.2Å
380	V	98.4	Very high	98.4	Very high	20 Å²	20	24 Å²	24	12%	0.121	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	122.5	171.8	-174.4	0	0	0	0	108.8	P204 W208 P382 M389	P204-V380 HydrophobicContact CB-CG2 4.19Å; W208-V380 HydrophobicContact CZ2-CG2 3.95Å; W208-V380 VanDerWaalsContact NE1-CG1 3.33Å; V380-P382 WeakPolarHBondContact O-CD 3.18Å; V380-M389 PolarHBondContact N-O 3.33Å
381	L	97.2	Very high	98.4	Very high	89 Å²	89	21.1 Å²	21.1	47%	0.466	13%	0.132	S	C	.	.			trans	-63.9	122	-175.7	-176.3	70.4	0	0	0	110.7	F368	F368-L381 HydrophobicContact CB-CD1 3.76Å; F368-L381 HydrophobicContact CD1-CD1 3.74Å; F368-L381 HydrophobicContact CD2-CB 3.75Å; F368-L381 HydrophobicContact CD2-CD1 4.01Å; F368-L381 HydrophobicContact CD2-CG 4.49Å; F368-L381 HydrophobicContact CE1-CB 4.49Å; F368-L381 HydrophobicContact CE1-CD1 4.35Å; F368-L381 HydrophobicContact CE2-CB 3.72Å; F368-L381 HydrophobicContact CG-CB 4.17Å; F368-L381 HydrophobicContact CG-CD1 3.54Å; F368-L381 HydrophobicContact CG-CG 4.44Å; F368-L381 HydrophobicContact CZ-CB 4.11Å
382	P	97.9	Very high	98.4	Very high	6 Å²	6	21.6 Å²	21.6	4%	0.039	13%	0.134	C	C	.	.			trans	-77.6	152.4	175.8	33.8	-38.6	0	0	0	111.8	G236 F269 V380 Y387 L388	G236-P382 CarbonylContact O-C 3.58Å; G236-P382 WeakPolarHBondContact O-CA 3.22Å; G236-P382 WeakPolarHBondContact O-CB 3.39Å; F269-P382 HydrophobicContact CE2-CB 4.37Å; F269-P382 HydrophobicContact CE2-CG 4.07Å; V380-P382 WeakPolarHBondContact O-CD 3.18Å; P382-Y387 WeakPolarHBondContact CB-O 3.24Å; P382-L388 HydrophobicContact CB-CB 4.35Å; P382-L388 HydrophobicContact CG-CB 3.9Å
383	A	98.4	Very high	98.4	Very high	20 Å²	20	22 Å²	22	17%	0.165	13%	0.13	C	C	.	.			trans	-110.1	-3.1	174	0	0	0	0	0	112.9	G236 V238 F269 C272	G236-A383 PolarHBondContact O-N 2.86Å; V238-A383 HydrophobicContact CB-CB 3.88Å; V238-A383 VanDerWaalsContact CG2-C 3.46Å; V238-A383 HydrophobicContact CG2-CB 3.73Å; V238-A383 WeakPolarHBondContact CG2-O 3.24Å; F269-A383 WeakPolarHBondContact CB-O 3.29Å; F269-A383 PolarHBondContact N-O 2.81Å; C272-A383 HydrophobicContact CB-CB 4.38Å
384	G	98.5	Very high	98.4	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.113	C	C	.	.	B	Isolated β-bridge	trans	-179.2	-161.4	-179.8	0	0	0	0	0	113.5	G236 M267	G236-G384 WeakPolarHBondContact CA-O 3.44Å; G236-G384 PolarHBondContact O-N 2.8Å; M267-G384 CarbonylContact O-C 3.54Å; M267-G384 WeakPolarHBondContact O-CA 3.4Å
385	A	98.5	Very high	98.3	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	56	-138.1	-173	0	0	0	0	0	112.4	P231 Y264 M267 Y387	P231-A385 HydrophobicContact CB-CB 4.11Å; Y264-A385 HydrophobicContact CD1-CB 3.71Å; Y264-A385 HydrophobicContact CD2-CB 4.19Å; Y264-A385 HydrophobicContact CE1-CB 4.18Å; Y264-A385 HydrophobicContact CG-CB 3.73Å; M267-A385 PolarHBondContact O-N 3.31Å; A385-Y387 HydrophobicContact CB-CD2 4.46Å
386	M	98.7	Very high	98.3	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.005	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-139.5	16	-170.8	-64.3	176.8	177.4	0	0	112.7	P95 Y264 M267 K294 L297 L360 V433 V434 T435	P95-M386 HydrophobicContact CB-CE 4.18Å; P95-M386 HydrophobicContact CB-SD 4.1Å; P95-M386 HydrophobicContact CG-CE 4.11Å; P95-M386 HydrophobicContact CG-SD 4.2Å; Y264-M386 HydrophobicContact CE1-CG 4.1Å; Y264-M386 HydrophobicContact CE1-SD 4.07Å; M267-M386 HydrophobicContact CE-CE 3.38Å; M267-M386 HydrophobicContact CE-CG 4.44Å; M267-M386 HydrophobicContact SD-CE 3.86Å; K294-M386 HydrophobicContact CB-CE 3.97Å; K294-M386 HydrophobicContact CD-CE 4.34Å; K294-M386 HydrophobicContact CD-SD 4.21Å; K294-M386 WeakPolarHBondContact O-CE 3.34Å; L297-M386 HydrophobicContact CD2-CE 4.01Å; L360-M386 HydrophobicContact CD1-CG 4.29Å; L360-M386 HydrophobicContact CD2-CG 4.37Å; M386-V433 WeakPolarHBondContact O-CA 3.47Å; M386-V434 VanDerWaalsContact C-CG2 3.43Å; M386-V434 WeakPolarHBondContact O-CG2 3.5Å; M386-V434 PolarHBondContact O-N 3.37Å; M386-T435 HydrophobicContact CB-CG2 3.91Å; M386-T435 HydrophobicContact CG-CG2 4.02Å; M386-T435 HydrophobicContact SD-CG2 4.06Å
387	Y	98.6	Very high	98.3	Very high	3 Å²	3	23.2 Å²	23.2	1%	0.012	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	158.7	-169.3	-46.1	-70.5	0	0	0	111.8	G93 N233 P234 G236 Y264 P382 A385 R431 I432 V433	G93-Y387 PolarHBondContact O-OH 3.01Å; N233-Y387 HydrophobicContact CB-CD2 3.75Å; N233-Y387 HydrophobicContact CB-CE2 3.55Å; P234-Y387 WeakPolarHBondContact O-CB 3.17Å; G236-Y387 WeakPolarHBondContact CA-O 3.34Å; Y264-Y387 HydrophobicContact CE1-CE2 4.13Å; Y264-Y387 HydrophobicContact CE2-CE2 4.34Å; Y264-Y387 AromaticContact CZ-CE2 3.66Å; Y264-Y387 WeakPolarHBondContact OH-CE2 3.14Å; Y264-Y387 PolarHBondContact OH-OH 2.81Å; P382-Y387 WeakPolarHBondContact CB-O 3.24Å; A385-Y387 HydrophobicContact CB-CD2 4.46Å; Y387-R431 HydrophobicContact CD1-CG 4.36Å; Y387-R431 HydrophobicContact CG-CG 4.44Å; Y387-I432 VanDerWaalsContact CA-O 3.3Å; Y387-I432 WeakPolarHBondContact CA-O 3.44Å; Y387-V433 HydrophobicContact CD1-CB 4.3Å; Y387-V433 HydrophobicContact CD1-CG1 3.75Å; Y387-V433 HydrophobicContact CE1-CB 4.42Å; Y387-V433 HydrophobicContact CE1-CG1 3.69Å
388	L	98.1	Very high	98.2	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	154.4	161.7	65.8	97.5	0	0	0	110.2	C367 P382 V390 I432 V434	C367-L388 HydrophobicContact CB-CD2 3.67Å; P382-L388 HydrophobicContact CB-CB 4.35Å; P382-L388 HydrophobicContact CG-CB 3.9Å; L388-V390 HydrophobicContact CD1-CG2 3.48Å; L388-V390 VanDerWaalsContact CD1-CG2 3.48Å; L388-I432 HydrophobicContact CD1-CB 4.35Å; L388-I432 HydrophobicContact CD1-CD1 4.44Å; L388-I432 HydrophobicContact CG-CB 4.26Å; L388-I432 PolarHBondContact N-O 2.92Å; L388-I432 VanDerWaalsContact N-O 3.07Å; L388-I432 PolarHBondContact O-N 3.41Å; L388-V434 HydrophobicContact CD2-CG1 3.49Å; L388-V434 VanDerWaalsContact CD2-CG1 3.49Å; L388-V434 HydrophobicContact CG-CG1 4.33Å
389	M	98.8	Very high	98.2	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	138.9	178.5	-70.7	-75.7	-74.7	0	0	109.8	P181 W208 P234 V380 A421 Y429 R431	P181-M389 HydrophobicContact CB-CE 4.17Å; P181-M389 HydrophobicContact CG-CE 4.06Å; W208-M389 HydrophobicContact CZ2-CB 3.72Å; W208-M389 HydrophobicContact CZ2-CG 4.31Å; P234-M389 HydrophobicContact CB-CG 4.29Å; P234-M389 HydrophobicContact CB-SD 3.68Å; P234-M389 HydrophobicContact CG-CE 4.21Å; P234-M389 HydrophobicContact CG-CG 4.3Å; P234-M389 HydrophobicContact CG-SD 3.73Å; P234-M389 WeakPolarHBondContact O-CG 3.3Å; V380-M389 PolarHBondContact N-O 3.33Å; M389-A421 HydrophobicContact CE-CB 3.58Å; M389-A421 HydrophobicContact SD-CB 4.42Å; M389-Y429 HydrophobicContact CB-CD1 4.28Å; M389-Y429 HydrophobicContact CE-CD1 4.23Å; M389-Y429 HydrophobicContact CE-CG 4.28Å; M389-R431 HydrophobicContact SD-CB 3.8Å; M389-R431 HydrophobicContact SD-CG 4.16Å
390	V	98.9	Very high	98.1	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	119.8	178.6	-170.4	0	0	0	0	109	L371 L377 P379 L388 Y429 F430 I432	L371-V390 HydrophobicContact CD1-CG2 3.94Å; L377-V390 HydrophobicContact CB-CG1 3.97Å; L377-V390 HydrophobicContact CD1-CG1 4.34Å; L377-V390 HydrophobicContact CD2-CG1 4.27Å; L377-V390 HydrophobicContact CG-CG1 4.43Å; P379-V390 HydrophobicContact CB-CG1 4.36Å; P379-V390 HydrophobicContact CB-CG2 4.2Å; L388-V390 HydrophobicContact CD1-CG2 3.48Å; L388-V390 VanDerWaalsContact CD1-CG2 3.48Å; V390-Y429 VanDerWaalsContact C-CD1 3.41Å; V390-Y429 CarbonylContact O-C 3.5Å; V390-Y429 WeakPolarHBondContact O-CA 3.39Å; V390-Y429 WeakPolarHBondContact O-CD1 3.47Å; V390-F430 HydrophobicContact CB-CD1 4.29Å; V390-F430 HydrophobicContact CB-CD2 4.15Å; V390-F430 HydrophobicContact CB-CE1 3.84Å; V390-F430 HydrophobicContact CB-CE2 3.72Å; V390-F430 HydrophobicContact CB-CG 4.45Å; V390-F430 HydrophobicContact CB-CZ 3.55Å; V390-F430 HydrophobicContact CG1-CE1 3.87Å; V390-F430 HydrophobicContact CG1-CE2 4.25Å; V390-F430 HydrophobicContact CG1-CZ 3.61Å; V390-F430 HydrophobicContact CG2-CD2 4.31Å; V390-F430 HydrophobicContact CG2-CE2 3.76Å; V390-F430 HydrophobicContact CG2-CZ 3.99Å; V390-F430 PolarHBondContact N-O 3.36Å; V390-F430 PolarHBondContact O-N 3.27Å; V390-I432 HydrophobicContact CG2-CD1 4.12Å
391	G	98.8	Very high	98	Very high	3 Å²	3	33 Å²	33	3%	0.031	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	145.1	172.4	0	0	0	0	0	111.1	L377 T378 Y429	L377-G391 WeakPolarHBondContact CA-O 3.4Å; T378-G391 PolarHBondContact N-O 2.86Å; T378-G391 PolarHBondContact O-N 3.47Å; G391-Y429 VanDerWaalsContact N-CD1 3.28Å
