A0A096N5K0_PAPAN Loading...

Hydroxymethylglutaryl-CoA synthase

Catalyzes the condensation of acetyl-CoA with acetoacetyl-CoA to form HMG-CoA. Catalyzes the first irreversible step in ketogenesis, condensing acetyl-CoA to acetoacetyl-CoA to form HMG-CoA, which is converted by HMG-CoA reductase (HMGCR) into mevalonate.

AlphaFold DB , UniProt , Accession A0A096N5K0, Species PAPAN (Papio anubis, Olive baboon), Gene HMGCS2, Length 508 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	34.7	Very low	33.6	Very low	241 Å²	241	163.4 Å²	163.4	100%	1.187	82%	0.819	S	S	*	*				0	116.5	0	-93.4	175.7	153.9	0	0	108.4
2	Q	34.3	Very low	33.3	Very low	160 Å²	160	164 Å²	164	75%	0.748	83%	0.826	S	S	*	*			trans	34.6	138.8	142	-77.3	-176.9	10	0	0	119.6
3	R	31.1	Very low	33.3	Very low	205 Å²	205	164.2 Å²	164.2	77%	0.774	82%	0.822	S	S	*	*			cis	-172.7	139.4	27	-99.2	155.2	-167.4	-132.7	3.6	106.2
4	L	35.9	Very low	33.1	Very low	140 Å²	140	165.1 Å²	165.1	73%	0.733	83%	0.83	S	S	*	*				74.1	126	78.9	-88.5	166.1	0	0	0	118.1
5	L	33.2	Very low	33	Very low	144 Å²	144	162.9 Å²	162.9	75%	0.754	83%	0.828	S	S	*	*			trans	77.8	146.2	144.5	-58.8	160.9	0	0	0	118.5
6	T	33	Very low	32.9	Very low	119 Å²	119	166.8 Å²	166.8	73%	0.73	83%	0.829	S	S	*	*			cis	-174.6	169.9	-2.7	14	0	0	0	0	107.7
7	P	39.1	Very low	32.8	Very low	123 Å²	123	165.4 Å²	165.4	80%	0.799	83%	0.831	S	S	*	*			trans	-100.2	159.7	-175.1	37.9	-30.6	0	0	0	115
8	V	32.5	Very low	32.7	Very low	133 Å²	133	164.6 Å²	164.6	81%	0.806	83%	0.827	S	S	*	*			trans	-118	133.3	178.8	176.6	0	0	0	0	111.8
9	K	32.3	Very low	32.6	Very low	197 Å²	197	166.4 Å²	166.4	86%	0.857	83%	0.832	S	S	*	*			trans	-84.2	148	169.8	-81.8	176.4	170.9	177.5	0	111
10	H	31.2	Very low	32.6	Very low	187 Å²	187	167.6 Å²	167.6	87%	0.866	84%	0.835	S	S	*	*			trans	-124.1	134.5	161.7	-93.1	-9.9	0	0	0	112.8
11	I	31.8	Very low	32.7	Very low	148 Å²	148	164.2 Å²	164.2	76%	0.759	83%	0.834	S	S	*	*			trans	-104.3	145.8	174.7	-71.3	168.5	0	0	0	106.5
12	L	30.3	Very low	32.5	Very low	171 Å²	171	158.6 Å²	158.6	90%	0.895	82%	0.818	S	S	*	*			trans	-145.7	122.3	155.1	-107.2	144.2	0	0	0	111
13	Q	33.8	Very low	32.7	Very low	167 Å²	167	159 Å²	159	78%	0.78	82%	0.824	S	S	*	*			trans	-74.2	156.7	170.1	-70.1	170.7	-45	0	0	110.6
14	L	29.8	Very low	32.7	Very low	177 Å²	177	155.7 Å²	155.7	93%	0.927	83%	0.827	S	S	*	*			trans	-149.8	138	153.3	-105.6	155.5	0	0	0	111.4
15	T	31.5	Very low	32.8	Very low	131 Å²	131	155.2 Å²	155.2	80%	0.804	83%	0.832	S	S	*	*			trans	-95.6	151.5	-162.6	-38.4	0	0	0	0	112
16	R	31.6	Very low	33.2	Very low	225 Å²	225	152.8 Å²	152.8	85%	0.849	83%	0.833	S	S	*	*			trans	-56.9	146.7	175.6	-96.6	173.8	167.4	174.9	-4.3	114.6
17	V	30.8	Very low	33.5	Very low	143 Å²	143	158.7 Å²	158.7	87%	0.867	84%	0.842	S	S	*	*			trans	-128.5	128.7	148.5	177	0	0	0	0	108.3
18	M	32	Very low	33.5	Very low	152 Å²	152	161.1 Å²	161.1	75%	0.749	85%	0.847	S	S	*	*			trans	-86.9	143.9	176.7	-70.9	179.8	59.8	0	0	110.5
19	Q	31.1	Very low	34	Very low	199 Å²	199	162.2 Å²	162.2	93%	0.93	85%	0.848	S	S	*	*			trans	-141.4	130.7	159	-136.3	171	-1	0	0	109.5
20	E	32.3	Very low	34.5	Very low	189 Å²	189	158.5 Å²	158.5	88%	0.883	84%	0.844	S	S	*	*			trans	-75	159.6	-170.8	-73.4	175.8	145.8	0	0	114.1
21	A	35	Very low	35.4	Very low	98 Å²	98	153.7 Å²	153.7	81%	0.81	84%	0.836	S	S	*	*			trans	-81.9	159.9	-170.5	0	0	0	0	0	115.2
22	S	29.3	Very low	36.3	Very low	123 Å²	123	151.2 Å²	151.2	86%	0.86	84%	0.838	S	S	*	*			trans	-141.8	136.3	142.7	63.1	0	0	0	0	110.6
23	L	39.1	Very low	37.4	Very low	168 Å²	168	151 Å²	151	88%	0.88	83%	0.832	S	S	*	*			trans	-86.9	141.2	-163.5	-75.4	134.1	0	0	0	113.4
24	T	32.1	Very low	38.5	Very low	135 Å²	135	150.6 Å²	150.6	83%	0.828	83%	0.83	S	S	*	*			trans	-144.4	146.9	144.8	31.1	0	0	0	0	109.5	A26	T24-A26 PolarHBondContact O-N 3.31Å
25	P	36.8	Very low	39.9	Very low	130 Å²	130	148.2 Å²	148.2	84%	0.844	82%	0.823	S	S	*	*			trans	-84.4	110.5	-155.6	31.9	-32.1	0	0	0	112.2	R27	P25-R27 PolarHBondContact O-N 3.49Å
26	A	40.8	Very low	41.2	Very low	93 Å²	93	149.9 Å²	149.9	77%	0.769	82%	0.819	S	S	*	*			trans	-74.4	123.3	165.2	0	0	0	0	0	109.3	T24 L28	T24-A26 PolarHBondContact O-N 3.31Å; A26-L28 PolarHBondContact O-N 3.12Å; A26-L28 VanDerWaalsContact O-N 3.12Å
27	R	40.3	Very low	42.8	Very low	244 Å²	244	144.1 Å²	144.1	92%	0.921	81%	0.813	S	S	*	*			trans	-47.7	117.2	168.3	-86.1	176.3	168	-176.9	-4	109.5	P25 L29	P25-R27 PolarHBondContact O-N 3.49Å; R27-L29 PolarHBondContact O-N 3.12Å; R27-L29 VanDerWaalsContact O-N 3.12Å
28	L	39.2	Very low	44.6	Very low	173 Å²	173	143.7 Å²	143.7	91%	0.906	81%	0.811	S	S	*	*			trans	-61.2	109.9	167.1	-80.8	153.1	0	0	0	108.7	A26	A26-L28 PolarHBondContact O-N 3.12Å; A26-L28 VanDerWaalsContact O-N 3.12Å
29	L	42.1	Very low	46.3	Very low	157 Å²	157	140.3 Å²	140.3	82%	0.822	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-66.9	133.3	158.5	-77.1	163	0	0	0	107.5	R27 A31	R27-L29 PolarHBondContact O-N 3.12Å; R27-L29 VanDerWaalsContact O-N 3.12Å; L29-A31 PolarHBondContact O-N 3.41Å
30	P	43.3	Very low	47.8	Very low	118 Å²	118	136 Å²	136	77%	0.766	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-63.5	136.4	177.5	-2.7	14.6	0	0	0	109	A32	P30-A32 PolarHBondContact O-N 3.1Å; P30-A32 VanDerWaalsContact O-N 3.1Å
31	A	50.2	Low	49.6	Very low	86 Å²	86	131.5 Å²	131.5	71%	0.711	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-50.8	119	172.1	0	0	0	0	0	109.3	L29 H33	L29-A31 PolarHBondContact O-N 3.41Å; A31-H33 VanDerWaalsContact C-N 3.31Å; A31-H33 PolarHBondContact O-N 3.01Å
32	A	51.4	Low	50.8	Low	96 Å²	96	133.3 Å²	133.3	79%	0.793	80%	0.795	S	S	*	*			trans	-64.5	96.1	171.3	0	0	0	0	0	107.8	P30 Q34	P30-A32 PolarHBondContact O-N 3.1Å; P30-A32 VanDerWaalsContact O-N 3.1Å; A32-Q34 PolarHBondContact O-N 2.87Å
33	H	53.3	Low	52.1	Low	166 Å²	166	131.7 Å²	131.7	77%	0.769	78%	0.782	S	S	*	*			trans	-59.6	108	161.7	-86.2	-61.3	0	0	0	107	A31 T35	A31-H33 VanDerWaalsContact C-N 3.31Å; A31-H33 PolarHBondContact O-N 3.01Å; H33-T35 HydrophobicContact CB-CG2 4.37Å; H33-T35 PolarHBondContact O-N 3.35Å
34	Q	57.5	Low	53	Low	160 Å²	160	130.7 Å²	130.7	75%	0.748	78%	0.777	S	S	*	*			trans	-66.3	86.9	163.5	-76.3	-176.4	-14.1	0	0	107.5	A32 F36	A32-Q34 PolarHBondContact O-N 2.87Å; Q34-F36 HydrophobicContact CB-CE2 4.17Å; Q34-F36 PolarHBondContact O-N 2.85Å; Q34-F36 VanDerWaalsContact O-N 3.1Å
35	T	57.2	Low	54	Low	126 Å²	126	128.9 Å²	128.9	77%	0.773	78%	0.775	S	S	*	*			trans	-74.5	93.8	168.4	48.5	0	0	0	0	107.5	H33 S37	H33-T35 HydrophobicContact CB-CG2 4.37Å; H33-T35 PolarHBondContact O-N 3.35Å; T35-S37 PolarHBondContact O-N 3.1Å
36	F	58.8	Low	54.6	Low	167 Å²	167	130.7 Å²	130.7	73%	0.732	77%	0.77	S	S	*	*			trans	-64	123.3	162.1	-67.6	-81.2	0	0	0	107.6	Q34 T38	Q34-F36 HydrophobicContact CB-CE2 4.17Å; Q34-F36 PolarHBondContact O-N 2.85Å; Q34-F36 VanDerWaalsContact O-N 3.1Å; F36-T38 PolarHBondContact O-N 3.21Å
37	S	65.8	Low	55.2	Low	103 Å²	103	131.4 Å²	131.4	72%	0.72	77%	0.765	S	S	*	*			trans	-63.2	120	173	-179.1	0	0	0	0	109	T35 A39	T35-S37 PolarHBondContact O-N 3.1Å; S37-A39 VanDerWaalsContact C-N 3.3Å; S37-A39 WeakPolarHBondContact OG-CB 3.48Å; S37-A39 PolarHBondContact OG-N 3.08Å
38	T	69.6	Low	56.1	Low	135 Å²	135	127.3 Å²	127.3	83%	0.828	76%	0.761	S	S	*	*			trans	-91.7	5	171.8	59	0	0	0	0	112	F36 S40	F36-T38 PolarHBondContact O-N 3.21Å; T38-S40 PolarHBondContact O-N 3.39Å; T38-S40 VanDerWaalsContact O-N 3.08Å
39	A	66.4	Low	58	Low	80 Å²	80	123.6 Å²	123.6	66%	0.661	75%	0.746	S	S	*	*			trans	-64.4	112.5	178.2	0	0	0	0	0	108.8	S37	S37-A39 VanDerWaalsContact C-N 3.3Å; S37-A39 WeakPolarHBondContact OG-CB 3.48Å; S37-A39 PolarHBondContact OG-N 3.08Å
40	S	64.1	Low	60.2	Low	108 Å²	108	123.9 Å²	123.9	76%	0.755	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-63.9	138	173.6	-60.1	0	0	0	0	109.4	T38 V42	T38-S40 PolarHBondContact O-N 3.39Å; T38-S40 VanDerWaalsContact O-N 3.08Å; S40-V42 PolarHBondContact O-N 3.17Å
41	A	69	Low	62.6	Low	96 Å²	96	119.1 Å²	119.1	79%	0.793	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-56.1	123.5	169.5	0	0	0	0	0	108.6	P43	A41-P43 VanDerWaalsContact O-CD 3.31Å; A41-P43 WeakPolarHBondContact O-CD 3.31Å
42	V	60	Low	64.8	Low	135 Å²	135	121.9 Å²	121.9	82%	0.818	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-75.1	117.3	172.5	-178.7	0	0	0	0	106.2	S40 L44	S40-V42 PolarHBondContact O-N 3.17Å; V42-L44 PolarHBondContact O-N 3.4Å
43	P	57.9	Low	67	Low	89 Å²	89	121.8 Å²	121.8	58%	0.578	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-57.7	137.7	176.1	-19.9	31.7	0	0	0	109.2	A41 A45	A41-P43 VanDerWaalsContact O-CD 3.31Å; A41-P43 WeakPolarHBondContact O-CD 3.31Å; P43-A45 PolarHBondContact O-N 2.82Å
44	L	57.8	Low	69.2	Low	148 Å²	148	114.1 Å²	114.1	78%	0.775	65%	0.652	S	S	*	*			trans	-45.9	132.4	163.5	-105.7	133.2	0	0	0	107.9	V42 K46	V42-L44 PolarHBondContact O-N 3.4Å; L44-K46 PolarHBondContact O-N 3.26Å
45	A	51.6	Low	71.2	Confident	96 Å²	96	106.5 Å²	106.5	79%	0.793	62%	0.616	S	S	*	*			trans	-45.1	106.5	-171.8	0	0	0	0	0	109.7	P43 T47	P43-A45 PolarHBondContact O-N 2.82Å; A45-T47 PolarHBondContact O-N 3.3Å
46	K	49.5	Very low	73.2	Confident	169 Å²	169	100.5 Å²	100.5	74%	0.735	58%	0.58	S	S	*	*			trans	-60.4	110.5	179.8	-77.4	-177	177	179.9	0	106.7	L44 D48	L44-K46 PolarHBondContact O-N 3.26Å; K46-D48 PolarHBondContact O-N 2.95Å
47	T	54.7	Low	75.1	Confident	108 Å²	108	94.3 Å²	94.3	66%	0.663	55%	0.554	S	S	*	*			trans	-69.2	116.7	156.5	55	0	0	0	0	105.2	A45 T49	A45-T47 PolarHBondContact O-N 3.3Å; T47-T49 PolarHBondContact O-N 3.48Å; T47-T49 PolarHBondContact OG1-O 2.75Å
48	D	59	Low	76.6	Confident	158 Å²	158	89.8 Å²	89.8	85%	0.845	52%	0.523	S	S	*	.	S	Bend	trans	-60.9	8.5	-177.1	-71.4	-42.1	0	0	0	114.5	K46	K46-D48 PolarHBondContact O-N 2.95Å
49	T	78.1	Confident	78	Confident	95 Å²	95	83.4 Å²	83.4	58%	0.583	48%	0.484	S	S	*	.	S	Bend	trans	-136.6	135.5	-177.4	61	0	0	0	0	111.1	T47	T47-T49 PolarHBondContact O-N 3.48Å; T47-T49 PolarHBondContact OG1-O 2.75Å
50	W	88.3	Confident	79.6	Confident	162 Å²	162	79.8 Å²	79.8	61%	0.614	45%	0.453	S	S	*	.	P	Polyproline II helix	trans	-53	145.6	170.3	-66.5	-20.9	0	0	0	111.8	K52 E181	W50-K52 PolarHBondContact O-N 3.13Å; W50-E181 PolarHBondContact NE1-O 3.31Å
51	P	95	Very high	81.2	Confident	19 Å²	19	74.9 Å²	74.9	12%	0.123	42%	0.419	C	S	.	.	P	Polyproline II helix	trans	-53.3	133.3	175.8	18	-28.9	0	0	0	110.4	V54 M180 E181 W185 P220 R228	P51-V54 HydrophobicContact CB-CG2 3.98Å; P51-V54 HydrophobicContact CG-CG2 3.79Å; P51-M180 HydrophobicContact CG-CG 4.01Å; P51-M180 VanDerWaalsContact CG-O 3.24Å; P51-M180 WeakPolarHBondContact CG-O 3.32Å; P51-E181 HydrophobicContact CG-CG 4.48Å; P51-W185 HydrophobicContact CB-CE3 4.35Å; P51-W185 HydrophobicContact CB-CH2 4.12Å; P51-W185 HydrophobicContact CB-CZ3 3.79Å; P51-W185 HydrophobicContact CG-CE3 4.01Å; P51-W185 HydrophobicContact CG-CZ3 3.96Å; P51-P220 HydrophobicContact CB-CB 3.97Å; P51-R228 PolarHBondContact O-NH2 2.99Å
52	K	96.3	Very high	82.7	Confident	144 Å²	144	70.5 Å²	70.5	63%	0.626	38%	0.382	S	S	*	.	S	Bend	trans	-78.8	147.1	-177.9	-64.8	-173.3	179.5	-177.6	0	111.4	W50 V54 P220 K221	W50-K52 PolarHBondContact O-N 3.13Å; K52-V54 PolarHBondContact O-N 3.44Å; K52-P220 WeakPolarHBondContact O-CA 3.4Å; K52-K221 PolarHBondContact O-N 3.45Å
53	D	97.9	Very high	84.5	Confident	93 Å²	93	64.1 Å²	64.1	50%	0.497	34%	0.343	S	S	.	.	S	Bend	trans	53.2	48.3	170.2	-51.2	-38.7	0	0	0	113.4	G55 K221 A222 A225	D53-G55 PolarHBondContact O-N 3.18Å; D53-K221 PolarHBondContact O-N 2.9Å; D53-K221 VanDerWaalsContact O-N 3.17Å; D53-A222 WeakPolarHBondContact O-CB 3.36Å; D53-A222 PolarHBondContact O-N 3Å; D53-A225 HydrophobicContact CB-CB 3.95Å
54	V	98.8	Very high	86.5	Confident	5 Å²	5	59.9 Å²	59.9	3%	0.03	32%	0.315	C	S	.	.			trans	-63.8	127.4	174.3	175.3	0	0	0	0	109.6	P51 K52 A177 M180 E181 I218 G219 L226	P51-V54 HydrophobicContact CB-CG2 3.98Å; P51-V54 HydrophobicContact CG-CG2 3.79Å; K52-V54 PolarHBondContact O-N 3.44Å; V54-A177 HydrophobicContact CG1-CB 4.17Å; V54-M180 HydrophobicContact CB-SD 4.44Å; V54-M180 HydrophobicContact CG1-CB 4.21Å; V54-M180 HydrophobicContact CG1-CG 4.21Å; V54-M180 HydrophobicContact CG1-SD 3.76Å; V54-M180 HydrophobicContact CG2-CG 3.95Å; V54-M180 HydrophobicContact CG2-SD 3.95Å; V54-E181 HydrophobicContact CG2-CG 4.03Å; V54-I218 HydrophobicContact CG1-CG2 4.15Å; V54-G219 WeakPolarHBondContact CA-O 3.43Å; V54-L226 PolarHBondContact O-N 2.85Å
55	G	98.9	Very high	88.4	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	178	-160.7	-178.2	0	0	0	0	0	113.6	D53 I218 G219 A222 L224	D53-G55 PolarHBondContact O-N 3.18Å; G55-I218 VanDerWaalsContact O-CA 3.29Å; G55-I218 WeakPolarHBondContact O-CA 3.36Å; G55-G219 PolarHBondContact N-O 2.81Å; G55-G219 PolarHBondContact O-N 2.77Å; G55-A222 VanDerWaalsContact CA-CB 3.47Å; G55-L224 CarbonylContact C-O 3.54Å; G55-L224 VanDerWaalsContact CA-O 3.26Å; G55-L224 WeakPolarHBondContact CA-O 3.48Å
56	I	98.9	Very high	90.7	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	118.7	-175	-58.4	166.5	0	0	0	109.8	L59 M216 I218 P223 L224 L390 F423	I56-L59 HydrophobicContact CG2-CB 4.42Å; I56-M216 HydrophobicContact CD1-CG 4.49Å; I56-M216 HydrophobicContact CD1-SD 3.68Å; I56-M216 HydrophobicContact CG1-SD 4.24Å; I56-M216 HydrophobicContact CG2-CB 4.39Å; I56-M216 HydrophobicContact CG2-CG 4.45Å; I56-I218 HydrophobicContact CB-CD1 4.4Å; I56-I218 HydrophobicContact CG1-CD1 3.72Å; I56-P223 VanDerWaalsContact O-CD 3.31Å; I56-P223 WeakPolarHBondContact O-CD 3.41Å; I56-P223 WeakPolarHBondContact O-CG 3.41Å; I56-L224 HydrophobicContact CB-CB 4.27Å; I56-L224 PolarHBondContact N-O 3.06Å; I56-L390 HydrophobicContact CD1-CD2 3.67Å; I56-F423 HydrophobicContact CD1-CE1 3.74Å; I56-F423 HydrophobicContact CD1-CZ 3.73Å; I56-F423 HydrophobicContact CG1-CE1 4.22Å
57	L	98.9	Very high	93	Very high	37 Å²	37	42.8 Å²	42.8	19%	0.194	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	-42.3	174.8	-72.9	170.2	0	0	0	112.5	Y189 L217 A222	L57-Y189 HydrophobicContact CD1-CD1 3.8Å; L57-Y189 HydrophobicContact CD1-CE1 3.43Å; L57-Y189 VanDerWaalsContact CD1-CE1 3.43Å; L57-L217 HydrophobicContact CB-CD2 4.45Å; L57-L217 HydrophobicContact CD1-CD2 4.46Å; L57-L217 PolarHBondContact N-O 3.18Å; L57-A222 HydrophobicContact CD2-CB 4.24Å; L57-A222 HydrophobicContact CG-CB 4.41Å
58	A	98.9	Very high	95.1	Very high	8 Å²	8	37.7 Å²	37.7	7%	0.066	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	148	-179.2	0	0	0	0	0	109.8	L113 I117 M216 L217	A58-L113 HydrophobicContact CB-CD1 3.84Å; A58-I117 HydrophobicContact CB-CD1 4.3Å; A58-I117 HydrophobicContact CB-CG2 4.33Å; A58-M216 CarbonylContact O-C 3.59Å; A58-M216 WeakPolarHBondContact O-CA 3.34Å; A58-L217 HydrophobicContact CB-CB 4.05Å; A58-L217 PolarHBondContact O-N 3.23Å
59	L	98.9	Very high	97	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.01	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	133.6	177.7	-172.7	153	0	0	0	108.7	I56 R116 V214 A215 M216 L390 A391 L438	I56-L59 HydrophobicContact CG2-CB 4.42Å; L59-R116 PolarHBondContact O-NH2 2.86Å; L59-V214 HydrophobicContact CD1-CG1 4.38Å; L59-V214 HydrophobicContact CD2-CG1 4.21Å; L59-V214 HydrophobicContact CG-CG1 4.01Å; L59-A215 CarbonylContact C-O 3.56Å; L59-A215 WeakPolarHBondContact CA-O 3.38Å; L59-M216 HydrophobicContact CD1-CG 4.15Å; L59-M216 HydrophobicContact CD1-SD 4.5Å; L59-M216 HydrophobicContact CG-CG 4.16Å; L59-L390 HydrophobicContact CD1-CD2 3.91Å; L59-L390 HydrophobicContact CD1-CG 4.17Å; L59-A391 HydrophobicContact CD2-CB 3.72Å; L59-L438 HydrophobicContact CB-CD1 3.94Å
60	E	98.9	Very high	98	Very high	4 Å²	4	26.8 Å²	26.8	2%	0.019	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	141.5	171.1	-170.1	65.5	-132.8	0	0	109.3	V109 R112 L113 R116 V214 A215 R448	E60-V109 HydrophobicContact CB-CG2 3.91Å; E60-V109 HydrophobicContact CG-CG2 3.83Å; E60-V109 WeakPolarHBondContact O-CG2 3.02Å; E60-R112 HydrophobicContact CG-CB 4.23Å; E60-R112 HydrophobicContact CG-CG 4.01Å; E60-R112 VanDerWaalsContact OE1-CD 3.3Å; E60-R112 WeakPolarHBondContact OE1-CD 3.28Å; E60-R112 IonicContact OE1-CZ 3.57Å; E60-R112 IonicContact OE1-NE 2.73Å; E60-R112 PolarHBondContact OE1-NE 2.92Å; E60-R112 IonicContact OE1-NH2 3.69Å; E60-L113 HydrophobicContact CB-CB 3.72Å; E60-L113 HydrophobicContact CB-CD1 4.07Å; E60-L113 HydrophobicContact CB-CG 4.34Å; E60-L113 HydrophobicContact CG-CB 4.25Å; E60-R116 IonicContact OE2-CZ 2.73Å; E60-R116 IonicContact OE2-NE 3.61Å; E60-R116 PolarHBondContact OE2-NE 3.41Å; E60-R116 IonicContact OE2-NH2 3.25Å; E60-R116 PolarHBondContact OE2-NH2 3.42Å; E60-V214 CarbonylContact O-C 3.53Å; E60-V214 VanDerWaalsContact O-CA 3.23Å; E60-V214 WeakPolarHBondContact O-CA 3.39Å; E60-V214 WeakPolarHBondContact O-CG1 3.48Å; E60-A215 PolarHBondContact N-O 2.76Å; E60-A215 PolarHBondContact O-N 3.24Å; E60-R448 IonicContact OE1-NH1 2.86Å
61	V	98.9	Very high	98.5	Very high	5 Å²	5	21.8 Å²	21.8	3%	0.03	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	139.7	176	61.6	0	0	0	0	110	F63 A213 V214 L374 L445 R448	V61-F63 HydrophobicContact CG1-CE1 4.49Å; V61-F63 HydrophobicContact CG2-CD1 4.19Å; V61-A213 CarbonylContact C-O 3.42Å; V61-V214 HydrophobicContact CB-CG2 4.18Å; V61-V214 HydrophobicContact CG2-CG2 3.95Å; V61-L374 HydrophobicContact CG2-CD2 3.8Å; V61-L445 HydrophobicContact CG1-CD1 4.11Å; V61-R448 PolarHBondContact O-NH1 3.47Å; V61-R448 PolarHBondContact O-NH2 3.14Å
62	Y	98.9	Very high	98.7	Very high	4 Å²	4	23.7 Å²	23.7	2%	0.016	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	141.6	169.7	-179.7	-99.7	0	0	0	110.2	E100 L105 T108 G212 A213 F486 T489	Y62-E100 WeakPolarHBondContact CE1-OE1 3.34Å; Y62-E100 PolarHBondContact OH-OE1 2.84Å; Y62-L105 HydrophobicContact CD1-CD2 3.66Å; Y62-L105 HydrophobicContact CE1-CD2 3.34Å; Y62-T108 HydrophobicContact CD1-CG2 4.44Å; Y62-T108 HydrophobicContact CD2-CG2 3.4Å; Y62-T108 VanDerWaalsContact CD2-CG2 3.4Å; Y62-T108 HydrophobicContact CE2-CG2 3.57Å; Y62-T108 HydrophobicContact CG-CG2 3.87Å; Y62-G212 CarbonylContact O-C 3.47Å; Y62-G212 WeakPolarHBondContact O-CA 3.47Å; Y62-A213 PolarHBondContact N-O 3.05Å; Y62-A213 PolarHBondContact O-N 3.01Å; Y62-F486 HydrophobicContact CE2-CD2 4.29Å; Y62-T489 HydrophobicContact CE2-CG2 4.42Å; Y62-T489 WeakPolarHBondContact CE2-OG1 3.28Å; Y62-T489 WeakPolarHBondContact OH-CG2 3.32Å; Y62-T489 PolarHBondContact OH-OG1 3.25Å
63	F	98.9	Very high	98.8	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.092	C	C	.	.			trans	-146.5	152.3	171.8	45	-102.7	0	0	0	108.1	V61 L374 L445 R448 L449 R452 F486	V61-F63 HydrophobicContact CG1-CE1 4.49Å; V61-F63 HydrophobicContact CG2-CD1 4.19Å; F63-L374 HydrophobicContact CD1-CD1 3.84Å; F63-L374 HydrophobicContact CE1-CD1 4.1Å; F63-L445 HydrophobicContact CE1-CD1 3.59Å; F63-L445 HydrophobicContact CZ-CD1 4.19Å; F63-R448 HydrophobicContact CE2-CB 4.35Å; F63-R448 HydrophobicContact CZ-CB 3.75Å; F63-L449 HydrophobicContact CD1-CD2 4.27Å; F63-L449 HydrophobicContact CD2-CD2 4.1Å; F63-L449 HydrophobicContact CE1-CD2 3.94Å; F63-L449 HydrophobicContact CE1-CG 4.11Å; F63-L449 HydrophobicContact CE2-CD2 3.73Å; F63-L449 HydrophobicContact CE2-CG 4.14Å; F63-L449 HydrophobicContact CG-CD2 4.34Å; F63-L449 HydrophobicContact CZ-CD2 3.64Å; F63-L449 HydrophobicContact CZ-CG 3.67Å; F63-R452 HydrophobicContact CE2-CG 4.32Å; F63-F486 HydrophobicContact CD2-CE2 4.17Å; F63-F486 HydrophobicContact CE2-CE2 4.11Å; F63-F486 HydrophobicContact CE2-CZ 4.41Å
64	P	98.8	Very high	98.8	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.07	C	C	.	.			trans	-64.2	155.7	-176	26.7	-35.1	0	0	0	112.1	Q66 F95 A211 R452	P64-Q66 PolarHBondContact O-N 3.35Å; P64-Q66 VanDerWaalsContact O-N 3.14Å; P64-F95 VanDerWaalsContact CB-O 3.29Å; P64-F95 WeakPolarHBondContact CB-O 3.33Å; P64-F95 WeakPolarHBondContact CG-O 3.38Å; P64-A211 VanDerWaalsContact CD-O 3.27Å; P64-A211 WeakPolarHBondContact CD-O 3.25Å; P64-A211 HydrophobicContact CG-CB 4.19Å; P64-R452 WeakPolarHBondContact O-CD 3.44Å
65	A	98.7	Very high	98.8	Very high	9 Å²	9	19 Å²	19	7%	0.074	10%	0.096	C	C	.	.	S	Bend	trans	-74.2	0.8	-175.1	0	0	0	0	0	114.6	R452 K453 S484 F486	A65-R452 CarbonylContact O-C 3.49Å; A65-R452 WeakPolarHBondContact O-CA 3.48Å; A65-R452 VanDerWaalsContact O-CB 3.27Å; A65-R452 WeakPolarHBondContact O-CB 3.47Å; A65-K453 PolarHBondContact O-N 3.14Å; A65-S484 VanDerWaalsContact CB-O 3.23Å; A65-S484 WeakPolarHBondContact CB-O 3.47Å; A65-F486 VanDerWaalsContact CA-CE2 3.49Å; A65-F486 HydrophobicContact CB-CD1 4.19Å; A65-F486 HydrophobicContact CB-CD2 3.85Å; A65-F486 HydrophobicContact CB-CE1 4.17Å; A65-F486 HydrophobicContact CB-CE2 3.85Å; A65-F486 HydrophobicContact CB-CG 4.05Å; A65-F486 HydrophobicContact CB-CZ 4.02Å
66	Q	98.6	Very high	98.8	Very high	22 Å²	22	23 Å²	23	10%	0.103	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	153.1	-175.6	64	-163.9	-30.8	0	0	112.1	P64 G94 F95 K453 M455	P64-Q66 PolarHBondContact O-N 3.35Å; P64-Q66 VanDerWaalsContact O-N 3.14Å; Q66-G94 WeakPolarHBondContact O-CA 3.3Å; Q66-F95 HydrophobicContact CG-CD2 4.33Å; Q66-F95 HydrophobicContact CG-CE1 4.27Å; Q66-F95 HydrophobicContact CG-CE2 3.97Å; Q66-F95 HydrophobicContact CG-CZ 3.95Å; Q66-F95 WeakPolarHBondContact CG-O 3.25Å; Q66-K453 VanDerWaalsContact CA-O 3.29Å; Q66-K453 WeakPolarHBondContact CA-O 3.23Å; Q66-M455 HydrophobicContact CB-CG 3.9Å
67	Y	98.9	Very high	98.8	Very high	24 Å²	24	25.1 Å²	25.1	9%	0.094	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	159.8	175.5	67.5	-95	0	0	0	111.5	R92 M93 R452 K453 C454 M455	Y67-R92 HydrophobicContact CD2-CB 3.72Å; Y67-R92 HydrophobicContact CD2-CG 3.52Å; Y67-R92 HydrophobicContact CE2-CB 4.32Å; Y67-R92 HydrophobicContact CE2-CG 3.59Å; Y67-R92 HydrophobicContact CG-CB 4.12Å; Y67-R92 HydrophobicContact CG-CG 4.27Å; Y67-M93 CarbonylContact C-O 3.47Å; Y67-M93 WeakPolarHBondContact CA-O 3.47Å; Y67-M93 WeakPolarHBondContact CB-O 3.39Å; Y67-R452 HydrophobicContact CD1-CB 3.58Å; Y67-R452 HydrophobicContact CE1-CB 3.85Å; Y67-K453 PolarHBondContact N-O 2.98Å; Y67-C454 HydrophobicContact CE1-CB 4.4Å; Y67-C454 HydrophobicContact CE2-CB 3.75Å; Y67-C454 WeakPolarHBondContact CE2-SG 3.33Å; Y67-M455 PolarHBondContact O-N 3.37Å
68	V	98.9	Very high	98.8	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	136.8	165.6	62.6	0	0	0	0	109.4	L73 R92 M93 F95 P457 F460	V68-L73 HydrophobicContact CG2-CB 4.48Å; V68-R92 WeakPolarHBondContact O-CA 3.32Å; V68-M93 HydrophobicContact CG1-CB 4.01Å; V68-M93 HydrophobicContact CG1-CE 3.8Å; V68-M93 PolarHBondContact N-O 3.33Å; V68-M93 PolarHBondContact O-N 3.34Å; V68-F95 HydrophobicContact CB-CE1 4.21Å; V68-F95 HydrophobicContact CG1-CD1 4.47Å; V68-P457 HydrophobicContact CG2-CB 4.48Å; V68-P457 HydrophobicContact CG2-CG 4.21Å; V68-F460 HydrophobicContact CB-CB 4.12Å; V68-F460 HydrophobicContact CB-CD2 4.44Å; V68-F460 HydrophobicContact CB-CG 4.12Å; V68-F460 HydrophobicContact CG1-CD1 4.26Å; V68-F460 HydrophobicContact CG1-CD2 4.08Å; V68-F460 HydrophobicContact CG1-CE2 4.35Å; V68-F460 HydrophobicContact CG1-CG 4.03Å; V68-F460 HydrophobicContact CG2-CB 4.21Å; V68-F460 HydrophobicContact CG2-CD1 4.47Å; V68-F460 HydrophobicContact CG2-CG 4.36Å
69	D	98.9	Very high	98.7	Very high	25 Å²	25	31.9 Å²	31.9	13%	0.134	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	134.2	176.8	-168.8	-85.2	0	0	0	110.7	T71 D72 L73	D69-T71 VanDerWaalsContact C-N 3.32Å; D69-T71 PolarHBondContact O-N 2.97Å; D69-T71 WeakPolarHBondContact OD1-CA 3.2Å; D69-T71 WeakPolarHBondContact OD1-CB 3.23Å; D69-T71 PolarHBondContact OD1-N 3.42Å; D69-T71 PolarHBondContact OD1-OG1 3.42Å; D69-T71 VanDerWaalsContact OD1-OG1 3.07Å; D69-D72 HydrophobicContact CB-CB 4.31Å; D69-D72 PolarHBondContact O-N 3.11Å; D69-D72 PolarHBondContact OD1-N 3.45Å; D69-L73 WeakPolarHBondContact O-CB 3.43Å; D69-L73 PolarHBondContact O-N 3.11Å
70	Q	98.8	Very high	98.7	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-70.4	-29.2	-176.2	-70.1	-80.6	8	0	0	112.5	L73 E74 T85 Q90 T91 P207	Q70-L73 PolarHBondContact O-N 3.38Å; Q70-E74 VanDerWaalsContact O-CG 3.32Å; Q70-E74 WeakPolarHBondContact O-CG 3.39Å; Q70-E74 PolarHBondContact O-N 3.38Å; Q70-T85 HydrophobicContact CB-CG2 3.96Å; Q70-Q90 WeakPolarHBondContact CB-O 3.23Å; Q70-Q90 HydrophobicContact CG-CB 3.93Å; Q70-Q90 WeakPolarHBondContact CG-O 3.36Å; Q70-T91 VanDerWaalsContact CB-O 3.3Å; Q70-T91 WeakPolarHBondContact CB-O 3.43Å; Q70-T91 VanDerWaalsContact CG-C 3.46Å; Q70-T91 WeakPolarHBondContact CG-O 3.36Å; Q70-T91 PolarHBondContact N-O 2.91Å; Q70-P207 PolarHBondContact NE2-O 3.08Å
71	T	98.8	Very high	98.7	Very high	57 Å²	57	44.3 Å²	44.3	35%	0.35	23%	0.234	S	C	.	.	H	α-helix	trans	-68.5	-39.8	175.9	-44.5	0	0	0	0	110.6	D69 E74 K75	D69-T71 VanDerWaalsContact C-N 3.32Å; D69-T71 PolarHBondContact O-N 2.97Å; D69-T71 WeakPolarHBondContact OD1-CA 3.2Å; D69-T71 WeakPolarHBondContact OD1-CB 3.23Å; D69-T71 PolarHBondContact OD1-N 3.42Å; D69-T71 PolarHBondContact OD1-OG1 3.42Å; D69-T71 VanDerWaalsContact OD1-OG1 3.07Å; T71-E74 WeakPolarHBondContact O-CB 3.49Å; T71-E74 PolarHBondContact O-N 3.34Å; T71-K75 WeakPolarHBondContact O-CG 3.26Å; T71-K75 PolarHBondContact O-N 3.39Å
72	D	98.8	Very high	98.7	Very high	58 Å²	58	44.9 Å²	44.9	31%	0.31	24%	0.241	S	C	.	.	H	α-helix	trans	-71.9	-35.7	176.1	-65.5	-27.8	0	0	0	111.1	D69 E74 K75 Y76 P457	D69-D72 HydrophobicContact CB-CB 4.31Å; D69-D72 PolarHBondContact O-N 3.11Å; D69-D72 PolarHBondContact OD1-N 3.45Å; D72-E74 VanDerWaalsContact C-N 3.33Å; D72-E74 PolarHBondContact O-N 3.04Å; D72-K75 PolarHBondContact O-N 3.3Å; D72-K75 IonicContact OD1-NZ 2.81Å; D72-K75 PolarHBondContact OD1-NZ 3.05Å; D72-Y76 WeakPolarHBondContact O-CB 3.24Å; D72-Y76 PolarHBondContact O-N 2.65Å; D72-P457 HydrophobicContact CB-CG 3.82Å
73	L	98.7	Very high	98.6	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.005	26%	0.258	C	S	.	.	H	α-helix	trans	-66.5	-32.6	173	-164.4	63.4	0	0	0	112.7	V68 D69 Q70 Y76 N77 Y84 M93 P207 P457 F460	V68-L73 HydrophobicContact CG2-CB 4.48Å; D69-L73 WeakPolarHBondContact O-CB 3.43Å; D69-L73 PolarHBondContact O-N 3.11Å; Q70-L73 PolarHBondContact O-N 3.38Å; L73-Y76 HydrophobicContact CD1-CD1 4.27Å; L73-N77 VanDerWaalsContact O-CB 3.31Å; L73-N77 WeakPolarHBondContact O-CB 3.11Å; L73-N77 PolarHBondContact O-N 3.22Å; L73-N77 PolarHBondContact O-ND2 2.87Å; L73-Y84 HydrophobicContact CB-CD2 4.44Å; L73-Y84 HydrophobicContact CB-CE2 4.35Å; L73-Y84 HydrophobicContact CD2-CE2 4.45Å; L73-Y84 HydrophobicContact CG-CE2 4.13Å; L73-M93 HydrophobicContact CD2-CE 4.31Å; L73-P207 HydrophobicContact CD2-CB 4.21Å; L73-P207 HydrophobicContact CD2-CG 4.28Å; L73-P457 HydrophobicContact CD1-CB 4.16Å; L73-F460 HydrophobicContact CD1-CD1 4.29Å; L73-F460 HydrophobicContact CD1-CE1 4.31Å
74	E	98.8	Very high	98.6	Very high	6 Å²	6	48.9 Å²	48.9	3%	0.028	26%	0.259	C	S	.	.	H	α-helix	trans	-59.8	-47.6	171.4	-77.8	171.3	178.7	0	0	111.1	Q70 T71 D72 N78 V79 A81 G82 K83 Y84 T85	Q70-E74 VanDerWaalsContact O-CG 3.32Å; Q70-E74 WeakPolarHBondContact O-CG 3.39Å; Q70-E74 PolarHBondContact O-N 3.38Å; T71-E74 WeakPolarHBondContact O-CB 3.49Å; T71-E74 PolarHBondContact O-N 3.34Å; D72-E74 VanDerWaalsContact C-N 3.33Å; D72-E74 PolarHBondContact O-N 3.04Å; E74-N78 PolarHBondContact O-N 3.05Å; E74-V79 HydrophobicContact CB-CG2 3.84Å; E74-V79 HydrophobicContact CG-CG2 3.93Å; E74-V79 WeakPolarHBondContact O-CG2 3.46Å; E74-V79 PolarHBondContact O-N 3.31Å; E74-V79 VanDerWaalsContact O-N 3.08Å; E74-A81 WeakPolarHBondContact OE2-CA 3.36Å; E74-G82 VanDerWaalsContact CD-N 3.33Å; E74-G82 VanDerWaalsContact OE1-C 3.24Å; E74-G82 WeakPolarHBondContact OE1-CA 3.33Å; E74-G82 PolarHBondContact OE1-N 2.74Å; E74-G82 PolarHBondContact OE2-N 2.61Å; E74-K83 PolarHBondContact OE1-N 3.4Å; E74-K83 VanDerWaalsContact OE1-N 3.15Å; E74-Y84 HydrophobicContact CB-CD2 4.27Å; E74-Y84 HydrophobicContact CB-CE2 4.42Å; E74-Y84 HydrophobicContact CG-CD2 3.36Å; E74-Y84 HydrophobicContact CG-CE2 3.88Å; E74-Y84 HydrophobicContact CG-CG 3.71Å; E74-Y84 WeakPolarHBondContact OE1-CA 3.35Å; E74-Y84 WeakPolarHBondContact OE1-CB 3.48Å; E74-Y84 PolarHBondContact OE1-N 2.98Å; E74-T85 PolarHBondContact OE1-N 3.41Å; E74-T85 PolarHBondContact OE1-OG1 3.01Å
75	K	98.8	Very high	98.6	Very high	136 Å²	136	51 Å²	51	59%	0.591	27%	0.272	S	S	*	.	H	α-helix	trans	-62.7	-48.9	177.1	-61.9	167.6	-163.1	155.8	0	111.1	T71 D72 N77 N78	T71-K75 WeakPolarHBondContact O-CG 3.26Å; T71-K75 PolarHBondContact O-N 3.39Å; D72-K75 PolarHBondContact O-N 3.3Å; D72-K75 IonicContact OD1-NZ 2.81Å; D72-K75 PolarHBondContact OD1-NZ 3.05Å; K75-N77 VanDerWaalsContact C-N 3.32Å; K75-N77 PolarHBondContact O-N 2.93Å; K75-N78 PolarHBondContact O-N 2.8Å; K75-N78 VanDerWaalsContact O-N 3.08Å
76	Y	98.6	Very high	98.6	Very high	85 Å²	85	55.3 Å²	55.3	33%	0.333	30%	0.297	S	S	.	.	H	α-helix	trans	-58.8	-42.3	-179.6	-179.8	-98.7	0	0	0	112.4	D72 L73 N78 P457 E458 T461	D72-Y76 WeakPolarHBondContact O-CB 3.24Å; D72-Y76 PolarHBondContact O-N 2.65Å; L73-Y76 HydrophobicContact CD1-CD1 4.27Å; Y76-N78 PolarHBondContact O-N 3.32Å; Y76-P457 VanDerWaalsContact CB-CB 3.45Å; Y76-P457 HydrophobicContact CD1-CB 3.93Å; Y76-P457 HydrophobicContact CD2-CB 3.68Å; Y76-P457 HydrophobicContact CE2-CB 4.42Å; Y76-P457 HydrophobicContact CG-CB 3.4Å; Y76-P457 VanDerWaalsContact CG-CB 3.4Å; Y76-P457 HydrophobicContact CG-CG 4.37Å; Y76-E458 HydrophobicContact CD2-CG 4.38Å; Y76-E458 WeakPolarHBondContact CD2-OE1 3.41Å; Y76-E458 HydrophobicContact CE2-CG 3.92Å; Y76-T461 WeakPolarHBondContact CE1-OG1 3.4Å
77	N	98.2	Very high	98.5	Very high	45 Å²	45	56.1 Å²	56.1	24%	0.241	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	3.1	179.3	-70.3	-23.2	0	0	0	114	L73 K75 V79 Y84	L73-N77 VanDerWaalsContact O-CB 3.31Å; L73-N77 WeakPolarHBondContact O-CB 3.11Å; L73-N77 PolarHBondContact O-N 3.22Å; L73-N77 PolarHBondContact O-ND2 2.87Å; K75-N77 VanDerWaalsContact C-N 3.32Å; K75-N77 PolarHBondContact O-N 2.93Å; N77-V79 VanDerWaalsContact C-N 3.32Å; N77-V79 HydrophobicContact CB-CG1 4.32Å; N77-V79 PolarHBondContact O-N 3.37Å; N77-Y84 WeakPolarHBondContact CB-OH 3.35Å; N77-Y84 PolarHBondContact ND2-OH 3.09Å
78	N	98.2	Very high	98.4	Very high	152 Å²	152	56.4 Å²	56.4	81%	0.813	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	45.9	-177.2	-61.4	-72.3	0	0	0	113.2	E74 K75 Y76	E74-N78 PolarHBondContact O-N 3.05Å; K75-N78 PolarHBondContact O-N 2.8Å; K75-N78 VanDerWaalsContact O-N 3.08Å; Y76-N78 PolarHBondContact O-N 3.32Å
79	V	98.5	Very high	98.4	Very high	34 Å²	34	57.2 Å²	57.2	21%	0.206	32%	0.323	C	S	.	.			trans	-108.3	160.7	175.3	-63.5	0	0	0	0	111.5	E74 N77 A81 K83 Y84	E74-V79 HydrophobicContact CB-CG2 3.84Å; E74-V79 HydrophobicContact CG-CG2 3.93Å; E74-V79 WeakPolarHBondContact O-CG2 3.46Å; E74-V79 PolarHBondContact O-N 3.31Å; E74-V79 VanDerWaalsContact O-N 3.08Å; N77-V79 VanDerWaalsContact C-N 3.32Å; N77-V79 HydrophobicContact CB-CG1 4.32Å; N77-V79 PolarHBondContact O-N 3.37Å; V79-A81 PolarHBondContact O-N 3.15Å; V79-K83 HydrophobicContact CB-CB 4.38Å; V79-K83 HydrophobicContact CB-CD 3.58Å; V79-K83 HydrophobicContact CG1-CD 3.74Å; V79-K83 HydrophobicContact CG2-CB 4.17Å; V79-K83 HydrophobicContact CG2-CD 3.97Å; V79-Y84 HydrophobicContact CG2-CE1 4.09Å; V79-Y84 HydrophobicContact CG2-CE2 3.98Å
80	E	98.4	Very high	98.4	Very high	171 Å²	171	56.1 Å²	56.1	80%	0.799	32%	0.317	S	S	*	.			trans	-57.3	138.2	175.7	-65.7	-179.4	172.6	0	0	111.6	G82 K83	E80-G82 PolarHBondContact O-N 3.16Å; E80-K83 VanDerWaalsContact O-CB 3.27Å; E80-K83 WeakPolarHBondContact O-CB 3.49Å; E80-K83 PolarHBondContact O-N 2.85Å
81	A	98.6	Very high	98.4	Very high	96 Å²	96	58.3 Å²	58.3	79%	0.793	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	131.5	174.1	0	0	0	0	0	110.2	E74 V79	E74-A81 WeakPolarHBondContact OE2-CA 3.36Å; V79-A81 PolarHBondContact O-N 3.15Å
82	G	98.1	Very high	98.4	Very high	17 Å²	17	58.8 Å²	58.8	18%	0.175	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	92.9	-9.7	-175.9	0	0	0	0	0	114.9	E74 E80 Y84 T85 V86 G87	E74-G82 VanDerWaalsContact CD-N 3.33Å; E74-G82 VanDerWaalsContact OE1-C 3.24Å; E74-G82 WeakPolarHBondContact OE1-CA 3.33Å; E74-G82 PolarHBondContact OE1-N 2.74Å; E74-G82 PolarHBondContact OE2-N 2.61Å; E80-G82 PolarHBondContact O-N 3.16Å; G82-Y84 VanDerWaalsContact C-N 3.27Å; G82-Y84 PolarHBondContact O-N 3.5Å; G82-T85 WeakPolarHBondContact CA-OG1 3.46Å; G82-V86 CarbonylContact O-C 3.5Å; G82-V86 WeakPolarHBondContact O-CA 3.37Å; G82-V86 WeakPolarHBondContact O-CB 3.38Å; G82-V86 PolarHBondContact O-N 2.95Å; G82-G87 PolarHBondContact O-N 3.43Å
83	K	98.3	Very high	98.4	Very high	84 Å²	84	56.2 Å²	56.2	37%	0.365	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-40.8	179.8	-175.3	179.5	175.9	-177.8	0	112.2	E74 V79 E80 G87 L88 N204	E74-K83 PolarHBondContact OE1-N 3.4Å; E74-K83 VanDerWaalsContact OE1-N 3.15Å; V79-K83 HydrophobicContact CB-CB 4.38Å; V79-K83 HydrophobicContact CB-CD 3.58Å; V79-K83 HydrophobicContact CG1-CD 3.74Å; V79-K83 HydrophobicContact CG2-CB 4.17Å; V79-K83 HydrophobicContact CG2-CD 3.97Å; E80-K83 VanDerWaalsContact O-CB 3.27Å; E80-K83 WeakPolarHBondContact O-CB 3.49Å; E80-K83 PolarHBondContact O-N 2.85Å; K83-G87 VanDerWaalsContact O-CA 3.26Å; K83-G87 WeakPolarHBondContact O-CA 3.47Å; K83-G87 PolarHBondContact O-N 2.68Å; K83-L88 PolarHBondContact O-N 3.05Å; K83-N204 PolarHBondContact NZ-OD1 3.27Å
84	Y	98.6	Very high	98.4	Very high	5 Å²	5	56.1 Å²	56.1	2%	0.02	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-46.9	178.5	-51.6	-23.8	0	0	0	110.8	L73 E74 N77 V79 G82 V86 L88 G89 Q90 P207	L73-Y84 HydrophobicContact CB-CD2 4.44Å; L73-Y84 HydrophobicContact CB-CE2 4.35Å; L73-Y84 HydrophobicContact CD2-CE2 4.45Å; L73-Y84 HydrophobicContact CG-CE2 4.13Å; E74-Y84 HydrophobicContact CB-CD2 4.27Å; E74-Y84 HydrophobicContact CB-CE2 4.42Å; E74-Y84 HydrophobicContact CG-CD2 3.36Å; E74-Y84 HydrophobicContact CG-CE2 3.88Å; E74-Y84 HydrophobicContact CG-CG 3.71Å; E74-Y84 WeakPolarHBondContact OE1-CA 3.35Å; E74-Y84 WeakPolarHBondContact OE1-CB 3.48Å; E74-Y84 PolarHBondContact OE1-N 2.98Å; N77-Y84 WeakPolarHBondContact CB-OH 3.35Å; N77-Y84 PolarHBondContact ND2-OH 3.09Å; V79-Y84 HydrophobicContact CG2-CE1 4.09Å; V79-Y84 HydrophobicContact CG2-CE2 3.98Å; G82-Y84 VanDerWaalsContact C-N 3.27Å; G82-Y84 PolarHBondContact O-N 3.5Å; Y84-V86 PolarHBondContact O-N 3.35Å; Y84-L88 HydrophobicContact CD1-CD1 3.87Å; Y84-L88 HydrophobicContact CG-CD1 4.36Å; Y84-L88 CarbonylContact O-C 3.56Å; Y84-L88 WeakPolarHBondContact O-CA 3.38Å; Y84-L88 VanDerWaalsContact O-CB 3.31Å; Y84-L88 WeakPolarHBondContact O-CB 3.42Å; Y84-L88 PolarHBondContact O-N 3.08Å; Y84-G89 PolarHBondContact O-N 2.66Å; Y84-Q90 PolarHBondContact O-N 2.77Å; Y84-Q90 VanDerWaalsContact O-N 3.08Å; Y84-P207 HydrophobicContact CD1-CB 4.02Å; Y84-P207 HydrophobicContact CD1-CG 4.03Å; Y84-P207 HydrophobicContact CD2-CB 3.98Å; Y84-P207 HydrophobicContact CD2-CG 4.08Å; Y84-P207 HydrophobicContact CE1-CB 4.12Å; Y84-P207 HydrophobicContact CE1-CG 3.59Å; Y84-P207 HydrophobicContact CE2-CB 4.09Å; Y84-P207 HydrophobicContact CE2-CG 3.67Å; Y84-P207 HydrophobicContact CG-CB 3.98Å; Y84-P207 HydrophobicContact CG-CG 4.28Å; Y84-P207 VanDerWaalsContact CZ-CG 3.4Å
85	T	98.6	Very high	98.4	Very high	44 Å²	44	56.2 Å²	56.2	27%	0.27	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-31.2	-174.3	55	0	0	0	0	113.9	Q70 E74 G82 G89 Q90	Q70-T85 HydrophobicContact CB-CG2 3.96Å; E74-T85 PolarHBondContact OE1-N 3.41Å; E74-T85 PolarHBondContact OE1-OG1 3.01Å; G82-T85 WeakPolarHBondContact CA-OG1 3.46Å; T85-G89 WeakPolarHBondContact O-CA 3.47Å; T85-Q90 VanDerWaalsContact CA-O 3.28Å; T85-Q90 WeakPolarHBondContact CA-O 3.28Å
86	V	97.7	Very high	98.4	Very high	99 Å²	99	49.8 Å²	49.8	60%	0.6	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.7	-45.2	177.2	-178.2	0	0	0	0	111.5	G82 Y84 K306	G82-V86 CarbonylContact O-C 3.5Å; G82-V86 WeakPolarHBondContact O-CA 3.37Å; G82-V86 WeakPolarHBondContact O-CB 3.38Å; G82-V86 PolarHBondContact O-N 2.95Å; Y84-V86 PolarHBondContact O-N 3.35Å; V86-K306 WeakPolarHBondContact O-CE 3.42Å
87	G	97.1	Very high	98.4	Very high	40 Å²	40	46.2 Å²	46.2	41%	0.412	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-46.2	-177.3	0	0	0	0	0	112.6	G82 K83 K306	G82-G87 PolarHBondContact O-N 3.43Å; K83-G87 VanDerWaalsContact O-CA 3.26Å; K83-G87 WeakPolarHBondContact O-CA 3.47Å; K83-G87 PolarHBondContact O-N 2.68Å; G87-K306 VanDerWaalsContact O-CB 3.25Å; G87-K306 WeakPolarHBondContact O-CB 3.5Å; G87-K306 WeakPolarHBondContact O-CG 3.37Å
88	L	97.9	Very high	98.4	Very high	30 Å²	30	44.8 Å²	44.8	16%	0.157	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-24.5	172	-54.4	174.9	0	0	0	112	K83 Y84 Q90 P207 T208 F304 C305 K306	K83-L88 PolarHBondContact O-N 3.05Å; Y84-L88 HydrophobicContact CD1-CD1 3.87Å; Y84-L88 HydrophobicContact CG-CD1 4.36Å; Y84-L88 CarbonylContact O-C 3.56Å; Y84-L88 WeakPolarHBondContact O-CA 3.38Å; Y84-L88 VanDerWaalsContact O-CB 3.31Å; Y84-L88 WeakPolarHBondContact O-CB 3.42Å; Y84-L88 PolarHBondContact O-N 3.08Å; L88-Q90 HydrophobicContact CB-CB 4.45Å; L88-Q90 HydrophobicContact CB-CG 3.94Å; L88-P207 HydrophobicContact CD1-CB 4.07Å; L88-T208 HydrophobicContact CD1-CG2 3.81Å; L88-T208 HydrophobicContact CD2-CG2 4.27Å; L88-F304 HydrophobicContact CB-CB 4.23Å; L88-F304 HydrophobicContact CB-CD2 4.37Å; L88-F304 HydrophobicContact CB-CG 4.49Å; L88-F304 HydrophobicContact CD2-CD2 4.11Å; L88-F304 HydrophobicContact CD2-CE2 4.34Å; L88-F304 HydrophobicContact CD2-CG 4.25Å; L88-C305 PolarHBondContact O-N 3.47Å; L88-K306 WeakPolarHBondContact O-CB 3.35Å; L88-K306 PolarHBondContact O-N 3.07Å
89	G	98.4	Very high	98.4	Very high	17 Å²	17	37.9 Å²	37.9	18%	0.175	23%	0.227	C	C	.	.			trans	74	31.6	-174.3	0	0	0	0	0	112.4	Y84 T85 C305 T376	Y84-G89 PolarHBondContact O-N 2.66Å; T85-G89 WeakPolarHBondContact O-CA 3.47Å; G89-C305 VanDerWaalsContact O-CB 3.23Å; G89-C305 WeakPolarHBondContact O-CB 3.18Å; G89-C305 PolarHBondContact O-SG 3.03Å; G89-C305 VanDerWaalsContact O-SG 3.35Å; G89-T376 PolarHBondContact O-OG1 2.81Å; G89-T376 VanDerWaalsContact O-OG1 3.12Å
90	Q	98.8	Very high	98.4	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	22%	0.218	C	C	.	.			trans	-107.9	134.1	-176.9	-67.6	-59.7	117.7	0	0	110.9	Q70 Y84 T85 L88 F304 C305 S375	Q70-Q90 WeakPolarHBondContact CB-O 3.23Å; Q70-Q90 HydrophobicContact CG-CB 3.93Å; Q70-Q90 WeakPolarHBondContact CG-O 3.36Å; Y84-Q90 PolarHBondContact O-N 2.77Å; Y84-Q90 VanDerWaalsContact O-N 3.08Å; T85-Q90 VanDerWaalsContact CA-O 3.28Å; T85-Q90 WeakPolarHBondContact CA-O 3.28Å; L88-Q90 HydrophobicContact CB-CB 4.45Å; L88-Q90 HydrophobicContact CB-CG 3.94Å; Q90-F304 HydrophobicContact CG-CB 4.12Å; Q90-C305 PolarHBondContact OE1-SG 2.94Å; Q90-S375 PolarHBondContact NE2-O 3.4Å
91	T	98.9	Very high	98.4	Very high	47 Å²	47	28.5 Å²	28.5	29%	0.288	18%	0.181	S	C	.	.			trans	-99.5	-47	178.1	-46.5	0	0	0	0	112.3	Q70 T376	Q70-T91 VanDerWaalsContact CB-O 3.3Å; Q70-T91 WeakPolarHBondContact CB-O 3.43Å; Q70-T91 VanDerWaalsContact CG-C 3.46Å; Q70-T91 WeakPolarHBondContact CG-O 3.36Å; Q70-T91 PolarHBondContact N-O 2.91Å; T91-T376 WeakPolarHBondContact CA-O 3.43Å; T91-T376 WeakPolarHBondContact CB-O 3.39Å; T91-T376 PolarHBondContact N-O 3.48Å; T91-T376 PolarHBondContact N-OG1 2.84Å; T91-T376 PolarHBondContact OG1-OG1 3.14Å
92	R	98.9	Very high	98.4	Very high	66 Å²	66	24 Å²	24	25%	0.249	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	151.3	-176.7	-67	167.1	-176	143	-0.5	110.1	Y67 V68 T376 H377 N378	Y67-R92 HydrophobicContact CD2-CB 3.72Å; Y67-R92 HydrophobicContact CD2-CG 3.52Å; Y67-R92 HydrophobicContact CE2-CB 4.32Å; Y67-R92 HydrophobicContact CE2-CG 3.59Å; Y67-R92 HydrophobicContact CG-CB 4.12Å; Y67-R92 HydrophobicContact CG-CG 4.27Å; V68-R92 WeakPolarHBondContact O-CA 3.32Å; R92-T376 PolarHBondContact N-O 3.2Å; R92-H377 VanDerWaalsContact CB-O 3.3Å; R92-H377 WeakPolarHBondContact CB-O 3.16Å; R92-H377 CarbonylContact O-C 3.57Å; R92-H377 VanDerWaalsContact O-C 3.26Å; R92-N378 PolarHBondContact O-N 2.99Å
93	M	98.9	Very high	98.5	Very high	4 Å²	4	23.8 Å²	23.8	2%	0.02	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	115.3	177.4	-175.2	170.5	69.6	0	0	109.8	Y67 V68 L73 R206 G209 F460	Y67-M93 CarbonylContact C-O 3.47Å; Y67-M93 WeakPolarHBondContact CA-O 3.47Å; Y67-M93 WeakPolarHBondContact CB-O 3.39Å; V68-M93 HydrophobicContact CG1-CB 4.01Å; V68-M93 HydrophobicContact CG1-CE 3.8Å; V68-M93 PolarHBondContact N-O 3.33Å; V68-M93 PolarHBondContact O-N 3.34Å; L73-M93 HydrophobicContact CD2-CE 4.31Å; M93-R206 WeakPolarHBondContact CE-O 3.48Å; M93-G209 WeakPolarHBondContact CG-O 3.49Å; M93-G209 VanDerWaalsContact SD-C 3.55Å; M93-G209 VanDerWaalsContact SD-CA 3.57Å; M93-G209 PolarHBondContact SD-N 3.02Å; M93-G209 VanDerWaalsContact SD-N 3.4Å; M93-F460 HydrophobicContact CE-CE1 4.07Å; M93-F460 HydrophobicContact CE-CE2 3.76Å; M93-F460 HydrophobicContact CE-CZ 3.37Å
94	G	98.9	Very high	98.5	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	144.2	174.1	0	0	0	0	0	110.4	Q66 G210 A211 N378	Q66-G94 WeakPolarHBondContact O-CA 3.3Å; G94-G210 CarbonylContact O-C 3.53Å; G94-G210 VanDerWaalsContact O-CA 3.28Å; G94-G210 WeakPolarHBondContact O-CA 3.12Å; G94-A211 PolarHBondContact O-N 3.42Å; G94-N378 WeakPolarHBondContact CA-OD1 3.4Å; G94-N378 PolarHBondContact N-O 2.98Å
95	F	98.9	Very high	98.5	Very high	7 Å²	7	19.5 Å²	19.5	3%	0.031	12%	0.12	C	C	.	.			trans	-148.6	154.6	-179.6	65.6	-89.6	0	0	0	111.4	P64 Q66 V68 M455 F460 I463 M464	P64-F95 VanDerWaalsContact CB-O 3.29Å; P64-F95 WeakPolarHBondContact CB-O 3.33Å; P64-F95 WeakPolarHBondContact CG-O 3.38Å; Q66-F95 HydrophobicContact CG-CD2 4.33Å; Q66-F95 HydrophobicContact CG-CE1 4.27Å; Q66-F95 HydrophobicContact CG-CE2 3.97Å; Q66-F95 HydrophobicContact CG-CZ 3.95Å; Q66-F95 WeakPolarHBondContact CG-O 3.25Å; V68-F95 HydrophobicContact CB-CE1 4.21Å; V68-F95 HydrophobicContact CG1-CD1 4.47Å; F95-M455 HydrophobicContact CE1-CB 4.21Å; F95-M455 HydrophobicContact CE1-CG 4.36Å; F95-M455 HydrophobicContact CZ-CB 3.88Å; F95-M455 HydrophobicContact CZ-CG 3.85Å; F95-F460 HydrophobicContact CB-CD2 4.39Å; F95-F460 HydrophobicContact CB-CE2 4.19Å; F95-F460 AromaticContact CD1-CD2 3.59Å; F95-F460 HydrophobicContact CD1-CD2 3.59Å; F95-F460 HydrophobicContact CD1-CE2 4.1Å; F95-F460 HydrophobicContact CD2-CD2 4.03Å; F95-F460 HydrophobicContact CE1-CB 4.2Å; F95-F460 AromaticContact CE1-CD2 3.73Å; F95-F460 HydrophobicContact CE1-CD2 3.73Å; F95-F460 HydrophobicContact CE1-CG 4.38Å; F95-F460 HydrophobicContact CE2-CD2 4.17Å; F95-F460 AromaticContact CG-CD2 3.74Å; F95-F460 HydrophobicContact CG-CD2 3.74Å; F95-F460 HydrophobicContact CG-CE2 4.03Å; F95-F460 HydrophobicContact CZ-CB 4.13Å; F95-F460 HydrophobicContact CZ-CD2 4.02Å; F95-I463 HydrophobicContact CD2-CG2 4.17Å; F95-I463 HydrophobicContact CE2-CB 4.24Å; F95-I463 HydrophobicContact CE2-CD1 3.72Å; F95-I463 HydrophobicContact CE2-CG2 4.02Å; F95-I463 HydrophobicContact CZ-CD1 4.3Å; F95-M464 HydrophobicContact CB-CE 4.16Å; F95-M464 HydrophobicContact CD2-CE 3.87Å; F95-M464 HydrophobicContact CG-CE 4.32Å
96	C	98.8	Very high	98.5	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.007	11%	0.107	C	C	.	.			trans	-101.6	137.9	178.9	-69.4	0	0	0	0	110.4	E100 I197 R467	C96-E100 HydrophobicContact CB-CB 3.9Å; C96-I197 HydrophobicContact CB-CD1 4.09Å; C96-I197 HydrophobicContact CB-CG1 4.49Å; C96-R467 WeakPolarHBondContact O-CD 3.49Å; C96-R467 PolarHBondContact O-NH1 2.84Å; C96-R467 VanDerWaalsContact O-NH1 3.15Å
