A0A096N7A2_PAPAN Loading...

thioredoxin-dependent peroxiredoxin

AlphaFold DB (G7NSP2), UniProt , Accession A0A096N7A2, Species PAPAN (Papio anubis, Olive baboon), Gene PRDX4, Length 271 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.6	Very low	35.5	Very low	234 Å²	234	137.9 Å²	137.9	100%	1.153	82%	0.819	S	S	*	*				0	119.7	0	-77.2	170.7	133.9	0	0	106.7
2	E	38.2	Very low	35.2	Very low	169 Å²	169	137.3 Å²	137.3	79%	0.79	82%	0.821	S	S	*	*			cis	-169.4	129.2	-7.7	-129	173.4	154.7	0	0	102.6
3	A	35.8	Very low	34.9	Very low	88 Å²	88	133.8 Å²	133.8	73%	0.727	82%	0.817	S	S	*	*			trans	-76.3	148.5	162.5	0	0	0	0	0	107.8
4	L	34.4	Very low	34.5	Very low	159 Å²	159	138.9 Å²	138.9	83%	0.832	83%	0.827	S	S	*	*			trans	-167.9	140.9	133.6	-99.8	150.7	0	0	0	111.5
5	P	53	Low	34.1	Very low	103 Å²	103	134.7 Å²	134.7	67%	0.669	82%	0.823	S	S	*	*			trans	-101.5	-173.5	179.3	40.8	-28.8	0	0	0	111
6	L	32.1	Very low	34	Very low	152 Å²	152	140.4 Å²	140.4	80%	0.796	83%	0.825	S	S	*	*			trans	169.6	148.5	153	-86.3	142.7	0	0	0	106.2
7	L	32.7	Very low	34	Very low	150 Å²	150	143.8 Å²	143.8	79%	0.785	83%	0.83	S	S	*	*			cis	-164.7	141	22.9	-132.3	145.7	0	0	0	108.7
8	A	29.6	Very low	34.1	Very low	90 Å²	90	148.5 Å²	148.5	74%	0.744	83%	0.832	S	S	*	*			trans	-78.3	150.8	170	0	0	0	0	0	111.6
9	A	33.1	Very low	34.3	Very low	106 Å²	106	153.5 Å²	153.5	88%	0.876	84%	0.837	S	S	*	*			trans	-115.1	127.6	168.4	0	0	0	0	0	110.4
10	T	30.6	Very low	34.5	Very low	136 Å²	136	153.6 Å²	153.6	83%	0.834	84%	0.835	S	S	*	*			trans	-83.3	156.9	-176.5	42.8	0	0	0	0	113.4
11	T	31.9	Very low	34.6	Very low	130 Å²	130	153.7 Å²	153.7	80%	0.798	83%	0.834	S	S	*	*			trans	-62.7	171.9	173.2	39.9	0	0	0	0	114.2
12	P	31.7	Very low	34.3	Very low	131 Å²	131	149.9 Å²	149.9	85%	0.851	82%	0.818	S	S	*	*				-137.7	160.4	107.4	35.5	-21.9	0	0	0	115.1
13	A	31	Very low	34.3	Very low	92 Å²	92	148.6 Å²	148.6	76%	0.76	82%	0.816	S	S	*	*			trans	-93.6	158.7	-175.4	0	0	0	0	0	113.7
14	Q	30.1	Very low	34.7	Very low	205 Å²	205	149.9 Å²	149.9	96%	0.958	82%	0.817	S	S	*	*			trans	176.7	138.8	148.5	-101.7	171.1	1.6	0	0	106.9
15	G	27.1	Very low	34.8	Very low	75 Å²	75	148.8 Å²	148.8	77%	0.773	81%	0.811	S	S	*	*			cis	-170	161.9	6.9	0	0	0	0	0	109.7
16	R	33.1	Very low	34	Very low	227 Å²	227	150.7 Å²	150.7	86%	0.857	82%	0.815	S	S	*	*			trans	-64.5	147.2	-178.1	-73.5	168.7	166.1	169.9	-3.9	113
17	H	33.7	Very low	34.1	Very low	197 Å²	197	150 Å²	150	91%	0.912	81%	0.811	S	S	*	*			trans	-150.4	123.3	130	-97.6	-67.7	0	0	0	111.9
18	R	36.9	Very low	34.2	Very low	229 Å²	229	152 Å²	152	86%	0.864	81%	0.814	S	S	*	*			trans	-75.2	138.8	168.3	-70.5	174.9	166.9	-172	-4.9	109.4
19	R	37.7	Very low	34.3	Very low	243 Å²	243	153.8 Å²	153.8	92%	0.917	81%	0.81	S	S	*	*			trans	-140.1	118	145.3	-80.6	-164.4	177.5	-162.8	-0.8	111.2
20	L	37.9	Very low	34.3	Very low	155 Å²	155	155.7 Å²	155.7	81%	0.812	81%	0.805	S	S	*	*			trans	-71.3	144.2	163.5	-144.5	82.1	0	0	0	108.7
21	L	36.2	Very low	34.5	Very low	156 Å²	156	155.3 Å²	155.3	82%	0.817	81%	0.805	S	S	*	*			trans	-178.9	94	156.3	-94.2	148.4	0	0	0	106.9
22	L	33.7	Very low	34.7	Very low	155 Å²	155	153.8 Å²	153.8	81%	0.812	81%	0.806	S	S	*	*				57.4	112.7	91.3	-82.8	157.8	0	0	0	115.1
23	L	38.8	Very low	34.7	Very low	142 Å²	142	151.2 Å²	151.2	74%	0.743	80%	0.803	S	S	*	*			trans	-59.6	165.6	171.4	-114.6	97.9	0	0	0	112.9	L25	L23-L25 HydrophobicContact CD2-CD1 3.77Å
24	P	42.7	Very low	34.6	Very low	114 Å²	114	151.5 Å²	151.5	74%	0.74	81%	0.805	S	S	*	*				-145.3	148	102.1	31.9	-13.2	0	0	0	116.9
25	L	37.3	Very low	35.1	Very low	137 Å²	137	148.7 Å²	148.7	72%	0.717	80%	0.802	S	S	*	*			trans	-48.9	143.3	155.3	-91.2	79.7	0	0	0	111.3	L23	L23-L25 HydrophobicContact CD2-CD1 3.77Å
26	L	36.3	Very low	35.3	Very low	142 Å²	142	156.5 Å²	156.5	74%	0.743	81%	0.808	S	S	*	*			trans	-121.5	104.5	157.7	-113.4	117	0	0	0	110.4	F28	L26-F28 HydrophobicContact CD2-CD2 3.59Å; L26-F28 HydrophobicContact CD2-CE2 3.28Å; L26-F28 HydrophobicContact CD2-CZ 4.33Å
27	L	34.2	Very low	35	Very low	138 Å²	138	149.1 Å²	149.1	72%	0.723	80%	0.803	S	S	*	*			trans	-85.4	126.7	164.5	-155.9	89.9	0	0	0	106.6	L29	L27-L29 HydrophobicContact CD2-CD1 4.02Å
28	F	34.4	Very low	34.7	Very low	192 Å²	192	151.6 Å²	151.6	84%	0.842	80%	0.804	S	S	*	*			trans	-117.9	116.7	168.5	-105.7	-74.8	0	0	0	110	L26	L26-F28 HydrophobicContact CD2-CD2 3.59Å; L26-F28 HydrophobicContact CD2-CE2 3.28Å; L26-F28 HydrophobicContact CD2-CZ 4.33Å
29	L	31.7	Very low	34.4	Very low	128 Å²	128	149.7 Å²	149.7	67%	0.67	81%	0.805	S	S	*	*			trans	-111.1	127	173	-90.7	158.1	0	0	0	109.1	L27	L27-L29 HydrophobicContact CD2-CD1 4.02Å
30	L	33.7	Very low	34.2	Very low	146 Å²	146	144 Å²	144	76%	0.764	80%	0.797	S	S	*	*			trans	69	144.1	140.2	-72.1	167.8	0	0	0	120
31	P	34.1	Very low	34	Very low	127 Å²	127	145.1 Å²	145.1	83%	0.825	80%	0.799	S	S	*	*				-140.3	164.6	64.9	35.7	-15.6	0	0	0	118
32	A	36.8	Very low	34	Very low	99 Å²	99	145.3 Å²	145.3	82%	0.818	80%	0.8	S	S	*	*			trans	-67.9	145.5	171.8	0	0	0	0	0	112.9
33	G	31.1	Very low	34.2	Very low	77 Å²	77	148 Å²	148	79%	0.794	80%	0.8	S	S	*	*			trans	170.1	122.6	164.5	0	0	0	0	0	114.5
34	A	29.3	Very low	34.2	Very low	98 Å²	98	146.9 Å²	146.9	81%	0.81	80%	0.801	S	S	*	*			trans	85.8	88.2	160.8	0	0	0	0	0	119	R36	A34-R36 PolarHBondContact O-N 3.26Å
35	V	40.6	Very low	34.1	Very low	146 Å²	146	151.2 Å²	151.2	89%	0.885	80%	0.803	S	S	*	*			trans	-58.3	119.7	147.2	175.7	0	0	0	0	109.1
36	R	30.6	Very low	34.6	Very low	238 Å²	238	149 Å²	149	90%	0.898	80%	0.795	S	S	*	*			trans	-149.3	121.5	157.7	-79.7	-165.6	-177.8	-169.1	-0.2	111	A34	A34-R36 PolarHBondContact O-N 3.26Å
37	G	28	Very low	35.3	Very low	73 Å²	73	153 Å²	153	75%	0.753	80%	0.8	S	S	*	*			trans	70.5	103.7	141.1	0	0	0	0	0	117.8	E39	G37-E39 PolarHBondContact O-N 2.79Å
38	W	27	Very low	36.2	Very low	249 Å²	249	154 Å²	154	94%	0.943	80%	0.801	S	S	*	*			trans	-60.5	114.6	147	-97.4	-62.4	0	0	0	108.8
39	E	30.4	Very low	36.9	Very low	189 Å²	189	151.2 Å²	151.2	88%	0.883	79%	0.791	S	S	*	*			trans	-113.4	99.2	151.9	-81.9	176.4	161.1	0	0	106.4	G37 E41	G37-E39 PolarHBondContact O-N 2.79Å; E39-E41 PolarHBondContact O-N 2.62Å
40	T	33	Very low	38	Very low	122 Å²	122	151 Å²	151	75%	0.748	79%	0.786	S	S	*	*			trans	-66.4	104	164	28.9	0	0	0	0	107.8	D42	T40-D42 PolarHBondContact O-N 3.29Å; T40-D42 VanDerWaalsContact O-N 3.13Å
41	E	33.8	Very low	38.9	Very low	180 Å²	180	145.6 Å²	145.6	84%	0.841	76%	0.76	S	S	*	*			trans	-70.3	101.3	166.9	-157.5	169.9	-173.2	0	0	107.7	E39 R43	E39-E41 PolarHBondContact O-N 2.62Å; E41-R43 VanDerWaalsContact C-N 3.35Å; E41-R43 PolarHBondContact O-N 3.27Å
42	D	36.7	Very low	40.4	Very low	160 Å²	160	144 Å²	144	86%	0.856	74%	0.741	S	S	*	*			trans	-72.6	85.8	-175.1	-141.6	7.4	0	0	0	109.3	T40	T40-D42 PolarHBondContact O-N 3.29Å; T40-D42 VanDerWaalsContact O-N 3.13Å
43	R	38.4	Very low	41.3	Very low	211 Å²	211	145.8 Å²	145.8	80%	0.796	73%	0.731	S	S	*	*			trans	-72.3	129.6	170.8	-115.4	-173.8	-83.7	-171.3	-5.5	108.3	E41 R45	E41-R43 VanDerWaalsContact C-N 3.35Å; E41-R43 PolarHBondContact O-N 3.27Å; R43-R45 PolarHBondContact O-N 3.48Å; R43-R45 VanDerWaalsContact O-N 3.09Å
44	P	39	Very low	42.2	Very low	118 Å²	118	150.6 Å²	150.6	77%	0.766	73%	0.726	S	S	*	*			trans	-64.4	118.1	179.1	23	-27.6	0	0	0	109.1	T46	P44-T46 PolarHBondContact O-N 3.22Å; P44-T46 VanDerWaalsContact O-N 3.08Å
45	R	39.8	Very low	43.1	Very low	206 Å²	206	151.6 Å²	151.6	78%	0.777	74%	0.735	S	S	*	*			trans	-55.6	113.9	174.3	-71.4	-177.1	-170.9	166.6	2.9	108.8	R43	R43-R45 PolarHBondContact O-N 3.48Å; R43-R45 VanDerWaalsContact O-N 3.09Å
46	T	48.8	Very low	43.9	Very low	90 Å²	90	148.6 Å²	148.6	55%	0.552	73%	0.733	S	S	*	*			trans	-67.7	149	168.1	45.3	0	0	0	0	108.4	P44 E48 E49	P44-T46 PolarHBondContact O-N 3.22Å; P44-T46 VanDerWaalsContact O-N 3.08Å; T46-E48 PolarHBondContact O-N 3.29Å; T46-E49 PolarHBondContact O-N 3.37Å
47	R	49.3	Very low	44.8	Very low	226 Å²	226	138.8 Å²	138.8	85%	0.853	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.3	5.5	-172.8	-152.4	-178.7	-179	-173	0.2	115.2
48	E	53.1	Low	46	Very low	158 Å²	158	141 Å²	141	74%	0.738	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.1	-6.3	-174.6	-66.8	-179.6	158	0	0	113.2	T46 P61	T46-E48 PolarHBondContact O-N 3.29Å; E48-P61 VanDerWaalsContact O-CG 3.24Å; E48-P61 WeakPolarHBondContact O-CG 3.39Å
49	E	50.2	Low	47.5	Very low	135 Å²	135	133.2 Å²	133.2	63%	0.631	68%	0.677	S	S	*	*	S	Bend	trans	-101.6	7.4	179.8	-64.8	-174.3	158.5	0	0	114	T46	T46-E49 PolarHBondContact O-N 3.37Å
50	E	54.6	Low	48.8	Very low	122 Å²	122	132.3 Å²	132.3	57%	0.57	67%	0.667	S	S	*	*	S	Bend	trans	-89.8	135.4	-179.1	-74.7	-173.7	162	0	0	112.6	H52	E50-H52 PolarHBondContact O-CD2 3.5Å; E50-H52 PolarHBondContact O-N 3.21Å
51	C	53	Low	49.7	Very low	33 Å²	33	129.8 Å²	129.8	22%	0.223	65%	0.652	C	S	.	*	P	Polyproline II helix	trans	-66.5	124.9	178	-153.6	0	0	0	0	110.1	V59 Y60	C51-V59 PolarHBondContact SG-O 3.13Å; C51-V59 VanDerWaalsContact SG-O 3.33Å; C51-Y60 HydrophobicContact CB-CD1 4.29Å; C51-Y60 HydrophobicContact CB-CE1 4.23Å
52	H	65.3	Low	50.5	Low	93 Å²	93	124 Å²	124	43%	0.431	64%	0.64	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-95.1	140.1	179.6	-65.1	-65.7	0	0	0	110.9	E50 Y54 V59	E50-H52 PolarHBondContact O-CD2 3.5Å; E50-H52 PolarHBondContact O-N 3.21Å; H52-Y54 HydrophobicContact CB-CD2 4.22Å; H52-Y54 HydrophobicContact CB-CE2 3.97Å; H52-V59 PolarHBondContact N-O 3.35Å; H52-V59 PolarHBondContact O-N 3.38Å
53	F	54.5	Low	51.3	Low	138 Å²	138	125.5 Å²	125.5	61%	0.605	64%	0.642	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-101.3	119.1	175	-73.6	-97.9	0	0	0	110.4	G57 Q58	F53-G57 WeakPolarHBondContact CA-O 3.45Å; F53-Q58 HydrophobicContact CD1-CG 3.59Å; F53-Q58 HydrophobicContact CD2-CG 4.37Å; F53-Q58 HydrophobicContact CE1-CB 4.39Å; F53-Q58 HydrophobicContact CE1-CG 3.08Å; F53-Q58 HydrophobicContact CE2-CG 3.92Å; F53-Q58 HydrophobicContact CG-CG 4.26Å; F53-Q58 HydrophobicContact CZ-CG 3.3Å
54	Y	50.3	Low	52	Low	177 Å²	177	119.7 Å²	119.7	69%	0.694	64%	0.64	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-126.5	133.8	170.3	-75.7	-85.1	0	0	0	109	H52 G56 G57	H52-Y54 HydrophobicContact CB-CD2 4.22Å; H52-Y54 HydrophobicContact CB-CE2 3.97Å; Y54-G56 PolarHBondContact O-N 2.8Å; Y54-G57 PolarHBondContact N-O 2.91Å; Y54-G57 PolarHBondContact O-N 2.96Å; Y54-G57 VanDerWaalsContact O-N 3.07Å
55	A	47.8	Very low	52.5	Low	120 Å²	120	118.4 Å²	118.4	99%	0.992	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	49	36.1	175.3	0	0	0	0	0	115.5
56	G	59.1	Low	53.1	Low	82 Å²	82	119.8 Å²	119.8	85%	0.845	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	83	7.1	176.7	0	0	0	0	0	115.9	Y54	Y54-G56 PolarHBondContact O-N 2.8Å
57	G	49.6	Very low	53.2	Low	32 Å²	32	119.4 Å²	119.4	33%	0.33	64%	0.636	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-115.7	150.2	171.7	0	0	0	0	0	112.8	F53 Y54	F53-G57 WeakPolarHBondContact CA-O 3.45Å; Y54-G57 PolarHBondContact N-O 2.91Å; Y54-G57 PolarHBondContact O-N 2.96Å; Y54-G57 VanDerWaalsContact O-N 3.07Å
58	Q	51.7	Low	53.2	Low	119 Å²	119	112 Å²	112	56%	0.556	62%	0.619	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-85.3	128.1	169	-77.3	-177	-34.2	0	0	110.1	F53	F53-Q58 HydrophobicContact CD1-CG 3.59Å; F53-Q58 HydrophobicContact CD2-CG 4.37Å; F53-Q58 HydrophobicContact CE1-CB 4.39Å; F53-Q58 HydrophobicContact CE1-CG 3.08Å; F53-Q58 HydrophobicContact CE2-CG 3.92Å; F53-Q58 HydrophobicContact CG-CG 4.26Å; F53-Q58 HydrophobicContact CZ-CG 3.3Å
59	V	58.8	Low	53.3	Low	86 Å²	86	110.5 Å²	110.5	52%	0.521	62%	0.62	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-121.7	120.9	172.6	-172.2	0	0	0	0	108.4	C51 H52	C51-V59 PolarHBondContact SG-O 3.13Å; C51-V59 VanDerWaalsContact SG-O 3.33Å; H52-V59 PolarHBondContact N-O 3.35Å; H52-V59 PolarHBondContact O-N 3.38Å
60	Y	57	Low	53.6	Low	171 Å²	171	108 Å²	108	67%	0.671	62%	0.623	S	S	*	*			trans	-75.4	138.6	170.4	-73.6	-86	0	0	0	108.9	C51 G62	C51-Y60 HydrophobicContact CB-CD1 4.29Å; C51-Y60 HydrophobicContact CB-CE1 4.23Å; Y60-G62 PolarHBondContact O-N 3.3Å
61	P	52.6	Low	53.8	Low	68 Å²	68	108.4 Å²	108.4	44%	0.442	63%	0.629	S	S	.	*			trans	-73.3	67.4	167.9	32	-31.3	0	0	0	108.5	E48	E48-P61 VanDerWaalsContact O-CG 3.24Å; E48-P61 WeakPolarHBondContact O-CG 3.39Å
62	G	51.6	Low	54.1	Low	58 Å²	58	112.7 Å²	112.7	60%	0.598	65%	0.646	S	S	*	*			trans	-70.1	132.5	158.8	0	0	0	0	0	106.5	Y60 A64	Y60-G62 PolarHBondContact O-N 3.3Å; G62-A64 VanDerWaalsContact C-N 3.34Å; G62-A64 PolarHBondContact O-N 3.42Å
63	E	52.6	Low	54.3	Low	192 Å²	192	114 Å²	114	90%	0.897	67%	0.665	S	S	*	*			trans	-36.7	99.9	173.1	-72.7	171.1	141.5	0	0	109.7	S65	E63-S65 PolarHBondContact O-N 2.86Å
64	A	52.5	Low	55.6	Low	90 Å²	90	114.5 Å²	114.5	74%	0.744	67%	0.673	S	S	*	*			trans	-66.2	69.8	146.6	0	0	0	0	0	104.5	G62 R66	G62-A64 VanDerWaalsContact C-N 3.34Å; G62-A64 PolarHBondContact O-N 3.42Å; A64-R66 PolarHBondContact O-N 3.42Å
65	S	50.1	Low	57.3	Low	91 Å²	91	112.8 Å²	112.8	64%	0.636	67%	0.671	S	S	*	*			trans	-45.4	103.6	150.5	171.3	0	0	0	0	102.9	E63 V67	E63-S65 PolarHBondContact O-N 2.86Å; S65-V67 PolarHBondContact O-N 2.8Å
66	R	53.8	Low	59.5	Low	235 Å²	235	113.6 Å²	113.6	89%	0.887	66%	0.658	S	S	*	*			trans	-59.5	94.2	169.1	-71	174.9	169	167.8	-3.3	102.9	A64 S68	A64-R66 PolarHBondContact O-N 3.42Å; R66-S68 PolarHBondContact O-N 3.4Å
67	V	49.8	Very low	61.3	Low	82 Å²	82	111.8 Å²	111.8	50%	0.497	63%	0.632	S	S	.	*			trans	-48.7	118.1	168.3	179.5	0	0	0	0	104.1	S65 V69	S65-V67 PolarHBondContact O-N 2.8Å; V67-V69 PolarHBondContact O-N 3.43Å; V67-V69 VanDerWaalsContact O-N 3.14Å
68	S	50.2	Low	63.6	Low	71 Å²	71	116 Å²	116	50%	0.497	64%	0.642	S	S	.	*			trans	-47	124.7	176.6	166.5	0	0	0	0	107.6	R66 A70 D71	R66-S68 PolarHBondContact O-N 3.4Å; S68-A70 PolarHBondContact O-N 2.9Å; S68-A70 VanDerWaalsContact OG-CB 3.24Å; S68-A70 WeakPolarHBondContact OG-CB 3.49Å; S68-A70 PolarHBondContact OG-N 3.19Å; S68-D71 PolarHBondContact O-N 2.98Å; S68-D71 VanDerWaalsContact O-N 3.12Å
69	V	54.6	Low	65.8	Low	126 Å²	126	110.9 Å²	110.9	76%	0.764	62%	0.62	S	S	*	*	G	3₁₀ helix	trans	-59.1	-9.2	178.9	-171.9	0	0	0	0	111.5	V67 D71	V67-V69 PolarHBondContact O-N 3.43Å; V67-V69 VanDerWaalsContact O-N 3.14Å; V69-D71 PolarHBondContact O-N 2.53Å
70	A	56.9	Low	67.7	Low	83 Å²	83	113 Å²	113	69%	0.686	62%	0.622	S	S	*	*	G	3₁₀ helix	trans	-62.3	-22.7	173	0	0	0	0	0	114.4	S68	S68-A70 PolarHBondContact O-N 2.9Å; S68-A70 VanDerWaalsContact OG-CB 3.24Å; S68-A70 WeakPolarHBondContact OG-CB 3.49Å; S68-A70 PolarHBondContact OG-N 3.19Å
71	D	58	Low	69.7	Low	130 Å²	130	109.1 Å²	109.1	70%	0.695	61%	0.612	S	S	*	*	G	3₁₀ helix	trans	-100.2	6.6	-175.5	-65.4	-30.8	0	0	0	114.1	S68 V69	S68-D71 PolarHBondContact O-N 2.98Å; S68-D71 VanDerWaalsContact O-N 3.12Å; V69-D71 PolarHBondContact O-N 2.53Å
72	H	59.7	Low	71.9	Confident	123 Å²	123	109.7 Å²	109.7	57%	0.569	62%	0.618	S	S	*	*			trans	-108.3	96.2	175.2	-67.5	-53.4	0	0	0	111.2	L74	H72-L74 PolarHBondContact O-N 3.12Å
73	S	69.7	Low	74.1	Confident	120 Å²	120	112.4 Å²	112.4	84%	0.839	61%	0.613	S	S	*	*			trans	-73.9	110.5	168.5	64.7	0	0	0	0	109.8	H75	S73-H75 PolarHBondContact O-N 3.36Å
74	L	81	Confident	76.3	Confident	149 Å²	149	107.3 Å²	107.3	78%	0.78	60%	0.597	S	S	*	*			trans	-73.1	118.4	173.1	-68.7	175	0	0	0	109.9	H72	H72-L74 PolarHBondContact O-N 3.12Å
75	H	86.8	Confident	78.5	Confident	140 Å²	140	103.5 Å²	103.5	65%	0.648	57%	0.565	S	S	*	*			trans	-85.8	114.2	168.8	-173.8	74.1	0	0	0	109.6	S73 G189	S73-H75 PolarHBondContact O-N 3.36Å; H75-G189 PolarHBondContact CE1-O 2.79Å; H75-G189 PolarHBondContact NE2-O 2.87Å
76	L	93.5	Very high	80.8	Confident	137 Å²	137	99.7 Å²	99.7	72%	0.717	54%	0.538	S	S	*	.			trans	-109.3	136.3	-178.8	-65.4	171.6	0	0	0	110.1
77	S	97.1	Very high	83	Confident	44 Å²	44	93.6 Å²	93.6	31%	0.308	52%	0.516	S	S	.	.			trans	-149.4	145.3	174.4	-178.5	0	0	0	0	110.4	A79 D187 Y188 G189	S77-A79 WeakPolarHBondContact OG-CB 3.23Å; S77-A79 PolarHBondContact OG-N 3.17Å; S77-D187 PolarHBondContact OG-O 3.16Å; S77-Y188 VanDerWaalsContact OG-C 3.26Å; S77-Y188 PolarHBondContact OG-O 2.85Å; S77-G189 PolarHBondContact OG-N 3.33Å