392	I	98.8	Very high	98	Very high	11 Å²	11	31.3 Å²	31.3	6%	0.056	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	119.5	174.1	-44.7	171.5	0	0	0	107.6	M394 F397 D403 F406 N428 F430	I392-M394 VanDerWaalsContact C-N 3.26Å; I392-M394 HydrophobicContact CB-SD 3.88Å; I392-M394 HydrophobicContact CD1-SD 4.29Å; I392-M394 HydrophobicContact CG2-CG 4.47Å; I392-M394 HydrophobicContact CG2-SD 3.58Å; I392-M394 VanDerWaalsContact CG2-SD 3.58Å; I392-M394 PolarHBondContact O-N 3.06Å; I392-F397 HydrophobicContact CG2-CD2 3.72Å; I392-F397 HydrophobicContact CG2-CE2 3.92Å; I392-D403 HydrophobicContact CD1-CB 3.81Å; I392-F406 HydrophobicContact CD1-CB 4.06Å; I392-F406 HydrophobicContact CD1-CD1 4.01Å; I392-F406 HydrophobicContact CD1-CD2 4.18Å; I392-F406 HydrophobicContact CD1-CG 3.83Å; I392-F406 HydrophobicContact CG2-CD2 3.9Å; I392-F406 HydrophobicContact CG2-CE2 3.88Å; I392-N428 PolarHBondContact N-O 3.43Å; I392-F430 HydrophobicContact CD1-CD1 3.86Å; I392-F430 HydrophobicContact CD1-CE1 4.37Å; I392-F430 HydrophobicContact CG1-CD1 3.77Å; I392-F430 HydrophobicContact CG1-CE1 3.95Å
393	E	98.2	Very high	98.1	Very high	64 Å²	64	31 Å²	31	30%	0.299	16%	0.158	S	C	.	.			trans	-76.9	80.5	170.9	-60.8	172.1	-175.5	0	0	108.4	G376 T378 E395 H396 F397	G376-E393 WeakPolarHBondContact CA-OE2 3.1Å; G376-E393 PolarHBondContact O-N 2.77Å; T378-E393 PolarHBondContact OG1-OE1 2.95Å; E393-E395 PolarHBondContact O-N 3.47Å; E393-E395 VanDerWaalsContact O-N 3.08Å; E393-H396 WeakPolarHBondContact O-CB 3.42Å; E393-H396 PolarHBondContact O-N 2.79Å; E393-H396 IonicContact OE2-CD2 3.74Å; E393-H396 PolarHBondContact OE2-CD2 3.2Å; E393-H396 VanDerWaalsContact OE2-CD2 3.25Å; E393-H396 IonicContact OE2-NE2 2.93Å; E393-F397 WeakPolarHBondContact O-CD2 3.09Å
394	M	97.8	Very high	98	Very high	24 Å²	24	31.5 Å²	31.5	12%	0.118	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-55.8	-28.8	-170.7	-66.5	-61.3	-57.1	0	0	113.5	I392 H396 F397 F400 N428	I392-M394 VanDerWaalsContact C-N 3.26Å; I392-M394 HydrophobicContact CB-SD 3.88Å; I392-M394 HydrophobicContact CD1-SD 4.29Å; I392-M394 HydrophobicContact CG2-CG 4.47Å; I392-M394 HydrophobicContact CG2-SD 3.58Å; I392-M394 VanDerWaalsContact CG2-SD 3.58Å; I392-M394 PolarHBondContact O-N 3.06Å; M394-H396 PolarHBondContact O-N 3.21Å; M394-F397 CarbonylContact O-C 3.39Å; M394-F397 PolarHBondContact O-N 2.96Å; M394-F400 HydrophobicContact CE-CB 4.03Å; M394-F400 WeakPolarHBondContact CE-O 2.96Å; M394-N428 HydrophobicContact CG-CB 3.93Å
395	E	97.4	Very high	98	Very high	134 Å²	134	34.6 Å²	34.6	63%	0.626	17%	0.173	S	C	*	.	G	3₁₀ helix	trans	-57.3	-27.2	174.1	60.6	-93	-136.8	0	0	113.5	E393	E393-E395 PolarHBondContact O-N 3.47Å; E393-E395 VanDerWaalsContact O-N 3.08Å
396	H	98	Very high	98	Very high	24 Å²	24	34.6 Å²	34.6	11%	0.111	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-90.7	-4.7	177.6	-69.8	-60.2	0	0	0	113.5	E393 M394 P398 Y456 R457	E393-H396 WeakPolarHBondContact O-CB 3.42Å; E393-H396 PolarHBondContact O-N 2.79Å; E393-H396 IonicContact OE2-CD2 3.74Å; E393-H396 PolarHBondContact OE2-CD2 3.2Å; E393-H396 VanDerWaalsContact OE2-CD2 3.25Å; E393-H396 IonicContact OE2-NE2 2.93Å; M394-H396 PolarHBondContact O-N 3.21Å; H396-P398 VanDerWaalsContact C-CD 3.48Å; H396-Y456 HydrophobicContact CB-CD2 3.66Å; H396-Y456 HydrophobicContact CB-CE2 3.35Å; H396-Y456 AromaticContact CD2-CE2 3.91Å; H396-Y456 PolarHBondContact CE1-OH 3.19Å; H396-Y456 VanDerWaalsContact CE1-OH 3.27Å; H396-Y456 AromaticContact CG-CE2 3.42Å; H396-Y456 VanDerWaalsContact CG-CE2 3.42Å; H396-Y456 AromaticContact CG-CZ 3.69Å; H396-Y456 AromaticContact ND1-CE2 3.82Å; H396-Y456 AromaticContact ND1-CZ 3.58Å; H396-Y456 PolarHBondContact ND1-OH 3.31Å; H396-Y456 CarbonylContact O-C 3.54Å; H396-Y456 WeakPolarHBondContact O-CA 3.42Å; H396-R457 PolarHBondContact ND1-O 2.9Å; H396-R457 PolarHBondContact O-N 3.19Å
397	F	98	Very high	98	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.173	C	C	.	.			trans	-127.4	64.3	178.2	-55	-78.6	0	0	0	111.6	G376 I392 E393 M394 E399 F400 F406 C452 H455 Y456	G376-F397 WeakPolarHBondContact O-CE2 3.3Å; I392-F397 HydrophobicContact CG2-CD2 3.72Å; I392-F397 HydrophobicContact CG2-CE2 3.92Å; E393-F397 WeakPolarHBondContact O-CD2 3.09Å; M394-F397 CarbonylContact O-C 3.39Å; M394-F397 PolarHBondContact O-N 2.96Å; F397-E399 PolarHBondContact O-N 2.86Å; F397-F400 HydrophobicContact CB-CD2 3.66Å; F397-F400 HydrophobicContact CB-CE2 4.16Å; F397-F400 HydrophobicContact CD1-CE2 4.39Å; F397-F400 HydrophobicContact CG-CD2 4.39Å; F397-F400 PolarHBondContact O-N 3.36Å; F397-F406 HydrophobicContact CD1-CE2 4.24Å; F397-F406 HydrophobicContact CD2-CE2 4.18Å; F397-F406 HydrophobicContact CE1-CE2 4.29Å; F397-F406 HydrophobicContact CE2-CE2 4.22Å; F397-F406 HydrophobicContact CG-CE2 4.18Å; F397-F406 HydrophobicContact CZ-CE2 4.28Å; F397-C452 HydrophobicContact CE1-CB 4.15Å; F397-C452 HydrophobicContact CZ-CB 4.21Å; F397-H455 HydrophobicContact CD1-CB 4.02Å; F397-Y456 HydrophobicContact CE1-CD2 4.24Å; F397-Y456 HydrophobicContact CZ-CD2 4.04Å
398	P	96.7	Very high	98	Very high	77 Å²	77	36.2 Å²	36.2	50%	0.5	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-14.1	-171.2	27.5	-37.1	0	0	0	114.6	H396 F400 R457	H396-P398 VanDerWaalsContact C-CD 3.48Å; P398-F400 VanDerWaalsContact C-N 3.26Å; P398-R457 HydrophobicContact CG-CB 4.38Å; P398-R457 HydrophobicContact CG-CG 3.87Å
399	E	97.1	Very high	98	Very high	93 Å²	93	40 Å²	40	44%	0.435	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-22.6	175.1	-64.8	172.4	-152	0	0	112.1	F397 H455 R457	F397-E399 PolarHBondContact O-N 2.86Å; E399-H455 IonicContact OE2-CE1 2.7Å; E399-H455 PolarHBondContact OE2-CE1 2.91Å; E399-H455 IonicContact OE2-CG 2.76Å; E399-H455 IonicContact OE2-ND1 3.85Å; E399-H455 PolarHBondContact OE2-ND1 3.02Å; E399-R457 IonicContact OE1-CZ 3.7Å; E399-R457 IonicContact OE1-NH2 3.71Å; E399-R457 PolarHBondContact OE1-NH2 2.93Å
400	F	97.5	Very high	98	Very high	6 Å²	6	40 Å²	40	3%	0.026	20%	0.198	C	C	.	.			trans	-111.1	133.5	-177.5	-45.9	-52.2	0	0	0	110.8	M394 F397 P398 Q405 F406 H409 F451 H455	M394-F400 HydrophobicContact CE-CB 4.03Å; M394-F400 WeakPolarHBondContact CE-O 2.96Å; F397-F400 HydrophobicContact CB-CD2 3.66Å; F397-F400 HydrophobicContact CB-CE2 4.16Å; F397-F400 HydrophobicContact CD1-CE2 4.39Å; F397-F400 HydrophobicContact CG-CD2 4.39Å; F397-F400 PolarHBondContact O-N 3.36Å; P398-F400 VanDerWaalsContact C-N 3.26Å; F400-Q405 HydrophobicContact CB-CB 4.43Å; F400-F406 HydrophobicContact CB-CB 4.43Å; F400-F406 HydrophobicContact CD2-CB 4.27Å; F400-F406 AromaticContact CD2-CD2 3.51Å; F400-F406 HydrophobicContact CD2-CD2 3.51Å; F400-F406 HydrophobicContact CD2-CE2 4.27Å; F400-F406 HydrophobicContact CD2-CG 4.26Å; F400-F406 AromaticContact CE2-CD2 3.85Å; F400-F406 HydrophobicContact CE2-CD2 3.85Å; F400-F406 HydrophobicContact CE2-CE2 4.26Å; F400-F406 HydrophobicContact CG-CB 4.34Å; F400-F406 HydrophobicContact CG-CD2 4.37Å; F400-H409 HydrophobicContact CE1-CB 3.74Å; F400-H409 AromaticContact CE1-CG 3.61Å; F400-H409 AromaticContact CE1-ND1 3.73Å; F400-H409 HydrophobicContact CZ-CB 4.21Å; F400-F451 HydrophobicContact CE1-CZ 4.33Å; F400-F451 HydrophobicContact CE2-CE1 4.07Å; F400-F451 AromaticContact CE2-CZ 3.79Å; F400-F451 HydrophobicContact CE2-CZ 3.79Å; F400-F451 HydrophobicContact CZ-CE1 4.2Å; F400-F451 HydrophobicContact CZ-CE2 4.17Å; F400-F451 AromaticContact CZ-CZ 3.45Å; F400-F451 HydrophobicContact CZ-CZ 3.45Å; F400-F451 VanDerWaalsContact CZ-CZ 3.45Å; F400-H455 HydrophobicContact CE2-CB 3.86Å; F400-H455 HydrophobicContact CZ-CB 4.05Å; F400-H455 AromaticContact CZ-CG 3.67Å; F400-H455 AromaticContact CZ-ND1 3.71Å
401	Q	96.6	Very high	97.9	Very high	139 Å²	139	40 Å²	40	65%	0.65	20%	0.198	S	C	*	.	S	Bend	trans	-88.8	-21.3	179.2	-59.3	-60.6	-47.6	0	0	113	Q405	Q401-Q405 VanDerWaalsContact CB-OE1 3.29Å
402	N	97.8	Very high	97.9	Very high	53 Å²	53	43 Å²	43	28%	0.283	22%	0.216	S	C	.	.	S	Bend	trans	-161	172	-178.3	53.8	55.8	0	0	0	111.4	V404 Q405 F406	N402-V404 VanDerWaalsContact C-N 3.25Å; N402-V404 PolarHBondContact O-N 2.94Å; N402-V404 WeakPolarHBondContact OD1-CA 3.4Å; N402-V404 VanDerWaalsContact OD1-CB 3.32Å; N402-V404 WeakPolarHBondContact OD1-CB 3.32Å; N402-V404 PolarHBondContact OD1-N 3.05Å; N402-V404 VanDerWaalsContact OD1-N 3.16Å; N402-Q405 PolarHBondContact O-N 3.24Å; N402-Q405 PolarHBondContact OD1-N 3.16Å; N402-F406 PolarHBondContact O-N 3.12Å