97	S	98.2	Very high	98.6	Very high	11 Å²	11	12.9 Å²	12.9	8%	0.077	8%	0.08	C	C	.	.			trans	-73.4	179.3	158.3	73.6	0	0	0	0	109.8	Q99 E100 R467	S97-Q99 PolarHBondContact O-N 3.25Å; S97-Q99 PolarHBondContact OG-N 3.35Å; S97-E100 PolarHBondContact O-N 3.04Å; S97-E100 VanDerWaalsContact O-O 3.13Å; S97-R467 PolarHBondContact O-NH1 3.15Å
98	V	97.6	Very high	98.7	Very high	15 Å²	15	11.1 Å²	11.1	9%	0.091	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-6.4	175.5	-63.8	0	0	0	0	113.8	Q466 R467 F470 P478 P479	V98-Q466 HydrophobicContact CG1-CG 4.41Å; V98-Q466 HydrophobicContact CG2-CG 4.36Å; V98-R467 HydrophobicContact CG1-CB 4.28Å; V98-R467 HydrophobicContact CG1-CG 3.87Å; V98-F470 HydrophobicContact CG1-CB 3.92Å; V98-F470 HydrophobicContact CG1-CG 4.5Å; V98-P478 HydrophobicContact CG2-CB 4.1Å; V98-P479 HydrophobicContact CG2-CG 4.27Å
99	Q	98.2	Very high	98.7	Very high	7 Å²	7	9.7 Å²	9.7	3%	0.033	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-19.6	171	-63.6	-167	-59.7	0	0	112.7	S97 P478 P479 G480 Y491 L492	S97-Q99 PolarHBondContact O-N 3.25Å; S97-Q99 PolarHBondContact OG-N 3.35Å; Q99-P478 HydrophobicContact CB-CB 4.43Å; Q99-P478 HydrophobicContact CG-CB 3.85Å; Q99-P479 WeakPolarHBondContact CG-O 3.13Å; Q99-G480 VanDerWaalsContact CD-CA 3.49Å; Q99-G480 PolarHBondContact NE2-O 2.84Å; Q99-Y491 CarbonylContact O-C 3.47Å; Q99-Y491 WeakPolarHBondContact O-CA 3.29Å; Q99-Y491 WeakPolarHBondContact O-CB 3.2Å; Q99-L492 PolarHBondContact O-N 3.46Å
100	E	98.8	Very high	98.8	Very high	1 Å²	1	8.9 Å²	8.9	1%	0.005	5%	0.045	C	C	.	.			trans	-117.3	128.5	177.6	-64.1	176.8	94.3	0	0	110.1	Y62 C96 S97 S104 L105 R467 L485	Y62-E100 WeakPolarHBondContact CE1-OE1 3.34Å; Y62-E100 PolarHBondContact OH-OE1 2.84Å; C96-E100 HydrophobicContact CB-CB 3.9Å; S97-E100 PolarHBondContact O-N 3.04Å; S97-E100 VanDerWaalsContact O-O 3.13Å; E100-S104 WeakPolarHBondContact CA-OG 3.31Å; E100-L105 HydrophobicContact CB-CD2 4.38Å; E100-R467 PolarHBondContact O-NH1 3.05Å; E100-L485 HydrophobicContact CG-CD2 4.02Å
101	D	98.8	Very high	98.8	Very high	7 Å²	7	10.1 Å²	10.1	4%	0.037	5%	0.051	C	C	.	.			trans	-129.8	175.6	175.2	72.7	18.4	0	0	0	110.4	N103 S104 L105 R501 Y503	D101-N103 PolarHBondContact O-N 2.78Å; D101-N103 WeakPolarHBondContact OD1-CB 3.43Å; D101-N103 PolarHBondContact OD1-N 3.43Å; D101-S104 PolarHBondContact N-OG 3.44Å; D101-S104 VanDerWaalsContact N-OG 3.11Å; D101-S104 PolarHBondContact O-N 3.18Å; D101-S104 VanDerWaalsContact O-N 3.08Å; D101-S104 PolarHBondContact O-OG 3.36Å; D101-S104 PolarHBondContact OD1-N 3.45Å; D101-L105 WeakPolarHBondContact O-CG 3.36Å; D101-L105 PolarHBondContact O-N 3.13Å; D101-R501 WeakPolarHBondContact OD2-CD 3.43Å; D101-R501 IonicContact OD2-CZ 3.55Å; D101-R501 IonicContact OD2-NE 2.7Å; D101-R501 IonicContact OD2-NH1 2.72Å; D101-R501 PolarHBondContact OD2-NH1 2.87Å; D101-Y503 VanDerWaalsContact OD1-CE1 3.3Å; D101-Y503 WeakPolarHBondContact OD1-CE1 3.34Å; D101-Y503 PolarHBondContact OD1-OH 3.36Å; D101-Y503 WeakPolarHBondContact OD2-CE1 3.31Å; D101-Y503 PolarHBondContact OD2-OH 3.37Å
102	I	98.9	Very high	98.8	Very high	1 Å²	1	12 Å²	12	1%	0.005	5%	0.053	C	C	.	.	H	α-helix	trans	-54.7	-38.9	-177.4	-177	57	0	0	0	113.2	C106 T131 T133 I135 V141 G195	I102-C106 WeakPolarHBondContact O-CB 3.26Å; I102-C106 PolarHBondContact O-N 2.84Å; I102-C106 PolarHBondContact O-SG 2.9Å; I102-T131 WeakPolarHBondContact CD1-OG1 3.44Å; I102-T131 HydrophobicContact CG1-CG2 4.38Å; I102-T133 HydrophobicContact CB-CG2 3.97Å; I102-T133 HydrophobicContact CG2-CG2 4.38Å; I102-I135 HydrophobicContact CG2-CD1 3.61Å; I102-I135 HydrophobicContact CG2-CG1 3.74Å; I102-I135 HydrophobicContact CG2-CG2 4.35Å; I102-V141 HydrophobicContact CG1-CG2 4Å; I102-V141 HydrophobicContact CG2-CG2 4.15Å; I102-G195 WeakPolarHBondContact CD1-O 3.43Å
103	N	98.9	Very high	98.8	Very high	12 Å²	12	8.8 Å²	8.8	6%	0.064	4%	0.041	C	C	.	.	H	α-helix	trans	-67.3	-44.3	179.1	-66.7	-25.5	0	0	0	110.4	D101 C106 L107 I135 V144 Y503	D101-N103 PolarHBondContact O-N 2.78Å; D101-N103 WeakPolarHBondContact OD1-CB 3.43Å; D101-N103 PolarHBondContact OD1-N 3.43Å; N103-C106 PolarHBondContact O-N 2.91Å; N103-L107 WeakPolarHBondContact O-CB 3.4Å; N103-L107 VanDerWaalsContact O-CG 3.26Å; N103-L107 WeakPolarHBondContact O-CG 3.26Å; N103-L107 PolarHBondContact O-N 3.08Å; N103-I135 WeakPolarHBondContact ND2-CD1 3.44Å; N103-V144 HydrophobicContact CB-CG1 4.02Å; N103-Y503 HydrophobicContact CB-CE1 4.02Å; N103-Y503 HydrophobicContact CB-CE2 3.98Å; N103-Y503 VanDerWaalsContact CB-OH 3.31Å; N103-Y503 WeakPolarHBondContact CB-OH 3.33Å; N103-Y503 PolarHBondContact ND2-OH 3.43Å
104	S	98.9	Very high	98.8	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-67.6	-36.7	-179.3	89.5	0	0	0	0	112.1	E100 D101 T108 W490	E100-S104 WeakPolarHBondContact CA-OG 3.31Å; D101-S104 PolarHBondContact N-OG 3.44Å; D101-S104 VanDerWaalsContact N-OG 3.11Å; D101-S104 PolarHBondContact O-N 3.18Å; D101-S104 VanDerWaalsContact O-N 3.08Å; D101-S104 PolarHBondContact O-OG 3.36Å; D101-S104 PolarHBondContact OD1-N 3.45Å; S104-T108 VanDerWaalsContact O-CB 3.31Å; S104-T108 WeakPolarHBondContact O-CB 3.36Å; S104-T108 PolarHBondContact O-N 3.24Å; S104-T108 PolarHBondContact O-OG1 2.81Å; S104-W490 VanDerWaalsContact CB-O 3.28Å; S104-W490 WeakPolarHBondContact CB-O 3.19Å; S104-W490 PolarHBondContact OG-O 3.07Å
105	L	98.9	Very high	98.7	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-60.1	-47.6	171.3	-63	-174	0	0	0	111.2	Y62 E100 D101 T108 V109 I197 A213	Y62-L105 HydrophobicContact CD1-CD2 3.66Å; Y62-L105 HydrophobicContact CE1-CD2 3.34Å; E100-L105 HydrophobicContact CB-CD2 4.38Å; D101-L105 WeakPolarHBondContact O-CG 3.36Å; D101-L105 PolarHBondContact O-N 3.13Å; L105-T108 PolarHBondContact O-N 2.71Å; L105-V109 PolarHBondContact O-N 3.26Å; L105-V109 VanDerWaalsContact O-N 3.11Å; L105-I197 HydrophobicContact CD1-CD1 4.21Å; L105-I197 HydrophobicContact CD1-CG1 3.71Å; L105-A213 HydrophobicContact CB-CB 4.04Å
106	C	98.9	Very high	98.7	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-68.5	-43.4	-179	-68.9	0	0	0	0	112.6	I102 N103 T108 V109 V110 V141 L145 V193	I102-C106 WeakPolarHBondContact O-CB 3.26Å; I102-C106 PolarHBondContact O-N 2.84Å; I102-C106 PolarHBondContact O-SG 2.9Å; N103-C106 PolarHBondContact O-N 2.91Å; C106-T108 VanDerWaalsContact C-N 3.29Å; C106-T108 PolarHBondContact O-N 2.79Å; C106-V109 WeakPolarHBondContact O-CG1 3.29Å; C106-V109 PolarHBondContact O-N 3.36Å; C106-V110 WeakPolarHBondContact O-CB 3.19Å; C106-V110 VanDerWaalsContact O-CG2 3.26Å; C106-V110 WeakPolarHBondContact O-CG2 3.47Å; C106-V110 PolarHBondContact O-N 3.27Å; C106-V141 HydrophobicContact CB-CG1 3.99Å; C106-L145 HydrophobicContact CB-CD1 4.28Å; C106-L145 HydrophobicContact CB-CD2 3.79Å; C106-L145 HydrophobicContact CB-CG 4.44Å; C106-V193 HydrophobicContact CB-CG1 3.94Å
107	L	98.9	Very high	98.7	Very high	3 Å²	3	19 Å²	19	2%	0.016	9%	0.086	C	C	.	.	H	α-helix	trans	-57.4	-44.6	174.1	-75.1	166.1	0	0	0	110.8	N103 Q111 V144 L145 L148 W490 Y503	N103-L107 WeakPolarHBondContact O-CB 3.4Å; N103-L107 VanDerWaalsContact O-CG 3.26Å; N103-L107 WeakPolarHBondContact O-CG 3.26Å; N103-L107 PolarHBondContact O-N 3.08Å; L107-Q111 WeakPolarHBondContact O-CB 3.39Å; L107-Q111 PolarHBondContact O-N 2.76Å; L107-V144 HydrophobicContact CD1-CG1 4.32Å; L107-L145 HydrophobicContact CB-CD2 4.45Å; L107-L145 HydrophobicContact CD2-CD2 3.86Å; L107-L145 HydrophobicContact CG-CD2 3.95Å; L107-L148 HydrophobicContact CD2-CD1 3.88Å; L107-L148 HydrophobicContact CD2-CD2 3.95Å; L107-L148 HydrophobicContact CD2-CG 3.69Å; L107-W490 HydrophobicContact CB-CB 3.94Å; L107-W490 HydrophobicContact CB-CD2 3.98Å; L107-W490 HydrophobicContact CB-CG 3.6Å; L107-W490 HydrophobicContact CD1-CB 4.48Å; L107-W490 HydrophobicContact CD1-CD2 4.1Å; L107-W490 HydrophobicContact CD1-CE3 4.05Å; L107-W490 HydrophobicContact CD1-CG 4.34Å; L107-Y503 HydrophobicContact CD1-CD1 4.46Å; L107-Y503 HydrophobicContact CD1-CD2 4.15Å; L107-Y503 HydrophobicContact CD1-CG 3.99Å
108	T	98.9	Very high	98.7	Very high	3 Å²	3	26.7 Å²	26.7	2%	0.018	12%	0.12	C	C	.	.	H	α-helix	trans	-60.7	-52.4	179.7	-58.6	0	0	0	0	112.1	Y62 S104 L105 C106 V110 R112 W490	Y62-T108 HydrophobicContact CD1-CG2 4.44Å; Y62-T108 HydrophobicContact CD2-CG2 3.4Å; Y62-T108 VanDerWaalsContact CD2-CG2 3.4Å; Y62-T108 HydrophobicContact CE2-CG2 3.57Å; Y62-T108 HydrophobicContact CG-CG2 3.87Å; S104-T108 VanDerWaalsContact O-CB 3.31Å; S104-T108 WeakPolarHBondContact O-CB 3.36Å; S104-T108 PolarHBondContact O-N 3.24Å; S104-T108 PolarHBondContact O-OG1 2.81Å; L105-T108 PolarHBondContact O-N 2.71Å; C106-T108 VanDerWaalsContact C-N 3.29Å; C106-T108 PolarHBondContact O-N 2.79Å; T108-V110 PolarHBondContact O-N 2.79Å; T108-R112 WeakPolarHBondContact O-CB 3.38Å; T108-R112 PolarHBondContact O-N 2.99Å; T108-W490 WeakPolarHBondContact OG1-CB 3.27Å; T108-W490 PolarHBondContact OG1-N 3.5Å
109	V	98.9	Very high	98.8	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-70.3	-34.3	-175.1	72.5	0	0	0	0	112.2	E60 L105 C106 L113 V193 A213 A215	E60-V109 HydrophobicContact CB-CG2 3.91Å; E60-V109 HydrophobicContact CG-CG2 3.83Å; E60-V109 WeakPolarHBondContact O-CG2 3.02Å; L105-V109 PolarHBondContact O-N 3.26Å; L105-V109 VanDerWaalsContact O-N 3.11Å; C106-V109 WeakPolarHBondContact O-CG1 3.29Å; C106-V109 PolarHBondContact O-N 3.36Å; V109-L113 WeakPolarHBondContact O-CB 3.37Å; V109-L113 PolarHBondContact O-N 2.86Å; V109-V193 HydrophobicContact CG1-CG1 4.14Å; V109-A213 HydrophobicContact CB-CB 4.25Å; V109-A213 HydrophobicContact CG1-CB 3.77Å; V109-A215 HydrophobicContact CB-CB 4.48Å; V109-A215 HydrophobicContact CG1-CB 4.02Å; V109-A215 HydrophobicContact CG2-CB 3.93Å
110	V	98.9	Very high	98.8	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-67.5	-54.1	176.6	169.7	0	0	0	0	110.9	C106 T108 R112 L113 M114 L145 L148 F149 M191 V193 A215	C106-V110 WeakPolarHBondContact O-CB 3.19Å; C106-V110 VanDerWaalsContact O-CG2 3.26Å; C106-V110 WeakPolarHBondContact O-CG2 3.47Å; C106-V110 PolarHBondContact O-N 3.27Å; T108-V110 PolarHBondContact O-N 2.79Å; V110-R112 VanDerWaalsContact C-N 3.3Å; V110-R112 PolarHBondContact O-N 2.68Å; V110-L113 WeakPolarHBondContact O-CB 3.4Å; V110-L113 PolarHBondContact O-N 3.28Å; V110-L113 VanDerWaalsContact O-N 3.17Å; V110-M114 HydrophobicContact CG1-SD 4.1Å; V110-M114 WeakPolarHBondContact O-CG 3.18Å; V110-M114 PolarHBondContact O-N 2.83Å; V110-L145 HydrophobicContact CG2-CD1 4.26Å; V110-L145 HydrophobicContact CG2-CD2 4.49Å; V110-L148 HydrophobicContact CB-CD1 3.97Å; V110-L148 HydrophobicContact CG1-CD1 3.58Å; V110-F149 HydrophobicContact CG1-CE2 4.42Å; V110-M191 HydrophobicContact CB-SD 4.32Å; V110-M191 HydrophobicContact CG1-SD 3.68Å; V110-M191 HydrophobicContact CG2-SD 3.94Å; V110-V193 HydrophobicContact CG2-CG1 4.36Å; V110-V193 HydrophobicContact CG2-CG2 3.42Å; V110-V193 VanDerWaalsContact CG2-CG2 3.42Å; V110-A215 HydrophobicContact CG2-CB 4.46Å
111	Q	98.9	Very high	98.7	Very high	28 Å²	28	33.6 Å²	33.6	13%	0.131	16%	0.155	C	C	.	.	H	α-helix	trans	-63.8	-39.4	-177.8	-174	167.6	14.4	0	0	111.4	L107 L113 M114 E115 L148 W490 R505	L107-Q111 WeakPolarHBondContact O-CB 3.39Å; L107-Q111 PolarHBondContact O-N 2.76Å; Q111-L113 VanDerWaalsContact C-N 3.35Å; Q111-L113 PolarHBondContact O-N 3.43Å; Q111-M114 PolarHBondContact O-N 3.39Å; Q111-E115 HydrophobicContact CG-CG 4.22Å; Q111-E115 WeakPolarHBondContact CG-OE1 3.35Å; Q111-E115 PolarHBondContact NE2-OE1 3.36Å; Q111-E115 VanDerWaalsContact NE2-OE1 3.11Å; Q111-E115 WeakPolarHBondContact O-CB 3.45Å; Q111-E115 VanDerWaalsContact O-CG 3.3Å; Q111-E115 WeakPolarHBondContact O-CG 3.22Å; Q111-E115 PolarHBondContact O-N 2.87Å; Q111-L148 HydrophobicContact CB-CD1 4.26Å; Q111-L148 HydrophobicContact CB-CD2 4.39Å; Q111-W490 VanDerWaalsContact OE1-CE2 3.25Å; Q111-W490 VanDerWaalsContact OE1-CZ2 3.3Å; Q111-R505 VanDerWaalsContact CD-CZ 3.4Å; Q111-R505 VanDerWaalsContact CD-NH1 3.25Å
112	R	98.8	Very high	98.7	Very high	85 Å²	85	38.4 Å²	38.4	32%	0.321	18%	0.181	S	C	.	.	H	α-helix	trans	-61	-42.2	175.1	-176.7	178.2	171	89.5	4.9	112.2	E60 T108 V110 R116	E60-R112 HydrophobicContact CG-CB 4.23Å; E60-R112 HydrophobicContact CG-CG 4.01Å; E60-R112 VanDerWaalsContact OE1-CD 3.3Å; E60-R112 WeakPolarHBondContact OE1-CD 3.28Å; E60-R112 IonicContact OE1-CZ 3.57Å; E60-R112 IonicContact OE1-NE 2.73Å; E60-R112 PolarHBondContact OE1-NE 2.92Å; E60-R112 IonicContact OE1-NH2 3.69Å; T108-R112 WeakPolarHBondContact O-CB 3.38Å; T108-R112 PolarHBondContact O-N 2.99Å; V110-R112 VanDerWaalsContact C-N 3.3Å; V110-R112 PolarHBondContact O-N 2.68Å; R112-R116 VanDerWaalsContact O-CB 3.31Å; R112-R116 WeakPolarHBondContact O-CB 3.4Å; R112-R116 PolarHBondContact O-N 3.17Å
113	L	98.9	Very high	98.7	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-59.4	-54.7	174.4	175.8	58.3	0	0	0	110	A58 E60 V109 V110 Q111 E115 R116 I117 M191 A215 L217	A58-L113 HydrophobicContact CB-CD1 3.84Å; E60-L113 HydrophobicContact CB-CB 3.72Å; E60-L113 HydrophobicContact CB-CD1 4.07Å; E60-L113 HydrophobicContact CB-CG 4.34Å; E60-L113 HydrophobicContact CG-CB 4.25Å; V109-L113 WeakPolarHBondContact O-CB 3.37Å; V109-L113 PolarHBondContact O-N 2.86Å; V110-L113 WeakPolarHBondContact O-CB 3.4Å; V110-L113 PolarHBondContact O-N 3.28Å; V110-L113 VanDerWaalsContact O-N 3.17Å; Q111-L113 VanDerWaalsContact C-N 3.35Å; Q111-L113 PolarHBondContact O-N 3.43Å; L113-E115 VanDerWaalsContact C-N 3.35Å; L113-E115 PolarHBondContact O-N 3.32Å; L113-R116 PolarHBondContact O-N 2.72Å; L113-I117 HydrophobicContact CD1-CD1 4.34Å; L113-I117 HydrophobicContact CD1-CG1 4.33Å; L113-I117 HydrophobicContact CD1-CG2 4.44Å; L113-I117 VanDerWaalsContact O-CG1 3.22Å; L113-I117 WeakPolarHBondContact O-CG1 3.45Å; L113-I117 PolarHBondContact O-N 3.41Å; L113-I117 VanDerWaalsContact O-N 3.1Å; L113-M191 HydrophobicContact CD2-CE 4.16Å; L113-A215 HydrophobicContact CB-CB 4.4Å; L113-A215 HydrophobicContact CD2-CB 3.72Å; L113-L217 HydrophobicContact CD2-CB 4.49Å
114	M	98.8	Very high	98.7	Very high	3 Å²	3	38.8 Å²	38.8	2%	0.015	18%	0.184	C	C	.	.	H	α-helix	trans	-60.8	-42	-174.9	-66.3	-168.9	66.7	0	0	112.7	V110 Q111 Q118 L119 W121 F149 M191	V110-M114 HydrophobicContact CG1-SD 4.1Å; V110-M114 WeakPolarHBondContact O-CG 3.18Å; V110-M114 PolarHBondContact O-N 2.83Å; Q111-M114 PolarHBondContact O-N 3.39Å; M114-Q118 CarbonylContact O-C 3.59Å; M114-Q118 VanDerWaalsContact O-CA 3.31Å; M114-Q118 WeakPolarHBondContact O-CA 3.46Å; M114-Q118 PolarHBondContact O-N 3.08Å; M114-L119 HydrophobicContact CB-CB 4.43Å; M114-L119 HydrophobicContact CE-CB 4.32Å; M114-L119 HydrophobicContact CE-CD2 4.26Å; M114-L119 HydrophobicContact CE-CG 4.42Å; M114-L119 HydrophobicContact CG-CB 4.43Å; M114-L119 HydrophobicContact CG-CD2 4.38Å; M114-L119 PolarHBondContact O-N 2.85Å; M114-W121 HydrophobicContact CB-CH2 4.38Å; M114-W121 HydrophobicContact CE-CD2 3.65Å; M114-W121 HydrophobicContact CE-CE3 3.12Å; M114-W121 HydrophobicContact CE-CG 4.31Å; M114-W121 HydrophobicContact CE-CH2 4.16Å; M114-W121 HydrophobicContact CE-CZ3 3.43Å; M114-W121 VanDerWaalsContact CE-CZ3 3.43Å; M114-W121 HydrophobicContact CG-CZ3 4.43Å; M114-W121 HydrophobicContact SD-CD2 4.47Å; M114-W121 HydrophobicContact SD-CE3 3.49Å; M114-W121 HydrophobicContact SD-CH2 3.85Å; M114-W121 HydrophobicContact SD-CZ3 3.11Å; M114-W121 WeakPolarHBondContact SD-CZ3 3.21Å; M114-F149 HydrophobicContact CE-CE1 3.99Å; M114-F149 HydrophobicContact CE-CZ 4.21Å; M114-F149 HydrophobicContact SD-CE1 4.06Å; M114-F149 HydrophobicContact SD-CE2 4.43Å; M114-F149 HydrophobicContact SD-CZ 3.64Å; M114-M191 HydrophobicContact CG-CE 3.84Å; M114-M191 HydrophobicContact SD-CE 3.96Å
115	E	98.7	Very high	98.7	Very high	77 Å²	77	38.9 Å²	38.9	36%	0.36	19%	0.185	S	C	.	.	H	α-helix	trans	-64.3	-46.2	175.5	-72.8	170.3	170.2	0	0	112	Q111 L113 I117 Q118 R505	Q111-E115 HydrophobicContact CG-CG 4.22Å; Q111-E115 WeakPolarHBondContact CG-OE1 3.35Å; Q111-E115 PolarHBondContact NE2-OE1 3.36Å; Q111-E115 VanDerWaalsContact NE2-OE1 3.11Å; Q111-E115 WeakPolarHBondContact O-CB 3.45Å; Q111-E115 VanDerWaalsContact O-CG 3.3Å; Q111-E115 WeakPolarHBondContact O-CG 3.22Å; Q111-E115 PolarHBondContact O-N 2.87Å; L113-E115 VanDerWaalsContact C-N 3.35Å; L113-E115 PolarHBondContact O-N 3.32Å; E115-I117 VanDerWaalsContact C-N 3.35Å; E115-I117 PolarHBondContact O-N 3.45Å; E115-Q118 PolarHBondContact O-N 2.99Å; E115-R505 IonicContact OE1-CZ 3.7Å; E115-R505 IonicContact OE1-NH1 2.87Å; E115-R505 PolarHBondContact OE1-NH1 3.2Å; E115-R505 IonicContact OE1-NH2 3.97Å; E115-R505 PolarHBondContact OE1-NH2 3Å; E115-R505 IonicContact OE2-CZ 3.67Å; E115-R505 IonicContact OE2-NH1 3.69Å; E115-R505 PolarHBondContact OE2-NH1 2.66Å; E115-R505 IonicContact OE2-NH2 3.34Å; E115-R505 PolarHBondContact OE2-NH2 3.48Å
116	R	98.5	Very high	98.7	Very high	88 Å²	88	40.1 Å²	40.1	33%	0.332	19%	0.19	S	C	.	.	H	α-helix	trans	-62.4	-41	-177.2	178.6	173.2	55.1	82.1	-7.2	112.6	L59 E60 R112 L113	L59-R116 PolarHBondContact O-NH2 2.86Å; E60-R116 IonicContact OE2-CZ 2.73Å; E60-R116 IonicContact OE2-NE 3.61Å; E60-R116 PolarHBondContact OE2-NE 3.41Å; E60-R116 IonicContact OE2-NH2 3.25Å; E60-R116 PolarHBondContact OE2-NH2 3.42Å; R112-R116 VanDerWaalsContact O-CB 3.31Å; R112-R116 WeakPolarHBondContact O-CB 3.4Å; R112-R116 PolarHBondContact O-N 3.17Å; L113-R116 PolarHBondContact O-N 2.72Å
117	I	98.4	Very high	98.7	Very high	58 Å²	58	40.1 Å²	40.1	30%	0.297	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	5.4	-179.5	63.6	155.3	0	0	0	113.2	A58 L113 E115 L119 L217	A58-I117 HydrophobicContact CB-CD1 4.3Å; A58-I117 HydrophobicContact CB-CG2 4.33Å; L113-I117 HydrophobicContact CD1-CD1 4.34Å; L113-I117 HydrophobicContact CD1-CG1 4.33Å; L113-I117 HydrophobicContact CD1-CG2 4.44Å; L113-I117 VanDerWaalsContact O-CG1 3.22Å; L113-I117 WeakPolarHBondContact O-CG1 3.45Å; L113-I117 PolarHBondContact O-N 3.41Å; L113-I117 VanDerWaalsContact O-N 3.1Å; E115-I117 VanDerWaalsContact C-N 3.35Å; E115-I117 PolarHBondContact O-N 3.45Å; I117-L119 HydrophobicContact CD1-CB 3.84Å; I117-L119 HydrophobicContact CD1-CD1 4.11Å; I117-L119 HydrophobicContact CD1-CD2 4.21Å; I117-L119 HydrophobicContact CD1-CG 4.28Å; I117-L119 HydrophobicContact CG1-CB 3.92Å; I117-L119 PolarHBondContact O-N 3.09Å; I117-L217 HydrophobicContact CD1-CD2 3.72Å
118	Q	98.6	Very high	98.7	Very high	172 Å²	172	40.4 Å²	40.4	80%	0.804	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.6	44.4	-178.3	-58.7	177.8	0.1	0	0	112.4	M114 E115 P120	M114-Q118 CarbonylContact O-C 3.59Å; M114-Q118 VanDerWaalsContact O-CA 3.31Å; M114-Q118 WeakPolarHBondContact O-CA 3.46Å; M114-Q118 PolarHBondContact O-N 3.08Å; E115-Q118 PolarHBondContact O-N 2.99Å; Q118-P120 WeakPolarHBondContact O-CD 3.46Å
119	L	98.4	Very high	98.7	Very high	19 Å²	19	40.3 Å²	40.3	10%	0.099	19%	0.191	C	C	.	.			trans	-76.5	123.6	-175.2	-168.8	69	0	0	0	110.6	M114 I117 S123 V124 Y189 M191 L217	M114-L119 HydrophobicContact CB-CB 4.43Å; M114-L119 HydrophobicContact CE-CB 4.32Å; M114-L119 HydrophobicContact CE-CD2 4.26Å; M114-L119 HydrophobicContact CE-CG 4.42Å; M114-L119 HydrophobicContact CG-CB 4.43Å; M114-L119 HydrophobicContact CG-CD2 4.38Å; M114-L119 PolarHBondContact O-N 2.85Å; I117-L119 HydrophobicContact CD1-CB 3.84Å; I117-L119 HydrophobicContact CD1-CD1 4.11Å; I117-L119 HydrophobicContact CD1-CD2 4.21Å; I117-L119 HydrophobicContact CD1-CG 4.28Å; I117-L119 HydrophobicContact CG1-CB 3.92Å; I117-L119 PolarHBondContact O-N 3.09Å; L119-S123 VanDerWaalsContact CD1-OG 3.31Å; L119-S123 WeakPolarHBondContact CD1-OG 3.47Å; L119-S123 WeakPolarHBondContact CG-OG 3.48Å; L119-V124 HydrophobicContact CD2-CG2 3.91Å; L119-Y189 HydrophobicContact CD1-CD2 3.87Å; L119-Y189 HydrophobicContact CD1-CE2 3.82Å; L119-M191 HydrophobicContact CD2-CE 4.14Å; L119-L217 HydrophobicContact CD1-CD2 4.12Å; L119-L217 HydrophobicContact CD2-CD1 3.65Å; L119-L217 HydrophobicContact CD2-CD2 4.18Å
120	P	98.6	Very high	98.7	Very high	71 Å²	71	40.3 Å²	40.3	46%	0.461	19%	0.191	S	C	.	.			trans	-61.1	138	173.4	-24.5	36.1	0	0	0	111.8	Q118 D122 S123	Q118-P120 WeakPolarHBondContact O-CD 3.46Å; P120-D122 WeakPolarHBondContact CB-OD1 3.27Å; P120-D122 PolarHBondContact O-N 2.89Å; P120-S123 WeakPolarHBondContact O-CB 3.27Å; P120-S123 PolarHBondContact O-N 2.93Å; P120-S123 VanDerWaalsContact O-N 3.11Å; P120-S123 PolarHBondContact O-OG 3.17Å
121	W	98	Very high	98.7	Very high	78 Å²	78	40.3 Å²	40.3	30%	0.295	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-60.8	-33.2	-179.4	-62.1	107.4	0	0	0	113.2	M114 S123 L148 F149 S152 N154	M114-W121 HydrophobicContact CB-CH2 4.38Å; M114-W121 HydrophobicContact CE-CD2 3.65Å; M114-W121 HydrophobicContact CE-CE3 3.12Å; M114-W121 HydrophobicContact CE-CG 4.31Å; M114-W121 HydrophobicContact CE-CH2 4.16Å; M114-W121 HydrophobicContact CE-CZ3 3.43Å; M114-W121 VanDerWaalsContact CE-CZ3 3.43Å; M114-W121 HydrophobicContact CG-CZ3 4.43Å; M114-W121 HydrophobicContact SD-CD2 4.47Å; M114-W121 HydrophobicContact SD-CE3 3.49Å; M114-W121 HydrophobicContact SD-CH2 3.85Å; M114-W121 HydrophobicContact SD-CZ3 3.11Å; M114-W121 WeakPolarHBondContact SD-CZ3 3.21Å; W121-S123 VanDerWaalsContact C-N 3.27Å; W121-S123 PolarHBondContact O-N 3.23Å; W121-L148 HydrophobicContact CE3-CB 4.5Å; W121-L148 HydrophobicContact CH2-CB 4.01Å; W121-L148 HydrophobicContact CZ3-CB 3.63Å; W121-L148 VanDerWaalsContact CZ3-O 3.29Å; W121-L148 WeakPolarHBondContact CZ3-O 3.39Å; W121-F149 HydrophobicContact CB-CD1 4.39Å; W121-F149 AromaticContact CE3-CD1 3.8Å; W121-F149 HydrophobicContact CE3-CD1 3.8Å; W121-F149 HydrophobicContact CE3-CD2 4.45Å; W121-F149 AromaticContact CE3-CE1 3.79Å; W121-F149 HydrophobicContact CE3-CE1 3.79Å; W121-F149 HydrophobicContact CE3-CE2 4.44Å; W121-F149 HydrophobicContact CE3-CG 4.14Å; W121-F149 HydrophobicContact CE3-CZ 4.12Å; W121-F149 HydrophobicContact CZ3-CE1 4.39Å; W121-F149 HydrophobicContact CZ3-CE2 4.34Å; W121-F149 HydrophobicContact CZ3-CZ 4.26Å; W121-F149 WeakPolarHBondContact O-CD1 3.41Å; W121-S152 WeakPolarHBondContact CB-OG 3.23Å; W121-N154 PolarHBondContact O-ND2 2.97Å
122	D	98.2	Very high	98.7	Very high	108 Å²	108	39.4 Å²	39.4	58%	0.578	19%	0.187	S	C	*	.	G	3₁₀ helix	trans	-75	-10.7	178.6	64.7	-8.6	0	0	0	114.2	P120 V124 R188	P120-D122 WeakPolarHBondContact CB-OD1 3.27Å; P120-D122 PolarHBondContact O-N 2.89Å; D122-V124 VanDerWaalsContact C-N 3.31Å; D122-V124 PolarHBondContact O-N 2.7Å; D122-R188 WeakPolarHBondContact O-CD 3.49Å
123	S	98.6	Very high	98.7	Very high	21 Å²	21	35.7 Å²	35.7	15%	0.147	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-82.7	-2	-178	73.8	0	0	0	0	114.5	L119 P120 W121 R188 Y189	L119-S123 VanDerWaalsContact CD1-OG 3.31Å; L119-S123 WeakPolarHBondContact CD1-OG 3.47Å; L119-S123 WeakPolarHBondContact CG-OG 3.48Å; P120-S123 WeakPolarHBondContact O-CB 3.27Å; P120-S123 PolarHBondContact O-N 2.93Å; P120-S123 VanDerWaalsContact O-N 3.11Å; P120-S123 PolarHBondContact O-OG 3.17Å; W121-S123 VanDerWaalsContact C-N 3.27Å; W121-S123 PolarHBondContact O-N 3.23Å; S123-R188 WeakPolarHBondContact O-CB 3.26Å; S123-Y189 WeakPolarHBondContact O-CD2 3.36Å; S123-Y189 PolarHBondContact O-N 3.16Å
124	V	98.9	Very high	98.6	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	119.9	178.6	-178.3	0	0	0	0	109.6	L119 D122 R126 F149 N154 I157 R188 M191	L119-V124 HydrophobicContact CD2-CG2 3.91Å; D122-V124 VanDerWaalsContact C-N 3.31Å; D122-V124 PolarHBondContact O-N 2.7Å; V124-R126 WeakPolarHBondContact CG1-O 3.45Å; V124-F149 HydrophobicContact CB-CE1 3.9Å; V124-F149 HydrophobicContact CB-CZ 4.46Å; V124-F149 HydrophobicContact CG1-CE1 4.37Å; V124-F149 HydrophobicContact CG2-CE1 3.98Å; V124-F149 HydrophobicContact CG2-CZ 4.37Å; V124-N154 PolarHBondContact O-ND2 3.27Å; V124-I157 HydrophobicContact CG1-CG2 4.29Å; V124-R188 PolarHBondContact O-NH1 3.25Å; V124-M191 HydrophobicContact CG1-CB 4.17Å; V124-M191 HydrophobicContact CG2-CE 4.27Å
125	G	98.8	Very high	98.6	Very high	2 Å²	2	41 Å²	41	2%	0.021	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	-13.6	178.7	0	0	0	0	0	114.2	I157 E158 R188 Y189	G125-I157 WeakPolarHBondContact O-CA 3.41Å; G125-E158 PolarHBondContact O-N 3.37Å; G125-R188 VanDerWaalsContact CA-CZ 3.43Å; G125-Y189 PolarHBondContact N-O 2.83Å
126	R	98.9	Very high	98.6	Very high	26 Å²	26	41.4 Å²	41.4	10%	0.098	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	135.9	172.9	-177.3	175.3	178.7	81.4	8.8	110.8	V124 E128 E158 W179 Y189 A190 M191	V124-R126 WeakPolarHBondContact CG1-O 3.45Å; R126-E128 IonicContact CZ-OE1 2.66Å; R126-E128 IonicContact CZ-OE2 3.12Å; R126-E128 IonicContact NH2-OE1 2.77Å; R126-E128 PolarHBondContact NH2-OE1 3.05Å; R126-E128 IonicContact NH2-OE2 3.65Å; R126-E128 PolarHBondContact NH2-OE2 3.32Å; R126-E158 CarbonylContact C-O 3.53Å; R126-E158 WeakPolarHBondContact CA-O 3.41Å; R126-E158 HydrophobicContact CB-CB 4.37Å; R126-E158 HydrophobicContact CG-CB 4.22Å; R126-E158 IonicContact NH1-OE2 3.07Å; R126-E158 PolarHBondContact NH1-OE2 2.72Å; R126-W179 HydrophobicContact CB-CD2 3.93Å; R126-W179 HydrophobicContact CB-CE3 3.94Å; R126-W179 HydrophobicContact CB-CH2 4.12Å; R126-W179 HydrophobicContact CB-CZ2 4.13Å; R126-W179 HydrophobicContact CB-CZ3 4.02Å; R126-W179 HydrophobicContact CG-CD2 4.46Å; R126-Y189 PolarHBondContact N-O 3.32Å; R126-A190 HydrophobicContact CB-CB 3.95Å; R126-A190 HydrophobicContact CG-CB 4.44Å; R126-A190 CarbonylContact O-C 3.6Å; R126-A190 VanDerWaalsContact O-CA 3.31Å; R126-A190 WeakPolarHBondContact O-CA 3.44Å; R126-M191 PolarHBondContact O-N 3.06Å
127	L	98.9	Very high	98.6	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	121.4	176.1	173.4	64.6	0	0	0	108.6	K142 L145 F149 I157 E158 G159 M191 V193	L127-K142 HydrophobicContact CG-CG 4.34Å; L127-K142 WeakPolarHBondContact O-CE 3.31Å; L127-K142 VanDerWaalsContact O-CG 3.28Å; L127-K142 WeakPolarHBondContact O-CG 3.41Å; L127-L145 HydrophobicContact CD1-CD1 4.3Å; L127-L145 HydrophobicContact CD2-CB 3.82Å; L127-L145 HydrophobicContact CD2-CD1 4.16Å; L127-L145 HydrophobicContact CG-CD1 4.46Å; L127-F149 HydrophobicContact CD2-CD2 4.42Å; L127-F149 HydrophobicContact CD2-CE2 3.87Å; L127-I157 HydrophobicContact CB-CG2 3.67Å; L127-E158 PolarHBondContact N-O 2.89Å; L127-E158 VanDerWaalsContact O-O 3.13Å; L127-G159 CarbonylContact O-C 3.54Å; L127-G159 WeakPolarHBondContact O-CA 3.4Å; L127-M191 WeakPolarHBondContact CA-O 3.32Å; L127-M191 HydrophobicContact CD1-CB 3.78Å; L127-M191 HydrophobicContact CD1-CG 3.8Å; L127-M191 HydrophobicContact CD1-SD 3.97Å; L127-V193 HydrophobicContact CD1-CG2 3.79Å
128	E	98.9	Very high	98.6	Very high	10 Å²	10	48.5 Å²	48.5	5%	0.047	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	134.6	-176.3	-177.4	156.4	85.7	0	0	112.6	R126 I160 T162 S172 N175 M191 V193	R126-E128 IonicContact CZ-OE1 2.66Å; R126-E128 IonicContact CZ-OE2 3.12Å; R126-E128 IonicContact NH2-OE1 2.77Å; R126-E128 PolarHBondContact NH2-OE1 3.05Å; R126-E128 IonicContact NH2-OE2 3.65Å; R126-E128 PolarHBondContact NH2-OE2 3.32Å; E128-I160 WeakPolarHBondContact CA-O 3.34Å; E128-I160 WeakPolarHBondContact CG-O 3.31Å; E128-I160 PolarHBondContact OE2-N 3Å; E128-T162 HydrophobicContact CG-CG2 4.12Å; E128-S172 WeakPolarHBondContact CB-OG 3.25Å; E128-S172 WeakPolarHBondContact CG-OG 3.43Å; E128-S172 PolarHBondContact O-OG 3.19Å; E128-N175 WeakPolarHBondContact OE1-CB 3.36Å; E128-N175 PolarHBondContact OE1-ND2 2.77Å; E128-M191 PolarHBondContact N-O 3.13Å; E128-M191 VanDerWaalsContact N-O 3.08Å; E128-V193 PolarHBondContact O-N 3.3Å
129	V	98.9	Very high	98.6	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	126.2	-175	-171.8	0	0	0	0	111.1	T131 V141 K142 L145 I160 D161 T162 V193	V129-T131 HydrophobicContact CG1-CG2 4.35Å; V129-V141 HydrophobicContact CB-CB 4.33Å; V129-V141 HydrophobicContact CG1-CB 4.11Å; V129-V141 HydrophobicContact CG1-CG1 4.06Å; V129-V141 HydrophobicContact CG2-CB 4.19Å; V129-V141 HydrophobicContact CG2-CG1 4.08Å; V129-K142 HydrophobicContact CG2-CB 4.15Å; V129-L145 HydrophobicContact CG2-CD1 3.62Å; V129-I160 PolarHBondContact N-O 3.47Å; V129-D161 WeakPolarHBondContact CB-OD1 3.28Å; V129-D161 CarbonylContact O-C 3.48Å; V129-D161 VanDerWaalsContact O-CA 3.22Å; V129-D161 WeakPolarHBondContact O-CA 3.4Å; V129-T162 PolarHBondContact O-N 2.73Å; V129-V193 CarbonylContact C-O 3.59Å; V129-V193 VanDerWaalsContact CA-O 3.26Å; V129-V193 WeakPolarHBondContact CA-O 3.2Å; V129-V193 HydrophobicContact CG2-CB 4.24Å
130	G	98.9	Very high	98.6	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	118.1	165.3	0	0	0	0	0	110.8	T162 G168 V193 C194 G195 T383	G130-T162 WeakPolarHBondContact CA-O 3.25Å; G130-G168 VanDerWaalsContact CA-C 3.45Å; G130-V193 PolarHBondContact N-O 2.89Å; G130-C194 WeakPolarHBondContact O-CA 3.48Å; G130-C194 WeakPolarHBondContact O-CB 3.22Å; G130-G195 PolarHBondContact O-N 2.74Å; G130-T383 PolarHBondContact O-OG1 3.25Å
131	T	98.9	Very high	98.6	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.006	22%	0.218	C	C	.	.			trans	-152.8	155.5	177.2	-172	0	0	0	0	111.4	I102 V129 T133 V141 T163 G195 D196	I102-T131 WeakPolarHBondContact CD1-OG1 3.44Å; I102-T131 HydrophobicContact CG1-CG2 4.38Å; V129-T131 HydrophobicContact CG1-CG2 4.35Å; T131-T133 PolarHBondContact OG1-N 2.84Å; T131-T133 VanDerWaalsContact OG1-N 3.08Å; T131-V141 HydrophobicContact CG2-CG2 4.28Å; T131-T163 WeakPolarHBondContact O-CB 3.43Å; T131-T163 VanDerWaalsContact O-CG2 3.26Å; T131-T163 WeakPolarHBondContact O-CG2 3.48Å; T131-T163 PolarHBondContact O-OG1 3.45Å; T131-G195 WeakPolarHBondContact CB-O 3.19Å; T131-G195 PolarHBondContact OG1-O 2.86Å; T131-D196 PolarHBondContact OG1-OD1 2.86Å
132	E	98.6	Very high	98.7	Very high	8 Å²	8	39.7 Å²	39.7	4%	0.037	21%	0.208	C	C	.	.	S	Bend	trans	-118.3	11.9	165.5	63.7	160.2	97.8	0	0	112.7	T163 A165 C166 D196 K243 Y382	E132-T163 HydrophobicContact CB-CG2 4.5Å; E132-A165 WeakPolarHBondContact OE1-CA 3.47Å; E132-C166 PolarHBondContact OE1-N 2.9Å; E132-C166 PolarHBondContact OE1-SG 3.1Å; E132-D196 WeakPolarHBondContact CG-OD1 3.22Å; E132-D196 PolarHBondContact N-OD1 2.93Å; E132-K243 PolarHBondContact O-NZ 3.12Å; E132-K243 WeakPolarHBondContact OE2-CE 3.22Å; E132-K243 IonicContact OE2-NZ 3.39Å; E132-K243 PolarHBondContact OE2-NZ 3.23Å; E132-Y382 HydrophobicContact CG-CD2 3.46Å; E132-Y382 VanDerWaalsContact CG-CD2 3.46Å; E132-Y382 HydrophobicContact CG-CE2 4.11Å; E132-Y382 HydrophobicContact CG-CG 4.04Å; E132-Y382 WeakPolarHBondContact OE2-CE2 3.44Å
133	T	98.6	Very high	98.7	Very high	7 Å²	7	37.2 Å²	37.2	4%	0.043	20%	0.197	C	C	.	.			trans	-97.3	90.8	176.6	-55.6	0	0	0	0	109.1	I102 T131 D196 I197	I102-T133 HydrophobicContact CB-CG2 3.97Å; I102-T133 HydrophobicContact CG2-CG2 4.38Å; T131-T133 PolarHBondContact OG1-N 2.84Å; T131-T133 VanDerWaalsContact OG1-N 3.08Å; T133-D196 PolarHBondContact N-OD1 2.74Å; T133-D196 VanDerWaalsContact OG1-CA 3.3Å; T133-D196 WeakPolarHBondContact OG1-CA 3.34Å; T133-D196 WeakPolarHBondContact OG1-CB 3.21Å; T133-D196 PolarHBondContact OG1-OD1 3.38Å; T133-I197 HydrophobicContact CG2-CB 4.3Å; T133-I197 PolarHBondContact OG1-N 2.79Å
134	I	98.3	Very high	98.7	Very high	70 Å²	70	36.9 Å²	36.9	36%	0.359	19%	0.194	S	C	.	.			trans	-97.7	114.3	-170.2	-51.4	-55.9	0	0	0	110.7	D136 Y471	I134-D136 VanDerWaalsContact CG2-O 3.22Å; I134-D136 WeakPolarHBondContact CG2-O 3.23Å; I134-Y471 PolarHBondContact O-OH 3.5Å
135	I	98.1	Very high	98.7	Very high	46 Å²	46	36.9 Å²	36.9	24%	0.236	19%	0.194	C	C	.	.	S	Bend	trans	-110.1	-9.7	175.3	57.9	170.4	0	0	0	113.5	I102 N103	I102-I135 HydrophobicContact CG2-CD1 3.61Å; I102-I135 HydrophobicContact CG2-CG1 3.74Å; I102-I135 HydrophobicContact CG2-CG2 4.35Å; N103-I135 WeakPolarHBondContact ND2-CD1 3.44Å
136	D	98.6	Very high	98.7	Very high	84 Å²	84	37.9 Å²	37.9	45%	0.449	20%	0.198	S	C	.	.			trans	-144	139.1	169.8	-168.4	-60.4	0	0	0	108.7	I134 S138 K139	I134-D136 VanDerWaalsContact CG2-O 3.22Å; I134-D136 WeakPolarHBondContact CG2-O 3.23Å; D136-S138 PolarHBondContact OD1-N 3.12Å; D136-K139 HydrophobicContact CB-CB 4.12Å; D136-K139 PolarHBondContact OD1-N 3.05Å
137	K	98.1	Very high	98.7	Very high	180 Å²	180	42 Å²	42	78%	0.783	22%	0.219	S	C	*	.	S	Bend	trans	-86.5	-9.8	-174.4	-64.7	-179.1	-65	-176.7	0	113.7	L246	K137-L246 HydrophobicContact CD-CD1 4.18Å
138	S	98.4	Very high	98.7	Very high	116 Å²	116	42.9 Å²	42.9	81%	0.811	22%	0.223	S	C	*	.	S	Bend	trans	-128.9	-40.7	-177	-174.1	0	0	0	0	112.2	D136 A140	D136-S138 PolarHBondContact OD1-N 3.12Å; S138-A140 PolarHBondContact O-N 3.42Å
139	K	98.8	Very high	98.7	Very high	110 Å²	110	42.4 Å²	42.4	48%	0.478	22%	0.221	S	C	.	.	S	Bend	trans	-83.8	110.2	-177.8	-177.3	175.8	166.4	61.3	0	110.3	D136 T143	D136-K139 HydrophobicContact CB-CB 4.12Å; D136-K139 PolarHBondContact OD1-N 3.05Å; K139-T143 WeakPolarHBondContact CG-OG1 3.47Å; K139-T143 PolarHBondContact NZ-OG1 3.41Å
140	A	98.8	Very high	98.6	Very high	17 Å²	17	45.9 Å²	45.9	14%	0.14	24%	0.237	C	C	.	.			trans	-64	143.4	175.6	0	0	0	0	0	112.7	S138 K142 T143 D161	S138-A140 PolarHBondContact O-N 3.42Å; A140-K142 HydrophobicContact CB-CB 4.39Å; A140-K142 PolarHBondContact O-N 3.03Å; A140-T143 HydrophobicContact CB-CG2 4.3Å; A140-T143 PolarHBondContact O-N 2.96Å; A140-T143 PolarHBondContact O-OG1 2.86Å; A140-D161 VanDerWaalsContact CA-OD2 3.32Å; A140-D161 WeakPolarHBondContact CA-OD2 3.38Å; A140-D161 HydrophobicContact CB-CB 4.05Å; A140-D161 VanDerWaalsContact CB-CG 3.47Å; A140-D161 WeakPolarHBondContact CB-OD1 3.3Å
141	V	98.9	Very high	98.5	Very high	7 Å²	7	53.2 Å²	53.2	4%	0.042	28%	0.276	C	S	.	.	H	α-helix	trans	-53.1	-39.9	168.8	178.2	0	0	0	0	110.3	I102 C106 V129 T131 T143 V144 L145 D161	I102-V141 HydrophobicContact CG1-CG2 4Å; I102-V141 HydrophobicContact CG2-CG2 4.15Å; C106-V141 HydrophobicContact CB-CG1 3.99Å; V129-V141 HydrophobicContact CB-CB 4.33Å; V129-V141 HydrophobicContact CG1-CB 4.11Å; V129-V141 HydrophobicContact CG1-CG1 4.06Å; V129-V141 HydrophobicContact CG2-CB 4.19Å; V129-V141 HydrophobicContact CG2-CG1 4.08Å; T131-V141 HydrophobicContact CG2-CG2 4.28Å; V141-T143 PolarHBondContact O-N 2.89Å; V141-T143 VanDerWaalsContact O-N 3.11Å; V141-V144 WeakPolarHBondContact O-CA 3.48Å; V141-V144 WeakPolarHBondContact O-CB 3.34Å; V141-V144 PolarHBondContact O-N 3.32Å; V141-L145 HydrophobicContact CG1-CG 4.46Å; V141-L145 PolarHBondContact O-N 3.17Å; V141-D161 WeakPolarHBondContact CB-OD2 3.4Å; V141-D161 WeakPolarHBondContact CG2-OD2 3.49Å; V141-D161 VanDerWaalsContact N-CG 3.32Å; V141-D161 PolarHBondContact N-OD1 3.39Å; V141-D161 PolarHBondContact N-OD2 2.99Å
142	K	98.9	Very high	98.4	Very high	20 Å²	20	56 Å²	56	9%	0.087	30%	0.296	C	S	.	.	H	α-helix	trans	-49	-40.7	174.6	-172	-86.2	-177.6	-177.2	0	112.8	L127 V129 A140 V144 L145 M146 I157 G159 D161	L127-K142 HydrophobicContact CG-CG 4.34Å; L127-K142 WeakPolarHBondContact O-CE 3.31Å; L127-K142 VanDerWaalsContact O-CG 3.28Å; L127-K142 WeakPolarHBondContact O-CG 3.41Å; V129-K142 HydrophobicContact CG2-CB 4.15Å; A140-K142 HydrophobicContact CB-CB 4.39Å; A140-K142 PolarHBondContact O-N 3.03Å; K142-V144 VanDerWaalsContact C-N 3.28Å; K142-V144 PolarHBondContact O-N 2.9Å; K142-L145 WeakPolarHBondContact O-CB 3.27Å; K142-L145 PolarHBondContact O-N 3.07Å; K142-M146 HydrophobicContact CD-CG 4.46Å; K142-M146 HydrophobicContact CD-SD 4.36Å; K142-M146 PolarHBondContact NZ-SD 3.36Å; K142-M146 VanDerWaalsContact NZ-SD 3.39Å; K142-M146 PolarHBondContact O-N 2.78Å; K142-I157 PolarHBondContact NZ-O 2.91Å; K142-G159 WeakPolarHBondContact CD-O 3.13Å; K142-G159 WeakPolarHBondContact CE-O 3.32Å; K142-D161 WeakPolarHBondContact CB-OD1 3.36Å; K142-D161 PolarHBondContact N-OD1 3.2Å
143	T	98.9	Very high	98.4	Very high	56 Å²	56	58.2 Å²	58.2	34%	0.344	32%	0.321	S	S	.	.	H	α-helix	trans	-71.5	-22.7	-179.5	67.9	0	0	0	0	113.2	K139 A140 V141	K139-T143 WeakPolarHBondContact CG-OG1 3.47Å; K139-T143 PolarHBondContact NZ-OG1 3.41Å; A140-T143 HydrophobicContact CB-CG2 4.3Å; A140-T143 PolarHBondContact O-N 2.96Å; A140-T143 PolarHBondContact O-OG1 2.86Å; V141-T143 PolarHBondContact O-N 2.89Å; V141-T143 VanDerWaalsContact O-N 3.11Å
144	V	98.9	Very high	98.4	Very high	15 Å²	15	58.7 Å²	58.7	9%	0.091	32%	0.323	C	S	.	.	H	α-helix	trans	-77.4	-37.4	170.9	-179.7	0	0	0	0	110.2	N103 L107 V141 K142 M146 E147 Y503	N103-V144 HydrophobicContact CB-CG1 4.02Å; L107-V144 HydrophobicContact CD1-CG1 4.32Å; V141-V144 WeakPolarHBondContact O-CA 3.48Å; V141-V144 WeakPolarHBondContact O-CB 3.34Å; V141-V144 PolarHBondContact O-N 3.32Å; K142-V144 VanDerWaalsContact C-N 3.28Å; K142-V144 PolarHBondContact O-N 2.9Å; V144-M146 PolarHBondContact O-N 3.09Å; V144-E147 VanDerWaalsContact O-CB 3.32Å; V144-E147 WeakPolarHBondContact O-CB 3.24Å; V144-E147 WeakPolarHBondContact O-CG 3.48Å; V144-E147 PolarHBondContact O-N 3.39Å; V144-E147 VanDerWaalsContact O-N 3.09Å; V144-Y503 HydrophobicContact CG1-CD2 4.37Å; V144-Y503 HydrophobicContact CG1-CE2 4.06Å
145	L	98.9	Very high	98.4	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-62.7	-21.5	175	-61.9	-178.9	0	0	0	113.5	C106 L107 V110 L127 V129 V141 K142 E147 L148 F149 V193	C106-L145 HydrophobicContact CB-CD1 4.28Å; C106-L145 HydrophobicContact CB-CD2 3.79Å; C106-L145 HydrophobicContact CB-CG 4.44Å; L107-L145 HydrophobicContact CB-CD2 4.45Å; L107-L145 HydrophobicContact CD2-CD2 3.86Å; L107-L145 HydrophobicContact CG-CD2 3.95Å; V110-L145 HydrophobicContact CG2-CD1 4.26Å; V110-L145 HydrophobicContact CG2-CD2 4.49Å; L127-L145 HydrophobicContact CD1-CD1 4.3Å; L127-L145 HydrophobicContact CD2-CB 3.82Å; L127-L145 HydrophobicContact CD2-CD1 4.16Å; L127-L145 HydrophobicContact CG-CD1 4.46Å; V129-L145 HydrophobicContact CG2-CD1 3.62Å; V141-L145 HydrophobicContact CG1-CG 4.46Å; V141-L145 PolarHBondContact O-N 3.17Å; K142-L145 WeakPolarHBondContact O-CB 3.27Å; K142-L145 PolarHBondContact O-N 3.07Å; L145-E147 PolarHBondContact O-N 2.95Å; L145-L148 WeakPolarHBondContact O-CB 3.44Å; L145-L148 PolarHBondContact O-N 2.81Å; L145-F149 WeakPolarHBondContact O-CD2 3.22Å; L145-V193 HydrophobicContact CD1-CG2 4.16Å
146	M	98.9	Very high	98.5	Very high	22 Å²	22	63.2 Å²	63.2	11%	0.108	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-61.2	-21	173.6	-66.2	-50.7	-58.6	0	0	113.3	K142 V144 L148 F149 Q150 I157	K142-M146 HydrophobicContact CD-CG 4.46Å; K142-M146 HydrophobicContact CD-SD 4.36Å; K142-M146 PolarHBondContact NZ-SD 3.36Å; K142-M146 VanDerWaalsContact NZ-SD 3.39Å; K142-M146 PolarHBondContact O-N 2.78Å; V144-M146 PolarHBondContact O-N 3.09Å; M146-L148 PolarHBondContact O-N 3.12Å; M146-L148 VanDerWaalsContact O-N 3.15Å; M146-F149 HydrophobicContact CE-CB 4.05Å; M146-F149 PolarHBondContact O-N 2.76Å; M146-Q150 WeakPolarHBondContact O-CB 3.33Å; M146-Q150 WeakPolarHBondContact O-CG 3.27Å; M146-Q150 PolarHBondContact O-N 3.01Å; M146-Q150 PolarHBondContact O-OE1 2.97Å; M146-I157 HydrophobicContact CE-CB 4.42Å; M146-I157 HydrophobicContact CE-CD1 3.91Å; M146-I157 HydrophobicContact CE-CG1 4.23Å; M146-I157 HydrophobicContact SD-CD1 4.38Å
147	E	98.6	Very high	98.5	Very high	114 Å²	114	59.7 Å²	59.7	53%	0.533	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-54.9	-30.7	171	-71.2	-70.8	142.4	0	0	112.2	V144 L145 F149 Q150	V144-E147 VanDerWaalsContact O-CB 3.32Å; V144-E147 WeakPolarHBondContact O-CB 3.24Å; V144-E147 WeakPolarHBondContact O-CG 3.48Å; V144-E147 PolarHBondContact O-N 3.39Å; V144-E147 VanDerWaalsContact O-N 3.09Å; L145-E147 PolarHBondContact O-N 2.95Å; E147-F149 VanDerWaalsContact C-N 3.34Å; E147-Q150 VanDerWaalsContact CD-NE2 3.34Å; E147-Q150 PolarHBondContact OE1-NE2 3.39Å; E147-Q150 PolarHBondContact OE2-NE2 2.99Å
148	L	98.8	Very high	98.5	Very high	18 Å²	18	55.2 Å²	55.2	9%	0.094	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-75.2	-23.1	177.3	-58.3	178.5	0	0	0	113.2	L107 V110 Q111 W121 L145 M146 W490	L107-L148 HydrophobicContact CD2-CD1 3.88Å; L107-L148 HydrophobicContact CD2-CD2 3.95Å; L107-L148 HydrophobicContact CD2-CG 3.69Å; V110-L148 HydrophobicContact CB-CD1 3.97Å; V110-L148 HydrophobicContact CG1-CD1 3.58Å; Q111-L148 HydrophobicContact CB-CD1 4.26Å; Q111-L148 HydrophobicContact CB-CD2 4.39Å; W121-L148 HydrophobicContact CE3-CB 4.5Å; W121-L148 HydrophobicContact CH2-CB 4.01Å; W121-L148 HydrophobicContact CZ3-CB 3.63Å; W121-L148 VanDerWaalsContact CZ3-O 3.29Å; W121-L148 WeakPolarHBondContact CZ3-O 3.39Å; L145-L148 WeakPolarHBondContact O-CB 3.44Å; L145-L148 PolarHBondContact O-N 2.81Å; M146-L148 PolarHBondContact O-N 3.12Å; M146-L148 VanDerWaalsContact O-N 3.15Å; L148-W490 HydrophobicContact CD2-CZ2 3.7Å
149	F	98.7	Very high	98.5	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.6	-31.5	-171.9	-68.2	-94.6	0	0	0	113.1	V110 M114 W121 V124 L127 L145 M146 E147 D151 S152 I157	V110-F149 HydrophobicContact CG1-CE2 4.42Å; M114-F149 HydrophobicContact CE-CE1 3.99Å; M114-F149 HydrophobicContact CE-CZ 4.21Å; M114-F149 HydrophobicContact SD-CE1 4.06Å; M114-F149 HydrophobicContact SD-CE2 4.43Å; M114-F149 HydrophobicContact SD-CZ 3.64Å; W121-F149 HydrophobicContact CB-CD1 4.39Å; W121-F149 AromaticContact CE3-CD1 3.8Å; W121-F149 HydrophobicContact CE3-CD1 3.8Å; W121-F149 HydrophobicContact CE3-CD2 4.45Å; W121-F149 AromaticContact CE3-CE1 3.79Å; W121-F149 HydrophobicContact CE3-CE1 3.79Å; W121-F149 HydrophobicContact CE3-CE2 4.44Å; W121-F149 HydrophobicContact CE3-CG 4.14Å; W121-F149 HydrophobicContact CE3-CZ 4.12Å; W121-F149 HydrophobicContact CZ3-CE1 4.39Å; W121-F149 HydrophobicContact CZ3-CE2 4.34Å; W121-F149 HydrophobicContact CZ3-CZ 4.26Å; W121-F149 WeakPolarHBondContact O-CD1 3.41Å; V124-F149 HydrophobicContact CB-CE1 3.9Å; V124-F149 HydrophobicContact CB-CZ 4.46Å; V124-F149 HydrophobicContact CG1-CE1 4.37Å; V124-F149 HydrophobicContact CG2-CE1 3.98Å; V124-F149 HydrophobicContact CG2-CZ 4.37Å; L127-F149 HydrophobicContact CD2-CD2 4.42Å; L127-F149 HydrophobicContact CD2-CE2 3.87Å; L145-F149 WeakPolarHBondContact O-CD2 3.22Å; M146-F149 HydrophobicContact CE-CB 4.05Å; M146-F149 PolarHBondContact O-N 2.76Å; E147-F149 VanDerWaalsContact C-N 3.34Å; F149-D151 VanDerWaalsContact C-N 3.32Å; F149-D151 PolarHBondContact O-N 3.04Å; F149-S152 WeakPolarHBondContact O-CB 3.49Å; F149-S152 PolarHBondContact O-N 3.34Å; F149-S152 PolarHBondContact O-OG 3.48Å; F149-I157 HydrophobicContact CB-CD1 4.1Å; F149-I157 HydrophobicContact CD1-CD1 3.54Å; F149-I157 HydrophobicContact CD2-CD1 4.44Å; F149-I157 HydrophobicContact CE1-CD1 4.04Å; F149-I157 HydrophobicContact CG-CD1 3.77Å
150	Q	96.8	Very high	98.5	Very high	73 Å²	73	50.2 Å²	50.2	34%	0.341	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-61.3	-36.3	-166.7	66.7	-166.1	34.3	0	0	113.7	M146 E147 S152 G153 T155	M146-Q150 WeakPolarHBondContact O-CB 3.33Å; M146-Q150 WeakPolarHBondContact O-CG 3.27Å; M146-Q150 PolarHBondContact O-N 3.01Å; M146-Q150 PolarHBondContact O-OE1 2.97Å; E147-Q150 VanDerWaalsContact CD-NE2 3.34Å; E147-Q150 PolarHBondContact OE1-NE2 3.39Å; E147-Q150 PolarHBondContact OE2-NE2 2.99Å; Q150-S152 VanDerWaalsContact C-N 3.25Å; Q150-S152 PolarHBondContact O-N 3.37Å; Q150-G153 PolarHBondContact O-N 2.88Å; Q150-T155 HydrophobicContact CB-CG2 4.46Å