78	K	97.9	Very high	85.3	Confident	120 Å²	120	89.9 Å²	89.9	52%	0.522	49%	0.493	S	S	.	.	S	Bend	trans	-83.8	-20.1	169.2	-60.3	178	-172.9	163.2	0	111.1	K80 P86 D187	K78-K80 PolarHBondContact O-N 3.03Å; K78-P86 HydrophobicContact CB-CB 4.09Å; K78-P86 HydrophobicContact CB-CG 3.72Å; K78-D187 WeakPolarHBondContact CB-O 3.41Å; K78-D187 HydrophobicContact CD-CB 4.12Å; K78-D187 WeakPolarHBondContact CE-OD1 3.5Å; K78-D187 PolarHBondContact N-O 3.11Å; K78-D187 IonicContact NZ-OD1 2.89Å; K78-D187 PolarHBondContact NZ-OD1 2.99Å; K78-D187 IonicContact NZ-OD2 2.75Å; K78-D187 PolarHBondContact NZ-OD2 2.89Å
79	A	98.3	Very high	87.6	Confident	12 Å²	12	91.2 Å²	91.2	10%	0.099	49%	0.491	C	S	.	.			trans	-69.2	116.3	-179.2	0	0	0	0	0	111.2	S77 P86 D187 F203 L211	S77-A79 WeakPolarHBondContact OG-CB 3.23Å; S77-A79 PolarHBondContact OG-N 3.17Å; A79-P86 HydrophobicContact CB-CG 4.09Å; A79-D187 PolarHBondContact N-O 3.34Å; A79-F203 HydrophobicContact CB-CE1 4.05Å; A79-L211 HydrophobicContact CB-CD2 3.85Å
80	K	98.7	Very high	89.7	Confident	130 Å²	130	85.8 Å²	85.8	57%	0.565	46%	0.461	S	S	*	.			trans	-134.6	120.1	179.3	-67	177.3	177.9	175	0	109.1	K78 K83	K78-K80 PolarHBondContact O-N 3.03Å; K80-K83 HydrophobicContact CB-CB 4.02Å; K80-K83 HydrophobicContact CB-CG 3.77Å; K80-K83 WeakPolarHBondContact O-CB 3.16Å; K80-K83 PolarHBondContact O-N 3.09Å
81	I	98.6	Very high	91.7	Very high	91 Å²	91	83.5 Å²	83.5	47%	0.467	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	143.5	174.1	-65.4	174.7	0	0	0	109	K83 L211 I214	I81-K83 PolarHBondContact O-N 3.16Å; I81-L211 CarbonylContact C-O 3.49Å; I81-L211 WeakPolarHBondContact CA-O 3.4Å; I81-I214 HydrophobicContact CD1-CD1 4.34Å; I81-I214 HydrophobicContact CD1-CG1 4.14Å; I81-I214 HydrophobicContact CG1-CD1 3.95Å; I81-I214 HydrophobicContact CG1-CG1 3.94Å
82	S	98.3	Very high	93.7	Very high	80 Å²	80	77.3 Å²	77.3	56%	0.559	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.9	0.6	-173.1	79.2	0	0	0	0	116.1	L211	S82-L211 PolarHBondContact N-O 3.16Å
83	K	98.7	Very high	95.5	Very high	115 Å²	115	71.5 Å²	71.5	50%	0.5	38%	0.379	S	S	.	.	S	Bend	trans	-110.8	162.2	175.7	-54.5	-58.2	176.7	-169.4	0	110.4	K80 I81 A85 L211	K80-K83 HydrophobicContact CB-CB 4.02Å; K80-K83 HydrophobicContact CB-CG 3.77Å; K80-K83 WeakPolarHBondContact O-CB 3.16Å; K80-K83 PolarHBondContact O-N 3.09Å; I81-K83 PolarHBondContact O-N 3.16Å; K83-A85 PolarHBondContact O-N 3.4Å; K83-L211 PolarHBondContact O-N 2.87Å
84	P	98.8	Very high	96.9	Very high	85 Å²	85	67.4 Å²	67.4	55%	0.552	35%	0.347	S	S	*	.	B	Isolated β-bridge	trans	-51.7	133.1	170.3	-26.3	35.6	0	0	0	110.8	G209 I210	P84-G209 WeakPolarHBondContact CA-O 3.29Å; P84-I210 HydrophobicContact CB-CD1 4.43Å; P84-I210 HydrophobicContact CG-CD1 3.98Å
85	A	98.8	Very high	97.5	Very high	10 Å²	10	66.1 Å²	66.1	8%	0.083	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-62.9	144.4	176	0	0	0	0	0	110.2	K83 Y87 L103 I205 G209 L211	K83-A85 PolarHBondContact O-N 3.4Å; A85-Y87 PolarHBondContact O-N 3.21Å; A85-L103 HydrophobicContact CB-CD2 4.15Å; A85-I205 HydrophobicContact CB-CD1 3.67Å; A85-I205 HydrophobicContact CB-CG1 3.92Å; A85-I205 HydrophobicContact CB-CG2 4.05Å; A85-G209 PolarHBondContact N-O 3.47Å; A85-L211 HydrophobicContact CB-CB 4.29Å
86	P	98.8	Very high	97.9	Very high	11 Å²	11	61.3 Å²	61.3	7%	0.071	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-57	130.2	177.2	-22.7	33	0	0	0	110.8	K78 A79 L103 D187 Y188	K78-P86 HydrophobicContact CB-CB 4.09Å; K78-P86 HydrophobicContact CB-CG 3.72Å; A79-P86 HydrophobicContact CB-CG 4.09Å; P86-L103 WeakPolarHBondContact O-CD2 3.47Å; P86-D187 HydrophobicContact CB-CB 4.21Å; P86-Y188 HydrophobicContact CB-CD2 4.17Å; P86-Y188 HydrophobicContact CB-CE2 3.75Å; P86-Y188 HydrophobicContact CG-CD2 4.36Å; P86-Y188 HydrophobicContact CG-CE2 4.15Å; P86-Y188 WeakPolarHBondContact O-CE2 3.48Å; P86-Y188 PolarHBondContact O-OH 2.86Å
87	Y	98.8	Very high	98.1	Very high	107 Å²	107	60 Å²	60	42%	0.42	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-62.6	145	178.4	177.7	-98.1	0	0	0	111	A85 E89 K102 L103 T104	A85-Y87 PolarHBondContact O-N 3.21Å; Y87-E89 HydrophobicContact CE1-CB 4.07Å; Y87-E89 HydrophobicContact CE1-CG 3.87Å; Y87-E89 PolarHBondContact OH-OE2 2.91Å; Y87-K102 WeakPolarHBondContact OH-CD 3.37Å; Y87-L103 HydrophobicContact CD2-CB 4.44Å; Y87-T104 HydrophobicContact CD2-CG2 4.3Å; Y87-T104 HydrophobicContact CE2-CG2 4.06Å
88	W	98.8	Very high	98.2	Very high	4 Å²	4	62.1 Å²	62.1	2%	0.015	32%	0.324	C	S	.	.			trans	-144.6	151.3	170.5	55.5	-103	0	0	0	110.2	L101 K102 L103 Y106 L111 F113 L177 I184 Y188	W88-L101 HydrophobicContact CH2-CD2 3.98Å; W88-L101 HydrophobicContact CH2-CG 4Å; W88-L101 HydrophobicContact CZ3-CB 4.28Å; W88-L101 HydrophobicContact CZ3-CD2 4.11Å; W88-L101 HydrophobicContact CZ3-CG 3.89Å; W88-L101 WeakPolarHBondContact CZ3-O 3.48Å; W88-K102 WeakPolarHBondContact O-CA 3.47Å; W88-L103 HydrophobicContact CD2-CB 3.93Å; W88-L103 HydrophobicContact CG-CB 4.12Å; W88-L103 HydrophobicContact CZ2-CB 4.07Å; W88-L103 HydrophobicContact CZ2-CD1 4.19Å; W88-L103 PolarHBondContact O-N 3.19Å; W88-Y106 HydrophobicContact CH2-CD2 4.26Å; W88-Y106 AromaticContact CH2-CE2 3.89Å; W88-Y106 HydrophobicContact CH2-CE2 3.89Å; W88-Y106 HydrophobicContact CZ2-CD2 4.47Å; W88-Y106 HydrophobicContact CZ2-CE2 4.44Å; W88-L111 HydrophobicContact CZ2-CD2 4.07Å; W88-F113 AromaticContact CD1-CE1 3.91Å; W88-F113 HydrophobicContact CG-CZ 4.48Å; W88-F113 HydrophobicContact CZ2-CD2 4.33Å; W88-F113 HydrophobicContact CZ2-CE2 4.34Å; W88-F113 AromaticContact NE1-CD1 3.94Å; W88-F113 AromaticContact NE1-CE1 3.77Å; W88-F113 AromaticContact NE1-CZ 3.89Å; W88-L177 HydrophobicContact CD2-CD2 4.1Å; W88-L177 HydrophobicContact CE3-CD2 3.63Å; W88-L177 HydrophobicContact CH2-CD2 4.46Å; W88-L177 HydrophobicContact CZ3-CD1 4.37Å; W88-L177 HydrophobicContact CZ3-CD2 3.83Å; W88-I184 HydrophobicContact CB-CB 4.48Å; W88-I184 HydrophobicContact CB-CD1 4.06Å; W88-I184 HydrophobicContact CB-CG1 3.96Å; W88-I184 HydrophobicContact CB-CG2 3.77Å; W88-I184 HydrophobicContact CG-CG2 4.24Å; W88-Y188 AromaticContact CD1-CE2 3.74Å; W88-Y188 AromaticContact CD1-CZ 3.82Å
89	E	98.7	Very high	98.2	Very high	98 Å²	98	60.2 Å²	60.2	46%	0.458	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	148.3	167.8	61.2	-176.2	-166.6	0	0	108.8	Y87 L101 K102	Y87-E89 HydrophobicContact CE1-CB 4.07Å; Y87-E89 HydrophobicContact CE1-CG 3.87Å; Y87-E89 PolarHBondContact OH-OE2 2.91Å; E89-L101 WeakPolarHBondContact CA-O 3.25Å; E89-K102 HydrophobicContact CB-CB 4.42Å; E89-K102 HydrophobicContact CB-CD 4.37Å; E89-K102 HydrophobicContact CB-CG 3.8Å; E89-K102 WeakPolarHBondContact OE2-CE 3.45Å; E89-K102 IonicContact OE2-NZ 3.7Å; E89-K102 PolarHBondContact OE2-NZ 3.21Å
90	G	98.6	Very high	98.2	Very high	13 Å²	13	65.2 Å²	65.2	13%	0.134	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176.3	174.6	175.8	0	0	0	0	0	112.6	L101	G90-L101 PolarHBondContact N-O 2.88Å; G90-L101 PolarHBondContact O-N 3.19Å
91	T	98.8	Very high	98.2	Very high	34 Å²	34	59.6 Å²	59.6	21%	0.209	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	128.6	177.8	-47.5	0	0	0	0	110.4	F98 E100 Q153 S178	T91-F98 HydrophobicContact CG2-CB 4.03Å; T91-E100 WeakPolarHBondContact CB-OE1 3.34Å; T91-E100 PolarHBondContact OG1-OE1 2.79Å; T91-Q153 HydrophobicContact CG2-CB 4.18Å; T91-Q153 HydrophobicContact CG2-CG 4Å; T91-S178 WeakPolarHBondContact O-CB 3.5Å; T91-S178 PolarHBondContact O-N 2.96Å
92	A	98.8	Very high	98.2	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	154.5	173.7	0	0	0	0	0	111.4	I94 F98 K99 L101 P175 L176 L177	A92-I94 HydrophobicContact CB-CD1 4.46Å; A92-I94 HydrophobicContact CB-CG1 4.22Å; A92-F98 WeakPolarHBondContact O-CA 3.31Å; A92-K99 PolarHBondContact N-O 3.36Å; A92-K99 PolarHBondContact O-N 2.89Å; A92-L101 HydrophobicContact CB-CB 4.09Å; A92-L101 HydrophobicContact CB-CD2 4.12Å; A92-P175 HydrophobicContact CB-CB 4.34Å; A92-L176 CarbonylContact C-O 3.34Å; A92-L176 WeakPolarHBondContact CA-O 3.26Å; A92-L176 WeakPolarHBondContact CB-O 3.33Å; A92-L177 HydrophobicContact CB-CB 4.43Å; A92-L177 HydrophobicContact CB-CD1 4.1Å
93	V	98.6	Very high	98.2	Very high	2 Å²	2	55.7 Å²	55.7	1%	0.012	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	119	166.3	-170.4	0	0	0	0	108.7	E97 F98 Q153 H156 L157 I160 L176	V93-E97 WeakPolarHBondContact CA-O 3.28Å; V93-F98 HydrophobicContact CG2-CD1 3.97Å; V93-F98 HydrophobicContact CG2-CE1 3.92Å; V93-Q153 HydrophobicContact CG2-CB 4.16Å; V93-Q153 WeakPolarHBondContact CG2-O 3.37Å; V93-H156 HydrophobicContact CB-CB 4.5Å; V93-H156 HydrophobicContact CG2-CB 3.64Å; V93-L157 HydrophobicContact CG1-CD1 4.12Å; V93-L157 HydrophobicContact CG2-CB 4.42Å; V93-I160 HydrophobicContact CB-CD1 4.07Å; V93-I160 HydrophobicContact CG1-CD1 3.66Å; V93-L176 PolarHBondContact N-O 2.87Å; V93-L176 PolarHBondContact O-N 3.07Å
94	I	97.9	Very high	98.2	Very high	33 Å²	33	53.2 Å²	53.2	17%	0.169	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	120.6	179.9	-53.9	-179.1	0	0	0	108	A92 G96 E97 K99 L101 P175	A92-I94 HydrophobicContact CB-CD1 4.46Å; A92-I94 HydrophobicContact CB-CG1 4.22Å; I94-G96 PolarHBondContact O-N 3.43Å; I94-E97 PolarHBondContact N-O 2.9Å; I94-E97 PolarHBondContact O-N 3.32Å; I94-K99 HydrophobicContact CB-CD 4.21Å; I94-K99 HydrophobicContact CD1-CB 4.19Å; I94-K99 HydrophobicContact CD1-CD 4.48Å; I94-L101 HydrophobicContact CD1-CD1 4.22Å; I94-P175 HydrophobicContact CD1-CB 4.12Å; I94-P175 HydrophobicContact CD1-CG 4.04Å; I94-P175 HydrophobicContact CG1-CB 3.83Å; I94-P175 HydrophobicContact CG1-CG 4.02Å
95	D	94.7	Very high	98.2	Very high	122 Å²	122	53.6 Å²	53.6	65%	0.652	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	33.8	-177.3	-56.2	-42.6	0	0	0	113.4	E97	D95-E97 VanDerWaalsContact C-N 3.3Å; D95-E97 PolarHBondContact O-N 2.8Å
96	G	94.9	Very high	98.2	Very high	40 Å²	40	54.4 Å²	54.4	41%	0.412	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.7	2.3	-178.7	0	0	0	0	0	115.1	I94	I94-G96 PolarHBondContact O-N 3.43Å
97	E	97.5	Very high	98.2	Very high	110 Å²	110	60.7 Å²	60.7	51%	0.514	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	150.4	179.3	-60.6	-180	148.7	0	0	111.5	V93 I94 D95 K99	V93-E97 WeakPolarHBondContact CA-O 3.28Å; I94-E97 PolarHBondContact N-O 2.9Å; I94-E97 PolarHBondContact O-N 3.32Å; D95-E97 VanDerWaalsContact C-N 3.3Å; D95-E97 PolarHBondContact O-N 2.8Å; E97-K99 WeakPolarHBondContact OE2-CE 3.25Å; E97-K99 IonicContact OE2-NZ 2.8Å; E97-K99 PolarHBondContact OE2-NZ 3.29Å
98	F	98.5	Very high	98.1	Very high	88 Å²	88	57.6 Å²	57.6	39%	0.386	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	122.5	171.8	-55.4	-37.9	0	0	0	110.2	T91 A92 V93 Q153 F154 L157	T91-F98 HydrophobicContact CG2-CB 4.03Å; A92-F98 WeakPolarHBondContact O-CA 3.31Å; V93-F98 HydrophobicContact CG2-CD1 3.97Å; V93-F98 HydrophobicContact CG2-CE1 3.92Å; F98-Q153 HydrophobicContact CD1-CB 4Å; F98-Q153 HydrophobicContact CD1-CG 3.87Å; F98-Q153 HydrophobicContact CE1-CB 4.01Å; F98-Q153 HydrophobicContact CE1-CG 3.87Å; F98-Q153 WeakPolarHBondContact CE1-O 3.34Å; F98-Q153 HydrophobicContact CG-CG 4.23Å; F98-Q153 HydrophobicContact CZ-CG 4.21Å; F98-F154 AromaticContact CE2-CD1 3.94Å; F98-F154 HydrophobicContact CE2-CD1 3.94Å; F98-F154 AromaticContact CE2-CE1 3.72Å; F98-F154 HydrophobicContact CE2-CE1 3.72Å; F98-F154 AromaticContact CZ-CD1 3.77Å; F98-F154 HydrophobicContact CZ-CD1 3.77Å; F98-F154 HydrophobicContact CZ-CE1 4.04Å; F98-L157 HydrophobicContact CE1-CB 4.04Å; F98-L157 HydrophobicContact CE1-CD2 3.94Å; F98-L157 HydrophobicContact CZ-CB 4.36Å; F98-L157 HydrophobicContact CZ-CD2 3.73Å
99	K	98.6	Very high	98.1	Very high	79 Å²	79	61 Å²	61	34%	0.343	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	141.9	179.7	-65.9	-177.1	-179.9	152.1	0	110.1	A92 I94 E97	A92-K99 PolarHBondContact N-O 3.36Å; A92-K99 PolarHBondContact O-N 2.89Å; I94-K99 HydrophobicContact CB-CD 4.21Å; I94-K99 HydrophobicContact CD1-CB 4.19Å; I94-K99 HydrophobicContact CD1-CD 4.48Å; E97-K99 WeakPolarHBondContact OE2-CE 3.25Å; E97-K99 IonicContact OE2-NZ 2.8Å; E97-K99 PolarHBondContact OE2-NZ 3.29Å
100	E	98.6	Very high	98.1	Very high	117 Å²	117	56.6 Å²	56.6	55%	0.547	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	132.2	167.8	-69.1	-57	119.4	0	0	109.3	T91	T91-E100 WeakPolarHBondContact CB-OE1 3.34Å; T91-E100 PolarHBondContact OG1-OE1 2.79Å
101	L	98.6	Very high	98.2	Very high	13 Å²	13	56.1 Å²	56.1	7%	0.068	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	139.8	-178.4	-170.3	69.7	0	0	0	109.8	W88 E89 G90 A92 I94 Y106 V146 P175	W88-L101 HydrophobicContact CH2-CD2 3.98Å; W88-L101 HydrophobicContact CH2-CG 4Å; W88-L101 HydrophobicContact CZ3-CB 4.28Å; W88-L101 HydrophobicContact CZ3-CD2 4.11Å; W88-L101 HydrophobicContact CZ3-CG 3.89Å; W88-L101 WeakPolarHBondContact CZ3-O 3.48Å; E89-L101 WeakPolarHBondContact CA-O 3.25Å; G90-L101 PolarHBondContact N-O 2.88Å; G90-L101 PolarHBondContact O-N 3.19Å; A92-L101 HydrophobicContact CB-CB 4.09Å; A92-L101 HydrophobicContact CB-CD2 4.12Å; I94-L101 HydrophobicContact CD1-CD1 4.22Å; L101-Y106 HydrophobicContact CD1-CE2 3.83Å; L101-Y106 HydrophobicContact CD2-CE2 4.07Å; L101-Y106 WeakPolarHBondContact CD2-OH 3.35Å; L101-Y106 HydrophobicContact CG-CE2 4.02Å; L101-V146 HydrophobicContact CD2-CG1 4.33Å; L101-V146 HydrophobicContact CD2-CG2 4.24Å; L101-P175 HydrophobicContact CD2-CB 3.88Å; L101-P175 HydrophobicContact CD2-CG 4.29Å
102	K	98.7	Very high	98.2	Very high	71 Å²	71	54.5 Å²	54.5	31%	0.309	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	151.3	-177.7	-52	-175	173.2	-141.1	0	110.7	Y87 W88 E89 T104 D105	Y87-K102 WeakPolarHBondContact OH-CD 3.37Å; W88-K102 WeakPolarHBondContact O-CA 3.47Å; E89-K102 HydrophobicContact CB-CB 4.42Å; E89-K102 HydrophobicContact CB-CD 4.37Å; E89-K102 HydrophobicContact CB-CG 3.8Å; E89-K102 WeakPolarHBondContact OE2-CE 3.45Å; E89-K102 IonicContact OE2-NZ 3.7Å; E89-K102 PolarHBondContact OE2-NZ 3.21Å; K102-T104 PolarHBondContact O-N 3.41Å; K102-D105 PolarHBondContact N-OD2 3.17Å; K102-D105 WeakPolarHBondContact O-CB 3.42Å; K102-D105 PolarHBondContact O-N 2.98Å; K102-D105 VanDerWaalsContact O-N 3.09Å
103	L	98.7	Very high	98.2	Very high	18 Å²	18	54.5 Å²	54.5	9%	0.094	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-54.1	-38.1	172.5	176.1	59.4	0	0	0	111.9	A85 P86 Y87 W88 D105 Y106 L111 I205	A85-L103 HydrophobicContact CB-CD2 4.15Å; P86-L103 WeakPolarHBondContact O-CD2 3.47Å; Y87-L103 HydrophobicContact CD2-CB 4.44Å; W88-L103 HydrophobicContact CD2-CB 3.93Å; W88-L103 HydrophobicContact CG-CB 4.12Å; W88-L103 HydrophobicContact CZ2-CB 4.07Å; W88-L103 HydrophobicContact CZ2-CD1 4.19Å; W88-L103 PolarHBondContact O-N 3.19Å; L103-D105 PolarHBondContact O-N 2.78Å; L103-Y106 PolarHBondContact O-N 3.38Å; L103-L111 HydrophobicContact CD1-CD2 3.73Å; L103-I205 HydrophobicContact CD1-CD1 3.92Å
104	T	98.5	Very high	98.2	Very high	62 Å²	62	54.4 Å²	54.4	38%	0.38	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-68.1	-17.8	-177	45.4	0	0	0	0	114.1	Y87 K102 Y106 R107	Y87-T104 HydrophobicContact CD2-CG2 4.3Å; Y87-T104 HydrophobicContact CE2-CG2 4.06Å; K102-T104 PolarHBondContact O-N 3.41Å; T104-Y106 PolarHBondContact O-N 2.82Å; T104-R107 WeakPolarHBondContact O-CB 3.41Å; T104-R107 WeakPolarHBondContact O-CG 3.5Å; T104-R107 PolarHBondContact O-N 2.76Å
105	D	98.6	Very high	98.2	Very high	93 Å²	93	52.8 Å²	52.8	50%	0.497	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-68.1	-18.5	177.9	-56.6	-21.8	0	0	0	111.7	K102 L103	K102-D105 PolarHBondContact N-OD2 3.17Å; K102-D105 WeakPolarHBondContact O-CB 3.42Å; K102-D105 PolarHBondContact O-N 2.98Å; K102-D105 VanDerWaalsContact O-N 3.09Å; L103-D105 PolarHBondContact O-N 2.78Å