403	D	98.3	Very high	97.9	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-61.6	-28.2	176.8	54.5	-53.3	0	0	0	113.6	I392 T407 P420 A421 T422 N428 Y429	I392-D403 HydrophobicContact CD1-CB 3.81Å; D403-T407 WeakPolarHBondContact O-CB 3.45Å; D403-T407 WeakPolarHBondContact O-CG2 3.26Å; D403-T407 PolarHBondContact O-N 3Å; D403-T407 PolarHBondContact O-OG1 3.11Å; D403-P420 HydrophobicContact CB-CB 4.26Å; D403-P420 VanDerWaalsContact OD2-CB 3.27Å; D403-P420 WeakPolarHBondContact OD2-CB 3.48Å; D403-A421 PolarHBondContact OD2-N 3.05Å; D403-T422 VanDerWaalsContact CG-OG1 3.27Å; D403-T422 PolarHBondContact OD1-OG1 3.08Å; D403-T422 WeakPolarHBondContact OD2-CB 3.2Å; D403-T422 PolarHBondContact OD2-N 3.29Å; D403-T422 PolarHBondContact OD2-OG1 3.12Å; D403-N428 PolarHBondContact OD1-N 3.09Å; D403-Y429 WeakPolarHBondContact CB-O 3.28Å
404	V	98	Very high	97.9	Very high	29 Å²	29	41.5 Å²	41.5	18%	0.176	21%	0.209	C	C	.	.	H	α-helix	trans	-65.2	-50.7	174.7	-176.8	0	0	0	0	110	I73 M77 N402 F406 T407 E408 P420	I73-V404 HydrophobicContact CG2-CG1 4.42Å; I73-V404 HydrophobicContact CG2-CG2 4.16Å; M77-V404 HydrophobicContact CE-CG1 4.29Å; M77-V404 HydrophobicContact CG-CG1 3.84Å; M77-V404 HydrophobicContact SD-CG1 4.36Å; N402-V404 VanDerWaalsContact C-N 3.25Å; N402-V404 PolarHBondContact O-N 2.94Å; N402-V404 WeakPolarHBondContact OD1-CA 3.4Å; N402-V404 VanDerWaalsContact OD1-CB 3.32Å; N402-V404 WeakPolarHBondContact OD1-CB 3.32Å; N402-V404 PolarHBondContact OD1-N 3.05Å; N402-V404 VanDerWaalsContact OD1-N 3.16Å; V404-F406 PolarHBondContact O-N 3.13Å; V404-T407 PolarHBondContact O-N 2.71Å; V404-T407 PolarHBondContact O-OG1 3.19Å; V404-E408 HydrophobicContact CG1-CG 4.5Å; V404-E408 WeakPolarHBondContact O-CG 3.48Å; V404-E408 PolarHBondContact O-N 2.91Å; V404-P420 HydrophobicContact CB-CB 4.46Å; V404-P420 HydrophobicContact CG2-CB 3.93Å; V404-P420 HydrophobicContact CG2-CG 4.13Å
405	Q	97.9	Very high	97.9	Very high	66 Å²	66	40.3 Å²	40.3	31%	0.308	20%	0.203	S	C	.	.	H	α-helix	trans	-63.2	-41.7	177.3	-71.7	-178.9	-7.9	0	0	112.1	F400 Q401 N402 T407 E408 H409	F400-Q405 HydrophobicContact CB-CB 4.43Å; Q401-Q405 VanDerWaalsContact CB-OE1 3.29Å; N402-Q405 PolarHBondContact O-N 3.24Å; N402-Q405 PolarHBondContact OD1-N 3.16Å; Q405-T407 VanDerWaalsContact C-N 3.33Å; Q405-T407 PolarHBondContact O-N 3.06Å; Q405-E408 PolarHBondContact O-N 2.62Å; Q405-H409 PolarHBondContact O-CD2 2.85Å; Q405-H409 VanDerWaalsContact O-CD2 3.28Å; Q405-H409 PolarHBondContact O-N 3.02Å
406	F	98.6	Very high	98	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-55.8	-49.1	175.6	-175.4	-78.6	0	0	0	111.2	L377 I392 F397 F400 N402 V404 H409 L410 F430 F451	L377-F406 HydrophobicContact CD2-CZ 4.22Å; I392-F406 HydrophobicContact CD1-CB 4.06Å; I392-F406 HydrophobicContact CD1-CD1 4.01Å; I392-F406 HydrophobicContact CD1-CD2 4.18Å; I392-F406 HydrophobicContact CD1-CG 3.83Å; I392-F406 HydrophobicContact CG2-CD2 3.9Å; I392-F406 HydrophobicContact CG2-CE2 3.88Å; F397-F406 HydrophobicContact CD1-CE2 4.24Å; F397-F406 HydrophobicContact CD2-CE2 4.18Å; F397-F406 HydrophobicContact CE1-CE2 4.29Å; F397-F406 HydrophobicContact CE2-CE2 4.22Å; F397-F406 HydrophobicContact CG-CE2 4.18Å; F397-F406 HydrophobicContact CZ-CE2 4.28Å; F400-F406 HydrophobicContact CB-CB 4.43Å; F400-F406 HydrophobicContact CD2-CB 4.27Å; F400-F406 AromaticContact CD2-CD2 3.51Å; F400-F406 HydrophobicContact CD2-CD2 3.51Å; F400-F406 HydrophobicContact CD2-CE2 4.27Å; F400-F406 HydrophobicContact CD2-CG 4.26Å; F400-F406 AromaticContact CE2-CD2 3.85Å; F400-F406 HydrophobicContact CE2-CD2 3.85Å; F400-F406 HydrophobicContact CE2-CE2 4.26Å; F400-F406 HydrophobicContact CG-CB 4.34Å; F400-F406 HydrophobicContact CG-CD2 4.37Å; N402-F406 PolarHBondContact O-N 3.12Å; V404-F406 PolarHBondContact O-N 3.13Å; F406-H409 PolarHBondContact O-N 2.83Å; F406-L410 WeakPolarHBondContact O-CB 3.45Å; F406-L410 PolarHBondContact O-N 3.34Å; F406-F430 HydrophobicContact CE1-CE1 4.08Å; F406-F451 HydrophobicContact CD1-CE1 4.23Å; F406-F451 HydrophobicContact CD2-CE1 4.19Å; F406-F451 HydrophobicContact CE1-CD1 4.32Å; F406-F451 AromaticContact CE1-CE1 3.85Å; F406-F451 HydrophobicContact CE1-CE1 3.85Å; F406-F451 AromaticContact CE2-CE1 3.82Å; F406-F451 HydrophobicContact CE2-CE1 3.82Å; F406-F451 HydrophobicContact CG-CE1 4.38Å; F406-F451 HydrophobicContact CZ-CD1 4.01Å; F406-F451 AromaticContact CZ-CE1 3.63Å; F406-F451 HydrophobicContact CZ-CE1 3.63Å
407	T	98.2	Very high	98	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-73	-32.1	-178.6	52.5	0	0	0	0	113.3	M77 D403 V404 Q405 V411 C418 P420 F430	M77-T407 VanDerWaalsContact CE-OG1 3.3Å; M77-T407 WeakPolarHBondContact CE-OG1 3.41Å; D403-T407 WeakPolarHBondContact O-CB 3.45Å; D403-T407 WeakPolarHBondContact O-CG2 3.26Å; D403-T407 PolarHBondContact O-N 3Å; D403-T407 PolarHBondContact O-OG1 3.11Å; V404-T407 PolarHBondContact O-N 2.71Å; V404-T407 PolarHBondContact O-OG1 3.19Å; Q405-T407 VanDerWaalsContact C-N 3.33Å; Q405-T407 PolarHBondContact O-N 3.06Å; T407-V411 WeakPolarHBondContact O-CG2 3.37Å; T407-V411 PolarHBondContact O-N 3Å; T407-C418 HydrophobicContact CG2-CB 4.18Å; T407-P420 HydrophobicContact CG2-CB 4.39Å; T407-P420 WeakPolarHBondContact OG1-CD 3.38Å; T407-F430 HydrophobicContact CG2-CB 3.99Å; T407-F430 HydrophobicContact CG2-CG 4.47Å
408	E	98.1	Very high	98	Very high	38 Å²	38	33.6 Å²	33.6	18%	0.178	17%	0.171	C	C	.	.	H	α-helix	trans	-60.3	-49.8	170.3	-76.2	-176.8	143.8	0	0	111.5	M77 K78 V404 Q405 L410 V411 T412	M77-E408 WeakPolarHBondContact CA-OE1 3.43Å; M77-E408 HydrophobicContact CB-CG 4.12Å; M77-E408 HydrophobicContact CE-CB 4.47Å; M77-E408 HydrophobicContact CE-CG 3.54Å; M77-E408 HydrophobicContact CG-CG 4.07Å; K78-E408 PolarHBondContact N-OE1 3.06Å; V404-E408 HydrophobicContact CG1-CG 4.5Å; V404-E408 WeakPolarHBondContact O-CG 3.48Å; V404-E408 PolarHBondContact O-N 2.91Å; Q405-E408 PolarHBondContact O-N 2.62Å; E408-L410 VanDerWaalsContact C-N 3.35Å; E408-L410 PolarHBondContact O-N 3.28Å; E408-V411 WeakPolarHBondContact O-CB 3.06Å; E408-V411 PolarHBondContact O-N 2.99Å; E408-T412 PolarHBondContact O-N 2.72Å; E408-T412 PolarHBondContact O-OG1 3.49Å
409	H	98.2	Very high	98.1	Very high	80 Å²	80	30.1 Å²	30.1	37%	0.37	15%	0.148	S	C	.	.	H	α-helix	trans	-65.4	-38.3	178.9	-83.7	-112.2	0	0	0	112.2	F400 Q405 F406 V411 T412 E413 F451	F400-H409 HydrophobicContact CE1-CB 3.74Å; F400-H409 AromaticContact CE1-CG 3.61Å; F400-H409 AromaticContact CE1-ND1 3.73Å; F400-H409 HydrophobicContact CZ-CB 4.21Å; Q405-H409 PolarHBondContact O-CD2 2.85Å; Q405-H409 VanDerWaalsContact O-CD2 3.28Å; Q405-H409 PolarHBondContact O-N 3.02Å; F406-H409 PolarHBondContact O-N 2.83Å; H409-V411 VanDerWaalsContact C-N 3.29Å; H409-V411 PolarHBondContact O-N 3.25Å; H409-T412 PolarHBondContact O-N 3.27Å; H409-T412 VanDerWaalsContact O-N 3.15Å; H409-E413 IonicContact ND1-OE1 3.33Å; H409-E413 WeakPolarHBondContact O-CB 3.33Å; H409-E413 PolarHBondContact O-N 3.47Å; H409-F451 HydrophobicContact CB-CE2 3.97Å; H409-F451 HydrophobicContact CB-CZ 3.89Å
410	L	98.6	Very high	98.1	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-58.7	-41.2	172.9	-178.8	66.1	0	0	0	111.6	F406 E408 Q414 S415 V416 I448 F451	F406-L410 WeakPolarHBondContact O-CB 3.45Å; F406-L410 PolarHBondContact O-N 3.34Å; E408-L410 VanDerWaalsContact C-N 3.35Å; E408-L410 PolarHBondContact O-N 3.28Å; L410-Q414 HydrophobicContact CD1-CB 3.97Å; L410-Q414 HydrophobicContact CD1-CG 3.97Å; L410-Q414 WeakPolarHBondContact O-CA 3.39Å; L410-Q414 VanDerWaalsContact O-CB 3.27Å; L410-Q414 WeakPolarHBondContact O-CB 3.46Å; L410-Q414 PolarHBondContact O-N 3.3Å; L410-S415 PolarHBondContact O-N 3.02Å; L410-V416 HydrophobicContact CD1-CB 4.45Å; L410-V416 HydrophobicContact CD2-CB 4.32Å; L410-V416 HydrophobicContact CD2-CG1 4.26Å; L410-V416 HydrophobicContact CG-CB 4.16Å; L410-V416 WeakPolarHBondContact CG-O 3.35Å; L410-I448 HydrophobicContact CD1-CG1 4.13Å; L410-I448 HydrophobicContact CD2-CG1 4.02Å; L410-F451 HydrophobicContact CB-CD1 4.46Å; L410-F451 HydrophobicContact CB-CE1 4.27Å; L410-F451 HydrophobicContact CB-CZ 4.33Å; L410-F451 HydrophobicContact CD1-CB 3.8Å; L410-F451 HydrophobicContact CD1-CD1 3.81Å; L410-F451 HydrophobicContact CD1-CD2 4.3Å; L410-F451 HydrophobicContact CD1-CE1 4.45Å; L410-F451 HydrophobicContact CD1-CG 3.71Å