151	D	97.1	Very high	98.5	Very high	153 Å²	153	51 Å²	51	82%	0.818	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-70.3	-22.6	179.1	-70.6	-4.7	0	0	0	112.8	F149 G153	F149-D151 VanDerWaalsContact C-N 3.32Å; F149-D151 PolarHBondContact O-N 3.04Å; D151-G153 PolarHBondContact O-N 3.46Å
152	S	97.7	Very high	98.5	Very high	60 Å²	60	52.3 Å²	52.3	42%	0.42	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-76.2	-11.6	171.9	76.9	0	0	0	0	113.2	W121 F149 Q150 N154	W121-S152 WeakPolarHBondContact CB-OG 3.23Å; F149-S152 WeakPolarHBondContact O-CB 3.49Å; F149-S152 PolarHBondContact O-N 3.34Å; F149-S152 PolarHBondContact O-OG 3.48Å; Q150-S152 VanDerWaalsContact C-N 3.25Å; Q150-S152 PolarHBondContact O-N 3.37Å; S152-N154 VanDerWaalsContact C-N 3.29Å; S152-N154 PolarHBondContact OG-N 2.8Å
153	G	98.3	Very high	98.5	Very high	55 Å²	55	54.9 Å²	54.9	57%	0.567	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.4	-4.9	-171.7	0	0	0	0	0	114.6	Q150 D151 T155	Q150-G153 PolarHBondContact O-N 2.88Å; D151-G153 PolarHBondContact O-N 3.46Å; G153-T155 PolarHBondContact O-N 3Å
154	N	98.5	Very high	98.5	Very high	16 Å²	16	55 Å²	55	9%	0.086	31%	0.312	C	S	.	.			trans	-79.7	86.6	175.9	-172.3	24.5	0	0	0	111.7	W121 V124 S152 I157 R188	W121-N154 PolarHBondContact O-ND2 2.97Å; V124-N154 PolarHBondContact O-ND2 3.27Å; S152-N154 VanDerWaalsContact C-N 3.29Å; S152-N154 PolarHBondContact OG-N 2.8Å; N154-I157 WeakPolarHBondContact ND2-CD1 3.36Å; N154-R188 PolarHBondContact OD1-NH1 3.14Å
155	T	98.6	Very high	98.5	Very high	96 Å²	96	55 Å²	55	59%	0.589	31%	0.314	S	S	*	.			trans	-107.7	-10.8	177.7	59.4	0	0	0	0	113.9	Q150 G153 I157	Q150-T155 HydrophobicContact CB-CG2 4.46Å; G153-T155 PolarHBondContact O-N 3Å; T155-I157 VanDerWaalsContact C-N 3.31Å; T155-I157 PolarHBondContact O-N 2.87Å; T155-I157 VanDerWaalsContact O-N 3.09Å
156	D	98.8	Very high	98.5	Very high	116 Å²	116	55.5 Å²	55.5	62%	0.62	32%	0.318	S	S	*	.			trans	-84.3	76.4	175.5	-174.1	21.3	0	0	0	110	R188	D156-R188 PolarHBondContact O-NH1 3.37Å; D156-R188 VanDerWaalsContact O-NH1 3.07Å; D156-R188 PolarHBondContact O-NH2 3.3Å; D156-R188 IonicContact OD2-NH2 3.18Å
157	I	98.9	Very high	98.5	Very high	10 Å²	10	55.1 Å²	55.1	5%	0.051	32%	0.315	C	S	.	.			trans	-131.3	112.2	-178	-50.7	-174.4	0	0	0	109	V124 G125 L127 K142 M146 F149 N154 T155	V124-I157 HydrophobicContact CG1-CG2 4.29Å; G125-I157 WeakPolarHBondContact O-CA 3.41Å; L127-I157 HydrophobicContact CB-CG2 3.67Å; K142-I157 PolarHBondContact NZ-O 2.91Å; M146-I157 HydrophobicContact CE-CB 4.42Å; M146-I157 HydrophobicContact CE-CD1 3.91Å; M146-I157 HydrophobicContact CE-CG1 4.23Å; M146-I157 HydrophobicContact SD-CD1 4.38Å; F149-I157 HydrophobicContact CB-CD1 4.1Å; F149-I157 HydrophobicContact CD1-CD1 3.54Å; F149-I157 HydrophobicContact CD2-CD1 4.44Å; F149-I157 HydrophobicContact CE1-CD1 4.04Å; F149-I157 HydrophobicContact CG-CD1 3.77Å; N154-I157 WeakPolarHBondContact ND2-CD1 3.36Å; T155-I157 VanDerWaalsContact C-N 3.31Å; T155-I157 PolarHBondContact O-N 2.87Å; T155-I157 VanDerWaalsContact O-N 3.09Å
158	E	98.9	Very high	98.5	Very high	86 Å²	86	49.7 Å²	49.7	40%	0.402	29%	0.29	S	S	.	.	B	Isolated β-bridge	trans	-66.7	167.1	176.7	-79.6	-167.6	-173.9	0	0	113	G125 R126 L127 W179	G125-E158 PolarHBondContact O-N 3.37Å; R126-E158 CarbonylContact C-O 3.53Å; R126-E158 WeakPolarHBondContact CA-O 3.41Å; R126-E158 HydrophobicContact CB-CB 4.37Å; R126-E158 HydrophobicContact CG-CB 4.22Å; R126-E158 IonicContact NH1-OE2 3.07Å; R126-E158 PolarHBondContact NH1-OE2 2.72Å; L127-E158 PolarHBondContact N-O 2.89Å; L127-E158 VanDerWaalsContact O-O 3.13Å; E158-W179 PolarHBondContact OE2-NE1 2.95Å
159	G	98.5	Very high	98.5	Very high	14 Å²	14	48.8 Å²	48.8	14%	0.144	29%	0.285	C	S	.	.			trans	97.6	153.3	176.7	0	0	0	0	0	113.4	L127 K142	L127-G159 CarbonylContact O-C 3.54Å; L127-G159 WeakPolarHBondContact O-CA 3.4Å; K142-G159 WeakPolarHBondContact CD-O 3.13Å; K142-G159 WeakPolarHBondContact CE-O 3.32Å
160	I	98.8	Very high	98.5	Very high	107 Å²	107	48.8 Å²	48.8	55%	0.549	29%	0.285	S	S	.	.			trans	-136.7	-135.7	177.8	53.6	159.6	0	0	0	109.7	E128 V129	E128-I160 WeakPolarHBondContact CA-O 3.34Å; E128-I160 WeakPolarHBondContact CG-O 3.31Å; E128-I160 PolarHBondContact OE2-N 3Å; V129-I160 PolarHBondContact N-O 3.47Å
161	D	98.9	Very high	98.6	Very high	34 Å²	34	46.1 Å²	46.1	18%	0.182	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	149.5	168.8	-69.4	10.9	0	0	0	109.9	V129 A140 V141 K142	V129-D161 WeakPolarHBondContact CB-OD1 3.28Å; V129-D161 CarbonylContact O-C 3.48Å; V129-D161 VanDerWaalsContact O-CA 3.22Å; V129-D161 WeakPolarHBondContact O-CA 3.4Å; A140-D161 VanDerWaalsContact CA-OD2 3.32Å; A140-D161 WeakPolarHBondContact CA-OD2 3.38Å; A140-D161 HydrophobicContact CB-CB 4.05Å; A140-D161 VanDerWaalsContact CB-CG 3.47Å; A140-D161 WeakPolarHBondContact CB-OD1 3.3Å; V141-D161 WeakPolarHBondContact CB-OD2 3.4Å; V141-D161 WeakPolarHBondContact CG2-OD2 3.49Å; V141-D161 VanDerWaalsContact N-CG 3.32Å; V141-D161 PolarHBondContact N-OD1 3.39Å; V141-D161 PolarHBondContact N-OD2 2.99Å; K142-D161 WeakPolarHBondContact CB-OD1 3.36Å; K142-D161 PolarHBondContact N-OD1 3.2Å
162	T	98.9	Very high	98.7	Very high	33 Å²	33	38.8 Å²	38.8	20%	0.202	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	128.5	174.1	173.4	0	0	0	0	110.7	E128 V129 G130 G168 A171	E128-T162 HydrophobicContact CG-CG2 4.12Å; V129-T162 PolarHBondContact O-N 2.73Å; G130-T162 WeakPolarHBondContact CA-O 3.25Å; T162-G168 WeakPolarHBondContact CG2-O 3.31Å; T162-G168 WeakPolarHBondContact O-CA 3.49Å; T162-A171 HydrophobicContact CG2-CB 4.05Å
163	T	98.9	Very high	98.8	Very high	74 Å²	74	36 Å²	36	45%	0.454	22%	0.216	S	C	.	.			trans	-132.6	126.4	-170.1	-61.1	0	0	0	0	112.1	T131 E132	T131-T163 WeakPolarHBondContact O-CB 3.43Å; T131-T163 VanDerWaalsContact O-CG2 3.26Å; T131-T163 WeakPolarHBondContact O-CG2 3.48Å; T131-T163 PolarHBondContact O-OG1 3.45Å; E132-T163 HydrophobicContact CB-CG2 4.5Å
164	N	98.8	Very high	98.8	Very high	58 Å²	58	33.9 Å²	33.9	31%	0.31	19%	0.192	S	C	.	.	S	Bend	trans	-154.8	92.1	153.1	-179.1	99.4	0	0	0	107.4	C166 Y167 S414 A417	N164-C166 PolarHBondContact O-N 2.57Å; N164-Y167 VanDerWaalsContact O-CB 3.25Å; N164-Y167 WeakPolarHBondContact O-CB 3.33Å; N164-Y167 PolarHBondContact O-N 3.4Å; N164-S414 PolarHBondContact ND2-O 2.99Å; N164-S414 VanDerWaalsContact ND2-O 3.13Å; N164-A417 HydrophobicContact CB-CB 4.48Å
165	A	98.5	Very high	98.8	Very high	15 Å²	15	35.9 Å²	35.9	12%	0.124	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	43.9	-138.3	-175.7	0	0	0	0	0	111.4	E132 Y167 T383 S414	E132-A165 WeakPolarHBondContact OE1-CA 3.47Å; A165-Y167 PolarHBondContact O-N 2.89Å; A165-T383 VanDerWaalsContact O-CG2 3.23Å; A165-T383 WeakPolarHBondContact O-CG2 3.41Å; A165-S414 WeakPolarHBondContact CB-O 3.25Å
166	C	98.6	Very high	98.8	Very high	12 Å²	12	31.3 Å²	31.3	8%	0.081	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-68.6	0.2	179.8	-52.5	0	0	0	0	114.9	E132 N164 Y382 T383 Y412	E132-C166 PolarHBondContact OE1-N 2.9Å; E132-C166 PolarHBondContact OE1-SG 3.1Å; N164-C166 PolarHBondContact O-N 2.57Å; C166-Y382 VanDerWaalsContact SG-CA 3.53Å; C166-Y382 VanDerWaalsContact SG-CB 3.55Å; C166-Y382 WeakPolarHBondContact SG-CD1 3.16Å; C166-T383 WeakPolarHBondContact O-CA 3.34Å; C166-Y412 VanDerWaalsContact CB-O 3.25Å; C166-Y412 WeakPolarHBondContact CB-O 3.39Å
167	Y	98.9	Very high	98.8	Very high	13 Å²	13	25.9 Å²	25.9	5%	0.051	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-87.8	-17.2	-178.6	-173.2	-104.1	0	0	0	113.7	N164 A165 G169 T170 A171 M235 S411 A417 S419	N164-Y167 VanDerWaalsContact O-CB 3.25Å; N164-Y167 WeakPolarHBondContact O-CB 3.33Å; N164-Y167 PolarHBondContact O-N 3.4Å; A165-Y167 PolarHBondContact O-N 2.89Å; Y167-G169 VanDerWaalsContact C-N 3.29Å; Y167-G169 PolarHBondContact O-N 3.24Å; Y167-G169 VanDerWaalsContact O-N 3.14Å; Y167-T170 HydrophobicContact CE2-CG2 3.93Å; Y167-T170 PolarHBondContact O-N 3.09Å; Y167-A171 HydrophobicContact CD1-CB 4.24Å; Y167-A171 HydrophobicContact CE1-CB 4.1Å; Y167-A171 PolarHBondContact O-N 2.89Å; Y167-A171 VanDerWaalsContact O-N 3.09Å; Y167-M235 HydrophobicContact CE1-CE 4.42Å; Y167-S411 WeakPolarHBondContact CD2-OG 3.5Å; Y167-A417 HydrophobicContact CD1-CB 3.86Å; Y167-A417 HydrophobicContact CE1-CB 4.32Å; Y167-A417 HydrophobicContact CG-CB 4Å; Y167-S419 PolarHBondContact OH-OG 2.91Å
168	G	98.8	Very high	98.8	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-52.6	-40	-172	0	0	0	0	0	114.6	G130 T162 T170 A171 S172	G130-G168 VanDerWaalsContact CA-C 3.45Å; T162-G168 WeakPolarHBondContact CG2-O 3.31Å; T162-G168 WeakPolarHBondContact O-CA 3.49Å; G168-T170 VanDerWaalsContact C-N 3.32Å; G168-T170 PolarHBondContact O-N 2.73Å; G168-A171 WeakPolarHBondContact O-CB 3.48Å; G168-A171 PolarHBondContact O-N 2.79Å; G168-S172 PolarHBondContact O-N 2.88Å
169	G	98.9	Very high	98.8	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-62.9	-36.2	177.3	0	0	0	0	0	113.4	Y167 S172 L173	Y167-G169 VanDerWaalsContact C-N 3.29Å; Y167-G169 PolarHBondContact O-N 3.24Å; Y167-G169 VanDerWaalsContact O-N 3.14Å; G169-S172 PolarHBondContact O-N 3.1Å; G169-L173 PolarHBondContact O-N 3.02Å
170	T	98.9	Very high	98.8	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-74.9	-34.5	176	-56.6	0	0	0	0	112.8	Y167 G168 L173 F174 Y387 S411 F421	Y167-T170 HydrophobicContact CE2-CG2 3.93Å; Y167-T170 PolarHBondContact O-N 3.09Å; G168-T170 VanDerWaalsContact C-N 3.32Å; G168-T170 PolarHBondContact O-N 2.73Å; T170-L173 PolarHBondContact O-N 3.12Å; T170-F174 HydrophobicContact CG2-CD1 4.45Å; T170-F174 HydrophobicContact CG2-CD2 4.23Å; T170-F174 HydrophobicContact CG2-CE1 4Å; T170-F174 HydrophobicContact CG2-CE2 3.76Å; T170-F174 HydrophobicContact CG2-CZ 3.64Å; T170-F174 WeakPolarHBondContact O-CG 3.34Å; T170-F174 PolarHBondContact O-N 3.13Å; T170-Y387 WeakPolarHBondContact CA-OH 3.13Å; T170-Y387 WeakPolarHBondContact CB-OH 3.1Å; T170-Y387 PolarHBondContact N-OH 2.81Å; T170-Y387 PolarHBondContact OG1-OH 2.93Å; T170-S411 WeakPolarHBondContact CB-OG 3.32Å; T170-S411 WeakPolarHBondContact OG1-CB 3.33Å; T170-S411 PolarHBondContact OG1-OG 3.27Å; T170-F421 HydrophobicContact CG2-CD1 4.43Å; T170-F421 HydrophobicContact CG2-CE1 3.8Å; T170-F421 HydrophobicContact CG2-CZ 4.28Å
171	A	98.9	Very high	98.7	Very high	16 Å²	16	21.8 Å²	21.8	13%	0.132	12%	0.122	C	C	.	.	H	α-helix	trans	-58.7	-48.5	169.4	0	0	0	0	0	110.9	T162 Y167 G168 L173 F174 N175	T162-A171 HydrophobicContact CG2-CB 4.05Å; Y167-A171 HydrophobicContact CD1-CB 4.24Å; Y167-A171 HydrophobicContact CE1-CB 4.1Å; Y167-A171 PolarHBondContact O-N 2.89Å; Y167-A171 VanDerWaalsContact O-N 3.09Å; G168-A171 WeakPolarHBondContact O-CB 3.48Å; G168-A171 PolarHBondContact O-N 2.79Å; A171-L173 PolarHBondContact O-N 3.41Å; A171-F174 PolarHBondContact O-N 2.86Å; A171-N175 WeakPolarHBondContact O-CB 3.34Å; A171-N175 PolarHBondContact O-N 2.94Å; A171-N175 PolarHBondContact O-ND2 3.29Å; A171-N175 PolarHBondContact O-OD1 2.68Å
172	S	98.9	Very high	98.6	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-59.9	-44.1	176.8	179.1	0	0	0	0	112.3	E128 G168 G169 F174 N175 A176 V192	E128-S172 WeakPolarHBondContact CB-OG 3.25Å; E128-S172 WeakPolarHBondContact CG-OG 3.43Å; E128-S172 PolarHBondContact O-OG 3.19Å; G168-S172 PolarHBondContact O-N 2.88Å; G169-S172 PolarHBondContact O-N 3.1Å; S172-F174 VanDerWaalsContact C-N 3.35Å; S172-F174 PolarHBondContact O-N 2.85Å; S172-N175 PolarHBondContact O-N 3.47Å; S172-A176 WeakPolarHBondContact O-CB 3.45Å; S172-A176 PolarHBondContact O-N 3.47Å; S172-V192 WeakPolarHBondContact OG-CG1 3.11Å
173	L	98.9	Very high	98.4	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-57.7	-44.8	174.4	177.4	63.6	0	0	0	112.8	G169 T170 A171 A176 A177 V192 I218 L226 Y387 F421 F423	G169-L173 PolarHBondContact O-N 3.02Å; T170-L173 PolarHBondContact O-N 3.12Å; A171-L173 PolarHBondContact O-N 3.41Å; L173-A176 PolarHBondContact O-N 2.93Å; L173-A177 PolarHBondContact O-N 2.86Å; L173-A177 VanDerWaalsContact O-N 3.08Å; L173-V192 HydrophobicContact CB-CG1 4.49Å; L173-I218 HydrophobicContact CD1-CD1 3.52Å; L173-I218 HydrophobicContact CD1-CG1 4.18Å; L173-L226 HydrophobicContact CD1-CD1 4.45Å; L173-L226 HydrophobicContact CD2-CD2 4.5Å; L173-L226 HydrophobicContact CG-CD1 4.44Å; L173-Y387 HydrophobicContact CD2-CE1 3.9Å; L173-Y387 WeakPolarHBondContact CD2-OH 3.48Å; L173-F421 HydrophobicContact CD2-CE2 4.09Å; L173-F421 HydrophobicContact CD2-CZ 4.24Å; L173-F423 HydrophobicContact CD2-CE1 4.48Å; L173-F423 HydrophobicContact CD2-CZ 4.06Å
174	F	98.9	Very high	98.3	Very high	12 Å²	12	26.5 Å²	26.5	5%	0.053	16%	0.163	C	C	.	.	H	α-helix	trans	-68.4	-40	179	-70.3	-9.8	0	0	0	112.1	T170 A171 S172 A177 N178 R231 F421	T170-F174 HydrophobicContact CG2-CD1 4.45Å; T170-F174 HydrophobicContact CG2-CD2 4.23Å; T170-F174 HydrophobicContact CG2-CE1 4Å; T170-F174 HydrophobicContact CG2-CE2 3.76Å; T170-F174 HydrophobicContact CG2-CZ 3.64Å; T170-F174 WeakPolarHBondContact O-CG 3.34Å; T170-F174 PolarHBondContact O-N 3.13Å; A171-F174 PolarHBondContact O-N 2.86Å; S172-F174 VanDerWaalsContact C-N 3.35Å; S172-F174 PolarHBondContact O-N 2.85Å; F174-A177 PolarHBondContact O-N 2.81Å; F174-N178 WeakPolarHBondContact O-CB 3.21Å; F174-N178 PolarHBondContact O-N 3.34Å; F174-N178 PolarHBondContact O-ND2 2.87Å; F174-N178 PolarHBondContact O-OD1 3.29Å; F174-N178 VanDerWaalsContact O-OD1 3.13Å; F174-R231 HydrophobicContact CE1-CG 4.22Å; F174-R231 HydrophobicContact CE2-CG 4.24Å; F174-R231 HydrophobicContact CZ-CG 3.91Å; F174-F421 HydrophobicContact CE1-CB 4.41Å; F174-F421 HydrophobicContact CE1-CD1 4.14Å; F174-F421 HydrophobicContact CE1-CD2 4.05Å; F174-F421 HydrophobicContact CE1-CE1 4.42Å; F174-F421 HydrophobicContact CE1-CE2 4.3Å; F174-F421 AromaticContact CE1-CG 3.95Å; F174-F421 HydrophobicContact CE1-CG 3.95Å; F174-F421 HydrophobicContact CE1-CZ 4.5Å; F174-F421 HydrophobicContact CZ-CB 4.11Å; F174-F421 AromaticContact CZ-CD1 3.71Å; F174-F421 HydrophobicContact CZ-CD1 3.71Å; F174-F421 HydrophobicContact CZ-CD2 4.39Å; F174-F421 HydrophobicContact CZ-CE1 4.2Å; F174-F421 AromaticContact CZ-CG 3.82Å; F174-F421 HydrophobicContact CZ-CG 3.82Å
175	N	98.9	Very high	98.2	Very high	57 Å²	57	26.9 Å²	26.9	31%	0.305	16%	0.16	S	C	.	.	H	α-helix	trans	-62.8	-42.6	175.5	-67.6	-14.8	0	0	0	111.6	E128 A171 S172 N178 W179	E128-N175 WeakPolarHBondContact OE1-CB 3.36Å; E128-N175 PolarHBondContact OE1-ND2 2.77Å; A171-N175 WeakPolarHBondContact O-CB 3.34Å; A171-N175 PolarHBondContact O-N 2.94Å; A171-N175 PolarHBondContact O-ND2 3.29Å; A171-N175 PolarHBondContact O-OD1 2.68Å; S172-N175 PolarHBondContact O-N 3.47Å; N175-N178 PolarHBondContact O-N 3.09Å; N175-W179 WeakPolarHBondContact O-CB 3.2Å; N175-W179 PolarHBondContact O-N 2.86Å
176	A	98.9	Very high	98.1	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.008	17%	0.168	C	C	.	.	H	α-helix	trans	-61.1	-46.6	176.2	0	0	0	0	0	112.4	S172 L173 W179 M180 A190 V192 I218	S172-A176 WeakPolarHBondContact O-CB 3.45Å; S172-A176 PolarHBondContact O-N 3.47Å; L173-A176 PolarHBondContact O-N 2.93Å; A176-W179 PolarHBondContact O-N 3.3Å; A176-M180 WeakPolarHBondContact O-CB 3.12Å; A176-M180 PolarHBondContact O-N 2.9Å; A176-A190 HydrophobicContact CB-CB 3.74Å; A176-V192 HydrophobicContact CB-CG2 3.61Å; A176-I218 HydrophobicContact CB-CG1 4.24Å
177	A	98.8	Very high	98	Very high	2 Å²	2	30.7 Å²	30.7	2%	0.017	19%	0.189	C	C	.	.	H	α-helix	trans	-63.4	-43.3	176.1	0	0	0	0	0	111.9	V54 L173 F174 M180 E181 L226	V54-A177 HydrophobicContact CG1-CB 4.17Å; L173-A177 PolarHBondContact O-N 2.86Å; L173-A177 VanDerWaalsContact O-N 3.08Å; F174-A177 PolarHBondContact O-N 2.81Å; A177-M180 PolarHBondContact O-N 3Å; A177-E181 WeakPolarHBondContact O-CG 3.32Å; A177-E181 PolarHBondContact O-N 2.74Å; A177-L226 HydrophobicContact CB-CD1 3.66Å
178	N	98.8	Very high	98	Very high	77 Å²	77	32.4 Å²	32.4	41%	0.412	20%	0.195	S	C	.	.	H	α-helix	trans	-64	-42.5	177.8	-65.1	-7.6	0	0	0	111.7	F174 N175 M180 E181 S182 R231	F174-N178 WeakPolarHBondContact O-CB 3.21Å; F174-N178 PolarHBondContact O-N 3.34Å; F174-N178 PolarHBondContact O-ND2 2.87Å; F174-N178 PolarHBondContact O-OD1 3.29Å; F174-N178 VanDerWaalsContact O-OD1 3.13Å; N175-N178 PolarHBondContact O-N 3.09Å; N178-M180 VanDerWaalsContact C-N 3.34Å; N178-E181 CarbonylContact O-C 3.56Å; N178-E181 PolarHBondContact O-N 2.98Å; N178-S182 WeakPolarHBondContact O-CB 3.46Å; N178-S182 PolarHBondContact O-N 3.5Å; N178-S182 VanDerWaalsContact O-N 3.11Å; N178-R231 PolarHBondContact OD1-NH1 2.97Å; N178-R231 PolarHBondContact OD1-NH2 3.43Å
179	W	98.6	Very high	98	Very high	13 Å²	13	36.3 Å²	36.3	5%	0.049	21%	0.211	C	C	.	.	H	α-helix	trans	-59	-46.4	175.9	169.1	83	0	0	0	110.9	R126 E158 N175 A176 E181 S182 W185 A190	R126-W179 HydrophobicContact CB-CD2 3.93Å; R126-W179 HydrophobicContact CB-CE3 3.94Å; R126-W179 HydrophobicContact CB-CH2 4.12Å; R126-W179 HydrophobicContact CB-CZ2 4.13Å; R126-W179 HydrophobicContact CB-CZ3 4.02Å; R126-W179 HydrophobicContact CG-CD2 4.46Å; E158-W179 PolarHBondContact OE2-NE1 2.95Å; N175-W179 WeakPolarHBondContact O-CB 3.2Å; N175-W179 PolarHBondContact O-N 2.86Å; A176-W179 PolarHBondContact O-N 3.3Å; W179-E181 VanDerWaalsContact C-N 3.3Å; W179-E181 PolarHBondContact O-N 3.33Å; W179-S182 VanDerWaalsContact O-CB 3.28Å; W179-S182 WeakPolarHBondContact O-CB 3.47Å; W179-S182 PolarHBondContact O-N 3.07Å; W179-S182 PolarHBondContact O-OG 3.02Å; W179-W185 AromaticContact CE3-CD1 3.9Å; W179-W185 AromaticContact CH2-CD1 3.44Å; W179-W185 VanDerWaalsContact CH2-CD1 3.44Å; W179-W185 AromaticContact CH2-NE1 3.89Å; W179-W185 AromaticContact CZ2-CD1 3.93Å; W179-W185 AromaticContact CZ3-CD1 3.41Å; W179-W185 VanDerWaalsContact CZ3-CD1 3.41Å; W179-W185 AromaticContact CZ3-NE1 3.77Å; W179-A190 HydrophobicContact CE3-CB 3.91Å; W179-A190 HydrophobicContact CZ3-CB 3.85Å
180	M	98.3	Very high	98	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-64.9	-33	179.4	-172.1	161.9	-66.8	0	0	113.1	P51 V54 A176 A177 N178 S182 W185 A190 I218 G219	P51-M180 HydrophobicContact CG-CG 4.01Å; P51-M180 VanDerWaalsContact CG-O 3.24Å; P51-M180 WeakPolarHBondContact CG-O 3.32Å; V54-M180 HydrophobicContact CB-SD 4.44Å; V54-M180 HydrophobicContact CG1-CB 4.21Å; V54-M180 HydrophobicContact CG1-CG 4.21Å; V54-M180 HydrophobicContact CG1-SD 3.76Å; V54-M180 HydrophobicContact CG2-CG 3.95Å; V54-M180 HydrophobicContact CG2-SD 3.95Å; A176-M180 WeakPolarHBondContact O-CB 3.12Å; A176-M180 PolarHBondContact O-N 2.9Å; A177-M180 PolarHBondContact O-N 3Å; N178-M180 VanDerWaalsContact C-N 3.34Å; M180-S182 VanDerWaalsContact C-N 3.28Å; M180-W185 HydrophobicContact CG-CD2 4.01Å; M180-W185 HydrophobicContact CG-CG 4.19Å; M180-W185 HydrophobicContact CG-CZ2 4.28Å; M180-W185 WeakPolarHBondContact O-CB 3.41Å; M180-A190 HydrophobicContact CE-CB 4.41Å; M180-I218 VanDerWaalsContact CE-O 3.26Å; M180-I218 WeakPolarHBondContact CE-O 3.43Å; M180-G219 VanDerWaalsContact SD-C 3.54Å; M180-G219 WeakPolarHBondContact SD-CA 3.23Å
181	E	97.4	Very high	98	Very high	40 Å²	40	36.4 Å²	36.4	19%	0.187	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	4.6	175.5	-64.5	-177.8	150.2	0	0	113.2	W50 P51 V54 A177 N178 W179 R228	W50-E181 PolarHBondContact NE1-O 3.31Å; P51-E181 HydrophobicContact CG-CG 4.48Å; V54-E181 HydrophobicContact CG2-CG 4.03Å; A177-E181 WeakPolarHBondContact O-CG 3.32Å; A177-E181 PolarHBondContact O-N 2.74Å; N178-E181 CarbonylContact O-C 3.56Å; N178-E181 PolarHBondContact O-N 2.98Å; W179-E181 VanDerWaalsContact C-N 3.3Å; W179-E181 PolarHBondContact O-N 3.33Å; E181-R228 IonicContact OE1-CZ 3.23Å; E181-R228 VanDerWaalsContact OE1-CZ 3.23Å; E181-R228 IonicContact OE1-NE 2.8Å; E181-R228 PolarHBondContact OE1-NE 3.08Å; E181-R228 IonicContact OE1-NH2 2.74Å; E181-R228 PolarHBondContact OE1-NH2 2.81Å
182	S	96.1	Very high	98	Very high	46 Å²	46	35.6 Å²	35.6	32%	0.322	21%	0.205	S	C	.	.	S	Bend	trans	-93.9	169.7	-178.4	82.4	0	0	0	0	113.1	N178 W179 M180 S184 W185	N178-S182 WeakPolarHBondContact O-CB 3.46Å; N178-S182 PolarHBondContact O-N 3.5Å; N178-S182 VanDerWaalsContact O-N 3.11Å; W179-S182 VanDerWaalsContact O-CB 3.28Å; W179-S182 WeakPolarHBondContact O-CB 3.47Å; W179-S182 PolarHBondContact O-N 3.07Å; W179-S182 PolarHBondContact O-OG 3.02Å; M180-S182 VanDerWaalsContact C-N 3.28Å; S182-S184 PolarHBondContact O-N 3.32Å; S182-S184 PolarHBondContact OG-N 2.91Å; S182-W185 PolarHBondContact O-N 3.47Å
183	S	94.6	Very high	98	Very high	124 Å²	124	35.6 Å²	35.6	87%	0.867	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68	-12.7	169.8	56.9	0	0	0	0	114.1
184	S	96.4	Very high	98	Very high	71 Å²	71	35.6 Å²	35.6	50%	0.497	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-2.7	179.7	-55.7	0	0	0	0	112.8	S182 D186	S182-S184 PolarHBondContact O-N 3.32Å; S182-S184 PolarHBondContact OG-N 2.91Å; S184-D186 PolarHBondContact O-N 3.38Å
185	W	97.4	Very high	98	Very high	66 Å²	66	35 Å²	35	25%	0.25	20%	0.202	C	C	.	.			trans	-66.5	128.6	175.5	-174.3	45.9	0	0	0	110.5	P51 W179 M180 S182 G187 R188 P220	P51-W185 HydrophobicContact CB-CE3 4.35Å; P51-W185 HydrophobicContact CB-CH2 4.12Å; P51-W185 HydrophobicContact CB-CZ3 3.79Å; P51-W185 HydrophobicContact CG-CE3 4.01Å; P51-W185 HydrophobicContact CG-CZ3 3.96Å; W179-W185 AromaticContact CE3-CD1 3.9Å; W179-W185 AromaticContact CH2-CD1 3.44Å; W179-W185 VanDerWaalsContact CH2-CD1 3.44Å; W179-W185 AromaticContact CH2-NE1 3.89Å; W179-W185 AromaticContact CZ2-CD1 3.93Å; W179-W185 AromaticContact CZ3-CD1 3.41Å; W179-W185 VanDerWaalsContact CZ3-CD1 3.41Å; W179-W185 AromaticContact CZ3-NE1 3.77Å; M180-W185 HydrophobicContact CG-CD2 4.01Å; M180-W185 HydrophobicContact CG-CG 4.19Å; M180-W185 HydrophobicContact CG-CZ2 4.28Å; M180-W185 WeakPolarHBondContact O-CB 3.41Å; S182-W185 PolarHBondContact O-N 3.47Å; W185-G187 VanDerWaalsContact CE2-CA 3.48Å; W185-R188 PolarHBondContact NE1-O 3.44Å; W185-P220 HydrophobicContact CH2-CG 4.12Å; W185-P220 HydrophobicContact CZ2-CG 4.27Å
186	D	96.2	Very high	98	Very high	56 Å²	56	32.3 Å²	32.3	30%	0.299	19%	0.188	S	C	.	.			trans	-104.3	9.3	-174.8	61.2	7.8	0	0	0	113.3	S184 R188	S184-D186 PolarHBondContact O-N 3.38Å; D186-R188 VanDerWaalsContact C-N 3.34Å; D186-R188 VanDerWaalsContact OD1-CB 3.26Å; D186-R188 WeakPolarHBondContact OD1-CB 3.47Å; D186-R188 PolarHBondContact OD1-N 3.42Å; D186-R188 IonicContact OD1-NE 2.75Å; D186-R188 IonicContact OD2-CZ 3.78Å; D186-R188 IonicContact OD2-NE 2.86Å; D186-R188 PolarHBondContact OD2-NE 2.99Å; D186-R188 IonicContact OD2-NH2 3.99Å; D186-R188 PolarHBondContact OD2-NH2 3Å
187	G	96.3	Very high	98	Very high	51 Å²	51	32.5 Å²	32.5	53%	0.526	19%	0.188	S	C	.	.	S	Bend	trans	89.3	-10.9	-178	0	0	0	0	0	114.8	W185	W185-G187 VanDerWaalsContact CE2-CA 3.48Å
188	R	98.6	Very high	98	Very high	48 Å²	48	32.5 Å²	32.5	18%	0.181	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-82.1	167.1	179.7	-65.7	-175.8	-70.5	170.3	-0.2	112.2	D122 S123 V124 G125 N154 D156 W185 D186	D122-R188 WeakPolarHBondContact O-CD 3.49Å; S123-R188 WeakPolarHBondContact O-CB 3.26Å; V124-R188 PolarHBondContact O-NH1 3.25Å; G125-R188 VanDerWaalsContact CA-CZ 3.43Å; N154-R188 PolarHBondContact OD1-NH1 3.14Å; D156-R188 PolarHBondContact O-NH1 3.37Å; D156-R188 VanDerWaalsContact O-NH1 3.07Å; D156-R188 PolarHBondContact O-NH2 3.3Å; D156-R188 IonicContact OD2-NH2 3.18Å; W185-R188 PolarHBondContact NE1-O 3.44Å; D186-R188 VanDerWaalsContact C-N 3.34Å; D186-R188 VanDerWaalsContact OD1-CB 3.26Å; D186-R188 WeakPolarHBondContact OD1-CB 3.47Å; D186-R188 PolarHBondContact OD1-N 3.42Å; D186-R188 IonicContact OD1-NE 2.75Å; D186-R188 IonicContact OD2-CZ 3.78Å; D186-R188 IonicContact OD2-NE 2.86Å; D186-R188 PolarHBondContact OD2-NE 2.99Å; D186-R188 IonicContact OD2-NH2 3.99Å; D186-R188 PolarHBondContact OD2-NH2 3Å
189	Y	98.9	Very high	97.9	Very high	83 Å²	83	29.3 Å²	29.3	33%	0.325	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	154.7	175.4	-61	-63	0	0	0	111.8	L57 L119 S123 G125 R126 L217	L57-Y189 HydrophobicContact CD1-CD1 3.8Å; L57-Y189 HydrophobicContact CD1-CE1 3.43Å; L57-Y189 VanDerWaalsContact CD1-CE1 3.43Å; L119-Y189 HydrophobicContact CD1-CD2 3.87Å; L119-Y189 HydrophobicContact CD1-CE2 3.82Å; S123-Y189 WeakPolarHBondContact O-CD2 3.36Å; S123-Y189 PolarHBondContact O-N 3.16Å; G125-Y189 PolarHBondContact N-O 2.83Å; R126-Y189 PolarHBondContact N-O 3.32Å; Y189-L217 HydrophobicContact CD1-CD2 4.35Å; Y189-L217 HydrophobicContact CD1-CG 4.35Å; Y189-L217 HydrophobicContact CD2-CD1 4.33Å; Y189-L217 HydrophobicContact CD2-CD2 4.26Å; Y189-L217 HydrophobicContact CG-CD1 3.95Å; Y189-L217 HydrophobicContact CG-CD2 4.17Å; Y189-L217 HydrophobicContact CG-CG 4.14Å
190	A	98.9	Very high	97.8	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	142.2	161.4	0	0	0	0	0	109.5	R126 A176 W179 M180 I218	R126-A190 HydrophobicContact CB-CB 3.95Å; R126-A190 HydrophobicContact CG-CB 4.44Å; R126-A190 CarbonylContact O-C 3.6Å; R126-A190 VanDerWaalsContact O-CA 3.31Å; R126-A190 WeakPolarHBondContact O-CA 3.44Å; A176-A190 HydrophobicContact CB-CB 3.74Å; W179-A190 HydrophobicContact CE3-CB 3.91Å; W179-A190 HydrophobicContact CZ3-CB 3.85Å; M180-A190 HydrophobicContact CE-CB 4.41Å; A190-I218 HydrophobicContact CB-CB 4.17Å; A190-I218 PolarHBondContact N-O 3.2Å; A190-I218 VanDerWaalsContact N-O 3.12Å; A190-I218 PolarHBondContact O-N 3.26Å
191	M	98.9	Very high	97.7	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	121.5	173.5	-174.5	173.9	-66.7	0	0	109.6	V110 L113 M114 L119 V124 R126 L127 E128 V193 L217	V110-M191 HydrophobicContact CB-SD 4.32Å; V110-M191 HydrophobicContact CG1-SD 3.68Å; V110-M191 HydrophobicContact CG2-SD 3.94Å; L113-M191 HydrophobicContact CD2-CE 4.16Å; M114-M191 HydrophobicContact CG-CE 3.84Å; M114-M191 HydrophobicContact SD-CE 3.96Å; L119-M191 HydrophobicContact CD2-CE 4.14Å; V124-M191 HydrophobicContact CG1-CB 4.17Å; V124-M191 HydrophobicContact CG2-CE 4.27Å; R126-M191 PolarHBondContact O-N 3.06Å; L127-M191 WeakPolarHBondContact CA-O 3.32Å; L127-M191 HydrophobicContact CD1-CB 3.78Å; L127-M191 HydrophobicContact CD1-CG 3.8Å; L127-M191 HydrophobicContact CD1-SD 3.97Å; E128-M191 PolarHBondContact N-O 3.13Å; E128-M191 VanDerWaalsContact N-O 3.08Å; M191-V193 HydrophobicContact CG-CG2 4.26Å; M191-L217 HydrophobicContact CE-CD1 4.29Å
192	V	98.9	Very high	97.5	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	125.8	176.2	172.1	0	0	0	0	107.5	S172 L173 A176 A215 M216 I218	S172-V192 WeakPolarHBondContact OG-CG1 3.11Å; L173-V192 HydrophobicContact CB-CG1 4.49Å; A176-V192 HydrophobicContact CB-CG2 3.61Å; V192-A215 CarbonylContact O-C 3.13Å; V192-A215 WeakPolarHBondContact O-CA 3.45Å; V192-M216 HydrophobicContact CB-CB 4.38Å; V192-M216 HydrophobicContact CB-CE 4.17Å; V192-M216 HydrophobicContact CG1-CE 3.58Å; V192-M216 PolarHBondContact N-O 3.08Å; V192-M216 PolarHBondContact O-N 3.48Å; V192-I218 HydrophobicContact CG2-CD1 4.47Å; V192-I218 HydrophobicContact CG2-CG1 3.79Å
193	V	98.9	Very high	97.4	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	135.2	174.2	-173.6	0	0	0	0	108	C106 V109 V110 L127 E128 V129 G130 L145 M191 V214 A215	C106-V193 HydrophobicContact CB-CG1 3.94Å; V109-V193 HydrophobicContact CG1-CG1 4.14Å; V110-V193 HydrophobicContact CG2-CG1 4.36Å; V110-V193 HydrophobicContact CG2-CG2 3.42Å; V110-V193 VanDerWaalsContact CG2-CG2 3.42Å; L127-V193 HydrophobicContact CD1-CG2 3.79Å; E128-V193 PolarHBondContact O-N 3.3Å; V129-V193 CarbonylContact C-O 3.59Å; V129-V193 VanDerWaalsContact CA-O 3.26Å; V129-V193 WeakPolarHBondContact CA-O 3.2Å; V129-V193 HydrophobicContact CG2-CB 4.24Å; G130-V193 PolarHBondContact N-O 2.89Å; L145-V193 HydrophobicContact CD1-CG2 4.16Å; M191-V193 HydrophobicContact CG-CG2 4.26Å; V193-V214 WeakPolarHBondContact CA-O 3.48Å; V193-A215 HydrophobicContact CG2-CB 4.48Å
194	C	98.9	Very high	97.4	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	143.1	167.5	55.5	0	0	0	0	110	G130 A213 V214 Y387	G130-C194 WeakPolarHBondContact O-CA 3.48Å; G130-C194 WeakPolarHBondContact O-CB 3.22Å; C194-A213 CarbonylContact O-C 3.59Å; C194-A213 WeakPolarHBondContact O-CA 3.45Å; C194-V214 PolarHBondContact N-O 2.84Å; C194-V214 PolarHBondContact O-N 2.68Å; C194-Y387 VanDerWaalsContact SG-CD2 3.54Å
195	G	98.8	Very high	97.3	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.9	153.2	-175.7	0	0	0	0	0	111.3	I102 G130 T131 G212 T383	I102-G195 WeakPolarHBondContact CD1-O 3.43Å; G130-G195 PolarHBondContact O-N 2.74Å; T131-G195 WeakPolarHBondContact CB-O 3.19Å; T131-G195 PolarHBondContact OG1-O 2.86Å; G195-G212 CarbonylContact C-O 3.57Å; G195-G212 WeakPolarHBondContact CA-O 3.26Å; G195-T383 PolarHBondContact N-OG1 3.18Å
196	D	98.9	Very high	97.4	Very high	0 Å²	0	30 Å²	30	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	159.3	-175.5	-78.9	-64.6	0	0	0	112.5	T131 E132 T133 A211 G212 Y382 T383	T131-D196 PolarHBondContact OG1-OD1 2.86Å; E132-D196 WeakPolarHBondContact CG-OD1 3.22Å; E132-D196 PolarHBondContact N-OD1 2.93Å; T133-D196 PolarHBondContact N-OD1 2.74Å; T133-D196 VanDerWaalsContact OG1-CA 3.3Å; T133-D196 WeakPolarHBondContact OG1-CA 3.34Å; T133-D196 WeakPolarHBondContact OG1-CB 3.21Å; T133-D196 PolarHBondContact OG1-OD1 3.38Å; D196-A211 WeakPolarHBondContact O-CA 3.4Å; D196-G212 PolarHBondContact N-O 2.65Å; D196-G212 PolarHBondContact O-N 3.29Å; D196-G212 VanDerWaalsContact O-N 3.16Å; D196-Y382 HydrophobicContact CB-CD2 3.79Å; D196-Y382 HydrophobicContact CB-CG 4.13Å; D196-Y382 VanDerWaalsContact OD2-CB 3.22Å; D196-Y382 WeakPolarHBondContact OD2-CB 3.23Å; D196-T383 WeakPolarHBondContact OD2-CB 3.09Å; D196-T383 WeakPolarHBondContact OD2-CG2 3.45Å; D196-T383 PolarHBondContact OD2-N 2.97Å; D196-T383 PolarHBondContact OD2-OG1 3.25Å
197	I	98.9	Very high	97.5	Very high	4 Å²	4	27.4 Å²	27.4	2%	0.021	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	102.3	166.5	-59.5	173.4	0	0	0	107.2	C96 L105 T133 V199 A211	C96-I197 HydrophobicContact CB-CD1 4.09Å; C96-I197 HydrophobicContact CB-CG1 4.49Å; L105-I197 HydrophobicContact CD1-CD1 4.21Å; L105-I197 HydrophobicContact CD1-CG1 3.71Å; T133-I197 HydrophobicContact CG2-CB 4.3Å; T133-I197 PolarHBondContact OG1-N 2.79Å; I197-V199 HydrophobicContact CG2-CG1 3.86Å; I197-V199 PolarHBondContact O-N 3.44Å; I197-A211 HydrophobicContact CG1-CB 4.36Å
198	A	98.4	Very high	97.5	Very high	2 Å²	2	25.8 Å²	25.8	2%	0.017	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	100.5	-178	0	0	0	0	0	110.7	G209 G210 N380 Y382	A198-G209 WeakPolarHBondContact O-CA 3.37Å; A198-G210 WeakPolarHBondContact CA-O 3.14Å; A198-G210 WeakPolarHBondContact CB-O 3.37Å; A198-G210 PolarHBondContact N-O 3.19Å; A198-G210 PolarHBondContact O-N 2.61Å; A198-G210 VanDerWaalsContact O-N 3.08Å; A198-N380 WeakPolarHBondContact CB-O 3.49Å; A198-Y382 VanDerWaalsContact CA-CE2 3.44Å; A198-Y382 HydrophobicContact CB-CD1 3.76Å; A198-Y382 HydrophobicContact CB-CD2 3.74Å; A198-Y382 HydrophobicContact CB-CE1 3.48Å; A198-Y382 VanDerWaalsContact CB-CE1 3.48Å; A198-Y382 HydrophobicContact CB-CE2 3.46Å; A198-Y382 VanDerWaalsContact CB-CE2 3.46Å; A198-Y382 HydrophobicContact CB-CG 3.9Å
199	V	96.9	Very high	97.5	Very high	11 Å²	11	23.6 Å²	23.6	7%	0.067	14%	0.144	C	C	.	.			trans	-122.4	149.2	-179.8	-66.7	0	0	0	0	111.8	I197 E249 Y250 M464	I197-V199 HydrophobicContact CG2-CG1 3.86Å; I197-V199 PolarHBondContact O-N 3.44Å; V199-E249 HydrophobicContact CG2-CB 3.94Å; V199-E249 VanDerWaalsContact CG2-CD 3.43Å; V199-E249 HydrophobicContact CG2-CG 3.45Å; V199-E249 VanDerWaalsContact CG2-CG 3.45Å; V199-E249 WeakPolarHBondContact CG2-OE2 3.07Å; V199-Y250 HydrophobicContact CB-CD1 4.47Å; V199-Y250 HydrophobicContact CB-CE1 4.02Å; V199-Y250 HydrophobicContact CG2-CD1 4.11Å; V199-Y250 HydrophobicContact CG2-CE1 3.93Å; V199-M464 HydrophobicContact CG1-SD 3.97Å
200	Y	97.2	Very high	97.5	Very high	17 Å²	17	19.8 Å²	19.8	7%	0.067	13%	0.13	C	C	.	.			trans	-137.7	152.6	-177.6	-63.7	-90.9	0	0	0	110	A205 R206 F241 Y250 P251 Y382	Y200-A205 HydrophobicContact CD1-CB 3.58Å; Y200-A205 VanDerWaalsContact CD2-O 3.29Å; Y200-A205 WeakPolarHBondContact CD2-O 3.44Å; Y200-A205 HydrophobicContact CE1-CB 4.08Å; Y200-A205 HydrophobicContact CG-CB 3.84Å; Y200-R206 VanDerWaalsContact O-CZ 3.31Å; Y200-R206 PolarHBondContact O-NE 3.32Å; Y200-R206 PolarHBondContact O-NH2 3.2Å; Y200-F241 HydrophobicContact CE1-CD2 4.45Å; Y200-F241 AromaticContact CE1-CE2 3.74Å; Y200-F241 HydrophobicContact CE1-CE2 3.74Å; Y200-Y250 VanDerWaalsContact C-CD1 3.42Å; Y200-Y250 WeakPolarHBondContact O-CE1 3.49Å; Y200-P251 HydrophobicContact CD1-CG 3.71Å; Y200-P251 HydrophobicContact CE1-CG 3.62Å; Y200-Y382 VanDerWaalsContact CZ-OH 3.25Å; Y200-Y382 WeakPolarHBondContact OH-CE1 3.32Å; Y200-Y382 PolarHBondContact OH-OH 2.62Å; Y200-Y382 VanDerWaalsContact OH-OH 3.06Å
201	P	95.3	Very high	97.5	Very high	58 Å²	58	19.8 Å²	19.8	38%	0.377	13%	0.13	S	C	.	.			trans	-63.4	166.2	174.2	29.9	-34.8	0	0	0	110	G203 R206 Y250	P201-G203 PolarHBondContact O-N 3.15Å; P201-R206 PolarHBondContact O-NE 3.23Å; P201-Y250 HydrophobicContact CB-CD2 3.88Å; P201-Y250 HydrophobicContact CB-CE2 4.01Å; P201-Y250 HydrophobicContact CB-CG 4.28Å; P201-Y250 HydrophobicContact CG-CD2 4.42Å; P201-Y250 HydrophobicContact CG-CG 4.38Å
202	S	94.3	Very high	97.5	Very high	99 Å²	99	19.8 Å²	19.8	69%	0.692	13%	0.13	S	C	*	.	S	Bend	trans	-54	134.6	172.9	-173.4	0	0	0	0	110.3
203	G	94.4	Very high	97.5	Very high	39 Å²	39	19.8 Å²	19.8	40%	0.402	13%	0.13	S	C	.	.	S	Bend	trans	139.8	-170.5	-174.4	0	0	0	0	0	113.3	P201 A205 R206 P207	P201-G203 PolarHBondContact O-N 3.15Å; G203-A205 PolarHBondContact O-N 2.72Å; G203-A205 VanDerWaalsContact O-N 3.13Å; G203-R206 PolarHBondContact O-N 3.33Å; G203-P207 WeakPolarHBondContact O-CD 3.32Å
204	N	93.8	Very high	97.5	Very high	120 Å²	120	19.8 Å²	19.8	64%	0.642	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-17	-170.1	-70.2	-41.9	0	0	0	114.9	K83	K83-N204 PolarHBondContact NZ-OD1 3.27Å
205	A	95.2	Very high	97.5	Very high	26 Å²	26	19.8 Å²	19.8	22%	0.215	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-18.9	178.4	0	0	0	0	0	113.5	Y200 G203 P207 T208	Y200-A205 HydrophobicContact CD1-CB 3.58Å; Y200-A205 VanDerWaalsContact CD2-O 3.29Å; Y200-A205 WeakPolarHBondContact CD2-O 3.44Å; Y200-A205 HydrophobicContact CE1-CB 4.08Å; Y200-A205 HydrophobicContact CG-CB 3.84Å; G203-A205 PolarHBondContact O-N 2.72Å; G203-A205 VanDerWaalsContact O-N 3.13Å; A205-P207 VanDerWaalsContact C-CD 3.45Å; A205-P207 VanDerWaalsContact C-N 3.35Å; A205-T208 PolarHBondContact O-N 3.28Å; A205-T208 PolarHBondContact O-OG1 3.47Å
206	R	97.8	Very high	97.5	Very high	16 Å²	16	19.8 Å²	19.8	6%	0.06	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-54.5	-42.1	177.6	-175.2	165.2	-73.5	-143.5	-5.1	113.8	M93 Y200 P201 G203 T208 G209 Y250 F460 E468	M93-R206 WeakPolarHBondContact CE-O 3.48Å; Y200-R206 VanDerWaalsContact O-CZ 3.31Å; Y200-R206 PolarHBondContact O-NE 3.32Å; Y200-R206 PolarHBondContact O-NH2 3.2Å; P201-R206 PolarHBondContact O-NE 3.23Å; G203-R206 PolarHBondContact O-N 3.33Å; R206-T208 PolarHBondContact O-N 3.09Å; R206-T208 VanDerWaalsContact O-N 3.12Å; R206-G209 PolarHBondContact O-N 3.14Å; R206-Y250 PolarHBondContact NH2-OH 2.94Å; R206-Y250 VanDerWaalsContact NH2-OH 3.08Å; R206-F460 HydrophobicContact CG-CE1 4.22Å; R206-F460 HydrophobicContact CG-CZ 4.14Å; R206-E468 IonicContact NH2-OE1 3.91Å
207	P	98.3	Very high	97.5	Very high	0 Å²	0	20 Å²	20	0%	0	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-68.1	-7.6	178	-19.7	33.6	0	0	0	114.7	Q70 L73 Y84 L88 G203 A205	Q70-P207 PolarHBondContact NE2-O 3.08Å; L73-P207 HydrophobicContact CD2-CB 4.21Å; L73-P207 HydrophobicContact CD2-CG 4.28Å; Y84-P207 HydrophobicContact CD1-CB 4.02Å; Y84-P207 HydrophobicContact CD1-CG 4.03Å; Y84-P207 HydrophobicContact CD2-CB 3.98Å; Y84-P207 HydrophobicContact CD2-CG 4.08Å; Y84-P207 HydrophobicContact CE1-CB 4.12Å; Y84-P207 HydrophobicContact CE1-CG 3.59Å; Y84-P207 HydrophobicContact CE2-CB 4.09Å; Y84-P207 HydrophobicContact CE2-CG 3.67Å; Y84-P207 HydrophobicContact CG-CB 3.98Å; Y84-P207 HydrophobicContact CG-CG 4.28Å; Y84-P207 VanDerWaalsContact CZ-CG 3.4Å; L88-P207 HydrophobicContact CD1-CB 4.07Å; G203-P207 WeakPolarHBondContact O-CD 3.32Å; A205-P207 VanDerWaalsContact C-CD 3.45Å; A205-P207 VanDerWaalsContact C-N 3.35Å
208	T	98.1	Very high	97.5	Very high	17 Å²	17	19.9 Å²	19.9	10%	0.104	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-102	11.9	176.8	62.7	0	0	0	0	113.1	L88 A205 R206 F304 N380	L88-T208 HydrophobicContact CD1-CG2 3.81Å; L88-T208 HydrophobicContact CD2-CG2 4.27Å; A205-T208 PolarHBondContact O-N 3.28Å; A205-T208 PolarHBondContact O-OG1 3.47Å; R206-T208 PolarHBondContact O-N 3.09Å; R206-T208 VanDerWaalsContact O-N 3.12Å; T208-F304 HydrophobicContact CG2-CB 4.35Å; T208-F304 HydrophobicContact CG2-CD1 4Å; T208-F304 HydrophobicContact CG2-CG 4.44Å; T208-N380 WeakPolarHBondContact O-CB 3.41Å
209	G	98.5	Very high	97.6	Very high	3 Å²	3	19.8 Å²	19.8	3%	0.031	13%	0.129	C	C	.	.			trans	-70	-172.6	171.7	0	0	0	0	0	112.9	M93 A198 R206 G379 N380	M93-G209 WeakPolarHBondContact CG-O 3.49Å; M93-G209 VanDerWaalsContact SD-C 3.55Å; M93-G209 VanDerWaalsContact SD-CA 3.57Å; M93-G209 PolarHBondContact SD-N 3.02Å; M93-G209 VanDerWaalsContact SD-N 3.4Å; A198-G209 WeakPolarHBondContact O-CA 3.37Å; R206-G209 PolarHBondContact O-N 3.14Å; G209-G379 CarbonylContact O-C 3.26Å; G209-G379 VanDerWaalsContact O-CA 3.23Å; G209-G379 WeakPolarHBondContact O-CA 3.48Å; G209-N380 PolarHBondContact O-N 3.12Å
210	G	98.8	Very high	97.6	Very high	3 Å²	3	20.8 Å²	20.8	3%	0.031	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	163.2	171.6	-179.3	0	0	0	0	0	111	G94 A198 N378 N380	G94-G210 CarbonylContact O-C 3.53Å; G94-G210 VanDerWaalsContact O-CA 3.28Å; G94-G210 WeakPolarHBondContact O-CA 3.12Å; A198-G210 WeakPolarHBondContact CA-O 3.14Å; A198-G210 WeakPolarHBondContact CB-O 3.37Å; A198-G210 PolarHBondContact N-O 3.19Å; A198-G210 PolarHBondContact O-N 2.61Å; A198-G210 VanDerWaalsContact O-N 3.08Å; G210-N378 WeakPolarHBondContact CA-O 3.12Å; G210-N380 CarbonylContact C-O 3.48Å; G210-N380 VanDerWaalsContact C-O 3.29Å; G210-N380 WeakPolarHBondContact CA-O 3.41Å; G210-N380 PolarHBondContact N-O 3.29Å
211	A	98.9	Very high	97.7	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	145.7	173.9	0	0	0	0	0	111.2	P64 G94 D196 I197 N378	P64-A211 VanDerWaalsContact CD-O 3.27Å; P64-A211 WeakPolarHBondContact CD-O 3.25Å; P64-A211 HydrophobicContact CG-CB 4.19Å; G94-A211 PolarHBondContact O-N 3.42Å; D196-A211 WeakPolarHBondContact O-CA 3.4Å; I197-A211 HydrophobicContact CG1-CB 4.36Å; A211-N378 PolarHBondContact O-ND2 3.11Å
212	G	98.9	Very high	97.8	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.6	172	176.8	0	0	0	0	0	112.8	Y62 G195 D196 S384	Y62-G212 CarbonylContact O-C 3.47Å; Y62-G212 WeakPolarHBondContact O-CA 3.47Å; G195-G212 CarbonylContact C-O 3.57Å; G195-G212 WeakPolarHBondContact CA-O 3.26Å; D196-G212 PolarHBondContact N-O 2.65Å; D196-G212 PolarHBondContact O-N 3.29Å; D196-G212 VanDerWaalsContact O-N 3.16Å; G212-S384 PolarHBondContact O-OG 2.63Å
213	A	98.9	Very high	98.1	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	152.7	174.3	0	0	0	0	0	110.8	V61 Y62 L105 V109 C194	V61-A213 CarbonylContact C-O 3.42Å; Y62-A213 PolarHBondContact N-O 3.05Å; Y62-A213 PolarHBondContact O-N 3.01Å; L105-A213 HydrophobicContact CB-CB 4.04Å; V109-A213 HydrophobicContact CB-CB 4.25Å; V109-A213 HydrophobicContact CG1-CB 3.77Å; C194-A213 CarbonylContact O-C 3.59Å; C194-A213 WeakPolarHBondContact O-CA 3.45Å
214	V	98.9	Very high	98.3	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	135.2	174.9	171.5	0	0	0	0	108.6	L59 E60 V61 V193 C194 M216	L59-V214 HydrophobicContact CD1-CG1 4.38Å; L59-V214 HydrophobicContact CD2-CG1 4.21Å; L59-V214 HydrophobicContact CG-CG1 4.01Å; E60-V214 CarbonylContact O-C 3.53Å; E60-V214 VanDerWaalsContact O-CA 3.23Å; E60-V214 WeakPolarHBondContact O-CA 3.39Å; E60-V214 WeakPolarHBondContact O-CG1 3.48Å; V61-V214 HydrophobicContact CB-CG2 4.18Å; V61-V214 HydrophobicContact CG2-CG2 3.95Å; V193-V214 WeakPolarHBondContact CA-O 3.48Å; C194-V214 PolarHBondContact N-O 2.84Å; C194-V214 PolarHBondContact O-N 2.68Å; V214-M216 HydrophobicContact CG1-CG 3.97Å
215	A	98.9	Very high	98.5	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	135.5	167	0	0	0	0	0	109.5	L59 E60 V109 V110 L113 V192 V193	L59-A215 CarbonylContact C-O 3.56Å; L59-A215 WeakPolarHBondContact CA-O 3.38Å; E60-A215 PolarHBondContact N-O 2.76Å; E60-A215 PolarHBondContact O-N 3.24Å; V109-A215 HydrophobicContact CB-CB 4.48Å; V109-A215 HydrophobicContact CG1-CB 4.02Å; V109-A215 HydrophobicContact CG2-CB 3.93Å; V110-A215 HydrophobicContact CG2-CB 4.46Å; L113-A215 HydrophobicContact CB-CB 4.4Å; L113-A215 HydrophobicContact CD2-CB 3.72Å; V192-A215 CarbonylContact O-C 3.13Å; V192-A215 WeakPolarHBondContact O-CA 3.45Å; V193-A215 HydrophobicContact CG2-CB 4.48Å
216	M	98.9	Very high	98.7	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	126.3	177.3	-65.5	171.2	-75.6	0	0	109.5	I56 A58 L59 V192 V214 I218 Y387	I56-M216 HydrophobicContact CD1-CG 4.49Å; I56-M216 HydrophobicContact CD1-SD 3.68Å; I56-M216 HydrophobicContact CG1-SD 4.24Å; I56-M216 HydrophobicContact CG2-CB 4.39Å; I56-M216 HydrophobicContact CG2-CG 4.45Å; A58-M216 CarbonylContact O-C 3.59Å; A58-M216 WeakPolarHBondContact O-CA 3.34Å; L59-M216 HydrophobicContact CD1-CG 4.15Å; L59-M216 HydrophobicContact CD1-SD 4.5Å; L59-M216 HydrophobicContact CG-CG 4.16Å; V192-M216 HydrophobicContact CB-CB 4.38Å; V192-M216 HydrophobicContact CB-CE 4.17Å; V192-M216 HydrophobicContact CG1-CE 3.58Å; V192-M216 PolarHBondContact N-O 3.08Å; V192-M216 PolarHBondContact O-N 3.48Å; V214-M216 HydrophobicContact CG1-CG 3.97Å; M216-I218 HydrophobicContact CB-CD1 4.04Å; M216-Y387 HydrophobicContact CE-CD1 3.54Å; M216-Y387 HydrophobicContact CE-CD2 4.04Å; M216-Y387 HydrophobicContact CE-CE1 3.62Å; M216-Y387 HydrophobicContact CE-CE2 4.11Å; M216-Y387 HydrophobicContact CE-CG 3.74Å; M216-Y387 HydrophobicContact SD-CD1 3.34Å; M216-Y387 WeakPolarHBondContact SD-CD1 3.22Å; M216-Y387 HydrophobicContact SD-CE1 3.69Å; M216-Y387 HydrophobicContact SD-CG 3.95Å
217	L	98.9	Very high	98.7	Very high	6 Å²	6	14.4 Å²	14.4	3%	0.031	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	124.1	169.5	-168.1	71.3	0	0	0	109	L57 A58 L113 I117 L119 Y189 M191	L57-L217 HydrophobicContact CB-CD2 4.45Å; L57-L217 HydrophobicContact CD1-CD2 4.46Å; L57-L217 PolarHBondContact N-O 3.18Å; A58-L217 HydrophobicContact CB-CB 4.05Å; A58-L217 PolarHBondContact O-N 3.23Å; L113-L217 HydrophobicContact CD2-CB 4.49Å; I117-L217 HydrophobicContact CD1-CD2 3.72Å; L119-L217 HydrophobicContact CD1-CD2 4.12Å; L119-L217 HydrophobicContact CD2-CD1 3.65Å; L119-L217 HydrophobicContact CD2-CD2 4.18Å; Y189-L217 HydrophobicContact CD1-CD2 4.35Å; Y189-L217 HydrophobicContact CD1-CG 4.35Å; Y189-L217 HydrophobicContact CD2-CD1 4.33Å; Y189-L217 HydrophobicContact CD2-CD2 4.26Å; Y189-L217 HydrophobicContact CG-CD1 3.95Å; Y189-L217 HydrophobicContact CG-CD2 4.17Å; Y189-L217 HydrophobicContact CG-CG 4.14Å; M191-L217 HydrophobicContact CE-CD1 4.29Å