106	Y	98.6	Very high	98.4	Very high	28 Å²	28	47 Å²	47	11%	0.11	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-96.3	6.9	179.9	-63.3	-83.4	0	0	0	113.8	W88 L101 L103 T104 G108 K109 L111 E144 V146	W88-Y106 HydrophobicContact CH2-CD2 4.26Å; W88-Y106 AromaticContact CH2-CE2 3.89Å; W88-Y106 HydrophobicContact CH2-CE2 3.89Å; W88-Y106 HydrophobicContact CZ2-CD2 4.47Å; W88-Y106 HydrophobicContact CZ2-CE2 4.44Å; L101-Y106 HydrophobicContact CD1-CE2 3.83Å; L101-Y106 HydrophobicContact CD2-CE2 4.07Å; L101-Y106 WeakPolarHBondContact CD2-OH 3.35Å; L101-Y106 HydrophobicContact CG-CE2 4.02Å; L103-Y106 PolarHBondContact O-N 3.38Å; T104-Y106 PolarHBondContact O-N 2.82Å; Y106-G108 PolarHBondContact O-N 2.77Å; Y106-K109 PolarHBondContact O-N 2.92Å; Y106-K109 VanDerWaalsContact O-O 3.08Å; Y106-L111 HydrophobicContact CD1-CD1 3.94Å; Y106-L111 HydrophobicContact CD2-CD1 4.4Å; Y106-L111 HydrophobicContact CD2-CD2 4.04Å; Y106-L111 HydrophobicContact CE1-CD1 4.16Å; Y106-L111 HydrophobicContact CG-CD1 4.07Å; Y106-L111 HydrophobicContact CG-CD2 4.05Å; Y106-L111 HydrophobicContact CG-CG 4.47Å; Y106-E144 HydrophobicContact CD1-CB 3.68Å; Y106-E144 HydrophobicContact CD1-CG 3.88Å; Y106-E144 HydrophobicContact CE1-CB 3.56Å; Y106-E144 HydrophobicContact CE1-CG 3.86Å; Y106-V146 HydrophobicContact CE1-CG2 4.15Å; Y106-V146 HydrophobicContact CE2-CG2 3.98Å; Y106-V146 WeakPolarHBondContact OH-CG2 3.45Å
107	R	98	Very high	98.6	Very high	142 Å²	142	45.5 Å²	45.5	54%	0.536	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	137.2	175.9	-74.3	-71.5	-173.1	162.9	-8.3	111.2	T104 K109 K208	T104-R107 WeakPolarHBondContact O-CB 3.41Å; T104-R107 WeakPolarHBondContact O-CG 3.5Å; T104-R107 PolarHBondContact O-N 2.76Å; R107-K109 VanDerWaalsContact C-N 3.27Å; R107-K208 PolarHBondContact NH1-O 3.1Å
108	G	98.4	Very high	98.6	Very high	42 Å²	42	43 Å²	43	43%	0.433	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.9	-2	-174.4	0	0	0	0	0	114.5	Y106 N142 D207	Y106-G108 PolarHBondContact O-N 2.77Å; G108-N142 PolarHBondContact O-ND2 3.38Å; G108-D207 PolarHBondContact N-O 3.45Å
109	K	98.8	Very high	98.6	Very high	75 Å²	75	39.3 Å²	39.3	33%	0.326	20%	0.195	S	C	.	.	S	Bend	trans	-123.6	151.4	172.1	-56	-169.9	175.8	175.3	0	110.3	Y106 R107 N142 E144 D207	Y106-K109 PolarHBondContact O-N 2.92Å; Y106-K109 VanDerWaalsContact O-O 3.08Å; R107-K109 VanDerWaalsContact C-N 3.27Å; K109-N142 WeakPolarHBondContact CG-OD1 3.44Å; K109-E144 HydrophobicContact CD-CG 3.69Å; K109-E144 IonicContact NZ-OE1 3.44Å; K109-E144 PolarHBondContact NZ-OE1 2.71Å; K109-D207 WeakPolarHBondContact O-CA 3.4Å
110	Y	98.8	Very high	98.6	Very high	7 Å²	7	40.6 Å²	40.6	3%	0.027	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	148.5	162.5	-94.7	-111.5	0	0	0	109.3	N142 T143 E144 I204 I205 D206 D207 V232 F235 Q236 D239	Y110-N142 PolarHBondContact N-O 3.46Å; Y110-T143 VanDerWaalsContact CB-OG1 3.3Å; Y110-T143 WeakPolarHBondContact CB-OG1 3.48Å; Y110-T143 CarbonylContact O-C 3.52Å; Y110-T143 VanDerWaalsContact O-CA 3.28Å; Y110-T143 WeakPolarHBondContact O-CA 3.44Å; Y110-E144 PolarHBondContact O-N 2.78Å; Y110-I204 HydrophobicContact CD1-CG2 3.96Å; Y110-I204 HydrophobicContact CE1-CG2 4.24Å; Y110-I205 CarbonylContact C-O 3.48Å; Y110-I205 WeakPolarHBondContact CA-O 3.48Å; Y110-D206 HydrophobicContact CD1-CB 4.47Å; Y110-D206 HydrophobicContact CD2-CB 4.35Å; Y110-D206 HydrophobicContact CE1-CB 3.88Å; Y110-D206 HydrophobicContact CE2-CB 3.72Å; Y110-D206 VanDerWaalsContact CZ-CB 3.46Å; Y110-D207 HydrophobicContact CD2-CB 4.44Å; Y110-V232 HydrophobicContact CD1-CG1 4.3Å; Y110-F235 HydrophobicContact CE1-CB 3.92Å; Y110-F235 WeakPolarHBondContact OH-CB 3.44Å; Y110-Q236 HydrophobicContact CD2-CG 4.1Å; Y110-Q236 HydrophobicContact CE1-CG 4.44Å; Y110-Q236 HydrophobicContact CE2-CG 3.86Å; Y110-D239 PolarHBondContact OH-OD2 3.03Å
111	L	98.9	Very high	98.4	Very high	2 Å²	2	37 Å²	37	1%	0.01	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	123.4	178.6	174.2	65	0	0	0	110	W88 L103 Y106 F113 E144 V146 I205	W88-L111 HydrophobicContact CZ2-CD2 4.07Å; L103-L111 HydrophobicContact CD1-CD2 3.73Å; Y106-L111 HydrophobicContact CD1-CD1 3.94Å; Y106-L111 HydrophobicContact CD2-CD1 4.4Å; Y106-L111 HydrophobicContact CD2-CD2 4.04Å; Y106-L111 HydrophobicContact CE1-CD1 4.16Å; Y106-L111 HydrophobicContact CG-CD1 4.07Å; Y106-L111 HydrophobicContact CG-CD2 4.05Å; Y106-L111 HydrophobicContact CG-CG 4.47Å; L111-F113 HydrophobicContact CD2-CB 4.23Å; L111-F113 HydrophobicContact CG-CB 4.19Å; L111-E144 HydrophobicContact CD1-CB 4.4Å; L111-V146 HydrophobicContact CD1-CB 4.25Å; L111-V146 HydrophobicContact CD1-CG2 3.82Å; L111-I205 HydrophobicContact CB-CB 4.34Å; L111-I205 HydrophobicContact CD2-CD1 4.25Å; L111-I205 PolarHBondContact N-O 3.31Å; L111-I205 PolarHBondContact O-N 3.18Å
112	V	98.9	Very high	98.1	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	107.2	162.4	179.6	0	0	0	0	107.3	F131 F138 T143 E144 V145 V146 L202 T228 V232	V112-F131 HydrophobicContact CG1-CE1 4.32Å; V112-F138 HydrophobicContact CG2-CD1 4.22Å; V112-F138 HydrophobicContact CG2-CE1 4.11Å; V112-T143 HydrophobicContact CG2-CG2 4.04Å; V112-E144 PolarHBondContact N-O 3.31Å; V112-V145 HydrophobicContact CB-CG1 4.32Å; V112-V145 HydrophobicContact CB-CG2 4.2Å; V112-V145 HydrophobicContact CG1-CG1 4.37Å; V112-V145 WeakPolarHBondContact O-CA 3.28Å; V112-V146 PolarHBondContact O-N 3.41Å; V112-L202 HydrophobicContact CG1-CD1 3.93Å; V112-L202 HydrophobicContact CG1-CD2 4.31Å; V112-L202 HydrophobicContact CG1-CG 4.04Å; V112-T228 HydrophobicContact CB-CG2 4.49Å; V112-T228 HydrophobicContact CG1-CG2 3.82Å; V112-T228 HydrophobicContact CG2-CG2 3.77Å; V112-V232 HydrophobicContact CG2-CG2 4.01Å
113	F	98.9	Very high	97.7	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	117.8	177.6	179.7	-125.8	0	0	0	109.1	W88 L111 F115 V146 C148 L177 I184 Y188 F203 I205	W88-F113 AromaticContact CD1-CE1 3.91Å; W88-F113 HydrophobicContact CG-CZ 4.48Å; W88-F113 HydrophobicContact CZ2-CD2 4.33Å; W88-F113 HydrophobicContact CZ2-CE2 4.34Å; W88-F113 AromaticContact NE1-CD1 3.94Å; W88-F113 AromaticContact NE1-CE1 3.77Å; W88-F113 AromaticContact NE1-CZ 3.89Å; L111-F113 HydrophobicContact CD2-CB 4.23Å; L111-F113 HydrophobicContact CG-CB 4.19Å; F113-F115 AromaticContact CD1-CE2 3.91Å; F113-F115 HydrophobicContact CD1-CE2 3.91Å; F113-F115 HydrophobicContact CD1-CZ 4.31Å; F113-F115 HydrophobicContact CE1-CD2 4.38Å; F113-F115 HydrophobicContact CE1-CE1 4.28Å; F113-F115 AromaticContact CE1-CE2 3.36Å; F113-F115 HydrophobicContact CE1-CE2 3.36Å; F113-F115 AromaticContact CE1-CZ 3.32Å; F113-F115 HydrophobicContact CE1-CZ 3.32Å; F113-F115 HydrophobicContact CZ-CE1 4.12Å; F113-F115 AromaticContact CZ-CE2 3.94Å; F113-F115 HydrophobicContact CZ-CE2 3.94Å; F113-F115 AromaticContact CZ-CZ 3.6Å; F113-F115 HydrophobicContact CZ-CZ 3.6Å; F113-V146 HydrophobicContact CD2-CB 4.04Å; F113-V146 HydrophobicContact CD2-CG1 3.91Å; F113-V146 HydrophobicContact CE2-CG1 4.04Å; F113-C148 HydrophobicContact CE2-CB 3.76Å; F113-C148 HydrophobicContact CZ-CB 3.97Å; F113-L177 HydrophobicContact CE2-CD2 4Å; F113-L177 HydrophobicContact CZ-CD2 4.23Å; F113-I184 HydrophobicContact CE1-CG2 4.25Å; F113-I184 HydrophobicContact CZ-CG2 3.96Å; F113-Y188 HydrophobicContact CD1-CD1 4.18Å; F113-Y188 AromaticContact CD1-CE1 3.63Å; F113-Y188 HydrophobicContact CD1-CE1 3.63Å; F113-Y188 HydrophobicContact CD1-CE2 4.46Å; F113-Y188 AromaticContact CD1-CZ 3.8Å; F113-Y188 HydrophobicContact CE1-CD1 4.15Å; F113-Y188 HydrophobicContact CE1-CD2 4.19Å; F113-Y188 AromaticContact CE1-CE1 3.83Å; F113-Y188 HydrophobicContact CE1-CE1 3.83Å; F113-Y188 AromaticContact CE1-CE2 3.9Å; F113-Y188 HydrophobicContact CE1-CE2 3.9Å; F113-Y188 HydrophobicContact CE1-CG 4.32Å; F113-Y188 AromaticContact CE1-CZ 3.71Å; F113-F203 PolarHBondContact N-O 2.76Å; F113-F203 WeakPolarHBondContact O-CB 3.42Å; F113-F203 PolarHBondContact O-N 3.3Å; F113-I205 HydrophobicContact CB-CD1 4.28Å
114	F	98.9	Very high	97.4	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	143.2	-175.6	78.8	-91	0	0	0	113	Y116 I128 F131 V145 V146 A147 C148 I174 G201 L202	F114-Y116 HydrophobicContact CE2-CD1 4.33Å; F114-I128 HydrophobicContact CE2-CG1 4.11Å; F114-I128 HydrophobicContact CZ-CG1 4.1Å; F114-F131 HydrophobicContact CE1-CB 4.48Å; F114-F131 AromaticContact CE1-CD2 3.98Å; F114-F131 HydrophobicContact CE1-CD2 3.98Å; F114-F131 HydrophobicContact CE1-CG 4.26Å; F114-F131 HydrophobicContact CZ-CD2 4.12Å; F114-V145 HydrophobicContact CD1-CG1 4.05Å; F114-V145 HydrophobicContact CE1-CG1 3.75Å; F114-V146 WeakPolarHBondContact CD1-O 3.35Å; F114-V146 PolarHBondContact N-O 2.93Å; F114-A147 HydrophobicContact CD1-CB 4.41Å; F114-A147 HydrophobicContact CD2-CB 4.48Å; F114-A147 HydrophobicContact CE1-CB 3.71Å; F114-A147 HydrophobicContact CE2-CB 3.78Å; F114-A147 HydrophobicContact CZ-CB 3.35Å; F114-A147 CarbonylContact O-C 3.6Å; F114-A147 VanDerWaalsContact O-CA 3.32Å; F114-A147 WeakPolarHBondContact O-CA 3.43Å; F114-C148 PolarHBondContact O-N 2.94Å; F114-I174 HydrophobicContact CE1-CD1 4.14Å; F114-I174 HydrophobicContact CZ-CD1 4.16Å; F114-G201 CarbonylContact C-O 3.5Å; F114-G201 VanDerWaalsContact CA-O 3.29Å; F114-G201 WeakPolarHBondContact CA-O 3.48Å; F114-L202 HydrophobicContact CB-CB 3.92Å; F114-L202 HydrophobicContact CB-CD1 4.14Å; F114-L202 HydrophobicContact CB-CG 3.96Å
115	F	98.9	Very high	97.3	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	147.5	174.8	-61	-99.9	0	0	0	110.6	F113 C148 I184 Y188 V190 T198 G201 F203 R223	F113-F115 AromaticContact CD1-CE2 3.91Å; F113-F115 HydrophobicContact CD1-CE2 3.91Å; F113-F115 HydrophobicContact CD1-CZ 4.31Å; F113-F115 HydrophobicContact CE1-CD2 4.38Å; F113-F115 HydrophobicContact CE1-CE1 4.28Å; F113-F115 AromaticContact CE1-CE2 3.36Å; F113-F115 HydrophobicContact CE1-CE2 3.36Å; F113-F115 AromaticContact CE1-CZ 3.32Å; F113-F115 HydrophobicContact CE1-CZ 3.32Å; F113-F115 HydrophobicContact CZ-CE1 4.12Å; F113-F115 AromaticContact CZ-CE2 3.94Å; F113-F115 HydrophobicContact CZ-CE2 3.94Å; F113-F115 AromaticContact CZ-CZ 3.6Å; F113-F115 HydrophobicContact CZ-CZ 3.6Å; F115-C148 CarbonylContact C-O 3.56Å; F115-C148 WeakPolarHBondContact CA-O 3.47Å; F115-C148 HydrophobicContact CD1-CB 3.85Å; F115-C148 HydrophobicContact CE1-CB 4.06Å; F115-C148 HydrophobicContact CG-CB 4.43Å; F115-I184 HydrophobicContact CE1-CG2 4.04Å; F115-I184 HydrophobicContact CZ-CG2 3.89Å; F115-Y188 AromaticContact CE2-CD1 3.95Å; F115-Y188 HydrophobicContact CE2-CD1 3.95Å; F115-Y188 HydrophobicContact CE2-CD2 4.44Å; F115-Y188 AromaticContact CE2-CG 3.78Å; F115-Y188 HydrophobicContact CE2-CG 3.78Å; F115-Y188 HydrophobicContact CZ-CD1 4.37Å; F115-Y188 HydrophobicContact CZ-CD2 4.05Å; F115-Y188 AromaticContact CZ-CG 3.8Å; F115-Y188 HydrophobicContact CZ-CG 3.8Å; F115-V190 HydrophobicContact CB-CG2 4.21Å; F115-V190 HydrophobicContact CD1-CG2 3.88Å; F115-V190 HydrophobicContact CD2-CG1 4.5Å; F115-V190 HydrophobicContact CD2-CG2 3.77Å; F115-V190 HydrophobicContact CE1-CG2 4.08Å; F115-V190 HydrophobicContact CE2-CG2 3.99Å; F115-V190 HydrophobicContact CG-CG2 3.69Å; F115-V190 HydrophobicContact CZ-CG2 4.11Å; F115-T198 HydrophobicContact CB-CG2 4.33Å; F115-T198 HydrophobicContact CD1-CG2 4.02Å; F115-G201 PolarHBondContact N-O 2.67Å; F115-F203 HydrophobicContact CD2-CD2 4.13Å; F115-F203 AromaticContact CD2-CE2 3.74Å; F115-F203 HydrophobicContact CD2-CE2 3.74Å; F115-F203 AromaticContact CE2-CD2 3.97Å; F115-F203 HydrophobicContact CE2-CD2 3.97Å; F115-F203 AromaticContact CE2-CE2 3.65Å; F115-F203 HydrophobicContact CE2-CE2 3.65Å; F115-R223 VanDerWaalsContact O-CZ 3.31Å; F115-R223 PolarHBondContact O-NH1 3.34Å; F115-R223 PolarHBondContact O-NH2 3.35Å
116	Y	98.8	Very high	97.2	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.2	C	C	.	.			trans	-132.2	150.6	168.7	63.6	-83.5	0	0	0	109.5	F114 D119 C124 I128 A147 C148 S149 H156 W159 T198	F114-Y116 HydrophobicContact CE2-CD1 4.33Å; Y116-D119 VanDerWaalsContact CE2-OD1 3.24Å; Y116-D119 WeakPolarHBondContact CE2-OD1 3.42Å; Y116-D119 PolarHBondContact OH-OD1 3.01Å; Y116-C124 HydrophobicContact CD2-CB 3.79Å; Y116-C124 HydrophobicContact CG-CB 4.35Å; Y116-I128 HydrophobicContact CD1-CD1 3.83Å; Y116-I128 HydrophobicContact CD1-CG1 4.25Å; Y116-I128 HydrophobicContact CD2-CD1 4.01Å; Y116-I128 HydrophobicContact CE1-CD1 3.72Å; Y116-I128 HydrophobicContact CE1-CG1 4.45Å; Y116-I128 HydrophobicContact CE2-CD1 3.87Å; Y116-I128 HydrophobicContact CG-CD1 3.98Å; Y116-A147 HydrophobicContact CD1-CB 4.21Å; Y116-A147 HydrophobicContact CE1-CB 3.96Å; Y116-C148 VanDerWaalsContact CD1-O 3.25Å; Y116-C148 WeakPolarHBondContact CD1-O 3.46Å; Y116-C148 WeakPolarHBondContact CE1-O 3.42Å; Y116-C148 PolarHBondContact N-O 3.1Å; Y116-S149 WeakPolarHBondContact O-CB 3.48Å; Y116-S149 PolarHBondContact OH-OG 3.47Å; Y116-H156 PolarHBondContact OH-CE1 3.1Å; Y116-H156 PolarHBondContact OH-ND1 2.65Å; Y116-W159 HydrophobicContact CD2-CZ3 4.47Å; Y116-W159 HydrophobicContact CE2-CH2 4.32Å; Y116-W159 AromaticContact CE2-CZ3 3.68Å; Y116-W159 HydrophobicContact CE2-CZ3 3.68Å; Y116-T198 PolarHBondContact O-OG1 2.97Å
117	P	98.4	Very high	97.2	Very high	9 Å²	9	39 Å²	39	6%	0.058	20%	0.196	C	C	.	.	S	Bend	trans	-53.4	-65	-173.4	-30.6	32.9	0	0	0	115.1	C124 T198 R200 L219	P117-C124 VanDerWaalsContact CD-SG 3.58Å; P117-T198 WeakPolarHBondContact CA-O 3.32Å; P117-T198 WeakPolarHBondContact CG-O 3.48Å; P117-R200 HydrophobicContact CG-CG 4.3Å; P117-L219 HydrophobicContact CB-CD2 4.42Å; P117-L219 HydrophobicContact CG-CD2 3.75Å
118	L	98.4	Very high	97.2	Very high	57 Å²	57	32.2 Å²	32.2	30%	0.298	17%	0.171	S	C	.	.			trans	-154.5	147.3	-169.9	-71.2	173	0	0	0	112	T121 V150 D151 H197	L118-T121 HydrophobicContact CB-CG2 3.73Å; L118-T121 PolarHBondContact O-OG1 3Å; L118-V150 HydrophobicContact CD2-CG2 3.99Å; L118-D151 WeakPolarHBondContact CA-OD2 3.02Å; L118-H197 HydrophobicContact CD2-CB 3.98Å; L118-H197 HydrophobicContact CG-CB 4.06Å
119	D	98.6	Very high	97.1	Very high	10 Å²	10	31.7 Å²	31.7	5%	0.053	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	155	167	-73.8	2.5	0	0	0	111.8	Y116 T121 D151 T155 H156 W159	Y116-D119 VanDerWaalsContact CE2-OD1 3.24Å; Y116-D119 WeakPolarHBondContact CE2-OD1 3.42Å; Y116-D119 PolarHBondContact OH-OD1 3.01Å; D119-T121 PolarHBondContact O-N 3.33Å; D119-T121 VanDerWaalsContact O-N 3.13Å; D119-D151 HydrophobicContact CB-CB 4.34Å; D119-D151 PolarHBondContact N-OD2 3.19Å; D119-T155 HydrophobicContact CB-CG2 3.8Å; D119-T155 VanDerWaalsContact OD2-CG2 3.3Å; D119-T155 WeakPolarHBondContact OD2-CG2 3.34Å; D119-H156 IonicContact OD1-CE1 3.3Å; D119-H156 IonicContact OD1-ND1 2.78Å; D119-H156 PolarHBondContact OD1-ND1 3.37Å; D119-H156 WeakPolarHBondContact OD2-CA 3.44Å; D119-H156 IonicContact OD2-CE1 2.81Å; D119-H156 IonicContact OD2-CG 3.62Å; D119-H156 PolarHBondContact OD2-N 3.32Å; D119-H156 IonicContact OD2-ND1 3.82Å; D119-H156 PolarHBondContact OD2-ND1 3.41Å; D119-W159 HydrophobicContact CB-CD2 4.11Å; D119-W159 HydrophobicContact CB-CE3 3.77Å; D119-W159 HydrophobicContact CB-CZ3 4.19Å; D119-W159 VanDerWaalsContact CG-CE3 3.44Å; D119-W159 VanDerWaalsContact OD1-CZ3 3.31Å; D119-W159 WeakPolarHBondContact OD1-CZ3 3.48Å