411	V	98.3	Very high	98.2	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-64.4	-47.1	173.6	170.6	0	0	0	0	110.8	L79 P81 M87 T407 E408 H409 E413 S415 V416 F417	L79-V411 HydrophobicContact CB-CG1 4.37Å; L79-V411 HydrophobicContact CD2-CB 4.32Å; L79-V411 HydrophobicContact CD2-CG1 4.29Å; L79-V411 HydrophobicContact CD2-CG2 4.12Å; P81-V411 WeakPolarHBondContact CA-O 3.18Å; P81-V411 HydrophobicContact CB-CG1 4.31Å; M87-V411 HydrophobicContact CE-CG1 4.3Å; M87-V411 HydrophobicContact CE-CG2 4.48Å; T407-V411 WeakPolarHBondContact O-CG2 3.37Å; T407-V411 PolarHBondContact O-N 3Å; E408-V411 WeakPolarHBondContact O-CB 3.06Å; E408-V411 PolarHBondContact O-N 2.99Å; H409-V411 VanDerWaalsContact C-N 3.29Å; H409-V411 PolarHBondContact O-N 3.25Å; V411-E413 PolarHBondContact O-N 2.95Å; V411-S415 WeakPolarHBondContact O-CA 3.49Å; V411-S415 PolarHBondContact O-N 3.12Å; V411-V416 VanDerWaalsContact CG2-O 3.24Å; V411-V416 WeakPolarHBondContact CG2-O 3.46Å; V411-F417 HydrophobicContact CG2-CB 3.63Å; V411-F417 HydrophobicContact CG2-CD2 3.79Å; V411-F417 HydrophobicContact CG2-CG 3.97Å
412	T	97.9	Very high	98.2	Very high	64 Å²	64	20.8 Å²	20.8	39%	0.393	11%	0.108	S	C	.	.	H	α-helix	trans	-65.1	-35.6	-176.9	-67.4	0	0	0	0	114.2	T80 N82 E408 H409	T80-T412 WeakPolarHBondContact O-CA 3.24Å; T80-T412 PolarHBondContact O-OG1 3.38Å; N82-T412 WeakPolarHBondContact CB-O 3.31Å; N82-T412 PolarHBondContact N-O 3.27Å; E408-T412 PolarHBondContact O-N 2.72Å; E408-T412 PolarHBondContact O-OG1 3.49Å; H409-T412 PolarHBondContact O-N 3.27Å; H409-T412 VanDerWaalsContact O-N 3.15Å
413	E	98.1	Very high	98.1	Very high	44 Å²	44	18.3 Å²	18.3	21%	0.206	10%	0.095	C	C	.	.	H	α-helix	trans	-94.5	-35	-176.8	-64.9	-173.6	-150.6	0	0	113.1	N82 H409 V411 F451 R454 H455	N82-E413 PolarHBondContact ND2-O 3.18Å; H409-E413 IonicContact ND1-OE1 3.33Å; H409-E413 WeakPolarHBondContact O-CB 3.33Å; H409-E413 PolarHBondContact O-N 3.47Å; V411-E413 PolarHBondContact O-N 2.95Å; E413-F451 HydrophobicContact CB-CD2 4.31Å; E413-R454 IonicContact OE2-CZ 3.28Å; E413-R454 IonicContact OE2-NH1 3.31Å; E413-R454 PolarHBondContact OE2-NH1 3.03Å; E413-H455 IonicContact OE1-CE1 3.25Å; E413-H455 PolarHBondContact OE1-CE1 2.8Å; E413-H455 IonicContact OE1-NE2 2.65Å; E413-H455 PolarHBondContact OE1-NE2 3.27Å; E413-H455 IonicContact OE2-CE1 3.79Å; E413-H455 IonicContact OE2-NE2 3.29Å; E413-H455 PolarHBondContact OE2-NE2 3.5Å; E413-H455 VanDerWaalsContact OE2-NE2 3.12Å
414	Q	98.6	Very high	98	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-118	-7.2	-170.4	-61.3	-61.3	-29	0	0	114.5	L410 V416 R447 E450 F451	L410-Q414 HydrophobicContact CD1-CB 3.97Å; L410-Q414 HydrophobicContact CD1-CG 3.97Å; L410-Q414 WeakPolarHBondContact O-CA 3.39Å; L410-Q414 VanDerWaalsContact O-CB 3.27Å; L410-Q414 WeakPolarHBondContact O-CB 3.46Å; L410-Q414 PolarHBondContact O-N 3.3Å; Q414-V416 HydrophobicContact CB-CG2 4.21Å; Q414-V416 PolarHBondContact O-N 3.3Å; Q414-R447 HydrophobicContact CB-CB 4.14Å; Q414-R447 HydrophobicContact CG-CB 4.4Å; Q414-R447 WeakPolarHBondContact O-CD 3.36Å; Q414-R447 PolarHBondContact O-NH1 3.26Å; Q414-E450 PolarHBondContact NE2-OE1 2.97Å; Q414-F451 HydrophobicContact CG-CB 3.77Å; Q414-F451 HydrophobicContact CG-CD2 4.4Å; Q414-F451 HydrophobicContact CG-CG 4.44Å
415	S	98.5	Very high	98	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.101	C	C	.	.			trans	53	36.2	-173.1	-55.2	0	0	0	0	112.4	N82 K85 M87 I88 L410 V411	N82-S415 WeakPolarHBondContact CA-OG 3.24Å; N82-S415 WeakPolarHBondContact CB-OG 3.3Å; N82-S415 PolarHBondContact N-OG 3.24Å; N82-S415 PolarHBondContact O-OG 2.83Å; K85-S415 WeakPolarHBondContact O-CB 3.25Å; K85-S415 PolarHBondContact O-OG 3.11Å; M87-S415 CarbonylContact C-O 3.56Å; M87-S415 WeakPolarHBondContact CA-O 3.35Å; M87-S415 VanDerWaalsContact SD-O 3.37Å; I88-S415 PolarHBondContact N-O 2.94Å; L410-S415 PolarHBondContact O-N 3.02Å; V411-S415 WeakPolarHBondContact O-CA 3.49Å; V411-S415 PolarHBondContact O-N 3.12Å
416	V	98.6	Very high	98	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	121.1	174.2	179.2	0	0	0	0	108.5	I88 L90 L410 V411 Q414 A444 R447 I448	I88-V416 HydrophobicContact CB-CG2 4.47Å; I88-V416 WeakPolarHBondContact O-CA 3.28Å; L90-V416 HydrophobicContact CD1-CG1 3.87Å; L90-V416 HydrophobicContact CG-CG1 4.33Å; L410-V416 HydrophobicContact CD1-CB 4.45Å; L410-V416 HydrophobicContact CD2-CB 4.32Å; L410-V416 HydrophobicContact CD2-CG1 4.26Å; L410-V416 HydrophobicContact CG-CB 4.16Å; L410-V416 WeakPolarHBondContact CG-O 3.35Å; V411-V416 VanDerWaalsContact CG2-O 3.24Å; V411-V416 WeakPolarHBondContact CG2-O 3.46Å; Q414-V416 HydrophobicContact CB-CG2 4.21Å; Q414-V416 PolarHBondContact O-N 3.3Å; V416-A444 HydrophobicContact CG1-CB 4.18Å; V416-A444 HydrophobicContact CG2-CB 4.41Å; V416-R447 HydrophobicContact CG2-CB 3.85Å; V416-R447 HydrophobicContact CG2-CG 4.48Å; V416-I448 HydrophobicContact CG1-CD1 4.17Å; V416-I448 HydrophobicContact CG1-CG1 4.17Å
417	F	98.2	Very high	98	Very high	16 Å²	16	22.6 Å²	22.6	7%	0.07	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	101.2	-179.1	-175.8	-155.4	0	0	0	112.3	V74 M77 L79 M87 I88 L90 S91 V411	V74-F417 HydrophobicContact CG1-CE1 4.29Å; V74-F417 HydrophobicContact CG1-CZ 4.02Å; V74-F417 HydrophobicContact CG2-CZ 4.07Å; M77-F417 HydrophobicContact CE-CE2 4.11Å; M77-F417 HydrophobicContact SD-CE2 4.25Å; L79-F417 HydrophobicContact CD1-CD1 4.4Å; L79-F417 HydrophobicContact CD1-CE1 3.84Å; L79-F417 HydrophobicContact CD1-CE2 4.29Å; L79-F417 HydrophobicContact CD1-CZ 3.79Å; L79-F417 HydrophobicContact CD2-CD2 4.44Å; L79-F417 HydrophobicContact CD2-CE2 4.2Å; M87-F417 HydrophobicContact CE-CB 3.35Å; M87-F417 HydrophobicContact CE-CD1 4.19Å; M87-F417 HydrophobicContact CE-CG 4.13Å; I88-F417 PolarHBondContact O-N 3.44Å; L90-F417 CarbonylContact C-O 3.53Å; L90-F417 VanDerWaalsContact C-O 3.3Å; L90-F417 VanDerWaalsContact CA-O 3.3Å; L90-F417 WeakPolarHBondContact CA-O 3.42Å; L90-F417 WeakPolarHBondContact CB-O 3.32Å; L90-F417 PolarHBondContact N-O 3.4Å; S91-F417 PolarHBondContact N-O 2.9Å; S91-F417 WeakPolarHBondContact OG-CD1 3.43Å; S91-F417 WeakPolarHBondContact OG-CE1 3.35Å; V411-F417 HydrophobicContact CG2-CB 3.63Å; V411-F417 HydrophobicContact CG2-CD2 3.79Å; V411-F417 HydrophobicContact CG2-CG 3.97Å
418	C	98.2	Very high	98	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.134	C	C	.	.	P	Polyproline II helix	trans	-91	150.6	165	-58.8	0	0	0	0	110	T407 P420 F430	T407-C418 HydrophobicContact CG2-CB 4.18Å; C418-P420 WeakPolarHBondContact O-CD 3.44Å; C418-F430 HydrophobicContact CB-CB 4.18Å; C418-F430 HydrophobicContact CB-CD2 3.45Å; C418-F430 VanDerWaalsContact CB-CD2 3.45Å; C418-F430 HydrophobicContact CB-CE2 4.07Å; C418-F430 HydrophobicContact CB-CG 4.04Å
419	L	98.1	Very high	98	Very high	4 Å²	4	25.8 Å²	25.8	2%	0.021	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	118.4	-179.8	-172.9	66.1	0	0	0	109.9	I70 V74 A421 A423 F424 F430 R431	I70-L419 HydrophobicContact CD1-CD2 4.49Å; I70-L419 HydrophobicContact CG1-CD2 4.46Å; I70-L419 HydrophobicContact CG2-CD1 4.14Å; I70-L419 HydrophobicContact CG2-CD2 4.26Å; V74-L419 HydrophobicContact CG2-CD1 3.52Å; L419-A421 PolarHBondContact O-N 2.71Å; L419-A423 HydrophobicContact CG-CB 4.42Å; L419-F424 HydrophobicContact CD2-CE2 3.58Å; L419-F424 HydrophobicContact CD2-CZ 3.42Å; L419-F424 VanDerWaalsContact CD2-CZ 3.42Å; L419-F424 HydrophobicContact CG-CE2 4.21Å; L419-F424 HydrophobicContact CG-CZ 4.49Å; L419-F430 CarbonylContact O-C 3.3Å; L419-F430 VanDerWaalsContact O-CA 3.3Å; L419-F430 WeakPolarHBondContact O-CA 3.39Å; L419-F430 WeakPolarHBondContact O-CB 3.27Å; L419-R431 HydrophobicContact CB-CB 4.48Å; L419-R431 PolarHBondContact N-O 3Å; L419-R431 VanDerWaalsContact N-O 3.12Å; L419-R431 PolarHBondContact O-N 3.45Å
420	P	98.4	Very high	98.1	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59	133.1	175.4	23.1	-33.6	0	0	0	110.9	I73 M77 D403 V404 T407 C418 T422 A423	I73-P420 HydrophobicContact CG2-CG 3.93Å; M77-P420 HydrophobicContact CE-CG 4.1Å; M77-P420 HydrophobicContact SD-CG 3.93Å; D403-P420 HydrophobicContact CB-CB 4.26Å; D403-P420 VanDerWaalsContact OD2-CB 3.27Å; D403-P420 WeakPolarHBondContact OD2-CB 3.48Å; V404-P420 HydrophobicContact CB-CB 4.46Å; V404-P420 HydrophobicContact CG2-CB 3.93Å; V404-P420 HydrophobicContact CG2-CG 4.13Å; T407-P420 HydrophobicContact CG2-CB 4.39Å; T407-P420 WeakPolarHBondContact OG1-CD 3.38Å; C418-P420 WeakPolarHBondContact O-CD 3.44Å; P420-T422 PolarHBondContact O-N 3.38Å; P420-A423 VanDerWaalsContact O-CB 3.26Å; P420-A423 WeakPolarHBondContact O-CB 3.35Å; P420-A423 PolarHBondContact O-N 3.21Å; P420-A423 VanDerWaalsContact O-N 3.11Å