218	I	98.9	Very high	98.7	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	131.3	-177.5	-50	-55.7	0	0	0	109.3	V54 G55 I56 L173 A176 M180 A190 V192 M216	V54-I218 HydrophobicContact CG1-CG2 4.15Å; G55-I218 VanDerWaalsContact O-CA 3.29Å; G55-I218 WeakPolarHBondContact O-CA 3.36Å; I56-I218 HydrophobicContact CB-CD1 4.4Å; I56-I218 HydrophobicContact CG1-CD1 3.72Å; L173-I218 HydrophobicContact CD1-CD1 3.52Å; L173-I218 HydrophobicContact CD1-CG1 4.18Å; A176-I218 HydrophobicContact CB-CG1 4.24Å; M180-I218 VanDerWaalsContact CE-O 3.26Å; M180-I218 WeakPolarHBondContact CE-O 3.43Å; A190-I218 HydrophobicContact CB-CB 4.17Å; A190-I218 PolarHBondContact N-O 3.2Å; A190-I218 VanDerWaalsContact N-O 3.12Å; A190-I218 PolarHBondContact O-N 3.26Å; V192-I218 HydrophobicContact CG2-CD1 4.47Å; V192-I218 HydrophobicContact CG2-CG1 3.79Å; M216-I218 HydrophobicContact CB-CD1 4.04Å
219	G	98.8	Very high	98.7	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.9	171.8	-178.7	0	0	0	0	0	113.5	V54 G55 M180	V54-G219 WeakPolarHBondContact CA-O 3.43Å; G55-G219 PolarHBondContact N-O 2.81Å; G55-G219 PolarHBondContact O-N 2.77Å; M180-G219 VanDerWaalsContact SD-C 3.54Å; M180-G219 WeakPolarHBondContact SD-CA 3.23Å
220	P	98.4	Very high	98.7	Very high	33 Å²	33	21 Å²	21	21%	0.214	11%	0.113	C	C	.	.	S	Bend	trans	-68.7	163	170.9	31.2	-35.8	0	0	0	111.4	P51 K52 W185 A222	P51-P220 HydrophobicContact CB-CB 3.97Å; K52-P220 WeakPolarHBondContact O-CA 3.4Å; W185-P220 HydrophobicContact CH2-CG 4.12Å; W185-P220 HydrophobicContact CZ2-CG 4.27Å; P220-A222 PolarHBondContact O-N 2.9Å
221	K	98.2	Very high	98.7	Very high	167 Å²	167	23.5 Å²	23.5	73%	0.726	12%	0.122	S	C	*	.	S	Bend	trans	56.1	37.9	178.4	-54.6	175.2	-176.9	174.5	0	112.3	K52 D53	K52-K221 PolarHBondContact O-N 3.45Å; D53-K221 PolarHBondContact O-N 2.9Å; D53-K221 VanDerWaalsContact O-N 3.17Å
222	A	98.8	Very high	98.7	Very high	7 Å²	7	23.5 Å²	23.5	6%	0.058	12%	0.122	C	C	.	.			trans	-73.7	143	-176.8	0	0	0	0	0	112.1	D53 G55 L57 P220 L224	D53-A222 WeakPolarHBondContact O-CB 3.36Å; D53-A222 PolarHBondContact O-N 3Å; G55-A222 VanDerWaalsContact CA-CB 3.47Å; L57-A222 HydrophobicContact CD2-CB 4.24Å; L57-A222 HydrophobicContact CG-CB 4.41Å; P220-A222 PolarHBondContact O-N 2.9Å; A222-L224 PolarHBondContact O-N 2.84Å
223	P	98.8	Very high	98.7	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.006	14%	0.139	C	C	.	.	S	Bend	trans	-64.4	-24.9	170.5	27.1	-34.6	0	0	0	112.9	I56 V425 S426 P434 L435 L438	I56-P223 VanDerWaalsContact O-CD 3.31Å; I56-P223 WeakPolarHBondContact O-CD 3.41Å; I56-P223 WeakPolarHBondContact O-CG 3.41Å; P223-V425 CarbonylContact O-C 3.58Å; P223-V425 WeakPolarHBondContact O-CA 3.28Å; P223-S426 PolarHBondContact O-N 3.13Å; P223-P434 HydrophobicContact CB-CB 4.04Å; P223-P434 HydrophobicContact CG-CB 3.98Å; P223-L435 HydrophobicContact CB-CB 3.87Å; P223-L435 HydrophobicContact CB-CD1 4.15Å; P223-L438 HydrophobicContact CG-CB 4.32Å; P223-L438 HydrophobicContact CG-CD2 3.88Å
224	L	98.9	Very high	98.7	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	83.3	172.2	-58.5	-176.1	0	0	0	109.6	G55 I56 A222 L390 L394 I407 F423 V425 L438	G55-L224 CarbonylContact C-O 3.54Å; G55-L224 VanDerWaalsContact CA-O 3.26Å; G55-L224 WeakPolarHBondContact CA-O 3.48Å; I56-L224 HydrophobicContact CB-CB 4.27Å; I56-L224 PolarHBondContact N-O 3.06Å; A222-L224 PolarHBondContact O-N 2.84Å; L224-L390 HydrophobicContact CD1-CD1 4.1Å; L224-L390 HydrophobicContact CD1-CD2 4.17Å; L224-L394 HydrophobicContact CD1-CD1 4.38Å; L224-L394 HydrophobicContact CD1-CD2 4.33Å; L224-I407 HydrophobicContact CD2-CD1 4.16Å; L224-F423 HydrophobicContact CB-CD1 4.28Å; L224-V425 HydrophobicContact CD2-CB 4.29Å; L224-V425 HydrophobicContact CD2-CG1 4.08Å; L224-V425 HydrophobicContact CD2-CG2 3.71Å; L224-L438 HydrophobicContact CD1-CD2 3.56Å; L224-L438 HydrophobicContact CG-CD2 3.62Å
225	A	98.9	Very high	98.7	Very high	9 Å²	9	34 Å²	34	7%	0.074	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	135.9	-179.3	0	0	0	0	0	111	D53 E227 F423 R424	D53-A225 HydrophobicContact CB-CB 3.95Å; A225-E227 PolarHBondContact O-N 3.37Å; A225-F423 CarbonylContact O-C 3.57Å; A225-F423 WeakPolarHBondContact O-CA 3.44Å; A225-R424 PolarHBondContact N-O 3.35Å; A225-R424 PolarHBondContact O-N 2.97Å
226	L	98.9	Very high	98.7	Very high	22 Å²	22	36.6 Å²	36.6	12%	0.115	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	129.3	170.9	-76.3	165.7	0	0	0	109.6	V54 L173 A177 R228 F421 F423	V54-L226 PolarHBondContact O-N 2.85Å; L173-L226 HydrophobicContact CD1-CD1 4.45Å; L173-L226 HydrophobicContact CD2-CD2 4.5Å; L173-L226 HydrophobicContact CG-CD1 4.44Å; A177-L226 HydrophobicContact CB-CD1 3.66Å; L226-R228 PolarHBondContact O-N 3.11Å; L226-F421 HydrophobicContact CD2-CD2 3.7Å; L226-F421 HydrophobicContact CD2-CE2 3.89Å; L226-F423 HydrophobicContact CD2-CD1 3.75Å; L226-F423 HydrophobicContact CD2-CE1 3.39Å; L226-F423 HydrophobicContact CD2-CZ 3.99Å; L226-F423 HydrophobicContact CG-CD1 4.1Å; L226-F423 HydrophobicContact CG-CE1 3.86Å
227	E	98.8	Very high	98.7	Very high	34 Å²	34	43.1 Å²	43.1	16%	0.159	22%	0.223	C	C	.	.			trans	-73.1	113.9	175.3	-70.4	-174.6	121.7	0	0	110.1	A225 L230 R406 S422 R424	A225-E227 PolarHBondContact O-N 3.37Å; E227-L230 HydrophobicContact CB-CB 4.34Å; E227-L230 HydrophobicContact CB-CD1 3.79Å; E227-L230 HydrophobicContact CB-CG 4.25Å; E227-L230 PolarHBondContact O-N 2.97Å; E227-R406 IonicContact OE1-CZ 2.7Å; E227-R406 IonicContact OE1-NE 2.66Å; E227-R406 PolarHBondContact OE1-NE 2.82Å; E227-R406 VanDerWaalsContact OE1-NE 3.14Å; E227-R406 IonicContact OE1-NH2 3.6Å; E227-R406 PolarHBondContact OE1-NH2 2.66Å; E227-R406 WeakPolarHBondContact OE2-CD 3.43Å; E227-R406 IonicContact OE2-CZ 2.73Å; E227-R406 IonicContact OE2-NE 2.88Å; E227-R406 PolarHBondContact OE2-NE 2.87Å; E227-R406 IonicContact OE2-NH2 3.33Å; E227-S422 WeakPolarHBondContact CB-OG 3.48Å; E227-S422 PolarHBondContact N-O 3.03Å; E227-S422 VanDerWaalsContact OE2-CB 3.27Å; E227-S422 WeakPolarHBondContact OE2-CB 3.47Å; E227-S422 PolarHBondContact OE2-OG 3.15Å; E227-R424 HydrophobicContact CG-CB 3.9Å; E227-R424 IonicContact OE1-CZ 3.74Å; E227-R424 IonicContact OE1-NE 3.98Å; E227-R424 IonicContact OE1-NH2 2.77Å; E227-R424 PolarHBondContact OE1-NH2 3.41Å
228	R	98.3	Very high	98.7	Very high	101 Å²	101	43.9 Å²	43.9	38%	0.381	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	136.1	-172.2	-73.2	178	166.1	161.2	-0.4	113.1	P51 E181 L226 L230 Q280	P51-R228 PolarHBondContact O-NH2 2.99Å; E181-R228 IonicContact OE1-CZ 3.23Å; E181-R228 VanDerWaalsContact OE1-CZ 3.23Å; E181-R228 IonicContact OE1-NE 2.8Å; E181-R228 PolarHBondContact OE1-NE 3.08Å; E181-R228 IonicContact OE1-NH2 2.74Å; E181-R228 PolarHBondContact OE1-NH2 2.81Å; L226-R228 PolarHBondContact O-N 3.11Å; R228-L230 PolarHBondContact O-N 3.02Å; R228-Q280 PolarHBondContact O-NE2 3.21Å
229	G	98.1	Very high	98.7	Very high	55 Å²	55	51 Å²	51	57%	0.567	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.5	-4.7	179.2	0	0	0	0	0	114.7	R231 K276	G229-R231 PolarHBondContact O-N 2.9Å; G229-K276 WeakPolarHBondContact O-CD 3.19Å
230	L	98.8	Very high	98.6	Very high	2 Å²	2	51 Å²	51	1%	0.01	26%	0.256	C	S	.	.			trans	-98	55.7	-175.3	-57.9	-169.9	0	0	0	113.1	E227 R228 Y273 K276 I277 F421	E227-L230 HydrophobicContact CB-CB 4.34Å; E227-L230 HydrophobicContact CB-CD1 3.79Å; E227-L230 HydrophobicContact CB-CG 4.25Å; E227-L230 PolarHBondContact O-N 2.97Å; R228-L230 PolarHBondContact O-N 3.02Å; L230-Y273 HydrophobicContact CB-CD2 4.16Å; L230-Y273 HydrophobicContact CB-CE2 3.66Å; L230-Y273 HydrophobicContact CD1-CE2 4.35Å; L230-Y273 WeakPolarHBondContact O-CD2 3.46Å; L230-Y273 WeakPolarHBondContact O-CE2 3.37Å; L230-K276 HydrophobicContact CD2-CB 3.98Å; L230-I277 HydrophobicContact CD1-CB 4.02Å; L230-I277 HydrophobicContact CD1-CD1 3.76Å; L230-I277 HydrophobicContact CD1-CG1 3.79Å; L230-I277 HydrophobicContact CD2-CB 3.74Å; L230-I277 HydrophobicContact CD2-CG1 4.24Å; L230-F421 WeakPolarHBondContact O-CA 3.37Å
231	R	98.8	Very high	98.6	Very high	57 Å²	57	50.2 Å²	50.2	22%	0.215	25%	0.249	C	C	.	.			trans	-109.4	100.1	171.7	-62.7	178.9	-174.8	161.4	2.8	110.3	F174 N178 G229 T233 K276 F421	F174-R231 HydrophobicContact CE1-CG 4.22Å; F174-R231 HydrophobicContact CE2-CG 4.24Å; F174-R231 HydrophobicContact CZ-CG 3.91Å; N178-R231 PolarHBondContact OD1-NH1 2.97Å; N178-R231 PolarHBondContact OD1-NH2 3.43Å; G229-R231 PolarHBondContact O-N 2.9Å; R231-T233 PolarHBondContact O-N 2.64Å; R231-K276 WeakPolarHBondContact O-CE 3.2Å; R231-K276 PolarHBondContact O-NZ 3Å; R231-F421 HydrophobicContact CG-CB 4.37Å
232	G	98.9	Very high	98.6	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	98.2	171.6	0	0	0	0	0	110.6	C269 S419 F420	G232-C269 WeakPolarHBondContact O-CA 3.39Å; G232-C269 VanDerWaalsContact O-CB 3.23Å; G232-C269 WeakPolarHBondContact O-CB 3.49Å; G232-C269 PolarHBondContact O-SG 3.41Å; G232-C269 VanDerWaalsContact O-SG 3.39Å; G232-S419 CarbonylContact O-C 3.23Å; G232-S419 WeakPolarHBondContact O-CA 3.49Å; G232-F420 PolarHBondContact N-O 3.08Å; G232-F420 PolarHBondContact O-N 2.74Å
233	T	98.9	Very high	98.6	Very high	59 Å²	59	48.9 Å²	48.9	36%	0.362	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	143.5	-173.1	-59	0	0	0	0	111.7	R231 M235 A418 S419	R231-T233 PolarHBondContact O-N 2.64Å; T233-M235 HydrophobicContact CG2-CE 4.05Å; T233-M235 HydrophobicContact CG2-CG 4.35Å; T233-A418 WeakPolarHBondContact CA-O 3.21Å; T233-A418 WeakPolarHBondContact CG2-O 3.36Å; T233-S419 PolarHBondContact OG1-OG 3.07Å
234	H	98.9	Very high	98.6	Very high	41 Å²	41	52.3 Å²	52.3	19%	0.19	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	134.2	172.3	178.8	62.2	0	0	0	109.8	E236 R268 C269 A418	H234-E236 IonicContact CD2-OE1 2.71Å; H234-E236 IonicContact CE1-OE1 3.14Å; H234-E236 IonicContact NE2-OE1 3.98Å; H234-E236 PolarHBondContact NE2-OE1 3.2Å; H234-R268 HydrophobicContact CB-CB 3.89Å; H234-C269 VanDerWaalsContact CB-SG 3.59Å; H234-A418 PolarHBondContact N-O 2.91Å; H234-A418 PolarHBondContact O-N 3.11Å
235	M	98.8	Very high	98.5	Very high	119 Å²	119	56.6 Å²	56.6	59%	0.586	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.7	139.8	174.4	-59.3	-174.6	-180	0	0	108.1	Y167 T233 L416 A417	Y167-M235 HydrophobicContact CE1-CE 4.42Å; T233-M235 HydrophobicContact CG2-CE 4.05Å; T233-M235 HydrophobicContact CG2-CG 4.35Å; M235-L416 WeakPolarHBondContact CA-O 3.39Å; M235-A417 HydrophobicContact CE-CB 4.17Å; M235-A417 HydrophobicContact CG-CB 4.02Å; M235-A417 HydrophobicContact SD-CB 4.37Å
236	E	98.6	Very high	98.2	Very high	56 Å²	56	62.1 Å²	62.1	26%	0.262	31%	0.313	S	S	.	.			trans	-151.9	158.8	176.2	59.5	175.6	106.4	0	0	109.8	H234 V238 R264 G415 L416	H234-E236 IonicContact CD2-OE1 2.71Å; H234-E236 IonicContact CE1-OE1 3.14Å; H234-E236 IonicContact NE2-OE1 3.98Å; H234-E236 PolarHBondContact NE2-OE1 3.2Å; E236-V238 HydrophobicContact CG-CG1 4.04Å; E236-V238 VanDerWaalsContact OE2-CG1 3.25Å; E236-V238 WeakPolarHBondContact OE2-CG1 3.4Å; E236-R264 IonicContact OE1-CZ 3.92Å; E236-R264 IonicContact OE1-NE 3.06Å; E236-R264 PolarHBondContact OE1-NE 2.85Å; E236-R264 IonicContact OE1-NH2 3.8Å; E236-R264 IonicContact OE2-CZ 2.67Å; E236-R264 IonicContact OE2-NE 3.41Å; E236-R264 PolarHBondContact OE2-NE 2.79Å; E236-R264 IonicContact OE2-NH2 2.64Å; E236-R264 PolarHBondContact OE2-NH2 2.87Å; E236-G415 CarbonylContact O-C 3.42Å; E236-L416 HydrophobicContact CG-CD1 3.94Å; E236-L416 HydrophobicContact CG-CD2 3.6Å; E236-L416 HydrophobicContact CG-CG 3.52Å; E236-L416 PolarHBondContact N-O 3.3Å; E236-L416 PolarHBondContact O-N 2.99Å
237	N	98.8	Very high	97.9	Very high	136 Å²	136	64 Å²	64	73%	0.727	33%	0.332	S	S	*	.			trans	-88	113.6	177.2	176.4	36.1	0	0	0	110.6
238	V	98.5	Very high	97.7	Very high	23 Å²	23	63.9 Å²	63.9	14%	0.139	34%	0.335	C	S	.	.			trans	-145.1	162.1	178.9	-65.6	0	0	0	0	111.7	E236 D240 G415 L416	E236-V238 HydrophobicContact CG-CG1 4.04Å; E236-V238 VanDerWaalsContact OE2-CG1 3.25Å; E236-V238 WeakPolarHBondContact OE2-CG1 3.4Å; V238-D240 HydrophobicContact CG2-CB 4.49Å; V238-D240 WeakPolarHBondContact CG2-OD1 3.48Å; V238-G415 VanDerWaalsContact CG2-C 3.42Å; V238-G415 WeakPolarHBondContact CG2-O 3.35Å; V238-G415 PolarHBondContact N-O 3.33Å; V238-G415 VanDerWaalsContact O-O 3.07Å; V238-L416 HydrophobicContact CG2-CB 3.91Å; V238-L416 HydrophobicContact CG2-CD2 3.78Å; V238-L416 HydrophobicContact CG2-CG 4Å
239	Y	98.3	Very high	97.5	Very high	149 Å²	149	60.1 Å²	60.1	58%	0.584	32%	0.322	S	S	*	.			trans	-118.2	50.3	177.8	-74.4	-84	0	0	0	111.5	Y242	Y239-Y242 AromaticContact CD1-CD1 3.84Å; Y239-Y242 HydrophobicContact CD1-CD1 3.84Å; Y239-Y242 AromaticContact CD1-CD2 3.99Å; Y239-Y242 HydrophobicContact CD1-CD2 3.99Å; Y239-Y242 AromaticContact CD1-CE1 3.75Å; Y239-Y242 HydrophobicContact CD1-CE1 3.75Å; Y239-Y242 AromaticContact CD1-CE2 3.89Å; Y239-Y242 HydrophobicContact CD1-CE2 3.89Å; Y239-Y242 AromaticContact CD1-CG 3.99Å; Y239-Y242 HydrophobicContact CD1-CG 3.99Å; Y239-Y242 AromaticContact CD1-CZ 3.79Å; Y239-Y242 HydrophobicContact CE1-CD2 4.32Å; Y239-Y242 HydrophobicContact CE1-CE2 4.28Å; Y239-Y242 HydrophobicContact CG-CE1 4.31Å
240	D	98.1	Very high	97.4	Very high	0 Å²	0	59 Å²	59	0%	0	30%	0.3	C	S	.	.	S	Bend	trans	-79	-39.5	-178.6	69.1	-54.6	0	0	0	113.2	V238 D254 L257 C261 Y412 S414 G415	V238-D240 HydrophobicContact CG2-CB 4.49Å; V238-D240 WeakPolarHBondContact CG2-OD1 3.48Å; D240-D254 PolarHBondContact O-N 3.42Å; D240-L257 HydrophobicContact CB-CB 4.37Å; D240-L257 HydrophobicContact CB-CD2 4.18Å; D240-L257 HydrophobicContact CB-CG 3.86Å; D240-C261 HydrophobicContact CB-CB 4.14Å; D240-Y412 PolarHBondContact OD2-OH 3.11Å; D240-S414 WeakPolarHBondContact OD1-CB 3.2Å; D240-S414 VanDerWaalsContact OD2-CB 3.22Å; D240-S414 WeakPolarHBondContact OD2-CB 3.44Å; D240-S414 PolarHBondContact OD2-OG 2.69Å; D240-G415 PolarHBondContact OD1-N 3.41Å
241	F	98.4	Very high	97.3	Very high	17 Å²	17	59.4 Å²	59.4	8%	0.075	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	131.9	170.7	165.9	-71.3	0	0	0	108.7	Y200 P251 V252 V253 Y382 S414	Y200-F241 HydrophobicContact CE1-CD2 4.45Å; Y200-F241 AromaticContact CE1-CE2 3.74Å; Y200-F241 HydrophobicContact CE1-CE2 3.74Å; F241-P251 HydrophobicContact CD1-CB 4.43Å; F241-P251 HydrophobicContact CD2-CB 3.78Å; F241-P251 HydrophobicContact CD2-CG 3.97Å; F241-P251 HydrophobicContact CE1-CB 3.96Å; F241-P251 HydrophobicContact CE2-CB 3.28Å; F241-P251 HydrophobicContact CE2-CG 3.21Å; F241-P251 HydrophobicContact CG-CB 4.33Å; F241-P251 HydrophobicContact CZ-CB 3.36Å; F241-P251 HydrophobicContact CZ-CG 3.6Å; F241-V252 WeakPolarHBondContact CA-O 3.4Å; F241-V253 HydrophobicContact CB-CG2 4.42Å; F241-V253 HydrophobicContact CD2-CB 4Å; F241-V253 HydrophobicContact CD2-CG2 4.04Å; F241-Y382 HydrophobicContact CZ-CE1 4.41Å; F241-Y382 AromaticContact CZ-CZ 3.97Å; F241-S414 WeakPolarHBondContact O-CB 3.17Å
242	Y	98.3	Very high	97.2	Very high	84 Å²	84	59.9 Å²	59.9	33%	0.329	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	159.3	-178.4	59.5	-71.7	0	0	0	111.1	Y239 P244 P251 V252	Y239-Y242 AromaticContact CD1-CD1 3.84Å; Y239-Y242 HydrophobicContact CD1-CD1 3.84Å; Y239-Y242 AromaticContact CD1-CD2 3.99Å; Y239-Y242 HydrophobicContact CD1-CD2 3.99Å; Y239-Y242 AromaticContact CD1-CE1 3.75Å; Y239-Y242 HydrophobicContact CD1-CE1 3.75Å; Y239-Y242 AromaticContact CD1-CE2 3.89Å; Y239-Y242 HydrophobicContact CD1-CE2 3.89Å; Y239-Y242 AromaticContact CD1-CG 3.99Å; Y239-Y242 HydrophobicContact CD1-CG 3.99Å; Y239-Y242 AromaticContact CD1-CZ 3.79Å; Y239-Y242 HydrophobicContact CE1-CD2 4.32Å; Y239-Y242 HydrophobicContact CE1-CE2 4.28Å; Y239-Y242 HydrophobicContact CG-CE1 4.31Å; Y242-P244 VanDerWaalsContact C-CD 3.47Å; Y242-P244 HydrophobicContact CD2-CB 3.84Å; Y242-P244 VanDerWaalsContact CD2-CD 3.45Å; Y242-P244 HydrophobicContact CD2-CG 3.65Å; Y242-P244 HydrophobicContact CE2-CB 3.84Å; Y242-P244 HydrophobicContact CE2-CG 3.49Å; Y242-P244 VanDerWaalsContact CE2-CG 3.49Å; Y242-P244 WeakPolarHBondContact O-CD 3.41Å; Y242-P251 WeakPolarHBondContact O-CA 3.29Å; Y242-V252 HydrophobicContact CD1-CB 4.36Å; Y242-V252 HydrophobicContact CE1-CB 3.96Å; Y242-V252 HydrophobicContact CE1-CG1 3.75Å; Y242-V252 HydrophobicContact CE2-CB 4.33Å; Y242-V252 PolarHBondContact N-O 2.86Å; Y242-V252 PolarHBondContact O-N 2.85Å
243	K	98.2	Very high	97.1	Very high	62 Å²	62	62.9 Å²	62.9	27%	0.27	33%	0.331	S	S	.	.			trans	-115	74.8	-179.4	-68.2	174.6	177	162.5	0	110.7	E132 P251	E132-K243 PolarHBondContact O-NZ 3.12Å; E132-K243 WeakPolarHBondContact OE2-CE 3.22Å; E132-K243 IonicContact OE2-NZ 3.39Å; E132-K243 PolarHBondContact OE2-NZ 3.23Å; K243-P251 HydrophobicContact CG-CB 3.95Å
244	P	97.8	Very high	96.9	Very high	73 Å²	73	63.8 Å²	63.8	47%	0.474	33%	0.334	S	S	.	.			trans	-78.3	-25.2	-176.6	34	-36.3	0	0	0	112.5	Y242 L246 V252	Y242-P244 VanDerWaalsContact C-CD 3.47Å; Y242-P244 HydrophobicContact CD2-CB 3.84Å; Y242-P244 VanDerWaalsContact CD2-CD 3.45Å; Y242-P244 HydrophobicContact CD2-CG 3.65Å; Y242-P244 HydrophobicContact CE2-CB 3.84Å; Y242-P244 HydrophobicContact CE2-CG 3.49Å; Y242-P244 VanDerWaalsContact CE2-CG 3.49Å; Y242-P244 WeakPolarHBondContact O-CD 3.41Å; P244-L246 PolarHBondContact O-N 2.8Å; P244-V252 HydrophobicContact CG-CB 4.46Å; P244-V252 HydrophobicContact CG-CG2 3.7Å
245	N	96.7	Very high	96.6	Very high	90 Å²	90	63.8 Å²	63.8	48%	0.481	35%	0.345	S	S	.	.			trans	-87.9	97.1	-179.7	-176.6	0.9	0	0	0	110	A247 S248	N245-A247 PolarHBondContact O-N 2.74Å; N245-A247 VanDerWaalsContact O-N 3.09Å; N245-A247 WeakPolarHBondContact OD1-CB 3.19Å; N245-A247 PolarHBondContact OD1-N 3.14Å; N245-S248 PolarHBondContact O-N 2.79Å
246	L	94.1	Very high	96.3	Very high	124 Å²	124	64.8 Å²	64.8	65%	0.649	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-15	179.7	-55.8	-178.9	0	0	0	113.6	K137 P244	K137-L246 HydrophobicContact CD-CD1 4.18Å; P244-L246 PolarHBondContact O-N 2.8Å
247	A	93	Very high	96.2	Very high	61 Å²	61	64.4 Å²	64.4	50%	0.504	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	6.7	177.3	0	0	0	0	0	113.3	N245 H472	N245-A247 PolarHBondContact O-N 2.74Å; N245-A247 VanDerWaalsContact O-N 3.09Å; N245-A247 WeakPolarHBondContact OD1-CB 3.19Å; N245-A247 PolarHBondContact OD1-N 3.14Å; A247-H472 VanDerWaalsContact CA-CE1 3.49Å; A247-H472 WeakPolarHBondContact CA-CE1 3.46Å; A247-H472 VanDerWaalsContact CA-NE2 3.32Å; A247-H472 WeakPolarHBondContact CA-NE2 3.41Å; A247-H472 PolarHBondContact O-NE2 3.25Å
248	S	94.1	Very high	96.1	Very high	33 Å²	33	59.1 Å²	59.1	23%	0.231	32%	0.319	C	S	.	.			trans	-133.1	140.2	178.4	-175.5	0	0	0	0	110.4	N245 Y250	N245-S248 PolarHBondContact O-N 2.79Å; S248-Y250 PolarHBondContact O-N 3.38Å; S248-Y250 WeakPolarHBondContact OG-CB 3.43Å; S248-Y250 PolarHBondContact OG-N 2.72Å; S248-Y250 VanDerWaalsContact OG-N 3.11Å
249	E	93.9	Very high	95.9	Very high	21 Å²	21	60.9 Å²	60.9	10%	0.098	33%	0.327	C	S	.	.	S	Bend	trans	-68.1	-20.4	169.3	-154.4	167.8	-161.7	0	0	110.8	V199 R467 Y471	V199-E249 HydrophobicContact CG2-CB 3.94Å; V199-E249 VanDerWaalsContact CG2-CD 3.43Å; V199-E249 HydrophobicContact CG2-CG 3.45Å; V199-E249 VanDerWaalsContact CG2-CG 3.45Å; V199-E249 WeakPolarHBondContact CG2-OE2 3.07Å; E249-R467 IonicContact OE1-CZ 3.77Å; E249-R467 IonicContact OE1-NE 2.75Å; E249-R467 IonicContact OE1-NH2 3.93Å; E249-R467 PolarHBondContact OE1-NH2 3.03Å; E249-R467 IonicContact OE2-CZ 3.71Å; E249-R467 IonicContact OE2-NE 3.82Å; E249-R467 PolarHBondContact OE2-NE 3.47Å; E249-R467 IonicContact OE2-NH2 2.68Å; E249-Y471 HydrophobicContact CB-CD2 3.78Å; E249-Y471 HydrophobicContact CB-CE2 3.44Å; E249-Y471 VanDerWaalsContact CB-CE2 3.44Å; E249-Y471 HydrophobicContact CG-CD2 4.05Å; E249-Y471 HydrophobicContact CG-CE2 3.44Å; E249-Y471 VanDerWaalsContact CG-CE2 3.44Å
250	Y	96.1	Very high	95.8	Very high	31 Å²	31	56.1 Å²	56.1	12%	0.122	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-82.1	137.6	-171.9	-61.2	-37.3	0	0	0	114.5	V199 Y200 P201 R206 S248 E468	V199-Y250 HydrophobicContact CB-CD1 4.47Å; V199-Y250 HydrophobicContact CB-CE1 4.02Å; V199-Y250 HydrophobicContact CG2-CD1 4.11Å; V199-Y250 HydrophobicContact CG2-CE1 3.93Å; Y200-Y250 VanDerWaalsContact C-CD1 3.42Å; Y200-Y250 WeakPolarHBondContact O-CE1 3.49Å; P201-Y250 HydrophobicContact CB-CD2 3.88Å; P201-Y250 HydrophobicContact CB-CE2 4.01Å; P201-Y250 HydrophobicContact CB-CG 4.28Å; P201-Y250 HydrophobicContact CG-CD2 4.42Å; P201-Y250 HydrophobicContact CG-CG 4.38Å; R206-Y250 PolarHBondContact NH2-OH 2.94Å; R206-Y250 VanDerWaalsContact NH2-OH 3.08Å; S248-Y250 PolarHBondContact O-N 3.38Å; S248-Y250 WeakPolarHBondContact OG-CB 3.43Å; S248-Y250 PolarHBondContact OG-N 2.72Å; S248-Y250 VanDerWaalsContact OG-N 3.11Å; Y250-E468 HydrophobicContact CE2-CG 3.86Å; Y250-E468 WeakPolarHBondContact CE2-OE1 3.48Å; Y250-E468 VanDerWaalsContact OH-CD 3.28Å; Y250-E468 WeakPolarHBondContact OH-CG 3.36Å; Y250-E468 PolarHBondContact OH-OE1 2.95Å
251	P	96.7	Very high	95.8	Very high	12 Å²	12	56.1 Å²	56.1	8%	0.078	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-81	157.7	175.5	34.4	-34.6	0	0	0	112.2	Y200 F241 Y242 K243	Y200-P251 HydrophobicContact CD1-CG 3.71Å; Y200-P251 HydrophobicContact CE1-CG 3.62Å; F241-P251 HydrophobicContact CD1-CB 4.43Å; F241-P251 HydrophobicContact CD2-CB 3.78Å; F241-P251 HydrophobicContact CD2-CG 3.97Å; F241-P251 HydrophobicContact CE1-CB 3.96Å; F241-P251 HydrophobicContact CE2-CB 3.28Å; F241-P251 HydrophobicContact CE2-CG 3.21Å; F241-P251 HydrophobicContact CG-CB 4.33Å; F241-P251 HydrophobicContact CZ-CB 3.36Å; F241-P251 HydrophobicContact CZ-CG 3.6Å; Y242-P251 WeakPolarHBondContact O-CA 3.29Å; K243-P251 HydrophobicContact CG-CB 3.95Å
252	V	97.1	Very high	95.8	Very high	66 Å²	66	55.6 Å²	55.6	40%	0.4	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	127.7	155.3	179.3	0	0	0	0	107.3	F241 Y242 P244	F241-V252 WeakPolarHBondContact CA-O 3.4Å; Y242-V252 HydrophobicContact CD1-CB 4.36Å; Y242-V252 HydrophobicContact CE1-CB 3.96Å; Y242-V252 HydrophobicContact CE1-CG1 3.75Å; Y242-V252 HydrophobicContact CE2-CB 4.33Å; Y242-V252 PolarHBondContact N-O 2.86Å; Y242-V252 PolarHBondContact O-N 2.85Å; P244-V252 HydrophobicContact CG-CB 4.46Å; P244-V252 HydrophobicContact CG-CG2 3.7Å
253	V	95.2	Very high	95.8	Very high	63 Å²	63	51.9 Å²	51.9	38%	0.382	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	126	-176.2	59	0	0	0	0	111.5	F241	F241-V253 HydrophobicContact CB-CG2 4.42Å; F241-V253 HydrophobicContact CD2-CB 4Å; F241-V253 HydrophobicContact CD2-CG2 4.04Å
254	D	95.5	Very high	95.8	Very high	79 Å²	79	51.1 Å²	51.1	42%	0.422	29%	0.289	S	S	.	.			trans	-96.9	99.7	161.5	-177.2	-26.3	0	0	0	108.1	D240 K256 L257 S258	D240-D254 PolarHBondContact O-N 3.42Å; D254-K256 VanDerWaalsContact C-N 3.26Å; D254-K256 PolarHBondContact O-N 2.68Å; D254-K256 PolarHBondContact OD1-N 3.27Å; D254-K256 VanDerWaalsContact OD1-N 3.08Å; D254-L257 HydrophobicContact CB-CB 3.81Å; D254-L257 PolarHBondContact O-N 3.37Å; D254-L257 PolarHBondContact OD1-N 2.83Å; D254-S258 WeakPolarHBondContact O-CB 3.11Å; D254-S258 PolarHBondContact O-N 3.2Å; D254-S258 PolarHBondContact O-OG 3.42Å
255	G	92.3	Very high	95.8	Very high	41 Å²	41	47.7 Å²	47.7	42%	0.423	27%	0.266	S	S	.	.	H	α-helix	trans	-61.7	-30.7	-175.4	0	0	0	0	0	114	S258 I259	G255-S258 WeakPolarHBondContact CA-OG 3.39Å; G255-S258 PolarHBondContact O-OG 2.95Å; G255-S258 VanDerWaalsContact O-OG 3.07Å; G255-I259 WeakPolarHBondContact O-CG1 3.42Å
256	K	92.8	Very high	95.9	Very high	140 Å²	140	43.4 Å²	43.4	61%	0.609	24%	0.243	S	C	*	.	H	α-helix	trans	-78.2	-45.4	178.3	-177.6	-178.7	175.1	-173.9	0	110.1	D254 I259 Q260	D254-K256 VanDerWaalsContact C-N 3.26Å; D254-K256 PolarHBondContact O-N 2.68Å; D254-K256 PolarHBondContact OD1-N 3.27Å; D254-K256 VanDerWaalsContact OD1-N 3.08Å; K256-I259 PolarHBondContact O-N 3.03Å; K256-Q260 WeakPolarHBondContact O-CG 3.41Å; K256-Q260 PolarHBondContact O-N 2.64Å
257	L	95.7	Very high	96.2	Very high	48 Å²	48	37.5 Å²	37.5	25%	0.251	21%	0.212	S	C	.	.	H	α-helix	trans	-64.5	-40.7	179.4	-176.7	59.2	0	0	0	111.6	D240 D254 I259 Q260 C261	D240-L257 HydrophobicContact CB-CB 4.37Å; D240-L257 HydrophobicContact CB-CD2 4.18Å; D240-L257 HydrophobicContact CB-CG 3.86Å; D254-L257 HydrophobicContact CB-CB 3.81Å; D254-L257 PolarHBondContact O-N 3.37Å; D254-L257 PolarHBondContact OD1-N 2.83Å; L257-I259 PolarHBondContact O-N 2.95Å; L257-Q260 WeakPolarHBondContact O-CB 3.45Å; L257-Q260 PolarHBondContact O-N 2.72Å; L257-Q260 VanDerWaalsContact O-N 3.12Å; L257-C261 WeakPolarHBondContact O-CB 3.36Å; L257-C261 PolarHBondContact O-N 3.11Å; L257-C261 PolarHBondContact O-SG 2.85Å; L257-C261 VanDerWaalsContact O-SG 3.32Å
258	S	96.4	Very high	96.4	Very high	24 Å²	24	39.3 Å²	39.3	17%	0.168	21%	0.206	C	C	.	.	H	α-helix	trans	-60.4	-41.1	178.5	52.6	0	0	0	0	113.5	D254 G255 C261 Y262	D254-S258 WeakPolarHBondContact O-CB 3.11Å; D254-S258 PolarHBondContact O-N 3.2Å; D254-S258 PolarHBondContact O-OG 3.42Å; G255-S258 WeakPolarHBondContact CA-OG 3.39Å; G255-S258 PolarHBondContact O-OG 2.95Å; G255-S258 VanDerWaalsContact O-OG 3.07Å; S258-C261 PolarHBondContact O-N 3.26Å; S258-Y262 WeakPolarHBondContact O-CB 3.5Å; S258-Y262 PolarHBondContact O-N 3.06Å
259	I	94.9	Very high	96.7	Very high	61 Å²	61	37.7 Å²	37.7	31%	0.313	20%	0.195	S	C	.	.	H	α-helix	trans	-63.6	-43.2	173.6	-66.3	170.4	0	0	0	110.9	G255 K256 L257 Y262 L263 M307	G255-I259 WeakPolarHBondContact O-CG1 3.42Å; K256-I259 PolarHBondContact O-N 3.03Å; L257-I259 PolarHBondContact O-N 2.95Å; I259-Y262 PolarHBondContact O-N 3.39Å; I259-L263 HydrophobicContact CG2-CD1 4.21Å; I259-L263 WeakPolarHBondContact O-CG 3.22Å; I259-L263 PolarHBondContact O-N 2.82Å; I259-L263 VanDerWaalsContact O-N 3.09Å; I259-M307 HydrophobicContact CG1-SD 4.39Å; I259-M307 HydrophobicContact CG2-CE 4.22Å; I259-M307 HydrophobicContact CG2-SD 4.16Å
260	Q	96.2	Very high	96.9	Very high	48 Å²	48	36.7 Å²	36.7	22%	0.224	19%	0.19	C	C	.	.	H	α-helix	trans	-65	-44.1	178.4	-68.4	176.6	-15.4	0	0	112.1	K256 L257 L263 R264	K256-Q260 WeakPolarHBondContact O-CG 3.41Å; K256-Q260 PolarHBondContact O-N 2.64Å; L257-Q260 WeakPolarHBondContact O-CB 3.45Å; L257-Q260 PolarHBondContact O-N 2.72Å; L257-Q260 VanDerWaalsContact O-N 3.12Å; Q260-L263 PolarHBondContact O-N 3.06Å; Q260-R264 VanDerWaalsContact O-CB 3.24Å; Q260-R264 WeakPolarHBondContact O-CB 3.43Å; Q260-R264 PolarHBondContact O-N 3.04Å
261	C	98.2	Very high	97	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-63.2	-42.7	177.3	-73.1	0	0	0	0	111.5	D240 L257 S258 R264 A265 Y412 L416	D240-C261 HydrophobicContact CB-CB 4.14Å; L257-C261 WeakPolarHBondContact O-CB 3.36Å; L257-C261 PolarHBondContact O-N 3.11Å; L257-C261 PolarHBondContact O-SG 2.85Å; L257-C261 VanDerWaalsContact O-SG 3.32Å; S258-C261 PolarHBondContact O-N 3.26Å; C261-R264 PolarHBondContact O-N 3.22Å; C261-R264 PolarHBondContact SG-NH2 3.3Å; C261-A265 VanDerWaalsContact O-CB 3.23Å; C261-A265 WeakPolarHBondContact O-CB 3.35Å; C261-A265 PolarHBondContact O-N 3.45Å; C261-Y412 VanDerWaalsContact CB-OH 3.23Å; C261-Y412 WeakPolarHBondContact CB-OH 3.16Å; C261-L416 HydrophobicContact CB-CD2 3.71Å
262	Y	98.6	Very high	97.1	Very high	6 Å²	6	39.5 Å²	39.5	2%	0.024	21%	0.212	C	C	.	.	H	α-helix	trans	-58.3	-52.2	174.3	-174	-68	0	0	0	111.7	S258 I259 A265 L266 H301 M307 S311 F410 Y412	S258-Y262 WeakPolarHBondContact O-CB 3.5Å; S258-Y262 PolarHBondContact O-N 3.06Å; I259-Y262 PolarHBondContact O-N 3.39Å; Y262-A265 PolarHBondContact O-N 3.01Å; Y262-L266 WeakPolarHBondContact O-CB 3.35Å; Y262-L266 PolarHBondContact O-N 2.91Å; Y262-H301 AromaticContact CE2-CD2 3.88Å; Y262-H301 PolarHBondContact OH-O 3.1Å; Y262-M307 HydrophobicContact CD1-CE 3.26Å; Y262-M307 HydrophobicContact CD2-CE 4.39Å; Y262-M307 HydrophobicContact CE1-CE 3.85Å; Y262-M307 HydrophobicContact CG-CE 3.6Å; Y262-S311 WeakPolarHBondContact CE1-OG 3.32Å; Y262-F410 AromaticContact CD1-CE1 3.98Å; Y262-F410 HydrophobicContact CD1-CE1 3.98Å; Y262-F410 HydrophobicContact CD2-CE1 4.47Å; Y262-F410 AromaticContact CE1-CD1 3.95Å; Y262-F410 HydrophobicContact CE1-CD1 3.95Å; Y262-F410 AromaticContact CE1-CE1 3.48Å; Y262-F410 HydrophobicContact CE1-CE1 3.48Å; Y262-F410 VanDerWaalsContact CE1-CE1 3.48Å; Y262-F410 HydrophobicContact CE2-CE1 4.06Å; Y262-F410 HydrophobicContact CG-CE1 4.45Å; Y262-F410 AromaticContact CZ-CD1 3.79Å; Y262-F410 AromaticContact CZ-CE1 3.54Å; Y262-Y412 AromaticContact CD2-CD1 3.53Å; Y262-Y412 HydrophobicContact CD2-CD1 3.53Å; Y262-Y412 HydrophobicContact CD2-CD2 4.25Å; Y262-Y412 HydrophobicContact CD2-CE1 4.08Å; Y262-Y412 AromaticContact CD2-CG 3.63Å; Y262-Y412 HydrophobicContact CD2-CG 3.63Å; Y262-Y412 HydrophobicContact CE2-CD1 4.22Å; Y262-Y412 HydrophobicContact CE2-CG 4.14Å; Y262-Y412 HydrophobicContact CG-CD1 4.35Å; Y262-Y412 HydrophobicContact CG-CD2 4.43Å; Y262-Y412 HydrophobicContact CG-CG 4.25Å
263	L	98.1	Very high	97.2	Very high	7 Å²	7	36.3 Å²	36.3	4%	0.037	19%	0.193	C	C	.	.	H	α-helix	trans	-67.3	-38.5	-177.9	-65.1	175.3	0	0	0	112	I259 Q260 L266 D267 M307 R314 Y347	I259-L263 HydrophobicContact CG2-CD1 4.21Å; I259-L263 WeakPolarHBondContact O-CG 3.22Å; I259-L263 PolarHBondContact O-N 2.82Å; I259-L263 VanDerWaalsContact O-N 3.09Å; Q260-L263 PolarHBondContact O-N 3.06Å; L263-L266 WeakPolarHBondContact O-CB 3.42Å; L263-L266 PolarHBondContact O-N 2.87Å; L263-D267 PolarHBondContact O-N 2.93Å; L263-M307 HydrophobicContact CD2-CE 3.61Å; L263-M307 HydrophobicContact CG-CE 3.76Å; L263-R314 HydrophobicContact CD2-CB 4.19Å; L263-R314 HydrophobicContact CD2-CG 4.18Å; L263-Y347 HydrophobicContact CB-CD1 3.6Å; L263-Y347 HydrophobicContact CB-CE1 3.73Å; L263-Y347 HydrophobicContact CD1-CD1 4.06Å; L263-Y347 HydrophobicContact CG-CD1 4.49Å
264	R	98.4	Very high	97.4	Very high	46 Å²	46	34.3 Å²	34.3	17%	0.174	18%	0.178	C	C	.	.	H	α-helix	trans	-61.2	-47.1	173.7	179.2	169.8	66.9	-112.5	8.2	111.2	E236 Q260 C261 L266 D267 R268 Y347	E236-R264 IonicContact OE1-CZ 3.92Å; E236-R264 IonicContact OE1-NE 3.06Å; E236-R264 PolarHBondContact OE1-NE 2.85Å; E236-R264 IonicContact OE1-NH2 3.8Å; E236-R264 IonicContact OE2-CZ 2.67Å; E236-R264 IonicContact OE2-NE 3.41Å; E236-R264 PolarHBondContact OE2-NE 2.79Å; E236-R264 IonicContact OE2-NH2 2.64Å; E236-R264 PolarHBondContact OE2-NH2 2.87Å; Q260-R264 VanDerWaalsContact O-CB 3.24Å; Q260-R264 WeakPolarHBondContact O-CB 3.43Å; Q260-R264 PolarHBondContact O-N 3.04Å; C261-R264 PolarHBondContact O-N 3.22Å; C261-R264 PolarHBondContact SG-NH2 3.3Å; R264-L266 VanDerWaalsContact C-N 3.29Å; R264-L266 PolarHBondContact O-N 3.48Å; R264-D267 PolarHBondContact O-N 3.47Å; R264-R268 VanDerWaalsContact O-CG 3.32Å; R264-R268 WeakPolarHBondContact O-CG 3.4Å; R264-R268 PolarHBondContact O-N 3.27Å; R264-R268 VanDerWaalsContact O-N 3.08Å; R264-Y347 WeakPolarHBondContact CA-OH 3.41Å; R264-Y347 HydrophobicContact CB-CE1 4.38Å; R264-Y347 HydrophobicContact CB-CE2 4.43Å; R264-Y347 WeakPolarHBondContact CB-OH 3.41Å
265	A	98.8	Very high	97.6	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-62.2	-39.1	177.4	0	0	0	0	0	111.5	C261 Y262 R268 C269 F410 Y412 L416 A418	C261-A265 VanDerWaalsContact O-CB 3.23Å; C261-A265 WeakPolarHBondContact O-CB 3.35Å; C261-A265 PolarHBondContact O-N 3.45Å; Y262-A265 PolarHBondContact O-N 3.01Å; A265-R268 PolarHBondContact O-N 3.12Å; A265-C269 VanDerWaalsContact O-CB 3.25Å; A265-C269 WeakPolarHBondContact O-CB 3.45Å; A265-C269 PolarHBondContact O-N 3.35Å; A265-C269 PolarHBondContact O-SG 2.99Å; A265-F410 HydrophobicContact CB-CZ 4.3Å; A265-Y412 HydrophobicContact CB-CD2 3.86Å; A265-Y412 HydrophobicContact CB-CE2 3.84Å; A265-L416 HydrophobicContact CB-CD1 3.86Å; A265-L416 HydrophobicContact CB-CD2 4.46Å; A265-A418 HydrophobicContact CB-CB 3.78Å
266	L	98.8	Very high	97.9	Very high	0 Å²	0	39 Å²	39	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-59.6	-48.6	174.3	-178.8	62.8	0	0	0	111.8	Y262 L263 R264 R268 C269 Y270 F300 S311 R314 L315 F410 F420	Y262-L266 WeakPolarHBondContact O-CB 3.35Å; Y262-L266 PolarHBondContact O-N 2.91Å; L263-L266 WeakPolarHBondContact O-CB 3.42Å; L263-L266 PolarHBondContact O-N 2.87Å; R264-L266 VanDerWaalsContact C-N 3.29Å; R264-L266 PolarHBondContact O-N 3.48Å; L266-R268 VanDerWaalsContact C-N 3.35Å; L266-R268 PolarHBondContact O-N 3.09Å; L266-C269 PolarHBondContact O-N 3.48Å; L266-Y270 WeakPolarHBondContact O-CB 3.26Å; L266-Y270 PolarHBondContact O-N 3.08Å; L266-F300 HydrophobicContact CD1-CE1 4.02Å; L266-F300 HydrophobicContact CD2-CE1 4.23Å; L266-S311 WeakPolarHBondContact CD2-O 3.37Å; L266-R314 HydrophobicContact CD2-CB 4.28Å; L266-R314 HydrophobicContact CD2-CG 4.32Å; L266-L315 HydrophobicContact CD1-CD2 3.76Å; L266-L315 HydrophobicContact CD1-CG 4.32Å; L266-L315 HydrophobicContact CD2-CD2 4.15Å; L266-L315 HydrophobicContact CD2-CG 4.25Å; L266-L315 HydrophobicContact CG-CD2 3.8Å; L266-L315 HydrophobicContact CG-CG 4.41Å; L266-F410 HydrophobicContact CB-CE1 4.05Å; L266-F410 HydrophobicContact CB-CE2 4.13Å; L266-F410 HydrophobicContact CB-CZ 3.77Å; L266-F410 HydrophobicContact CD1-CB 4.1Å; L266-F410 HydrophobicContact CD1-CD1 3.78Å; L266-F410 HydrophobicContact CD1-CD2 3.62Å; L266-F410 HydrophobicContact CD1-CE1 4.03Å; L266-F410 HydrophobicContact CD1-CE2 3.9Å; L266-F410 HydrophobicContact CD1-CG 3.54Å; L266-F410 HydrophobicContact CD1-CZ 4.09Å; L266-F420 HydrophobicContact CD1-CD2 4.39Å
267	D	98.6	Very high	98.1	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-57.8	-46.5	177.9	-65.6	-25.9	0	0	0	111.9	L263 R264 T271 R314 N318 L343 Y347	L263-D267 PolarHBondContact O-N 2.93Å; R264-D267 PolarHBondContact O-N 3.47Å; D267-T271 VanDerWaalsContact O-CB 3.3Å; D267-T271 WeakPolarHBondContact O-CB 3.31Å; D267-T271 PolarHBondContact O-N 2.95Å; D267-T271 PolarHBondContact O-OG1 3.02Å; D267-R314 WeakPolarHBondContact OD1-CG 3.49Å; D267-R314 IonicContact OD1-CZ 2.72Å; D267-R314 IonicContact OD1-NE 2.68Å; D267-R314 PolarHBondContact OD1-NE 2.8Å; D267-R314 IonicContact OD1-NH2 3.72Å; D267-R314 IonicContact OD2-CZ 2.88Å; D267-R314 IonicContact OD2-NE 3.81Å; D267-R314 PolarHBondContact OD2-NE 3.44Å; D267-R314 IonicContact OD2-NH2 3.64Å; D267-R314 PolarHBondContact OD2-NH2 3.36Å; D267-N318 PolarHBondContact OD1-ND2 3.48Å; D267-L343 HydrophobicContact CB-CD1 4.1Å; D267-Y347 PolarHBondContact OD2-OH 2.85Å
268	R	98.8	Very high	98.3	Very high	99 Å²	99	33.1 Å²	33.1	37%	0.374	16%	0.157	S	C	.	.	H	α-helix	trans	-67.7	-45.8	-179.2	-63.1	-63.3	-176	-106.3	1.6	111.5	H234 R264 A265 L266 T271 S272 E344	H234-R268 HydrophobicContact CB-CB 3.89Å; R264-R268 VanDerWaalsContact O-CG 3.32Å; R264-R268 WeakPolarHBondContact O-CG 3.4Å; R264-R268 PolarHBondContact O-N 3.27Å; R264-R268 VanDerWaalsContact O-N 3.08Å; A265-R268 PolarHBondContact O-N 3.12Å; L266-R268 VanDerWaalsContact C-N 3.35Å; L266-R268 PolarHBondContact O-N 3.09Å; R268-T271 PolarHBondContact O-N 3.22Å; R268-S272 WeakPolarHBondContact O-CB 3.45Å; R268-S272 PolarHBondContact O-N 3.35Å; R268-E344 IonicContact CZ-OE1 2.99Å; R268-E344 IonicContact NH1-OE1 2.72Å; R268-E344 PolarHBondContact NH1-OE1 2.79Å; R268-E344 VanDerWaalsContact NH1-OE1 3.1Å; R268-E344 IonicContact NH2-OE1 2.68Å; R268-E344 PolarHBondContact NH2-OE1 3.09Å
269	C	98.9	Very high	98.4	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-64	-45.7	178.6	-69	0	0	0	0	111.6	G232 H234 A265 L266 S272 Y273 F410 A418 F420	G232-C269 WeakPolarHBondContact O-CA 3.39Å; G232-C269 VanDerWaalsContact O-CB 3.23Å; G232-C269 WeakPolarHBondContact O-CB 3.49Å; G232-C269 PolarHBondContact O-SG 3.41Å; G232-C269 VanDerWaalsContact O-SG 3.39Å; H234-C269 VanDerWaalsContact CB-SG 3.59Å; A265-C269 VanDerWaalsContact O-CB 3.25Å; A265-C269 WeakPolarHBondContact O-CB 3.45Å; A265-C269 PolarHBondContact O-N 3.35Å; A265-C269 PolarHBondContact O-SG 2.99Å; L266-C269 PolarHBondContact O-N 3.48Å; C269-S272 PolarHBondContact O-N 2.96Å; C269-Y273 WeakPolarHBondContact O-CB 3.41Å; C269-Y273 PolarHBondContact O-N 3.32Å; C269-F410 HydrophobicContact CB-CD2 4.28Å; C269-F410 HydrophobicContact CB-CE2 3.93Å; C269-A418 PolarHBondContact SG-O 3.18Å; C269-F420 HydrophobicContact CB-CB 3.68Å
270	Y	98.9	Very high	98.5	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-63.5	-43.4	178.6	-173.5	-121.9	0	0	0	111.7	L266 S272 Y273 R274 F290 L292 L315 N318 D319 F420	L266-Y270 WeakPolarHBondContact O-CB 3.26Å; L266-Y270 PolarHBondContact O-N 3.08Å; Y270-S272 PolarHBondContact O-N 2.92Å; Y270-Y273 PolarHBondContact O-N 3.3Å; Y270-R274 HydrophobicContact CD1-CG 4.42Å; Y270-R274 HydrophobicContact CD2-CG 4.39Å; Y270-R274 VanDerWaalsContact CE1-CD 3.48Å; Y270-R274 HydrophobicContact CE1-CG 4.2Å; Y270-R274 HydrophobicContact CE2-CG 4.17Å; Y270-R274 WeakPolarHBondContact O-CB 3.44Å; Y270-R274 VanDerWaalsContact O-CG 3.28Å; Y270-R274 WeakPolarHBondContact O-CG 3.45Å; Y270-R274 PolarHBondContact O-N 3.48Å; Y270-F290 HydrophobicContact CE2-CD1 4.16Å; Y270-F290 AromaticContact CE2-CE1 3.76Å; Y270-F290 HydrophobicContact CE2-CE1 3.76Å; Y270-L292 PolarHBondContact OH-N 3.03Å; Y270-L315 HydrophobicContact CD1-CD2 3.68Å; Y270-L315 HydrophobicContact CD2-CD2 3.7Å; Y270-L315 HydrophobicContact CE1-CD2 4.16Å; Y270-L315 HydrophobicContact CE2-CD2 4.17Å; Y270-L315 HydrophobicContact CG-CD2 3.43Å; Y270-L315 VanDerWaalsContact CG-CD2 3.43Å; Y270-N318 HydrophobicContact CD1-CB 3.79Å; Y270-N318 HydrophobicContact CE1-CB 3.92Å; Y270-D319 VanDerWaalsContact CE1-OD1 3.22Å; Y270-D319 WeakPolarHBondContact CE1-OD1 3.37Å; Y270-D319 PolarHBondContact OH-OD1 3.5Å; Y270-D319 PolarHBondContact OH-OD2 3.41Å; Y270-F420 HydrophobicContact CD2-CD2 4.04Å; Y270-F420 AromaticContact CD2-CE2 3.68Å; Y270-F420 HydrophobicContact CD2-CE2 3.68Å; Y270-F420 AromaticContact CD2-CZ 3.98Å; Y270-F420 HydrophobicContact CD2-CZ 3.98Å; Y270-F420 HydrophobicContact CE2-CE2 4.27Å; Y270-F420 HydrophobicContact CE2-CZ 4.23Å
271	T	98.8	Very high	98.7	Very high	65 Å²	65	36.1 Å²	36.1	40%	0.399	17%	0.168	S	C	.	.	H	α-helix	trans	-60.1	-44.5	174.2	-63.7	0	0	0	0	112.2	D267 R268 K275	D267-T271 VanDerWaalsContact O-CB 3.3Å; D267-T271 WeakPolarHBondContact O-CB 3.31Å; D267-T271 PolarHBondContact O-N 2.95Å; D267-T271 PolarHBondContact O-OG1 3.02Å; R268-T271 PolarHBondContact O-N 3.22Å; T271-K275 WeakPolarHBondContact O-CB 3.17Å; T271-K275 PolarHBondContact O-N 3.28Å
272	S	98.9	Very high	98.6	Very high	36 Å²	36	42.6 Å²	42.6	25%	0.252	20%	0.196	S	C	.	.	H	α-helix	trans	-63	-44.4	176.6	-174.1	0	0	0	0	112	R268 C269 Y270 K275 K276	R268-S272 WeakPolarHBondContact O-CB 3.45Å; R268-S272 PolarHBondContact O-N 3.35Å; C269-S272 PolarHBondContact O-N 2.96Å; Y270-S272 PolarHBondContact O-N 2.92Å; S272-K275 PolarHBondContact O-N 2.68Å; S272-K276 WeakPolarHBondContact O-CG 3.47Å; S272-K276 PolarHBondContact O-N 3.08Å; S272-K276 VanDerWaalsContact O-N 3.09Å
273	Y	98.9	Very high	98.6	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-61.3	-49.8	176.7	177.4	-84.8	0	0	0	111.7	L230 C269 Y270 K275 K276 I277 F290 F420 S422	L230-Y273 HydrophobicContact CB-CD2 4.16Å; L230-Y273 HydrophobicContact CB-CE2 3.66Å; L230-Y273 HydrophobicContact CD1-CE2 4.35Å; L230-Y273 WeakPolarHBondContact O-CD2 3.46Å; L230-Y273 WeakPolarHBondContact O-CE2 3.37Å; C269-Y273 WeakPolarHBondContact O-CB 3.41Å; C269-Y273 PolarHBondContact O-N 3.32Å; Y270-Y273 PolarHBondContact O-N 3.3Å; Y273-K275 VanDerWaalsContact C-N 3.32Å; Y273-K275 PolarHBondContact O-N 2.96Å; Y273-K276 PolarHBondContact O-N 3.49Å; Y273-K276 VanDerWaalsContact O-N 3.08Å; Y273-I277 HydrophobicContact CD1-CG2 4.41Å; Y273-I277 HydrophobicContact CE1-CD1 4.45Å; Y273-I277 HydrophobicContact CE1-CG2 4.11Å; Y273-I277 PolarHBondContact O-N 3.28Å; Y273-F290 HydrophobicContact CD1-CE1 4.39Å; Y273-F290 HydrophobicContact CD1-CZ 4.33Å; Y273-F290 HydrophobicContact CE1-CD2 4.2Å; Y273-F290 HydrophobicContact CE1-CE1 4.03Å; Y273-F290 AromaticContact CE1-CE2 3.66Å; Y273-F290 HydrophobicContact CE1-CE2 3.66Å; Y273-F290 AromaticContact CE1-CZ 3.54Å; Y273-F290 HydrophobicContact CE1-CZ 3.54Å; Y273-F420 AromaticContact CD1-CD1 3.95Å; Y273-F420 HydrophobicContact CD1-CD1 3.95Å; Y273-F420 AromaticContact CD1-CE1 3.93Å; Y273-F420 HydrophobicContact CD1-CE1 3.93Å; Y273-F420 AromaticContact CD2-CD1 3.54Å; Y273-F420 HydrophobicContact CD2-CD1 3.54Å; Y273-F420 HydrophobicContact CD2-CE1 4.08Å; Y273-F420 HydrophobicContact CE1-CD1 4.43Å; Y273-F420 HydrophobicContact CE1-CE1 4.08Å; Y273-F420 HydrophobicContact CE2-CD1 4.02Å; Y273-F420 HydrophobicContact CE2-CE1 4.17Å; Y273-F420 AromaticContact CG-CD1 3.49Å; Y273-F420 HydrophobicContact CG-CD1 3.49Å; Y273-F420 VanDerWaalsContact CG-CD1 3.49Å; Y273-F420 AromaticContact CG-CE1 3.95Å; Y273-F420 HydrophobicContact CG-CE1 3.95Å; Y273-F420 HydrophobicContact CG-CG 4.37Å; Y273-S422 WeakPolarHBondContact CE2-OG 3.42Å; Y273-S422 VanDerWaalsContact OH-CB 3.27Å; Y273-S422 WeakPolarHBondContact OH-CB 3.47Å; Y273-S422 PolarHBondContact OH-OG 2.79Å
274	R	98.8	Very high	98.5	Very high	21 Å²	21	54.2 Å²	54.2	8%	0.079	27%	0.265	C	S	.	.	H	α-helix	trans	-55.7	-45.6	177.1	-73.6	-169.4	-63.7	165	8.3	112.1	Y270 K276 I277 Q278 F290 D319 S322	Y270-R274 HydrophobicContact CD1-CG 4.42Å; Y270-R274 HydrophobicContact CD2-CG 4.39Å; Y270-R274 VanDerWaalsContact CE1-CD 3.48Å; Y270-R274 HydrophobicContact CE1-CG 4.2Å; Y270-R274 HydrophobicContact CE2-CG 4.17Å; Y270-R274 WeakPolarHBondContact O-CB 3.44Å; Y270-R274 VanDerWaalsContact O-CG 3.28Å; Y270-R274 WeakPolarHBondContact O-CG 3.45Å; Y270-R274 PolarHBondContact O-N 3.48Å; R274-K276 VanDerWaalsContact C-N 3.33Å; R274-K276 PolarHBondContact O-N 3.24Å; R274-I277 WeakPolarHBondContact O-CG2 3.2Å; R274-I277 PolarHBondContact O-N 3.16Å; R274-Q278 VanDerWaalsContact O-CB 3.23Å; R274-Q278 WeakPolarHBondContact O-CB 3.47Å; R274-Q278 WeakPolarHBondContact O-CG 3.46Å; R274-Q278 PolarHBondContact O-N 3.45Å; R274-F290 HydrophobicContact CB-CB 4.36Å; R274-F290 HydrophobicContact CG-CB 4Å; R274-F290 HydrophobicContact CG-CD1 3.6Å; R274-F290 HydrophobicContact CG-CE1 4.48Å; R274-F290 HydrophobicContact CG-CG 4.09Å; R274-D319 IonicContact NH1-OD1 3.78Å; R274-S322 VanDerWaalsContact NH1-CB 3.29Å; R274-S322 PolarHBondContact NH1-OG 3.43Å; R274-S322 PolarHBondContact NH2-OG 3Å; R274-S322 VanDerWaalsContact NH2-OG 3.09Å
275	K	98.8	Very high	98.5	Very high	138 Å²	138	55.4 Å²	55.4	60%	0.6	29%	0.292	S	S	*	.	H	α-helix	trans	-58.3	-45.5	175.9	-175.7	-178.2	179.4	179.8	0	111.6	T271 S272 Y273 N279	T271-K275 WeakPolarHBondContact O-CB 3.17Å; T271-K275 PolarHBondContact O-N 3.28Å; S272-K275 PolarHBondContact O-N 2.68Å; Y273-K275 VanDerWaalsContact C-N 3.32Å; Y273-K275 PolarHBondContact O-N 2.96Å; K275-N279 WeakPolarHBondContact O-CB 3.33Å; K275-N279 PolarHBondContact O-N 2.93Å; K275-N279 PolarHBondContact O-ND2 3.3Å; K275-N279 PolarHBondContact O-OD1 3.19Å
276	K	98.8	Very high	98.4	Very high	81 Å²	81	57.3 Å²	57.3	35%	0.352	31%	0.305	S	S	.	.	H	α-helix	trans	-65.2	-47.8	-178.1	-72	176.8	177	-157.2	0	112.1	G229 L230 R231 S272 Y273 R274 N279 Q280	G229-K276 WeakPolarHBondContact O-CD 3.19Å; L230-K276 HydrophobicContact CD2-CB 3.98Å; R231-K276 WeakPolarHBondContact O-CE 3.2Å; R231-K276 PolarHBondContact O-NZ 3Å; S272-K276 WeakPolarHBondContact O-CG 3.47Å; S272-K276 PolarHBondContact O-N 3.08Å; S272-K276 VanDerWaalsContact O-N 3.09Å; Y273-K276 PolarHBondContact O-N 3.49Å; Y273-K276 VanDerWaalsContact O-N 3.08Å; R274-K276 VanDerWaalsContact C-N 3.33Å; R274-K276 PolarHBondContact O-N 3.24Å; K276-N279 PolarHBondContact O-N 3.26Å; K276-Q280 PolarHBondContact O-N 3.15Å; K276-Q280 VanDerWaalsContact O-N 3.16Å