120	F	97.8	Very high	97.1	Very high	106 Å²	106	29.9 Å²	29.9	47%	0.465	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	24.9	177.1	-61.1	-85.7	0	0	0	115.7	T155 A158 W159 T162	F120-T155 HydrophobicContact CD2-CG2 4.14Å; F120-T155 HydrophobicContact CE2-CG2 3.83Å; F120-A158 HydrophobicContact CZ-CB 4.35Å; F120-W159 AromaticContact CD1-CD1 3.41Å; F120-W159 VanDerWaalsContact CD1-CD1 3.41Å; F120-W159 HydrophobicContact CD1-CG 4.21Å; F120-W159 AromaticContact CD1-NE1 3.84Å; F120-W159 HydrophobicContact CD2-CB 4.3Å; F120-W159 HydrophobicContact CD2-CG 4.15Å; F120-W159 HydrophobicContact CE1-CB 4.17Å; F120-W159 AromaticContact CE1-CD1 3.36Å; F120-W159 HydrophobicContact CE1-CG 4.03Å; F120-W159 HydrophobicContact CE2-CB 3.65Å; F120-W159 AromaticContact CE2-CG 3.95Å; F120-W159 HydrophobicContact CE2-CG 3.95Å; F120-W159 AromaticContact CG-CD1 3.81Å; F120-W159 HydrophobicContact CG-CG 4.28Å; F120-W159 VanDerWaalsContact CZ-CA 3.47Å; F120-W159 HydrophobicContact CZ-CB 3.58Å; F120-W159 AromaticContact CZ-CD1 3.7Å; F120-W159 AromaticContact CZ-CG 3.89Å; F120-W159 HydrophobicContact CZ-CG 3.89Å; F120-W159 VanDerWaalsContact N-CE2 3.29Å; F120-T162 HydrophobicContact CE1-CG2 4.46Å
121	T	94.6	Very high	97.1	Very high	42 Å²	42	29.6 Å²	29.6	26%	0.258	16%	0.156	S	C	.	.			trans	-104.7	-167.3	174.5	63.4	0	0	0	0	112.5	L118 D119 C124 P125	L118-T121 HydrophobicContact CB-CG2 3.73Å; L118-T121 PolarHBondContact O-OG1 3Å; D119-T121 PolarHBondContact O-N 3.33Å; D119-T121 VanDerWaalsContact O-N 3.13Å; T121-C124 PolarHBondContact OG1-SG 2.92Å; T121-P125 WeakPolarHBondContact O-CD 3.27Å; T121-P125 VanDerWaalsContact O-CG 3.32Å; T121-P125 WeakPolarHBondContact O-CG 3.22Å
122	F	91.4	Very high	97	Very high	189 Å²	189	29.6 Å²	29.6	83%	0.829	16%	0.157	S	C	*	.	S	Bend	trans	-89.6	-61	-163.7	-48.1	-71.6	0	0	0	114.6	P125	F122-P125 WeakPolarHBondContact O-CD 3.22Å; F122-P125 WeakPolarHBondContact O-CG 3.47Å
123	V	91.5	Very high	96.9	Very high	36 Å²	36	34 Å²	34	22%	0.218	18%	0.18	C	C	.	.	H	α-helix	trans	-80.9	-34.4	-174.9	174.7	0	0	0	0	111.3	T126 E127 R200	V123-T126 WeakPolarHBondContact O-CB 3.47Å; V123-T126 PolarHBondContact O-N 3.45Å; V123-T126 PolarHBondContact O-OG1 3.01Å; V123-E127 HydrophobicContact CG1-CG 4.24Å; V123-E127 PolarHBondContact O-N 3.23Å; V123-R200 VanDerWaalsContact CG1-CZ 3.49Å
124	C	91.8	Very high	96.9	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-50.4	-50.8	-178.3	-53.2	0	0	0	0	114.2	Y116 P117 T121 T126 E127 I128 W159 R200	Y116-C124 HydrophobicContact CD2-CB 3.79Å; Y116-C124 HydrophobicContact CG-CB 4.35Å; P117-C124 VanDerWaalsContact CD-SG 3.58Å; T121-C124 PolarHBondContact OG1-SG 2.92Å; C124-T126 PolarHBondContact O-N 3.46Å; C124-E127 PolarHBondContact O-N 3.25Å; C124-I128 VanDerWaalsContact O-CG1 3.29Å; C124-I128 WeakPolarHBondContact O-CG1 3.39Å; C124-I128 PolarHBondContact O-N 2.77Å; C124-W159 HydrophobicContact CB-CH2 3.99Å; C124-R200 PolarHBondContact SG-NH1 3.03Å
125	P	95.9	Very high	96.9	Very high	11 Å²	11	36.9 Å²	36.9	7%	0.071	19%	0.191	C	C	.	.	H	α-helix	trans	-61.9	-34.1	179.7	21.8	-30.8	0	0	0	112.2	T121 F122 E127 I129 W159 L169	T121-P125 WeakPolarHBondContact O-CD 3.27Å; T121-P125 VanDerWaalsContact O-CG 3.32Å; T121-P125 WeakPolarHBondContact O-CG 3.22Å; F122-P125 WeakPolarHBondContact O-CD 3.22Å; F122-P125 WeakPolarHBondContact O-CG 3.47Å; P125-E127 VanDerWaalsContact C-N 3.35Å; P125-E127 PolarHBondContact O-N 3.39Å; P125-I129 HydrophobicContact CB-CD1 4.41Å; P125-I129 WeakPolarHBondContact O-CB 3.39Å; P125-I129 WeakPolarHBondContact O-CD1 3.29Å; P125-I129 WeakPolarHBondContact O-CG1 3.44Å; P125-I129 PolarHBondContact O-N 2.95Å; P125-W159 HydrophobicContact CB-CH2 4.1Å; P125-W159 HydrophobicContact CB-CZ2 3.57Å; P125-W159 HydrophobicContact CG-CH2 4.48Å; P125-W159 HydrophobicContact CG-CZ2 3.86Å; P125-L169 HydrophobicContact CB-CD2 3.84Å
126	T	97	Very high	96.8	Very high	83 Å²	83	41.4 Å²	41.4	51%	0.509	21%	0.212	S	C	.	.	H	α-helix	trans	-64.5	-39.5	-179.6	74.5	0	0	0	0	112	V123 C124 A130	V123-T126 WeakPolarHBondContact O-CB 3.47Å; V123-T126 PolarHBondContact O-N 3.45Å; V123-T126 PolarHBondContact O-OG1 3.01Å; C124-T126 PolarHBondContact O-N 3.46Å; T126-A130 VanDerWaalsContact O-CB 3.26Å; T126-A130 WeakPolarHBondContact O-CB 3.36Å; T126-A130 PolarHBondContact O-N 3.35Å
127	E	97.8	Very high	96.8	Very high	7 Å²	7	44.9 Å²	44.9	3%	0.033	23%	0.228	C	C	.	.	H	α-helix	trans	-69.6	-48.9	178.9	-62.1	-176	116.4	0	0	111	V123 C124 P125 I129 A130 F131 R200 R223	V123-E127 HydrophobicContact CG1-CG 4.24Å; V123-E127 PolarHBondContact O-N 3.23Å; C124-E127 PolarHBondContact O-N 3.25Å; P125-E127 VanDerWaalsContact C-N 3.35Å; P125-E127 PolarHBondContact O-N 3.39Å; E127-I129 VanDerWaalsContact C-N 3.33Å; E127-I129 PolarHBondContact O-N 3.47Å; E127-A130 PolarHBondContact O-N 2.98Å; E127-F131 WeakPolarHBondContact O-CD2 3.43Å; E127-F131 PolarHBondContact O-N 3.19Å; E127-R200 IonicContact OE2-CZ 2.77Å; E127-R200 IonicContact OE2-NH1 2.81Å; E127-R200 PolarHBondContact OE2-NH1 3.38Å; E127-R223 VanDerWaalsContact CD-NH2 3.32Å; E127-R223 WeakPolarHBondContact OE1-CB 3.38Å; E127-R223 IonicContact OE1-CZ 2.78Å; E127-R223 PolarHBondContact OE1-N 3.01Å; E127-R223 IonicContact OE1-NE 3.35Å; E127-R223 PolarHBondContact OE1-NE 2.99Å; E127-R223 IonicContact OE1-NH2 2.76Å; E127-R223 PolarHBondContact OE1-NH2 3.26Å; E127-R223 IonicContact OE2-CZ 3.78Å; E127-R223 IonicContact OE2-NE 3.47Å; E127-R223 IonicContact OE2-NH2 3.7Å; E127-R223 PolarHBondContact OE2-NH2 3.3Å
128	I	98	Very high	96.8	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-62.6	-43.1	-178	-58	168.7	0	0	0	110.1	F114 Y116 C124 G132 W159 L169 I172 I174 L176	F114-I128 HydrophobicContact CE2-CG1 4.11Å; F114-I128 HydrophobicContact CZ-CG1 4.1Å; Y116-I128 HydrophobicContact CD1-CD1 3.83Å; Y116-I128 HydrophobicContact CD1-CG1 4.25Å; Y116-I128 HydrophobicContact CD2-CD1 4.01Å; Y116-I128 HydrophobicContact CE1-CD1 3.72Å; Y116-I128 HydrophobicContact CE1-CG1 4.45Å; Y116-I128 HydrophobicContact CE2-CD1 3.87Å; Y116-I128 HydrophobicContact CG-CD1 3.98Å; C124-I128 VanDerWaalsContact O-CG1 3.29Å; C124-I128 WeakPolarHBondContact O-CG1 3.39Å; C124-I128 PolarHBondContact O-N 2.77Å; I128-G132 PolarHBondContact O-N 3.45Å; I128-W159 HydrophobicContact CD1-CH2 3.86Å; I128-W159 HydrophobicContact CD1-CZ3 3.59Å; I128-L169 HydrophobicContact CB-CD2 4.17Å; I128-L169 HydrophobicContact CD1-CD2 4.33Å; I128-L169 HydrophobicContact CG2-CD1 4.19Å; I128-L169 HydrophobicContact CG2-CD2 4.19Å; I128-I172 HydrophobicContact CB-CD1 4.37Å; I128-I172 HydrophobicContact CG2-CD1 3.19Å; I128-I174 HydrophobicContact CG2-CD1 3.8Å; I128-I174 HydrophobicContact CG2-CG1 4.32Å; I128-L176 HydrophobicContact CG2-CD2 3.88Å
129	I	97.9	Very high	96.9	Very high	31 Å²	31	46.2 Å²	46.2	16%	0.159	23%	0.228	C	C	.	.	H	α-helix	trans	-62.1	-46.5	174.4	-72	165.5	0	0	0	111.2	P125 E127 F131 G132 D133 R164 L169	P125-I129 HydrophobicContact CB-CD1 4.41Å; P125-I129 WeakPolarHBondContact O-CB 3.39Å; P125-I129 WeakPolarHBondContact O-CD1 3.29Å; P125-I129 WeakPolarHBondContact O-CG1 3.44Å; P125-I129 PolarHBondContact O-N 2.95Å; E127-I129 VanDerWaalsContact C-N 3.33Å; E127-I129 PolarHBondContact O-N 3.47Å; I129-F131 PolarHBondContact O-N 3.47Å; I129-G132 PolarHBondContact O-N 3.03Å; I129-D133 WeakPolarHBondContact CG2-OD2 3.22Å; I129-D133 WeakPolarHBondContact O-CB 3.38Å; I129-D133 PolarHBondContact O-N 2.98Å; I129-R164 HydrophobicContact CD1-CG 3.97Å; I129-L169 HydrophobicContact CG1-CD2 4.29Å
130	A	98.1	Very high	96.9	Very high	37 Å²	37	50.2 Å²	50.2	31%	0.306	26%	0.257	S	S	.	.	H	α-helix	trans	-61.6	-41.7	-178	0	0	0	0	0	112.5	T126 E127 R134 V225	T126-A130 VanDerWaalsContact O-CB 3.26Å; T126-A130 WeakPolarHBondContact O-CB 3.36Å; T126-A130 PolarHBondContact O-N 3.35Å; E127-A130 PolarHBondContact O-N 2.98Å; A130-R134 WeakPolarHBondContact O-CB 3.42Å; A130-R134 PolarHBondContact O-N 3.46Å; A130-V225 HydrophobicContact CB-CG2 3.75Å
131	F	98.4	Very high	96.9	Very high	2 Å²	2	47 Å²	47	1%	0.009	24%	0.244	C	C	.	.	H	α-helix	trans	-68.5	-41.7	173.1	-82.2	-74	0	0	0	112.4	V112 F114 E127 I129 R134 L135 F138 V145 I174 L202 V225 T228	V112-F131 HydrophobicContact CG1-CE1 4.32Å; F114-F131 HydrophobicContact CE1-CB 4.48Å; F114-F131 AromaticContact CE1-CD2 3.98Å; F114-F131 HydrophobicContact CE1-CD2 3.98Å; F114-F131 HydrophobicContact CE1-CG 4.26Å; F114-F131 HydrophobicContact CZ-CD2 4.12Å; E127-F131 WeakPolarHBondContact O-CD2 3.43Å; E127-F131 PolarHBondContact O-N 3.19Å; I129-F131 PolarHBondContact O-N 3.47Å; F131-R134 CarbonylContact O-C 3.53Å; F131-R134 PolarHBondContact O-N 2.84Å; F131-L135 WeakPolarHBondContact O-CA 3.3Å; F131-L135 PolarHBondContact O-N 2.89Å; F131-F138 AromaticContact CD1-CE2 3.88Å; F131-F138 HydrophobicContact CD1-CE2 3.88Å; F131-F138 AromaticContact CD1-CZ 3.97Å; F131-F138 HydrophobicContact CD1-CZ 3.97Å; F131-F138 HydrophobicContact CE1-CE2 4.15Å; F131-F138 AromaticContact CE1-CZ 3.75Å; F131-F138 HydrophobicContact CE1-CZ 3.75Å; F131-V145 HydrophobicContact CB-CG1 4.17Å; F131-V145 HydrophobicContact CD1-CG1 4.05Å; F131-V145 HydrophobicContact CD1-CG2 4.44Å; F131-V145 HydrophobicContact CG-CG1 4.21Å; F131-I174 HydrophobicContact CB-CD1 4.33Å; F131-L202 HydrophobicContact CE2-CD1 4.37Å; F131-L202 HydrophobicContact CZ-CD1 3.83Å; F131-V225 HydrophobicContact CD1-CG1 4.19Å; F131-V225 HydrophobicContact CD1-CG2 4.11Å; F131-V225 HydrophobicContact CD2-CG2 4Å; F131-V225 HydrophobicContact CE1-CB 4.41Å; F131-V225 HydrophobicContact CE1-CG1 4.16Å; F131-V225 HydrophobicContact CE1-CG2 4.09Å; F131-V225 HydrophobicContact CE2-CG2 3.97Å; F131-V225 HydrophobicContact CG-CG2 4.07Å; F131-V225 HydrophobicContact CZ-CG2 4.01Å; F131-T228 HydrophobicContact CE1-CG2 4.01Å; F131-T228 HydrophobicContact CZ-CG2 4.23Å
132	G	97.1	Very high	97.1	Very high	2 Å²	2	49 Å²	49	2%	0.021	25%	0.253	C	S	.	.	H	α-helix	trans	-64.9	-40.8	-179.8	0	0	0	0	0	113.9	I128 I129 R134 L135 R173	I128-G132 PolarHBondContact O-N 3.45Å; I129-G132 PolarHBondContact O-N 3.03Å; G132-R134 VanDerWaalsContact C-N 3.33Å; G132-L135 WeakPolarHBondContact O-CB 3.32Å; G132-R173 PolarHBondContact O-NH2 2.9Å
133	D	97.8	Very high	97.4	Very high	91 Å²	91	40 Å²	40	49%	0.487	21%	0.214	S	C	.	.	H	α-helix	trans	-69.8	-33.3	178.9	-70.4	-5.7	0	0	0	111	I129 R164	I129-D133 WeakPolarHBondContact CG2-OD2 3.22Å; I129-D133 WeakPolarHBondContact O-CB 3.38Å; I129-D133 PolarHBondContact O-N 2.98Å; D133-R164 IonicContact OD1-CZ 3.56Å; D133-R164 IonicContact OD1-NH1 3.46Å; D133-R164 PolarHBondContact OD1-NH1 3.39Å; D133-R164 IonicContact OD1-NH2 3.72Å; D133-R164 PolarHBondContact OD1-NH2 2.98Å; D133-R164 IonicContact OD2-CZ 2.67Å; D133-R164 IonicContact OD2-NH1 3.78Å; D133-R164 PolarHBondContact OD2-NH1 2.88Å; D133-R164 IonicContact OD2-NH2 3.7Å
134	R	98.1	Very high	97.8	Very high	60 Å²	60	39.5 Å²	39.5	23%	0.226	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	13.2	179.3	-64.2	179.2	63.1	-175.4	-1.1	114.6	A130 F131 G132 E136 E137 V225 D226	A130-R134 WeakPolarHBondContact O-CB 3.42Å; A130-R134 PolarHBondContact O-N 3.46Å; F131-R134 CarbonylContact O-C 3.53Å; F131-R134 PolarHBondContact O-N 2.84Å; G132-R134 VanDerWaalsContact C-N 3.33Å; R134-E136 PolarHBondContact O-N 3.03Å; R134-E136 VanDerWaalsContact O-N 3.1Å; R134-E137 WeakPolarHBondContact CB-OE1 3.47Å; R134-E137 WeakPolarHBondContact CG-OE1 3.35Å; R134-E137 IonicContact CZ-OE1 3.48Å; R134-E137 IonicContact CZ-OE2 2.84Å; R134-E137 IonicContact NE-OE1 3.38Å; R134-E137 PolarHBondContact NE-OE1 3.03Å; R134-E137 IonicContact NE-OE2 2.78Å; R134-E137 PolarHBondContact NE-OE2 2.77Å; R134-E137 IonicContact NH2-OE1 3.78Å; R134-E137 IonicContact NH2-OE2 3.69Å; R134-E137 PolarHBondContact NH2-OE2 3.44Å; R134-E137 WeakPolarHBondContact O-CB 3.19Å; R134-E137 PolarHBondContact O-N 3.08Å; R134-V225 HydrophobicContact CB-CG1 4.36Å; R134-D226 IonicContact CZ-OD1 2.79Å; R134-D226 VanDerWaalsContact CZ-OD1 3.24Å; R134-D226 VanDerWaalsContact NH1-CG 3.27Å; R134-D226 IonicContact NH1-OD1 3.23Å; R134-D226 PolarHBondContact NH1-OD1 3.42Å; R134-D226 IonicContact NH1-OD2 3.94Å; R134-D226 PolarHBondContact NH1-OD2 3.3Å; R134-D226 IonicContact NH2-OD1 3.82Å; R134-D226 PolarHBondContact NH2-OD1 2.85Å
135	L	98.1	Very high	98.1	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-56.4	-31.9	-175.4	-178.8	58.9	0	0	0	113.6	F131 G132 E137 F138 R139 V145 R173 I174	F131-L135 WeakPolarHBondContact O-CA 3.3Å; F131-L135 PolarHBondContact O-N 2.89Å; G132-L135 WeakPolarHBondContact O-CB 3.32Å; L135-E137 VanDerWaalsContact C-N 3.27Å; L135-E137 PolarHBondContact O-N 2.88Å; L135-F138 PolarHBondContact O-N 2.95Å; L135-R139 HydrophobicContact CD1-CG 4.42Å; L135-R139 HydrophobicContact CG-CG 4.32Å; L135-R139 PolarHBondContact O-N 3.23Å; L135-V145 HydrophobicContact CD1-CB 4.02Å; L135-V145 HydrophobicContact CD1-CG2 3.85Å; L135-R173 HydrophobicContact CD2-CB 3.76Å; L135-I174 HydrophobicContact CD1-CG2 3.84Å; L135-I174 HydrophobicContact CD2-CG2 3.85Å; L135-I174 HydrophobicContact CG-CG2 4.3Å
136	E	98.4	Very high	98.3	Very high	95 Å²	95	39 Å²	39	44%	0.444	21%	0.206	S	C	.	.	H	α-helix	trans	-65.7	-29.2	179.2	-63.7	-51.8	135	0	0	113	R134 F138 R139 S140 R173	R134-E136 PolarHBondContact O-N 3.03Å; R134-E136 VanDerWaalsContact O-N 3.1Å; E136-F138 VanDerWaalsContact C-N 3.29Å; E136-F138 PolarHBondContact O-N 2.6Å; E136-R139 PolarHBondContact O-N 3.01Å; E136-R139 IonicContact OE1-NH1 2.76Å; E136-S140 VanDerWaalsContact O-CB 3.28Å; E136-S140 WeakPolarHBondContact O-CB 3.31Å; E136-S140 PolarHBondContact O-N 2.8Å; E136-S140 PolarHBondContact O-OG 3.41Å; E136-R173 IonicContact OE1-CZ 3.61Å; E136-R173 IonicContact OE1-NH1 3.63Å; E136-R173 PolarHBondContact OE1-NH1 3.38Å; E136-R173 IonicContact OE1-NH2 3.38Å
137	E	98.6	Very high	98.4	Very high	73 Å²	73	35.1 Å²	35.1	34%	0.341	18%	0.182	S	C	.	.	H	α-helix	trans	-62.8	-39.9	175.1	-65.1	174.7	-127	0	0	110.6	R134 L135 S140 L229	R134-E137 WeakPolarHBondContact CB-OE1 3.47Å; R134-E137 WeakPolarHBondContact CG-OE1 3.35Å; R134-E137 IonicContact CZ-OE1 3.48Å; R134-E137 IonicContact CZ-OE2 2.84Å; R134-E137 IonicContact NE-OE1 3.38Å; R134-E137 PolarHBondContact NE-OE1 3.03Å; R134-E137 IonicContact NE-OE2 2.78Å; R134-E137 PolarHBondContact NE-OE2 2.77Å; R134-E137 IonicContact NH2-OE1 3.78Å; R134-E137 IonicContact NH2-OE2 3.69Å; R134-E137 PolarHBondContact NH2-OE2 3.44Å; R134-E137 WeakPolarHBondContact O-CB 3.19Å; R134-E137 PolarHBondContact O-N 3.08Å; L135-E137 VanDerWaalsContact C-N 3.27Å; L135-E137 PolarHBondContact O-N 2.88Å; E137-S140 PolarHBondContact O-OG 3.02Å; E137-L229 HydrophobicContact CB-CD1 4.36Å; E137-L229 HydrophobicContact CB-CD2 4.17Å; E137-L229 VanDerWaalsContact OE2-CD2 3.22Å; E137-L229 WeakPolarHBondContact OE2-CD2 3.41Å
138	F	98.8	Very high	98.4	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-72.1	-45.9	175.5	-65.3	-84.5	0	0	0	111.8	V112 F131 L135 E136 S140 I141 N142 T143 V145 V225 T228 L229	V112-F138 HydrophobicContact CG2-CD1 4.22Å; V112-F138 HydrophobicContact CG2-CE1 4.11Å; F131-F138 AromaticContact CD1-CE2 3.88Å; F131-F138 HydrophobicContact CD1-CE2 3.88Å; F131-F138 AromaticContact CD1-CZ 3.97Å; F131-F138 HydrophobicContact CD1-CZ 3.97Å; F131-F138 HydrophobicContact CE1-CE2 4.15Å; F131-F138 AromaticContact CE1-CZ 3.75Å; F131-F138 HydrophobicContact CE1-CZ 3.75Å; L135-F138 PolarHBondContact O-N 2.95Å; E136-F138 VanDerWaalsContact C-N 3.29Å; E136-F138 PolarHBondContact O-N 2.6Å; F138-S140 VanDerWaalsContact C-N 3.28Å; F138-S140 PolarHBondContact O-N 3.19Å; F138-I141 CarbonylContact O-C 3.58Å; F138-I141 WeakPolarHBondContact O-CG1 3.28Å; F138-I141 PolarHBondContact O-N 3.44Å; F138-I141 VanDerWaalsContact O-N 3.09Å; F138-N142 PolarHBondContact O-N 3.38Å; F138-T143 CarbonylContact C-O 3.46Å; F138-T143 HydrophobicContact CB-CG2 4.19Å; F138-T143 HydrophobicContact CD1-CG2 3.97Å; F138-T143 WeakPolarHBondContact O-CA 3.33Å; F138-T143 VanDerWaalsContact O-CB 3.31Å; F138-T143 WeakPolarHBondContact O-CB 3.4Å; F138-T143 PolarHBondContact O-N 2.79Å; F138-V145 HydrophobicContact CB-CG2 4.14Å; F138-V145 HydrophobicContact CD1-CG2 4.29Å; F138-V145 HydrophobicContact CD2-CG2 3.99Å; F138-V145 HydrophobicContact CG-CG2 3.87Å; F138-V225 HydrophobicContact CE2-CG1 3.78Å; F138-V225 HydrophobicContact CZ-CG1 3.9Å; F138-T228 HydrophobicContact CE1-CG2 4.07Å; F138-T228 HydrophobicContact CZ-CG2 4.35Å; F138-L229 HydrophobicContact CD1-CD1 4.13Å; F138-L229 HydrophobicContact CE1-CB 4.23Å; F138-L229 HydrophobicContact CE1-CD1 4.03Å; F138-L229 HydrophobicContact CZ-CB 4.14Å; F138-L229 HydrophobicContact CZ-CD1 4.35Å