421	A	98.2	Very high	98.1	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-76.5	-7.4	-173.7	0	0	0	0	0	114.1	M389 D403 L419 A423 F424 E425 Y426 Y429	M389-A421 HydrophobicContact CE-CB 3.58Å; M389-A421 HydrophobicContact SD-CB 4.42Å; D403-A421 PolarHBondContact OD2-N 3.05Å; L419-A421 PolarHBondContact O-N 2.71Å; A421-A423 PolarHBondContact O-N 3.41Å; A421-A423 VanDerWaalsContact O-N 3.1Å; A421-F424 HydrophobicContact CB-CD2 4.43Å; A421-F424 CarbonylContact O-C 3.51Å; A421-F424 WeakPolarHBondContact O-CA 3.33Å; A421-F424 PolarHBondContact O-N 2.96Å; A421-E425 PolarHBondContact O-N 2.7Å; A421-Y426 CarbonylContact C-O 3.5Å; A421-Y426 WeakPolarHBondContact CB-O 3.4Å; A421-Y426 CarbonylContact O-C 3.15Å; A421-Y426 PolarHBondContact O-N 2.94Å; A421-Y429 VanDerWaalsContact CB-C 3.43Å; A421-Y429 VanDerWaalsContact CB-CB 3.5Å; A421-Y429 WeakPolarHBondContact CB-O 3.49Å; A421-Y429 PolarHBondContact N-O 3.16Å
422	T	97.6	Very high	98.1	Very high	42 Å²	42	22.4 Å²	22.4	26%	0.258	12%	0.117	S	C	.	.	G	3₁₀ helix	trans	-50.1	-30.4	160.3	-64.7	0	0	0	0	111.4	I73 D403 P420 F424 E425	I73-T422 HydrophobicContact CD1-CG2 3.71Å; D403-T422 VanDerWaalsContact CG-OG1 3.27Å; D403-T422 PolarHBondContact OD1-OG1 3.08Å; D403-T422 WeakPolarHBondContact OD2-CB 3.2Å; D403-T422 PolarHBondContact OD2-N 3.29Å; D403-T422 PolarHBondContact OD2-OG1 3.12Å; P420-T422 PolarHBondContact O-N 3.38Å; T422-F424 PolarHBondContact O-N 3.19Å; T422-E425 PolarHBondContact O-N 2.87Å
423	A	95.6	Very high	98.1	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.008	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	-65.4	-15.2	173.8	0	0	0	0	0	115.1	I70 I73 L419 P420 A421	I70-A423 HydrophobicContact CB-CB 4.47Å; I70-A423 HydrophobicContact CG1-CB 3.9Å; I73-A423 VanDerWaalsContact CD1-CA 3.4Å; I73-A423 HydrophobicContact CD1-CB 3.82Å; I73-A423 VanDerWaalsContact CD1-N 3.3Å; L419-A423 HydrophobicContact CG-CB 4.42Å; P420-A423 VanDerWaalsContact O-CB 3.26Å; P420-A423 WeakPolarHBondContact O-CB 3.35Å; P420-A423 PolarHBondContact O-N 3.21Å; P420-A423 VanDerWaalsContact O-N 3.11Å; A421-A423 PolarHBondContact O-N 3.41Å; A421-A423 VanDerWaalsContact O-N 3.1Å
424	F	97.2	Very high	98.1	Very high	2 Å²	2	17.3 Å²	17.3	1%	0.009	9%	0.088	C	C	.	.	G	3₁₀ helix	trans	-113.7	18.5	175.4	-53.1	-67.5	0	0	0	111.6	I70 P181 G182 P234 L419 A421 T422 Y426 R431	I70-F424 HydrophobicContact CD1-CE1 3.84Å; I70-F424 HydrophobicContact CD1-CZ 4.21Å; I70-F424 HydrophobicContact CG1-CE1 4.34Å; P181-F424 WeakPolarHBondContact CA-O 3.38Å; P181-F424 HydrophobicContact CB-CB 3.94Å; G182-F424 PolarHBondContact N-O 3.23Å; G182-F424 WeakPolarHBondContact O-CD1 3.26Å; P234-F424 HydrophobicContact CB-CD1 4.34Å; P234-F424 HydrophobicContact CB-CD2 3.87Å; P234-F424 HydrophobicContact CB-CE1 4.29Å; P234-F424 HydrophobicContact CB-CE2 3.85Å; P234-F424 HydrophobicContact CB-CG 4.14Å; P234-F424 HydrophobicContact CB-CZ 4.06Å; P234-F424 HydrophobicContact CG-CB 4.09Å; P234-F424 HydrophobicContact CG-CD1 4.18Å; P234-F424 HydrophobicContact CG-CD2 3.85Å; P234-F424 HydrophobicContact CG-CE2 4.34Å; P234-F424 HydrophobicContact CG-CG 3.77Å; L419-F424 HydrophobicContact CD2-CE2 3.58Å; L419-F424 HydrophobicContact CD2-CZ 3.42Å; L419-F424 VanDerWaalsContact CD2-CZ 3.42Å; L419-F424 HydrophobicContact CG-CE2 4.21Å; L419-F424 HydrophobicContact CG-CZ 4.49Å; A421-F424 HydrophobicContact CB-CD2 4.43Å; A421-F424 CarbonylContact O-C 3.51Å; A421-F424 WeakPolarHBondContact O-CA 3.33Å; A421-F424 PolarHBondContact O-N 2.96Å; T422-F424 PolarHBondContact O-N 3.19Å; F424-Y426 PolarHBondContact O-N 3.17Å; F424-R431 HydrophobicContact CE2-CB 3.87Å; F424-R431 HydrophobicContact CE2-CG 4.45Å
425	E	97	Very high	98.1	Very high	65 Å²	65	17.4 Å²	17.4	30%	0.304	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.1	21.9	-178.3	-48.7	-74.3	145.3	0	0	114.1	C180 K187 L199 A421 T422	C180-E425 PolarHBondContact SG-O 2.91Å; K187-E425 HydrophobicContact CD-CG 4.38Å; K187-E425 WeakPolarHBondContact CD-OE1 3.49Å; K187-E425 IonicContact NZ-OE1 3.37Å; K187-E425 PolarHBondContact NZ-OE1 3.15Å; K187-E425 IonicContact NZ-OE2 2.71Å; K187-E425 PolarHBondContact NZ-OE2 3.38Å; L199-E425 HydrophobicContact CD1-CB 3.79Å; L199-E425 HydrophobicContact CD1-CG 4.07Å; A421-E425 PolarHBondContact O-N 2.7Å; T422-E425 PolarHBondContact O-N 2.87Å
426	Y	98.1	Very high	98.1	Very high	48 Å²	48	17.4 Å²	17.4	19%	0.188	9%	0.089	C	C	.	.			trans	-131.4	84.3	-176.7	-157	-97.7	0	0	0	111	P181 P204 W208 A421 F424 Y429	P181-Y426 HydrophobicContact CB-CG 4.07Å; P181-Y426 HydrophobicContact CG-CD1 4.36Å; P181-Y426 HydrophobicContact CG-CD2 4.43Å; P181-Y426 HydrophobicContact CG-CG 4.09Å; P204-Y426 WeakPolarHBondContact CG-OH 3.43Å; W208-Y426 HydrophobicContact CH2-CD1 4.19Å; W208-Y426 AromaticContact CH2-CE1 3.61Å; W208-Y426 HydrophobicContact CH2-CE1 3.61Å; W208-Y426 HydrophobicContact CZ3-CD1 4.38Å; W208-Y426 AromaticContact CZ3-CE1 3.74Å; W208-Y426 HydrophobicContact CZ3-CE1 3.74Å; W208-Y426 HydrophobicContact CZ3-CE2 4.47Å; W208-Y426 AromaticContact CZ3-CZ 3.8Å; A421-Y426 CarbonylContact C-O 3.5Å; A421-Y426 WeakPolarHBondContact CB-O 3.4Å; A421-Y426 CarbonylContact O-C 3.15Å; A421-Y426 PolarHBondContact O-N 2.94Å; F424-Y426 PolarHBondContact O-N 3.17Å; Y426-Y429 AromaticContact CD1-CD2 3.63Å; Y426-Y429 HydrophobicContact CD1-CD2 3.63Å; Y426-Y429 HydrophobicContact CD1-CE2 4.11Å; Y426-Y429 AromaticContact CD1-CG 3.97Å; Y426-Y429 HydrophobicContact CD1-CG 3.97Å; Y426-Y429 AromaticContact CE1-CD2 3.48Å; Y426-Y429 HydrophobicContact CE1-CD2 3.48Å; Y426-Y429 VanDerWaalsContact CE1-CD2 3.48Å; Y426-Y429 HydrophobicContact CE1-CE1 4.49Å; Y426-Y429 AromaticContact CE1-CE2 3.46Å; Y426-Y429 HydrophobicContact CE1-CE2 3.46Å; Y426-Y429 VanDerWaalsContact CE1-CE2 3.46Å; Y426-Y429 HydrophobicContact CE1-CG 4.07Å; Y426-Y429 AromaticContact CE1-CZ 3.99Å
427	P	98.1	Very high	98.1	Very high	70 Å²	70	18.2 Å²	18.2	46%	0.455	9%	0.094	S	C	.	.			trans	-61.4	170.1	-176.7	-22.5	34.2	0	0	0	113.8	Y429	P427-Y429 PolarHBondContact O-N 3.48Å
428	N	98.6	Very high	98.1	Very high	66 Å²	66	21.8 Å²	21.8	35%	0.353	11%	0.111	S	C	.	.	S	Bend	trans	61.9	20.1	178.2	-55.4	-10.8	0	0	0	114.2	I392 M394 D403	I392-N428 PolarHBondContact N-O 3.43Å; M394-N428 HydrophobicContact CG-CB 3.93Å; D403-N428 PolarHBondContact OD1-N 3.09Å
429	Y	98.8	Very high	98.1	Very high	39 Å²	39	28.2 Å²	28.2	15%	0.153	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	165.4	171.6	-81.1	-109.1	0	0	0	109.2	P204 W208 M389 V390 G391 D403 A421 Y426 P427	P204-Y429 WeakPolarHBondContact CG-OH 3.24Å; W208-Y429 HydrophobicContact CH2-CD1 4Å; W208-Y429 AromaticContact CH2-CE1 3.63Å; W208-Y429 HydrophobicContact CH2-CE1 3.63Å; W208-Y429 HydrophobicContact CZ2-CD1 4.07Å; W208-Y429 AromaticContact CZ2-CE1 3.69Å; W208-Y429 HydrophobicContact CZ2-CE1 3.69Å; M389-Y429 HydrophobicContact CB-CD1 4.28Å; M389-Y429 HydrophobicContact CE-CD1 4.23Å; M389-Y429 HydrophobicContact CE-CG 4.28Å; V390-Y429 VanDerWaalsContact C-CD1 3.41Å; V390-Y429 CarbonylContact O-C 3.5Å; V390-Y429 WeakPolarHBondContact O-CA 3.39Å; V390-Y429 WeakPolarHBondContact O-CD1 3.47Å; G391-Y429 VanDerWaalsContact N-CD1 3.28Å; D403-Y429 WeakPolarHBondContact CB-O 3.28Å; A421-Y429 VanDerWaalsContact CB-C 3.43Å; A421-Y429 VanDerWaalsContact CB-CB 3.5Å; A421-Y429 WeakPolarHBondContact CB-O 3.49Å; A421-Y429 PolarHBondContact N-O 3.16Å; Y426-Y429 AromaticContact CD1-CD2 3.63Å; Y426-Y429 HydrophobicContact CD1-CD2 3.63Å; Y426-Y429 HydrophobicContact CD1-CE2 4.11Å; Y426-Y429 AromaticContact CD1-CG 3.97Å; Y426-Y429 HydrophobicContact CD1-CG 3.97Å; Y426-Y429 AromaticContact CE1-CD2 3.48Å; Y426-Y429 HydrophobicContact CE1-CD2 3.48Å; Y426-Y429 VanDerWaalsContact CE1-CD2 3.48Å; Y426-Y429 HydrophobicContact CE1-CE1 4.49Å; Y426-Y429 AromaticContact CE1-CE2 3.46Å; Y426-Y429 HydrophobicContact CE1-CE2 3.46Å; Y426-Y429 VanDerWaalsContact CE1-CE2 3.46Å; Y426-Y429 HydrophobicContact CE1-CG 4.07Å; Y426-Y429 AromaticContact CE1-CZ 3.99Å; P427-Y429 PolarHBondContact O-N 3.48Å