277	I	98.6	Very high	98.3	Very high	1 Å²	1	63.7 Å²	63.7	1%	0.005	34%	0.339	C	S	.	.	H	α-helix	trans	-69.3	-39.5	-179.6	-165.6	172.5	0	0	0	112.2	L230 Y273 R274 N279 Q280 W281 F290	L230-I277 HydrophobicContact CD1-CB 4.02Å; L230-I277 HydrophobicContact CD1-CD1 3.76Å; L230-I277 HydrophobicContact CD1-CG1 3.79Å; L230-I277 HydrophobicContact CD2-CB 3.74Å; L230-I277 HydrophobicContact CD2-CG1 4.24Å; Y273-I277 HydrophobicContact CD1-CG2 4.41Å; Y273-I277 HydrophobicContact CE1-CD1 4.45Å; Y273-I277 HydrophobicContact CE1-CG2 4.11Å; Y273-I277 PolarHBondContact O-N 3.28Å; R274-I277 WeakPolarHBondContact O-CG2 3.2Å; R274-I277 PolarHBondContact O-N 3.16Å; I277-N279 VanDerWaalsContact C-N 3.31Å; I277-N279 PolarHBondContact O-N 3.42Å; I277-Q280 WeakPolarHBondContact O-CB 3.44Å; I277-Q280 PolarHBondContact O-N 3.06Å; I277-Q280 VanDerWaalsContact O-N 3.15Å; I277-W281 HydrophobicContact CD1-CH2 4.11Å; I277-W281 HydrophobicContact CD1-CZ2 3.43Å; I277-W281 VanDerWaalsContact CD1-CZ2 3.43Å; I277-W281 HydrophobicContact CG1-CD2 4.19Å; I277-W281 HydrophobicContact CG1-CH2 4.42Å; I277-W281 HydrophobicContact CG1-CZ2 3.77Å; I277-W281 PolarHBondContact O-N 3.2Å; I277-F290 HydrophobicContact CD1-CD2 3.81Å; I277-F290 HydrophobicContact CD1-CE2 3.85Å; I277-F290 HydrophobicContact CG2-CB 3.89Å; I277-F290 HydrophobicContact CG2-CD2 3.52Å; I277-F290 HydrophobicContact CG2-CE2 4.29Å; I277-F290 HydrophobicContact CG2-CG 3.86Å
278	Q	98.6	Very high	98.2	Very high	63 Å²	63	68.6 Å²	68.6	29%	0.294	36%	0.357	S	S	.	.	H	α-helix	trans	-64.1	-35.3	174.9	-73.5	168.7	-154	0	0	112.1	R274 W281 K282 F290	R274-Q278 VanDerWaalsContact O-CB 3.23Å; R274-Q278 WeakPolarHBondContact O-CB 3.47Å; R274-Q278 WeakPolarHBondContact O-CG 3.46Å; R274-Q278 PolarHBondContact O-N 3.45Å; Q278-W281 HydrophobicContact CG-CE3 4.39Å; Q278-W281 PolarHBondContact O-N 3.09Å; Q278-K282 WeakPolarHBondContact O-CB 3.3Å; Q278-K282 PolarHBondContact O-N 2.92Å; Q278-F290 HydrophobicContact CG-CB 4.22Å
279	N	98.7	Very high	98.1	Very high	84 Å²	84	68 Å²	68	45%	0.449	37%	0.366	S	S	.	.	H	α-helix	trans	-63.7	-41.2	172.8	-74	-11.7	0	0	0	111.8	K275 K276 I277 K282 Q283	K275-N279 WeakPolarHBondContact O-CB 3.33Å; K275-N279 PolarHBondContact O-N 2.93Å; K275-N279 PolarHBondContact O-ND2 3.3Å; K275-N279 PolarHBondContact O-OD1 3.19Å; K276-N279 PolarHBondContact O-N 3.26Å; I277-N279 VanDerWaalsContact C-N 3.31Å; I277-N279 PolarHBondContact O-N 3.42Å; N279-K282 PolarHBondContact O-N 2.95Å; N279-Q283 WeakPolarHBondContact O-CG 3.4Å; N279-Q283 PolarHBondContact O-N 3.06Å; N279-Q283 VanDerWaalsContact O-N 3.13Å
280	Q	98.4	Very high	98.1	Very high	76 Å²	76	68 Å²	68	36%	0.355	37%	0.366	S	S	.	.	H	α-helix	trans	-65	-41.9	174.7	-69.4	-178.6	-5.1	0	0	111.6	R228 K276 I277 Q283 A284	R228-Q280 PolarHBondContact O-NE2 3.21Å; K276-Q280 PolarHBondContact O-N 3.15Å; K276-Q280 VanDerWaalsContact O-N 3.16Å; I277-Q280 WeakPolarHBondContact O-CB 3.44Å; I277-Q280 PolarHBondContact O-N 3.06Å; I277-Q280 VanDerWaalsContact O-N 3.15Å; Q280-Q283 WeakPolarHBondContact O-CB 3.5Å; Q280-Q283 PolarHBondContact O-N 2.89Å; Q280-A284 PolarHBondContact O-N 2.94Å; Q280-A284 VanDerWaalsContact O-N 3.11Å
281	W	98.5	Very high	98.1	Very high	35 Å²	35	69.5 Å²	69.5	13%	0.133	38%	0.375	C	S	.	.	H	α-helix	trans	-64.6	-38.8	175.6	-70.4	-12.6	0	0	0	112.9	I277 Q278 Q283 A284 G285 S286 R288 F290 D294	I277-W281 HydrophobicContact CD1-CH2 4.11Å; I277-W281 HydrophobicContact CD1-CZ2 3.43Å; I277-W281 VanDerWaalsContact CD1-CZ2 3.43Å; I277-W281 HydrophobicContact CG1-CD2 4.19Å; I277-W281 HydrophobicContact CG1-CH2 4.42Å; I277-W281 HydrophobicContact CG1-CZ2 3.77Å; I277-W281 PolarHBondContact O-N 3.2Å; Q278-W281 HydrophobicContact CG-CE3 4.39Å; Q278-W281 PolarHBondContact O-N 3.09Å; W281-Q283 VanDerWaalsContact C-N 3.32Å; W281-Q283 PolarHBondContact O-N 2.86Å; W281-A284 CarbonylContact O-C 3.56Å; W281-A284 VanDerWaalsContact O-C 3.23Å; W281-A284 WeakPolarHBondContact O-CA 3.34Å; W281-A284 WeakPolarHBondContact O-CB 3.04Å; W281-A284 PolarHBondContact O-N 3.39Å; W281-G285 PolarHBondContact O-N 3.25Å; W281-S286 CarbonylContact C-O 3.56Å; W281-S286 PolarHBondContact O-N 3.33Å; W281-R288 HydrophobicContact CE3-CG 3.77Å; W281-R288 VanDerWaalsContact CH2-NH1 3.34Å; W281-R288 HydrophobicContact CZ3-CG 3.9Å; W281-R288 VanDerWaalsContact CZ3-NH1 3.35Å; W281-F290 HydrophobicContact CH2-CB 4.17Å; W281-F290 AromaticContact CH2-CD2 3.5Å; W281-F290 HydrophobicContact CH2-CD2 3.5Å; W281-F290 HydrophobicContact CH2-CE2 4.34Å; W281-F290 HydrophobicContact CH2-CG 4.29Å; W281-F290 HydrophobicContact CZ2-CD2 4.17Å; W281-F290 HydrophobicContact CZ3-CB 3.96Å; W281-F290 HydrophobicContact CZ3-CD2 4.15Å; W281-D294 HydrophobicContact CH2-CB 4.29Å
282	K	98	Very high	98.1	Very high	137 Å²	137	66.5 Å²	66.5	60%	0.596	36%	0.357	S	S	*	.	H	α-helix	trans	-61.6	-41.4	175.1	-173	172.2	-173.3	174.8	0	111.8	Q278 N279 A284 G285 S286	Q278-K282 WeakPolarHBondContact O-CB 3.3Å; Q278-K282 PolarHBondContact O-N 2.92Å; N279-K282 PolarHBondContact O-N 2.95Å; K282-A284 PolarHBondContact O-N 2.85Å; K282-G285 PolarHBondContact O-N 3.23Å; K282-S286 WeakPolarHBondContact CA-O 3.34Å; K282-S286 PolarHBondContact N-O 3.32Å
283	Q	97.4	Very high	98	Very high	173 Å²	173	69.1 Å²	69.1	81%	0.808	37%	0.368	S	S	*	.	H	α-helix	trans	-62.3	-30.2	172.3	-70.1	172.6	-10.2	0	0	112.3	N279 Q280 W281 G285	N279-Q283 WeakPolarHBondContact O-CG 3.4Å; N279-Q283 PolarHBondContact O-N 3.06Å; N279-Q283 VanDerWaalsContact O-N 3.13Å; Q280-Q283 WeakPolarHBondContact O-CB 3.5Å; Q280-Q283 PolarHBondContact O-N 2.89Å; W281-Q283 VanDerWaalsContact C-N 3.32Å; W281-Q283 PolarHBondContact O-N 2.86Å; Q283-G285 VanDerWaalsContact C-N 3.33Å
284	A	96.5	Very high	98	Very high	84 Å²	84	70.1 Å²	70.1	69%	0.694	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	10.3	174.3	0	0	0	0	0	114.1	Q280 W281 K282	Q280-A284 PolarHBondContact O-N 2.94Å; Q280-A284 VanDerWaalsContact O-N 3.11Å; W281-A284 CarbonylContact O-C 3.56Å; W281-A284 VanDerWaalsContact O-C 3.23Å; W281-A284 WeakPolarHBondContact O-CA 3.34Å; W281-A284 WeakPolarHBondContact O-CB 3.04Å; W281-A284 PolarHBondContact O-N 3.39Å; K282-A284 PolarHBondContact O-N 2.85Å
285	G	97.8	Very high	98	Very high	71 Å²	71	69.1 Å²	69.1	73%	0.732	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	81	23.3	176.4	0	0	0	0	0	115.7	W281 K282 Q283	W281-G285 PolarHBondContact O-N 3.25Å; K282-G285 PolarHBondContact O-N 3.23Å; Q283-G285 VanDerWaalsContact C-N 3.33Å
286	S	97.6	Very high	98	Very high	40 Å²	40	66.4 Å²	66.4	28%	0.28	36%	0.359	S	S	.	.			trans	-125	120.9	176.6	-173	0	0	0	0	112.1	W281 K282 R288	W281-S286 CarbonylContact C-O 3.56Å; W281-S286 PolarHBondContact O-N 3.33Å; K282-S286 WeakPolarHBondContact CA-O 3.34Å; K282-S286 PolarHBondContact N-O 3.32Å; S286-R288 WeakPolarHBondContact OG-CG 3.21Å
287	D	96.6	Very high	98	Very high	133 Å²	133	63.5 Å²	63.5	71%	0.711	35%	0.346	S	S	*	.			trans	-96.1	11.6	178.7	-68.1	-59.4	0	0	0	113.5
288	R	96.3	Very high	98	Very high	104 Å²	104	63.5 Å²	63.5	39%	0.392	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-66.9	144.3	-177.5	73.9	-172.6	-169.6	85.7	-13.1	111.6	W281 S286 D294	W281-R288 HydrophobicContact CE3-CG 3.77Å; W281-R288 VanDerWaalsContact CH2-NH1 3.34Å; W281-R288 HydrophobicContact CZ3-CG 3.9Å; W281-R288 VanDerWaalsContact CZ3-NH1 3.35Å; S286-R288 WeakPolarHBondContact OG-CG 3.21Å; R288-D294 IonicContact CZ-OD1 3.81Å; R288-D294 IonicContact CZ-OD2 3.94Å; R288-D294 IonicContact NH1-OD1 3.76Å; R288-D294 PolarHBondContact NH1-OD1 2.74Å; R288-D294 IonicContact NH1-OD2 2.78Å; R288-D294 PolarHBondContact NH1-OD2 2.9Å; R288-D294 IonicContact NH2-OD1 2.87Å; R288-D294 PolarHBondContact NH2-OD1 3.31Å
289	P	97.1	Very high	98	Very high	85 Å²	85	60.5 Å²	60.5	55%	0.552	33%	0.332	S	S	*	.	P	Polyproline II helix	trans	-70.9	155.4	172.3	31	-34.6	0	0	0	110.9
290	F	98.4	Very high	98.1	Very high	2 Å²	2	56.5 Å²	56.5	1%	0.009	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-88	133.9	167.8	-178	-78.5	0	0	0	110.3	Y270 Y273 R274 I277 Q278 W281 D294 L295	Y270-F290 HydrophobicContact CE2-CD1 4.16Å; Y270-F290 AromaticContact CE2-CE1 3.76Å; Y270-F290 HydrophobicContact CE2-CE1 3.76Å; Y273-F290 HydrophobicContact CD1-CE1 4.39Å; Y273-F290 HydrophobicContact CD1-CZ 4.33Å; Y273-F290 HydrophobicContact CE1-CD2 4.2Å; Y273-F290 HydrophobicContact CE1-CE1 4.03Å; Y273-F290 AromaticContact CE1-CE2 3.66Å; Y273-F290 HydrophobicContact CE1-CE2 3.66Å; Y273-F290 AromaticContact CE1-CZ 3.54Å; Y273-F290 HydrophobicContact CE1-CZ 3.54Å; R274-F290 HydrophobicContact CB-CB 4.36Å; R274-F290 HydrophobicContact CG-CB 4Å; R274-F290 HydrophobicContact CG-CD1 3.6Å; R274-F290 HydrophobicContact CG-CE1 4.48Å; R274-F290 HydrophobicContact CG-CG 4.09Å; I277-F290 HydrophobicContact CD1-CD2 3.81Å; I277-F290 HydrophobicContact CD1-CE2 3.85Å; I277-F290 HydrophobicContact CG2-CB 3.89Å; I277-F290 HydrophobicContact CG2-CD2 3.52Å; I277-F290 HydrophobicContact CG2-CE2 4.29Å; I277-F290 HydrophobicContact CG2-CG 3.86Å; Q278-F290 HydrophobicContact CG-CB 4.22Å; W281-F290 HydrophobicContact CH2-CB 4.17Å; W281-F290 AromaticContact CH2-CD2 3.5Å; W281-F290 HydrophobicContact CH2-CD2 3.5Å; W281-F290 HydrophobicContact CH2-CE2 4.34Å; W281-F290 HydrophobicContact CH2-CG 4.29Å; W281-F290 HydrophobicContact CZ2-CD2 4.17Å; W281-F290 HydrophobicContact CZ3-CB 3.96Å; W281-F290 HydrophobicContact CZ3-CD2 4.15Å; F290-D294 WeakPolarHBondContact CA-OD2 3.22Å; F290-D294 HydrophobicContact CD2-CB 3.74Å; F290-D294 HydrophobicContact CE2-CB 3.44Å; F290-D294 VanDerWaalsContact CE2-CB 3.44Å; F290-D294 HydrophobicContact CG-CB 4.41Å; F290-D294 HydrophobicContact CZ-CB 3.89Å; F290-L295 HydrophobicContact CE1-CD1 4.28Å; F290-L295 HydrophobicContact CE1-CG 4.24Å; F290-L295 HydrophobicContact CE2-CD2 4.49Å; F290-L295 HydrophobicContact CZ-CD1 4.08Å; F290-L295 HydrophobicContact CZ-CD2 3.73Å; F290-L295 HydrophobicContact CZ-CG 3.66Å
291	T	98.4	Very high	98.1	Very high	30 Å²	30	53.2 Å²	53.2	18%	0.184	30%	0.295	C	S	.	.			trans	-134.8	177.2	172.9	70.6	0	0	0	0	111.5	D293 D294 D319	T291-D293 PolarHBondContact O-N 3.33Å; T291-D293 VanDerWaalsContact O-N 3.1Å; T291-D293 WeakPolarHBondContact OG1-CB 3.18Å; T291-D293 PolarHBondContact OG1-N 2.84Å; T291-D294 PolarHBondContact N-OD2 3.04Å; T291-D294 VanDerWaalsContact N-OD2 3.12Å; T291-D294 WeakPolarHBondContact O-CB 3.31Å; T291-D294 PolarHBondContact O-N 3.18Å; T291-D319 WeakPolarHBondContact CA-OD2 3.47Å; T291-D319 WeakPolarHBondContact CB-OD2 3.47Å
292	L	98.3	Very high	98.1	Very high	2 Å²	2	51.6 Å²	51.6	1%	0.01	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-56.6	-18.8	170.2	-76.6	179.2	0	0	0	114	Y270 D294 L295 L312 L315 M316 D319 M363 K367	Y270-L292 PolarHBondContact OH-N 3.03Å; L292-D294 PolarHBondContact O-N 2.97Å; L292-L295 HydrophobicContact CD2-CD1 4.15Å; L292-L295 PolarHBondContact O-N 3.05Å; L292-L295 VanDerWaalsContact O-O 3.14Å; L292-L312 HydrophobicContact CD1-CD1 4.15Å; L292-L312 HydrophobicContact CD1-CG 4.44Å; L292-L312 HydrophobicContact CD2-CD1 3.89Å; L292-L315 HydrophobicContact CD1-CB 3.96Å; L292-L315 HydrophobicContact CD2-CB 3.83Å; L292-L315 HydrophobicContact CD2-CD1 3.86Å; L292-L315 HydrophobicContact CG-CB 4.09Å; L292-M316 HydrophobicContact CD1-CB 3.92Å; L292-D319 WeakPolarHBondContact CG-OD2 3.38Å; L292-D319 PolarHBondContact N-OD2 2.92Å; L292-M363 HydrophobicContact CB-SD 3.95Å; L292-M363 HydrophobicContact CD1-SD 3.88Å; L292-K367 PolarHBondContact O-NZ 2.72Å
293	D	97.9	Very high	98.1	Very high	92 Å²	92	46.1 Å²	46.1	49%	0.492	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-69.7	-22.8	175.4	-64.2	-35.1	0	0	0	112.3	T291 L295	T291-D293 PolarHBondContact O-N 3.33Å; T291-D293 VanDerWaalsContact O-N 3.1Å; T291-D293 WeakPolarHBondContact OG1-CB 3.18Å; T291-D293 PolarHBondContact OG1-N 2.84Å; D293-L295 PolarHBondContact O-N 3.08Å
294	D	98.6	Very high	98.1	Very high	20 Å²	20	39.6 Å²	39.6	11%	0.107	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-79	-3.9	175.5	-69.8	-62.8	0	0	0	114.5	W281 R288 F290 T291 L292 R406	W281-D294 HydrophobicContact CH2-CB 4.29Å; R288-D294 IonicContact CZ-OD1 3.81Å; R288-D294 IonicContact CZ-OD2 3.94Å; R288-D294 IonicContact NH1-OD1 3.76Å; R288-D294 PolarHBondContact NH1-OD1 2.74Å; R288-D294 IonicContact NH1-OD2 2.78Å; R288-D294 PolarHBondContact NH1-OD2 2.9Å; R288-D294 IonicContact NH2-OD1 2.87Å; R288-D294 PolarHBondContact NH2-OD1 3.31Å; F290-D294 WeakPolarHBondContact CA-OD2 3.22Å; F290-D294 HydrophobicContact CD2-CB 3.74Å; F290-D294 HydrophobicContact CE2-CB 3.44Å; F290-D294 VanDerWaalsContact CE2-CB 3.44Å; F290-D294 HydrophobicContact CG-CB 4.41Å; F290-D294 HydrophobicContact CZ-CB 3.89Å; T291-D294 PolarHBondContact N-OD2 3.04Å; T291-D294 VanDerWaalsContact N-OD2 3.12Å; T291-D294 WeakPolarHBondContact O-CB 3.31Å; T291-D294 PolarHBondContact O-N 3.18Å; L292-D294 PolarHBondContact O-N 2.97Å; D294-R406 WeakPolarHBondContact O-CD 3.21Å; D294-R406 PolarHBondContact O-NH1 2.87Å
295	L	98.7	Very high	98.3	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.207	C	C	.	.			trans	-111.5	117.1	175.5	-62.1	176.9	0	0	0	108.9	F290 L292 D293 Y297 M298 K367 R406 F420	F290-L295 HydrophobicContact CE1-CD1 4.28Å; F290-L295 HydrophobicContact CE1-CG 4.24Å; F290-L295 HydrophobicContact CE2-CD2 4.49Å; F290-L295 HydrophobicContact CZ-CD1 4.08Å; F290-L295 HydrophobicContact CZ-CD2 3.73Å; F290-L295 HydrophobicContact CZ-CG 3.66Å; L292-L295 HydrophobicContact CD2-CD1 4.15Å; L292-L295 PolarHBondContact O-N 3.05Å; L292-L295 VanDerWaalsContact O-O 3.14Å; D293-L295 PolarHBondContact O-N 3.08Å; L295-Y297 VanDerWaalsContact C-N 3.32Å; L295-M298 HydrophobicContact CD1-CB 4.49Å; L295-M298 HydrophobicContact CD1-SD 3.92Å; L295-K367 PolarHBondContact O-NZ 2.82Å; L295-R406 HydrophobicContact CD2-CB 4.46Å; L295-R406 HydrophobicContact CD2-CG 3.73Å; L295-F420 HydrophobicContact CD1-CZ 3.87Å
296	Q	98.8	Very high	98.3	Very high	82 Å²	82	35.4 Å²	35.4	38%	0.383	18%	0.184	S	C	.	.	S	Bend	trans	-73	-34.7	170.4	-76.2	66.2	52.8	0	0	110.1	K367 R406	Q296-K367 WeakPolarHBondContact O-CG 3.36Å; Q296-R406 PolarHBondContact N-O 2.86Å; Q296-R406 VanDerWaalsContact N-O 3.12Å
297	Y	98.9	Very high	98.3	Very high	20 Å²	20	33.6 Å²	33.6	8%	0.078	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	149.8	176.6	-53.2	-75.4	0	0	0	111.1	L295 K367 L393 H397 E401 L402 R406 I407 G408	L295-Y297 VanDerWaalsContact C-N 3.32Å; Y297-K367 CarbonylContact C-O 3.54Å; Y297-K367 WeakPolarHBondContact CA-O 3.4Å; Y297-L393 HydrophobicContact CD1-CD1 3.51Å; Y297-L393 HydrophobicContact CD1-CD2 4.47Å; Y297-L393 HydrophobicContact CD2-CD2 4.43Å; Y297-L393 HydrophobicContact CE1-CD1 4Å; Y297-L393 HydrophobicContact CG-CD1 3.9Å; Y297-L393 HydrophobicContact CG-CD2 4Å; Y297-H397 AromaticContact CE1-CD2 3.86Å; Y297-H397 AromaticContact CE1-CE1 3.93Å; Y297-H397 AromaticContact CE1-NE2 3.57Å; Y297-E401 PolarHBondContact OH-O 2.75Å; Y297-L402 HydrophobicContact CD2-CD2 4.11Å; Y297-L402 HydrophobicContact CE2-CD2 3.52Å; Y297-R406 PolarHBondContact N-O 3.33Å; Y297-I407 HydrophobicContact CD2-CG1 4.08Å; Y297-I407 WeakPolarHBondContact O-CA 3.32Å; Y297-G408 PolarHBondContact O-N 2.71Å
298	M	98.9	Very high	98.4	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	115.1	176.4	-179.1	64	-154.4	0	0	110	L295 F300 L312 L315 K367 T368 G408 F410 F420	L295-M298 HydrophobicContact CD1-CB 4.49Å; L295-M298 HydrophobicContact CD1-SD 3.92Å; M298-F300 HydrophobicContact CB-CE2 4.19Å; M298-F300 HydrophobicContact CE-CD1 3.87Å; M298-F300 HydrophobicContact CE-CD2 4.26Å; M298-F300 HydrophobicContact CE-CE1 3.5Å; M298-F300 HydrophobicContact CE-CE2 3.98Å; M298-F300 HydrophobicContact CE-CG 4.24Å; M298-F300 HydrophobicContact CE-CZ 3.58Å; M298-F300 HydrophobicContact CG-CD2 4.1Å; M298-F300 HydrophobicContact CG-CE1 4.3Å; M298-F300 HydrophobicContact CG-CE2 3.27Å; M298-F300 HydrophobicContact CG-CZ 3.38Å; M298-F300 HydrophobicContact SD-CZ 4.31Å; M298-L312 HydrophobicContact CB-CD1 4.07Å; M298-L312 HydrophobicContact CG-CD1 4.07Å; M298-L315 HydrophobicContact CE-CD1 4.21Å; M298-L315 HydrophobicContact CG-CD1 4.16Å; M298-L315 HydrophobicContact SD-CD1 4.29Å; M298-K367 PolarHBondContact N-O 2.95Å; M298-T368 WeakPolarHBondContact O-CB 3.13Å; M298-T368 WeakPolarHBondContact O-CG2 3.42Å; M298-T368 PolarHBondContact O-OG1 3Å; M298-G408 WeakPolarHBondContact CA-O 3.33Å; M298-F410 HydrophobicContact CE-CB 3.6Å; M298-F420 HydrophobicContact CE-CD2 3.97Å; M298-F420 HydrophobicContact CE-CE2 3.27Å; M298-F420 HydrophobicContact CE-CZ 3.73Å; M298-F420 HydrophobicContact SD-CE1 4.46Å; M298-F420 HydrophobicContact SD-CE2 3.58Å; M298-F420 VanDerWaalsContact SD-CE2 3.58Å; M298-F420 HydrophobicContact SD-CZ 3.41Å; M298-F420 WeakPolarHBondContact SD-CZ 3.49Å
299	I	98.9	Very high	98.5	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.005	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	149.2	179.5	61.4	167.6	0	0	0	111.2	L386 C389 L390 L393 I407 G408 A409 F410	I299-L386 HydrophobicContact CB-CD1 4.2Å; I299-L386 HydrophobicContact CD1-CD1 3.81Å; I299-L386 HydrophobicContact CD1-CG 4.49Å; I299-L386 HydrophobicContact CG1-CD1 3.76Å; I299-C389 HydrophobicContact CB-CB 4.3Å; I299-L390 HydrophobicContact CD1-CB 3.8Å; I299-L390 HydrophobicContact CD1-CD1 4.14Å; I299-L390 HydrophobicContact CD1-CG 4.48Å; I299-L393 HydrophobicContact CG2-CD2 4.16Å; I299-I407 HydrophobicContact CD1-CG2 4.23Å; I299-I407 HydrophobicContact CG1-CG2 4.08Å; I299-I407 HydrophobicContact CG2-CG2 4.4Å; I299-G408 WeakPolarHBondContact CG1-O 3.32Å; I299-G408 PolarHBondContact N-O 3.34Å; I299-A409 HydrophobicContact CD1-CB 4.15Å; I299-A409 HydrophobicContact CG1-CB 3.87Å; I299-A409 WeakPolarHBondContact O-CA 3.34Å; I299-F410 PolarHBondContact O-N 3.05Å
300	F	98.9	Very high	98.5	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	152.7	-173.2	-63.9	-98.1	0	0	0	110.9	L266 M298 T302 V308 L312 L315 T368 L386 F410	L266-F300 HydrophobicContact CD1-CE1 4.02Å; L266-F300 HydrophobicContact CD2-CE1 4.23Å; M298-F300 HydrophobicContact CB-CE2 4.19Å; M298-F300 HydrophobicContact CE-CD1 3.87Å; M298-F300 HydrophobicContact CE-CD2 4.26Å; M298-F300 HydrophobicContact CE-CE1 3.5Å; M298-F300 HydrophobicContact CE-CE2 3.98Å; M298-F300 HydrophobicContact CE-CG 4.24Å; M298-F300 HydrophobicContact CE-CZ 3.58Å; M298-F300 HydrophobicContact CG-CD2 4.1Å; M298-F300 HydrophobicContact CG-CE1 4.3Å; M298-F300 HydrophobicContact CG-CE2 3.27Å; M298-F300 HydrophobicContact CG-CZ 3.38Å; M298-F300 HydrophobicContact SD-CZ 4.31Å; F300-T302 PolarHBondContact O-N 2.55Å; F300-T302 PolarHBondContact O-OG1 2.91Å; F300-T302 VanDerWaalsContact O-OG1 3.07Å; F300-V308 HydrophobicContact CB-CG1 4.04Å; F300-V308 HydrophobicContact CB-CG2 4.02Å; F300-V308 HydrophobicContact CD2-CG1 3.44Å; F300-V308 VanDerWaalsContact CD2-CG1 3.44Å; F300-V308 HydrophobicContact CE2-CG1 4.07Å; F300-V308 HydrophobicContact CG-CG1 3.95Å; F300-L312 HydrophobicContact CE2-CB 4.31Å; F300-L312 HydrophobicContact CE2-CD1 4.29Å; F300-L312 HydrophobicContact CZ-CB 4.29Å; F300-L312 HydrophobicContact CZ-CD1 4.26Å; F300-L315 HydrophobicContact CE1-CD1 4.03Å; F300-L315 HydrophobicContact CZ-CD1 3.72Å; F300-T368 HydrophobicContact CD2-CG2 4.05Å; F300-T368 HydrophobicContact CE2-CG2 4.06Å; F300-L386 VanDerWaalsContact C-CD1 3.49Å; F300-F410 CarbonylContact C-O 3.57Å; F300-F410 WeakPolarHBondContact CA-O 3.28Å; F300-F410 HydrophobicContact CD1-CB 3.76Å; F300-F410 AromaticContact CD1-CD1 3.96Å; F300-F410 HydrophobicContact CD1-CD1 3.96Å; F300-F410 HydrophobicContact CD1-CG 4.26Å; F300-F410 HydrophobicContact CE1-CB 4.23Å
301	H	98.9	Very high	98.5	Very high	7 Å²	7	22.5 Å²	22.5	3%	0.032	11%	0.111	C	C	.	.			trans	-54.5	124.1	154.3	170.6	57.2	0	0	0	108.2	Y262 P303 F410	Y262-H301 AromaticContact CE2-CD2 3.88Å; Y262-H301 PolarHBondContact OH-O 3.1Å; H301-P303 VanDerWaalsContact O-CD 3.27Å; H301-P303 WeakPolarHBondContact O-CD 3.3Å; H301-F410 PolarHBondContact N-O 3.09Å
302	T	98.8	Very high	98.5	Very high	1 Å²	1	21 Å²	21	1%	0.006	10%	0.102	C	C	.	.			trans	-115.6	91.6	-172.1	-56.7	0	0	0	0	110.2	F300 F304 V308 L372 S375 S385 C389	F300-T302 PolarHBondContact O-N 2.55Å; F300-T302 PolarHBondContact O-OG1 2.91Å; F300-T302 VanDerWaalsContact O-OG1 3.07Å; T302-F304 VanDerWaalsContact C-N 3.31Å; T302-V308 HydrophobicContact CG2-CG2 3.7Å; T302-V308 WeakPolarHBondContact OG1-CG2 3.46Å; T302-L372 HydrophobicContact CG2-CD2 3.94Å; T302-S375 VanDerWaalsContact CG2-CB 3.45Å; T302-S385 WeakPolarHBondContact CA-OG 3.47Å; T302-S385 PolarHBondContact N-OG 2.99Å; T302-S385 PolarHBondContact O-OG 2.88Å; T302-C389 PolarHBondContact OG1-SG 3.43Å
303	P	98	Very high	98.5	Very high	22 Å²	22	21.1 Å²	21.1	14%	0.143	10%	0.103	C	C	.	.	S	Bend	trans	-70.3	-32.5	169.8	28	-33.5	0	0	0	111.5	H301 M307	H301-P303 VanDerWaalsContact O-CD 3.27Å; H301-P303 WeakPolarHBondContact O-CD 3.3Å; P303-M307 HydrophobicContact CG-CB 4.02Å; P303-M307 HydrophobicContact CG-CG 3.95Å
304	F	98.6	Very high	98.5	Very high	36 Å²	36	17.1 Å²	17.1	16%	0.158	8%	0.081	C	C	.	.	S	Bend	trans	-164.7	153.9	168.6	52.2	-88.1	0	0	0	109	L88 Q90 T208 T302 K306 M307	L88-F304 HydrophobicContact CB-CB 4.23Å; L88-F304 HydrophobicContact CB-CD2 4.37Å; L88-F304 HydrophobicContact CB-CG 4.49Å; L88-F304 HydrophobicContact CD2-CD2 4.11Å; L88-F304 HydrophobicContact CD2-CE2 4.34Å; L88-F304 HydrophobicContact CD2-CG 4.25Å; Q90-F304 HydrophobicContact CG-CB 4.12Å; T208-F304 HydrophobicContact CG2-CB 4.35Å; T208-F304 HydrophobicContact CG2-CD1 4Å; T208-F304 HydrophobicContact CG2-CG 4.44Å; T302-F304 VanDerWaalsContact C-N 3.31Å; F304-K306 VanDerWaalsContact C-N 3.35Å; F304-K306 HydrophobicContact CD2-CB 3.88Å; F304-K306 HydrophobicContact CE2-CB 4Å; F304-K306 PolarHBondContact O-N 3.22Å; F304-M307 HydrophobicContact CD1-CB 4.46Å; F304-M307 HydrophobicContact CD2-CB 3.93Å; F304-M307 HydrophobicContact CE1-CB 4.18Å; F304-M307 HydrophobicContact CE2-CB 3.64Å; F304-M307 HydrophobicContact CG-CB 4.33Å; F304-M307 HydrophobicContact CZ-CB 3.77Å; F304-M307 HydrophobicContact CZ-CG 4.42Å; F304-M307 HydrophobicContact CZ-SD 4.41Å; F304-M307 VanDerWaalsContact O-CB 3.31Å; F304-M307 WeakPolarHBondContact O-CB 3.35Å; F304-M307 PolarHBondContact O-N 3.12Å; F304-M307 VanDerWaalsContact O-N 3.08Å
305	C	98.8	Very high	98.5	Very high	12 Å²	12	16.2 Å²	16.2	8%	0.081	8%	0.076	C	C	.	.	H	α-helix	trans	-63.1	-34.5	-168.7	-63.5	0	0	0	0	114.3	L88 G89 Q90 M307 V308 Q309 L372	L88-C305 PolarHBondContact O-N 3.47Å; G89-C305 VanDerWaalsContact O-CB 3.23Å; G89-C305 WeakPolarHBondContact O-CB 3.18Å; G89-C305 PolarHBondContact O-SG 3.03Å; G89-C305 VanDerWaalsContact O-SG 3.35Å; Q90-C305 PolarHBondContact OE1-SG 2.94Å; C305-M307 PolarHBondContact O-N 2.87Å; C305-V308 PolarHBondContact O-N 3.29Å; C305-V308 VanDerWaalsContact O-N 3.12Å; C305-Q309 PolarHBondContact O-N 3.16Å; C305-Q309 VanDerWaalsContact O-N 3.13Å; C305-L372 HydrophobicContact CB-CD1 4.16Å
306	K	98.1	Very high	98.4	Very high	54 Å²	54	16.6 Å²	16.6	24%	0.235	8%	0.078	C	C	.	.	H	α-helix	trans	-61.2	-34.4	176.5	-175	61.9	59.5	-176.5	0	112.1	V86 G87 L88 F304 V308 Q309 K310	V86-K306 WeakPolarHBondContact O-CE 3.42Å; G87-K306 VanDerWaalsContact O-CB 3.25Å; G87-K306 WeakPolarHBondContact O-CB 3.5Å; G87-K306 WeakPolarHBondContact O-CG 3.37Å; L88-K306 WeakPolarHBondContact O-CB 3.35Å; L88-K306 PolarHBondContact O-N 3.07Å; F304-K306 VanDerWaalsContact C-N 3.35Å; F304-K306 HydrophobicContact CD2-CB 3.88Å; F304-K306 HydrophobicContact CE2-CB 4Å; F304-K306 PolarHBondContact O-N 3.22Å; K306-V308 VanDerWaalsContact C-N 3.28Å; K306-V308 PolarHBondContact O-N 2.93Å; K306-Q309 PolarHBondContact O-N 2.74Å; K306-K310 WeakPolarHBondContact O-CG 3.39Å; K306-K310 PolarHBondContact O-N 2.75Å; K306-K310 VanDerWaalsContact O-N 3.12Å
307	M	98.1	Very high	98.3	Very high	3 Å²	3	12.7 Å²	12.7	2%	0.015	6%	0.06	C	C	.	.	H	α-helix	trans	-61.5	-40.4	176.6	-170.1	57.8	-159.3	0	0	111.1	I259 Y262 L263 P303 F304 C305 K310 S311	I259-M307 HydrophobicContact CG1-SD 4.39Å; I259-M307 HydrophobicContact CG2-CE 4.22Å; I259-M307 HydrophobicContact CG2-SD 4.16Å; Y262-M307 HydrophobicContact CD1-CE 3.26Å; Y262-M307 HydrophobicContact CD2-CE 4.39Å; Y262-M307 HydrophobicContact CE1-CE 3.85Å; Y262-M307 HydrophobicContact CG-CE 3.6Å; L263-M307 HydrophobicContact CD2-CE 3.61Å; L263-M307 HydrophobicContact CG-CE 3.76Å; P303-M307 HydrophobicContact CG-CB 4.02Å; P303-M307 HydrophobicContact CG-CG 3.95Å; F304-M307 HydrophobicContact CD1-CB 4.46Å; F304-M307 HydrophobicContact CD2-CB 3.93Å; F304-M307 HydrophobicContact CE1-CB 4.18Å; F304-M307 HydrophobicContact CE2-CB 3.64Å; F304-M307 HydrophobicContact CG-CB 4.33Å; F304-M307 HydrophobicContact CZ-CB 3.77Å; F304-M307 HydrophobicContact CZ-CG 4.42Å; F304-M307 HydrophobicContact CZ-SD 4.41Å; F304-M307 VanDerWaalsContact O-CB 3.31Å; F304-M307 WeakPolarHBondContact O-CB 3.35Å; F304-M307 PolarHBondContact O-N 3.12Å; F304-M307 VanDerWaalsContact O-N 3.08Å; C305-M307 PolarHBondContact O-N 2.87Å; M307-K310 PolarHBondContact O-N 2.82Å; M307-S311 WeakPolarHBondContact O-CB 3.32Å; M307-S311 PolarHBondContact O-N 3.49Å; M307-S311 PolarHBondContact O-OG 3.41Å
308	V	98.7	Very high	98.3	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-70.7	-39.5	-179.4	179.4	0	0	0	0	111.8	F300 T302 C305 K306 K310 S311 L312 T368 L372	F300-V308 HydrophobicContact CB-CG1 4.04Å; F300-V308 HydrophobicContact CB-CG2 4.02Å; F300-V308 HydrophobicContact CD2-CG1 3.44Å; F300-V308 VanDerWaalsContact CD2-CG1 3.44Å; F300-V308 HydrophobicContact CE2-CG1 4.07Å; F300-V308 HydrophobicContact CG-CG1 3.95Å; T302-V308 HydrophobicContact CG2-CG2 3.7Å; T302-V308 WeakPolarHBondContact OG1-CG2 3.46Å; C305-V308 PolarHBondContact O-N 3.29Å; C305-V308 VanDerWaalsContact O-N 3.12Å; K306-V308 VanDerWaalsContact C-N 3.28Å; K306-V308 PolarHBondContact O-N 2.93Å; V308-K310 VanDerWaalsContact C-N 3.3Å; V308-K310 PolarHBondContact O-N 3.21Å; V308-S311 WeakPolarHBondContact O-CB 3.49Å; V308-S311 PolarHBondContact O-N 2.79Å; V308-L312 PolarHBondContact O-N 3.29Å; V308-T368 HydrophobicContact CG1-CG2 3.43Å; V308-T368 VanDerWaalsContact CG1-CG2 3.43Å; V308-L372 HydrophobicContact CB-CD1 4.33Å; V308-L372 HydrophobicContact CB-CD2 3.93Å; V308-L372 HydrophobicContact CG1-CD1 4.33Å; V308-L372 HydrophobicContact CG1-CD2 3.88Å; V308-L372 HydrophobicContact CG2-CD2 3.93Å
309	Q	98.4	Very high	98.2	Very high	27 Å²	27	12.1 Å²	12.1	13%	0.126	6%	0.058	C	C	.	.	H	α-helix	trans	-58.2	-44.4	173.6	-160.4	-172.6	6.2	0	0	111.2	C305 K306 S311 A313 L357 Q361 F364	C305-Q309 PolarHBondContact O-N 3.16Å; C305-Q309 VanDerWaalsContact O-N 3.13Å; K306-Q309 PolarHBondContact O-N 2.74Å; Q309-S311 VanDerWaalsContact C-N 3.32Å; Q309-S311 PolarHBondContact O-N 2.85Å; Q309-A313 WeakPolarHBondContact O-CB 3.27Å; Q309-A313 PolarHBondContact O-N 3.02Å; Q309-L357 HydrophobicContact CB-CD2 4.14Å; Q309-L357 HydrophobicContact CG-CD2 3.59Å; Q309-Q361 VanDerWaalsContact NE2-OE1 3.15Å; Q309-F364 HydrophobicContact CB-CD2 4.25Å; Q309-F364 HydrophobicContact CB-CE2 3.79Å; Q309-F364 HydrophobicContact CB-CZ 3.96Å; Q309-F364 HydrophobicContact CG-CD1 4.14Å; Q309-F364 HydrophobicContact CG-CD2 3.96Å; Q309-F364 HydrophobicContact CG-CE1 4.06Å; Q309-F364 HydrophobicContact CG-CE2 3.88Å; Q309-F364 HydrophobicContact CG-CG 4.08Å; Q309-F364 HydrophobicContact CG-CZ 3.92Å
310	K	97.8	Very high	98	Very high	63 Å²	63	12.1 Å²	12.1	27%	0.274	6%	0.058	S	C	.	.	H	α-helix	trans	-64.9	-34.7	173.4	-68.9	-171.1	177.3	-151.3	0	112.9	K306 M307 V308 A313 R314 D353 L357	K306-K310 WeakPolarHBondContact O-CG 3.39Å; K306-K310 PolarHBondContact O-N 2.75Å; K306-K310 VanDerWaalsContact O-N 3.12Å; M307-K310 PolarHBondContact O-N 2.82Å; V308-K310 VanDerWaalsContact C-N 3.3Å; V308-K310 PolarHBondContact O-N 3.21Å; K310-A313 WeakPolarHBondContact O-CB 3.33Å; K310-A313 PolarHBondContact O-N 3.09Å; K310-R314 WeakPolarHBondContact O-CB 3.4Å; K310-R314 PolarHBondContact O-N 3.34Å; K310-D353 WeakPolarHBondContact CE-OD2 3.42Å; K310-D353 IonicContact NZ-OD2 3.14Å; K310-D353 PolarHBondContact NZ-OD2 2.93Å; K310-L357 HydrophobicContact CG-CD2 4.36Å
311	S	98.6	Very high	97.8	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-68.5	-43	-178	-60.5	0	0	0	0	112.1	Y262 L266 M307 V308 Q309 A313 R314 L315	Y262-S311 WeakPolarHBondContact CE1-OG 3.32Å; L266-S311 WeakPolarHBondContact CD2-O 3.37Å; M307-S311 WeakPolarHBondContact O-CB 3.32Å; M307-S311 PolarHBondContact O-N 3.49Å; M307-S311 PolarHBondContact O-OG 3.41Å; V308-S311 WeakPolarHBondContact O-CB 3.49Å; V308-S311 PolarHBondContact O-N 2.79Å; Q309-S311 VanDerWaalsContact C-N 3.32Å; Q309-S311 PolarHBondContact O-N 2.85Å; S311-A313 VanDerWaalsContact C-N 3.35Å; S311-R314 WeakPolarHBondContact O-CB 3.44Å; S311-R314 PolarHBondContact O-N 3.37Å; S311-L315 PolarHBondContact O-N 3.26Å
312	L	98.8	Very high	97.6	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-65.3	-41.4	173.2	-169.9	74.6	0	0	0	111.5	L292 M298 F300 V308 R314 L315 M316 M363 F364	L292-L312 HydrophobicContact CD1-CD1 4.15Å; L292-L312 HydrophobicContact CD1-CG 4.44Å; L292-L312 HydrophobicContact CD2-CD1 3.89Å; M298-L312 HydrophobicContact CB-CD1 4.07Å; M298-L312 HydrophobicContact CG-CD1 4.07Å; F300-L312 HydrophobicContact CE2-CB 4.31Å; F300-L312 HydrophobicContact CE2-CD1 4.29Å; F300-L312 HydrophobicContact CZ-CB 4.29Å; F300-L312 HydrophobicContact CZ-CD1 4.26Å; V308-L312 PolarHBondContact O-N 3.29Å; L312-R314 PolarHBondContact O-N 3.06Å; L312-L315 WeakPolarHBondContact O-CB 3.45Å; L312-L315 PolarHBondContact O-N 3.01Å; L312-L315 VanDerWaalsContact O-N 3.11Å; L312-M316 PolarHBondContact O-N 3.05Å; L312-M363 HydrophobicContact CD2-CB 4.16Å; L312-F364 HydrophobicContact CD2-CB 3.71Å; L312-F364 HydrophobicContact CD2-CD2 4.18Å; L312-F364 HydrophobicContact CD2-CG 4.46Å
313	A	97.8	Very high	97.3	Very high	3 Å²	3	18.5 Å²	18.5	3%	0.025	10%	0.101	C	C	.	.	H	α-helix	trans	-58.8	-35.9	174.7	0	0	0	0	0	111.7	Q309 K310 S311 M316 F317 L356 L357 S360	Q309-A313 WeakPolarHBondContact O-CB 3.27Å; Q309-A313 PolarHBondContact O-N 3.02Å; K310-A313 WeakPolarHBondContact O-CB 3.33Å; K310-A313 PolarHBondContact O-N 3.09Å; S311-A313 VanDerWaalsContact C-N 3.35Å; A313-M316 WeakPolarHBondContact O-CB 3.34Å; A313-M316 PolarHBondContact O-N 3.4Å; A313-F317 PolarHBondContact O-N 3.12Å; A313-L356 HydrophobicContact CB-CB 3.86Å; A313-L357 HydrophobicContact CB-CD2 4.23Å; A313-S360 WeakPolarHBondContact CA-OG 3.36Å; A313-S360 WeakPolarHBondContact CB-OG 3.23Å
314	R	98	Very high	97	Very high	9 Å²	9	20.6 Å²	20.6	3%	0.034	12%	0.116	C	C	.	.	H	α-helix	trans	-67.8	-37.9	174.4	-176.8	58.5	169.5	-149.8	4.4	113.3	L263 L266 D267 K310 S311 L312 F317 N318 L343 T346	L263-R314 HydrophobicContact CD2-CB 4.19Å; L263-R314 HydrophobicContact CD2-CG 4.18Å; L266-R314 HydrophobicContact CD2-CB 4.28Å; L266-R314 HydrophobicContact CD2-CG 4.32Å; D267-R314 WeakPolarHBondContact OD1-CG 3.49Å; D267-R314 IonicContact OD1-CZ 2.72Å; D267-R314 IonicContact OD1-NE 2.68Å; D267-R314 PolarHBondContact OD1-NE 2.8Å; D267-R314 IonicContact OD1-NH2 3.72Å; D267-R314 IonicContact OD2-CZ 2.88Å; D267-R314 IonicContact OD2-NE 3.81Å; D267-R314 PolarHBondContact OD2-NE 3.44Å; D267-R314 IonicContact OD2-NH2 3.64Å; D267-R314 PolarHBondContact OD2-NH2 3.36Å; K310-R314 WeakPolarHBondContact O-CB 3.4Å; K310-R314 PolarHBondContact O-N 3.34Å; S311-R314 WeakPolarHBondContact O-CB 3.44Å; S311-R314 PolarHBondContact O-N 3.37Å; L312-R314 PolarHBondContact O-N 3.06Å; R314-F317 WeakPolarHBondContact O-CB 3.47Å; R314-F317 PolarHBondContact O-N 2.68Å; R314-N318 PolarHBondContact O-N 3.34Å; R314-N318 PolarHBondContact O-ND2 2.94Å; R314-L343 VanDerWaalsContact NH2-C 3.26Å; R314-L343 VanDerWaalsContact NH2-CA 3.31Å; R314-L343 VanDerWaalsContact NH2-CB 3.27Å; R314-L343 PolarHBondContact NH2-O 3.38Å; R314-T346 PolarHBondContact NH1-OG1 2.88Å
315	L	98.4	Very high	96.4	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-63.9	-42.3	172.9	-67.1	-176.8	0	0	0	111.3	L266 Y270 L292 M298 F300 S311 L312 F317 N318 D319 F420	L266-L315 HydrophobicContact CD1-CD2 3.76Å; L266-L315 HydrophobicContact CD1-CG 4.32Å; L266-L315 HydrophobicContact CD2-CD2 4.15Å; L266-L315 HydrophobicContact CD2-CG 4.25Å; L266-L315 HydrophobicContact CG-CD2 3.8Å; L266-L315 HydrophobicContact CG-CG 4.41Å; Y270-L315 HydrophobicContact CD1-CD2 3.68Å; Y270-L315 HydrophobicContact CD2-CD2 3.7Å; Y270-L315 HydrophobicContact CE1-CD2 4.16Å; Y270-L315 HydrophobicContact CE2-CD2 4.17Å; Y270-L315 HydrophobicContact CG-CD2 3.43Å; Y270-L315 VanDerWaalsContact CG-CD2 3.43Å; L292-L315 HydrophobicContact CD1-CB 3.96Å; L292-L315 HydrophobicContact CD2-CB 3.83Å; L292-L315 HydrophobicContact CD2-CD1 3.86Å; L292-L315 HydrophobicContact CG-CB 4.09Å; M298-L315 HydrophobicContact CE-CD1 4.21Å; M298-L315 HydrophobicContact CG-CD1 4.16Å; M298-L315 HydrophobicContact SD-CD1 4.29Å; F300-L315 HydrophobicContact CE1-CD1 4.03Å; F300-L315 HydrophobicContact CZ-CD1 3.72Å; S311-L315 PolarHBondContact O-N 3.26Å; L312-L315 WeakPolarHBondContact O-CB 3.45Å; L312-L315 PolarHBondContact O-N 3.01Å; L312-L315 VanDerWaalsContact O-N 3.11Å; L315-F317 PolarHBondContact O-N 3.48Å; L315-N318 WeakPolarHBondContact O-CB 3.38Å; L315-N318 PolarHBondContact O-N 2.83Å; L315-D319 PolarHBondContact O-N 2.81Å; L315-F420 HydrophobicContact CD1-CE2 3.99Å
316	M	97.3	Very high	95.9	Very high	9 Å²	9	27.6 Å²	27.6	4%	0.044	16%	0.16	C	C	.	.	H	α-helix	trans	-59.8	-37.5	174.1	-173.2	-179.8	-177.5	0	0	111.6	L292 L312 A313 D319 F320 Y332 A359 S360 M363	L292-M316 HydrophobicContact CD1-CB 3.92Å; L312-M316 PolarHBondContact O-N 3.05Å; A313-M316 WeakPolarHBondContact O-CB 3.34Å; A313-M316 PolarHBondContact O-N 3.4Å; M316-D319 PolarHBondContact O-N 2.89Å; M316-F320 WeakPolarHBondContact O-CB 3.48Å; M316-F320 PolarHBondContact O-N 2.84Å; M316-Y332 HydrophobicContact CE-CD1 3.66Å; M316-Y332 HydrophobicContact CE-CE1 3.87Å; M316-Y332 HydrophobicContact CG-CD1 4.22Å; M316-Y332 HydrophobicContact CG-CE1 3.81Å; M316-A359 HydrophobicContact CE-CB 3.74Å; M316-A359 VanDerWaalsContact SD-C 3.59Å; M316-A359 HydrophobicContact SD-CB 3.92Å; M316-S360 VanDerWaalsContact SD-CA 3.56Å; M316-S360 VanDerWaalsContact SD-CB 3.59Å; M316-M363 HydrophobicContact CE-CE 4.1Å; M316-M363 HydrophobicContact CG-CE 4.5Å; M316-M363 HydrophobicContact SD-CE 4.24Å
317	F	96.6	Very high	95.4	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-66.8	-37.5	174.4	-168.3	-129	0	0	0	113	A313 R314 L315 D319 F320 L321 F338 L343 T346 L352 L356	A313-F317 PolarHBondContact O-N 3.12Å; R314-F317 WeakPolarHBondContact O-CB 3.47Å; R314-F317 PolarHBondContact O-N 2.68Å; L315-F317 PolarHBondContact O-N 3.48Å; F317-D319 VanDerWaalsContact C-N 3.33Å; F317-F320 AromaticContact CD2-CD1 3.78Å; F317-F320 HydrophobicContact CD2-CD1 3.78Å; F317-F320 AromaticContact CE2-CD1 3.72Å; F317-F320 HydrophobicContact CE2-CD1 3.72Å; F317-F320 HydrophobicContact CE2-CE1 4.05Å; F317-F320 PolarHBondContact O-N 3.38Å; F317-L321 HydrophobicContact CD1-CD1 4.1Å; F317-L321 HydrophobicContact CD2-CG 4.35Å; F317-L321 HydrophobicContact CE1-CD1 3.63Å; F317-L321 HydrophobicContact CE1-CG 4.24Å; F317-L321 HydrophobicContact CE2-CD1 4.29Å; F317-L321 HydrophobicContact CE2-CD2 4.05Å; F317-L321 HydrophobicContact CE2-CG 4.01Å; F317-L321 HydrophobicContact CZ-CD1 3.73Å; F317-L321 HydrophobicContact CZ-CD2 4.01Å; F317-L321 HydrophobicContact CZ-CG 3.95Å; F317-L321 WeakPolarHBondContact O-CG 3.35Å; F317-L321 PolarHBondContact O-N 3.04Å; F317-F338 HydrophobicContact CE2-CB 4.14Å; F317-F338 HydrophobicContact CZ-CB 4.5Å; F317-L343 HydrophobicContact CD1-CD2 3.67Å; F317-L343 HydrophobicContact CE1-CD2 3.92Å; F317-T346 HydrophobicContact CE1-CG2 4.06Å; F317-T346 HydrophobicContact CZ-CG2 4.35Å; F317-L352 HydrophobicContact CD1-CD2 4.24Å; F317-L352 HydrophobicContact CD2-CD1 4.12Å; F317-L352 HydrophobicContact CE1-CD2 3.87Å; F317-L352 HydrophobicContact CE2-CD1 3.86Å; F317-L352 HydrophobicContact CE2-CD2 4.45Å; F317-L352 HydrophobicContact CZ-CD1 4.17Å; F317-L352 HydrophobicContact CZ-CD2 3.99Å; F317-L356 HydrophobicContact CB-CD1 3.67Å; F317-L356 HydrophobicContact CB-CD2 3.68Å; F317-L356 HydrophobicContact CB-CG 4.34Å; F317-L356 HydrophobicContact CD1-CD1 4.44Å; F317-L356 HydrophobicContact CD2-CD1 4.31Å; F317-L356 HydrophobicContact CD2-CD2 3.88Å; F317-L356 HydrophobicContact CG-CD1 3.9Å; F317-L356 HydrophobicContact CG-CD2 4.07Å
318	N	97.4	Very high	94.8	Very high	3 Å²	3	28 Å²	28	2%	0.016	17%	0.166	C	C	.	.	H	α-helix	trans	-61.7	-42.4	172.4	-87.3	-99.5	0	0	0	111.6	D267 Y270 R314 L315 L321 S322	D267-N318 PolarHBondContact OD1-ND2 3.48Å; Y270-N318 HydrophobicContact CD1-CB 3.79Å; Y270-N318 HydrophobicContact CE1-CB 3.92Å; R314-N318 PolarHBondContact O-N 3.34Å; R314-N318 PolarHBondContact O-ND2 2.94Å; L315-N318 WeakPolarHBondContact O-CB 3.38Å; L315-N318 PolarHBondContact O-N 2.83Å; N318-L321 PolarHBondContact O-N 3.16Å; N318-S322 WeakPolarHBondContact O-CB 3.41Å; N318-S322 PolarHBondContact O-N 2.75Å; N318-S322 PolarHBondContact O-OG 3.5Å
319	D	96.9	Very high	94.1	Very high	5 Å²	5	31.5 Å²	31.5	3%	0.027	19%	0.187	C	C	.	.	H	α-helix	trans	-63.7	-46	176.3	-68.9	-16.1	0	0	0	110.9	Y270 R274 T291 L292 L315 M316 F317 L321 S322 A323 Y332	Y270-D319 VanDerWaalsContact CE1-OD1 3.22Å; Y270-D319 WeakPolarHBondContact CE1-OD1 3.37Å; Y270-D319 PolarHBondContact OH-OD1 3.5Å; Y270-D319 PolarHBondContact OH-OD2 3.41Å; R274-D319 IonicContact NH1-OD1 3.78Å; T291-D319 WeakPolarHBondContact CA-OD2 3.47Å; T291-D319 WeakPolarHBondContact CB-OD2 3.47Å; L292-D319 WeakPolarHBondContact CG-OD2 3.38Å; L292-D319 PolarHBondContact N-OD2 2.92Å; L315-D319 PolarHBondContact O-N 2.81Å; M316-D319 PolarHBondContact O-N 2.89Å; F317-D319 VanDerWaalsContact C-N 3.33Å; D319-L321 PolarHBondContact O-N 3.07Å; D319-S322 CarbonylContact O-C 3.34Å; D319-S322 PolarHBondContact O-N 3.08Å; D319-A323 VanDerWaalsContact O-CB 3.31Å; D319-A323 WeakPolarHBondContact O-CB 3.13Å; D319-A323 PolarHBondContact O-N 3.17Å; D319-Y332 VanDerWaalsContact CB-OH 3.27Å; D319-Y332 WeakPolarHBondContact CB-OH 3.22Å
320	F	95.9	Very high	93.5	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-54.8	-52.1	174.3	167.6	-109.3	0	0	0	112.1	M316 F317 S322 A323 Q328 Y332 L335 R339	M316-F320 WeakPolarHBondContact O-CB 3.48Å; M316-F320 PolarHBondContact O-N 2.84Å; F317-F320 AromaticContact CD2-CD1 3.78Å; F317-F320 HydrophobicContact CD2-CD1 3.78Å; F317-F320 AromaticContact CE2-CD1 3.72Å; F317-F320 HydrophobicContact CE2-CD1 3.72Å; F317-F320 HydrophobicContact CE2-CE1 4.05Å; F317-F320 PolarHBondContact O-N 3.38Å; F320-S322 PolarHBondContact O-N 3.28Å; F320-A323 PolarHBondContact O-N 3.03Å; F320-Q328 HydrophobicContact CD2-CB 4.15Å; F320-Q328 HydrophobicContact CD2-CG 3.77Å; F320-Q328 HydrophobicContact CE2-CB 3.8Å; F320-Q328 HydrophobicContact CE2-CG 3.73Å; F320-Q328 WeakPolarHBondContact O-CG 3.38Å; F320-Q328 PolarHBondContact O-NE2 2.92Å; F320-Y332 HydrophobicContact CB-CD1 3.94Å; F320-Y332 HydrophobicContact CB-CD2 4.3Å; F320-Y332 HydrophobicContact CB-CE1 4.21Å; F320-Y332 HydrophobicContact CB-CG 3.99Å; F320-Y332 VanDerWaalsContact CD2-CB 3.44Å; F320-Y332 HydrophobicContact CD2-CD1 4.42Å; F320-Y332 AromaticContact CD2-CD2 3.98Å; F320-Y332 HydrophobicContact CD2-CD2 3.98Å; F320-Y332 AromaticContact CD2-CG 3.71Å; F320-Y332 HydrophobicContact CD2-CG 3.71Å; F320-Y332 HydrophobicContact CG-CG 4.3Å; F320-L335 HydrophobicContact CB-CD1 4.42Å; F320-L335 HydrophobicContact CD1-CB 4.4Å; F320-L335 HydrophobicContact CD2-CB 4.25Å; F320-L335 HydrophobicContact CE1-CB 4.24Å; F320-L335 HydrophobicContact CE2-CB 4.07Å; F320-L335 HydrophobicContact CG-CB 4.4Å; F320-L335 HydrophobicContact CG-CD1 4.36Å; F320-L335 HydrophobicContact CZ-CB 4.06Å; F320-L335 VanDerWaalsContact CZ-O 3.22Å; F320-L335 WeakPolarHBondContact CZ-O 3.44Å; F320-R339 HydrophobicContact CE1-CB 4.4Å; F320-R339 HydrophobicContact CZ-CB 4.02Å; F320-R339 HydrophobicContact CZ-CG 4.39Å
321	L	94.6	Very high	92.8	Very high	48 Å²	48	35.8 Å²	35.8	25%	0.251	22%	0.219	S	C	.	.	H	α-helix	trans	-66.9	-23.2	-179.2	-68.8	-176.9	0	0	0	113.4	F317 N318 D319 L343	F317-L321 HydrophobicContact CD1-CD1 4.1Å; F317-L321 HydrophobicContact CD2-CG 4.35Å; F317-L321 HydrophobicContact CE1-CD1 3.63Å; F317-L321 HydrophobicContact CE1-CG 4.24Å; F317-L321 HydrophobicContact CE2-CD1 4.29Å; F317-L321 HydrophobicContact CE2-CD2 4.05Å; F317-L321 HydrophobicContact CE2-CG 4.01Å; F317-L321 HydrophobicContact CZ-CD1 3.73Å; F317-L321 HydrophobicContact CZ-CD2 4.01Å; F317-L321 HydrophobicContact CZ-CG 3.95Å; F317-L321 WeakPolarHBondContact O-CG 3.35Å; F317-L321 PolarHBondContact O-N 3.04Å; N318-L321 PolarHBondContact O-N 3.16Å; D319-L321 PolarHBondContact O-N 3.07Å; L321-L343 HydrophobicContact CD1-CD2 3.8Å; L321-L343 HydrophobicContact CD1-CG 3.93Å
322	S	94.1	Very high	92.3	Very high	70 Å²	70	36.3 Å²	36.3	49%	0.49	22%	0.221	S	C	.	.	H	α-helix	trans	-93.3	-10.7	178.8	-49.9	0	0	0	0	113.3	R274 N318 D319 F320	R274-S322 VanDerWaalsContact NH1-CB 3.29Å; R274-S322 PolarHBondContact NH1-OG 3.43Å; R274-S322 PolarHBondContact NH2-OG 3Å; R274-S322 VanDerWaalsContact NH2-OG 3.09Å; N318-S322 WeakPolarHBondContact O-CB 3.41Å; N318-S322 PolarHBondContact O-N 2.75Å; N318-S322 PolarHBondContact O-OG 3.5Å; D319-S322 CarbonylContact O-C 3.34Å; D319-S322 PolarHBondContact O-N 3.08Å; F320-S322 PolarHBondContact O-N 3.28Å
323	A	93.5	Very high	91.6	Very high	25 Å²	25	43.9 Å²	43.9	21%	0.207	25%	0.254	C	S	.	.	S	Bend	trans	-76.2	155.7	-177.6	0	0	0	0	0	112	D319 F320 T327 Q328 Y332	D319-A323 VanDerWaalsContact O-CB 3.31Å; D319-A323 WeakPolarHBondContact O-CB 3.13Å; D319-A323 PolarHBondContact O-N 3.17Å; F320-A323 PolarHBondContact O-N 3.03Å; A323-T327 HydrophobicContact CB-CG2 3.88Å; A323-Q328 HydrophobicContact CB-CG 3.98Å; A323-Q328 PolarHBondContact O-NE2 3.38Å; A323-Y332 HydrophobicContact CB-CE2 4.21Å
324	S	90.4	Very high	91	Very high	66 Å²	66	46.1 Å²	46.1	46%	0.462	28%	0.277	S	S	.	.			trans	-64.1	158.8	171.4	71.8	0	0	0	0	110.8	D326 T327 Q328	S324-D326 PolarHBondContact O-N 3.32Å; S324-T327 PolarHBondContact O-N 3.01Å; S324-T327 VanDerWaalsContact O-N 3.13Å; S324-T327 PolarHBondContact OG-N 3.26Å; S324-T327 PolarHBondContact OG-OG1 3.06Å; S324-T327 VanDerWaalsContact OG-OG1 3.05Å; S324-Q328 WeakPolarHBondContact O-CG 3.29Å; S324-Q328 PolarHBondContact O-N 3.39Å
325	S	86.7	Confident	90.7	Very high	65 Å²	65	45.8 Å²	45.8	46%	0.455	28%	0.276	S	S	.	.	H	α-helix	trans	-56.1	-36	178.7	-176.8	0	0	0	0	112.4	T329 R339	S325-T329 PolarHBondContact O-N 3.3Å; S325-T329 PolarHBondContact O-OG1 2.97Å; S325-R339 PolarHBondContact OG-NH1 3.06Å; S325-R339 VanDerWaalsContact OG-NH1 3.12Å