139	R	98.6	Very high	98.5	Very high	94 Å²	94	34.8 Å²	34.8	36%	0.355	18%	0.18	S	C	.	.	H	α-helix	trans	-62.9	-35.3	-179.6	-74.5	-178.2	169.3	166.5	-1.7	112.7	L135 E136 I141 N142 T143 E144	L135-R139 HydrophobicContact CD1-CG 4.42Å; L135-R139 HydrophobicContact CG-CG 4.32Å; L135-R139 PolarHBondContact O-N 3.23Å; E136-R139 PolarHBondContact O-N 3.01Å; E136-R139 IonicContact OE1-NH1 2.76Å; R139-I141 PolarHBondContact O-N 2.84Å; R139-I141 VanDerWaalsContact O-N 3.16Å; R139-N142 PolarHBondContact O-N 3.39Å; R139-T143 WeakPolarHBondContact CA-O 3.46Å; R139-T143 PolarHBondContact N-O 3.47Å; R139-E144 IonicContact CZ-OE2 3.24Å; R139-E144 IonicContact NE-OE1 2.77Å; R139-E144 IonicContact NE-OE2 3.49Å; R139-E144 PolarHBondContact NE-OE2 3.33Å; R139-E144 IonicContact NH2-OE2 2.82Å; R139-E144 PolarHBondContact NH2-OE2 2.86Å
140	S	98.6	Very high	98.5	Very high	95 Å²	95	34 Å²	34	66%	0.664	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-23.5	176.8	75.6	0	0	0	0	113.7	E136 E137 F138	E136-S140 VanDerWaalsContact O-CB 3.28Å; E136-S140 WeakPolarHBondContact O-CB 3.31Å; E136-S140 PolarHBondContact O-N 2.8Å; E136-S140 PolarHBondContact O-OG 3.41Å; E137-S140 PolarHBondContact O-OG 3.02Å; F138-S140 VanDerWaalsContact C-N 3.28Å; F138-S140 PolarHBondContact O-N 3.19Å
141	I	98.5	Very high	98.5	Very high	38 Å²	38	33.5 Å²	33.5	20%	0.195	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.8	31	175.9	63.8	174.1	0	0	0	111.9	F138 R139 T143 L229 V232 Q233 Q236	F138-I141 CarbonylContact O-C 3.58Å; F138-I141 WeakPolarHBondContact O-CG1 3.28Å; F138-I141 PolarHBondContact O-N 3.44Å; F138-I141 VanDerWaalsContact O-N 3.09Å; R139-I141 PolarHBondContact O-N 2.84Å; R139-I141 VanDerWaalsContact O-N 3.16Å; I141-T143 VanDerWaalsContact C-N 3.31Å; I141-T143 PolarHBondContact O-N 2.89Å; I141-T143 PolarHBondContact O-OG1 3.47Å; I141-L229 HydrophobicContact CD1-CD1 3.78Å; I141-V232 HydrophobicContact CD1-CB 4.36Å; I141-V232 HydrophobicContact CD1-CG1 3.64Å; I141-V232 HydrophobicContact CG1-CG1 4.42Å; I141-Q233 HydrophobicContact CD1-CG 3.9Å; I141-Q236 PolarHBondContact O-NE2 3.3Å
142	N	98.8	Very high	98.5	Very high	83 Å²	83	34.4 Å²	34.4	44%	0.444	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	42.8	177.1	-167.9	45.5	0	0	0	113.8	G108 K109 Y110 F138 R139	G108-N142 PolarHBondContact O-ND2 3.38Å; K109-N142 WeakPolarHBondContact CG-OD1 3.44Å; Y110-N142 PolarHBondContact N-O 3.46Å; F138-N142 PolarHBondContact O-N 3.38Å; R139-N142 PolarHBondContact O-N 3.39Å
143	T	98.9	Very high	98.6	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	134.7	179.3	-55.5	0	0	0	0	110.9	Y110 V112 F138 R139 I141 V232 Q236	Y110-T143 VanDerWaalsContact CB-OG1 3.3Å; Y110-T143 WeakPolarHBondContact CB-OG1 3.48Å; Y110-T143 CarbonylContact O-C 3.52Å; Y110-T143 VanDerWaalsContact O-CA 3.28Å; Y110-T143 WeakPolarHBondContact O-CA 3.44Å; V112-T143 HydrophobicContact CG2-CG2 4.04Å; F138-T143 CarbonylContact C-O 3.46Å; F138-T143 HydrophobicContact CB-CG2 4.19Å; F138-T143 HydrophobicContact CD1-CG2 3.97Å; F138-T143 WeakPolarHBondContact O-CA 3.33Å; F138-T143 VanDerWaalsContact O-CB 3.31Å; F138-T143 WeakPolarHBondContact O-CB 3.4Å; F138-T143 PolarHBondContact O-N 2.79Å; R139-T143 WeakPolarHBondContact CA-O 3.46Å; R139-T143 PolarHBondContact N-O 3.47Å; I141-T143 VanDerWaalsContact C-N 3.31Å; I141-T143 PolarHBondContact O-N 2.89Å; I141-T143 PolarHBondContact O-OG1 3.47Å; T143-V232 HydrophobicContact CG2-CG1 4.16Å; T143-V232 HydrophobicContact CG2-CG2 4.36Å; T143-V232 WeakPolarHBondContact OG1-CG1 3.38Å; T143-Q236 PolarHBondContact OG1-NE2 2.96Å
144	E	98.8	Very high	98.7	Very high	26 Å²	26	37.8 Å²	37.8	12%	0.121	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	164.8	172.1	-61.3	-69.5	170.7	0	0	111.1	Y106 K109 Y110 L111 V112 R139	Y106-E144 HydrophobicContact CD1-CB 3.68Å; Y106-E144 HydrophobicContact CD1-CG 3.88Å; Y106-E144 HydrophobicContact CE1-CB 3.56Å; Y106-E144 HydrophobicContact CE1-CG 3.86Å; K109-E144 HydrophobicContact CD-CG 3.69Å; K109-E144 IonicContact NZ-OE1 3.44Å; K109-E144 PolarHBondContact NZ-OE1 2.71Å; Y110-E144 PolarHBondContact O-N 2.78Å; L111-E144 HydrophobicContact CD1-CB 4.4Å; V112-E144 PolarHBondContact N-O 3.31Å; R139-E144 IonicContact CZ-OE2 3.24Å; R139-E144 IonicContact NE-OE1 2.77Å; R139-E144 IonicContact NE-OE2 3.49Å; R139-E144 PolarHBondContact NE-OE2 3.33Å; R139-E144 IonicContact NH2-OE2 2.82Å; R139-E144 PolarHBondContact NH2-OE2 2.86Å
145	V	98.8	Very high	98.7	Very high	2 Å²	2	37 Å²	37	1%	0.012	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	132	-179.4	-174	0	0	0	0	109.6	V112 F114 F131 L135 F138 I174 P175	V112-V145 HydrophobicContact CB-CG1 4.32Å; V112-V145 HydrophobicContact CB-CG2 4.2Å; V112-V145 HydrophobicContact CG1-CG1 4.37Å; V112-V145 WeakPolarHBondContact O-CA 3.28Å; F114-V145 HydrophobicContact CD1-CG1 4.05Å; F114-V145 HydrophobicContact CE1-CG1 3.75Å; F131-V145 HydrophobicContact CB-CG1 4.17Å; F131-V145 HydrophobicContact CD1-CG1 4.05Å; F131-V145 HydrophobicContact CD1-CG2 4.44Å; F131-V145 HydrophobicContact CG-CG1 4.21Å; L135-V145 HydrophobicContact CD1-CB 4.02Å; L135-V145 HydrophobicContact CD1-CG2 3.85Å; F138-V145 HydrophobicContact CB-CG2 4.14Å; F138-V145 HydrophobicContact CD1-CG2 4.29Å; F138-V145 HydrophobicContact CD2-CG2 3.99Å; F138-V145 HydrophobicContact CG-CG2 3.87Å; V145-I174 HydrophobicContact CB-CG2 4.03Å; V145-I174 HydrophobicContact CG1-CG2 4.32Å; V145-P175 WeakPolarHBondContact O-CD 3.21Å
146	V	98.9	Very high	98.7	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	132	176.1	174.9	0	0	0	0	109.4	L101 Y106 L111 V112 F113 F114 P175 L177	L101-V146 HydrophobicContact CD2-CG1 4.33Å; L101-V146 HydrophobicContact CD2-CG2 4.24Å; Y106-V146 HydrophobicContact CE1-CG2 4.15Å; Y106-V146 HydrophobicContact CE2-CG2 3.98Å; Y106-V146 WeakPolarHBondContact OH-CG2 3.45Å; L111-V146 HydrophobicContact CD1-CB 4.25Å; L111-V146 HydrophobicContact CD1-CG2 3.82Å; V112-V146 PolarHBondContact O-N 3.41Å; F113-V146 HydrophobicContact CD2-CB 4.04Å; F113-V146 HydrophobicContact CD2-CG1 3.91Å; F113-V146 HydrophobicContact CE2-CG1 4.04Å; F114-V146 WeakPolarHBondContact CD1-O 3.35Å; F114-V146 PolarHBondContact N-O 2.93Å; V146-P175 HydrophobicContact CG1-CB 4.46Å; V146-P175 HydrophobicContact CG2-CB 4.37Å; V146-P175 HydrophobicContact CG2-CG 4.25Å; V146-L177 HydrophobicContact CG1-CB 4.23Å
147	A	98.9	Very high	98.7	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	146.6	173.4	0	0	0	0	0	110.2	F114 Y116 I174 P175 L176 L177	F114-A147 HydrophobicContact CD1-CB 4.41Å; F114-A147 HydrophobicContact CD2-CB 4.48Å; F114-A147 HydrophobicContact CE1-CB 3.71Å; F114-A147 HydrophobicContact CE2-CB 3.78Å; F114-A147 HydrophobicContact CZ-CB 3.35Å; F114-A147 CarbonylContact O-C 3.6Å; F114-A147 VanDerWaalsContact O-CA 3.32Å; F114-A147 WeakPolarHBondContact O-CA 3.43Å; Y116-A147 HydrophobicContact CD1-CB 4.21Å; Y116-A147 HydrophobicContact CE1-CB 3.96Å; A147-I174 HydrophobicContact CB-CD1 4.1Å; A147-P175 PolarHBondContact N-O 3.34Å; A147-P175 VanDerWaalsContact N-O 3.08Å; A147-L176 HydrophobicContact CB-CD2 3.76Å; A147-L177 PolarHBondContact O-N 3.32Å
148	C	98.9	Very high	98.7	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	140.6	-179.6	-175.1	0	0	0	0	111.5	F113 F114 F115 Y116 L177	F113-C148 HydrophobicContact CE2-CB 3.76Å; F113-C148 HydrophobicContact CZ-CB 3.97Å; F114-C148 PolarHBondContact O-N 2.94Å; F115-C148 CarbonylContact C-O 3.56Å; F115-C148 WeakPolarHBondContact CA-O 3.47Å; F115-C148 HydrophobicContact CD1-CB 3.85Å; F115-C148 HydrophobicContact CE1-CB 4.06Å; F115-C148 HydrophobicContact CG-CB 4.43Å; Y116-C148 VanDerWaalsContact CD1-O 3.25Å; Y116-C148 WeakPolarHBondContact CD1-O 3.46Å; Y116-C148 WeakPolarHBondContact CE1-O 3.42Å; Y116-C148 PolarHBondContact N-O 3.1Å; C148-L177 WeakPolarHBondContact CA-O 3.12Å; C148-L177 HydrophobicContact CB-CB 4.18Å; C148-L177 HydrophobicContact CB-CD2 4.46Å
149	S	98.9	Very high	98.7	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	178.7	163.1	79	0	0	0	0	110.6	Y116 D151 H156 L177 D179	Y116-S149 WeakPolarHBondContact O-CB 3.48Å; Y116-S149 PolarHBondContact OH-OG 3.47Å; S149-D151 PolarHBondContact O-N 3.02Å; S149-D151 WeakPolarHBondContact OG-CB 3.4Å; S149-D151 PolarHBondContact OG-N 2.92Å; S149-D151 PolarHBondContact OG-OD2 2.97Å; S149-H156 PolarHBondContact OG-CE1 3.13Å; S149-L177 PolarHBondContact N-O 3.46Å; S149-D179 WeakPolarHBondContact O-CB 3.38Å; S149-D179 PolarHBondContact O-N 2.88Å
150	V	98.8	Very high	98.7	Very high	14 Å²	14	29.5 Å²	29.5	9%	0.085	17%	0.167	C	C	.	.	S	Bend	trans	-78.7	-3	176.6	-62	0	0	0	0	113.4	L118 Y191 H197 T198	L118-V150 HydrophobicContact CD2-CG2 3.99Å; V150-Y191 HydrophobicContact CG1-CE2 4.47Å; V150-H197 HydrophobicContact CG2-CB 3.98Å; V150-T198 HydrophobicContact CG1-CG2 4.28Å
151	D	98.8	Very high	98.6	Very high	28 Å²	28	30.7 Å²	30.7	15%	0.15	17%	0.166	C	C	.	.	S	Bend	trans	-72	157.3	180	-59.7	-79.6	0	0	0	111.8	L118 D119 S149 T155 S178	L118-D151 WeakPolarHBondContact CA-OD2 3.02Å; D119-D151 HydrophobicContact CB-CB 4.34Å; D119-D151 PolarHBondContact N-OD2 3.19Å; S149-D151 PolarHBondContact O-N 3.02Å; S149-D151 WeakPolarHBondContact OG-CB 3.4Å; S149-D151 PolarHBondContact OG-N 2.92Å; S149-D151 PolarHBondContact OG-OD2 2.97Å; D151-T155 HydrophobicContact CB-CG2 4.36Å; D151-S178 VanDerWaalsContact O-CB 3.28Å; D151-S178 WeakPolarHBondContact O-CB 3.49Å; D151-S178 PolarHBondContact O-OG 2.84Å
152	S	98.7	Very high	98.6	Very high	21 Å²	21	30.2 Å²	30.2	15%	0.147	17%	0.165	C	C	.	.			trans	-72.6	154.1	176.7	78.4	0	0	0	0	112.1	F154 T155 H156 S178	S152-F154 PolarHBondContact O-N 2.78Å; S152-F154 VanDerWaalsContact O-N 3.12Å; S152-F154 PolarHBondContact OG-N 2.76Å; S152-T155 WeakPolarHBondContact O-CB 3.38Å; S152-T155 PolarHBondContact O-N 3.24Å; S152-T155 PolarHBondContact OG-N 3.24Å; S152-T155 VanDerWaalsContact OG-N 3.09Å; S152-T155 PolarHBondContact OG-OG1 3.27Å; S152-H156 PolarHBondContact O-N 2.93Å; S152-S178 WeakPolarHBondContact CA-OG 3.43Å
153	Q	98.5	Very high	98.6	Very high	32 Å²	32	29.4 Å²	29.4	15%	0.15	16%	0.164	C	C	.	.	H	α-helix	trans	-56.5	-27.5	170.2	70.5	-81.4	28.1	0	0	113.1	T91 V93 F98 L157 S178	T91-Q153 HydrophobicContact CG2-CB 4.18Å; T91-Q153 HydrophobicContact CG2-CG 4Å; V93-Q153 HydrophobicContact CG2-CB 4.16Å; V93-Q153 WeakPolarHBondContact CG2-O 3.37Å; F98-Q153 HydrophobicContact CD1-CB 4Å; F98-Q153 HydrophobicContact CD1-CG 3.87Å; F98-Q153 HydrophobicContact CE1-CB 4.01Å; F98-Q153 HydrophobicContact CE1-CG 3.87Å; F98-Q153 WeakPolarHBondContact CE1-O 3.34Å; F98-Q153 HydrophobicContact CG-CG 4.23Å; F98-Q153 HydrophobicContact CZ-CG 4.21Å; Q153-L157 PolarHBondContact O-N 2.86Å; Q153-L157 VanDerWaalsContact O-N 3.07Å; Q153-S178 PolarHBondContact N-OG 3.18Å
154	F	98.6	Very high	98.5	Very high	131 Å²	131	34 Å²	34	58%	0.575	18%	0.182	S	C	*	.	H	α-helix	trans	-70.5	-41.5	175.3	-56.1	-74.8	0	0	0	111.6	F98 S152 L157 A158	F98-F154 AromaticContact CE2-CD1 3.94Å; F98-F154 HydrophobicContact CE2-CD1 3.94Å; F98-F154 AromaticContact CE2-CE1 3.72Å; F98-F154 HydrophobicContact CE2-CE1 3.72Å; F98-F154 AromaticContact CZ-CD1 3.77Å; F98-F154 HydrophobicContact CZ-CD1 3.77Å; F98-F154 HydrophobicContact CZ-CE1 4.04Å; S152-F154 PolarHBondContact O-N 2.78Å; S152-F154 VanDerWaalsContact O-N 3.12Å; S152-F154 PolarHBondContact OG-N 2.76Å; F154-L157 PolarHBondContact O-N 3.01Å; F154-A158 PolarHBondContact O-N 2.93Å
155	T	98.6	Very high	98.4	Very high	44 Å²	44	44.8 Å²	44.8	27%	0.27	22%	0.221	S	C	.	.	H	α-helix	trans	-63	-45.5	174.7	-49.5	0	0	0	0	110.3	D119 F120 D151 S152 L157 A158 W159	D119-T155 HydrophobicContact CB-CG2 3.8Å; D119-T155 VanDerWaalsContact OD2-CG2 3.3Å; D119-T155 WeakPolarHBondContact OD2-CG2 3.34Å; F120-T155 HydrophobicContact CD2-CG2 4.14Å; F120-T155 HydrophobicContact CE2-CG2 3.83Å; D151-T155 HydrophobicContact CB-CG2 4.36Å; S152-T155 WeakPolarHBondContact O-CB 3.38Å; S152-T155 PolarHBondContact O-N 3.24Å; S152-T155 PolarHBondContact OG-N 3.24Å; S152-T155 VanDerWaalsContact OG-N 3.09Å; S152-T155 PolarHBondContact OG-OG1 3.27Å; T155-L157 VanDerWaalsContact C-N 3.35Å; T155-L157 PolarHBondContact O-N 3.07Å; T155-A158 WeakPolarHBondContact O-CB 3.43Å; T155-A158 PolarHBondContact O-N 2.89Å; T155-A158 VanDerWaalsContact O-N 3.16Å; T155-W159 WeakPolarHBondContact O-CB 3.31Å; T155-W159 PolarHBondContact O-N 3.43Å
156	H	98.6	Very high	98.2	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-55.5	-48.4	175.4	-68.3	-16.8	0	0	0	112.1	V93 Y116 D119 S149 S152 A158 W159 I160 L176 L177	V93-H156 HydrophobicContact CB-CB 4.5Å; V93-H156 HydrophobicContact CG2-CB 3.64Å; Y116-H156 PolarHBondContact OH-CE1 3.1Å; Y116-H156 PolarHBondContact OH-ND1 2.65Å; D119-H156 IonicContact OD1-CE1 3.3Å; D119-H156 IonicContact OD1-ND1 2.78Å; D119-H156 PolarHBondContact OD1-ND1 3.37Å; D119-H156 WeakPolarHBondContact OD2-CA 3.44Å; D119-H156 IonicContact OD2-CE1 2.81Å; D119-H156 IonicContact OD2-CG 3.62Å; D119-H156 PolarHBondContact OD2-N 3.32Å; D119-H156 IonicContact OD2-ND1 3.82Å; D119-H156 PolarHBondContact OD2-ND1 3.41Å; S149-H156 PolarHBondContact OG-CE1 3.13Å; S152-H156 PolarHBondContact O-N 2.93Å; H156-A158 PolarHBondContact O-N 3.09Å; H156-W159 PolarHBondContact O-N 3.19Å; H156-W159 VanDerWaalsContact O-N 3.16Å; H156-I160 WeakPolarHBondContact O-CG1 3.22Å; H156-I160 PolarHBondContact O-N 3.12Å; H156-L176 HydrophobicContact CB-CB 4.22Å; H156-L176 HydrophobicContact CB-CD1 4.12Å; H156-L176 PolarHBondContact CD2-O 2.81Å; H156-L177 PolarHBondContact NE2-O 3.27Å
157	L	98.3	Very high	98.1	Very high	40 Å²	40	53.6 Å²	53.6	21%	0.209	27%	0.272	C	S	.	.	H	α-helix	trans	-63.8	-40.6	179	-177.7	61.2	0	0	0	111.7	V93 F98 Q153 F154 T155 W159 I160 N161	V93-L157 HydrophobicContact CG1-CD1 4.12Å; V93-L157 HydrophobicContact CG2-CB 4.42Å; F98-L157 HydrophobicContact CE1-CB 4.04Å; F98-L157 HydrophobicContact CE1-CD2 3.94Å; F98-L157 HydrophobicContact CZ-CB 4.36Å; F98-L157 HydrophobicContact CZ-CD2 3.73Å; Q153-L157 PolarHBondContact O-N 2.86Å; Q153-L157 VanDerWaalsContact O-N 3.07Å; F154-L157 PolarHBondContact O-N 3.01Å; T155-L157 VanDerWaalsContact C-N 3.35Å; T155-L157 PolarHBondContact O-N 3.07Å; L157-W159 VanDerWaalsContact C-N 3.29Å; L157-W159 PolarHBondContact O-N 3.19Å; L157-I160 PolarHBondContact O-N 3.21Å; L157-N161 WeakPolarHBondContact O-CB 3.45Å; L157-N161 PolarHBondContact O-N 3.25Å; L157-N161 PolarHBondContact O-ND2 3.18Å; L157-N161 VanDerWaalsContact O-ND2 3.11Å
158	A	98.5	Very high	98	Very high	47 Å²	47	53.6 Å²	53.6	39%	0.388	27%	0.272	S	S	.	.	H	α-helix	trans	-61.6	-38.4	174	0	0	0	0	0	111.9	F120 F154 T155 H156 N161 T162	F120-A158 HydrophobicContact CZ-CB 4.35Å; F154-A158 PolarHBondContact O-N 2.93Å; T155-A158 WeakPolarHBondContact O-CB 3.43Å; T155-A158 PolarHBondContact O-N 2.89Å; T155-A158 VanDerWaalsContact O-N 3.16Å; H156-A158 PolarHBondContact O-N 3.09Å; A158-N161 PolarHBondContact O-N 2.74Å; A158-T162 PolarHBondContact O-N 3.22Å; A158-T162 VanDerWaalsContact O-N 3.11Å; A158-T162 PolarHBondContact O-OG1 2.89Å