430	F	98.8	Very high	98.1	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	153.9	162.6	60.1	-90.9	0	0	0	110.9	L377 V390 I392 F406 T407 C418 L419 I432	L377-F430 HydrophobicContact CD1-CZ 4.41Å; L377-F430 HydrophobicContact CD2-CE1 4.03Å; L377-F430 HydrophobicContact CD2-CZ 4.42Å; V390-F430 HydrophobicContact CB-CD1 4.29Å; V390-F430 HydrophobicContact CB-CD2 4.15Å; V390-F430 HydrophobicContact CB-CE1 3.84Å; V390-F430 HydrophobicContact CB-CE2 3.72Å; V390-F430 HydrophobicContact CB-CG 4.45Å; V390-F430 HydrophobicContact CB-CZ 3.55Å; V390-F430 HydrophobicContact CG1-CE1 3.87Å; V390-F430 HydrophobicContact CG1-CE2 4.25Å; V390-F430 HydrophobicContact CG1-CZ 3.61Å; V390-F430 HydrophobicContact CG2-CD2 4.31Å; V390-F430 HydrophobicContact CG2-CE2 3.76Å; V390-F430 HydrophobicContact CG2-CZ 3.99Å; V390-F430 PolarHBondContact N-O 3.36Å; V390-F430 PolarHBondContact O-N 3.27Å; I392-F430 HydrophobicContact CD1-CD1 3.86Å; I392-F430 HydrophobicContact CD1-CE1 4.37Å; I392-F430 HydrophobicContact CG1-CD1 3.77Å; I392-F430 HydrophobicContact CG1-CE1 3.95Å; F406-F430 HydrophobicContact CE1-CE1 4.08Å; T407-F430 HydrophobicContact CG2-CB 3.99Å; T407-F430 HydrophobicContact CG2-CG 4.47Å; C418-F430 HydrophobicContact CB-CB 4.18Å; C418-F430 HydrophobicContact CB-CD2 3.45Å; C418-F430 VanDerWaalsContact CB-CD2 3.45Å; C418-F430 HydrophobicContact CB-CE2 4.07Å; C418-F430 HydrophobicContact CB-CG 4.04Å; L419-F430 CarbonylContact O-C 3.3Å; L419-F430 VanDerWaalsContact O-CA 3.3Å; L419-F430 WeakPolarHBondContact O-CA 3.39Å; L419-F430 WeakPolarHBondContact O-CB 3.27Å; F430-I432 HydrophobicContact CD2-CD1 4.47Å; F430-I432 HydrophobicContact CD2-CG1 3.99Å; F430-I432 HydrophobicContact CE2-CD1 3.83Å; F430-I432 HydrophobicContact CE2-CG1 3.85Å
431	R	98.8	Very high	98.1	Very high	9 Å²	9	30.1 Å²	30.1	3%	0.034	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	135	176.4	-169.3	-164.3	72.1	180	-4.3	110.6	S91 N233 P234 Y387 M389 L419 F424	S91-R431 PolarHBondContact O-NH2 3.23Å; N233-R431 PolarHBondContact OD1-NH1 3.33Å; P234-R431 HydrophobicContact CB-CB 4.3Å; P234-R431 HydrophobicContact CB-CG 3.8Å; Y387-R431 HydrophobicContact CD1-CG 4.36Å; Y387-R431 HydrophobicContact CG-CG 4.44Å; M389-R431 HydrophobicContact SD-CB 3.8Å; M389-R431 HydrophobicContact SD-CG 4.16Å; L419-R431 HydrophobicContact CB-CB 4.48Å; L419-R431 PolarHBondContact N-O 3Å; L419-R431 VanDerWaalsContact N-O 3.12Å; L419-R431 PolarHBondContact O-N 3.45Å; F424-R431 HydrophobicContact CE2-CB 3.87Å; F424-R431 HydrophobicContact CE2-CG 4.45Å
432	I	98.7	Very high	98.1	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	138.8	167.7	-66.1	179.3	0	0	0	109.4	L90 L371 Y387 L388 V390 F430 M441 I448	L90-I432 HydrophobicContact CB-CG2 4.29Å; L90-I432 HydrophobicContact CD1-CD1 4.36Å; L90-I432 HydrophobicContact CD1-CG1 4.32Å; L90-I432 HydrophobicContact CD1-CG2 4.07Å; L371-I432 HydrophobicContact CD1-CD1 3.45Å; L371-I432 VanDerWaalsContact CD1-CD1 3.45Å; Y387-I432 VanDerWaalsContact CA-O 3.3Å; Y387-I432 WeakPolarHBondContact CA-O 3.44Å; L388-I432 HydrophobicContact CD1-CB 4.35Å; L388-I432 HydrophobicContact CD1-CD1 4.44Å; L388-I432 HydrophobicContact CG-CB 4.26Å; L388-I432 PolarHBondContact N-O 2.92Å; L388-I432 VanDerWaalsContact N-O 3.07Å; L388-I432 PolarHBondContact O-N 3.41Å; V390-I432 HydrophobicContact CG2-CD1 4.12Å; F430-I432 HydrophobicContact CD2-CD1 4.47Å; F430-I432 HydrophobicContact CD2-CG1 3.99Å; F430-I432 HydrophobicContact CE2-CD1 3.83Å; F430-I432 HydrophobicContact CE2-CG1 3.85Å; I432-M441 HydrophobicContact CG2-CE 3.9Å; I432-M441 HydrophobicContact CG2-SD 4.46Å; I432-I448 HydrophobicContact CD1-CD1 4.4Å
433	V	98.4	Very high	98.1	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.006	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	137.7	163.4	-51.1	0	0	0	0	110.7	L90 I92 M386 Y387 V436 M441	L90-V433 WeakPolarHBondContact O-CG1 3.4Å; L90-V433 WeakPolarHBondContact O-CG2 3.26Å; L90-V433 PolarHBondContact O-N 2.9Å; I92-V433 WeakPolarHBondContact O-CG1 3.44Å; M386-V433 WeakPolarHBondContact O-CA 3.47Å; Y387-V433 HydrophobicContact CD1-CB 4.3Å; Y387-V433 HydrophobicContact CD1-CG1 3.75Å; Y387-V433 HydrophobicContact CE1-CB 4.42Å; Y387-V433 HydrophobicContact CE1-CG1 3.69Å; V433-V436 HydrophobicContact CG2-CG1 4.08Å; V433-M441 WeakPolarHBondContact O-CE 3.45Å
434	V	98.1	Very high	98.3	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.178	C	C	.	.	S	Bend	trans	-99.5	19.6	178.4	-63.3	0	0	0	0	112.8	L360 N363 S364 M386 L388 M441	L360-V434 HydrophobicContact CD2-CG2 4.05Å; N363-V434 HydrophobicContact CB-CB 4.43Å; N363-V434 VanDerWaalsContact ND2-C 3.33Å; N363-V434 PolarHBondContact ND2-O 3.34Å; S364-V434 WeakPolarHBondContact OG-CG2 3.36Å; M386-V434 VanDerWaalsContact C-CG2 3.43Å; M386-V434 WeakPolarHBondContact O-CG2 3.5Å; M386-V434 PolarHBondContact O-N 3.37Å; L388-V434 HydrophobicContact CD2-CG1 3.49Å; L388-V434 VanDerWaalsContact CD2-CG1 3.49Å; L388-V434 HydrophobicContact CG-CG1 4.33Å; V434-M441 HydrophobicContact CB-CE 4.48Å; V434-M441 HydrophobicContact CG1-CE 4.24Å
435	T	98.4	Very high	98.4	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.012	18%	0.178	C	C	.	.			trans	-94.4	-11.7	-177	51.9	0	0	0	0	113.5	P95 N100 L101 L360 M386	P95-T435 HydrophobicContact CB-CG2 3.94Å; N100-T435 PolarHBondContact ND2-O 2.99Å; L101-T435 HydrophobicContact CD1-CG2 4.03Å; L360-T435 HydrophobicContact CD2-CG2 3.78Å; M386-T435 HydrophobicContact CB-CG2 3.91Å; M386-T435 HydrophobicContact CG-CG2 4.02Å; M386-T435 HydrophobicContact SD-CG2 4.06Å
436	V	98.1	Very high	98.4	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.183	C	C	.	.	S	Bend	trans	-66.5	153.4	177	-55.8	0	0	0	0	110.9	L90 F98 F359 N363 V433 M440 M441	L90-V436 HydrophobicContact CD2-CB 4.39Å; L90-V436 HydrophobicContact CD2-CG1 3.73Å; L90-V436 HydrophobicContact CD2-CG2 3.79Å; F98-V436 HydrophobicContact CD2-CG1 4.19Å; F98-V436 HydrophobicContact CE2-CB 4.33Å; F98-V436 HydrophobicContact CE2-CG1 3.55Å; F98-V436 HydrophobicContact CZ-CG1 3.95Å; F359-V436 WeakPolarHBondContact CZ-O 3.43Å; N363-V436 PolarHBondContact ND2-O 3.47Å; V433-V436 HydrophobicContact CG2-CG1 4.08Å; V436-M440 HydrophobicContact CB-CB 4.37Å; V436-M440 HydrophobicContact CB-CG 4.28Å; V436-M440 HydrophobicContact CB-SD 3.92Å; V436-M440 HydrophobicContact CG1-SD 4.15Å; V436-M440 HydrophobicContact CG2-CB 4.38Å; V436-M440 HydrophobicContact CG2-CG 4.42Å; V436-M441 HydrophobicContact CG2-CB 3.98Å; V436-M441 HydrophobicContact CG2-CE 3.91Å
437	P	98.3	Very high	98.5	Very high	17 Å²	17	33.4 Å²	33.4	11%	0.11	18%	0.177	C	C	.	.			trans	-51	149.3	172.7	-26	34.7	0	0	0	112.7	F98 N100 E439 M440 M441	F98-P437 HydrophobicContact CB-CG 4.21Å; N100-P437 HydrophobicContact CB-CG 4.22Å; P437-E439 VanDerWaalsContact C-N 3.33Å; P437-E439 VanDerWaalsContact CB-CD 3.44Å; P437-E439 HydrophobicContact CB-CG 4.43Å; P437-E439 WeakPolarHBondContact CB-OE1 3.42Å; P437-E439 WeakPolarHBondContact CB-OE2 3.33Å; P437-E439 PolarHBondContact O-N 3.38Å; P437-M440 HydrophobicContact CB-CB 4.35Å; P437-M440 WeakPolarHBondContact O-CA 3.42Å; P437-M440 WeakPolarHBondContact O-CB 3.22Å; P437-M440 PolarHBondContact O-N 2.88Å; P437-M441 PolarHBondContact O-N 3Å
438	E	97.9	Very high	98.5	Very high	91 Å²	91	30 Å²	30	43%	0.425	16%	0.155	S	C	.	.	H	α-helix	trans	-58.9	-45	-173.8	-175.4	178.4	120.3	0	0	111.7	I366 M440 M441 V442	I366-E438 HydrophobicContact CD1-CG 3.47Å; I366-E438 VanDerWaalsContact CD1-CG 3.47Å; E438-M440 PolarHBondContact O-N 3.49Å; E438-M441 WeakPolarHBondContact O-CB 3.39Å; E438-M441 PolarHBondContact O-N 3.27Å; E438-V442 WeakPolarHBondContact O-CG2 3.41Å; E438-V442 PolarHBondContact O-N 3.47Å
439	E	97.9	Very high	98.5	Very high	136 Å²	136	30.3 Å²	30.3	64%	0.636	15%	0.151	S	C	*	.	H	α-helix	trans	-59.3	-35.8	177.2	65.2	-80.6	-168.7	0	0	112.4	P437 E443	P437-E439 VanDerWaalsContact C-N 3.33Å; P437-E439 VanDerWaalsContact CB-CD 3.44Å; P437-E439 HydrophobicContact CB-CG 4.43Å; P437-E439 WeakPolarHBondContact CB-OE1 3.42Å; P437-E439 WeakPolarHBondContact CB-OE2 3.33Å; P437-E439 PolarHBondContact O-N 3.38Å; E439-E443 WeakPolarHBondContact O-CB 3.33Å; E439-E443 PolarHBondContact O-N 3.48Å
440	M	98.2	Very high	98.5	Very high	43 Å²	43	31.9 Å²	31.9	21%	0.212	16%	0.16	C	C	.	.	H	α-helix	trans	-72.9	-36	176.7	-174.3	178.8	-64.2	0	0	111.2	I88 F98 V436 P437 E438 A444	I88-M440 HydrophobicContact CB-CG 4.34Å; I88-M440 HydrophobicContact CD1-CG 4.24Å; I88-M440 HydrophobicContact CG1-CG 4.08Å; I88-M440 HydrophobicContact CG2-CG 3.43Å; I88-M440 VanDerWaalsContact CG2-CG 3.43Å; I88-M440 HydrophobicContact CG2-SD 3.82Å; F98-M440 HydrophobicContact CD1-CE 3.91Å; F98-M440 HydrophobicContact CD1-SD 4.17Å; F98-M440 HydrophobicContact CE1-CE 3.83Å; F98-M440 HydrophobicContact CE1-SD 3.68Å; F98-M440 HydrophobicContact CZ-SD 4Å; V436-M440 HydrophobicContact CB-CB 4.37Å; V436-M440 HydrophobicContact CB-CG 4.28Å; V436-M440 HydrophobicContact CB-SD 3.92Å; V436-M440 HydrophobicContact CG1-SD 4.15Å; V436-M440 HydrophobicContact CG2-CB 4.38Å; V436-M440 HydrophobicContact CG2-CG 4.42Å; P437-M440 HydrophobicContact CB-CB 4.35Å; P437-M440 WeakPolarHBondContact O-CA 3.42Å; P437-M440 WeakPolarHBondContact O-CB 3.22Å; P437-M440 PolarHBondContact O-N 2.88Å; E438-M440 PolarHBondContact O-N 3.49Å; M440-A444 VanDerWaalsContact O-CB 3.26Å; M440-A444 WeakPolarHBondContact O-CB 3.46Å; M440-A444 PolarHBondContact O-N 3.03Å