326	D	87.1	Confident	90.2	Very high	130 Å²	130	49.4 Å²	49.4	70%	0.695	29%	0.293	S	S	*	.	H	α-helix	trans	-66.5	-48	178.1	-62.8	-19.8	0	0	0	110.9	S324 Q328 T329 S330	S324-D326 PolarHBondContact O-N 3.32Å; D326-Q328 VanDerWaalsContact C-N 3.35Å; D326-Q328 PolarHBondContact O-N 3.2Å; D326-T329 PolarHBondContact O-N 3.4Å; D326-T329 VanDerWaalsContact O-N 3.16Å; D326-S330 PolarHBondContact O-N 3.1Å; D326-S330 PolarHBondContact O-OG 2.86Å
327	T	88.1	Confident	89.9	Confident	50 Å²	50	53.3 Å²	53.3	31%	0.307	33%	0.327	S	S	.	.	H	α-helix	trans	-64.1	-38.1	178.2	-57.3	0	0	0	0	112.4	A323 S324 T329 S330 L331 Y332	A323-T327 HydrophobicContact CB-CG2 3.88Å; S324-T327 PolarHBondContact O-N 3.01Å; S324-T327 VanDerWaalsContact O-N 3.13Å; S324-T327 PolarHBondContact OG-N 3.26Å; S324-T327 PolarHBondContact OG-OG1 3.06Å; S324-T327 VanDerWaalsContact OG-OG1 3.05Å; T327-T329 VanDerWaalsContact C-N 3.28Å; T327-T329 PolarHBondContact O-N 3.25Å; T327-S330 WeakPolarHBondContact CA-OG 3.48Å; T327-S330 PolarHBondContact O-N 2.94Å; T327-S330 PolarHBondContact O-OG 2.8Å; T327-L331 HydrophobicContact CG2-CD1 3.8Å; T327-L331 HydrophobicContact CG2-CG 4.4Å; T327-L331 PolarHBondContact O-N 3.11Å; T327-Y332 HydrophobicContact CG2-CE2 4.22Å
328	Q	86.8	Confident	89.6	Confident	14 Å²	14	54.7 Å²	54.7	7%	0.065	33%	0.333	C	S	.	.	H	α-helix	trans	-57.8	-42.9	173.5	-75	-179.9	-13.9	0	0	111.7	F320 A323 S324 D326 Y332 R339	F320-Q328 HydrophobicContact CD2-CB 4.15Å; F320-Q328 HydrophobicContact CD2-CG 3.77Å; F320-Q328 HydrophobicContact CE2-CB 3.8Å; F320-Q328 HydrophobicContact CE2-CG 3.73Å; F320-Q328 WeakPolarHBondContact O-CG 3.38Å; F320-Q328 PolarHBondContact O-NE2 2.92Å; A323-Q328 HydrophobicContact CB-CG 3.98Å; A323-Q328 PolarHBondContact O-NE2 3.38Å; S324-Q328 WeakPolarHBondContact O-CG 3.29Å; S324-Q328 PolarHBondContact O-N 3.39Å; D326-Q328 VanDerWaalsContact C-N 3.35Å; D326-Q328 PolarHBondContact O-N 3.2Å; Q328-Y332 PolarHBondContact O-N 3.05Å; Q328-R339 VanDerWaalsContact OE1-CD 3.3Å
329	T	83.6	Confident	89.1	Confident	74 Å²	74	59 Å²	59	45%	0.454	35%	0.349	S	S	.	.	H	α-helix	trans	-76.7	-29.3	-177	-45.8	0	0	0	0	112	S325 D326 T327 R339	S325-T329 PolarHBondContact O-N 3.3Å; S325-T329 PolarHBondContact O-OG1 2.97Å; D326-T329 PolarHBondContact O-N 3.4Å; D326-T329 VanDerWaalsContact O-N 3.16Å; T327-T329 VanDerWaalsContact C-N 3.28Å; T327-T329 PolarHBondContact O-N 3.25Å; T329-R339 PolarHBondContact OG1-NH2 3.46Å
330	S	84.6	Confident	88.4	Confident	69 Å²	69	62.4 Å²	62.4	48%	0.483	39%	0.385	S	S	.	.	H	α-helix	trans	-85.6	-52.3	-177.8	65.9	0	0	0	0	113.7	D326 T327	D326-S330 PolarHBondContact O-N 3.1Å; D326-S330 PolarHBondContact O-OG 2.86Å; T327-S330 WeakPolarHBondContact CA-OG 3.48Å; T327-S330 PolarHBondContact O-N 2.94Å; T327-S330 PolarHBondContact O-OG 2.8Å
331	L	84.5	Confident	88.1	Confident	111 Å²	111	65.2 Å²	65.2	58%	0.581	40%	0.4	S	S	*	.	H	α-helix	trans	-94.1	-26.5	-168.8	-68.8	178.4	0	0	0	113.7	T327	T327-L331 HydrophobicContact CG2-CD1 3.8Å; T327-L331 HydrophobicContact CG2-CG 4.4Å; T327-L331 PolarHBondContact O-N 3.11Å
332	Y	87.9	Confident	87.6	Confident	11 Å²	11	69.6 Å²	69.6	4%	0.043	42%	0.417	C	S	.	.			trans	-111.5	43.2	-170.2	-61.2	-78.4	0	0	0	112.8	M316 D319 F320 A323 T327 Q328 G334 L335	M316-Y332 HydrophobicContact CE-CD1 3.66Å; M316-Y332 HydrophobicContact CE-CE1 3.87Å; M316-Y332 HydrophobicContact CG-CD1 4.22Å; M316-Y332 HydrophobicContact CG-CE1 3.81Å; D319-Y332 VanDerWaalsContact CB-OH 3.27Å; D319-Y332 WeakPolarHBondContact CB-OH 3.22Å; F320-Y332 HydrophobicContact CB-CD1 3.94Å; F320-Y332 HydrophobicContact CB-CD2 4.3Å; F320-Y332 HydrophobicContact CB-CE1 4.21Å; F320-Y332 HydrophobicContact CB-CG 3.99Å; F320-Y332 VanDerWaalsContact CD2-CB 3.44Å; F320-Y332 HydrophobicContact CD2-CD1 4.42Å; F320-Y332 AromaticContact CD2-CD2 3.98Å; F320-Y332 HydrophobicContact CD2-CD2 3.98Å; F320-Y332 AromaticContact CD2-CG 3.71Å; F320-Y332 HydrophobicContact CD2-CG 3.71Å; F320-Y332 HydrophobicContact CG-CG 4.3Å; A323-Y332 HydrophobicContact CB-CE2 4.21Å; T327-Y332 HydrophobicContact CG2-CE2 4.22Å; Q328-Y332 PolarHBondContact O-N 3.05Å; Y332-G334 PolarHBondContact O-N 3.45Å; Y332-L335 HydrophobicContact CD1-CD1 4.19Å; Y332-L335 WeakPolarHBondContact O-CB 3.38Å; Y332-L335 PolarHBondContact O-N 3.47Å; Y332-L335 VanDerWaalsContact O-N 3.09Å
333	K	82.9	Confident	87.1	Confident	160 Å²	160	67.4 Å²	67.4	70%	0.696	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	129.5	179.6	-66.4	-176.8	-178.1	179.7	0	111.4	E336	K333-E336 WeakPolarHBondContact CA-OE1 3.49Å
334	G	86.2	Confident	86.5	Confident	50 Å²	50	70.1 Å²	70.1	52%	0.515	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.2	-1.6	-176.5	0	0	0	0	0	114.6	Y332 E336	Y332-G334 PolarHBondContact O-N 3.45Å; G334-E336 WeakPolarHBondContact CA-OE2 3.31Å; G334-E336 PolarHBondContact N-OE1 3.04Å; G334-E336 PolarHBondContact N-OE2 2.84Å
335	L	91.1	Very high	86.2	Confident	1 Å²	1	72.1 Å²	72.1	1%	0.005	41%	0.414	C	S	.	.			trans	-105.4	-2.2	174.2	-57	-175.2	0	0	0	113.5	F320 Y332 A337 F338 A355 L356 A359	F320-L335 HydrophobicContact CB-CD1 4.42Å; F320-L335 HydrophobicContact CD1-CB 4.4Å; F320-L335 HydrophobicContact CD2-CB 4.25Å; F320-L335 HydrophobicContact CE1-CB 4.24Å; F320-L335 HydrophobicContact CE2-CB 4.07Å; F320-L335 HydrophobicContact CG-CB 4.4Å; F320-L335 HydrophobicContact CG-CD1 4.36Å; F320-L335 HydrophobicContact CZ-CB 4.06Å; F320-L335 VanDerWaalsContact CZ-O 3.22Å; F320-L335 WeakPolarHBondContact CZ-O 3.44Å; Y332-L335 HydrophobicContact CD1-CD1 4.19Å; Y332-L335 WeakPolarHBondContact O-CB 3.38Å; Y332-L335 PolarHBondContact O-N 3.47Å; Y332-L335 VanDerWaalsContact O-N 3.09Å; L335-A337 PolarHBondContact O-N 3Å; L335-F338 HydrophobicContact CD2-CD2 4.31Å; L335-F338 PolarHBondContact O-N 3.37Å; L335-A355 HydrophobicContact CD2-CB 3.99Å; L335-L356 HydrophobicContact CD1-CD2 3.66Å; L335-L356 HydrophobicContact CD2-CD2 3.79Å; L335-L356 HydrophobicContact CD2-CG 4.42Å; L335-L356 HydrophobicContact CG-CD2 4.4Å; L335-A359 HydrophobicContact CD1-CB 4.44Å; L335-A359 HydrophobicContact CD2-CB 4.38Å
336	E	88.6	Confident	86.2	Confident	76 Å²	76	69 Å²	69	36%	0.355	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-59.8	-35.5	-174.2	-57.6	88.3	161.7	0	0	112.3	K333 G334 F338 R339	K333-E336 WeakPolarHBondContact CA-OE1 3.49Å; G334-E336 WeakPolarHBondContact CA-OE2 3.31Å; G334-E336 PolarHBondContact N-OE1 3.04Å; G334-E336 PolarHBondContact N-OE2 2.84Å; E336-F338 PolarHBondContact O-N 3.17Å; E336-F338 VanDerWaalsContact O-N 3.08Å; E336-R339 WeakPolarHBondContact O-CB 3.3Å; E336-R339 PolarHBondContact O-N 3.02Å
337	A	89.9	Confident	86.2	Confident	92 Å²	92	63.9 Å²	63.9	76%	0.76	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-60.7	-17.3	176.6	0	0	0	0	0	113.5	L335	L335-A337 PolarHBondContact O-N 3Å
338	F	90.9	Very high	85.9	Confident	29 Å²	29	65.7 Å²	65.7	13%	0.127	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-107	3.9	-176.8	-50	-68.4	0	0	0	113.7	F317 L335 E336 G340 L341 L352 A355	F317-F338 HydrophobicContact CE2-CB 4.14Å; F317-F338 HydrophobicContact CZ-CB 4.5Å; L335-F338 HydrophobicContact CD2-CD2 4.31Å; L335-F338 PolarHBondContact O-N 3.37Å; E336-F338 PolarHBondContact O-N 3.17Å; E336-F338 VanDerWaalsContact O-N 3.08Å; F338-G340 PolarHBondContact O-N 3.5Å; F338-G340 VanDerWaalsContact O-N 3.14Å; F338-L341 HydrophobicContact CB-CD1 4.11Å; F338-L341 HydrophobicContact CD1-CD1 3.81Å; F338-L341 HydrophobicContact CG-CD1 4.43Å; F338-L341 PolarHBondContact O-N 2.67Å; F338-L341 VanDerWaalsContact O-N 3.09Å; F338-L352 HydrophobicContact CB-CD1 3.83Å; F338-L352 HydrophobicContact CD1-CB 4.26Å; F338-L352 HydrophobicContact CD1-CD1 3.96Å; F338-L352 HydrophobicContact CD2-CD1 3.63Å; F338-L352 HydrophobicContact CE1-CB 4.17Å; F338-L352 HydrophobicContact CE1-CD1 4.42Å; F338-L352 HydrophobicContact CE2-CD1 4.15Å; F338-L352 HydrophobicContact CG-CD1 3.52Å; F338-A355 HydrophobicContact CE2-CB 3.56Å; F338-A355 HydrophobicContact CZ-CB 4.06Å
339	R	85.8	Confident	86.1	Confident	92 Å²	92	67.2 Å²	67.2	35%	0.347	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-33.1	-175.6	-170.3	-176	-68.8	-157.8	-6.8	114	F320 S325 Q328 T329 E336	F320-R339 HydrophobicContact CE1-CB 4.4Å; F320-R339 HydrophobicContact CZ-CB 4.02Å; F320-R339 HydrophobicContact CZ-CG 4.39Å; S325-R339 PolarHBondContact OG-NH1 3.06Å; S325-R339 VanDerWaalsContact OG-NH1 3.12Å; Q328-R339 VanDerWaalsContact OE1-CD 3.3Å; T329-R339 PolarHBondContact OG1-NH2 3.46Å; E336-R339 WeakPolarHBondContact O-CB 3.3Å; E336-R339 PolarHBondContact O-N 3.02Å
340	G	83.9	Confident	86.4	Confident	77 Å²	77	71.4 Å²	71.4	79%	0.794	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-2.4	-178	0	0	0	0	0	115.3	F338	F338-G340 PolarHBondContact O-N 3.5Å; F338-G340 VanDerWaalsContact O-N 3.14Å
341	L	88.7	Confident	86.7	Confident	60 Å²	60	73.2 Å²	73.2	31%	0.314	40%	0.399	S	S	.	.			trans	-82.6	143.6	-177.1	-60	-175.3	0	0	0	111.5	F338 T346	F338-L341 HydrophobicContact CB-CD1 4.11Å; F338-L341 HydrophobicContact CD1-CD1 3.81Å; F338-L341 HydrophobicContact CG-CD1 4.43Å; F338-L341 PolarHBondContact O-N 2.67Å; F338-L341 VanDerWaalsContact O-N 3.09Å; L341-T346 HydrophobicContact CB-CG2 3.7Å; L341-T346 HydrophobicContact CD1-CG2 3.83Å; L341-T346 HydrophobicContact CG-CG2 4.4Å
342	K	83.8	Confident	87.1	Confident	140 Å²	140	67.9 Å²	67.9	61%	0.609	37%	0.371	S	S	*	.			trans	-85.5	150.5	170.4	-60.4	179.7	-179.4	175.9	0	110.5	E344 D345 T346	K342-E344 PolarHBondContact O-N 2.97Å; K342-D345 WeakPolarHBondContact CB-OD2 3.41Å; K342-D345 PolarHBondContact O-N 3.16Å; K342-D345 VanDerWaalsContact O-N 3.15Å; K342-T346 VanDerWaalsContact O-CG2 3.23Å; K342-T346 WeakPolarHBondContact O-CG2 3.31Å; K342-T346 PolarHBondContact O-OG1 2.81Å
343	L	83.7	Confident	87.3	Confident	24 Å²	24	68.8 Å²	68.8	13%	0.126	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-54.7	-39.6	176.1	-74.4	174.5	0	0	0	111.2	D267 R314 F317 L321 D345 T346	D267-L343 HydrophobicContact CB-CD1 4.1Å; R314-L343 VanDerWaalsContact NH2-C 3.26Å; R314-L343 VanDerWaalsContact NH2-CA 3.31Å; R314-L343 VanDerWaalsContact NH2-CB 3.27Å; R314-L343 PolarHBondContact NH2-O 3.38Å; F317-L343 HydrophobicContact CD1-CD2 3.67Å; F317-L343 HydrophobicContact CE1-CD2 3.92Å; L321-L343 HydrophobicContact CD1-CD2 3.8Å; L321-L343 HydrophobicContact CD1-CG 3.93Å; L343-D345 VanDerWaalsContact C-N 3.29Å; L343-D345 PolarHBondContact O-N 3.35Å; L343-T346 WeakPolarHBondContact CA-OG1 3.14Å; L343-T346 PolarHBondContact O-N 2.64Å; L343-T346 PolarHBondContact O-OG1 3.17Å
344	E	81	Confident	87.8	Confident	82 Å²	82	68.2 Å²	68.2	38%	0.383	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-67.1	-29.4	-177.1	-62.4	76	-165.4	0	0	113.6	R268 K342 T346 Y347	R268-E344 IonicContact CZ-OE1 2.99Å; R268-E344 IonicContact NH1-OE1 2.72Å; R268-E344 PolarHBondContact NH1-OE1 2.79Å; R268-E344 VanDerWaalsContact NH1-OE1 3.1Å; R268-E344 IonicContact NH2-OE1 2.68Å; R268-E344 PolarHBondContact NH2-OE1 3.09Å; K342-E344 PolarHBondContact O-N 2.97Å; E344-T346 VanDerWaalsContact C-N 3.28Å; E344-T346 PolarHBondContact O-N 2.66Å; E344-Y347 VanDerWaalsContact CA-CE2 3.49Å; E344-Y347 HydrophobicContact CB-CE2 4.32Å; E344-Y347 VanDerWaalsContact O-CD2 3.27Å; E344-Y347 WeakPolarHBondContact O-CD2 3.42Å
345	D	84	Confident	88.3	Confident	107 Å²	107	67 Å²	67	57%	0.572	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-84.8	-4.6	-177.4	-58.1	-34	0	0	0	112.5	K342 L343	K342-D345 WeakPolarHBondContact CB-OD2 3.41Å; K342-D345 PolarHBondContact O-N 3.16Å; K342-D345 VanDerWaalsContact O-N 3.15Å; L343-D345 VanDerWaalsContact C-N 3.29Å; L343-D345 PolarHBondContact O-N 3.35Å
346	T	87.2	Confident	88.5	Confident	1 Å²	1	67.2 Å²	67.2	1%	0.006	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.4	-9.3	-165.9	52.9	0	0	0	0	115	R314 F317 L341 K342 L343 E344 T348 N349 L352	R314-T346 PolarHBondContact NH1-OG1 2.88Å; F317-T346 HydrophobicContact CE1-CG2 4.06Å; F317-T346 HydrophobicContact CZ-CG2 4.35Å; L341-T346 HydrophobicContact CB-CG2 3.7Å; L341-T346 HydrophobicContact CD1-CG2 3.83Å; L341-T346 HydrophobicContact CG-CG2 4.4Å; K342-T346 VanDerWaalsContact O-CG2 3.23Å; K342-T346 WeakPolarHBondContact O-CG2 3.31Å; K342-T346 PolarHBondContact O-OG1 2.81Å; L343-T346 WeakPolarHBondContact CA-OG1 3.14Å; L343-T346 PolarHBondContact O-N 2.64Å; L343-T346 PolarHBondContact O-OG1 3.17Å; E344-T346 VanDerWaalsContact C-N 3.28Å; E344-T346 PolarHBondContact O-N 2.66Å; T346-T348 PolarHBondContact O-N 3.3Å; T346-N349 PolarHBondContact O-N 3.41Å; T346-N349 VanDerWaalsContact O-N 3.08Å; T346-L352 VanDerWaalsContact CB-CD2 3.4Å; T346-L352 HydrophobicContact CG2-CD2 3.5Å
347	Y	86.4	Confident	88.8	Confident	22 Å²	22	65.1 Å²	65.1	9%	0.086	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-18.4	-176.7	-55.9	-56.2	0	0	0	114.6	L263 R264 D267 E344	L263-Y347 HydrophobicContact CB-CD1 3.6Å; L263-Y347 HydrophobicContact CB-CE1 3.73Å; L263-Y347 HydrophobicContact CD1-CD1 4.06Å; L263-Y347 HydrophobicContact CG-CD1 4.49Å; R264-Y347 WeakPolarHBondContact CA-OH 3.41Å; R264-Y347 HydrophobicContact CB-CE1 4.38Å; R264-Y347 HydrophobicContact CB-CE2 4.43Å; R264-Y347 WeakPolarHBondContact CB-OH 3.41Å; D267-Y347 PolarHBondContact OD2-OH 2.85Å; E344-Y347 VanDerWaalsContact CA-CE2 3.49Å; E344-Y347 HydrophobicContact CB-CE2 4.32Å; E344-Y347 VanDerWaalsContact O-CD2 3.27Å; E344-Y347 WeakPolarHBondContact O-CD2 3.42Å
348	T	82.5	Confident	89.1	Confident	87 Å²	87	69.2 Å²	69.2	53%	0.534	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.7	6.6	179.6	54.9	0	0	0	0	113.4	T346 K350	T346-T348 PolarHBondContact O-N 3.3Å; T348-K350 PolarHBondContact O-N 3.22Å
349	N	90.6	Very high	89.3	Confident	47 Å²	47	69.6 Å²	69.6	25%	0.251	36%	0.361	S	S	.	.			trans	-80.7	104.8	-176.9	-173.3	-35.8	0	0	0	110.6	T346 D351 L352 D353	T346-N349 PolarHBondContact O-N 3.41Å; T346-N349 VanDerWaalsContact O-N 3.08Å; N349-D351 VanDerWaalsContact C-N 3.34Å; N349-D351 PolarHBondContact O-N 3.17Å; N349-D351 PolarHBondContact OD1-N 3.26Å; N349-L352 HydrophobicContact CB-CB 4.02Å; N349-L352 PolarHBondContact O-N 3.2Å; N349-L352 PolarHBondContact OD1-N 3.4Å; N349-D353 PolarHBondContact O-N 3.21Å
350	K	90.1	Very high	89.8	Confident	161 Å²	161	65.2 Å²	65.2	70%	0.7	34%	0.344	S	S	*	.	H	α-helix	trans	-67.7	-30.2	-176.9	-69.6	-173.1	177.9	-179.8	0	113.9	T348 K354	T348-K350 PolarHBondContact O-N 3.22Å; K350-K354 WeakPolarHBondContact O-CG 3.31Å; K350-K354 PolarHBondContact O-N 3.02Å; K350-K354 VanDerWaalsContact O-N 3.11Å
351	D	91.9	Very high	90.5	Very high	107 Å²	107	64.7 Å²	64.7	57%	0.572	32%	0.321	S	S	*	.	H	α-helix	trans	-74.7	-41.3	-179.3	-64.6	-33	0	0	0	110.5	N349 K354 A355	N349-D351 VanDerWaalsContact C-N 3.34Å; N349-D351 PolarHBondContact O-N 3.17Å; N349-D351 PolarHBondContact OD1-N 3.26Å; D351-K354 PolarHBondContact O-N 2.81Å; D351-A355 WeakPolarHBondContact O-CB 3.45Å; D351-A355 PolarHBondContact O-N 3.44Å
352	L	92.9	Very high	90.9	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-61.1	-46.9	170.2	178.7	69.3	0	0	0	111.2	F317 F338 T346 N349 K354 A355 L356	F317-L352 HydrophobicContact CD1-CD2 4.24Å; F317-L352 HydrophobicContact CD2-CD1 4.12Å; F317-L352 HydrophobicContact CE1-CD2 3.87Å; F317-L352 HydrophobicContact CE2-CD1 3.86Å; F317-L352 HydrophobicContact CE2-CD2 4.45Å; F317-L352 HydrophobicContact CZ-CD1 4.17Å; F317-L352 HydrophobicContact CZ-CD2 3.99Å; F338-L352 HydrophobicContact CB-CD1 3.83Å; F338-L352 HydrophobicContact CD1-CB 4.26Å; F338-L352 HydrophobicContact CD1-CD1 3.96Å; F338-L352 HydrophobicContact CD2-CD1 3.63Å; F338-L352 HydrophobicContact CE1-CB 4.17Å; F338-L352 HydrophobicContact CE1-CD1 4.42Å; F338-L352 HydrophobicContact CE2-CD1 4.15Å; F338-L352 HydrophobicContact CG-CD1 3.52Å; T346-L352 VanDerWaalsContact CB-CD2 3.4Å; T346-L352 HydrophobicContact CG2-CD2 3.5Å; N349-L352 HydrophobicContact CB-CB 4.02Å; N349-L352 PolarHBondContact O-N 3.2Å; N349-L352 PolarHBondContact OD1-N 3.4Å; L352-K354 VanDerWaalsContact C-N 3.3Å; L352-K354 PolarHBondContact O-N 3.43Å; L352-A355 PolarHBondContact O-N 3.11Å; L352-A355 VanDerWaalsContact O-N 3.17Å; L352-L356 HydrophobicContact CD1-CD1 3.75Å; L352-L356 HydrophobicContact CD1-CD2 4.26Å; L352-L356 HydrophobicContact CD1-CG 3.71Å; L352-L356 HydrophobicContact CD2-CD1 4.03Å; L352-L356 HydrophobicContact CG-CD1 3.58Å; L352-L356 HydrophobicContact CG-CG 3.97Å; L352-L356 WeakPolarHBondContact O-CB 3.5Å; L352-L356 WeakPolarHBondContact O-CG 3.26Å; L352-L356 PolarHBondContact O-N 2.78Å
353	D	91.7	Very high	91.6	Very high	30 Å²	30	61.1 Å²	61.1	16%	0.16	31%	0.309	C	S	.	.	H	α-helix	trans	-53.1	-48	177.4	-89.9	6.4	0	0	0	111.2	K310 N349 L357	K310-D353 WeakPolarHBondContact CE-OD2 3.42Å; K310-D353 IonicContact NZ-OD2 3.14Å; K310-D353 PolarHBondContact NZ-OD2 2.93Å; N349-D353 PolarHBondContact O-N 3.21Å; D353-L357 VanDerWaalsContact O-CB 3.29Å; D353-L357 WeakPolarHBondContact O-CB 3.36Å; D353-L357 WeakPolarHBondContact O-CD1 3.28Å; D353-L357 WeakPolarHBondContact O-CG 3.15Å; D353-L357 PolarHBondContact O-N 3.36Å
354	K	93.9	Very high	92.3	Very high	148 Å²	148	60.7 Å²	60.7	64%	0.643	31%	0.306	S	S	*	.	H	α-helix	trans	-63	-44.8	178.7	-74.1	174.5	-178.1	174.8	0	112.2	K350 D351 L352 K358	K350-K354 WeakPolarHBondContact O-CG 3.31Å; K350-K354 PolarHBondContact O-N 3.02Å; K350-K354 VanDerWaalsContact O-N 3.11Å; D351-K354 PolarHBondContact O-N 2.81Å; L352-K354 VanDerWaalsContact C-N 3.3Å; L352-K354 PolarHBondContact O-N 3.43Å; K354-K358 PolarHBondContact O-N 3.06Å; K354-K358 VanDerWaalsContact O-N 3.14Å
355	A	95.3	Very high	93.2	Very high	25 Å²	25	59.7 Å²	59.7	21%	0.207	30%	0.303	C	S	.	.	H	α-helix	trans	-64	-46.1	179.8	0	0	0	0	0	111.6	L335 F338 D351 L352 K358 A359	L335-A355 HydrophobicContact CD2-CB 3.99Å; F338-A355 HydrophobicContact CE2-CB 3.56Å; F338-A355 HydrophobicContact CZ-CB 4.06Å; D351-A355 WeakPolarHBondContact O-CB 3.45Å; D351-A355 PolarHBondContact O-N 3.44Å; L352-A355 PolarHBondContact O-N 3.11Å; L352-A355 VanDerWaalsContact O-N 3.17Å; A355-K358 PolarHBondContact O-N 2.68Å; A355-A359 WeakPolarHBondContact O-CB 3.39Å; A355-A359 PolarHBondContact O-N 3.46Å
356	L	95.2	Very high	93.9	Very high	4 Å²	4	60.8 Å²	60.8	2%	0.021	30%	0.303	C	S	.	.	H	α-helix	trans	-65.7	-44.9	178.7	-69.9	176	0	0	0	112	A313 F317 L335 L352 K358 A359 S360	A313-L356 HydrophobicContact CB-CB 3.86Å; F317-L356 HydrophobicContact CB-CD1 3.67Å; F317-L356 HydrophobicContact CB-CD2 3.68Å; F317-L356 HydrophobicContact CB-CG 4.34Å; F317-L356 HydrophobicContact CD1-CD1 4.44Å; F317-L356 HydrophobicContact CD2-CD1 4.31Å; F317-L356 HydrophobicContact CD2-CD2 3.88Å; F317-L356 HydrophobicContact CG-CD1 3.9Å; F317-L356 HydrophobicContact CG-CD2 4.07Å; L335-L356 HydrophobicContact CD1-CD2 3.66Å; L335-L356 HydrophobicContact CD2-CD2 3.79Å; L335-L356 HydrophobicContact CD2-CG 4.42Å; L335-L356 HydrophobicContact CG-CD2 4.4Å; L352-L356 HydrophobicContact CD1-CD1 3.75Å; L352-L356 HydrophobicContact CD1-CD2 4.26Å; L352-L356 HydrophobicContact CD1-CG 3.71Å; L352-L356 HydrophobicContact CD2-CD1 4.03Å; L352-L356 HydrophobicContact CG-CD1 3.58Å; L352-L356 HydrophobicContact CG-CG 3.97Å; L352-L356 WeakPolarHBondContact O-CB 3.5Å; L352-L356 WeakPolarHBondContact O-CG 3.26Å; L352-L356 PolarHBondContact O-N 2.78Å; L356-K358 VanDerWaalsContact C-N 3.26Å; L356-K358 PolarHBondContact O-N 3.12Å; L356-A359 PolarHBondContact O-N 3.43Å; L356-A359 VanDerWaalsContact O-N 3.16Å; L356-S360 WeakPolarHBondContact O-CB 3.46Å; L356-S360 PolarHBondContact O-N 2.9Å; L356-S360 PolarHBondContact O-OG 3.48Å; L356-S360 VanDerWaalsContact O-OG 3.04Å
357	L	95.7	Very high	94.4	Very high	32 Å²	32	61.9 Å²	61.9	17%	0.168	31%	0.307	C	S	.	.	H	α-helix	trans	-58.6	-40.7	177.4	-74.6	171	0	0	0	111.7	Q309 K310 A313 D353 Q361	Q309-L357 HydrophobicContact CB-CD2 4.14Å; Q309-L357 HydrophobicContact CG-CD2 3.59Å; K310-L357 HydrophobicContact CG-CD2 4.36Å; A313-L357 HydrophobicContact CB-CD2 4.23Å; D353-L357 VanDerWaalsContact O-CB 3.29Å; D353-L357 WeakPolarHBondContact O-CB 3.36Å; D353-L357 WeakPolarHBondContact O-CD1 3.28Å; D353-L357 WeakPolarHBondContact O-CG 3.15Å; D353-L357 PolarHBondContact O-N 3.36Å; L357-Q361 PolarHBondContact O-N 3.46Å
358	K	95.7	Very high	95	Very high	178 Å²	178	60.9 Å²	60.9	77%	0.774	30%	0.303	S	S	*	.	H	α-helix	trans	-66.1	-46.4	174.9	-177.2	179.7	177.5	-177.6	0	111.4	K354 A355 L356 S360 Q361	K354-K358 PolarHBondContact O-N 3.06Å; K354-K358 VanDerWaalsContact O-N 3.14Å; A355-K358 PolarHBondContact O-N 2.68Å; L356-K358 VanDerWaalsContact C-N 3.26Å; L356-K358 PolarHBondContact O-N 3.12Å; K358-S360 VanDerWaalsContact C-N 3.34Å; K358-S360 PolarHBondContact O-N 3.44Å; K358-Q361 PolarHBondContact O-N 2.83Å
359	A	95.6	Very high	95.8	Very high	38 Å²	38	62.1 Å²	62.1	31%	0.314	30%	0.302	S	S	.	.	H	α-helix	trans	-66.1	-35.8	-177.7	0	0	0	0	0	112.6	M316 L335 A355 L356	M316-A359 HydrophobicContact CE-CB 3.74Å; M316-A359 VanDerWaalsContact SD-C 3.59Å; M316-A359 HydrophobicContact SD-CB 3.92Å; L335-A359 HydrophobicContact CD1-CB 4.44Å; L335-A359 HydrophobicContact CD2-CB 4.38Å; A355-A359 WeakPolarHBondContact O-CB 3.39Å; A355-A359 PolarHBondContact O-N 3.46Å; L356-A359 PolarHBondContact O-N 3.43Å; L356-A359 VanDerWaalsContact O-N 3.16Å
360	S	97	Very high	96.2	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	2.6	-177.3	73.2	0	0	0	0	114.1	A313 M316 L356 K358 D362 M363 F364	A313-S360 WeakPolarHBondContact CA-OG 3.36Å; A313-S360 WeakPolarHBondContact CB-OG 3.23Å; M316-S360 VanDerWaalsContact SD-CA 3.56Å; M316-S360 VanDerWaalsContact SD-CB 3.59Å; L356-S360 WeakPolarHBondContact O-CB 3.46Å; L356-S360 PolarHBondContact O-N 2.9Å; L356-S360 PolarHBondContact O-OG 3.48Å; L356-S360 VanDerWaalsContact O-OG 3.04Å; K358-S360 VanDerWaalsContact C-N 3.34Å; K358-S360 PolarHBondContact O-N 3.44Å; S360-D362 PolarHBondContact O-N 2.98Å; S360-M363 PolarHBondContact O-N 3.22Å; S360-F364 WeakPolarHBondContact O-CB 3.31Å; S360-F364 PolarHBondContact O-N 3.26Å
361	Q	97.7	Very high	96.6	Very high	66 Å²	66	53 Å²	53	31%	0.308	26%	0.263	S	S	.	.	H	α-helix	trans	-59.9	-46.7	-169.4	-176.1	58.6	50.7	0	0	112.7	Q309 L357 K358 F364 D365	Q309-Q361 VanDerWaalsContact NE2-OE1 3.15Å; L357-Q361 PolarHBondContact O-N 3.46Å; K358-Q361 PolarHBondContact O-N 2.83Å; Q361-F364 WeakPolarHBondContact O-CB 3.31Å; Q361-F364 PolarHBondContact O-N 2.7Å; Q361-F364 VanDerWaalsContact O-N 3.17Å; Q361-D365 VanDerWaalsContact NE2-CG 3.29Å; Q361-D365 PolarHBondContact NE2-OD1 2.92Å; Q361-D365 PolarHBondContact NE2-OD2 2.87Å; Q361-D365 PolarHBondContact O-N 3.22Å
362	D	98	Very high	97	Very high	93 Å²	93	48.5 Å²	48.5	50%	0.497	24%	0.238	S	C	.	.	H	α-helix	trans	-63.8	-42.8	178.8	178.3	74	0	0	0	112.1	S360 F364 D365 K366	S360-D362 PolarHBondContact O-N 2.98Å; D362-F364 VanDerWaalsContact C-N 3.29Å; D362-F364 PolarHBondContact O-N 2.66Å; D362-D365 PolarHBondContact O-N 2.88Å; D362-K366 WeakPolarHBondContact O-CB 3.42Å; D362-K366 WeakPolarHBondContact O-CG 3.33Å; D362-K366 PolarHBondContact O-N 3.44Å; D362-K366 WeakPolarHBondContact OD1-CE 3.34Å; D362-K366 IonicContact OD1-NZ 3.44Å; D362-K366 PolarHBondContact OD1-NZ 3.21Å; D362-K366 WeakPolarHBondContact OD2-CE 3.39Å; D362-K366 IonicContact OD2-NZ 3.1Å; D362-K366 PolarHBondContact OD2-NZ 2.74Å
363	M	98.3	Very high	97.2	Very high	32 Å²	32	52.7 Å²	52.7	16%	0.158	26%	0.255	C	S	.	.	H	α-helix	trans	-62.9	-38.3	173.9	-67.1	-169	-143.5	0	0	111.5	L292 L312 M316 S360 K366 K367	L292-M363 HydrophobicContact CB-SD 3.95Å; L292-M363 HydrophobicContact CD1-SD 3.88Å; L312-M363 HydrophobicContact CD2-CB 4.16Å; M316-M363 HydrophobicContact CE-CE 4.1Å; M316-M363 HydrophobicContact CG-CE 4.5Å; M316-M363 HydrophobicContact SD-CE 4.24Å; S360-M363 PolarHBondContact O-N 3.22Å; M363-K366 PolarHBondContact O-N 3.41Å; M363-K367 HydrophobicContact CB-CD 4.14Å; M363-K367 HydrophobicContact CG-CD 4.49Å; M363-K367 WeakPolarHBondContact O-CA 3.47Å; M363-K367 WeakPolarHBondContact O-CB 3.45Å; M363-K367 VanDerWaalsContact O-CG 3.3Å; M363-K367 WeakPolarHBondContact O-CG 3.45Å; M363-K367 PolarHBondContact O-N 3.27Å
364	F	98.8	Very high	97.6	Very high	14 Å²	14	51.3 Å²	51.3	6%	0.061	25%	0.247	C	C	.	.	H	α-helix	trans	-63.8	-48.6	177	177.1	-99.1	0	0	0	111.8	Q309 L312 S360 Q361 D362 K366 T368 K369 L372	Q309-F364 HydrophobicContact CB-CD2 4.25Å; Q309-F364 HydrophobicContact CB-CE2 3.79Å; Q309-F364 HydrophobicContact CB-CZ 3.96Å; Q309-F364 HydrophobicContact CG-CD1 4.14Å; Q309-F364 HydrophobicContact CG-CD2 3.96Å; Q309-F364 HydrophobicContact CG-CE1 4.06Å; Q309-F364 HydrophobicContact CG-CE2 3.88Å; Q309-F364 HydrophobicContact CG-CG 4.08Å; Q309-F364 HydrophobicContact CG-CZ 3.92Å; L312-F364 HydrophobicContact CD2-CB 3.71Å; L312-F364 HydrophobicContact CD2-CD2 4.18Å; L312-F364 HydrophobicContact CD2-CG 4.46Å; S360-F364 WeakPolarHBondContact O-CB 3.31Å; S360-F364 PolarHBondContact O-N 3.26Å; Q361-F364 WeakPolarHBondContact O-CB 3.31Å; Q361-F364 PolarHBondContact O-N 2.7Å; Q361-F364 VanDerWaalsContact O-N 3.17Å; D362-F364 VanDerWaalsContact C-N 3.29Å; D362-F364 PolarHBondContact O-N 2.66Å; F364-K366 VanDerWaalsContact C-N 3.3Å; F364-K366 PolarHBondContact O-N 3.08Å; F364-T368 HydrophobicContact CD2-CG2 4.08Å; F364-T368 HydrophobicContact CE2-CG2 3.92Å; F364-T368 PolarHBondContact O-N 3.08Å; F364-T368 VanDerWaalsContact O-N 3.12Å; F364-K369 HydrophobicContact CD1-CB 4.24Å; F364-K369 HydrophobicContact CE1-CB 3.94Å; F364-K369 HydrophobicContact CE1-CD 4.28Å; F364-K369 HydrophobicContact CE1-CG 4.14Å; F364-K369 HydrophobicContact CZ-CB 4.36Å; F364-K369 WeakPolarHBondContact O-CB 3.35Å; F364-K369 PolarHBondContact O-N 3.19Å; F364-L372 HydrophobicContact CE2-CD1 3.88Å; F364-L372 HydrophobicContact CZ-CD1 3.55Å
365	D	98.8	Very high	97.8	Very high	62 Å²	62	44.3 Å²	44.3	33%	0.332	22%	0.217	S	C	.	.	H	α-helix	trans	-60.8	-40.1	179	-72.8	-44.6	0	0	0	111.5	Q361 D362 K369	Q361-D365 VanDerWaalsContact NE2-CG 3.29Å; Q361-D365 PolarHBondContact NE2-OD1 2.92Å; Q361-D365 PolarHBondContact NE2-OD2 2.87Å; Q361-D365 PolarHBondContact O-N 3.22Å; D362-D365 PolarHBondContact O-N 2.88Å; D365-K369 WeakPolarHBondContact OD1-CD 3.31Å; D365-K369 IonicContact OD1-NZ 3.34Å; D365-K369 PolarHBondContact OD1-NZ 2.77Å
366	K	98.6	Very high	98	Very high	129 Å²	129	44.2 Å²	44.2	56%	0.561	21%	0.214	S	C	*	.	H	α-helix	trans	-80	-43.5	-178.8	-71.1	172.6	-179.3	161.4	0	114.7	D362 M363 F364	D362-K366 WeakPolarHBondContact O-CB 3.42Å; D362-K366 WeakPolarHBondContact O-CG 3.33Å; D362-K366 PolarHBondContact O-N 3.44Å; D362-K366 WeakPolarHBondContact OD1-CE 3.34Å; D362-K366 IonicContact OD1-NZ 3.44Å; D362-K366 PolarHBondContact OD1-NZ 3.21Å; D362-K366 WeakPolarHBondContact OD2-CE 3.39Å; D362-K366 IonicContact OD2-NZ 3.1Å; D362-K366 PolarHBondContact OD2-NZ 2.74Å; M363-K366 PolarHBondContact O-N 3.41Å; F364-K366 VanDerWaalsContact C-N 3.3Å; F364-K366 PolarHBondContact O-N 3.08Å
367	K	98.8	Very high	98.2	Very high	25 Å²	25	45.3 Å²	45.3	11%	0.109	22%	0.219	C	C	.	.	H	α-helix	trans	-100.3	-23	-165.2	-54.4	176.5	-175.3	-96.3	0	113.6	L292 L295 Q296 Y297 M298 M363	L292-K367 PolarHBondContact O-NZ 2.72Å; L295-K367 PolarHBondContact O-NZ 2.82Å; Q296-K367 WeakPolarHBondContact O-CG 3.36Å; Y297-K367 CarbonylContact C-O 3.54Å; Y297-K367 WeakPolarHBondContact CA-O 3.4Å; M298-K367 PolarHBondContact N-O 2.95Å; M363-K367 HydrophobicContact CB-CD 4.14Å; M363-K367 HydrophobicContact CG-CD 4.49Å; M363-K367 WeakPolarHBondContact O-CA 3.47Å; M363-K367 WeakPolarHBondContact O-CB 3.45Å; M363-K367 VanDerWaalsContact O-CG 3.3Å; M363-K367 WeakPolarHBondContact O-CG 3.45Å; M363-K367 PolarHBondContact O-N 3.27Å
368	T	98.9	Very high	98.3	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-133.6	-37.1	-165.9	-61.6	0	0	0	0	114.2	M298 F300 V308 F364 A370 S371	M298-T368 WeakPolarHBondContact O-CB 3.13Å; M298-T368 WeakPolarHBondContact O-CG2 3.42Å; M298-T368 PolarHBondContact O-OG1 3Å; F300-T368 HydrophobicContact CD2-CG2 4.05Å; F300-T368 HydrophobicContact CE2-CG2 4.06Å; V308-T368 HydrophobicContact CG1-CG2 3.43Å; V308-T368 VanDerWaalsContact CG1-CG2 3.43Å; F364-T368 HydrophobicContact CD2-CG2 4.08Å; F364-T368 HydrophobicContact CE2-CG2 3.92Å; F364-T368 PolarHBondContact O-N 3.08Å; F364-T368 VanDerWaalsContact O-N 3.12Å; T368-A370 PolarHBondContact O-N 3.04Å; T368-S371 VanDerWaalsContact O-CB 3.32Å; T368-S371 WeakPolarHBondContact O-CB 3.49Å; T368-S371 PolarHBondContact O-N 2.9Å; T368-S371 PolarHBondContact O-OG 3.22Å
369	K	98.9	Very high	98.5	Very high	114 Å²	114	35.3 Å²	35.3	50%	0.496	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-56	-43.6	-171.4	-177.5	173.4	-177.5	179.4	0	114.2	F364 D365 S371 L372	F364-K369 HydrophobicContact CD1-CB 4.24Å; F364-K369 HydrophobicContact CE1-CB 3.94Å; F364-K369 HydrophobicContact CE1-CD 4.28Å; F364-K369 HydrophobicContact CE1-CG 4.14Å; F364-K369 HydrophobicContact CZ-CB 4.36Å; F364-K369 WeakPolarHBondContact O-CB 3.35Å; F364-K369 PolarHBondContact O-N 3.19Å; D365-K369 WeakPolarHBondContact OD1-CD 3.31Å; D365-K369 IonicContact OD1-NZ 3.34Å; D365-K369 PolarHBondContact OD1-NZ 2.77Å; K369-S371 PolarHBondContact O-N 3.42Å; K369-L372 WeakPolarHBondContact O-CB 3.3Å; K369-L372 PolarHBondContact O-N 3.01Å
370	A	98.8	Very high	98.6	Very high	16 Å²	16	33.7 Å²	33.7	13%	0.132	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-57.3	-33.6	177.5	0	0	0	0	0	112.7	T368 L372 Y373 S392 H396	T368-A370 PolarHBondContact O-N 3.04Å; A370-L372 PolarHBondContact O-N 2.94Å; A370-Y373 PolarHBondContact O-N 3.18Å; A370-S392 WeakPolarHBondContact O-CB 3.49Å; A370-H396 HydrophobicContact CB-CB 3.91Å
371	S	98.9	Very high	98.7	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-68.5	-13.5	177.7	79.7	0	0	0	0	113.8	T368 K369 C389 S392	T368-S371 VanDerWaalsContact O-CB 3.32Å; T368-S371 WeakPolarHBondContact O-CB 3.49Å; T368-S371 PolarHBondContact O-N 2.9Å; T368-S371 PolarHBondContact O-OG 3.22Å; K369-S371 PolarHBondContact O-N 3.42Å; S371-C389 WeakPolarHBondContact CB-O 3.29Å; S371-C389 WeakPolarHBondContact O-CA 3.4Å; S371-C389 WeakPolarHBondContact O-CB 3.43Å; S371-C389 PolarHBondContact O-SG 2.72Å; S371-S392 WeakPolarHBondContact O-CB 3.46Å
372	L	98.9	Very high	98.8	Very high	12 Å²	12	30.7 Å²	30.7	6%	0.063	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-89.5	-1	-176.3	-60.1	179.7	0	0	0	113.7	T302 C305 V308 F364 K369 A370 L374 S375 T376	T302-L372 HydrophobicContact CG2-CD2 3.94Å; C305-L372 HydrophobicContact CB-CD1 4.16Å; V308-L372 HydrophobicContact CB-CD1 4.33Å; V308-L372 HydrophobicContact CB-CD2 3.93Å; V308-L372 HydrophobicContact CG1-CD1 4.33Å; V308-L372 HydrophobicContact CG1-CD2 3.88Å; V308-L372 HydrophobicContact CG2-CD2 3.93Å; F364-L372 HydrophobicContact CE2-CD1 3.88Å; F364-L372 HydrophobicContact CZ-CD1 3.55Å; K369-L372 WeakPolarHBondContact O-CB 3.3Å; K369-L372 PolarHBondContact O-N 3.01Å; A370-L372 PolarHBondContact O-N 2.94Å; L372-L374 PolarHBondContact O-N 2.77Å; L372-S375 PolarHBondContact O-N 2.97Å; L372-T376 PolarHBondContact O-N 2.9Å
373	Y	98.9	Very high	98.8	Very high	89 Å²	89	26.3 Å²	26.3	35%	0.349	12%	0.123	S	C	.	.	H	α-helix	trans	-58.6	-50.5	-172.5	-170.9	-95.5	0	0	0	112.8	A370 T376 H377 P446 L449	A370-Y373 PolarHBondContact O-N 3.18Å; Y373-T376 WeakPolarHBondContact O-CG2 3.33Å; Y373-H377 AromaticContact CD2-CD2 3.95Å; Y373-H377 AromaticContact CE1-CD2 3.79Å; Y373-H377 AromaticContact CE2-CD2 3.64Å; Y373-H377 AromaticContact CE2-NE2 3.53Å; Y373-H377 AromaticContact CZ-CD2 3.54Å; Y373-H377 AromaticContact CZ-NE2 3.69Å; Y373-H377 PolarHBondContact O-CD2 3.26Å; Y373-H377 PolarHBondContact O-N 2.96Å; Y373-P446 HydrophobicContact CD1-CG 4.43Å; Y373-P446 HydrophobicContact CE1-CB 3.83Å; Y373-P446 HydrophobicContact CE1-CG 3.83Å; Y373-L449 HydrophobicContact CD1-CD1 3.84Å; Y373-L449 HydrophobicContact CE1-CD1 3.6Å
374	L	98.9	Very high	98.8	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-63.9	-43.2	175.5	179.1	55	0	0	0	111.4	V61 F63 L372 T376 H377 N378 M381 S392 L445 L449	V61-L374 HydrophobicContact CG2-CD2 3.8Å; F63-L374 HydrophobicContact CD1-CD1 3.84Å; F63-L374 HydrophobicContact CE1-CD1 4.1Å; L372-L374 PolarHBondContact O-N 2.77Å; L374-T376 PolarHBondContact O-N 3.23Å; L374-H377 CarbonylContact O-C 3.39Å; L374-H377 PolarHBondContact O-N 2.96Å; L374-H377 VanDerWaalsContact O-N 3.13Å; L374-N378 HydrophobicContact CD1-CB 3.62Å; L374-N378 HydrophobicContact CG-CB 4.32Å; L374-N378 WeakPolarHBondContact O-CB 3.47Å; L374-N378 PolarHBondContact O-N 2.92Å; L374-M381 HydrophobicContact CD2-CE 3.6Å; L374-M381 HydrophobicContact CD2-SD 4.28Å; L374-M381 HydrophobicContact CG-CE 3.99Å; L374-M381 HydrophobicContact CG-SD 4.5Å; L374-S392 WeakPolarHBondContact CB-OG 3.43Å; L374-S392 PolarHBondContact N-OG 3.12Å; L374-L445 HydrophobicContact CB-CD2 4.49Å; L374-L445 HydrophobicContact CD1-CD1 4.41Å; L374-L449 HydrophobicContact CD1-CD1 3.95Å; L374-L449 HydrophobicContact CD1-CD2 3.65Å; L374-L449 HydrophobicContact CD1-CG 4.27Å
375	S	98.9	Very high	98.8	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.007	11%	0.112	C	C	.	.	H	α-helix	trans	-61.8	-43.1	-177.8	-54.8	0	0	0	0	112.9	Q90 T302 L372 H377 G379 C389	Q90-S375 PolarHBondContact NE2-O 3.4Å; T302-S375 VanDerWaalsContact CG2-CB 3.45Å; L372-S375 PolarHBondContact O-N 2.97Å; S375-H377 VanDerWaalsContact C-N 3.27Å; S375-H377 PolarHBondContact O-N 3.25Å; S375-G379 WeakPolarHBondContact O-CA 3.32Å; S375-G379 PolarHBondContact O-N 3.16Å; S375-C389 PolarHBondContact OG-SG 3.3Å
376	T	98.9	Very high	98.8	Very high	24 Å²	24	21.3 Å²	21.3	15%	0.147	10%	0.097	C	C	.	.	H	α-helix	trans	-68.8	-27.4	176.9	-165.7	0	0	0	0	112.3	G89 T91 R92 L372 Y373 L374	G89-T376 PolarHBondContact O-OG1 2.81Å; G89-T376 VanDerWaalsContact O-OG1 3.12Å; T91-T376 WeakPolarHBondContact CA-O 3.43Å; T91-T376 WeakPolarHBondContact CB-O 3.39Å; T91-T376 PolarHBondContact N-O 3.48Å; T91-T376 PolarHBondContact N-OG1 2.84Å; T91-T376 PolarHBondContact OG1-OG1 3.14Å; R92-T376 PolarHBondContact N-O 3.2Å; L372-T376 PolarHBondContact O-N 2.9Å; Y373-T376 WeakPolarHBondContact O-CG2 3.33Å; L374-T376 PolarHBondContact O-N 3.23Å
377	H	98.9	Very high	98.9	Very high	26 Å²	26	15.2 Å²	15.2	12%	0.12	7%	0.071	C	C	.	.	H	α-helix	trans	-97.3	-9.1	-179	-72.9	-56.9	0	0	0	114.7	R92 Y373 L374 S375 L449 R452	R92-H377 VanDerWaalsContact CB-O 3.3Å; R92-H377 WeakPolarHBondContact CB-O 3.16Å; R92-H377 CarbonylContact O-C 3.57Å; R92-H377 VanDerWaalsContact O-C 3.26Å; Y373-H377 AromaticContact CD2-CD2 3.95Å; Y373-H377 AromaticContact CE1-CD2 3.79Å; Y373-H377 AromaticContact CE2-CD2 3.64Å; Y373-H377 AromaticContact CE2-NE2 3.53Å; Y373-H377 AromaticContact CZ-CD2 3.54Å; Y373-H377 AromaticContact CZ-NE2 3.69Å; Y373-H377 PolarHBondContact O-CD2 3.26Å; Y373-H377 PolarHBondContact O-N 2.96Å; L374-H377 CarbonylContact O-C 3.39Å; L374-H377 PolarHBondContact O-N 2.96Å; L374-H377 VanDerWaalsContact O-N 3.13Å; S375-H377 VanDerWaalsContact C-N 3.27Å; S375-H377 PolarHBondContact O-N 3.25Å; H377-L449 HydrophobicContact CB-CD1 4.17Å; H377-L449 HydrophobicContact CB-CD2 4.31Å; H377-R452 PolarHBondContact O-NH1 2.98Å; H377-R452 PolarHBondContact O-NH2 3.04Å
378	N	98.9	Very high	98.9	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-133.2	-16.1	-176	-163.2	59.9	0	0	0	114.5	R92 G94 G210 A211 L374 M381 R452	R92-N378 PolarHBondContact O-N 2.99Å; G94-N378 WeakPolarHBondContact CA-OD1 3.4Å; G94-N378 PolarHBondContact N-O 2.98Å; G210-N378 WeakPolarHBondContact CA-O 3.12Å; A211-N378 PolarHBondContact O-ND2 3.11Å; L374-N378 HydrophobicContact CD1-CB 3.62Å; L374-N378 HydrophobicContact CG-CB 4.32Å; L374-N378 WeakPolarHBondContact O-CB 3.47Å; L374-N378 PolarHBondContact O-N 2.92Å; N378-M381 WeakPolarHBondContact ND2-CG 3.1Å; N378-M381 PolarHBondContact ND2-SD 3.11Å; N378-R452 PolarHBondContact OD1-NH1 3.42Å
379	G	98.8	Very high	98.9	Very high	1 Å²	1	14 Å²	14	1%	0.01	7%	0.066	C	C	.	.	B	Isolated β-bridge	trans	85.9	-165.5	-177.9	0	0	0	0	0	113.7	G209 S375	G209-G379 CarbonylContact O-C 3.26Å; G209-G379 VanDerWaalsContact O-CA 3.23Å; G209-G379 WeakPolarHBondContact O-CA 3.48Å; S375-G379 WeakPolarHBondContact O-CA 3.32Å; S375-G379 PolarHBondContact O-N 3.16Å
380	N	98.8	Very high	98.9	Very high	4 Å²	4	8.6 Å²	8.6	2%	0.021	4%	0.042	C	C	.	.			trans	-79.4	118.5	-179	-172.8	2	0	0	0	110.6	A198 T208 G209 G210 Y382	A198-N380 WeakPolarHBondContact CB-O 3.49Å; T208-N380 WeakPolarHBondContact O-CB 3.41Å; G209-N380 PolarHBondContact O-N 3.12Å; G210-N380 CarbonylContact C-O 3.48Å; G210-N380 VanDerWaalsContact C-O 3.29Å; G210-N380 WeakPolarHBondContact CA-O 3.41Å; G210-N380 PolarHBondContact N-O 3.29Å; N380-Y382 WeakPolarHBondContact ND2-CD1 3.4Å; N380-Y382 WeakPolarHBondContact ND2-CE1 3.47Å; N380-Y382 WeakPolarHBondContact OD1-CA 3.41Å; N380-Y382 PolarHBondContact OD1-N 2.99Å
381	M	98.7	Very high	98.9	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.036	C	C	.	.			trans	-103.8	26.4	176.2	-48.9	177.9	-67.3	0	0	112.3	L374 N378 T383 S384	L374-M381 HydrophobicContact CD2-CE 3.6Å; L374-M381 HydrophobicContact CD2-SD 4.28Å; L374-M381 HydrophobicContact CG-CE 3.99Å; L374-M381 HydrophobicContact CG-SD 4.5Å; N378-M381 WeakPolarHBondContact ND2-CG 3.1Å; N378-M381 PolarHBondContact ND2-SD 3.11Å; M381-T383 PolarHBondContact O-N 3.23Å; M381-T383 VanDerWaalsContact O-N 3.1Å; M381-S384 WeakPolarHBondContact CB-OG 3.47Å; M381-S384 PolarHBondContact O-N 2.85Å; M381-S384 PolarHBondContact O-OG 3.21Å
382	Y	98.8	Very high	98.9	Very high	2 Å²	2	7.9 Å²	7.9	1%	0.008	4%	0.036	C	C	.	.	G	3₁₀ helix	trans	42.6	-111.4	-176.6	-65.9	-25.9	0	0	0	113.3	E132 C166 D196 A198 Y200 F241 N380 S384 S385	E132-Y382 HydrophobicContact CG-CD2 3.46Å; E132-Y382 VanDerWaalsContact CG-CD2 3.46Å; E132-Y382 HydrophobicContact CG-CE2 4.11Å; E132-Y382 HydrophobicContact CG-CG 4.04Å; E132-Y382 WeakPolarHBondContact OE2-CE2 3.44Å; C166-Y382 VanDerWaalsContact SG-CA 3.53Å; C166-Y382 VanDerWaalsContact SG-CB 3.55Å; C166-Y382 WeakPolarHBondContact SG-CD1 3.16Å; D196-Y382 HydrophobicContact CB-CD2 3.79Å; D196-Y382 HydrophobicContact CB-CG 4.13Å; D196-Y382 VanDerWaalsContact OD2-CB 3.22Å; D196-Y382 WeakPolarHBondContact OD2-CB 3.23Å; A198-Y382 VanDerWaalsContact CA-CE2 3.44Å; A198-Y382 HydrophobicContact CB-CD1 3.76Å; A198-Y382 HydrophobicContact CB-CD2 3.74Å; A198-Y382 HydrophobicContact CB-CE1 3.48Å; A198-Y382 VanDerWaalsContact CB-CE1 3.48Å; A198-Y382 HydrophobicContact CB-CE2 3.46Å; A198-Y382 VanDerWaalsContact CB-CE2 3.46Å; A198-Y382 HydrophobicContact CB-CG 3.9Å; Y200-Y382 VanDerWaalsContact CZ-OH 3.25Å; Y200-Y382 WeakPolarHBondContact OH-CE1 3.32Å; Y200-Y382 PolarHBondContact OH-OH 2.62Å; Y200-Y382 VanDerWaalsContact OH-OH 3.06Å; F241-Y382 HydrophobicContact CZ-CE1 4.41Å; F241-Y382 AromaticContact CZ-CZ 3.97Å; N380-Y382 WeakPolarHBondContact ND2-CD1 3.4Å; N380-Y382 WeakPolarHBondContact ND2-CE1 3.47Å; N380-Y382 WeakPolarHBondContact OD1-CA 3.41Å; N380-Y382 PolarHBondContact OD1-N 2.99Å; Y382-S384 PolarHBondContact O-N 3.41Å; Y382-S384 VanDerWaalsContact O-N 3.16Å; Y382-S385 WeakPolarHBondContact O-CB 3.36Å; Y382-S385 PolarHBondContact O-N 2.73Å
383	T	98.9	Very high	98.9	Very high	1 Å²	1	7.3 Å²	7.3	1%	0.006	3%	0.033	C	C	.	.	G	3₁₀ helix	trans	-61.1	-26	-174.4	58.8	0	0	0	0	114	G130 A165 C166 G195 D196 M381 Y387	G130-T383 PolarHBondContact O-OG1 3.25Å; A165-T383 VanDerWaalsContact O-CG2 3.23Å; A165-T383 WeakPolarHBondContact O-CG2 3.41Å; C166-T383 WeakPolarHBondContact O-CA 3.34Å; G195-T383 PolarHBondContact N-OG1 3.18Å; D196-T383 WeakPolarHBondContact OD2-CB 3.09Å; D196-T383 WeakPolarHBondContact OD2-CG2 3.45Å; D196-T383 PolarHBondContact OD2-N 2.97Å; D196-T383 PolarHBondContact OD2-OG1 3.25Å; M381-T383 PolarHBondContact O-N 3.23Å; M381-T383 VanDerWaalsContact O-N 3.1Å; T383-Y387 WeakPolarHBondContact O-CD2 3.45Å
384	S	98.8	Very high	98.9	Very high	0 Å²	0	3.1 Å²	3.1	0%	0	2%	0.017	C	C	.	.	G	3₁₀ helix	trans	-92.7	-4.8	178	68.9	0	0	0	0	113.5	G212 M381 Y382 L386 Y387 G388	G212-S384 PolarHBondContact O-OG 2.63Å; M381-S384 WeakPolarHBondContact CB-OG 3.47Å; M381-S384 PolarHBondContact O-N 2.85Å; M381-S384 PolarHBondContact O-OG 3.21Å; Y382-S384 PolarHBondContact O-N 3.41Å; Y382-S384 VanDerWaalsContact O-N 3.16Å; S384-L386 PolarHBondContact O-N 3.02Å; S384-Y387 CarbonylContact O-C 3.29Å; S384-Y387 PolarHBondContact O-N 3.44Å; S384-G388 PolarHBondContact O-N 3.33Å
385	S	98.9	Very high	98.9	Very high	0 Å²	0	4.3 Å²	4.3	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-59.9	-48.3	-177.3	174.2	0	0	0	0	113	T302 Y382 Y387 G388 C389	T302-S385 WeakPolarHBondContact CA-OG 3.47Å; T302-S385 PolarHBondContact N-OG 2.99Å; T302-S385 PolarHBondContact O-OG 2.88Å; Y382-S385 WeakPolarHBondContact O-CB 3.36Å; Y382-S385 PolarHBondContact O-N 2.73Å; S385-Y387 VanDerWaalsContact C-N 3.28Å; S385-Y387 PolarHBondContact O-N 3.17Å; S385-G388 PolarHBondContact O-N 2.88Å; S385-C389 PolarHBondContact O-N 3.39Å
386	L	98.9	Very high	98.9	Very high	3 Å²	3	10.1 Å²	10.1	2%	0.016	5%	0.052	C	C	.	.	H	α-helix	trans	-59.1	-40.3	176.3	172.7	63.8	0	0	0	111.9	I299 F300 S384 C389 L390 A409 F421	I299-L386 HydrophobicContact CB-CD1 4.2Å; I299-L386 HydrophobicContact CD1-CD1 3.81Å; I299-L386 HydrophobicContact CD1-CG 4.49Å; I299-L386 HydrophobicContact CG1-CD1 3.76Å; F300-L386 VanDerWaalsContact C-CD1 3.49Å; S384-L386 PolarHBondContact O-N 3.02Å; L386-C389 VanDerWaalsContact O-CB 3.31Å; L386-C389 WeakPolarHBondContact O-CB 3.38Å; L386-C389 PolarHBondContact O-N 3.17Å; L386-L390 PolarHBondContact O-N 3.11Å; L386-A409 HydrophobicContact CD1-CB 4.38Å; L386-F421 HydrophobicContact CD2-CE1 4.13Å; L386-F421 HydrophobicContact CD2-CZ 4.18Å
387	Y	98.9	Very high	98.9	Very high	1 Å²	1	10.2 Å²	10.2	0%	0.004	5%	0.051	C	C	.	.	H	α-helix	trans	-79.7	-25.7	-177.4	-56.7	-72.9	0	0	0	112.6	T170 L173 C194 M216 T383 S384 S385 C389 L390 A391	T170-Y387 WeakPolarHBondContact CA-OH 3.13Å; T170-Y387 WeakPolarHBondContact CB-OH 3.1Å; T170-Y387 PolarHBondContact N-OH 2.81Å; T170-Y387 PolarHBondContact OG1-OH 2.93Å; L173-Y387 HydrophobicContact CD2-CE1 3.9Å; L173-Y387 WeakPolarHBondContact CD2-OH 3.48Å; C194-Y387 VanDerWaalsContact SG-CD2 3.54Å; M216-Y387 HydrophobicContact CE-CD1 3.54Å; M216-Y387 HydrophobicContact CE-CD2 4.04Å; M216-Y387 HydrophobicContact CE-CE1 3.62Å; M216-Y387 HydrophobicContact CE-CE2 4.11Å; M216-Y387 HydrophobicContact CE-CG 3.74Å; M216-Y387 HydrophobicContact SD-CD1 3.34Å; M216-Y387 WeakPolarHBondContact SD-CD1 3.22Å; M216-Y387 HydrophobicContact SD-CE1 3.69Å; M216-Y387 HydrophobicContact SD-CG 3.95Å; T383-Y387 WeakPolarHBondContact O-CD2 3.45Å; S384-Y387 CarbonylContact O-C 3.29Å; S384-Y387 PolarHBondContact O-N 3.44Å; S385-Y387 VanDerWaalsContact C-N 3.28Å; S385-Y387 PolarHBondContact O-N 3.17Å; Y387-C389 VanDerWaalsContact C-N 3.3Å; Y387-L390 WeakPolarHBondContact O-CB 3.2Å; Y387-L390 PolarHBondContact O-N 2.88Å; Y387-A391 PolarHBondContact O-N 3.44Å
388	G	98.9	Very high	98.9	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-64.4	-35	163.9	0	0	0	0	0	112.4	S384 S385 A391 S392	S384-G388 PolarHBondContact O-N 3.33Å; S385-G388 PolarHBondContact O-N 2.88Å; G388-A391 PolarHBondContact O-N 3.06Å; G388-S392 PolarHBondContact O-N 2.88Å; G388-S392 PolarHBondContact O-OG 2.91Å