159	W	98.4	Very high	97.9	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-73.3	-37.2	-179.9	-162	29.6	0	0	0	113.1	Y116 D119 F120 C124 P125 I128 T155 H156 L157 N161 T162 G167 L169	Y116-W159 HydrophobicContact CD2-CZ3 4.47Å; Y116-W159 HydrophobicContact CE2-CH2 4.32Å; Y116-W159 AromaticContact CE2-CZ3 3.68Å; Y116-W159 HydrophobicContact CE2-CZ3 3.68Å; D119-W159 HydrophobicContact CB-CD2 4.11Å; D119-W159 HydrophobicContact CB-CE3 3.77Å; D119-W159 HydrophobicContact CB-CZ3 4.19Å; D119-W159 VanDerWaalsContact CG-CE3 3.44Å; D119-W159 VanDerWaalsContact OD1-CZ3 3.31Å; D119-W159 WeakPolarHBondContact OD1-CZ3 3.48Å; F120-W159 AromaticContact CD1-CD1 3.41Å; F120-W159 VanDerWaalsContact CD1-CD1 3.41Å; F120-W159 HydrophobicContact CD1-CG 4.21Å; F120-W159 AromaticContact CD1-NE1 3.84Å; F120-W159 HydrophobicContact CD2-CB 4.3Å; F120-W159 HydrophobicContact CD2-CG 4.15Å; F120-W159 HydrophobicContact CE1-CB 4.17Å; F120-W159 AromaticContact CE1-CD1 3.36Å; F120-W159 HydrophobicContact CE1-CG 4.03Å; F120-W159 HydrophobicContact CE2-CB 3.65Å; F120-W159 AromaticContact CE2-CG 3.95Å; F120-W159 HydrophobicContact CE2-CG 3.95Å; F120-W159 AromaticContact CG-CD1 3.81Å; F120-W159 HydrophobicContact CG-CG 4.28Å; F120-W159 VanDerWaalsContact CZ-CA 3.47Å; F120-W159 HydrophobicContact CZ-CB 3.58Å; F120-W159 AromaticContact CZ-CD1 3.7Å; F120-W159 AromaticContact CZ-CG 3.89Å; F120-W159 HydrophobicContact CZ-CG 3.89Å; F120-W159 VanDerWaalsContact N-CE2 3.29Å; C124-W159 HydrophobicContact CB-CH2 3.99Å; P125-W159 HydrophobicContact CB-CH2 4.1Å; P125-W159 HydrophobicContact CB-CZ2 3.57Å; P125-W159 HydrophobicContact CG-CH2 4.48Å; P125-W159 HydrophobicContact CG-CZ2 3.86Å; I128-W159 HydrophobicContact CD1-CH2 3.86Å; I128-W159 HydrophobicContact CD1-CZ3 3.59Å; T155-W159 WeakPolarHBondContact O-CB 3.31Å; T155-W159 PolarHBondContact O-N 3.43Å; H156-W159 PolarHBondContact O-N 3.19Å; H156-W159 VanDerWaalsContact O-N 3.16Å; L157-W159 VanDerWaalsContact C-N 3.29Å; L157-W159 PolarHBondContact O-N 3.19Å; W159-N161 VanDerWaalsContact C-N 3.31Å; W159-T162 WeakPolarHBondContact O-CB 3.35Å; W159-T162 PolarHBondContact O-N 3.08Å; W159-T162 VanDerWaalsContact O-N 3.16Å; W159-G167 PolarHBondContact NE1-O 2.83Å; W159-L169 HydrophobicContact CD2-CD1 3.91Å; W159-L169 HydrophobicContact CD2-CD2 4.23Å; W159-L169 HydrophobicContact CD2-CG 3.73Å; W159-L169 HydrophobicContact CE3-CD1 3.57Å; W159-L169 HydrophobicContact CE3-CD2 4.24Å; W159-L169 HydrophobicContact CE3-CG 3.87Å; W159-L169 HydrophobicContact CG-CD1 4.43Å; W159-L169 HydrophobicContact CG-CG 4.16Å; W159-L169 HydrophobicContact CH2-CD2 4Å; W159-L169 HydrophobicContact CZ2-CD2 4Å; W159-L169 HydrophobicContact CZ2-CG 4.4Å; W159-L169 HydrophobicContact CZ3-CD1 3.98Å; W159-L169 HydrophobicContact CZ3-CD2 4.11Å; W159-L169 HydrophobicContact CZ3-CG 4.24Å; W159-L169 PolarHBondContact O-N 3.27Å; W159-L169 VanDerWaalsContact O-N 3.1Å
160	I	98.2	Very high	97.7	Very high	19 Å²	19	54 Å²	54	10%	0.097	28%	0.276	C	S	.	.	H	α-helix	trans	-58.5	-44.2	168.3	-71.4	167.2	0	0	0	110.6	V93 H156 L157 T162 L169 G170 I172 L176	V93-I160 HydrophobicContact CB-CD1 4.07Å; V93-I160 HydrophobicContact CG1-CD1 3.66Å; H156-I160 WeakPolarHBondContact O-CG1 3.22Å; H156-I160 PolarHBondContact O-N 3.12Å; L157-I160 PolarHBondContact O-N 3.21Å; I160-T162 PolarHBondContact O-N 2.99Å; I160-L169 HydrophobicContact CG1-CD1 4.2Å; I160-G170 CarbonylContact O-C 3.5Å; I160-G170 WeakPolarHBondContact O-CA 3.14Å; I160-G170 PolarHBondContact O-N 3.09Å; I160-I172 HydrophobicContact CD1-CG2 3.88Å; I160-I172 HydrophobicContact CG1-CG2 3.82Å; I160-L176 HydrophobicContact CD1-CD1 3.76Å; I160-L176 HydrophobicContact CD1-CG 4.36Å; I160-L176 HydrophobicContact CG1-CD1 3.92Å
161	N	97.9	Very high	97.4	Very high	119 Å²	119	58.9 Å²	58.9	64%	0.636	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-10.5	178.9	-69.6	-28.2	0	0	0	113.7	L157 A158 W159	L157-N161 WeakPolarHBondContact O-CB 3.45Å; L157-N161 PolarHBondContact O-N 3.25Å; L157-N161 PolarHBondContact O-ND2 3.18Å; L157-N161 VanDerWaalsContact O-ND2 3.11Å; A158-N161 PolarHBondContact O-N 2.74Å; W159-N161 VanDerWaalsContact C-N 3.31Å
162	T	97.9	Very high	97.2	Very high	28 Å²	28	58.5 Å²	58.5	17%	0.172	31%	0.306	C	S	.	.	S	Bend	trans	-83	129.7	175.8	-58.4	0	0	0	0	109.8	F120 A158 W159 I160 Q166 G168 L169 G170	F120-T162 HydrophobicContact CE1-CG2 4.46Å; A158-T162 PolarHBondContact O-N 3.22Å; A158-T162 VanDerWaalsContact O-N 3.11Å; A158-T162 PolarHBondContact O-OG1 2.89Å; W159-T162 WeakPolarHBondContact O-CB 3.35Å; W159-T162 PolarHBondContact O-N 3.08Å; W159-T162 VanDerWaalsContact O-N 3.16Å; I160-T162 PolarHBondContact O-N 2.99Å; T162-Q166 HydrophobicContact CG2-CB 4.12Å; T162-G168 CarbonylContact O-C 3.11Å; T162-G168 VanDerWaalsContact O-CA 3.3Å; T162-G168 WeakPolarHBondContact O-CA 3.16Å; T162-L169 PolarHBondContact O-N 2.92Å; T162-G170 PolarHBondContact O-N 3.17Å; T162-G170 VanDerWaalsContact O-N 3.13Å
163	P	97.8	Very high	96.9	Very high	67 Å²	67	62.3 Å²	62.3	44%	0.435	32%	0.317	S	S	.	.			trans	-62.1	143.3	178.5	-24.6	34.4	0	0	0	113.1	R165 Q166 G168	P163-R165 PolarHBondContact O-N 2.88Å; P163-R165 VanDerWaalsContact O-N 3.1Å; P163-Q166 PolarHBondContact O-N 3.39Å; P163-G168 PolarHBondContact O-N 3.09Å; P163-G168 VanDerWaalsContact O-N 3.15Å
164	R	97.1	Very high	96.8	Very high	97 Å²	97	61 Å²	61	37%	0.366	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-52.6	-35	176.6	-67	-173.9	-177.8	-173.6	2.8	114	I129 D133 Q166 G167 G168 L169	I129-R164 HydrophobicContact CD1-CG 3.97Å; D133-R164 IonicContact OD1-CZ 3.56Å; D133-R164 IonicContact OD1-NH1 3.46Å; D133-R164 PolarHBondContact OD1-NH1 3.39Å; D133-R164 IonicContact OD1-NH2 3.72Å; D133-R164 PolarHBondContact OD1-NH2 2.98Å; D133-R164 IonicContact OD2-CZ 2.67Å; D133-R164 IonicContact OD2-NH1 3.78Å; D133-R164 PolarHBondContact OD2-NH1 2.88Å; D133-R164 IonicContact OD2-NH2 3.7Å; R164-Q166 PolarHBondContact O-N 2.84Å; R164-G167 PolarHBondContact O-N 2.85Å; R164-G168 WeakPolarHBondContact CA-O 3.2Å; R164-L169 WeakPolarHBondContact CG-O 3.32Å; R164-L169 PolarHBondContact NE-O 3.01Å
165	R	96.7	Very high	96.8	Very high	251 Å²	251	55.3 Å²	55.3	95%	0.947	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-64.7	-16.9	177.4	-65	-172.3	-176.4	-157.1	1.3	113.9	P163	P163-R165 PolarHBondContact O-N 2.88Å; P163-R165 VanDerWaalsContact O-N 3.1Å
166	Q	96	Very high	96.8	Very high	150 Å²	150	53.2 Å²	53.2	70%	0.701	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-106.8	14	177.5	-61.3	177	8.3	0	0	111.8	T162 P163 R164 G168	T162-Q166 HydrophobicContact CG2-CB 4.12Å; P163-Q166 PolarHBondContact O-N 3.39Å; R164-Q166 PolarHBondContact O-N 2.84Å; Q166-G168 VanDerWaalsContact C-N 3.34Å
167	G	94.9	Very high	96.8	Very high	37 Å²	37	53.2 Å²	53.2	38%	0.381	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	81	11.9	-176.3	0	0	0	0	0	114.5	W159 R164	W159-G167 PolarHBondContact NE1-O 2.83Å; R164-G167 PolarHBondContact O-N 2.85Å
168	G	97	Very high	96.8	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.01	27%	0.268	C	S	.	.			trans	-82.1	-179.4	170.7	0	0	0	0	0	113.7	T162 P163 R164 Q166	T162-G168 CarbonylContact O-C 3.11Å; T162-G168 VanDerWaalsContact O-CA 3.3Å; T162-G168 WeakPolarHBondContact O-CA 3.16Å; P163-G168 PolarHBondContact O-N 3.09Å; P163-G168 VanDerWaalsContact O-N 3.15Å; R164-G168 WeakPolarHBondContact CA-O 3.2Å; Q166-G168 VanDerWaalsContact C-N 3.34Å
169	L	97.4	Very high	96.9	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.25	C	C	.	.			trans	-92	-29.5	178	-58.5	178.5	0	0	0	112.6	P125 I128 I129 W159 I160 T162 R164 I172 L176	P125-L169 HydrophobicContact CB-CD2 3.84Å; I128-L169 HydrophobicContact CB-CD2 4.17Å; I128-L169 HydrophobicContact CD1-CD2 4.33Å; I128-L169 HydrophobicContact CG2-CD1 4.19Å; I128-L169 HydrophobicContact CG2-CD2 4.19Å; I129-L169 HydrophobicContact CG1-CD2 4.29Å; W159-L169 HydrophobicContact CD2-CD1 3.91Å; W159-L169 HydrophobicContact CD2-CD2 4.23Å; W159-L169 HydrophobicContact CD2-CG 3.73Å; W159-L169 HydrophobicContact CE3-CD1 3.57Å; W159-L169 HydrophobicContact CE3-CD2 4.24Å; W159-L169 HydrophobicContact CE3-CG 3.87Å; W159-L169 HydrophobicContact CG-CD1 4.43Å; W159-L169 HydrophobicContact CG-CG 4.16Å; W159-L169 HydrophobicContact CH2-CD2 4Å; W159-L169 HydrophobicContact CZ2-CD2 4Å; W159-L169 HydrophobicContact CZ2-CG 4.4Å; W159-L169 HydrophobicContact CZ3-CD1 3.98Å; W159-L169 HydrophobicContact CZ3-CD2 4.11Å; W159-L169 HydrophobicContact CZ3-CG 4.24Å; W159-L169 PolarHBondContact O-N 3.27Å; W159-L169 VanDerWaalsContact O-N 3.1Å; I160-L169 HydrophobicContact CG1-CD1 4.2Å; T162-L169 PolarHBondContact O-N 2.92Å; R164-L169 WeakPolarHBondContact CG-O 3.32Å; R164-L169 PolarHBondContact NE-O 3.01Å; L169-I172 HydrophobicContact CB-CD1 4.5Å; L169-I172 HydrophobicContact CD1-CD1 4.37Å; L169-L176 HydrophobicContact CD1-CD1 3.58Å
170	G	95.9	Very high	96.9	Very high	7 Å²	7	54.3 Å²	54.3	7%	0.072	27%	0.274	C	S	.	.			trans	61.8	-162.4	-165.3	0	0	0	0	0	112.2	I160 T162 I172	I160-G170 CarbonylContact O-C 3.5Å; I160-G170 WeakPolarHBondContact O-CA 3.14Å; I160-G170 PolarHBondContact O-N 3.09Å; T162-G170 PolarHBondContact O-N 3.17Å; T162-G170 VanDerWaalsContact O-N 3.13Å; G170-I172 PolarHBondContact O-N 2.91Å
171	P	92.3	Very high	96.9	Very high	118 Å²	118	58.8 Å²	58.8	77%	0.766	30%	0.302	S	S	*	.	S	Bend	trans	-56.9	126.9	176.2	-23.6	33.9	0	0	0	111
172	I	93	Very high	96.9	Very high	19 Å²	19	55.4 Å²	55.4	10%	0.097	28%	0.283	C	S	.	.			trans	-135.1	146.5	-179.1	-156.5	159.3	0	0	0	111.4	I128 I160 L169 G170 I174	I128-I172 HydrophobicContact CB-CD1 4.37Å; I128-I172 HydrophobicContact CG2-CD1 3.19Å; I160-I172 HydrophobicContact CD1-CG2 3.88Å; I160-I172 HydrophobicContact CG1-CG2 3.82Å; L169-I172 HydrophobicContact CB-CD1 4.5Å; L169-I172 HydrophobicContact CD1-CD1 4.37Å; G170-I172 PolarHBondContact O-N 2.91Å; I172-I174 HydrophobicContact CD1-CD1 4.43Å; I172-I174 HydrophobicContact CD1-CG1 3.94Å; I172-I174 HydrophobicContact CG1-CG1 3.95Å
173	R	92.3	Very high	96.9	Very high	102 Å²	102	58.7 Å²	58.7	39%	0.385	30%	0.296	S	S	.	.			trans	-112.1	-4.4	-172.4	-60.2	-174.3	-63.9	149.3	4.5	113.9	G132 L135 E136	G132-R173 PolarHBondContact O-NH2 2.9Å; L135-R173 HydrophobicContact CD2-CB 3.76Å; E136-R173 IonicContact OE1-CZ 3.61Å; E136-R173 IonicContact OE1-NH1 3.63Å; E136-R173 PolarHBondContact OE1-NH1 3.38Å; E136-R173 IonicContact OE1-NH2 3.38Å
174	I	97.2	Very high	97	Very high	3 Å²	3	56.2 Å²	56.2	2%	0.015	28%	0.279	C	S	.	.	S	Bend	trans	-94	139.2	172.8	62.8	172.3	0	0	0	109.2	F114 I128 F131 L135 V145 A147 I172 L176	F114-I174 HydrophobicContact CE1-CD1 4.14Å; F114-I174 HydrophobicContact CZ-CD1 4.16Å; I128-I174 HydrophobicContact CG2-CD1 3.8Å; I128-I174 HydrophobicContact CG2-CG1 4.32Å; F131-I174 HydrophobicContact CB-CD1 4.33Å; L135-I174 HydrophobicContact CD1-CG2 3.84Å; L135-I174 HydrophobicContact CD2-CG2 3.85Å; L135-I174 HydrophobicContact CG-CG2 4.3Å; V145-I174 HydrophobicContact CB-CG2 4.03Å; V145-I174 HydrophobicContact CG1-CG2 4.32Å; A147-I174 HydrophobicContact CB-CD1 4.1Å; I172-I174 HydrophobicContact CD1-CD1 4.43Å; I172-I174 HydrophobicContact CD1-CG1 3.94Å; I172-I174 HydrophobicContact CG1-CG1 3.95Å; I174-L176 HydrophobicContact CG1-CD2 4.48Å
175	P	98.6	Very high	97.1	Very high	12 Å²	12	51.6 Å²	51.6	8%	0.078	26%	0.262	C	S	.	.			trans	-59.9	136.2	172.1	-25.4	36.4	0	0	0	111.8	A92 I94 L101 V145 V146 A147	A92-P175 HydrophobicContact CB-CB 4.34Å; I94-P175 HydrophobicContact CD1-CB 4.12Å; I94-P175 HydrophobicContact CD1-CG 4.04Å; I94-P175 HydrophobicContact CG1-CB 3.83Å; I94-P175 HydrophobicContact CG1-CG 4.02Å; L101-P175 HydrophobicContact CD2-CB 3.88Å; L101-P175 HydrophobicContact CD2-CG 4.29Å; V145-P175 WeakPolarHBondContact O-CD 3.21Å; V146-P175 HydrophobicContact CG1-CB 4.46Å; V146-P175 HydrophobicContact CG2-CB 4.37Å; V146-P175 HydrophobicContact CG2-CG 4.25Å; A147-P175 PolarHBondContact N-O 3.34Å; A147-P175 VanDerWaalsContact N-O 3.08Å
176	L	98.8	Very high	97.2	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	105.6	167.4	-55.6	-172.4	0	0	0	108.9	A92 V93 I128 A147 H156 I160 L169 I174	A92-L176 CarbonylContact C-O 3.34Å; A92-L176 WeakPolarHBondContact CA-O 3.26Å; A92-L176 WeakPolarHBondContact CB-O 3.33Å; V93-L176 PolarHBondContact N-O 2.87Å; V93-L176 PolarHBondContact O-N 3.07Å; I128-L176 HydrophobicContact CG2-CD2 3.88Å; A147-L176 HydrophobicContact CB-CD2 3.76Å; H156-L176 HydrophobicContact CB-CB 4.22Å; H156-L176 HydrophobicContact CB-CD1 4.12Å; H156-L176 PolarHBondContact CD2-O 2.81Å; I160-L176 HydrophobicContact CD1-CD1 3.76Å; I160-L176 HydrophobicContact CD1-CG 4.36Å; I160-L176 HydrophobicContact CG1-CD1 3.92Å; L169-L176 HydrophobicContact CD1-CD1 3.58Å; I174-L176 HydrophobicContact CG1-CD2 4.48Å
177	L	98.9	Very high	97.3	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	132.3	-179.6	-176.5	69.2	0	0	0	110.7	W88 A92 F113 V146 A147 C148 S149 H156 I184	W88-L177 HydrophobicContact CD2-CD2 4.1Å; W88-L177 HydrophobicContact CE3-CD2 3.63Å; W88-L177 HydrophobicContact CH2-CD2 4.46Å; W88-L177 HydrophobicContact CZ3-CD1 4.37Å; W88-L177 HydrophobicContact CZ3-CD2 3.83Å; A92-L177 HydrophobicContact CB-CB 4.43Å; A92-L177 HydrophobicContact CB-CD1 4.1Å; F113-L177 HydrophobicContact CE2-CD2 4Å; F113-L177 HydrophobicContact CZ-CD2 4.23Å; V146-L177 HydrophobicContact CG1-CB 4.23Å; A147-L177 PolarHBondContact O-N 3.32Å; C148-L177 WeakPolarHBondContact CA-O 3.12Å; C148-L177 HydrophobicContact CB-CB 4.18Å; C148-L177 HydrophobicContact CB-CD2 4.46Å; S149-L177 PolarHBondContact N-O 3.46Å; H156-L177 PolarHBondContact NE2-O 3.27Å; L177-I184 HydrophobicContact CD2-CD1 4.04Å
178	S	98.9	Very high	97.5	Very high	10 Å²	10	35.8 Å²	35.8	7%	0.07	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	127.7	176.4	179.1	0	0	0	0	111.4	T91 D151 S152 Q153	T91-S178 WeakPolarHBondContact O-CB 3.5Å; T91-S178 PolarHBondContact O-N 2.96Å; D151-S178 VanDerWaalsContact O-CB 3.28Å; D151-S178 WeakPolarHBondContact O-CB 3.49Å; D151-S178 PolarHBondContact O-OG 2.84Å; S152-S178 WeakPolarHBondContact CA-OG 3.43Å; Q153-S178 PolarHBondContact N-OG 3.18Å
179	D	98.9	Very high	97.5	Very high	2 Å²	2	36 Å²	36	1%	0.011	19%	0.19	C	C	.	.			trans	-117.8	55.2	174.5	-177.1	33.6	0	0	0	111.7	S149 T181 H182 Q183 I184 S185	S149-D179 WeakPolarHBondContact O-CB 3.38Å; S149-D179 PolarHBondContact O-N 2.88Å; D179-T181 PolarHBondContact O-N 3.11Å; D179-H182 PolarHBondContact O-CD2 3.07Å; D179-H182 PolarHBondContact O-N 3.15Å; D179-H182 PolarHBondContact OD1-N 3.27Å; D179-H182 VanDerWaalsContact OD2-C 3.29Å; D179-H182 VanDerWaalsContact OD2-CA 3.27Å; D179-H182 WeakPolarHBondContact OD2-CA 3.4Å; D179-Q183 PolarHBondContact OD1-N 2.65Å; D179-I184 HydrophobicContact CB-CB 4.21Å; D179-I184 HydrophobicContact CB-CD1 4.14Å; D179-I184 HydrophobicContact CB-CG1 4.46Å; D179-I184 WeakPolarHBondContact OD1-CG1 3.4Å; D179-I184 PolarHBondContact OD1-N 3.42Å; D179-I184 VanDerWaalsContact OD1-N 3.1Å; D179-I184 PolarHBondContact OD2-N 3.44Å; D179-S185 VanDerWaalsContact OD2-CB 3.22Å; D179-S185 WeakPolarHBondContact OD2-CB 3.2Å; D179-S185 PolarHBondContact OD2-N 2.77Å; D179-S185 PolarHBondContact OD2-OG 2.8Å
180	L	98.4	Very high	97.6	Very high	99 Å²	99	36 Å²	36	52%	0.518	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-25.1	179.8	-81	169.6	0	0	0	114.6	H182	L180-H182 PolarHBondContact O-CD2 3.16Å
181	T	98.3	Very high	97.7	Very high	112 Å²	112	37.3 Å²	37.3	69%	0.687	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-9	-179.4	68.1	0	0	0	0	113.2	D179 Q183	D179-T181 PolarHBondContact O-N 3.11Å; T181-Q183 PolarHBondContact O-N 3.25Å; T181-Q183 VanDerWaalsContact O-N 3.07Å; T181-Q183 WeakPolarHBondContact OG1-CB 3.44Å; T181-Q183 PolarHBondContact OG1-N 3.04Å
182	H	98.7	Very high	98	Very high	48 Å²	48	34.2 Å²	34.2	22%	0.222	17%	0.17	C	C	.	.	S	Bend	trans	63.1	4.8	-174.5	-42.5	165	0	0	0	113.7	D179 L180 I184 S185 K186 Y191	D179-H182 PolarHBondContact O-CD2 3.07Å; D179-H182 PolarHBondContact O-N 3.15Å; D179-H182 PolarHBondContact OD1-N 3.27Å; D179-H182 VanDerWaalsContact OD2-C 3.29Å; D179-H182 VanDerWaalsContact OD2-CA 3.27Å; D179-H182 WeakPolarHBondContact OD2-CA 3.4Å; L180-H182 PolarHBondContact O-CD2 3.16Å; H182-I184 VanDerWaalsContact C-N 3.35Å; H182-I184 PolarHBondContact O-N 3.1Å; H182-S185 PolarHBondContact O-N 2.81Å; H182-K186 WeakPolarHBondContact O-CB 3.48Å; H182-K186 VanDerWaalsContact O-CG 3.24Å; H182-K186 WeakPolarHBondContact O-CG 3.39Å; H182-K186 PolarHBondContact O-N 2.93Å; H182-Y191 HydrophobicContact CB-CD2 3.93Å; H182-Y191 HydrophobicContact CB-CE2 3.72Å; H182-Y191 AromaticContact CE1-CE2 3.89Å; H182-Y191 AromaticContact CE1-CZ 3.98Å; H182-Y191 PolarHBondContact CE1-OH 2.83Å; H182-Y191 AromaticContact CG-CE2 3.49Å; H182-Y191 VanDerWaalsContact CG-CE2 3.49Å; H182-Y191 AromaticContact CG-CZ 3.93Å; H182-Y191 AromaticContact ND1-CE2 3.27Å; H182-Y191 VanDerWaalsContact ND1-CE2 3.27Å; H182-Y191 WeakPolarHBondContact ND1-CE2 3.42Å; H182-Y191 AromaticContact ND1-CZ 3.28Å; H182-Y191 VanDerWaalsContact ND1-CZ 3.28Å; H182-Y191 PolarHBondContact ND1-OH 3.47Å