441	M	98.6	Very high	98.5	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-65	-47	173.7	-178.4	58.2	77.4	0	0	111.5	N363 I366 C367 I432 V433 V434 V436 P437 E438 E443 A444 C445	N363-M441 WeakPolarHBondContact OD1-CB 3.45Å; N363-M441 WeakPolarHBondContact OD1-CG 3.45Å; I366-M441 HydrophobicContact CG2-CG 4.19Å; C367-M441 HydrophobicContact CB-CE 4.05Å; C367-M441 HydrophobicContact CB-CG 4.11Å; C367-M441 HydrophobicContact CB-SD 3.61Å; C367-M441 VanDerWaalsContact SG-SD 3.63Å; I432-M441 HydrophobicContact CG2-CE 3.9Å; I432-M441 HydrophobicContact CG2-SD 4.46Å; V433-M441 WeakPolarHBondContact O-CE 3.45Å; V434-M441 HydrophobicContact CB-CE 4.48Å; V434-M441 HydrophobicContact CG1-CE 4.24Å; V436-M441 HydrophobicContact CG2-CB 3.98Å; V436-M441 HydrophobicContact CG2-CE 3.91Å; P437-M441 PolarHBondContact O-N 3Å; E438-M441 WeakPolarHBondContact O-CB 3.39Å; E438-M441 PolarHBondContact O-N 3.27Å; M441-E443 PolarHBondContact O-N 3.3Å; M441-A444 PolarHBondContact O-N 3.48Å; M441-C445 WeakPolarHBondContact O-CB 3.37Å; M441-C445 PolarHBondContact O-N 3.48Å; M441-C445 PolarHBondContact O-SG 3.5Å
442	V	98.6	Very high	98.5	Very high	66 Å²	66	31.5 Å²	31.5	40%	0.4	16%	0.159	S	C	.	.	H	α-helix	trans	-59.3	-48.1	177.6	172.1	0	0	0	0	110.6	I366 E438 A444 C445 A446	I366-V442 HydrophobicContact CG2-CG2 3.87Å; E438-V442 WeakPolarHBondContact O-CG2 3.41Å; E438-V442 PolarHBondContact O-N 3.47Å; V442-A444 PolarHBondContact O-N 3.38Å; V442-C445 PolarHBondContact O-N 3.31Å; V442-A446 PolarHBondContact O-N 3.02Å
443	E	98.7	Very high	98.4	Very high	93 Å²	93	37.7 Å²	37.7	44%	0.435	19%	0.188	S	C	.	.	H	α-helix	trans	-62	-44.1	177.6	-178.1	171.1	-173.9	0	0	112.1	I88 E439 M441 C445 A446 R447	I88-E443 HydrophobicContact CD1-CB 4.17Å; I88-E443 HydrophobicContact CD1-CG 3.87Å; E439-E443 WeakPolarHBondContact O-CB 3.33Å; E439-E443 PolarHBondContact O-N 3.48Å; M441-E443 PolarHBondContact O-N 3.3Å; E443-C445 PolarHBondContact O-N 2.95Å; E443-A446 PolarHBondContact O-N 3.06Å; E443-R447 WeakPolarHBondContact O-CG 3.2Å; E443-R447 PolarHBondContact O-N 2.98Å; E443-R447 IonicContact OE1-CZ 3.67Å; E443-R447 VanDerWaalsContact OE1-CZ 3.31Å; E443-R447 IonicContact OE1-NE 3.48Å; E443-R447 PolarHBondContact OE1-NE 3.43Å; E443-R447 IonicContact OE1-NH2 2.74Å; E443-R447 PolarHBondContact OE1-NH2 3.04Å
444	A	98.6	Very high	98.4	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-63.1	-42.5	178.5	0	0	0	0	0	112.2	I88 L90 V416 M440 M441 V442 A446 R447 I448	I88-A444 HydrophobicContact CD1-CB 4.22Å; I88-A444 HydrophobicContact CG2-CB 3.94Å; L90-A444 HydrophobicContact CD1-CB 3.75Å; L90-A444 HydrophobicContact CD2-CB 4.45Å; L90-A444 HydrophobicContact CG-CB 4.38Å; V416-A444 HydrophobicContact CG1-CB 4.18Å; V416-A444 HydrophobicContact CG2-CB 4.41Å; M440-A444 VanDerWaalsContact O-CB 3.26Å; M440-A444 WeakPolarHBondContact O-CB 3.46Å; M440-A444 PolarHBondContact O-N 3.03Å; M441-A444 PolarHBondContact O-N 3.48Å; V442-A444 PolarHBondContact O-N 3.38Å; A444-A446 VanDerWaalsContact C-N 3.34Å; A444-A446 PolarHBondContact O-N 2.92Å; A444-R447 PolarHBondContact O-N 3.13Å; A444-I448 VanDerWaalsContact O-CG1 3.26Å; A444-I448 WeakPolarHBondContact O-CG1 3.45Å; A444-I448 PolarHBondContact O-N 3.36Å
445	C	98.8	Very high	98.4	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.007	21%	0.209	C	C	.	.	H	α-helix	trans	-62.2	-41.1	176.4	-67.7	0	0	0	0	111.7	E370 L371 M441 V442 E443 R447 I448 R449	E370-C445 HydrophobicContact CB-CB 3.69Å; E370-C445 HydrophobicContact CG-CB 4.13Å; L371-C445 HydrophobicContact CD2-CB 4.28Å; M441-C445 WeakPolarHBondContact O-CB 3.37Å; M441-C445 PolarHBondContact O-N 3.48Å; M441-C445 PolarHBondContact O-SG 3.5Å; V442-C445 PolarHBondContact O-N 3.31Å; E443-C445 PolarHBondContact O-N 2.95Å; C445-R447 PolarHBondContact O-N 3.2Å; C445-I448 PolarHBondContact O-N 3.21Å; C445-R449 WeakPolarHBondContact O-CB 3.38Å; C445-R449 PolarHBondContact O-N 3.05Å
446	A	98.8	Very high	98.4	Very high	51 Å²	51	46 Å²	46	42%	0.421	22%	0.22	S	C	.	.	H	α-helix	trans	-62.1	-42.7	175.4	0	0	0	0	0	112	V442 E443 A444 R449 E450	V442-A446 PolarHBondContact O-N 3.02Å; E443-A446 PolarHBondContact O-N 3.06Å; A444-A446 VanDerWaalsContact C-N 3.34Å; A444-A446 PolarHBondContact O-N 2.92Å; A446-R449 WeakPolarHBondContact O-CB 3.17Å; A446-R449 PolarHBondContact O-N 2.8Å; A446-E450 PolarHBondContact O-N 3.2Å
447	R	98.8	Very high	98.3	Very high	16 Å²	16	50.9 Å²	50.9	6%	0.06	24%	0.238	C	C	.	.	H	α-helix	trans	-67.6	-39.1	176.9	-70.6	-175.8	-172.7	-173.6	8.7	112.9	P86 Q414 V416 E443 A444 C445 R449 E450 F451	P86-R447 PolarHBondContact O-NH1 2.9Å; P86-R447 PolarHBondContact O-NH2 3.27Å; Q414-R447 HydrophobicContact CB-CB 4.14Å; Q414-R447 HydrophobicContact CG-CB 4.4Å; Q414-R447 WeakPolarHBondContact O-CD 3.36Å; Q414-R447 PolarHBondContact O-NH1 3.26Å; V416-R447 HydrophobicContact CG2-CB 3.85Å; V416-R447 HydrophobicContact CG2-CG 4.48Å; E443-R447 WeakPolarHBondContact O-CG 3.2Å; E443-R447 PolarHBondContact O-N 2.98Å; E443-R447 IonicContact OE1-CZ 3.67Å; E443-R447 VanDerWaalsContact OE1-CZ 3.31Å; E443-R447 IonicContact OE1-NE 3.48Å; E443-R447 PolarHBondContact OE1-NE 3.43Å; E443-R447 IonicContact OE1-NH2 2.74Å; E443-R447 PolarHBondContact OE1-NH2 3.04Å; A444-R447 PolarHBondContact O-N 3.13Å; C445-R447 PolarHBondContact O-N 3.2Å; R447-R449 VanDerWaalsContact C-N 3.34Å; R447-E450 PolarHBondContact O-N 2.79Å; R447-F451 PolarHBondContact O-N 3.35Å
448	I	98.8	Very high	97.9	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-61.9	-43.7	173.4	-69.8	163.5	0	0	0	110.3	L90 L371 L377 L410 V416 I432 A444 C445 F451 C452	L90-I448 HydrophobicContact CD1-CD1 4.41Å; L371-I448 HydrophobicContact CD2-CB 4.1Å; L371-I448 HydrophobicContact CD2-CD1 4.27Å; L371-I448 HydrophobicContact CD2-CG2 3.74Å; L377-I448 HydrophobicContact CD1-CG2 3.73Å; L410-I448 HydrophobicContact CD1-CG1 4.13Å; L410-I448 HydrophobicContact CD2-CG1 4.02Å; V416-I448 HydrophobicContact CG1-CD1 4.17Å; V416-I448 HydrophobicContact CG1-CG1 4.17Å; I432-I448 HydrophobicContact CD1-CD1 4.4Å; A444-I448 VanDerWaalsContact O-CG1 3.26Å; A444-I448 WeakPolarHBondContact O-CG1 3.45Å; A444-I448 PolarHBondContact O-N 3.36Å; C445-I448 PolarHBondContact O-N 3.21Å; I448-F451 PolarHBondContact O-N 2.88Å; I448-C452 PolarHBondContact O-N 2.97Å; I448-C452 PolarHBondContact O-SG 2.95Å
449	R	98.8	Very high	96.9	Very high	71 Å²	71	54.5 Å²	54.5	27%	0.268	27%	0.27	S	S	.	.	H	α-helix	trans	-59.2	-47.9	175.3	-178.8	-169.6	-56	-132.6	6.5	111.7	E370 T373 V374 C445 A446 R447 F451 C452 Q453	E370-R449 IonicContact OE1-NH2 2.76Å; E370-R449 IonicContact OE2-CZ 2.67Å; E370-R449 IonicContact OE2-NH2 2.65Å; E370-R449 PolarHBondContact OE2-NH2 3.03Å; T373-R449 VanDerWaalsContact OG1-CZ 3.3Å; T373-R449 PolarHBondContact OG1-NH1 2.83Å; T373-R449 PolarHBondContact OG1-NH2 3.28Å; T373-R449 VanDerWaalsContact OG1-NH2 3.13Å; V374-R449 HydrophobicContact CG2-CB 3.85Å; V374-R449 HydrophobicContact CG2-CG 4.01Å; C445-R449 WeakPolarHBondContact O-CB 3.38Å; C445-R449 PolarHBondContact O-N 3.05Å; A446-R449 WeakPolarHBondContact O-CB 3.17Å; A446-R449 PolarHBondContact O-N 2.8Å; R447-R449 VanDerWaalsContact C-N 3.34Å; R449-F451 VanDerWaalsContact C-N 3.33Å; R449-F451 PolarHBondContact O-N 2.94Å; R449-C452 PolarHBondContact O-N 2.93Å; R449-Q453 WeakPolarHBondContact O-CB 3.21Å; R449-Q453 VanDerWaalsContact O-CG 3.28Å; R449-Q453 WeakPolarHBondContact O-CG 3.38Å; R449-Q453 PolarHBondContact O-N 2.84Å
450	E	98.6	Very high	95.3	Very high	73 Å²	73	53.5 Å²	53.5	34%	0.341	28%	0.279	S	S	.	.	H	α-helix	trans	-58.5	-44.3	177.4	-170.2	-157.2	126	0	0	111.6	K85 Q414 A446 R447 R454	K85-E450 IonicContact NZ-OE1 2.64Å; K85-E450 PolarHBondContact NZ-OE1 2.73Å; K85-E450 IonicContact NZ-OE2 3.27Å; K85-E450 PolarHBondContact NZ-OE2 3.42Å; Q414-E450 PolarHBondContact NE2-OE1 2.97Å; A446-E450 PolarHBondContact O-N 3.2Å; R447-E450 PolarHBondContact O-N 2.79Å; E450-R454 PolarHBondContact O-N 2.81Å; E450-R454 IonicContact OE1-CZ 2.66Å; E450-R454 IonicContact OE1-NH2 2.62Å; E450-R454 PolarHBondContact OE1-NH2 3.49Å