389	C	98.9	Very high	98.8	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-67.5	-39.4	170.6	-71.2	0	0	0	0	112.7	I299 T302 S371 S375 S385 L386 Y387 S392 L393	I299-C389 HydrophobicContact CB-CB 4.3Å; T302-C389 PolarHBondContact OG1-SG 3.43Å; S371-C389 WeakPolarHBondContact CB-O 3.29Å; S371-C389 WeakPolarHBondContact O-CA 3.4Å; S371-C389 WeakPolarHBondContact O-CB 3.43Å; S371-C389 PolarHBondContact O-SG 2.72Å; S375-C389 PolarHBondContact OG-SG 3.3Å; S385-C389 PolarHBondContact O-N 3.39Å; L386-C389 VanDerWaalsContact O-CB 3.31Å; L386-C389 WeakPolarHBondContact O-CB 3.38Å; L386-C389 PolarHBondContact O-N 3.17Å; Y387-C389 VanDerWaalsContact C-N 3.3Å; C389-S392 PolarHBondContact O-N 2.76Å; C389-L393 PolarHBondContact O-N 3.32Å
390	L	98.9	Very high	98.8	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-60.7	-45.2	171.5	-178.6	59.5	0	0	0	111.4	I56 L59 L224 I299 L386 Y387 S392 L393 L394 I407	I56-L390 HydrophobicContact CD1-CD2 3.67Å; L59-L390 HydrophobicContact CD1-CD2 3.91Å; L59-L390 HydrophobicContact CD1-CG 4.17Å; L224-L390 HydrophobicContact CD1-CD1 4.1Å; L224-L390 HydrophobicContact CD1-CD2 4.17Å; I299-L390 HydrophobicContact CD1-CB 3.8Å; I299-L390 HydrophobicContact CD1-CD1 4.14Å; I299-L390 HydrophobicContact CD1-CG 4.48Å; L386-L390 PolarHBondContact O-N 3.11Å; Y387-L390 WeakPolarHBondContact O-CB 3.2Å; Y387-L390 PolarHBondContact O-N 2.88Å; L390-S392 VanDerWaalsContact C-N 3.3Å; L390-S392 PolarHBondContact O-N 3.43Å; L390-L393 WeakPolarHBondContact O-CB 3.49Å; L390-L393 PolarHBondContact O-N 3.08Å; L390-L394 HydrophobicContact CD1-CD1 4.44Å; L390-L394 HydrophobicContact CD1-CG 4.42Å; L390-L394 HydrophobicContact CG-CD1 4.16Å; L390-L394 VanDerWaalsContact O-CG 3.31Å; L390-L394 WeakPolarHBondContact O-CG 3.33Å; L390-L394 PolarHBondContact O-N 2.87Å; L390-I407 HydrophobicContact CD1-CD1 4.38Å
391	A	98.9	Very high	98.8	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-60.2	-39.7	176	0	0	0	0	0	112.4	L59 Y387 G388 L394 S395	L59-A391 HydrophobicContact CD2-CB 3.72Å; Y387-A391 PolarHBondContact O-N 3.44Å; G388-A391 PolarHBondContact O-N 3.06Å; A391-L394 PolarHBondContact O-N 3.13Å; A391-S395 WeakPolarHBondContact O-CB 3.31Å; A391-S395 PolarHBondContact O-N 3.31Å
392	S	98.9	Very high	98.8	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.007	12%	0.12	C	C	.	.	H	α-helix	trans	-66.4	-40.1	176.6	-58.9	0	0	0	0	112.2	A370 S371 L374 G388 C389 L390 S395 H396	A370-S392 WeakPolarHBondContact O-CB 3.49Å; S371-S392 WeakPolarHBondContact O-CB 3.46Å; L374-S392 WeakPolarHBondContact CB-OG 3.43Å; L374-S392 PolarHBondContact N-OG 3.12Å; G388-S392 PolarHBondContact O-N 2.88Å; G388-S392 PolarHBondContact O-OG 2.91Å; C389-S392 PolarHBondContact O-N 2.76Å; L390-S392 VanDerWaalsContact C-N 3.3Å; L390-S392 PolarHBondContact O-N 3.43Å; S392-S395 PolarHBondContact O-N 3.47Å; S392-H396 WeakPolarHBondContact O-CB 3.25Å; S392-H396 PolarHBondContact O-N 3.14Å; S392-H396 VanDerWaalsContact O-N 3.11Å
393	L	98.9	Very high	98.8	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.005	13%	0.128	C	C	.	.	H	α-helix	trans	-61.7	-47.6	175	-177.7	72.4	0	0	0	111.1	Y297 I299 C389 L390 S395 H396 H397 L402 I407	Y297-L393 HydrophobicContact CD1-CD1 3.51Å; Y297-L393 HydrophobicContact CD1-CD2 4.47Å; Y297-L393 HydrophobicContact CD2-CD2 4.43Å; Y297-L393 HydrophobicContact CE1-CD1 4Å; Y297-L393 HydrophobicContact CG-CD1 3.9Å; Y297-L393 HydrophobicContact CG-CD2 4Å; I299-L393 HydrophobicContact CG2-CD2 4.16Å; C389-L393 PolarHBondContact O-N 3.32Å; L390-L393 WeakPolarHBondContact O-CB 3.49Å; L390-L393 PolarHBondContact O-N 3.08Å; L393-S395 VanDerWaalsContact C-N 3.31Å; L393-S395 PolarHBondContact O-N 2.72Å; L393-H396 PolarHBondContact O-N 3.39Å; L393-H397 PolarHBondContact O-CD2 3.28Å; L393-H397 PolarHBondContact O-N 3.11Å; L393-L402 HydrophobicContact CG-CD2 4.43Å; L393-I407 HydrophobicContact CD2-CD1 3.87Å; L393-I407 HydrophobicContact CD2-CG1 4.18Å; L393-I407 HydrophobicContact CD2-CG2 4.04Å
394	L	98.9	Very high	98.8	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-62.9	-36.9	177.1	-67.5	169.4	0	0	0	112.2	L224 L390 A391 H396 L402 L438 V439 T442	L224-L394 HydrophobicContact CD1-CD1 4.38Å; L224-L394 HydrophobicContact CD1-CD2 4.33Å; L390-L394 HydrophobicContact CD1-CD1 4.44Å; L390-L394 HydrophobicContact CD1-CG 4.42Å; L390-L394 HydrophobicContact CG-CD1 4.16Å; L390-L394 VanDerWaalsContact O-CG 3.31Å; L390-L394 WeakPolarHBondContact O-CG 3.33Å; L390-L394 PolarHBondContact O-N 2.87Å; A391-L394 PolarHBondContact O-N 3.13Å; L394-H396 VanDerWaalsContact C-N 3.3Å; L394-H396 PolarHBondContact O-N 3.22Å; L394-L402 HydrophobicContact CD2-CD1 3.83Å; L394-L438 HydrophobicContact CD1-CD1 4.12Å; L394-L438 HydrophobicContact CD1-CD2 4.17Å; L394-L438 HydrophobicContact CD1-CG 3.97Å; L394-L438 HydrophobicContact CD2-CD2 4.28Å; L394-L438 HydrophobicContact CD2-CG 4.34Å; L394-V439 HydrophobicContact CD2-CG2 4.15Å; L394-T442 HydrophobicContact CB-CG2 4.14Å; L394-T442 VanDerWaalsContact CB-OG1 3.31Å; L394-T442 WeakPolarHBondContact CB-OG1 3.25Å; L394-T442 HydrophobicContact CD1-CG2 4.4Å; L394-T442 PolarHBondContact O-OG1 2.96Å
395	S	98.8	Very high	98.8	Very high	26 Å²	26	25.1 Å²	25.1	18%	0.182	14%	0.135	C	C	.	.	H	α-helix	trans	-69.3	-28.5	178.2	174.7	0	0	0	0	113.1	A391 S392 L393 T442 P446	A391-S395 WeakPolarHBondContact O-CB 3.31Å; A391-S395 PolarHBondContact O-N 3.31Å; S392-S395 PolarHBondContact O-N 3.47Å; L393-S395 VanDerWaalsContact C-N 3.31Å; L393-S395 PolarHBondContact O-N 2.72Å; S395-T442 WeakPolarHBondContact CA-OG1 3.33Å; S395-T442 WeakPolarHBondContact CB-O 3.17Å; S395-T442 PolarHBondContact N-OG1 2.87Å; S395-T442 VanDerWaalsContact N-OG1 3.12Å; S395-T442 PolarHBondContact OG-O 3.08Å; S395-T442 VanDerWaalsContact OG-O 3.09Å; S395-P446 WeakPolarHBondContact OG-CD 3.39Å
396	H	98.8	Very high	98.8	Very high	122 Å²	122	26.1 Å²	26.1	57%	0.565	14%	0.138	S	C	*	.	H	α-helix	trans	-89.1	-32.8	-172.9	-177.4	-85.6	0	0	0	112.8	A370 S392 L393 L394	A370-H396 HydrophobicContact CB-CB 3.91Å; S392-H396 WeakPolarHBondContact O-CB 3.25Å; S392-H396 PolarHBondContact O-N 3.14Å; S392-H396 VanDerWaalsContact O-N 3.11Å; L393-H396 PolarHBondContact O-N 3.39Å; L394-H396 VanDerWaalsContact C-N 3.3Å; L394-H396 PolarHBondContact O-N 3.22Å
397	H	98.8	Very high	98.8	Very high	26 Å²	26	26 Å²	26	12%	0.12	14%	0.138	C	C	.	.	S	Bend	trans	-106.1	146	-174.6	-69.5	-71	0	0	0	112.4	Y297 L393 E401 L402 V439	Y297-H397 AromaticContact CE1-CD2 3.86Å; Y297-H397 AromaticContact CE1-CE1 3.93Å; Y297-H397 AromaticContact CE1-NE2 3.57Å; L393-H397 PolarHBondContact O-CD2 3.28Å; L393-H397 PolarHBondContact O-N 3.11Å; H397-E401 WeakPolarHBondContact CA-OE2 3.17Å; H397-E401 HydrophobicContact CB-CB 4.33Å; H397-E401 IonicContact CG-OE2 3.44Å; H397-E401 IonicContact ND1-OE2 3.47Å; H397-E401 PolarHBondContact ND1-OE2 3.13Å; H397-L402 HydrophobicContact CB-CD1 4.18Å; H397-L402 HydrophobicContact CB-CD2 3.82Å; H397-L402 HydrophobicContact CB-CG 3.76Å; H397-V439 VanDerWaalsContact O-CG1 3.28Å; H397-V439 WeakPolarHBondContact O-CG1 3.24Å
398	S	98.8	Very high	98.8	Very high	54 Å²	54	25.9 Å²	25.9	38%	0.378	14%	0.137	S	C	.	.			trans	-69.9	158.1	169.1	67.9	0	0	0	0	111.3	Q400 E401 L402	S398-Q400 PolarHBondContact O-N 2.72Å; S398-E401 PolarHBondContact N-OE2 2.77Å; S398-E401 PolarHBondContact O-N 2.7Å; S398-E401 VanDerWaalsContact OG-CG 3.31Å; S398-E401 WeakPolarHBondContact OG-CG 3.39Å; S398-E401 PolarHBondContact OG-N 2.87Å; S398-E401 PolarHBondContact OG-OE2 3.47Å; S398-L402 WeakPolarHBondContact O-CG 3.3Å; S398-L402 PolarHBondContact O-N 2.68Å
399	A	98.6	Very high	98.8	Very high	7 Å²	7	25.9 Å²	25.9	6%	0.058	14%	0.137	C	C	.	.	H	α-helix	trans	-55	-36.6	173.3	0	0	0	0	0	112.1	L402 A403 A429 L435 D436 V439	A399-L402 PolarHBondContact O-N 3.39Å; A399-A403 PolarHBondContact O-N 3.25Å; A399-A429 HydrophobicContact CB-CB 3.88Å; A399-A429 WeakPolarHBondContact O-CB 3.49Å; A399-L435 HydrophobicContact CB-CD2 4.17Å; A399-L435 HydrophobicContact CB-CG 3.93Å; A399-L435 WeakPolarHBondContact O-CD2 3.34Å; A399-D436 HydrophobicContact CB-CB 4.42Å; A399-V439 HydrophobicContact CB-CG2 4.29Å
400	Q	98.6	Very high	98.8	Very high	137 Å²	137	25.9 Å²	25.9	64%	0.64	14%	0.137	S	C	*	.	H	α-helix	trans	-67.9	-36.6	-179.3	-168.2	61	47.7	0	0	113.1	S398 L402	S398-Q400 PolarHBondContact O-N 2.72Å; Q400-L402 VanDerWaalsContact C-N 3.34Å
401	E	98.5	Very high	98.8	Very high	112 Å²	112	26 Å²	26	52%	0.523	14%	0.138	S	C	.	.	H	α-helix	trans	-70	-33.9	175.9	-70.6	168	141.3	0	0	111.8	Y297 H397 S398	Y297-E401 PolarHBondContact OH-O 2.75Å; H397-E401 WeakPolarHBondContact CA-OE2 3.17Å; H397-E401 HydrophobicContact CB-CB 4.33Å; H397-E401 IonicContact CG-OE2 3.44Å; H397-E401 IonicContact ND1-OE2 3.47Å; H397-E401 PolarHBondContact ND1-OE2 3.13Å; S398-E401 PolarHBondContact N-OE2 2.77Å; S398-E401 PolarHBondContact O-N 2.7Å; S398-E401 VanDerWaalsContact OG-CG 3.31Å; S398-E401 WeakPolarHBondContact OG-CG 3.39Å; S398-E401 PolarHBondContact OG-N 2.87Å; S398-E401 PolarHBondContact OG-OE2 3.47Å
402	L	98.7	Very high	98.8	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-80	-24.7	179.3	-64.3	173.3	0	0	0	113	Y297 L393 L394 H397 S398 A399 Q400 G404 S405 V425 V439	Y297-L402 HydrophobicContact CD2-CD2 4.11Å; Y297-L402 HydrophobicContact CE2-CD2 3.52Å; L393-L402 HydrophobicContact CG-CD2 4.43Å; L394-L402 HydrophobicContact CD2-CD1 3.83Å; H397-L402 HydrophobicContact CB-CD1 4.18Å; H397-L402 HydrophobicContact CB-CD2 3.82Å; H397-L402 HydrophobicContact CB-CG 3.76Å; S398-L402 WeakPolarHBondContact O-CG 3.3Å; S398-L402 PolarHBondContact O-N 2.68Å; A399-L402 PolarHBondContact O-N 3.39Å; Q400-L402 VanDerWaalsContact C-N 3.34Å; L402-G404 PolarHBondContact O-N 2.86Å; L402-S405 WeakPolarHBondContact O-CB 3.46Å; L402-S405 PolarHBondContact O-N 3.33Å; L402-S405 VanDerWaalsContact O-N 3.08Å; L402-S405 PolarHBondContact O-OG 3.37Å; L402-V425 HydrophobicContact CB-CG1 4.13Å; L402-V425 WeakPolarHBondContact O-CB 3.11Å; L402-V425 VanDerWaalsContact O-CG1 3.25Å; L402-V425 WeakPolarHBondContact O-CG1 3.41Å; L402-V439 HydrophobicContact CD1-CG2 3.64Å
403	A	98.8	Very high	98.8	Very high	21 Å²	21	26.2 Å²	26.2	17%	0.174	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	130.1	-170.9	0	0	0	0	0	112.9	A399 S405 S426 A429 L435	A399-A403 PolarHBondContact O-N 3.25Å; A403-S405 PolarHBondContact O-N 3.02Å; A403-S426 VanDerWaalsContact CA-O 3.32Å; A403-S426 WeakPolarHBondContact CA-O 3.23Å; A403-A429 HydrophobicContact CB-CB 3.97Å; A403-L435 HydrophobicContact CB-CD2 4.45Å
404	G	98.4	Very high	98.8	Very high	12 Å²	12	27 Å²	27	12%	0.124	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.5	-2.4	178.1	0	0	0	0	0	115.7	L402 R424 V425 S426 Q427	L402-G404 PolarHBondContact O-N 2.86Å; G404-R424 PolarHBondContact O-NH1 2.93Å; G404-V425 WeakPolarHBondContact CA-O 3.23Å; G404-V425 PolarHBondContact N-O 3.17Å; G404-S426 PolarHBondContact N-O 3.44Å; G404-Q427 VanDerWaalsContact CA-CD 3.44Å; G404-Q427 VanDerWaalsContact CA-NE2 3.31Å
405	S	98.9	Very high	98.8	Very high	5 Å²	5	28.1 Å²	28.1	4%	0.035	16%	0.156	C	C	.	.			trans	-72.1	161.7	-176.7	75.6	0	0	0	0	113	L402 A403 R424 V425	L402-S405 WeakPolarHBondContact O-CB 3.46Å; L402-S405 PolarHBondContact O-N 3.33Å; L402-S405 VanDerWaalsContact O-N 3.08Å; L402-S405 PolarHBondContact O-OG 3.37Å; A403-S405 PolarHBondContact O-N 3.02Å; S405-R424 VanDerWaalsContact C-NH1 3.33Å; S405-R424 PolarHBondContact O-NH1 2.77Å; S405-V425 PolarHBondContact O-N 3.31Å; S405-V425 WeakPolarHBondContact OG-CG2 3.43Å
406	R	98.9	Very high	98.8	Very high	20 Å²	20	27.1 Å²	27.1	8%	0.075	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	125.5	167.1	-174.8	178.1	-79.1	126.4	-5	109.7	E227 D294 L295 Q296 Y297 F423 R424	E227-R406 IonicContact OE1-CZ 2.7Å; E227-R406 IonicContact OE1-NE 2.66Å; E227-R406 PolarHBondContact OE1-NE 2.82Å; E227-R406 VanDerWaalsContact OE1-NE 3.14Å; E227-R406 IonicContact OE1-NH2 3.6Å; E227-R406 PolarHBondContact OE1-NH2 2.66Å; E227-R406 WeakPolarHBondContact OE2-CD 3.43Å; E227-R406 IonicContact OE2-CZ 2.73Å; E227-R406 IonicContact OE2-NE 2.88Å; E227-R406 PolarHBondContact OE2-NE 2.87Å; E227-R406 IonicContact OE2-NH2 3.33Å; D294-R406 WeakPolarHBondContact O-CD 3.21Å; D294-R406 PolarHBondContact O-NH1 2.87Å; L295-R406 HydrophobicContact CD2-CB 4.46Å; L295-R406 HydrophobicContact CD2-CG 3.73Å; Q296-R406 PolarHBondContact N-O 2.86Å; Q296-R406 VanDerWaalsContact N-O 3.12Å; Y297-R406 PolarHBondContact N-O 3.33Å; R406-F423 WeakPolarHBondContact CA-O 3.46Å; R406-R424 VanDerWaalsContact NE-NH2 3.16Å
407	I	98.9	Very high	98.8	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	109.6	173	-54.7	170.8	0	0	0	107.9	L224 Y297 I299 L390 L393 S422 F423 V425	L224-I407 HydrophobicContact CD2-CD1 4.16Å; Y297-I407 HydrophobicContact CD2-CG1 4.08Å; Y297-I407 WeakPolarHBondContact O-CA 3.32Å; I299-I407 HydrophobicContact CD1-CG2 4.23Å; I299-I407 HydrophobicContact CG1-CG2 4.08Å; I299-I407 HydrophobicContact CG2-CG2 4.4Å; L390-I407 HydrophobicContact CD1-CD1 4.38Å; L393-I407 HydrophobicContact CD2-CD1 3.87Å; L393-I407 HydrophobicContact CD2-CG1 4.18Å; L393-I407 HydrophobicContact CD2-CG2 4.04Å; I407-S422 CarbonylContact O-C 3.51Å; I407-S422 WeakPolarHBondContact O-CA 3.36Å; I407-F423 HydrophobicContact CB-CB 4.4Å; I407-F423 PolarHBondContact N-O 2.97Å; I407-F423 PolarHBondContact O-N 3.4Å; I407-V425 HydrophobicContact CD1-CG2 3.63Å; I407-V425 HydrophobicContact CG1-CG2 3.96Å
408	G	98.9	Very high	98.8	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	141.8	169.5	0	0	0	0	0	110.5	Y297 M298 I299	Y297-G408 PolarHBondContact O-N 2.71Å; M298-G408 WeakPolarHBondContact CA-O 3.33Å; I299-G408 WeakPolarHBondContact CG1-O 3.32Å; I299-G408 PolarHBondContact N-O 3.34Å
409	A	98.9	Very high	98.8	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	124.7	-177.7	0	0	0	0	0	110.7	I299 L386 F420 F421 F423	I299-A409 HydrophobicContact CD1-CB 4.15Å; I299-A409 HydrophobicContact CG1-CB 3.87Å; I299-A409 WeakPolarHBondContact O-CA 3.34Å; L386-A409 HydrophobicContact CD1-CB 4.38Å; A409-F420 CarbonylContact O-C 3.57Å; A409-F420 WeakPolarHBondContact O-CA 3.46Å; A409-F421 HydrophobicContact CB-CD1 4.11Å; A409-F421 HydrophobicContact CB-CD2 4.21Å; A409-F421 HydrophobicContact CB-CE1 3.73Å; A409-F421 HydrophobicContact CB-CE2 3.87Å; A409-F421 HydrophobicContact CB-CG 4.34Å; A409-F421 HydrophobicContact CB-CZ 3.6Å; A409-F421 PolarHBondContact N-O 2.92Å; A409-F421 WeakPolarHBondContact O-CD1 3.22Å; A409-F421 PolarHBondContact O-N 3.48Å; A409-F423 HydrophobicContact CB-CE2 4.3Å
410	F	98.9	Very high	98.8	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	113.9	173.7	178.8	-110.4	0	0	0	110.9	Y262 A265 L266 C269 M298 I299 F300 H301 Y412 A418 F420	Y262-F410 AromaticContact CD1-CE1 3.98Å; Y262-F410 HydrophobicContact CD1-CE1 3.98Å; Y262-F410 HydrophobicContact CD2-CE1 4.47Å; Y262-F410 AromaticContact CE1-CD1 3.95Å; Y262-F410 HydrophobicContact CE1-CD1 3.95Å; Y262-F410 AromaticContact CE1-CE1 3.48Å; Y262-F410 HydrophobicContact CE1-CE1 3.48Å; Y262-F410 VanDerWaalsContact CE1-CE1 3.48Å; Y262-F410 HydrophobicContact CE2-CE1 4.06Å; Y262-F410 HydrophobicContact CG-CE1 4.45Å; Y262-F410 AromaticContact CZ-CD1 3.79Å; Y262-F410 AromaticContact CZ-CE1 3.54Å; A265-F410 HydrophobicContact CB-CZ 4.3Å; L266-F410 HydrophobicContact CB-CE1 4.05Å; L266-F410 HydrophobicContact CB-CE2 4.13Å; L266-F410 HydrophobicContact CB-CZ 3.77Å; L266-F410 HydrophobicContact CD1-CB 4.1Å; L266-F410 HydrophobicContact CD1-CD1 3.78Å; L266-F410 HydrophobicContact CD1-CD2 3.62Å; L266-F410 HydrophobicContact CD1-CE1 4.03Å; L266-F410 HydrophobicContact CD1-CE2 3.9Å; L266-F410 HydrophobicContact CD1-CG 3.54Å; L266-F410 HydrophobicContact CD1-CZ 4.09Å; C269-F410 HydrophobicContact CB-CD2 4.28Å; C269-F410 HydrophobicContact CB-CE2 3.93Å; M298-F410 HydrophobicContact CE-CB 3.6Å; I299-F410 PolarHBondContact O-N 3.05Å; F300-F410 CarbonylContact C-O 3.57Å; F300-F410 WeakPolarHBondContact CA-O 3.28Å; F300-F410 HydrophobicContact CD1-CB 3.76Å; F300-F410 AromaticContact CD1-CD1 3.96Å; F300-F410 HydrophobicContact CD1-CD1 3.96Å; F300-F410 HydrophobicContact CD1-CG 4.26Å; F300-F410 HydrophobicContact CE1-CB 4.23Å; H301-F410 PolarHBondContact N-O 3.09Å; F410-Y412 HydrophobicContact CZ-CD2 4.27Å; F410-A418 HydrophobicContact CE2-CB 4Å; F410-A418 HydrophobicContact CZ-CB 4.12Å; F410-F420 HydrophobicContact CB-CD2 4.21Å; F410-F420 HydrophobicContact CD2-CB 4.3Å; F410-F420 HydrophobicContact CD2-CD2 4.38Å
411	S	98.9	Very high	98.8	Very high	1 Å²	1	10.9 Å²	10.9	1%	0.007	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	136.1	173	-169.5	0	0	0	0	110.3	Y167 T170 A418 S419	Y167-S411 WeakPolarHBondContact CD2-OG 3.5Å; T170-S411 WeakPolarHBondContact CB-OG 3.32Å; T170-S411 WeakPolarHBondContact OG1-CB 3.33Å; T170-S411 PolarHBondContact OG1-OG 3.27Å; S411-A418 CarbonylContact O-C 3.57Å; S411-A418 WeakPolarHBondContact O-CA 3.36Å; S411-A418 WeakPolarHBondContact O-CB 3.27Å; S411-S419 PolarHBondContact N-O 3.34Å; S411-S419 PolarHBondContact O-N 2.53Å
412	Y	98.9	Very high	98.8	Very high	7 Å²	7	5.6 Å²	5.6	3%	0.027	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	137.6	179.7	176.9	-93.5	0	0	0	109.3	C166 D240 C261 Y262 A265 F410 S414 L416 A418	C166-Y412 VanDerWaalsContact CB-O 3.25Å; C166-Y412 WeakPolarHBondContact CB-O 3.39Å; D240-Y412 PolarHBondContact OD2-OH 3.11Å; C261-Y412 VanDerWaalsContact CB-OH 3.23Å; C261-Y412 WeakPolarHBondContact CB-OH 3.16Å; Y262-Y412 AromaticContact CD2-CD1 3.53Å; Y262-Y412 HydrophobicContact CD2-CD1 3.53Å; Y262-Y412 HydrophobicContact CD2-CD2 4.25Å; Y262-Y412 HydrophobicContact CD2-CE1 4.08Å; Y262-Y412 AromaticContact CD2-CG 3.63Å; Y262-Y412 HydrophobicContact CD2-CG 3.63Å; Y262-Y412 HydrophobicContact CE2-CD1 4.22Å; Y262-Y412 HydrophobicContact CE2-CG 4.14Å; Y262-Y412 HydrophobicContact CG-CD1 4.35Å; Y262-Y412 HydrophobicContact CG-CD2 4.43Å; Y262-Y412 HydrophobicContact CG-CG 4.25Å; A265-Y412 HydrophobicContact CB-CD2 3.86Å; A265-Y412 HydrophobicContact CB-CE2 3.84Å; F410-Y412 HydrophobicContact CZ-CD2 4.27Å; Y412-S414 WeakPolarHBondContact CE1-OG 3.37Å; Y412-L416 HydrophobicContact CE2-CB 4.07Å; Y412-L416 HydrophobicContact CE2-CD1 4.27Å; Y412-L416 HydrophobicContact CE2-CD2 4.09Å; Y412-L416 HydrophobicContact CE2-CG 4.38Å; Y412-A418 HydrophobicContact CD2-CB 4.04Å
413	G	98.8	Very high	98.8	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	133.8	163.9	0	0	0	0	0	109.4	L416 A417	G413-L416 CarbonylContact O-C 3.58Å; G413-L416 WeakPolarHBondContact O-CA 3.12Å; G413-L416 WeakPolarHBondContact O-CB 3.12Å; G413-A417 PolarHBondContact N-O 2.81Å; G413-A417 PolarHBondContact O-N 2.93Å
414	S	98.7	Very high	98.8	Very high	17 Å²	17	8.2 Å²	8.2	12%	0.119	5%	0.047	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	159.5	178.2	-70.5	0	0	0	0	113.7	N164 A165 D240 F241 Y412 L416	N164-S414 PolarHBondContact ND2-O 2.99Å; N164-S414 VanDerWaalsContact ND2-O 3.13Å; A165-S414 WeakPolarHBondContact CB-O 3.25Å; D240-S414 WeakPolarHBondContact OD1-CB 3.2Å; D240-S414 VanDerWaalsContact OD2-CB 3.22Å; D240-S414 WeakPolarHBondContact OD2-CB 3.44Å; D240-S414 PolarHBondContact OD2-OG 2.69Å; F241-S414 WeakPolarHBondContact O-CB 3.17Å; Y412-S414 WeakPolarHBondContact CE1-OG 3.37Å; S414-L416 VanDerWaalsContact C-CA 3.41Å
415	G	98.4	Very high	98.9	Very high	24 Å²	24	7.8 Å²	7.8	25%	0.247	4%	0.042	C	C	.	.	T	Hydrogen-bonded Turn	trans	111.1	-32.3	-175.3	0	0	0	0	0	117.8	E236 V238 D240	E236-G415 CarbonylContact O-C 3.42Å; V238-G415 VanDerWaalsContact CG2-C 3.42Å; V238-G415 WeakPolarHBondContact CG2-O 3.35Å; V238-G415 PolarHBondContact N-O 3.33Å; V238-G415 VanDerWaalsContact O-O 3.07Å; D240-G415 PolarHBondContact OD1-N 3.41Å
416	L	98.6	Very high	98.9	Very high	4 Å²	4	9.3 Å²	9.3	2%	0.021	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	cis	-129.8	155.9	-7.3	69.9	86.1	0	0	0	111.4	M235 E236 V238 C261 A265 Y412 G413 S414	M235-L416 WeakPolarHBondContact CA-O 3.39Å; E236-L416 HydrophobicContact CG-CD1 3.94Å; E236-L416 HydrophobicContact CG-CD2 3.6Å; E236-L416 HydrophobicContact CG-CG 3.52Å; E236-L416 PolarHBondContact N-O 3.3Å; E236-L416 PolarHBondContact O-N 2.99Å; V238-L416 HydrophobicContact CG2-CB 3.91Å; V238-L416 HydrophobicContact CG2-CD2 3.78Å; V238-L416 HydrophobicContact CG2-CG 4Å; C261-L416 HydrophobicContact CB-CD2 3.71Å; A265-L416 HydrophobicContact CB-CD1 3.86Å; A265-L416 HydrophobicContact CB-CD2 4.46Å; Y412-L416 HydrophobicContact CE2-CB 4.07Å; Y412-L416 HydrophobicContact CE2-CD1 4.27Å; Y412-L416 HydrophobicContact CE2-CD2 4.09Å; Y412-L416 HydrophobicContact CE2-CG 4.38Å; G413-L416 CarbonylContact O-C 3.58Å; G413-L416 WeakPolarHBondContact O-CA 3.12Å; G413-L416 WeakPolarHBondContact O-CB 3.12Å; S414-L416 VanDerWaalsContact C-CA 3.41Å
417	A	98.9	Very high	98.8	Very high	4 Å²	4	15.4 Å²	15.4	3%	0.033	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	134	168.2	0	0	0	0	0	110.1	N164 Y167 M235 G413	N164-A417 HydrophobicContact CB-CB 4.48Å; Y167-A417 HydrophobicContact CD1-CB 3.86Å; Y167-A417 HydrophobicContact CE1-CB 4.32Å; Y167-A417 HydrophobicContact CG-CB 4Å; M235-A417 HydrophobicContact CE-CB 4.17Å; M235-A417 HydrophobicContact CG-CB 4.02Å; M235-A417 HydrophobicContact SD-CB 4.37Å; G413-A417 PolarHBondContact N-O 2.81Å; G413-A417 PolarHBondContact O-N 2.93Å
418	A	98.9	Very high	98.8	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	150.8	-179.3	0	0	0	0	0	112.2	T233 H234 A265 C269 F410 S411 Y412	T233-A418 WeakPolarHBondContact CA-O 3.21Å; T233-A418 WeakPolarHBondContact CG2-O 3.36Å; H234-A418 PolarHBondContact N-O 2.91Å; H234-A418 PolarHBondContact O-N 3.11Å; A265-A418 HydrophobicContact CB-CB 3.78Å; C269-A418 PolarHBondContact SG-O 3.18Å; F410-A418 HydrophobicContact CE2-CB 4Å; F410-A418 HydrophobicContact CZ-CB 4.12Å; S411-A418 CarbonylContact O-C 3.57Å; S411-A418 WeakPolarHBondContact O-CA 3.36Å; S411-A418 WeakPolarHBondContact O-CB 3.27Å; Y412-A418 HydrophobicContact CD2-CB 4.04Å
419	S	98.9	Very high	98.8	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	134.9	171	-71.3	0	0	0	0	111.5	Y167 G232 T233 S411	Y167-S419 PolarHBondContact OH-OG 2.91Å; G232-S419 CarbonylContact O-C 3.23Å; G232-S419 WeakPolarHBondContact O-CA 3.49Å; T233-S419 PolarHBondContact OG1-OG 3.07Å; S411-S419 PolarHBondContact N-O 3.34Å; S411-S419 PolarHBondContact O-N 2.53Å
420	F	98.9	Very high	98.8	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	126.1	161	-165.6	-65.5	0	0	0	108.5	G232 L266 C269 Y270 Y273 L295 M298 L315 A409 F410	G232-F420 PolarHBondContact N-O 3.08Å; G232-F420 PolarHBondContact O-N 2.74Å; L266-F420 HydrophobicContact CD1-CD2 4.39Å; C269-F420 HydrophobicContact CB-CB 3.68Å; Y270-F420 HydrophobicContact CD2-CD2 4.04Å; Y270-F420 AromaticContact CD2-CE2 3.68Å; Y270-F420 HydrophobicContact CD2-CE2 3.68Å; Y270-F420 AromaticContact CD2-CZ 3.98Å; Y270-F420 HydrophobicContact CD2-CZ 3.98Å; Y270-F420 HydrophobicContact CE2-CE2 4.27Å; Y270-F420 HydrophobicContact CE2-CZ 4.23Å; Y273-F420 AromaticContact CD1-CD1 3.95Å; Y273-F420 HydrophobicContact CD1-CD1 3.95Å; Y273-F420 AromaticContact CD1-CE1 3.93Å; Y273-F420 HydrophobicContact CD1-CE1 3.93Å; Y273-F420 AromaticContact CD2-CD1 3.54Å; Y273-F420 HydrophobicContact CD2-CD1 3.54Å; Y273-F420 HydrophobicContact CD2-CE1 4.08Å; Y273-F420 HydrophobicContact CE1-CD1 4.43Å; Y273-F420 HydrophobicContact CE1-CE1 4.08Å; Y273-F420 HydrophobicContact CE2-CD1 4.02Å; Y273-F420 HydrophobicContact CE2-CE1 4.17Å; Y273-F420 AromaticContact CG-CD1 3.49Å; Y273-F420 HydrophobicContact CG-CD1 3.49Å; Y273-F420 VanDerWaalsContact CG-CD1 3.49Å; Y273-F420 AromaticContact CG-CE1 3.95Å; Y273-F420 HydrophobicContact CG-CE1 3.95Å; Y273-F420 HydrophobicContact CG-CG 4.37Å; L295-F420 HydrophobicContact CD1-CZ 3.87Å; M298-F420 HydrophobicContact CE-CD2 3.97Å; M298-F420 HydrophobicContact CE-CE2 3.27Å; M298-F420 HydrophobicContact CE-CZ 3.73Å; M298-F420 HydrophobicContact SD-CE1 4.46Å; M298-F420 HydrophobicContact SD-CE2 3.58Å; M298-F420 VanDerWaalsContact SD-CE2 3.58Å; M298-F420 HydrophobicContact SD-CZ 3.41Å; M298-F420 WeakPolarHBondContact SD-CZ 3.49Å; L315-F420 HydrophobicContact CD1-CE2 3.99Å; A409-F420 CarbonylContact O-C 3.57Å; A409-F420 WeakPolarHBondContact O-CA 3.46Å; F410-F420 HydrophobicContact CB-CD2 4.21Å; F410-F420 HydrophobicContact CD2-CB 4.3Å; F410-F420 HydrophobicContact CD2-CD2 4.38Å
421	F	98.9	Very high	98.7	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.009	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	-179.2	177.4	64.6	-77.9	0	0	0	110	T170 L173 F174 L226 L230 R231 L386 A409 F423	T170-F421 HydrophobicContact CG2-CD1 4.43Å; T170-F421 HydrophobicContact CG2-CE1 3.8Å; T170-F421 HydrophobicContact CG2-CZ 4.28Å; L173-F421 HydrophobicContact CD2-CE2 4.09Å; L173-F421 HydrophobicContact CD2-CZ 4.24Å; F174-F421 HydrophobicContact CE1-CB 4.41Å; F174-F421 HydrophobicContact CE1-CD1 4.14Å; F174-F421 HydrophobicContact CE1-CD2 4.05Å; F174-F421 HydrophobicContact CE1-CE1 4.42Å; F174-F421 HydrophobicContact CE1-CE2 4.3Å; F174-F421 AromaticContact CE1-CG 3.95Å; F174-F421 HydrophobicContact CE1-CG 3.95Å; F174-F421 HydrophobicContact CE1-CZ 4.5Å; F174-F421 HydrophobicContact CZ-CB 4.11Å; F174-F421 AromaticContact CZ-CD1 3.71Å; F174-F421 HydrophobicContact CZ-CD1 3.71Å; F174-F421 HydrophobicContact CZ-CD2 4.39Å; F174-F421 HydrophobicContact CZ-CE1 4.2Å; F174-F421 AromaticContact CZ-CG 3.82Å; F174-F421 HydrophobicContact CZ-CG 3.82Å; L226-F421 HydrophobicContact CD2-CD2 3.7Å; L226-F421 HydrophobicContact CD2-CE2 3.89Å; L230-F421 WeakPolarHBondContact O-CA 3.37Å; R231-F421 HydrophobicContact CG-CB 4.37Å; L386-F421 HydrophobicContact CD2-CE1 4.13Å; L386-F421 HydrophobicContact CD2-CZ 4.18Å; A409-F421 HydrophobicContact CB-CD1 4.11Å; A409-F421 HydrophobicContact CB-CD2 4.21Å; A409-F421 HydrophobicContact CB-CE1 3.73Å; A409-F421 HydrophobicContact CB-CE2 3.87Å; A409-F421 HydrophobicContact CB-CG 4.34Å; A409-F421 HydrophobicContact CB-CZ 3.6Å; A409-F421 PolarHBondContact N-O 2.92Å; A409-F421 WeakPolarHBondContact O-CD1 3.22Å; A409-F421 PolarHBondContact O-N 3.48Å; F421-F423 HydrophobicContact CD2-CE2 4.29Å; F421-F423 HydrophobicContact CD2-CZ 4.41Å; F421-F423 HydrophobicContact CE2-CD2 4.33Å; F421-F423 HydrophobicContact CE2-CE1 4.32Å; F421-F423 AromaticContact CE2-CE2 3.49Å; F421-F423 HydrophobicContact CE2-CE2 3.49Å; F421-F423 VanDerWaalsContact CE2-CE2 3.49Å; F421-F423 AromaticContact CE2-CZ 3.51Å; F421-F423 HydrophobicContact CE2-CZ 3.51Å; F421-F423 HydrophobicContact CZ-CE2 4.21Å; F421-F423 HydrophobicContact CZ-CZ 4.31Å
422	S	98.9	Very high	98.7	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.007	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	154.9	-179.1	56.9	0	0	0	0	113.3	E227 Y273 I407	E227-S422 WeakPolarHBondContact CB-OG 3.48Å; E227-S422 PolarHBondContact N-O 3.03Å; E227-S422 VanDerWaalsContact OE2-CB 3.27Å; E227-S422 WeakPolarHBondContact OE2-CB 3.47Å; E227-S422 PolarHBondContact OE2-OG 3.15Å; Y273-S422 WeakPolarHBondContact CE2-OG 3.42Å; Y273-S422 VanDerWaalsContact OH-CB 3.27Å; Y273-S422 WeakPolarHBondContact OH-CB 3.47Å; Y273-S422 PolarHBondContact OH-OG 2.79Å; I407-S422 CarbonylContact O-C 3.51Å; I407-S422 WeakPolarHBondContact O-CA 3.36Å
423	F	98.9	Very high	98.7	Very high	1 Å²	1	30 Å²	30	0%	0.004	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	142.4	167.1	-57	-86.6	0	0	0	110.3	I56 L173 L224 A225 L226 R406 I407 A409 F421	I56-F423 HydrophobicContact CD1-CE1 3.74Å; I56-F423 HydrophobicContact CD1-CZ 3.73Å; I56-F423 HydrophobicContact CG1-CE1 4.22Å; L173-F423 HydrophobicContact CD2-CE1 4.48Å; L173-F423 HydrophobicContact CD2-CZ 4.06Å; L224-F423 HydrophobicContact CB-CD1 4.28Å; A225-F423 CarbonylContact O-C 3.57Å; A225-F423 WeakPolarHBondContact O-CA 3.44Å; L226-F423 HydrophobicContact CD2-CD1 3.75Å; L226-F423 HydrophobicContact CD2-CE1 3.39Å; L226-F423 HydrophobicContact CD2-CZ 3.99Å; L226-F423 HydrophobicContact CG-CD1 4.1Å; L226-F423 HydrophobicContact CG-CE1 3.86Å; R406-F423 WeakPolarHBondContact CA-O 3.46Å; I407-F423 HydrophobicContact CB-CB 4.4Å; I407-F423 PolarHBondContact N-O 2.97Å; I407-F423 PolarHBondContact O-N 3.4Å; A409-F423 HydrophobicContact CB-CE2 4.3Å; F421-F423 HydrophobicContact CD2-CE2 4.29Å; F421-F423 HydrophobicContact CD2-CZ 4.41Å; F421-F423 HydrophobicContact CE2-CD2 4.33Å; F421-F423 HydrophobicContact CE2-CE1 4.32Å; F421-F423 AromaticContact CE2-CE2 3.49Å; F421-F423 HydrophobicContact CE2-CE2 3.49Å; F421-F423 VanDerWaalsContact CE2-CE2 3.49Å; F421-F423 AromaticContact CE2-CZ 3.51Å; F421-F423 HydrophobicContact CE2-CZ 3.51Å; F421-F423 HydrophobicContact CZ-CE2 4.21Å; F421-F423 HydrophobicContact CZ-CZ 4.31Å
424	R	98.9	Very high	98.7	Very high	75 Å²	75	32.9 Å²	32.9	28%	0.283	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	123.5	161.4	178.3	56.9	54.6	-169	-5	108.4	A225 E227 G404 S405 R406	A225-R424 PolarHBondContact N-O 3.35Å; A225-R424 PolarHBondContact O-N 2.97Å; E227-R424 HydrophobicContact CG-CB 3.9Å; E227-R424 IonicContact OE1-CZ 3.74Å; E227-R424 IonicContact OE1-NE 3.98Å; E227-R424 IonicContact OE1-NH2 2.77Å; E227-R424 PolarHBondContact OE1-NH2 3.41Å; G404-R424 PolarHBondContact O-NH1 2.93Å; S405-R424 VanDerWaalsContact C-NH1 3.33Å; S405-R424 PolarHBondContact O-NH1 2.77Å; R406-R424 VanDerWaalsContact NE-NH2 3.16Å
425	V	98.9	Very high	98.7	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.012	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	139.1	172.8	-170.8	0	0	0	0	109.7	P223 L224 L402 G404 S405 I407 L435	P223-V425 CarbonylContact O-C 3.58Å; P223-V425 WeakPolarHBondContact O-CA 3.28Å; L224-V425 HydrophobicContact CD2-CB 4.29Å; L224-V425 HydrophobicContact CD2-CG1 4.08Å; L224-V425 HydrophobicContact CD2-CG2 3.71Å; L402-V425 HydrophobicContact CB-CG1 4.13Å; L402-V425 WeakPolarHBondContact O-CB 3.11Å; L402-V425 VanDerWaalsContact O-CG1 3.25Å; L402-V425 WeakPolarHBondContact O-CG1 3.41Å; G404-V425 WeakPolarHBondContact CA-O 3.23Å; G404-V425 PolarHBondContact N-O 3.17Å; S405-V425 PolarHBondContact O-N 3.31Å; S405-V425 WeakPolarHBondContact OG-CG2 3.43Å; I407-V425 HydrophobicContact CD1-CG2 3.63Å; I407-V425 HydrophobicContact CG1-CG2 3.96Å; V425-L435 HydrophobicContact CG1-CD1 3.61Å; V425-L435 HydrophobicContact CG1-CD2 3.58Å; V425-L435 HydrophobicContact CG1-CG 4.25Å
426	S	98.6	Very high	98.7	Very high	38 Å²	38	33.1 Å²	33.1	27%	0.266	20%	0.197	S	C	.	.	P	Polyproline II helix	trans	-53.3	148	172.5	179.1	0	0	0	0	111.5	P223 A403 G404 D428	P223-S426 PolarHBondContact O-N 3.13Å; A403-S426 VanDerWaalsContact CA-O 3.32Å; A403-S426 WeakPolarHBondContact CA-O 3.23Å; G404-S426 PolarHBondContact N-O 3.44Å; S426-D428 VanDerWaalsContact C-N 3.33Å; S426-D428 PolarHBondContact OG-N 3.45Å; S426-D428 VanDerWaalsContact OG-N 3.08Å
427	Q	98.6	Very high	98.7	Very high	147 Å²	147	39.5 Å²	39.5	69%	0.687	23%	0.225	S	C	*	.	S	Bend	trans	-77	-23.8	171.3	-64.4	-69.7	-4.5	0	0	112	G404 A429	G404-Q427 VanDerWaalsContact CA-CD 3.44Å; G404-Q427 VanDerWaalsContact CA-NE2 3.31Å; Q427-A429 PolarHBondContact O-N 3.21Å
428	D	98.4	Very high	98.7	Very high	70 Å²	70	39.4 Å²	39.4	37%	0.374	22%	0.224	S	C	.	.			trans	-78.5	105.7	179.1	179.8	19.8	0	0	0	110.4	S426 S430 S433 L435	S426-D428 VanDerWaalsContact C-N 3.33Å; S426-D428 PolarHBondContact OG-N 3.45Å; S426-D428 VanDerWaalsContact OG-N 3.08Å; D428-S430 VanDerWaalsContact OD1-CB 3.3Å; D428-S430 WeakPolarHBondContact OD1-CB 3.06Å; D428-S430 PolarHBondContact OD1-N 3.29Å; D428-S430 PolarHBondContact OD1-OG 2.87Å; D428-S433 PolarHBondContact O-OG 3.08Å; D428-S433 VanDerWaalsContact OD2-CB 3.28Å; D428-S433 WeakPolarHBondContact OD2-CB 3.39Å; D428-L435 WeakPolarHBondContact O-CB 3.19Å
429	A	98.4	Very high	98.7	Very high	16 Å²	16	40 Å²	40	13%	0.132	23%	0.228	C	C	.	.			trans	-114.2	18.5	173.8	0	0	0	0	0	112.2	A399 A403 Q427 L435	A399-A429 HydrophobicContact CB-CB 3.88Å; A399-A429 WeakPolarHBondContact O-CB 3.49Å; A403-A429 HydrophobicContact CB-CB 3.97Å; Q427-A429 PolarHBondContact O-N 3.21Å; A429-L435 HydrophobicContact CB-CD2 4.19Å
430	S	98.4	Very high	98.7	Very high	58 Å²	58	42.9 Å²	42.9	41%	0.406	25%	0.247	S	C	.	.	S	Bend	trans	-64.1	152.3	178.6	62.5	0	0	0	0	111.5	D428 G432 S433 D436	D428-S430 VanDerWaalsContact OD1-CB 3.3Å; D428-S430 WeakPolarHBondContact OD1-CB 3.06Å; D428-S430 PolarHBondContact OD1-N 3.29Å; D428-S430 PolarHBondContact OD1-OG 2.87Å; S430-G432 PolarHBondContact O-N 3Å; S430-S433 WeakPolarHBondContact O-CB 3.4Å; S430-S433 PolarHBondContact O-N 2.98Å; S430-S433 PolarHBondContact O-OG 2.99Å; S430-D436 WeakPolarHBondContact O-CB 3.47Å
431	P	98.4	Very high	98.7	Very high	125 Å²	125	43.9 Å²	43.9	81%	0.812	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	128.6	175.5	-27.2	35.6	0	0	0	111.9	S433	P431-S433 VanDerWaalsContact C-N 3.29Å; P431-S433 PolarHBondContact O-N 3.45Å
432	G	97.9	Very high	98.6	Very high	41 Å²	41	44.1 Å²	44.1	42%	0.423	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.2	-3.7	-176.5	0	0	0	0	0	115.5	S430 D436 K437	S430-G432 PolarHBondContact O-N 3Å; G432-D436 PolarHBondContact N-OD2 3.31Å; G432-K437 WeakPolarHBondContact O-CE 3.18Å
433	S	98.7	Very high	98.5	Very high	5 Å²	5	47.7 Å²	47.7	4%	0.035	28%	0.281	C	S	.	.	S	Bend	trans	-59.5	161.5	170.7	66.2	0	0	0	0	111.8	D428 S430 P431 L435 D436 K437	D428-S433 PolarHBondContact O-OG 3.08Å; D428-S433 VanDerWaalsContact OD2-CB 3.28Å; D428-S433 WeakPolarHBondContact OD2-CB 3.39Å; S430-S433 WeakPolarHBondContact O-CB 3.4Å; S430-S433 PolarHBondContact O-N 2.98Å; S430-S433 PolarHBondContact O-OG 2.99Å; P431-S433 VanDerWaalsContact C-N 3.29Å; P431-S433 PolarHBondContact O-N 3.45Å; S433-L435 PolarHBondContact O-N 2.89Å; S433-D436 PolarHBondContact O-N 3.41Å; S433-D436 WeakPolarHBondContact OG-CB 3.32Å; S433-D436 PolarHBondContact OG-N 3.25Å; S433-D436 VanDerWaalsContact OG-N 3.16Å; S433-K437 WeakPolarHBondContact O-CG 3.31Å; S433-K437 PolarHBondContact O-N 3.34Å
434	P	98.8	Very high	98.5	Very high	61 Å²	61	50.4 Å²	50.4	40%	0.396	30%	0.296	S	S	.	.	H	α-helix	trans	-56	-36.1	174.4	-26.4	35.8	0	0	0	113.3	P223 L438	P223-P434 HydrophobicContact CB-CB 4.04Å; P223-P434 HydrophobicContact CG-CB 3.98Å; P434-L438 WeakPolarHBondContact O-CB 3.47Å; P434-L438 PolarHBondContact O-N 3.25Å; P434-L438 VanDerWaalsContact O-N 3.08Å
435	L	98.9	Very high	98.4	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-70.6	-45.2	179.1	-178.6	59.9	0	0	0	111.3	P223 A399 A403 V425 D428 A429 S433 K437 L438 V439	P223-L435 HydrophobicContact CB-CB 3.87Å; P223-L435 HydrophobicContact CB-CD1 4.15Å; A399-L435 HydrophobicContact CB-CD2 4.17Å; A399-L435 HydrophobicContact CB-CG 3.93Å; A399-L435 WeakPolarHBondContact O-CD2 3.34Å; A403-L435 HydrophobicContact CB-CD2 4.45Å; V425-L435 HydrophobicContact CG1-CD1 3.61Å; V425-L435 HydrophobicContact CG1-CD2 3.58Å; V425-L435 HydrophobicContact CG1-CG 4.25Å; D428-L435 WeakPolarHBondContact O-CB 3.19Å; A429-L435 HydrophobicContact CB-CD2 4.19Å; S433-L435 PolarHBondContact O-N 2.89Å; L435-K437 VanDerWaalsContact C-N 3.34Å; L435-K437 PolarHBondContact O-N 2.86Å; L435-L438 PolarHBondContact O-N 3.1Å; L435-V439 HydrophobicContact CD1-CG2 4.19Å; L435-V439 HydrophobicContact CG-CG2 4.49Å; L435-V439 WeakPolarHBondContact O-CB 3.49Å; L435-V439 WeakPolarHBondContact O-CG2 3.26Å; L435-V439 PolarHBondContact O-N 2.86Å
436	D	98.8	Very high	98.4	Very high	45 Å²	45	48.8 Å²	48.8	24%	0.241	30%	0.295	C	S	.	.	H	α-helix	trans	-59.5	-43.4	176.7	179.1	51	0	0	0	111.9	A399 S430 G432 S433 L438 V439 S440	A399-D436 HydrophobicContact CB-CB 4.42Å; S430-D436 WeakPolarHBondContact O-CB 3.47Å; G432-D436 PolarHBondContact N-OD2 3.31Å; S433-D436 PolarHBondContact O-N 3.41Å; S433-D436 WeakPolarHBondContact OG-CB 3.32Å; S433-D436 PolarHBondContact OG-N 3.25Å; S433-D436 VanDerWaalsContact OG-N 3.16Å; D436-L438 PolarHBondContact O-N 3.28Å; D436-V439 PolarHBondContact O-N 3.35Å; D436-S440 WeakPolarHBondContact O-CB 3.42Å; D436-S440 PolarHBondContact O-N 3.12Å; D436-S440 PolarHBondContact O-OG 2.48Å
437	K	98.8	Very high	98.4	Very high	138 Å²	138	54.9 Å²	54.9	60%	0.6	32%	0.317	S	S	*	.	H	α-helix	trans	-61.8	-44.3	175.1	-72.7	175.1	177.9	170.9	0	112.4	G432 S433 L435 S441	G432-K437 WeakPolarHBondContact O-CE 3.18Å; S433-K437 WeakPolarHBondContact O-CG 3.31Å; S433-K437 PolarHBondContact O-N 3.34Å; L435-K437 VanDerWaalsContact C-N 3.34Å; L435-K437 PolarHBondContact O-N 2.86Å; K437-S441 WeakPolarHBondContact O-CB 3.45Å; K437-S441 PolarHBondContact O-N 2.83Å
438	L	98.8	Very high	98.4	Very high	2 Å²	2	49.2 Å²	49.2	1%	0.01	29%	0.289	C	S	.	.	H	α-helix	trans	-63.2	-49.1	178.6	177.4	61.5	0	0	0	111.2	L59 P223 L224 L394 P434 L435 D436 S441	L59-L438 HydrophobicContact CB-CD1 3.94Å; P223-L438 HydrophobicContact CG-CB 4.32Å; P223-L438 HydrophobicContact CG-CD2 3.88Å; L224-L438 HydrophobicContact CD1-CD2 3.56Å; L224-L438 HydrophobicContact CG-CD2 3.62Å; L394-L438 HydrophobicContact CD1-CD1 4.12Å; L394-L438 HydrophobicContact CD1-CD2 4.17Å; L394-L438 HydrophobicContact CD1-CG 3.97Å; L394-L438 HydrophobicContact CD2-CD2 4.28Å; L394-L438 HydrophobicContact CD2-CG 4.34Å; P434-L438 WeakPolarHBondContact O-CB 3.47Å; P434-L438 PolarHBondContact O-N 3.25Å; P434-L438 VanDerWaalsContact O-N 3.08Å; L435-L438 PolarHBondContact O-N 3.1Å; D436-L438 PolarHBondContact O-N 3.28Å; L438-S441 PolarHBondContact O-N 3.21Å; L438-S441 PolarHBondContact O-OG 3.4Å
439	V	98.8	Very high	98.5	Very high	14 Å²	14	46 Å²	46	9%	0.085	27%	0.272	C	S	.	.	H	α-helix	trans	-60.3	-52.1	177.4	167.8	0	0	0	0	110.9	L394 H397 A399 L402 L435 D436 S441 T442 S443	L394-V439 HydrophobicContact CD2-CG2 4.15Å; H397-V439 VanDerWaalsContact O-CG1 3.28Å; H397-V439 WeakPolarHBondContact O-CG1 3.24Å; A399-V439 HydrophobicContact CB-CG2 4.29Å; L402-V439 HydrophobicContact CD1-CG2 3.64Å; L435-V439 HydrophobicContact CD1-CG2 4.19Å; L435-V439 HydrophobicContact CG-CG2 4.49Å; L435-V439 WeakPolarHBondContact O-CB 3.49Å; L435-V439 WeakPolarHBondContact O-CG2 3.26Å; L435-V439 PolarHBondContact O-N 2.86Å; D436-V439 PolarHBondContact O-N 3.35Å; V439-S441 PolarHBondContact O-N 3.12Å; V439-S441 VanDerWaalsContact O-N 3.16Å; V439-T442 PolarHBondContact O-N 3.01Å; V439-T442 PolarHBondContact O-OG1 3.19Å; V439-S443 PolarHBondContact O-N 3.08Å
440	S	98.6	Very high	98.5	Very high	59 Å²	59	48.7 Å²	48.7	41%	0.413	29%	0.294	S	S	.	.	H	α-helix	trans	-55.1	-37.2	179.9	-68.8	0	0	0	0	112.4	D436 T442 S443	D436-S440 WeakPolarHBondContact O-CB 3.42Å; D436-S440 PolarHBondContact O-N 3.12Å; D436-S440 PolarHBondContact O-OG 2.48Å; S440-T442 PolarHBondContact O-N 2.82Å; S440-T442 VanDerWaalsContact O-N 3.17Å; S440-S443 WeakPolarHBondContact O-CB 3.5Å; S440-S443 PolarHBondContact O-N 3Å; S440-S443 PolarHBondContact O-OG 3.2Å
441	S	98.6	Very high	98.5	Very high	22 Å²	22	49.5 Å²	49.5	15%	0.154	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-15.2	179.1	75.4	0	0	0	0	115.5	K437 L438 V439	K437-S441 WeakPolarHBondContact O-CB 3.45Å; K437-S441 PolarHBondContact O-N 2.83Å; L438-S441 PolarHBondContact O-N 3.21Å; L438-S441 PolarHBondContact O-OG 3.4Å; V439-S441 PolarHBondContact O-N 3.12Å; V439-S441 VanDerWaalsContact O-N 3.16Å
442	T	98.2	Very high	98.5	Very high	6 Å²	6	44.1 Å²	44.1	4%	0.037	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.9	-6.4	179.3	61	0	0	0	0	113.3	L394 S395 V439 S440 D444 L445	L394-T442 HydrophobicContact CB-CG2 4.14Å; L394-T442 VanDerWaalsContact CB-OG1 3.31Å; L394-T442 WeakPolarHBondContact CB-OG1 3.25Å; L394-T442 HydrophobicContact CD1-CG2 4.4Å; L394-T442 PolarHBondContact O-OG1 2.96Å; S395-T442 WeakPolarHBondContact CA-OG1 3.33Å; S395-T442 WeakPolarHBondContact CB-O 3.17Å; S395-T442 PolarHBondContact N-OG1 2.87Å; S395-T442 VanDerWaalsContact N-OG1 3.12Å; S395-T442 PolarHBondContact OG-O 3.08Å; S395-T442 VanDerWaalsContact OG-O 3.09Å; V439-T442 PolarHBondContact O-N 3.01Å; V439-T442 PolarHBondContact O-OG1 3.19Å; S440-T442 PolarHBondContact O-N 2.82Å; S440-T442 VanDerWaalsContact O-N 3.17Å; T442-D444 PolarHBondContact O-N 3.13Å; T442-D444 VanDerWaalsContact O-N 3.13Å; T442-L445 WeakPolarHBondContact O-CB 3.46Å; T442-L445 PolarHBondContact O-N 3.34Å
443	S	96.6	Very high	98.5	Very high	77 Å²	77	48.1 Å²	48.1	54%	0.538	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-23.6	-172.9	64.2	0	0	0	0	114.8	V439 S440	V439-S443 PolarHBondContact O-N 3.08Å; S440-S443 WeakPolarHBondContact O-CB 3.5Å; S440-S443 PolarHBondContact O-N 3Å; S440-S443 PolarHBondContact O-OG 3.2Å
444	D	97.4	Very high	98.5	Very high	57 Å²	57	50.6 Å²	50.6	31%	0.305	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	0.6	179.1	77.4	-22.7	0	0	0	113.7	T442 K447 R448	T442-D444 PolarHBondContact O-N 3.13Å; T442-D444 VanDerWaalsContact O-N 3.13Å; D444-K447 WeakPolarHBondContact O-CA 3.44Å; D444-K447 WeakPolarHBondContact O-CB 3.41Å; D444-K447 PolarHBondContact O-N 3.05Å; D444-R448 WeakPolarHBondContact O-CG 3.21Å; D444-R448 PolarHBondContact O-N 3.44Å; D444-R448 WeakPolarHBondContact OD1-CD 3.47Å; D444-R448 VanDerWaalsContact OD2-CD 3.24Å; D444-R448 WeakPolarHBondContact OD2-CD 3.49Å
445	L	98.7	Very high	98.5	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-51.9	-46.4	-177.3	173.6	65.3	0	0	0	113.1	V61 F63 L374 T442 K447 R448 L449	V61-L445 HydrophobicContact CG1-CD1 4.11Å; F63-L445 HydrophobicContact CE1-CD1 3.59Å; F63-L445 HydrophobicContact CZ-CD1 4.19Å; L374-L445 HydrophobicContact CB-CD2 4.49Å; L374-L445 HydrophobicContact CD1-CD1 4.41Å; T442-L445 WeakPolarHBondContact O-CB 3.46Å; T442-L445 PolarHBondContact O-N 3.34Å; L445-K447 VanDerWaalsContact C-N 3.34Å; L445-K447 PolarHBondContact O-N 2.85Å; L445-R448 PolarHBondContact O-N 3.1Å; L445-L449 HydrophobicContact CD1-CD1 4.06Å; L445-L449 HydrophobicContact CD1-CG 4.31Å; L445-L449 HydrophobicContact CG-CD1 4.14Å; L445-L449 WeakPolarHBondContact O-CG 3.48Å; L445-L449 PolarHBondContact O-N 3.44Å
446	P	98.6	Very high	98.5	Very high	42 Å²	42	50.3 Å²	50.3	27%	0.273	28%	0.283	S	S	.	.	H	α-helix	trans	-60.7	-39.4	174.3	-25.7	36.3	0	0	0	114	Y373 S395 L449 A450	Y373-P446 HydrophobicContact CD1-CG 4.43Å; Y373-P446 HydrophobicContact CE1-CB 3.83Å; Y373-P446 HydrophobicContact CE1-CG 3.83Å; S395-P446 WeakPolarHBondContact OG-CD 3.39Å; P446-L449 PolarHBondContact O-N 3.37Å; P446-A450 WeakPolarHBondContact O-CB 3.28Å; P446-A450 PolarHBondContact O-N 3.31Å
447	K	98.6	Very high	98.5	Very high	167 Å²	167	48.6 Å²	48.6	73%	0.726	28%	0.275	S	S	*	.	H	α-helix	trans	-66.4	-43.5	179.2	-64.7	178.6	-179.8	173.7	0	110.8	D444 L445 L449 A450 S451	D444-K447 WeakPolarHBondContact O-CA 3.44Å; D444-K447 WeakPolarHBondContact O-CB 3.41Å; D444-K447 PolarHBondContact O-N 3.05Å; L445-K447 VanDerWaalsContact C-N 3.34Å; L445-K447 PolarHBondContact O-N 2.85Å; K447-L449 VanDerWaalsContact C-N 3.34Å; K447-L449 PolarHBondContact O-N 3.34Å; K447-A450 PolarHBondContact O-N 3.01Å; K447-S451 PolarHBondContact O-N 3.2Å
448	R	98.7	Very high	98.5	Very high	28 Å²	28	47.1 Å²	47.1	11%	0.106	27%	0.27	C	S	.	.	H	α-helix	trans	-63.6	-37.3	175.6	-67.9	174	53.9	-165.1	-3.4	112.8	E60 V61 F63 D444 L445 S451	E60-R448 IonicContact OE1-NH1 2.86Å; V61-R448 PolarHBondContact O-NH1 3.47Å; V61-R448 PolarHBondContact O-NH2 3.14Å; F63-R448 HydrophobicContact CE2-CB 4.35Å; F63-R448 HydrophobicContact CZ-CB 3.75Å; D444-R448 WeakPolarHBondContact O-CG 3.21Å; D444-R448 PolarHBondContact O-N 3.44Å; D444-R448 WeakPolarHBondContact OD1-CD 3.47Å; D444-R448 VanDerWaalsContact OD2-CD 3.24Å; D444-R448 WeakPolarHBondContact OD2-CD 3.49Å; L445-R448 PolarHBondContact O-N 3.1Å; R448-S451 PolarHBondContact O-OG 2.93Å