183	Q	98.7	Very high	98.1	Very high	98 Å²	98	39.1 Å²	39.1	46%	0.458	19%	0.192	S	C	.	.	H	α-helix	trans	-67	-39.6	-174.8	-174.8	62.4	63.5	0	0	110.9	D179 T181 K186 D187	D179-Q183 PolarHBondContact OD1-N 2.65Å; T181-Q183 PolarHBondContact O-N 3.25Å; T181-Q183 VanDerWaalsContact O-N 3.07Å; T181-Q183 WeakPolarHBondContact OG1-CB 3.44Å; T181-Q183 PolarHBondContact OG1-N 3.04Å; Q183-K186 PolarHBondContact O-N 2.78Å; Q183-D187 PolarHBondContact NE2-OD1 3.46Å; Q183-D187 VanDerWaalsContact O-CB 3.3Å; Q183-D187 WeakPolarHBondContact O-CB 3.47Å; Q183-D187 VanDerWaalsContact O-CG 3.24Å; Q183-D187 PolarHBondContact O-N 3.09Å
184	I	98.8	Very high	98.3	Very high	14 Å²	14	42.3 Å²	42.3	7%	0.072	22%	0.217	C	C	.	.	H	α-helix	trans	-68.1	-45.3	179.9	-53.8	170.7	0	0	0	109	W88 F113 F115 L177 D179 H182 K186 D187 Y188	W88-I184 HydrophobicContact CB-CB 4.48Å; W88-I184 HydrophobicContact CB-CD1 4.06Å; W88-I184 HydrophobicContact CB-CG1 3.96Å; W88-I184 HydrophobicContact CB-CG2 3.77Å; W88-I184 HydrophobicContact CG-CG2 4.24Å; F113-I184 HydrophobicContact CE1-CG2 4.25Å; F113-I184 HydrophobicContact CZ-CG2 3.96Å; F115-I184 HydrophobicContact CE1-CG2 4.04Å; F115-I184 HydrophobicContact CZ-CG2 3.89Å; L177-I184 HydrophobicContact CD2-CD1 4.04Å; D179-I184 HydrophobicContact CB-CB 4.21Å; D179-I184 HydrophobicContact CB-CD1 4.14Å; D179-I184 HydrophobicContact CB-CG1 4.46Å; D179-I184 WeakPolarHBondContact OD1-CG1 3.4Å; D179-I184 PolarHBondContact OD1-N 3.42Å; D179-I184 VanDerWaalsContact OD1-N 3.1Å; D179-I184 PolarHBondContact OD2-N 3.44Å; H182-I184 VanDerWaalsContact C-N 3.35Å; H182-I184 PolarHBondContact O-N 3.1Å; I184-K186 VanDerWaalsContact C-N 3.34Å; I184-K186 PolarHBondContact O-N 3.45Å; I184-D187 PolarHBondContact O-N 3.24Å; I184-Y188 HydrophobicContact CG2-CD2 4.15Å; I184-Y188 HydrophobicContact CG2-CE2 4.32Å; I184-Y188 VanDerWaalsContact O-CD2 3.3Å; I184-Y188 WeakPolarHBondContact O-CD2 3.4Å; I184-Y188 PolarHBondContact O-N 3.43Å
185	S	98.8	Very high	98.3	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-61.3	-40.2	177.9	-59	0	0	0	0	112.5	D179 H182 G189 V190 Y191 T198	D179-S185 VanDerWaalsContact OD2-CB 3.22Å; D179-S185 WeakPolarHBondContact OD2-CB 3.2Å; D179-S185 PolarHBondContact OD2-N 2.77Å; D179-S185 PolarHBondContact OD2-OG 2.8Å; H182-S185 PolarHBondContact O-N 2.81Å; S185-G189 PolarHBondContact O-N 3.31Å; S185-G189 VanDerWaalsContact O-N 3.08Å; S185-V190 WeakPolarHBondContact O-CG2 3.45Å; S185-V190 PolarHBondContact O-N 3.4Å; S185-Y191 PolarHBondContact O-N 3.07Å; S185-T198 WeakPolarHBondContact OG-CG2 3.31Å
186	K	98.6	Very high	98.2	Very high	81 Å²	81	46.1 Å²	46.1	35%	0.352	25%	0.249	S	C	.	.	H	α-helix	trans	-69.6	-42.3	175.4	-74.2	179.3	179.5	-149.5	0	112.1	H182 Q183 I184 Y188 G189 Y191 E193	H182-K186 WeakPolarHBondContact O-CB 3.48Å; H182-K186 VanDerWaalsContact O-CG 3.24Å; H182-K186 WeakPolarHBondContact O-CG 3.39Å; H182-K186 PolarHBondContact O-N 2.93Å; Q183-K186 PolarHBondContact O-N 2.78Å; I184-K186 VanDerWaalsContact C-N 3.34Å; I184-K186 PolarHBondContact O-N 3.45Å; K186-Y188 VanDerWaalsContact C-N 3.26Å; K186-Y188 PolarHBondContact O-N 2.88Å; K186-G189 PolarHBondContact O-N 3.4Å; K186-Y191 HydrophobicContact CD-CD1 4.42Å; K186-Y191 VanDerWaalsContact CE-CE1 3.49Å; K186-Y191 HydrophobicContact CG-CD1 4.03Å; K186-Y191 HydrophobicContact CG-CG 4.07Å; K186-E193 WeakPolarHBondContact CE-OE1 3.32Å; K186-E193 IonicContact NZ-OE1 3.11Å; K186-E193 PolarHBondContact NZ-OE1 2.74Å; K186-E193 IonicContact NZ-OE2 3.08Å; K186-E193 PolarHBondContact NZ-OE2 3.35Å; K186-E193 VanDerWaalsContact NZ-OE2 3.11Å
187	D	98.8	Very high	98.2	Very high	21 Å²	21	47.3 Å²	47.3	11%	0.112	25%	0.254	C	S	.	.	H	α-helix	trans	-62.1	-36	177.7	-81	4.3	0	0	0	112.3	S77 K78 A79 P86 Q183 I184	S77-D187 PolarHBondContact OG-O 3.16Å; K78-D187 WeakPolarHBondContact CB-O 3.41Å; K78-D187 HydrophobicContact CD-CB 4.12Å; K78-D187 WeakPolarHBondContact CE-OD1 3.5Å; K78-D187 PolarHBondContact N-O 3.11Å; K78-D187 IonicContact NZ-OD1 2.89Å; K78-D187 PolarHBondContact NZ-OD1 2.99Å; K78-D187 IonicContact NZ-OD2 2.75Å; K78-D187 PolarHBondContact NZ-OD2 2.89Å; A79-D187 PolarHBondContact N-O 3.34Å; P86-D187 HydrophobicContact CB-CB 4.21Å; Q183-D187 PolarHBondContact NE2-OD1 3.46Å; Q183-D187 VanDerWaalsContact O-CB 3.3Å; Q183-D187 WeakPolarHBondContact O-CB 3.47Å; Q183-D187 VanDerWaalsContact O-CG 3.24Å; Q183-D187 PolarHBondContact O-N 3.09Å; I184-D187 PolarHBondContact O-N 3.24Å
188	Y	98.8	Very high	98.2	Very high	4 Å²	4	47.3 Å²	47.3	2%	0.016	25%	0.254	C	S	.	.	H	α-helix	trans	-83.5	-9	175	-80.9	-103.7	0	0	0	113.7	S77 P86 W88 F113 F115 I184 K186 F203	S77-Y188 VanDerWaalsContact OG-C 3.26Å; S77-Y188 PolarHBondContact OG-O 2.85Å; P86-Y188 HydrophobicContact CB-CD2 4.17Å; P86-Y188 HydrophobicContact CB-CE2 3.75Å; P86-Y188 HydrophobicContact CG-CD2 4.36Å; P86-Y188 HydrophobicContact CG-CE2 4.15Å; P86-Y188 WeakPolarHBondContact O-CE2 3.48Å; P86-Y188 PolarHBondContact O-OH 2.86Å; W88-Y188 AromaticContact CD1-CE2 3.74Å; W88-Y188 AromaticContact CD1-CZ 3.82Å; F113-Y188 HydrophobicContact CD1-CD1 4.18Å; F113-Y188 AromaticContact CD1-CE1 3.63Å; F113-Y188 HydrophobicContact CD1-CE1 3.63Å; F113-Y188 HydrophobicContact CD1-CE2 4.46Å; F113-Y188 AromaticContact CD1-CZ 3.8Å; F113-Y188 HydrophobicContact CE1-CD1 4.15Å; F113-Y188 HydrophobicContact CE1-CD2 4.19Å; F113-Y188 AromaticContact CE1-CE1 3.83Å; F113-Y188 HydrophobicContact CE1-CE1 3.83Å; F113-Y188 AromaticContact CE1-CE2 3.9Å; F113-Y188 HydrophobicContact CE1-CE2 3.9Å; F113-Y188 HydrophobicContact CE1-CG 4.32Å; F113-Y188 AromaticContact CE1-CZ 3.71Å; F115-Y188 AromaticContact CE2-CD1 3.95Å; F115-Y188 HydrophobicContact CE2-CD1 3.95Å; F115-Y188 HydrophobicContact CE2-CD2 4.44Å; F115-Y188 AromaticContact CE2-CG 3.78Å; F115-Y188 HydrophobicContact CE2-CG 3.78Å; F115-Y188 HydrophobicContact CZ-CD1 4.37Å; F115-Y188 HydrophobicContact CZ-CD2 4.05Å; F115-Y188 AromaticContact CZ-CG 3.8Å; F115-Y188 HydrophobicContact CZ-CG 3.8Å; I184-Y188 HydrophobicContact CG2-CD2 4.15Å; I184-Y188 HydrophobicContact CG2-CE2 4.32Å; I184-Y188 VanDerWaalsContact O-CD2 3.3Å; I184-Y188 WeakPolarHBondContact O-CD2 3.4Å; I184-Y188 PolarHBondContact O-N 3.43Å; K186-Y188 VanDerWaalsContact C-N 3.26Å; K186-Y188 PolarHBondContact O-N 2.88Å; Y188-F203 AromaticContact CD1-CD1 3.79Å; Y188-F203 HydrophobicContact CD1-CD1 3.79Å; Y188-F203 AromaticContact CD1-CD2 3.69Å; Y188-F203 HydrophobicContact CD1-CD2 3.69Å; Y188-F203 AromaticContact CD1-CE1 3.76Å; Y188-F203 HydrophobicContact CD1-CE1 3.76Å; Y188-F203 AromaticContact CD1-CE2 3.66Å; Y188-F203 HydrophobicContact CD1-CE2 3.66Å; Y188-F203 AromaticContact CD1-CG 3.78Å; Y188-F203 HydrophobicContact CD1-CG 3.78Å; Y188-F203 AromaticContact CD1-CZ 3.7Å; Y188-F203 HydrophobicContact CD1-CZ 3.7Å; Y188-F203 HydrophobicContact CE1-CB 4.44Å; Y188-F203 HydrophobicContact CE1-CD1 4.18Å; Y188-F203 HydrophobicContact CE1-CD2 4.21Å; Y188-F203 HydrophobicContact CE1-CG 4.01Å; Y188-F203 HydrophobicContact CG-CE2 4.34Å; Y188-F203 HydrophobicContact CG-CZ 4.33Å
189	G	98.4	Very high	98.1	Very high	5 Å²	5	48.4 Å²	48.4	5%	0.052	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.2	31.7	178.1	0	0	0	0	0	113.9	H75 S77 S185 K186	H75-G189 PolarHBondContact CE1-O 2.79Å; H75-G189 PolarHBondContact NE2-O 2.87Å; S77-G189 PolarHBondContact OG-N 3.33Å; S185-G189 PolarHBondContact O-N 3.31Å; S185-G189 VanDerWaalsContact O-N 3.08Å; K186-G189 PolarHBondContact O-N 3.4Å
190	V	98.6	Very high	98.1	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.006	26%	0.26	C	S	.	.			trans	-113.3	-2.8	-178.3	-62.1	0	0	0	0	113.3	F115 S185 T198 L199 F203 L216	F115-V190 HydrophobicContact CB-CG2 4.21Å; F115-V190 HydrophobicContact CD1-CG2 3.88Å; F115-V190 HydrophobicContact CD2-CG1 4.5Å; F115-V190 HydrophobicContact CD2-CG2 3.77Å; F115-V190 HydrophobicContact CE1-CG2 4.08Å; F115-V190 HydrophobicContact CE2-CG2 3.99Å; F115-V190 HydrophobicContact CG-CG2 3.69Å; F115-V190 HydrophobicContact CZ-CG2 4.11Å; S185-V190 WeakPolarHBondContact O-CG2 3.45Å; S185-V190 PolarHBondContact O-N 3.4Å; V190-T198 HydrophobicContact CG2-CG2 4.05Å; V190-T198 CarbonylContact O-C 3.51Å; V190-T198 WeakPolarHBondContact O-CA 3.5Å; V190-T198 WeakPolarHBondContact O-CB 3.4Å; V190-L199 HydrophobicContact CB-CD1 4.04Å; V190-L199 HydrophobicContact CB-CG 4.34Å; V190-L199 HydrophobicContact CG1-CD1 4.06Å; V190-L199 PolarHBondContact O-N 3.36Å; V190-F203 HydrophobicContact CG1-CE2 3.82Å; V190-F203 HydrophobicContact CG1-CZ 3.68Å; V190-L216 HydrophobicContact CG1-CD2 3.91Å
191	Y	98.6	Very high	98.2	Very high	35 Å²	35	44.1 Å²	44.1	14%	0.137	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	131.9	179.3	-173.4	-104.5	0	0	0	111.7	V150 H182 S185 K186 E193 G196	V150-Y191 HydrophobicContact CG1-CE2 4.47Å; H182-Y191 HydrophobicContact CB-CD2 3.93Å; H182-Y191 HydrophobicContact CB-CE2 3.72Å; H182-Y191 AromaticContact CE1-CE2 3.89Å; H182-Y191 AromaticContact CE1-CZ 3.98Å; H182-Y191 PolarHBondContact CE1-OH 2.83Å; H182-Y191 AromaticContact CG-CE2 3.49Å; H182-Y191 VanDerWaalsContact CG-CE2 3.49Å; H182-Y191 AromaticContact CG-CZ 3.93Å; H182-Y191 AromaticContact ND1-CE2 3.27Å; H182-Y191 VanDerWaalsContact ND1-CE2 3.27Å; H182-Y191 WeakPolarHBondContact ND1-CE2 3.42Å; H182-Y191 AromaticContact ND1-CZ 3.28Å; H182-Y191 VanDerWaalsContact ND1-CZ 3.28Å; H182-Y191 PolarHBondContact ND1-OH 3.47Å; S185-Y191 PolarHBondContact O-N 3.07Å; K186-Y191 HydrophobicContact CD-CD1 4.42Å; K186-Y191 VanDerWaalsContact CE-CE1 3.49Å; K186-Y191 HydrophobicContact CG-CD1 4.03Å; K186-Y191 HydrophobicContact CG-CG 4.07Å; Y191-E193 HydrophobicContact CD1-CG 4.12Å; Y191-E193 HydrophobicContact CE1-CB 4.46Å; Y191-E193 HydrophobicContact CE1-CG 4.25Å; Y191-E193 VanDerWaalsContact CE1-OE2 3.28Å; Y191-E193 WeakPolarHBondContact CE1-OE2 3.3Å; Y191-G196 WeakPolarHBondContact OH-CA 3.29Å
192	L	97.6	Very high	98.2	Very high	52 Å²	52	38.8 Å²	38.8	27%	0.272	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	103.2	174	-61.9	174.1	0	0	0	108.7	D194 S195 G196 H197 L199 L219	L192-D194 PolarHBondContact O-N 2.86Å; L192-S195 PolarHBondContact O-N 2.79Å; L192-S195 VanDerWaalsContact O-N 3.07Å; L192-G196 PolarHBondContact O-N 2.81Å; L192-H197 WeakPolarHBondContact CB-O 3.18Å; L192-H197 PolarHBondContact N-O 3.03Å; L192-L199 HydrophobicContact CD1-CB 4.25Å; L192-L199 HydrophobicContact CD2-CB 4.49Å; L192-L199 HydrophobicContact CD2-CD2 4.24Å; L192-L199 HydrophobicContact CG-CB 4.39Å; L192-L219 HydrophobicContact CD1-CD2 4.3Å
193	E	96.6	Very high	98.2	Very high	122 Å²	122	36.6 Å²	36.6	57%	0.57	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-37.4	-175.8	-64.4	-73.3	170.8	0	0	112.5	K186 Y191 S195	K186-E193 WeakPolarHBondContact CE-OE1 3.32Å; K186-E193 IonicContact NZ-OE1 3.11Å; K186-E193 PolarHBondContact NZ-OE1 2.74Å; K186-E193 IonicContact NZ-OE2 3.08Å; K186-E193 PolarHBondContact NZ-OE2 3.35Å; K186-E193 VanDerWaalsContact NZ-OE2 3.11Å; Y191-E193 HydrophobicContact CD1-CG 4.12Å; Y191-E193 HydrophobicContact CE1-CB 4.46Å; Y191-E193 HydrophobicContact CE1-CG 4.25Å; Y191-E193 VanDerWaalsContact CE1-OE2 3.28Å; Y191-E193 WeakPolarHBondContact CE1-OE2 3.3Å; E193-S195 VanDerWaalsContact C-N 3.34Å; E193-S195 PolarHBondContact O-N 2.9Å
194	D	95.9	Very high	98.2	Very high	169 Å²	169	31.9 Å²	31.9	90%	0.904	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-24	-179.5	-61	-27.3	0	0	0	113.8	L192	L192-D194 PolarHBondContact O-N 2.86Å
195	S	95.9	Very high	98.2	Very high	68 Å²	68	31.3 Å²	31.3	48%	0.476	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.9	-14.9	-172.7	-54.7	0	0	0	0	113.8	L192 E193 H197	L192-S195 PolarHBondContact O-N 2.79Å; L192-S195 VanDerWaalsContact O-N 3.07Å; E193-S195 VanDerWaalsContact C-N 3.34Å; E193-S195 PolarHBondContact O-N 2.9Å; S195-H197 VanDerWaalsContact C-N 3.29Å; S195-H197 WeakPolarHBondContact CB-NE2 3.42Å; S195-H197 PolarHBondContact O-CD2 3.28Å; S195-H197 PolarHBondContact O-N 2.92Å
196	G	97.6	Very high	98.2	Very high	28 Å²	28	31.7 Å²	31.7	29%	0.289	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.9	12.4	177.4	0	0	0	0	0	115.1	Y191 L192	Y191-G196 WeakPolarHBondContact OH-CA 3.29Å; L192-G196 PolarHBondContact O-N 2.81Å
197	H	98.5	Very high	98.2	Very high	25 Å²	25	30.5 Å²	30.5	12%	0.116	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	-179.4	-179	66.6	70.8	0	0	0	111	L118 V150 L192 S195	L118-H197 HydrophobicContact CD2-CB 3.98Å; L118-H197 HydrophobicContact CG-CB 4.06Å; V150-H197 HydrophobicContact CG2-CB 3.98Å; L192-H197 WeakPolarHBondContact CB-O 3.18Å; L192-H197 PolarHBondContact N-O 3.03Å; S195-H197 VanDerWaalsContact C-N 3.29Å; S195-H197 WeakPolarHBondContact CB-NE2 3.42Å; S195-H197 PolarHBondContact O-CD2 3.28Å; S195-H197 PolarHBondContact O-N 2.92Å
198	T	98.6	Very high	98.2	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	158	-178.6	78.2	0	0	0	0	113	F115 Y116 P117 V150 S185 V190	F115-T198 HydrophobicContact CB-CG2 4.33Å; F115-T198 HydrophobicContact CD1-CG2 4.02Å; Y116-T198 PolarHBondContact O-OG1 2.97Å; P117-T198 WeakPolarHBondContact CA-O 3.32Å; P117-T198 WeakPolarHBondContact CG-O 3.48Å; V150-T198 HydrophobicContact CG1-CG2 4.28Å; S185-T198 WeakPolarHBondContact OG-CG2 3.31Å; V190-T198 HydrophobicContact CG2-CG2 4.05Å; V190-T198 CarbonylContact O-C 3.51Å; V190-T198 WeakPolarHBondContact O-CA 3.5Å; V190-T198 WeakPolarHBondContact O-CB 3.4Å
199	L	98	Very high	98.2	Very high	33 Å²	33	35.6 Å²	35.6	17%	0.173	19%	0.191	C	C	.	.			trans	-76.7	-177.9	155	59.5	72.9	0	0	0	110.9	V190 L192 G201 L216	V190-L199 HydrophobicContact CB-CD1 4.04Å; V190-L199 HydrophobicContact CB-CG 4.34Å; V190-L199 HydrophobicContact CG1-CD1 4.06Å; V190-L199 PolarHBondContact O-N 3.36Å; L192-L199 HydrophobicContact CD1-CB 4.25Å; L192-L199 HydrophobicContact CD2-CB 4.49Å; L192-L199 HydrophobicContact CD2-CD2 4.24Å; L192-L199 HydrophobicContact CG-CB 4.39Å; L199-G201 PolarHBondContact O-N 2.74Å; L199-G201 VanDerWaalsContact O-N 3.14Å; L199-L216 HydrophobicContact CD1-CB 4.05Å; L199-L216 HydrophobicContact CD1-CD1 4.5Å; L199-L216 HydrophobicContact CD1-CD2 3.92Å; L199-L216 HydrophobicContact CD1-CG 4.36Å
200	R	98.7	Very high	98.2	Very high	10 Å²	10	37.3 Å²	37.3	4%	0.038	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	79.9	-180	-65.2	-176.2	-169.2	-60.6	-23.6	111.3	P117 V123 C124 E127 N217 L219 V221	P117-R200 HydrophobicContact CG-CG 4.3Å; V123-R200 VanDerWaalsContact CG1-CZ 3.49Å; C124-R200 PolarHBondContact SG-NH1 3.03Å; E127-R200 IonicContact OE2-CZ 2.77Å; E127-R200 IonicContact OE2-NH1 2.81Å; E127-R200 PolarHBondContact OE2-NH1 3.38Å; R200-N217 HydrophobicContact CB-CB 3.9Å; R200-N217 PolarHBondContact N-O 3.26Å; R200-N217 PolarHBondContact O-N 2.65Å; R200-L219 VanDerWaalsContact CZ-O 3.28Å; R200-L219 PolarHBondContact NE-O 3.14Å; R200-L219 PolarHBondContact NH2-O 2.91Å; R200-V221 VanDerWaalsContact CD-O 3.32Å; R200-V221 WeakPolarHBondContact CD-O 3.48Å
201	G	98.7	Very high	98.2	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	134.8	177.9	0	0	0	0	0	113.1	F114 F115 L199 T215 R223	F114-G201 CarbonylContact C-O 3.5Å; F114-G201 VanDerWaalsContact CA-O 3.29Å; F114-G201 WeakPolarHBondContact CA-O 3.48Å; F115-G201 PolarHBondContact N-O 2.67Å; L199-G201 PolarHBondContact O-N 2.74Å; L199-G201 VanDerWaalsContact O-N 3.14Å; G201-T215 CarbonylContact C-O 3.57Å; G201-T215 WeakPolarHBondContact CA-O 3.47Å; G201-R223 VanDerWaalsContact C-NH1 3.27Å; G201-R223 PolarHBondContact O-NH1 3.29Å