451	F	98.7	Very high	93.1	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-60.7	-51.5	175.3	175.8	-101.4	0	0	0	111.8	F400 F406 H409 L410 E413 Q414 R447 I448 R449 Q453 R454 H455	F400-F451 HydrophobicContact CE1-CZ 4.33Å; F400-F451 HydrophobicContact CE2-CE1 4.07Å; F400-F451 AromaticContact CE2-CZ 3.79Å; F400-F451 HydrophobicContact CE2-CZ 3.79Å; F400-F451 HydrophobicContact CZ-CE1 4.2Å; F400-F451 HydrophobicContact CZ-CE2 4.17Å; F400-F451 AromaticContact CZ-CZ 3.45Å; F400-F451 HydrophobicContact CZ-CZ 3.45Å; F400-F451 VanDerWaalsContact CZ-CZ 3.45Å; F406-F451 HydrophobicContact CD1-CE1 4.23Å; F406-F451 HydrophobicContact CD2-CE1 4.19Å; F406-F451 HydrophobicContact CE1-CD1 4.32Å; F406-F451 AromaticContact CE1-CE1 3.85Å; F406-F451 HydrophobicContact CE1-CE1 3.85Å; F406-F451 AromaticContact CE2-CE1 3.82Å; F406-F451 HydrophobicContact CE2-CE1 3.82Å; F406-F451 HydrophobicContact CG-CE1 4.38Å; F406-F451 HydrophobicContact CZ-CD1 4.01Å; F406-F451 AromaticContact CZ-CE1 3.63Å; F406-F451 HydrophobicContact CZ-CE1 3.63Å; H409-F451 HydrophobicContact CB-CE2 3.97Å; H409-F451 HydrophobicContact CB-CZ 3.89Å; L410-F451 HydrophobicContact CB-CD1 4.46Å; L410-F451 HydrophobicContact CB-CE1 4.27Å; L410-F451 HydrophobicContact CB-CZ 4.33Å; L410-F451 HydrophobicContact CD1-CB 3.8Å; L410-F451 HydrophobicContact CD1-CD1 3.81Å; L410-F451 HydrophobicContact CD1-CD2 4.3Å; L410-F451 HydrophobicContact CD1-CE1 4.45Å; L410-F451 HydrophobicContact CD1-CG 3.71Å; E413-F451 HydrophobicContact CB-CD2 4.31Å; Q414-F451 HydrophobicContact CG-CB 3.77Å; Q414-F451 HydrophobicContact CG-CD2 4.4Å; Q414-F451 HydrophobicContact CG-CG 4.44Å; R447-F451 PolarHBondContact O-N 3.35Å; I448-F451 PolarHBondContact O-N 2.88Å; R449-F451 VanDerWaalsContact C-N 3.33Å; R449-F451 PolarHBondContact O-N 2.94Å; F451-Q453 VanDerWaalsContact C-N 3.32Å; F451-Q453 PolarHBondContact O-N 2.76Å; F451-R454 WeakPolarHBondContact O-CB 3.4Å; F451-R454 PolarHBondContact O-N 3.48Å; F451-R454 VanDerWaalsContact O-N 3.09Å; F451-H455 AromaticContact CD2-CD2 3.54Å; F451-H455 AromaticContact CD2-NE2 3.7Å; F451-H455 AromaticContact CE2-CD2 3.39Å; F451-H455 WeakPolarHBondContact CE2-CD2 3.37Å; F451-H455 AromaticContact CE2-NE2 3.43Å; F451-H455 WeakPolarHBondContact CE2-NE2 3.41Å; F451-H455 AromaticContact CZ-CD2 3.82Å; F451-H455 PolarHBondContact O-CD2 3.48Å; F451-H455 VanDerWaalsContact O-CD2 3.23Å; F451-H455 PolarHBondContact O-N 3.28Å
452	C	98.6	Very high	90.5	Very high	1 Å²	1	66.7 Å²	66.7	1%	0.007	35%	0.345	C	S	.	.	H	α-helix	trans	-61.8	-41.6	-179.4	-63.7	0	0	0	0	111.3	V374 F397 I448 R449 R454 H455 Y456	V374-C452 HydrophobicContact CG1-CB 3.34Å; F397-C452 HydrophobicContact CE1-CB 4.15Å; F397-C452 HydrophobicContact CZ-CB 4.21Å; I448-C452 PolarHBondContact O-N 2.97Å; I448-C452 PolarHBondContact O-SG 2.95Å; R449-C452 PolarHBondContact O-N 2.93Å; C452-R454 PolarHBondContact O-N 2.92Å; C452-H455 PolarHBondContact O-N 2.64Å; C452-Y456 WeakPolarHBondContact O-CB 3.46Å; C452-Y456 PolarHBondContact O-N 3.1Å
453	Q	97.6	Very high	87.9	Confident	130 Å²	130	68.7 Å²	68.7	61%	0.607	36%	0.362	S	S	*	.	H	α-helix	trans	-58.1	-32.2	176.6	-76.1	174.6	-10.8	0	0	113.3	R449 F451	R449-Q453 WeakPolarHBondContact O-CB 3.21Å; R449-Q453 VanDerWaalsContact O-CG 3.28Å; R449-Q453 WeakPolarHBondContact O-CG 3.38Å; R449-Q453 PolarHBondContact O-N 2.84Å; F451-Q453 VanDerWaalsContact C-N 3.32Å; F451-Q453 PolarHBondContact O-N 2.76Å
454	R	97.8	Very high	85.1	Confident	109 Å²	109	72 Å²	72	41%	0.411	38%	0.382	S	S	.	.	H	α-helix	trans	-73.6	-43.3	177.6	-176.5	-179	-61.1	140.5	7.8	112.4	E413 E450 F451 C452 R457	E413-R454 IonicContact OE2-CZ 3.28Å; E413-R454 IonicContact OE2-NH1 3.31Å; E413-R454 PolarHBondContact OE2-NH1 3.03Å; E450-R454 PolarHBondContact O-N 2.81Å; E450-R454 IonicContact OE1-CZ 2.66Å; E450-R454 IonicContact OE1-NH2 2.62Å; E450-R454 PolarHBondContact OE1-NH2 3.49Å; F451-R454 WeakPolarHBondContact O-CB 3.4Å; F451-R454 PolarHBondContact O-N 3.48Å; F451-R454 VanDerWaalsContact O-N 3.09Å; C452-R454 PolarHBondContact O-N 2.92Å; R454-R457 PolarHBondContact O-NH1 3.21Å
455	H	98.1	Very high	82.5	Confident	10 Å²	10	80.7 Å²	80.7	5%	0.046	42%	0.423	C	S	.	.	H	α-helix	trans	-96.5	-15	-172	-63.7	-78.1	0	0	0	114.3	F397 E399 F400 E413 F451 C452	F397-H455 HydrophobicContact CD1-CB 4.02Å; E399-H455 IonicContact OE2-CE1 2.7Å; E399-H455 PolarHBondContact OE2-CE1 2.91Å; E399-H455 IonicContact OE2-CG 2.76Å; E399-H455 IonicContact OE2-ND1 3.85Å; E399-H455 PolarHBondContact OE2-ND1 3.02Å; F400-H455 HydrophobicContact CE2-CB 3.86Å; F400-H455 HydrophobicContact CZ-CB 4.05Å; F400-H455 AromaticContact CZ-CG 3.67Å; F400-H455 AromaticContact CZ-ND1 3.71Å; E413-H455 IonicContact OE1-CE1 3.25Å; E413-H455 PolarHBondContact OE1-CE1 2.8Å; E413-H455 IonicContact OE1-NE2 2.65Å; E413-H455 PolarHBondContact OE1-NE2 3.27Å; E413-H455 IonicContact OE2-CE1 3.79Å; E413-H455 IonicContact OE2-NE2 3.29Å; E413-H455 PolarHBondContact OE2-NE2 3.5Å; E413-H455 VanDerWaalsContact OE2-NE2 3.12Å; F451-H455 AromaticContact CD2-CD2 3.54Å; F451-H455 AromaticContact CD2-NE2 3.7Å; F451-H455 AromaticContact CE2-CD2 3.39Å; F451-H455 WeakPolarHBondContact CE2-CD2 3.37Å; F451-H455 AromaticContact CE2-NE2 3.43Å; F451-H455 WeakPolarHBondContact CE2-NE2 3.41Å; F451-H455 AromaticContact CZ-CD2 3.82Å; F451-H455 PolarHBondContact O-CD2 3.48Å; F451-H455 VanDerWaalsContact O-CD2 3.23Å; F451-H455 PolarHBondContact O-N 3.28Å; C452-H455 PolarHBondContact O-N 2.64Å
456	Y	97.9	Very high	79.9	Confident	57 Å²	57	88.7 Å²	88.7	22%	0.224	47%	0.465	C	S	.	.			trans	-63.6	136.3	179.8	-174.6	-90.4	0	0	0	111.2	P375 H396 F397 C452 P458	P375-Y456 HydrophobicContact CB-CD1 4.43Å; P375-Y456 HydrophobicContact CB-CD2 3.88Å; P375-Y456 HydrophobicContact CB-CE1 4.22Å; P375-Y456 HydrophobicContact CB-CE2 3.64Å; P375-Y456 HydrophobicContact CB-CG 4.28Å; P375-Y456 WeakPolarHBondContact O-CD2 3.48Å; H396-Y456 HydrophobicContact CB-CD2 3.66Å; H396-Y456 HydrophobicContact CB-CE2 3.35Å; H396-Y456 AromaticContact CD2-CE2 3.91Å; H396-Y456 PolarHBondContact CE1-OH 3.19Å; H396-Y456 VanDerWaalsContact CE1-OH 3.27Å; H396-Y456 AromaticContact CG-CE2 3.42Å; H396-Y456 VanDerWaalsContact CG-CE2 3.42Å; H396-Y456 AromaticContact CG-CZ 3.69Å; H396-Y456 AromaticContact ND1-CE2 3.82Å; H396-Y456 AromaticContact ND1-CZ 3.58Å; H396-Y456 PolarHBondContact ND1-OH 3.31Å; H396-Y456 CarbonylContact O-C 3.54Å; H396-Y456 WeakPolarHBondContact O-CA 3.42Å; F397-Y456 HydrophobicContact CE1-CD2 4.24Å; F397-Y456 HydrophobicContact CZ-CD2 4.04Å; C452-Y456 WeakPolarHBondContact O-CB 3.46Å; C452-Y456 PolarHBondContact O-N 3.1Å; Y456-P458 HydrophobicContact CE1-CB 4.49Å; Y456-P458 HydrophobicContact CE1-CG 4.22Å
457	R	96.8	Very high	77.3	Confident	104 Å²	104	94.1 Å²	94.1	39%	0.392	49%	0.487	S	S	.	.			trans	-124.7	120.3	173.5	-59.2	-63.4	174.2	-104	-5.1	108.5	H396 P398 E399 R454	H396-R457 PolarHBondContact ND1-O 2.9Å; H396-R457 PolarHBondContact O-N 3.19Å; P398-R457 HydrophobicContact CG-CB 4.38Å; P398-R457 HydrophobicContact CG-CG 3.87Å; E399-R457 IonicContact OE1-CZ 3.7Å; E399-R457 IonicContact OE1-NH2 3.71Å; E399-R457 PolarHBondContact OE1-NH2 2.93Å; R454-R457 PolarHBondContact O-NH1 3.21Å
458	P	89.4	Confident	74.3	Confident	99 Å²	99	106.2 Å²	106.2	64%	0.643	54%	0.544	S	S	*	.			trans	-57.1	145.6	171.8	-20.6	31.4	0	0	0	110.3	Y456 S460	Y456-P458 HydrophobicContact CE1-CB 4.49Å; Y456-P458 HydrophobicContact CE1-CG 4.22Å; P458-S460 PolarHBondContact O-N 3.19Å
459	C	77.8	Confident	73.1	Confident	84 Å²	84	111.6 Å²	111.6	57%	0.568	57%	0.571	S	S	*	*			trans	-61.8	134.2	175	-147.6	0	0	0	0	108.9	Q461	C459-Q461 PolarHBondContact O-N 3.41Å
460	S	62.5	Low	71.7	Confident	116 Å²	116	113.7 Å²	113.7	81%	0.811	59%	0.587	S	S	*	*	S	Bend	trans	-79.8	69.9	176.6	41.5	0	0	0	0	110.1	P458	P458-S460 PolarHBondContact O-N 3.19Å
461	Q	52.3	Low	70.2	Confident	160 Å²	160	115.9 Å²	115.9	75%	0.748	60%	0.601	S	S	*	*			trans	-137	90.2	166.1	-71.3	-169	-13.9	0	0	107.5	C459	C459-Q461 PolarHBondContact O-N 3.41Å
462	D	45.8	Very low	68.6	Low	159 Å²	159	122.8 Å²	122.8	85%	0.85	64%	0.636	S	S	*	*			trans	169.9	52.2	153	-84.2	-15.2	0	0	0	110.7
463	S	42.2	Very low	66.7	Low	108 Å²	108	130.4 Å²	130.4	76%	0.755	68%	0.676	S	S	*	*	S	Bend	trans	-125.4	28.4	171	53.2	0	0	0	0	113
464	N	41.1	Very low	64.6	Low	162 Å²	162	130.4 Å²	130.4	87%	0.866	68%	0.68	S	S	*	*	S	Bend	trans	-127.7	14.3	176.2	-88.4	-10.7	0	0	0	115
465	E	44.3	Very low	62.3	Low	183 Å²	183	131.9 Å²	131.9	86%	0.855	70%	0.699	S	S	*	*	S	Bend	trans	-112.6	18.5	176	-78.3	-161.3	164	0	0	115.2
466	L	44	Very low	59.5	Low	170 Å²	170	141.3 Å²	141.3	89%	0.89	75%	0.75	S	S	*	*	S	Bend	trans	-120.9	16.9	176.9	-84.9	166.1	0	0	0	115.7
467	D	43.6	Very low	56.3	Low	165 Å²	165	148.3 Å²	148.3	88%	0.882	79%	0.794	S	S	*	*			trans	-132.2	68.7	168.4	-91.1	-24.3	0	0	0	110.7
468	Q	35.9	Very low	52.6	Low	270 Å²	270	152.4 Å²	152.4	100%	1.262	83%	0.83	S	S	*	*			trans	-145.2	0	153	-74.4	-161.9	0.7	0	0	111.6

Retrieved 468 of 468 residues in 3498.2 ms (Link to these results)

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