449	L	98.8	Very high	98.5	Very high	2 Å²	2	51.2 Å²	51.2	1%	0.01	29%	0.289	C	S	.	.	H	α-helix	trans	-68.8	-36.5	175.2	-77.3	166	0	0	0	112.1	F63 Y373 L374 H377 L445 P446 K447 R452	F63-L449 HydrophobicContact CD1-CD2 4.27Å; F63-L449 HydrophobicContact CD2-CD2 4.1Å; F63-L449 HydrophobicContact CE1-CD2 3.94Å; F63-L449 HydrophobicContact CE1-CG 4.11Å; F63-L449 HydrophobicContact CE2-CD2 3.73Å; F63-L449 HydrophobicContact CE2-CG 4.14Å; F63-L449 HydrophobicContact CG-CD2 4.34Å; F63-L449 HydrophobicContact CZ-CD2 3.64Å; F63-L449 HydrophobicContact CZ-CG 3.67Å; Y373-L449 HydrophobicContact CD1-CD1 3.84Å; Y373-L449 HydrophobicContact CE1-CD1 3.6Å; L374-L449 HydrophobicContact CD1-CD1 3.95Å; L374-L449 HydrophobicContact CD1-CD2 3.65Å; L374-L449 HydrophobicContact CD1-CG 4.27Å; H377-L449 HydrophobicContact CB-CD1 4.17Å; H377-L449 HydrophobicContact CB-CD2 4.31Å; L445-L449 HydrophobicContact CD1-CD1 4.06Å; L445-L449 HydrophobicContact CD1-CG 4.31Å; L445-L449 HydrophobicContact CG-CD1 4.14Å; L445-L449 WeakPolarHBondContact O-CG 3.48Å; L445-L449 PolarHBondContact O-N 3.44Å; P446-L449 PolarHBondContact O-N 3.37Å; K447-L449 VanDerWaalsContact C-N 3.34Å; K447-L449 PolarHBondContact O-N 3.34Å; L449-R452 VanDerWaalsContact CD2-CZ 3.44Å; L449-R452 PolarHBondContact O-NE 2.95Å
450	A	98.6	Very high	98.5	Very high	73 Å²	73	50.7 Å²	50.7	60%	0.603	29%	0.286	S	S	*	.	H	α-helix	trans	-73.9	-24.1	177.9	0	0	0	0	0	113.5	P446 K447 R452	P446-A450 WeakPolarHBondContact O-CB 3.28Å; P446-A450 PolarHBondContact O-N 3.31Å; K447-A450 PolarHBondContact O-N 3.01Å; A450-R452 PolarHBondContact O-N 3.42Å
451	S	98.7	Very high	98.4	Very high	75 Å²	75	49 Å²	49	52%	0.524	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-3.3	177.3	64.6	0	0	0	0	114.3	K447 R448	K447-S451 PolarHBondContact O-N 3.2Å; R448-S451 PolarHBondContact O-OG 2.93Å
452	R	98.8	Very high	98.4	Very high	12 Å²	12	53.2 Å²	53.2	5%	0.045	29%	0.29	C	S	.	.	S	Bend	trans	-74.7	154.1	178.6	-68	-178.5	-63.2	165.5	8	111.8	F63 P64 A65 Y67 H377 N378 L449 A450 F486	F63-R452 HydrophobicContact CE2-CG 4.32Å; P64-R452 WeakPolarHBondContact O-CD 3.44Å; A65-R452 CarbonylContact O-C 3.49Å; A65-R452 WeakPolarHBondContact O-CA 3.48Å; A65-R452 VanDerWaalsContact O-CB 3.27Å; A65-R452 WeakPolarHBondContact O-CB 3.47Å; Y67-R452 HydrophobicContact CD1-CB 3.58Å; Y67-R452 HydrophobicContact CE1-CB 3.85Å; H377-R452 PolarHBondContact O-NH1 2.98Å; H377-R452 PolarHBondContact O-NH2 3.04Å; N378-R452 PolarHBondContact OD1-NH1 3.42Å; L449-R452 VanDerWaalsContact CD2-CZ 3.44Å; L449-R452 PolarHBondContact O-NE 2.95Å; A450-R452 PolarHBondContact O-N 3.42Å; R452-F486 HydrophobicContact CG-CE2 4.19Å; R452-F486 HydrophobicContact CG-CZ 3.63Å
453	K	98.6	Very high	98.4	Very high	124 Å²	124	54.2 Å²	54.2	54%	0.539	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	129.2	174.8	-171.8	-179.2	174.2	-162.6	0	111	A65 Q66 Y67 M455	A65-K453 PolarHBondContact O-N 3.14Å; Q66-K453 VanDerWaalsContact CA-O 3.29Å; Q66-K453 WeakPolarHBondContact CA-O 3.23Å; Y67-K453 PolarHBondContact N-O 2.98Å; K453-M455 HydrophobicContact CD-SD 3.67Å; K453-M455 VanDerWaalsContact CE-SD 3.56Å; K453-M455 HydrophobicContact CG-SD 4.02Å
454	C	98.8	Very high	98.5	Very high	58 Å²	58	50.9 Å²	50.9	39%	0.392	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	127.1	166.5	-163	0	0	0	0	109.2	Y67	Y67-C454 HydrophobicContact CE1-CB 4.4Å; Y67-C454 HydrophobicContact CE2-CB 3.75Å; Y67-C454 WeakPolarHBondContact CE2-SG 3.33Å
455	M	98.6	Very high	98.5	Very high	15 Å²	15	50.7 Å²	50.7	7%	0.074	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	147	176.2	-60.9	-63	-67	0	0	109.5	Q66 Y67 F95 K453 E459 I463	Q66-M455 HydrophobicContact CB-CG 3.9Å; Y67-M455 PolarHBondContact O-N 3.37Å; F95-M455 HydrophobicContact CE1-CB 4.21Å; F95-M455 HydrophobicContact CE1-CG 4.36Å; F95-M455 HydrophobicContact CZ-CB 3.88Å; F95-M455 HydrophobicContact CZ-CG 3.85Å; K453-M455 HydrophobicContact CD-SD 3.67Å; K453-M455 VanDerWaalsContact CE-SD 3.56Å; K453-M455 HydrophobicContact CG-SD 4.02Å; M455-E459 HydrophobicContact CE-CB 3.93Å; M455-E459 HydrophobicContact CE-CG 4.35Å; M455-E459 WeakPolarHBondContact CE-OE2 3.12Å; M455-I463 HydrophobicContact CE-CD1 4.42Å
456	S	98.8	Very high	98.4	Very high	39 Å²	39	52.6 Å²	52.6	27%	0.273	28%	0.279	S	S	.	.			trans	-68.5	154.6	177.2	96.3	0	0	0	0	111	E458 E459 F460	S456-E458 VanDerWaalsContact CB-OE2 3.26Å; S456-E458 WeakPolarHBondContact CB-OE2 3.37Å; S456-E458 PolarHBondContact O-N 2.98Å; S456-E458 PolarHBondContact OG-N 3.17Å; S456-E458 PolarHBondContact OG-OE2 2.72Å; S456-E459 PolarHBondContact N-OE2 3.41Å; S456-E459 VanDerWaalsContact N-OE2 3.08Å; S456-E459 PolarHBondContact O-N 3.28Å; S456-E459 PolarHBondContact OG-N 3.07Å; S456-F460 WeakPolarHBondContact O-CB 3.34Å; S456-F460 PolarHBondContact O-N 2.94Å
457	P	98.8	Very high	98.3	Very high	10 Å²	10	51.6 Å²	51.6	7%	0.065	27%	0.27	C	S	.	.	H	α-helix	trans	-56.9	-31.2	173.6	-27.2	36.8	0	0	0	114.1	V68 D72 L73 Y76 T461	V68-P457 HydrophobicContact CG2-CB 4.48Å; V68-P457 HydrophobicContact CG2-CG 4.21Å; D72-P457 HydrophobicContact CB-CG 3.82Å; L73-P457 HydrophobicContact CD1-CB 4.16Å; Y76-P457 VanDerWaalsContact CB-CB 3.45Å; Y76-P457 HydrophobicContact CD1-CB 3.93Å; Y76-P457 HydrophobicContact CD2-CB 3.68Å; Y76-P457 HydrophobicContact CE2-CB 4.42Å; Y76-P457 HydrophobicContact CG-CB 3.4Å; Y76-P457 VanDerWaalsContact CG-CB 3.4Å; Y76-P457 HydrophobicContact CG-CG 4.37Å; P457-T461 VanDerWaalsContact O-CB 3.31Å; P457-T461 WeakPolarHBondContact O-CB 3.29Å; P457-T461 PolarHBondContact O-N 3.21Å; P457-T461 PolarHBondContact O-OG1 2.92Å
458	E	98.6	Very high	98.1	Very high	107 Å²	107	48 Å²	48	50%	0.5	26%	0.256	S	S	.	.	H	α-helix	trans	-67.1	-50.9	174.8	-59.6	70.6	-157.8	0	0	111.3	Y76 S456 F460 T461 E462	Y76-E458 HydrophobicContact CD2-CG 4.38Å; Y76-E458 WeakPolarHBondContact CD2-OE1 3.41Å; Y76-E458 HydrophobicContact CE2-CG 3.92Å; S456-E458 VanDerWaalsContact CB-OE2 3.26Å; S456-E458 WeakPolarHBondContact CB-OE2 3.37Å; S456-E458 PolarHBondContact O-N 2.98Å; S456-E458 PolarHBondContact OG-N 3.17Å; S456-E458 PolarHBondContact OG-OE2 2.72Å; E458-F460 VanDerWaalsContact C-N 3.33Å; E458-F460 PolarHBondContact O-N 3.48Å; E458-T461 PolarHBondContact O-N 3.31Å; E458-E462 PolarHBondContact O-N 2.8Å
459	E	98.3	Very high	98	Very high	88 Å²	88	53 Å²	53	41%	0.411	28%	0.28	S	S	.	.	H	α-helix	trans	-61.8	-42.5	177.3	-66.9	177.5	125.7	0	0	111.2	M455 S456 T461 E462 I463	M455-E459 HydrophobicContact CE-CB 3.93Å; M455-E459 HydrophobicContact CE-CG 4.35Å; M455-E459 WeakPolarHBondContact CE-OE2 3.12Å; S456-E459 PolarHBondContact N-OE2 3.41Å; S456-E459 VanDerWaalsContact N-OE2 3.08Å; S456-E459 PolarHBondContact O-N 3.28Å; S456-E459 PolarHBondContact OG-N 3.07Å; E459-T461 VanDerWaalsContact C-N 3.34Å; E459-T461 PolarHBondContact O-N 3.4Å; E459-E462 PolarHBondContact O-N 3.22Å; E459-I463 VanDerWaalsContact O-CG1 3.31Å; E459-I463 WeakPolarHBondContact O-CG1 3.49Å; E459-I463 PolarHBondContact O-N 2.87Å
460	F	98.6	Very high	98	Very high	3 Å²	3	54.4 Å²	54.4	1%	0.013	29%	0.286	C	S	.	.	H	α-helix	trans	-57.1	-47.8	172.9	161.3	-106.5	0	0	0	111.4	V68 L73 M93 F95 R206 S456 E458 E462 I463 M464	V68-F460 HydrophobicContact CB-CB 4.12Å; V68-F460 HydrophobicContact CB-CD2 4.44Å; V68-F460 HydrophobicContact CB-CG 4.12Å; V68-F460 HydrophobicContact CG1-CD1 4.26Å; V68-F460 HydrophobicContact CG1-CD2 4.08Å; V68-F460 HydrophobicContact CG1-CE2 4.35Å; V68-F460 HydrophobicContact CG1-CG 4.03Å; V68-F460 HydrophobicContact CG2-CB 4.21Å; V68-F460 HydrophobicContact CG2-CD1 4.47Å; V68-F460 HydrophobicContact CG2-CG 4.36Å; L73-F460 HydrophobicContact CD1-CD1 4.29Å; L73-F460 HydrophobicContact CD1-CE1 4.31Å; M93-F460 HydrophobicContact CE-CE1 4.07Å; M93-F460 HydrophobicContact CE-CE2 3.76Å; M93-F460 HydrophobicContact CE-CZ 3.37Å; F95-F460 HydrophobicContact CB-CD2 4.39Å; F95-F460 HydrophobicContact CB-CE2 4.19Å; F95-F460 AromaticContact CD1-CD2 3.59Å; F95-F460 HydrophobicContact CD1-CD2 3.59Å; F95-F460 HydrophobicContact CD1-CE2 4.1Å; F95-F460 HydrophobicContact CD2-CD2 4.03Å; F95-F460 HydrophobicContact CE1-CB 4.2Å; F95-F460 AromaticContact CE1-CD2 3.73Å; F95-F460 HydrophobicContact CE1-CD2 3.73Å; F95-F460 HydrophobicContact CE1-CG 4.38Å; F95-F460 HydrophobicContact CE2-CD2 4.17Å; F95-F460 AromaticContact CG-CD2 3.74Å; F95-F460 HydrophobicContact CG-CD2 3.74Å; F95-F460 HydrophobicContact CG-CE2 4.03Å; F95-F460 HydrophobicContact CZ-CB 4.13Å; F95-F460 HydrophobicContact CZ-CD2 4.02Å; R206-F460 HydrophobicContact CG-CE1 4.22Å; R206-F460 HydrophobicContact CG-CZ 4.14Å; S456-F460 WeakPolarHBondContact O-CB 3.34Å; S456-F460 PolarHBondContact O-N 2.94Å; E458-F460 VanDerWaalsContact C-N 3.33Å; E458-F460 PolarHBondContact O-N 3.48Å; F460-E462 VanDerWaalsContact C-N 3.33Å; F460-E462 PolarHBondContact O-N 3.28Å; F460-I463 PolarHBondContact O-N 3.48Å; F460-M464 HydrophobicContact CD2-CE 4.39Å; F460-M464 HydrophobicContact CD2-CG 4Å; F460-M464 HydrophobicContact CE1-CG 4.21Å; F460-M464 HydrophobicContact CE2-CE 4.06Å; F460-M464 HydrophobicContact CE2-CG 3.47Å; F460-M464 VanDerWaalsContact CE2-CG 3.47Å; F460-M464 HydrophobicContact CE2-SD 3.72Å; F460-M464 HydrophobicContact CZ-CG 3.58Å; F460-M464 HydrophobicContact CZ-SD 4.14Å; F460-M464 WeakPolarHBondContact O-CG 3.36Å; F460-M464 PolarHBondContact O-N 3.24Å
461	T	98.1	Very high	97.8	Very high	22 Å²	22	53.6 Å²	53.6	14%	0.135	27%	0.268	C	S	.	.	H	α-helix	trans	-63.4	-40.8	-179.5	-63	0	0	0	0	111.4	Y76 P457 E458 E459 M464 N465	Y76-T461 WeakPolarHBondContact CE1-OG1 3.4Å; P457-T461 VanDerWaalsContact O-CB 3.31Å; P457-T461 WeakPolarHBondContact O-CB 3.29Å; P457-T461 PolarHBondContact O-N 3.21Å; P457-T461 PolarHBondContact O-OG1 2.92Å; E458-T461 PolarHBondContact O-N 3.31Å; E459-T461 VanDerWaalsContact C-N 3.34Å; E459-T461 PolarHBondContact O-N 3.4Å; T461-M464 PolarHBondContact O-N 2.91Å; T461-N465 PolarHBondContact O-N 2.93Å; T461-N465 PolarHBondContact O-ND2 2.95Å; T461-N465 PolarHBondContact O-OD1 2.99Å
462	E	98	Very high	97.6	Very high	112 Å²	112	55.1 Å²	55.1	52%	0.523	27%	0.267	S	S	.	.	H	α-helix	trans	-62.5	-42.8	175.2	-175.9	58.3	-161.2	0	0	111.9	E458 E459 F460 M464 N465 Q466	E458-E462 PolarHBondContact O-N 2.8Å; E459-E462 PolarHBondContact O-N 3.22Å; F460-E462 VanDerWaalsContact C-N 3.33Å; F460-E462 PolarHBondContact O-N 3.28Å; E462-M464 VanDerWaalsContact C-N 3.33Å; E462-M464 PolarHBondContact O-N 3.25Å; E462-N465 PolarHBondContact O-N 3.45Å; E462-Q466 WeakPolarHBondContact O-CB 3.3Å; E462-Q466 PolarHBondContact O-N 3.19Å
463	I	98.1	Very high	97.5	Very high	27 Å²	27	59.4 Å²	59.4	14%	0.138	29%	0.285	C	S	.	.	H	α-helix	trans	-64.1	-39.4	176	-68.4	167.3	0	0	0	110.9	F95 M455 E459 F460 Q466 R467	F95-I463 HydrophobicContact CD2-CG2 4.17Å; F95-I463 HydrophobicContact CE2-CB 4.24Å; F95-I463 HydrophobicContact CE2-CD1 3.72Å; F95-I463 HydrophobicContact CE2-CG2 4.02Å; F95-I463 HydrophobicContact CZ-CD1 4.3Å; M455-I463 HydrophobicContact CE-CD1 4.42Å; E459-I463 VanDerWaalsContact O-CG1 3.31Å; E459-I463 WeakPolarHBondContact O-CG1 3.49Å; E459-I463 PolarHBondContact O-N 2.87Å; F460-I463 PolarHBondContact O-N 3.48Å; I463-Q466 WeakPolarHBondContact O-CB 3.24Å; I463-Q466 PolarHBondContact O-N 2.85Å; I463-R467 WeakPolarHBondContact O-CG 3.46Å; I463-R467 PolarHBondContact O-N 2.97Å
464	M	98.1	Very high	97.4	Very high	6 Å²	6	54.9 Å²	54.9	3%	0.03	27%	0.271	C	S	.	.	H	α-helix	trans	-64.3	-41.3	174.5	-66	-58.8	94.2	0	0	111.9	F95 V199 F460 T461 E462 Q466 R467 E468	F95-M464 HydrophobicContact CB-CE 4.16Å; F95-M464 HydrophobicContact CD2-CE 3.87Å; F95-M464 HydrophobicContact CG-CE 4.32Å; V199-M464 HydrophobicContact CG1-SD 3.97Å; F460-M464 HydrophobicContact CD2-CE 4.39Å; F460-M464 HydrophobicContact CD2-CG 4Å; F460-M464 HydrophobicContact CE1-CG 4.21Å; F460-M464 HydrophobicContact CE2-CE 4.06Å; F460-M464 HydrophobicContact CE2-CG 3.47Å; F460-M464 VanDerWaalsContact CE2-CG 3.47Å; F460-M464 HydrophobicContact CE2-SD 3.72Å; F460-M464 HydrophobicContact CZ-CG 3.58Å; F460-M464 HydrophobicContact CZ-SD 4.14Å; F460-M464 WeakPolarHBondContact O-CG 3.36Å; F460-M464 PolarHBondContact O-N 3.24Å; T461-M464 PolarHBondContact O-N 2.91Å; E462-M464 VanDerWaalsContact C-N 3.33Å; E462-M464 PolarHBondContact O-N 3.25Å; M464-Q466 VanDerWaalsContact C-N 3.32Å; M464-Q466 PolarHBondContact O-N 3.41Å; M464-R467 HydrophobicContact CE-CG 4.36Å; M464-R467 WeakPolarHBondContact O-CB 3.46Å; M464-R467 PolarHBondContact O-N 3.43Å; M464-E468 PolarHBondContact O-N 3.49Å
465	N	97.2	Very high	97.4	Very high	54 Å²	54	56.5 Å²	56.5	29%	0.289	28%	0.276	S	S	.	.	H	α-helix	trans	-63.2	-40.3	174.6	-63.9	-20.1	0	0	0	111.2	T461 E462 R467 E468 Q469	T461-N465 PolarHBondContact O-N 2.93Å; T461-N465 PolarHBondContact O-ND2 2.95Å; T461-N465 PolarHBondContact O-OD1 2.99Å; E462-N465 PolarHBondContact O-N 3.45Å; N465-R467 VanDerWaalsContact C-N 3.34Å; N465-R467 PolarHBondContact O-N 2.73Å; N465-E468 WeakPolarHBondContact O-CB 3.32Å; N465-E468 PolarHBondContact O-N 2.92Å; N465-Q469 WeakPolarHBondContact O-CG 3.36Å; N465-Q469 PolarHBondContact O-N 3.12Å; N465-Q469 VanDerWaalsContact O-N 3.1Å
466	Q	97	Very high	97.4	Very high	40 Å²	40	56.7 Å²	56.7	19%	0.187	28%	0.277	C	S	.	.	H	α-helix	trans	-61.1	-41.7	174.2	-176.4	180	75.4	0	0	111.4	V98 E462 I463 M464 E468 Q469 F470	V98-Q466 HydrophobicContact CG1-CG 4.41Å; V98-Q466 HydrophobicContact CG2-CG 4.36Å; E462-Q466 WeakPolarHBondContact O-CB 3.3Å; E462-Q466 PolarHBondContact O-N 3.19Å; I463-Q466 WeakPolarHBondContact O-CB 3.24Å; I463-Q466 PolarHBondContact O-N 2.85Å; M464-Q466 VanDerWaalsContact C-N 3.32Å; M464-Q466 PolarHBondContact O-N 3.41Å; Q466-E468 VanDerWaalsContact C-N 3.32Å; Q466-E468 PolarHBondContact O-N 2.9Å; Q466-Q469 PolarHBondContact O-N 2.87Å; Q466-F470 HydrophobicContact CG-CD2 3.58Å; Q466-F470 HydrophobicContact CG-CE2 3.68Å; Q466-F470 WeakPolarHBondContact O-CB 3.35Å; Q466-F470 VanDerWaalsContact O-CD2 3.24Å; Q466-F470 WeakPolarHBondContact O-CD2 3.45Å; Q466-F470 PolarHBondContact O-N 3.34Å
467	R	97	Very high	97.4	Very high	21 Å²	21	58.2 Å²	58.2	8%	0.079	29%	0.287	C	S	.	.	H	α-helix	trans	-56.9	-46.5	175.1	-70.2	-171.5	74	80.1	4.9	112	C96 S97 V98 E100 E249 I463 M464 N465 Q469 F470 Y471	C96-R467 WeakPolarHBondContact O-CD 3.49Å; C96-R467 PolarHBondContact O-NH1 2.84Å; C96-R467 VanDerWaalsContact O-NH1 3.15Å; S97-R467 PolarHBondContact O-NH1 3.15Å; V98-R467 HydrophobicContact CG1-CB 4.28Å; V98-R467 HydrophobicContact CG1-CG 3.87Å; E100-R467 PolarHBondContact O-NH1 3.05Å; E249-R467 IonicContact OE1-CZ 3.77Å; E249-R467 IonicContact OE1-NE 2.75Å; E249-R467 IonicContact OE1-NH2 3.93Å; E249-R467 PolarHBondContact OE1-NH2 3.03Å; E249-R467 IonicContact OE2-CZ 3.71Å; E249-R467 IonicContact OE2-NE 3.82Å; E249-R467 PolarHBondContact OE2-NE 3.47Å; E249-R467 IonicContact OE2-NH2 2.68Å; I463-R467 WeakPolarHBondContact O-CG 3.46Å; I463-R467 PolarHBondContact O-N 2.97Å; M464-R467 HydrophobicContact CE-CG 4.36Å; M464-R467 WeakPolarHBondContact O-CB 3.46Å; M464-R467 PolarHBondContact O-N 3.43Å; N465-R467 VanDerWaalsContact C-N 3.34Å; N465-R467 PolarHBondContact O-N 2.73Å; R467-Q469 VanDerWaalsContact C-N 3.33Å; R467-Q469 PolarHBondContact O-N 3.29Å; R467-F470 PolarHBondContact O-N 3.32Å; R467-Y471 WeakPolarHBondContact O-CB 3.36Å; R467-Y471 PolarHBondContact O-N 2.56Å
468	E	95.1	Very high	97.3	Very high	92 Å²	92	58.3 Å²	58.3	43%	0.43	29%	0.288	S	S	.	.	H	α-helix	trans	-58	-45.6	176.9	-66	178	-154.5	0	0	111.8	R206 Y250 M464 N465 Q466 F470	R206-E468 IonicContact NH2-OE1 3.91Å; Y250-E468 HydrophobicContact CE2-CG 3.86Å; Y250-E468 WeakPolarHBondContact CE2-OE1 3.48Å; Y250-E468 VanDerWaalsContact OH-CD 3.28Å; Y250-E468 WeakPolarHBondContact OH-CG 3.36Å; Y250-E468 PolarHBondContact OH-OE1 2.95Å; M464-E468 PolarHBondContact O-N 3.49Å; N465-E468 WeakPolarHBondContact O-CB 3.32Å; N465-E468 PolarHBondContact O-N 2.92Å; Q466-E468 VanDerWaalsContact C-N 3.32Å; Q466-E468 PolarHBondContact O-N 2.9Å; E468-F470 VanDerWaalsContact C-N 3.35Å; E468-F470 PolarHBondContact O-N 3.05Å
469	Q	96.7	Very high	97.1	Very high	133 Å²	133	55.7 Å²	55.7	62%	0.621	28%	0.28	S	S	*	.	H	α-helix	trans	-65.5	-36	-179.2	-68.9	172.3	16.3	0	0	113.2	N465 Q466 R467	N465-Q469 WeakPolarHBondContact O-CG 3.36Å; N465-Q469 PolarHBondContact O-N 3.12Å; N465-Q469 VanDerWaalsContact O-N 3.1Å; Q466-Q469 PolarHBondContact O-N 2.87Å; R467-Q469 VanDerWaalsContact C-N 3.33Å; R467-Q469 PolarHBondContact O-N 3.29Å
470	F	96.9	Very high	96.8	Very high	31 Å²	31	54 Å²	54	14%	0.136	29%	0.287	C	S	.	.	H	α-helix	trans	-93	-9.1	-174.7	-80.7	-100.6	0	0	0	113.6	V98 Q466 R467 E468 H472 K473 F476 P479	V98-F470 HydrophobicContact CG1-CB 3.92Å; V98-F470 HydrophobicContact CG1-CG 4.5Å; Q466-F470 HydrophobicContact CG-CD2 3.58Å; Q466-F470 HydrophobicContact CG-CE2 3.68Å; Q466-F470 WeakPolarHBondContact O-CB 3.35Å; Q466-F470 VanDerWaalsContact O-CD2 3.24Å; Q466-F470 WeakPolarHBondContact O-CD2 3.45Å; Q466-F470 PolarHBondContact O-N 3.34Å; R467-F470 PolarHBondContact O-N 3.32Å; E468-F470 VanDerWaalsContact C-N 3.35Å; E468-F470 PolarHBondContact O-N 3.05Å; F470-H472 VanDerWaalsContact C-N 3.28Å; F470-H472 PolarHBondContact O-N 2.98Å; F470-H472 VanDerWaalsContact O-N 3.17Å; F470-K473 HydrophobicContact CD1-CB 4.41Å; F470-K473 HydrophobicContact CD1-CD 3.71Å; F470-K473 HydrophobicContact CE1-CD 3.83Å; F470-K473 HydrophobicContact CG-CD 4.34Å; F470-K473 WeakPolarHBondContact O-CB 3.28Å; F470-K473 PolarHBondContact O-N 3.48Å; F470-F476 HydrophobicContact CB-CZ 4.47Å; F470-F476 HydrophobicContact CD1-CD1 4.33Å; F470-F476 AromaticContact CD1-CD2 3.32Å; F470-F476 HydrophobicContact CD1-CD2 3.32Å; F470-F476 HydrophobicContact CD1-CE1 4.35Å; F470-F476 AromaticContact CD1-CE2 3.35Å; F470-F476 HydrophobicContact CD1-CE2 3.35Å; F470-F476 AromaticContact CD1-CG 3.84Å; F470-F476 HydrophobicContact CD1-CG 3.84Å; F470-F476 AromaticContact CD1-CZ 3.9Å; F470-F476 HydrophobicContact CD1-CZ 3.9Å; F470-F476 HydrophobicContact CE1-CB 4.28Å; F470-F476 AromaticContact CE1-CD2 3.43Å; F470-F476 HydrophobicContact CE1-CD2 3.43Å; F470-F476 VanDerWaalsContact CE1-CD2 3.43Å; F470-F476 AromaticContact CE1-CE2 3.9Å; F470-F476 HydrophobicContact CE1-CE2 3.9Å; F470-F476 AromaticContact CE1-CG 3.96Å; F470-F476 HydrophobicContact CE1-CG 3.96Å; F470-F476 HydrophobicContact CG-CE2 4.35Å; F470-P479 HydrophobicContact CZ-CG 4.41Å
471	Y	95.8	Very high	96.6	Very high	57 Å²	57	58.2 Å²	58.2	22%	0.224	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-40.8	-172.5	-167.4	-92.9	0	0	0	113.7	I134 E249 R467	I134-Y471 PolarHBondContact O-OH 3.5Å; E249-Y471 HydrophobicContact CB-CD2 3.78Å; E249-Y471 HydrophobicContact CB-CE2 3.44Å; E249-Y471 VanDerWaalsContact CB-CE2 3.44Å; E249-Y471 HydrophobicContact CG-CD2 4.05Å; E249-Y471 HydrophobicContact CG-CE2 3.44Å; E249-Y471 VanDerWaalsContact CG-CE2 3.44Å; R467-Y471 WeakPolarHBondContact O-CB 3.36Å; R467-Y471 PolarHBondContact O-N 2.56Å
472	H	94.7	Very high	96.5	Very high	107 Å²	107	59.3 Å²	59.3	50%	0.495	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104	4.3	177.6	-62.1	-61.8	0	0	0	114.2	A247 F470 A474	A247-H472 VanDerWaalsContact CA-CE1 3.49Å; A247-H472 WeakPolarHBondContact CA-CE1 3.46Å; A247-H472 VanDerWaalsContact CA-NE2 3.32Å; A247-H472 WeakPolarHBondContact CA-NE2 3.41Å; A247-H472 PolarHBondContact O-NE2 3.25Å; F470-H472 VanDerWaalsContact C-N 3.28Å; F470-H472 PolarHBondContact O-N 2.98Å; F470-H472 VanDerWaalsContact O-N 3.17Å; H472-A474 PolarHBondContact O-N 2.87Å
473	K	96.2	Very high	96.4	Very high	101 Å²	101	58.9 Å²	58.9	44%	0.439	32%	0.317	S	S	.	.			trans	-73.2	133.1	-172.3	-164.8	171.2	-176.1	175.8	0	109.4	F470 F476	F470-K473 HydrophobicContact CD1-CB 4.41Å; F470-K473 HydrophobicContact CD1-CD 3.71Å; F470-K473 HydrophobicContact CE1-CD 3.83Å; F470-K473 HydrophobicContact CG-CD 4.34Å; F470-K473 WeakPolarHBondContact O-CB 3.28Å; F470-K473 PolarHBondContact O-N 3.48Å; K473-F476 HydrophobicContact CB-CD1 3.87Å; K473-F476 HydrophobicContact CB-CE1 4.08Å; K473-F476 HydrophobicContact CD-CB 4.15Å; K473-F476 HydrophobicContact CD-CD1 4.32Å; K473-F476 HydrophobicContact CD-CG 4.25Å; K473-F476 HydrophobicContact CG-CB 4.35Å; K473-F476 HydrophobicContact CG-CD1 3.91Å; K473-F476 HydrophobicContact CG-CG 4.32Å; K473-F476 WeakPolarHBondContact O-CD1 3.48Å; K473-F476 WeakPolarHBondContact O-CE1 3.38Å
474	A	96.9	Very high	96.3	Very high	29 Å²	29	60.5 Å²	60.5	24%	0.24	33%	0.331	C	S	.	.			trans	-104.5	168.4	166.9	0	0	0	0	0	109.7	H472 F476	H472-A474 PolarHBondContact O-N 2.87Å; A474-F476 PolarHBondContact O-N 2.8Å
475	N	98.1	Very high	96.3	Very high	93 Å²	93	60.6 Å²	60.6	50%	0.497	33%	0.331	S	S	.	.	S	Bend	trans	53	49.2	175.7	-166.7	17	0	0	0	113.3	R494 V495 D496 E497	N475-R494 PolarHBondContact O-NH1 2.76Å; N475-R494 PolarHBondContact OD1-NH1 3.35Å; N475-R494 PolarHBondContact OD1-NH2 3.17Å; N475-V495 CarbonylContact C-O 3.48Å; N475-V495 WeakPolarHBondContact CA-O 3.44Å; N475-V495 PolarHBondContact N-O 3Å; N475-D496 PolarHBondContact N-O 2.94Å; N475-E497 HydrophobicContact CB-CB 4.34Å
476	F	98.4	Very high	96.4	Very high	19 Å²	19	59.9 Å²	59.9	8%	0.083	33%	0.326	C	S	.	.	B	Isolated β-bridge	trans	-132.3	162.9	171.2	78.6	-79.3	0	0	0	113.3	F470 K473 A474 P478 L492 R494 V495	F470-F476 HydrophobicContact CB-CZ 4.47Å; F470-F476 HydrophobicContact CD1-CD1 4.33Å; F470-F476 AromaticContact CD1-CD2 3.32Å; F470-F476 HydrophobicContact CD1-CD2 3.32Å; F470-F476 HydrophobicContact CD1-CE1 4.35Å; F470-F476 AromaticContact CD1-CE2 3.35Å; F470-F476 HydrophobicContact CD1-CE2 3.35Å; F470-F476 AromaticContact CD1-CG 3.84Å; F470-F476 HydrophobicContact CD1-CG 3.84Å; F470-F476 AromaticContact CD1-CZ 3.9Å; F470-F476 HydrophobicContact CD1-CZ 3.9Å; F470-F476 HydrophobicContact CE1-CB 4.28Å; F470-F476 AromaticContact CE1-CD2 3.43Å; F470-F476 HydrophobicContact CE1-CD2 3.43Å; F470-F476 VanDerWaalsContact CE1-CD2 3.43Å; F470-F476 AromaticContact CE1-CE2 3.9Å; F470-F476 HydrophobicContact CE1-CE2 3.9Å; F470-F476 AromaticContact CE1-CG 3.96Å; F470-F476 HydrophobicContact CE1-CG 3.96Å; F470-F476 HydrophobicContact CG-CE2 4.35Å; K473-F476 HydrophobicContact CB-CD1 3.87Å; K473-F476 HydrophobicContact CB-CE1 4.08Å; K473-F476 HydrophobicContact CD-CB 4.15Å; K473-F476 HydrophobicContact CD-CD1 4.32Å; K473-F476 HydrophobicContact CD-CG 4.25Å; K473-F476 HydrophobicContact CG-CB 4.35Å; K473-F476 HydrophobicContact CG-CD1 3.91Å; K473-F476 HydrophobicContact CG-CG 4.32Å; K473-F476 WeakPolarHBondContact O-CD1 3.48Å; K473-F476 WeakPolarHBondContact O-CE1 3.38Å; A474-F476 PolarHBondContact O-N 2.8Å; F476-P478 HydrophobicContact CD2-CG 4.31Å; F476-P478 HydrophobicContact CE2-CB 4.17Å; F476-P478 HydrophobicContact CE2-CG 3.65Å; F476-P478 HydrophobicContact CZ-CG 4.36Å; F476-L492 HydrophobicContact CZ-CD2 4.48Å; F476-R494 PolarHBondContact O-NH1 3.4Å; F476-V495 HydrophobicContact CD1-CB 3.86Å; F476-V495 HydrophobicContact CD1-CG2 4.16Å; F476-V495 HydrophobicContact CE1-CB 3.58Å; F476-V495 HydrophobicContact CE1-CG1 4.29Å; F476-V495 HydrophobicContact CE1-CG2 3.41Å; F476-V495 VanDerWaalsContact CE1-CG2 3.41Å; F476-V495 HydrophobicContact CZ-CB 4.32Å; F476-V495 HydrophobicContact CZ-CG2 3.7Å; F476-V495 PolarHBondContact N-O 2.63Å; F476-V495 PolarHBondContact O-N 2.93Å; F476-V495 VanDerWaalsContact O-O 3.09Å
477	S	98.2	Very high	96.5	Very high	70 Å²	70	60.9 Å²	60.9	49%	0.49	34%	0.336	S	S	.	.			trans	-109.5	128	163	-80	0	0	0	0	108.2	E493 R494	S477-E493 WeakPolarHBondContact CB-O 3.41Å; S477-E493 PolarHBondContact OG-O 2.92Å; S477-E493 VanDerWaalsContact OG-O 3.04Å; S477-R494 WeakPolarHBondContact OG-CD 3.3Å
478	P	97.5	Very high	96.5	Very high	12 Å²	12	60.1 Å²	60.1	8%	0.078	34%	0.335	C	S	.	.			trans	-57.7	126.6	179.8	-28.4	37.7	0	0	0	111.8	V98 Q99 F476 L492 E493	V98-P478 HydrophobicContact CG2-CB 4.1Å; Q99-P478 HydrophobicContact CB-CB 4.43Å; Q99-P478 HydrophobicContact CG-CB 3.85Å; F476-P478 HydrophobicContact CD2-CG 4.31Å; F476-P478 HydrophobicContact CE2-CB 4.17Å; F476-P478 HydrophobicContact CE2-CG 3.65Å; F476-P478 HydrophobicContact CZ-CG 4.36Å; P478-L492 WeakPolarHBondContact CD-O 3.31Å; P478-L492 HydrophobicContact CG-CB 3.93Å; P478-L492 HydrophobicContact CG-CD2 3.65Å; P478-L492 HydrophobicContact CG-CG 3.59Å; P478-L492 VanDerWaalsContact CG-O 3.28Å; P478-L492 WeakPolarHBondContact CG-O 3.45Å; P478-E493 WeakPolarHBondContact CD-O 3.35Å
479	P	95.2	Very high	96.7	Very high	53 Å²	53	55.8 Å²	55.8	34%	0.344	31%	0.314	S	S	.	.			trans	-69.3	150	174.5	30.2	-35.5	0	0	0	110.9	V98 Q99 F470	V98-P479 HydrophobicContact CG2-CG 4.27Å; Q99-P479 WeakPolarHBondContact CG-O 3.13Å; F470-P479 HydrophobicContact CZ-CG 4.41Å
480	G	91.3	Very high	96.8	Very high	53 Å²	53	51.6 Å²	51.6	55%	0.546	29%	0.293	S	S	.	.	S	Bend	trans	138.5	153.3	173.6	0	0	0	0	0	112.5	Q99	Q99-G480 VanDerWaalsContact CD-CA 3.49Å; Q99-G480 PolarHBondContact NE2-O 2.84Å
481	D	94.1	Very high	96.9	Very high	91 Å²	91	52 Å²	52	49%	0.487	29%	0.294	S	S	.	.			trans	-83.1	117.9	176.7	178.2	11.7	0	0	0	110	N483 S484	D481-N483 PolarHBondContact O-N 2.97Å; D481-N483 VanDerWaalsContact O-N 3.12Å; D481-N483 WeakPolarHBondContact OD1-CB 3.38Å; D481-N483 PolarHBondContact OD1-N 3.46Å; D481-N483 PolarHBondContact OD1-ND2 2.91Å; D481-S484 VanDerWaalsContact O-CB 3.32Å; D481-S484 WeakPolarHBondContact O-CB 3.32Å; D481-S484 PolarHBondContact O-N 3.36Å; D481-S484 PolarHBondContact O-OG 3.35Å
482	T	96	Very high	97	Very high	45 Å²	45	49.5 Å²	49.5	28%	0.276	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-61.6	-20.3	177.9	52.9	0	0	0	0	112.8	S484 L485 Y491 R506	T482-S484 PolarHBondContact O-N 2.98Å; T482-L485 PolarHBondContact O-N 3.25Å; T482-Y491 HydrophobicContact CG2-CD1 4.37Å; T482-Y491 HydrophobicContact CG2-CD2 4.11Å; T482-Y491 HydrophobicContact CG2-CE1 3.97Å; T482-Y491 HydrophobicContact CG2-CE2 3.69Å; T482-Y491 HydrophobicContact CG2-CG 4.43Å; T482-R506 WeakPolarHBondContact O-CD 3.27Å; T482-R506 PolarHBondContact O-NE 2.92Å
483	N	95.9	Very high	97.2	Very high	103 Å²	103	47.7 Å²	47.7	55%	0.551	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-69	-16.8	174.4	-61.7	-56.2	0	0	0	113.5	D481 L485 R506	D481-N483 PolarHBondContact O-N 2.97Å; D481-N483 VanDerWaalsContact O-N 3.12Å; D481-N483 WeakPolarHBondContact OD1-CB 3.38Å; D481-N483 PolarHBondContact OD1-N 3.46Å; D481-N483 PolarHBondContact OD1-ND2 2.91Å; N483-L485 VanDerWaalsContact C-N 3.34Å; N483-R506 PolarHBondContact O-NH2 3.48Å
484	S	96.1	Very high	97.3	Very high	61 Å²	61	46.6 Å²	46.6	43%	0.427	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-77.9	-16.4	176.6	71	0	0	0	0	114.1	A65 D481 T482	A65-S484 VanDerWaalsContact CB-O 3.23Å; A65-S484 WeakPolarHBondContact CB-O 3.47Å; D481-S484 VanDerWaalsContact O-CB 3.32Å; D481-S484 WeakPolarHBondContact O-CB 3.32Å; D481-S484 PolarHBondContact O-N 3.36Å; D481-S484 PolarHBondContact O-OG 3.35Å; T482-S484 PolarHBondContact O-N 2.98Å
485	L	98.4	Very high	97.4	Very high	8 Å²	8	45.4 Å²	45.4	4%	0.042	26%	0.259	C	S	.	.	S	Bend	trans	-71.7	178.2	176.3	-58.6	174.1	0	0	0	110.6	E100 T482 N483 T489 Y491 R506	E100-L485 HydrophobicContact CG-CD2 4.02Å; T482-L485 PolarHBondContact O-N 3.25Å; N483-L485 VanDerWaalsContact C-N 3.34Å; L485-T489 HydrophobicContact CB-CG2 4.11Å; L485-T489 HydrophobicContact CD1-CG2 4.11Å; L485-T489 HydrophobicContact CD2-CG2 4.33Å; L485-T489 HydrophobicContact CG-CG2 4.42Å; L485-Y491 HydrophobicContact CD1-CD1 3.8Å; L485-Y491 HydrophobicContact CD1-CG 3.9Å; L485-R506 PolarHBondContact O-NH1 3.27Å
486	F	98.7	Very high	97.5	Very high	39 Å²	39	42.1 Å²	42.1	17%	0.171	24%	0.241	C	C	.	.			trans	-82.6	152.9	165	-73.6	-56.3	0	0	0	110.9	Y62 F63 A65 R452 T489 R506	Y62-F486 HydrophobicContact CE2-CD2 4.29Å; F63-F486 HydrophobicContact CD2-CE2 4.17Å; F63-F486 HydrophobicContact CE2-CE2 4.11Å; F63-F486 HydrophobicContact CE2-CZ 4.41Å; A65-F486 VanDerWaalsContact CA-CE2 3.49Å; A65-F486 HydrophobicContact CB-CD1 4.19Å; A65-F486 HydrophobicContact CB-CD2 3.85Å; A65-F486 HydrophobicContact CB-CE1 4.17Å; A65-F486 HydrophobicContact CB-CE2 3.85Å; A65-F486 HydrophobicContact CB-CG 4.05Å; A65-F486 HydrophobicContact CB-CZ 4.02Å; R452-F486 HydrophobicContact CG-CE2 4.19Å; R452-F486 HydrophobicContact CG-CZ 3.63Å; F486-T489 PolarHBondContact N-OG1 2.84Å; F486-T489 VanDerWaalsContact O-CB 3.25Å; F486-T489 WeakPolarHBondContact O-CB 3.34Å; F486-T489 PolarHBondContact O-N 3.48Å; F486-T489 PolarHBondContact O-OG1 2.97Å; F486-T489 VanDerWaalsContact O-OG1 3.1Å; F486-R506 WeakPolarHBondContact O-CD 3.31Å
487	P	98.6	Very high	97.5	Very high	60 Å²	60	46.5 Å²	46.5	39%	0.39	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	138.5	171.5	-21.9	33.2	0	0	0	111.1	T489 P507 I508	P487-T489 VanDerWaalsContact C-N 3.29Å; P487-T489 PolarHBondContact O-N 3.26Å; P487-P507 WeakPolarHBondContact CA-O 3.45Å; P487-I508 VanDerWaalsContact CB-OXT 3.31Å; P487-I508 WeakPolarHBondContact CB-OXT 3.34Å
488	G	98.4	Very high	97.5	Very high	6 Å²	6	48.5 Å²	48.5	6%	0.062	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.2	0.4	-175.1	0	0	0	0	0	116	R505 R506 P507	G488-R505 PolarHBondContact O-NE 3.08Å; G488-R506 WeakPolarHBondContact CA-O 3.26Å; G488-R506 PolarHBondContact N-O 2.81Å; G488-P507 PolarHBondContact N-O 3.08Å
489	T	98.9	Very high	97.5	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.006	29%	0.289	C	S	.	.			trans	-69.3	130.2	175.2	-68.9	0	0	0	0	111.4	Y62 L485 F486 P487 R506	Y62-T489 HydrophobicContact CE2-CG2 4.42Å; Y62-T489 WeakPolarHBondContact CE2-OG1 3.28Å; Y62-T489 WeakPolarHBondContact OH-CG2 3.32Å; Y62-T489 PolarHBondContact OH-OG1 3.25Å; L485-T489 HydrophobicContact CB-CG2 4.11Å; L485-T489 HydrophobicContact CD1-CG2 4.11Å; L485-T489 HydrophobicContact CD2-CG2 4.33Å; L485-T489 HydrophobicContact CG-CG2 4.42Å; F486-T489 PolarHBondContact N-OG1 2.84Å; F486-T489 VanDerWaalsContact O-CB 3.25Å; F486-T489 WeakPolarHBondContact O-CB 3.34Å; F486-T489 PolarHBondContact O-N 3.48Å; F486-T489 PolarHBondContact O-OG1 2.97Å; F486-T489 VanDerWaalsContact O-OG1 3.1Å; P487-T489 VanDerWaalsContact C-N 3.29Å; P487-T489 PolarHBondContact O-N 3.26Å; T489-R506 PolarHBondContact O-N 3.29Å
490	W	98.9	Very high	97.7	Very high	45 Å²	45	57.8 Å²	57.8	17%	0.17	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	140.7	163.7	-73	81.9	0	0	0	110.8	S104 L107 T108 Q111 L148 A504 R505	S104-W490 VanDerWaalsContact CB-O 3.28Å; S104-W490 WeakPolarHBondContact CB-O 3.19Å; S104-W490 PolarHBondContact OG-O 3.07Å; L107-W490 HydrophobicContact CB-CB 3.94Å; L107-W490 HydrophobicContact CB-CD2 3.98Å; L107-W490 HydrophobicContact CB-CG 3.6Å; L107-W490 HydrophobicContact CD1-CB 4.48Å; L107-W490 HydrophobicContact CD1-CD2 4.1Å; L107-W490 HydrophobicContact CD1-CE3 4.05Å; L107-W490 HydrophobicContact CD1-CG 4.34Å; T108-W490 WeakPolarHBondContact OG1-CB 3.27Å; T108-W490 PolarHBondContact OG1-N 3.5Å; Q111-W490 VanDerWaalsContact OE1-CE2 3.25Å; Q111-W490 VanDerWaalsContact OE1-CZ2 3.3Å; L148-W490 HydrophobicContact CD2-CZ2 3.7Å; W490-A504 CarbonylContact C-O 3.56Å; W490-A504 WeakPolarHBondContact CA-O 3.35Å; W490-R505 HydrophobicContact CD2-CB 3.93Å; W490-R505 HydrophobicContact CD2-CG 4.2Å; W490-R505 HydrophobicContact CE3-CB 4.2Å; W490-R505 HydrophobicContact CG-CB 4.31Å; W490-R505 HydrophobicContact CG-CG 4.15Å; W490-R505 HydrophobicContact CZ2-CB 4.34Å
491	Y	98.9	Very high	98	Very high	39 Å²	39	59 Å²	59	15%	0.153	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	155.8	178.3	64	-88.7	0	0	0	111.1	Q99 T482 L485 E493 Y503 A504	Q99-Y491 CarbonylContact O-C 3.47Å; Q99-Y491 WeakPolarHBondContact O-CA 3.29Å; Q99-Y491 WeakPolarHBondContact O-CB 3.2Å; T482-Y491 HydrophobicContact CG2-CD1 4.37Å; T482-Y491 HydrophobicContact CG2-CD2 4.11Å; T482-Y491 HydrophobicContact CG2-CE1 3.97Å; T482-Y491 HydrophobicContact CG2-CE2 3.69Å; T482-Y491 HydrophobicContact CG2-CG 4.43Å; L485-Y491 HydrophobicContact CD1-CD1 3.8Å; L485-Y491 HydrophobicContact CD1-CG 3.9Å; Y491-E493 HydrophobicContact CE2-CB 4.38Å; Y491-E493 PolarHBondContact O-N 2.82Å; Y491-Y503 VanDerWaalsContact O-CA 3.32Å; Y491-Y503 WeakPolarHBondContact O-CA 3.32Å; Y491-A504 WeakPolarHBondContact CD1-O 3.39Å; Y491-A504 HydrophobicContact CE1-CB 3.99Å; Y491-A504 HydrophobicContact CE2-CB 3.96Å; Y491-A504 PolarHBondContact N-O 2.91Å; Y491-A504 PolarHBondContact O-N 3.48Å
492	L	98.8	Very high	98.2	Very high	4 Å²	4	60.6 Å²	60.6	2%	0.021	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	114.3	174.4	-179.2	63.7	0	0	0	109.1	Q99 F476 P478 V495 R501 Y503	Q99-L492 PolarHBondContact O-N 3.46Å; F476-L492 HydrophobicContact CZ-CD2 4.48Å; P478-L492 WeakPolarHBondContact CD-O 3.31Å; P478-L492 HydrophobicContact CG-CB 3.93Å; P478-L492 HydrophobicContact CG-CD2 3.65Å; P478-L492 HydrophobicContact CG-CG 3.59Å; P478-L492 VanDerWaalsContact CG-O 3.28Å; P478-L492 WeakPolarHBondContact CG-O 3.45Å; L492-V495 HydrophobicContact CD1-CG2 4.06Å; L492-V495 HydrophobicContact CD2-CG2 3.78Å; L492-V495 HydrophobicContact CG-CG2 4.26Å; L492-R501 HydrophobicContact CD1-CB 3.74Å; L492-R501 HydrophobicContact CD1-CG 4.15Å; L492-Y503 HydrophobicContact CB-CD1 4.38Å; L492-Y503 HydrophobicContact CB-CE1 4.14Å; L492-Y503 HydrophobicContact CD1-CD1 4.3Å; L492-Y503 HydrophobicContact CD1-CE1 3.79Å
493	E	98.6	Very high	98.4	Very high	69 Å²	69	60 Å²	60	32%	0.322	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	-39.9	179.1	-176.2	-175.7	-120.5	0	0	111	S477 P478 Y491 K502 A504	S477-E493 WeakPolarHBondContact CB-O 3.41Å; S477-E493 PolarHBondContact OG-O 2.92Å; S477-E493 VanDerWaalsContact OG-O 3.04Å; P478-E493 WeakPolarHBondContact CD-O 3.35Å; Y491-E493 HydrophobicContact CE2-CB 4.38Å; Y491-E493 PolarHBondContact O-N 2.82Å; E493-K502 PolarHBondContact N-O 3.24Å; E493-K502 WeakPolarHBondContact OE2-CD 3.46Å; E493-K502 WeakPolarHBondContact OE2-CE 3.48Å; E493-K502 IonicContact OE2-NZ 2.91Å; E493-K502 PolarHBondContact OE2-NZ 3.24Å; E493-A504 HydrophobicContact CB-CB 4.27Å
494	R	98.6	Very high	98.5	Very high	79 Å²	79	56 Å²	56	30%	0.298	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	139	-171.3	-167.3	77	168.3	97.5	0.8	111.3	N475 F476 S477 R501 K502	N475-R494 PolarHBondContact O-NH1 2.76Å; N475-R494 PolarHBondContact OD1-NH1 3.35Å; N475-R494 PolarHBondContact OD1-NH2 3.17Å; F476-R494 PolarHBondContact O-NH1 3.4Å; S477-R494 WeakPolarHBondContact OG-CD 3.3Å; R494-R501 WeakPolarHBondContact O-CA 3.31Å; R494-K502 HydrophobicContact CB-CB 4.22Å; R494-K502 PolarHBondContact N-O 2.89Å; R494-K502 PolarHBondContact O-N 3.08Å
495	V	98.8	Very high	98.6	Very high	3 Å²	3	56 Å²	56	2%	0.018	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	120.2	155.9	-173.6	0	0	0	0	107	N475 F476 L492 R500 R501	N475-V495 CarbonylContact C-O 3.48Å; N475-V495 WeakPolarHBondContact CA-O 3.44Å; N475-V495 PolarHBondContact N-O 3Å; F476-V495 HydrophobicContact CD1-CB 3.86Å; F476-V495 HydrophobicContact CD1-CG2 4.16Å; F476-V495 HydrophobicContact CE1-CB 3.58Å; F476-V495 HydrophobicContact CE1-CG1 4.29Å; F476-V495 HydrophobicContact CE1-CG2 3.41Å; F476-V495 VanDerWaalsContact CE1-CG2 3.41Å; F476-V495 HydrophobicContact CZ-CB 4.32Å; F476-V495 HydrophobicContact CZ-CG2 3.7Å; F476-V495 PolarHBondContact N-O 2.63Å; F476-V495 PolarHBondContact O-N 2.93Å; F476-V495 VanDerWaalsContact O-O 3.09Å; L492-V495 HydrophobicContact CD1-CG2 4.06Å; L492-V495 HydrophobicContact CD2-CG2 3.78Å; L492-V495 HydrophobicContact CG-CG2 4.26Å; V495-R500 WeakPolarHBondContact CA-O 3.49Å; V495-R501 HydrophobicContact CG2-CG 4.21Å
496	D	98.6	Very high	98.6	Very high	25 Å²	25	58 Å²	58	13%	0.134	26%	0.26	C	S	.	.			trans	-84.7	-177.1	-179.7	74.4	12.8	0	0	0	112.8	N475 L498 H499 R500	N475-D496 PolarHBondContact N-O 2.94Å; D496-L498 PolarHBondContact O-N 3.3Å; D496-L498 WeakPolarHBondContact OD1-CA 3.11Å; D496-L498 PolarHBondContact OD1-N 3.41Å; D496-H499 PolarHBondContact O-N 3.42Å; D496-H499 VanDerWaalsContact O-N 3.14Å; D496-H499 PolarHBondContact OD1-N 3.34Å; D496-R500 PolarHBondContact N-O 3.19Å; D496-R500 VanDerWaalsContact N-O 3.08Å; D496-R500 WeakPolarHBondContact OD1-CB 3.42Å; D496-R500 PolarHBondContact OD1-N 3.45Å; D496-R500 IonicContact OD1-NE 2.86Å; D496-R500 IonicContact OD2-CZ 3.5Å; D496-R500 IonicContact OD2-NE 3.48Å; D496-R500 PolarHBondContact OD2-NE 3.34Å; D496-R500 IonicContact OD2-NH2 2.84Å; D496-R500 PolarHBondContact OD2-NH2 2.97Å
497	E	98.2	Very high	98.4	Very high	110 Å²	110	61.2 Å²	61.2	51%	0.514	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-19.5	-179.8	66.1	-73.2	168.3	0	0	114.4	N475 R500	N475-E497 HydrophobicContact CB-CB 4.34Å; E497-R500 IonicContact OE1-NH2 3.39Å
498	L	98.2	Very high	97.9	Very high	113 Å²	113	66 Å²	66	59%	0.592	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.5	15.5	177	-59.5	-176.4	0	0	0	112.3	D496 R500	D496-L498 PolarHBondContact O-N 3.3Å; D496-L498 WeakPolarHBondContact OD1-CA 3.11Å; D496-L498 PolarHBondContact OD1-N 3.41Å; L498-R500 HydrophobicContact CB-CG 4.28Å; L498-R500 PolarHBondContact O-N 2.87Å
499	H	98.2	Very high	97.9	Very high	116 Å²	116	69.1 Å²	69.1	54%	0.537	32%	0.318	S	S	.	.			trans	62.3	16.5	-177.3	-56.1	71.4	0	0	0	114.2	D496 R501	D496-H499 PolarHBondContact O-N 3.42Å; D496-H499 VanDerWaalsContact O-N 3.14Å; D496-H499 PolarHBondContact OD1-N 3.34Å; H499-R501 PolarHBondContact O-N 3.38Å
500	R	98.7	Very high	97.8	Very high	144 Å²	144	72.6 Å²	72.6	54%	0.543	34%	0.335	S	S	.	.			trans	-74	129.1	174.1	-57.4	173.9	-65.8	-167.4	-1.7	108	V495 D496 E497 L498	V495-R500 WeakPolarHBondContact CA-O 3.49Å; D496-R500 PolarHBondContact N-O 3.19Å; D496-R500 VanDerWaalsContact N-O 3.08Å; D496-R500 WeakPolarHBondContact OD1-CB 3.42Å; D496-R500 PolarHBondContact OD1-N 3.45Å; D496-R500 IonicContact OD1-NE 2.86Å; D496-R500 IonicContact OD2-CZ 3.5Å; D496-R500 IonicContact OD2-NE 3.48Å; D496-R500 PolarHBondContact OD2-NE 3.34Å; D496-R500 IonicContact OD2-NH2 2.84Å; D496-R500 PolarHBondContact OD2-NH2 2.97Å; E497-R500 IonicContact OE1-NH2 3.39Å; L498-R500 HydrophobicContact CB-CG 4.28Å; L498-R500 PolarHBondContact O-N 2.87Å
501	R	98.8	Very high	97.8	Very high	79 Å²	79	74.2 Å²	74.2	30%	0.298	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	126.1	-178.2	-59	-169.2	179	-134.7	-3.7	109.6	D101 L492 R494 V495 H499 Y503	D101-R501 WeakPolarHBondContact OD2-CD 3.43Å; D101-R501 IonicContact OD2-CZ 3.55Å; D101-R501 IonicContact OD2-NE 2.7Å; D101-R501 IonicContact OD2-NH1 2.72Å; D101-R501 PolarHBondContact OD2-NH1 2.87Å; L492-R501 HydrophobicContact CD1-CB 3.74Å; L492-R501 HydrophobicContact CD1-CG 4.15Å; R494-R501 WeakPolarHBondContact O-CA 3.31Å; V495-R501 HydrophobicContact CG2-CG 4.21Å; H499-R501 PolarHBondContact O-N 3.38Å; R501-Y503 HydrophobicContact CB-CE2 3.75Å; R501-Y503 WeakPolarHBondContact CB-OH 3.49Å; R501-Y503 WeakPolarHBondContact CD-OH 3.41Å
502	K	98.8	Very high	97.7	Very high	124 Å²	124	76.2 Å²	76.2	54%	0.539	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	135	173.4	-172.7	178.6	175.6	-139.9	0	109.3	E493 R494	E493-K502 PolarHBondContact N-O 3.24Å; E493-K502 WeakPolarHBondContact OE2-CD 3.46Å; E493-K502 WeakPolarHBondContact OE2-CE 3.48Å; E493-K502 IonicContact OE2-NZ 2.91Å; E493-K502 PolarHBondContact OE2-NZ 3.24Å; R494-K502 HydrophobicContact CB-CB 4.22Å; R494-K502 PolarHBondContact N-O 2.89Å; R494-K502 PolarHBondContact O-N 3.08Å
503	Y	98.8	Very high	97.7	Very high	31 Å²	31	80.8 Å²	80.8	12%	0.122	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	149.6	-178.3	-58.7	-82.2	0	0	0	110.8	D101 N103 L107 V144 Y491 L492 R501	D101-Y503 VanDerWaalsContact OD1-CE1 3.3Å; D101-Y503 WeakPolarHBondContact OD1-CE1 3.34Å; D101-Y503 PolarHBondContact OD1-OH 3.36Å; D101-Y503 WeakPolarHBondContact OD2-CE1 3.31Å; D101-Y503 PolarHBondContact OD2-OH 3.37Å; N103-Y503 HydrophobicContact CB-CE1 4.02Å; N103-Y503 HydrophobicContact CB-CE2 3.98Å; N103-Y503 VanDerWaalsContact CB-OH 3.31Å; N103-Y503 WeakPolarHBondContact CB-OH 3.33Å; N103-Y503 PolarHBondContact ND2-OH 3.43Å; L107-Y503 HydrophobicContact CD1-CD1 4.46Å; L107-Y503 HydrophobicContact CD1-CD2 4.15Å; L107-Y503 HydrophobicContact CD1-CG 3.99Å; V144-Y503 HydrophobicContact CG1-CD2 4.37Å; V144-Y503 HydrophobicContact CG1-CE2 4.06Å; Y491-Y503 VanDerWaalsContact O-CA 3.32Å; Y491-Y503 WeakPolarHBondContact O-CA 3.32Å; L492-Y503 HydrophobicContact CB-CD1 4.38Å; L492-Y503 HydrophobicContact CB-CE1 4.14Å; L492-Y503 HydrophobicContact CD1-CD1 4.3Å; L492-Y503 HydrophobicContact CD1-CE1 3.79Å; R501-Y503 HydrophobicContact CB-CE2 3.75Å; R501-Y503 WeakPolarHBondContact CB-OH 3.49Å; R501-Y503 WeakPolarHBondContact CD-OH 3.41Å
504	A	98.6	Very high	97.6	Very high	19 Å²	19	81.5 Å²	81.5	16%	0.157	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	162	170.4	0	0	0	0	0	108.9	W490 Y491 E493	W490-A504 CarbonylContact C-O 3.56Å; W490-A504 WeakPolarHBondContact CA-O 3.35Å; Y491-A504 WeakPolarHBondContact CD1-O 3.39Å; Y491-A504 HydrophobicContact CE1-CB 3.99Å; Y491-A504 HydrophobicContact CE2-CB 3.96Å; Y491-A504 PolarHBondContact N-O 2.91Å; Y491-A504 PolarHBondContact O-N 3.48Å; E493-A504 HydrophobicContact CB-CB 4.27Å
505	R	98.6	Very high	97.5	Very high	61 Å²	61	81.7 Å²	81.7	23%	0.23	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	129.4	-178.4	-164.4	-175.5	-176	-155.9	4	110.1	Q111 E115 G488 W490	Q111-R505 VanDerWaalsContact CD-CZ 3.4Å; Q111-R505 VanDerWaalsContact CD-NH1 3.25Å; E115-R505 IonicContact OE1-CZ 3.7Å; E115-R505 IonicContact OE1-NH1 2.87Å; E115-R505 PolarHBondContact OE1-NH1 3.2Å; E115-R505 IonicContact OE1-NH2 3.97Å; E115-R505 PolarHBondContact OE1-NH2 3Å; E115-R505 IonicContact OE2-CZ 3.67Å; E115-R505 IonicContact OE2-NH1 3.69Å; E115-R505 PolarHBondContact OE2-NH1 2.66Å; E115-R505 IonicContact OE2-NH2 3.34Å; E115-R505 PolarHBondContact OE2-NH2 3.48Å; G488-R505 PolarHBondContact O-NE 3.08Å; W490-R505 HydrophobicContact CD2-CB 3.93Å; W490-R505 HydrophobicContact CD2-CG 4.2Å; W490-R505 HydrophobicContact CE3-CB 4.2Å; W490-R505 HydrophobicContact CG-CB 4.31Å; W490-R505 HydrophobicContact CG-CG 4.15Å; W490-R505 HydrophobicContact CZ2-CB 4.34Å
506	R	98.1	Very high	97.4	Very high	50 Å²	50	87.8 Å²	87.8	19%	0.189	41%	0.414	C	S	.	.			trans	-64.6	132.2	170.3	-170.2	-169.5	178	-162.5	7.9	108.9	T482 N483 L485 F486 G488 T489	T482-R506 WeakPolarHBondContact O-CD 3.27Å; T482-R506 PolarHBondContact O-NE 2.92Å; N483-R506 PolarHBondContact O-NH2 3.48Å; L485-R506 PolarHBondContact O-NH1 3.27Å; F486-R506 WeakPolarHBondContact O-CD 3.31Å; G488-R506 WeakPolarHBondContact CA-O 3.26Å; G488-R506 PolarHBondContact N-O 2.81Å; T489-R506 PolarHBondContact O-N 3.29Å
507	P	95.4	Very high	97.3	Very high	107 Å²	107	93 Å²	93	70%	0.695	44%	0.437	S	S	*	.			trans	-53.4	152.2	173.4	-26.8	35.6	0	0	0	113	P487 G488	P487-P507 WeakPolarHBondContact CA-O 3.45Å; G488-P507 PolarHBondContact N-O 3.08Å
508	I	87.8	Confident	97.3	Very high	162 Å²	162	91.5 Å²	91.5	83%	0.831	43%	0.43	S	S	*	.			trans	-79.9	0	175.9	-63.4	176.5	0	0	0	110.4	P487	P487-I508 VanDerWaalsContact CB-OXT 3.31Å; P487-I508 WeakPolarHBondContact CB-OXT 3.34Å

Retrieved 508 of 508 residues in 1144.9 ms (Link to these results)

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