202	L	98.9	Very high	98.2	Very high	1 Å²	1	38 Å²	38	1%	0.005	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	137.3	173.7	179.5	153.8	0	0	0	109.5	V112 F114 F131 I204 I214 T215 T228	V112-L202 HydrophobicContact CG1-CD1 3.93Å; V112-L202 HydrophobicContact CG1-CD2 4.31Å; V112-L202 HydrophobicContact CG1-CG 4.04Å; F114-L202 HydrophobicContact CB-CB 3.92Å; F114-L202 HydrophobicContact CB-CD1 4.14Å; F114-L202 HydrophobicContact CB-CG 3.96Å; F131-L202 HydrophobicContact CE2-CD1 4.37Å; F131-L202 HydrophobicContact CZ-CD1 3.83Å; L202-I204 HydrophobicContact CD2-CG1 3.94Å; L202-I214 CarbonylContact O-C 3.58Å; L202-I214 WeakPolarHBondContact O-CA 3.32Å; L202-T215 PolarHBondContact N-O 2.84Å; L202-T215 PolarHBondContact O-N 3.3Å; L202-T228 HydrophobicContact CD1-CG2 4.11Å; L202-T228 HydrophobicContact CD2-CG2 4.23Å
203	F	98.9	Very high	98.3	Very high	1 Å²	1	36.9 Å²	36.9	0%	0.004	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	129.9	-175.8	-59.5	-93.1	0	0	0	109.5	A79 F113 F115 Y188 V190 L211 Q213 I214 L216	A79-F203 HydrophobicContact CB-CE1 4.05Å; F113-F203 PolarHBondContact N-O 2.76Å; F113-F203 WeakPolarHBondContact O-CB 3.42Å; F113-F203 PolarHBondContact O-N 3.3Å; F115-F203 HydrophobicContact CD2-CD2 4.13Å; F115-F203 AromaticContact CD2-CE2 3.74Å; F115-F203 HydrophobicContact CD2-CE2 3.74Å; F115-F203 AromaticContact CE2-CD2 3.97Å; F115-F203 HydrophobicContact CE2-CD2 3.97Å; F115-F203 AromaticContact CE2-CE2 3.65Å; F115-F203 HydrophobicContact CE2-CE2 3.65Å; Y188-F203 AromaticContact CD1-CD1 3.79Å; Y188-F203 HydrophobicContact CD1-CD1 3.79Å; Y188-F203 AromaticContact CD1-CD2 3.69Å; Y188-F203 HydrophobicContact CD1-CD2 3.69Å; Y188-F203 AromaticContact CD1-CE1 3.76Å; Y188-F203 HydrophobicContact CD1-CE1 3.76Å; Y188-F203 AromaticContact CD1-CE2 3.66Å; Y188-F203 HydrophobicContact CD1-CE2 3.66Å; Y188-F203 AromaticContact CD1-CG 3.78Å; Y188-F203 HydrophobicContact CD1-CG 3.78Å; Y188-F203 AromaticContact CD1-CZ 3.7Å; Y188-F203 HydrophobicContact CD1-CZ 3.7Å; Y188-F203 HydrophobicContact CE1-CB 4.44Å; Y188-F203 HydrophobicContact CE1-CD1 4.18Å; Y188-F203 HydrophobicContact CE1-CD2 4.21Å; Y188-F203 HydrophobicContact CE1-CG 4.01Å; Y188-F203 HydrophobicContact CG-CE2 4.34Å; Y188-F203 HydrophobicContact CG-CZ 4.33Å; V190-F203 HydrophobicContact CG1-CE2 3.82Å; V190-F203 HydrophobicContact CG1-CZ 3.68Å; F203-L211 HydrophobicContact CB-CD1 3.82Å; F203-L211 HydrophobicContact CD1-CD1 3.81Å; F203-L211 HydrophobicContact CD1-CD2 4.13Å; F203-L211 HydrophobicContact CG-CD1 4.31Å; F203-Q213 WeakPolarHBondContact CA-O 3.14Å; F203-I214 HydrophobicContact CD1-CB 4.42Å; F203-I214 HydrophobicContact CD1-CD1 4.38Å; F203-I214 HydrophobicContact CD1-CG1 3.81Å; F203-I214 HydrophobicContact CD1-CG2 4.2Å; F203-I214 HydrophobicContact CE1-CB 4.34Å; F203-I214 HydrophobicContact CE1-CD1 4.05Å; F203-I214 HydrophobicContact CE1-CG1 3.87Å; F203-I214 HydrophobicContact CE1-CG2 3.71Å; F203-I214 HydrophobicContact CZ-CG2 4.22Å; F203-L216 HydrophobicContact CZ-CD2 4.32Å
204	I	98.9	Very high	98.4	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	119.3	170.7	-55.3	175.8	0	0	0	108	Y110 L202 R212 Q213 T228 L231 V232	Y110-I204 HydrophobicContact CD1-CG2 3.96Å; Y110-I204 HydrophobicContact CE1-CG2 4.24Å; L202-I204 HydrophobicContact CD2-CG1 3.94Å; I204-R212 PolarHBondContact O-N 2.64Å; I204-Q213 HydrophobicContact CB-CB 3.97Å; I204-Q213 HydrophobicContact CD1-CB 4.08Å; I204-Q213 HydrophobicContact CD1-CG 4.35Å; I204-Q213 HydrophobicContact CG1-CB 4.16Å; I204-Q213 PolarHBondContact N-O 2.81Å; I204-Q213 VanDerWaalsContact N-O 3.09Å; I204-Q213 PolarHBondContact O-N 3.38Å; I204-T228 HydrophobicContact CD1-CG2 4.4Å; I204-L231 HydrophobicContact CD1-CB 3.59Å; I204-L231 HydrophobicContact CD1-CD1 4.26Å; I204-V232 HydrophobicContact CD1-CG2 4.13Å; I204-V232 HydrophobicContact CG2-CG2 4.06Å
205	I	98.9	Very high	98.5	Very high	2 Å²	2	27.5 Å²	27.5	1%	0.01	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	131.6	-177.5	-55.7	168	0	0	0	107.6	A85 L103 Y110 L111 F113 I210 L211	A85-I205 HydrophobicContact CB-CD1 3.67Å; A85-I205 HydrophobicContact CB-CG1 3.92Å; A85-I205 HydrophobicContact CB-CG2 4.05Å; L103-I205 HydrophobicContact CD1-CD1 3.92Å; Y110-I205 CarbonylContact C-O 3.48Å; Y110-I205 WeakPolarHBondContact CA-O 3.48Å; L111-I205 HydrophobicContact CB-CB 4.34Å; L111-I205 HydrophobicContact CD2-CD1 4.25Å; L111-I205 PolarHBondContact N-O 3.31Å; L111-I205 PolarHBondContact O-N 3.18Å; F113-I205 HydrophobicContact CB-CD1 4.28Å; I205-I210 WeakPolarHBondContact CA-O 3.49Å; I205-L211 HydrophobicContact CG1-CD1 4.07Å
206	D	98.8	Very high	98.7	Very high	7 Å²	7	28.1 Å²	28.1	4%	0.037	15%	0.146	C	C	.	.			trans	-79.1	175.8	-179.7	71.5	15.6	0	0	0	113.4	Y110 K208 G209 I210 R212	Y110-D206 HydrophobicContact CD1-CB 4.47Å; Y110-D206 HydrophobicContact CD2-CB 4.35Å; Y110-D206 HydrophobicContact CE1-CB 3.88Å; Y110-D206 HydrophobicContact CE2-CB 3.72Å; Y110-D206 VanDerWaalsContact CZ-CB 3.46Å; D206-K208 PolarHBondContact O-N 2.85Å; D206-K208 VanDerWaalsContact O-N 3.09Å; D206-K208 VanDerWaalsContact OD1-C 3.25Å; D206-K208 VanDerWaalsContact OD1-CA 3.31Å; D206-K208 WeakPolarHBondContact OD1-CA 3.35Å; D206-K208 WeakPolarHBondContact OD1-CB 3.32Å; D206-K208 PolarHBondContact OD1-N 2.76Å; D206-G209 PolarHBondContact O-N 3.13Å; D206-G209 PolarHBondContact OD1-N 2.82Å; D206-G209 VanDerWaalsContact OD1-N 3.07Å; D206-I210 PolarHBondContact N-O 3.42Å; D206-I210 WeakPolarHBondContact OD1-CB 3.25Å; D206-I210 PolarHBondContact OD1-N 3.4Å; D206-I210 WeakPolarHBondContact OD2-CB 3.43Å; D206-R212 HydrophobicContact CB-CG 3.86Å; D206-R212 WeakPolarHBondContact OD2-CD 3.43Å; D206-R212 IonicContact OD2-CZ 3.95Å; D206-R212 IonicContact OD2-NE 3.43Å; D206-R212 IonicContact OD2-NH1 3.01Å; D206-R212 PolarHBondContact OD2-NH1 3.16Å
207	D	98.5	Very high	98.7	Very high	56 Å²	56	28.6 Å²	28.6	30%	0.299	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-20.4	178.4	63.1	-58.7	0	0	0	113.9	G108 K109 Y110	G108-D207 PolarHBondContact N-O 3.45Å; K109-D207 WeakPolarHBondContact O-CA 3.4Å; Y110-D207 HydrophobicContact CD2-CB 4.44Å
208	K	98.4	Very high	98.7	Very high	125 Å²	125	32.9 Å²	32.9	54%	0.543	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	9.2	177	-58.8	166.7	-168.2	162	0	112.1	R107 D206 I210	R107-K208 PolarHBondContact NH1-O 3.1Å; D206-K208 PolarHBondContact O-N 2.85Å; D206-K208 VanDerWaalsContact O-N 3.09Å; D206-K208 VanDerWaalsContact OD1-C 3.25Å; D206-K208 VanDerWaalsContact OD1-CA 3.31Å; D206-K208 WeakPolarHBondContact OD1-CA 3.35Å; D206-K208 WeakPolarHBondContact OD1-CB 3.32Å; D206-K208 PolarHBondContact OD1-N 2.76Å; K208-I210 HydrophobicContact CB-CG1 4.16Å; K208-I210 PolarHBondContact O-N 2.86Å
209	G	98.4	Very high	98.5	Very high	7 Å²	7	35.5 Å²	35.5	7%	0.072	18%	0.18	C	C	.	.	S	Bend	trans	68.4	20.6	179.4	0	0	0	0	0	113.5	P84 A85 D206	P84-G209 WeakPolarHBondContact CA-O 3.29Å; A85-G209 PolarHBondContact N-O 3.47Å; D206-G209 PolarHBondContact O-N 3.13Å; D206-G209 PolarHBondContact OD1-N 2.82Å; D206-G209 VanDerWaalsContact OD1-N 3.07Å
210	I	98.9	Very high	98.5	Very high	42 Å²	42	38.4 Å²	38.4	22%	0.215	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-92.3	132.4	177.2	-54	-57.6	0	0	0	109	P84 I205 D206 K208 R212	P84-I210 HydrophobicContact CB-CD1 4.43Å; P84-I210 HydrophobicContact CG-CD1 3.98Å; I205-I210 WeakPolarHBondContact CA-O 3.49Å; D206-I210 PolarHBondContact N-O 3.42Å; D206-I210 WeakPolarHBondContact OD1-CB 3.25Å; D206-I210 PolarHBondContact OD1-N 3.4Å; D206-I210 WeakPolarHBondContact OD2-CB 3.43Å; K208-I210 HydrophobicContact CB-CG1 4.16Å; K208-I210 PolarHBondContact O-N 2.86Å; I210-R212 WeakPolarHBondContact O-CG 3.48Å; I210-R212 PolarHBondContact O-N 3.24Å
211	L	98.9	Very high	98.4	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	121.9	177.4	-178.9	61.3	0	0	0	110.3	A79 I81 S82 K83 A85 F203 I205 Q213 I214	A79-L211 HydrophobicContact CB-CD2 3.85Å; I81-L211 CarbonylContact C-O 3.49Å; I81-L211 WeakPolarHBondContact CA-O 3.4Å; S82-L211 PolarHBondContact N-O 3.16Å; K83-L211 PolarHBondContact O-N 2.87Å; A85-L211 HydrophobicContact CB-CB 4.29Å; F203-L211 HydrophobicContact CB-CD1 3.82Å; F203-L211 HydrophobicContact CD1-CD1 3.81Å; F203-L211 HydrophobicContact CD1-CD2 4.13Å; F203-L211 HydrophobicContact CG-CD1 4.31Å; I205-L211 HydrophobicContact CG1-CD1 4.07Å; L211-Q213 WeakPolarHBondContact CD1-O 3.48Å; L211-I214 HydrophobicContact CD1-CG1 4.44Å; L211-I214 HydrophobicContact CD2-CD1 3.82Å; L211-I214 HydrophobicContact CD2-CG1 3.93Å; L211-I214 HydrophobicContact CG-CG1 4.35Å
212	R	98.8	Very high	98.3	Very high	51 Å²	51	43.7 Å²	43.7	19%	0.192	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	-31.8	-175.4	-52.3	-55.5	-72.9	-88.7	-8	113.1	I204 D206 I210 F235 D239	I204-R212 PolarHBondContact O-N 2.64Å; D206-R212 HydrophobicContact CB-CG 3.86Å; D206-R212 WeakPolarHBondContact OD2-CD 3.43Å; D206-R212 IonicContact OD2-CZ 3.95Å; D206-R212 IonicContact OD2-NE 3.43Å; D206-R212 IonicContact OD2-NH1 3.01Å; D206-R212 PolarHBondContact OD2-NH1 3.16Å; I210-R212 WeakPolarHBondContact O-CG 3.48Å; I210-R212 PolarHBondContact O-N 3.24Å; R212-F235 HydrophobicContact CB-CD1 4.12Å; R212-F235 HydrophobicContact CB-CD2 4.13Å; R212-F235 HydrophobicContact CB-CE1 3.94Å; R212-F235 HydrophobicContact CB-CE2 3.98Å; R212-F235 HydrophobicContact CB-CG 4.21Å; R212-F235 HydrophobicContact CB-CZ 3.86Å; R212-F235 WeakPolarHBondContact O-CZ 3.49Å; R212-D239 IonicContact CZ-OD1 2.71Å; R212-D239 IonicContact CZ-OD2 2.78Å; R212-D239 IonicContact NH1-OD1 2.78Å; R212-D239 PolarHBondContact NH1-OD1 3.49Å; R212-D239 VanDerWaalsContact NH1-OD1 3.08Å; R212-D239 IonicContact NH1-OD2 3.72Å; R212-D239 PolarHBondContact NH1-OD2 3.41Å; R212-D239 IonicContact NH2-OD1 3.72Å; R212-D239 PolarHBondContact NH2-OD1 3.08Å; R212-D239 IonicContact NH2-OD2 3.31Å
213	Q	98.9	Very high	98.2	Very high	27 Å²	27	45.1 Å²	45.1	13%	0.126	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	146.2	-172.2	-163.8	-81.7	-28.8	0	0	111.6	F203 I204 L211 T215 L231 F235	F203-Q213 WeakPolarHBondContact CA-O 3.14Å; I204-Q213 HydrophobicContact CB-CB 3.97Å; I204-Q213 HydrophobicContact CD1-CB 4.08Å; I204-Q213 HydrophobicContact CD1-CG 4.35Å; I204-Q213 HydrophobicContact CG1-CB 4.16Å; I204-Q213 PolarHBondContact N-O 2.81Å; I204-Q213 VanDerWaalsContact N-O 3.09Å; I204-Q213 PolarHBondContact O-N 3.38Å; L211-Q213 WeakPolarHBondContact CD1-O 3.48Å; Q213-T215 PolarHBondContact NE2-OG1 3.23Å; Q213-T215 PolarHBondContact OE1-OG1 2.87Å; Q213-L231 HydrophobicContact CG-CD1 4.14Å; Q213-F235 HydrophobicContact CB-CE2 3.76Å; Q213-F235 HydrophobicContact CB-CZ 4.11Å; Q213-F235 HydrophobicContact CG-CE2 4.26Å
214	I	98.9	Very high	98.2	Very high	53 Å²	53	47.9 Å²	47.9	27%	0.272	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	124.4	175	-53.8	177.9	0	0	0	108.5	I81 L202 F203 L211 L216	I81-I214 HydrophobicContact CD1-CD1 4.34Å; I81-I214 HydrophobicContact CD1-CG1 4.14Å; I81-I214 HydrophobicContact CG1-CD1 3.95Å; I81-I214 HydrophobicContact CG1-CG1 3.94Å; L202-I214 CarbonylContact O-C 3.58Å; L202-I214 WeakPolarHBondContact O-CA 3.32Å; F203-I214 HydrophobicContact CD1-CB 4.42Å; F203-I214 HydrophobicContact CD1-CD1 4.38Å; F203-I214 HydrophobicContact CD1-CG1 3.81Å; F203-I214 HydrophobicContact CD1-CG2 4.2Å; F203-I214 HydrophobicContact CE1-CB 4.34Å; F203-I214 HydrophobicContact CE1-CD1 4.05Å; F203-I214 HydrophobicContact CE1-CG1 3.87Å; F203-I214 HydrophobicContact CE1-CG2 3.71Å; F203-I214 HydrophobicContact CZ-CG2 4.22Å; L211-I214 HydrophobicContact CD1-CG1 4.44Å; L211-I214 HydrophobicContact CD2-CD1 3.82Å; L211-I214 HydrophobicContact CD2-CG1 3.93Å; L211-I214 HydrophobicContact CG-CG1 4.35Å; I214-L216 HydrophobicContact CG2-CD1 4.48Å; I214-L216 HydrophobicContact CG2-CD2 3.66Å; I214-L216 HydrophobicContact CG2-CG 3.84Å
215	T	98.8	Very high	98.2	Very high	41 Å²	41	48.4 Å²	48.4	25%	0.252	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	120.3	168	-59.4	0	0	0	0	108.8	G201 L202 Q213 N217	G201-T215 CarbonylContact C-O 3.57Å; G201-T215 WeakPolarHBondContact CA-O 3.47Å; L202-T215 PolarHBondContact N-O 2.84Å; L202-T215 PolarHBondContact O-N 3.3Å; Q213-T215 PolarHBondContact NE2-OG1 3.23Å; Q213-T215 PolarHBondContact OE1-OG1 2.87Å; T215-N217 WeakPolarHBondContact CG2-OD1 3.32Å
216	L	98.7	Very high	98.2	Very high	82 Å²	82	53 Å²	53	43%	0.429	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	121.9	174.1	-52.5	-174.6	0	0	0	109.1	V190 L199 F203 I214	V190-L216 HydrophobicContact CG1-CD2 3.91Å; L199-L216 HydrophobicContact CD1-CB 4.05Å; L199-L216 HydrophobicContact CD1-CD1 4.5Å; L199-L216 HydrophobicContact CD1-CD2 3.92Å; L199-L216 HydrophobicContact CD1-CG 4.36Å; F203-L216 HydrophobicContact CZ-CD2 4.32Å; I214-L216 HydrophobicContact CG2-CD1 4.48Å; I214-L216 HydrophobicContact CG2-CD2 3.66Å; I214-L216 HydrophobicContact CG2-CG 3.84Å
217	N	98.4	Very high	98.2	Very high	37 Å²	37	56.4 Å²	56.4	20%	0.198	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	148.2	172.4	-74.3	28.2	0	0	0	110.3	R200 T215 V221 G222	R200-N217 HydrophobicContact CB-CB 3.9Å; R200-N217 PolarHBondContact N-O 3.26Å; R200-N217 PolarHBondContact O-N 2.65Å; T215-N217 WeakPolarHBondContact CG2-OD1 3.32Å; N217-V221 WeakPolarHBondContact CB-O 3.43Å; N217-V221 PolarHBondContact ND2-O 2.98Å; N217-V221 VanDerWaalsContact ND2-O 3.09Å; N217-G222 PolarHBondContact ND2-O 3.09Å
218	D	97.6	Very high	98.2	Very high	115 Å²	115	54 Å²	54	62%	0.615	30%	0.296	S	S	*	.			trans	-65.5	162.3	163.4	-170.3	20.6	0	0	0	110.8	V221	D218-V221 PolarHBondContact O-N 2.95Å
219	L	96.4	Very high	98.2	Very high	56 Å²	56	48.8 Å²	48.8	29%	0.293	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-40.2	-171.2	-55	-179	0	0	0	115.6	P117 L192 R200 V221	P117-L219 HydrophobicContact CB-CD2 4.42Å; P117-L219 HydrophobicContact CG-CD2 3.75Å; L192-L219 HydrophobicContact CD1-CD2 4.3Å; R200-L219 VanDerWaalsContact CZ-O 3.28Å; R200-L219 PolarHBondContact NE-O 3.14Å; R200-L219 PolarHBondContact NH2-O 2.91Å; L219-V221 VanDerWaalsContact C-N 3.34Å; L219-V221 PolarHBondContact O-N 3.01Å
220	P	96.3	Very high	98.2	Very high	94 Å²	94	50.3 Å²	50.3	61%	0.61	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-9	-172.3	30.3	-32.9	0	0	0	114.5
221	V	96.8	Very high	98.2	Very high	86 Å²	86	49.5 Å²	49.5	52%	0.521	27%	0.274	S	S	.	.			trans	-115.6	113.5	-172.7	-175.6	0	0	0	0	111.6	R200 N217 D218 L219	R200-V221 VanDerWaalsContact CD-O 3.32Å; R200-V221 WeakPolarHBondContact CD-O 3.48Å; N217-V221 WeakPolarHBondContact CB-O 3.43Å; N217-V221 PolarHBondContact ND2-O 2.98Å; N217-V221 VanDerWaalsContact ND2-O 3.09Å; D218-V221 PolarHBondContact O-N 2.95Å; L219-V221 VanDerWaalsContact C-N 3.34Å; L219-V221 PolarHBondContact O-N 3.01Å
222	G	96.2	Very high	98.2	Very high	35 Å²	35	49.5 Å²	49.5	36%	0.361	27%	0.274	S	S	.	.			trans	-68.9	159.7	175.2	0	0	0	0	0	113.9	N217	N217-G222 PolarHBondContact ND2-O 3.09Å
223	R	98.6	Very high	98.2	Very high	30 Å²	30	49.6 Å²	49.6	11%	0.113	28%	0.276	C	S	.	.			trans	-87.7	166.7	177.7	-69.2	161.4	-71.4	-161.5	-5.3	112.2	F115 E127 G201	F115-R223 VanDerWaalsContact O-CZ 3.31Å; F115-R223 PolarHBondContact O-NH1 3.34Å; F115-R223 PolarHBondContact O-NH2 3.35Å; E127-R223 VanDerWaalsContact CD-NH2 3.32Å; E127-R223 WeakPolarHBondContact OE1-CB 3.38Å; E127-R223 IonicContact OE1-CZ 2.78Å; E127-R223 PolarHBondContact OE1-N 3.01Å; E127-R223 IonicContact OE1-NE 3.35Å; E127-R223 PolarHBondContact OE1-NE 2.99Å; E127-R223 IonicContact OE1-NH2 2.76Å; E127-R223 PolarHBondContact OE1-NH2 3.26Å; E127-R223 IonicContact OE2-CZ 3.78Å; E127-R223 IonicContact OE2-NE 3.47Å; E127-R223 IonicContact OE2-NH2 3.7Å; E127-R223 PolarHBondContact OE2-NH2 3.3Å; G201-R223 VanDerWaalsContact C-NH1 3.27Å; G201-R223 PolarHBondContact O-NH1 3.29Å
224	S	98.5	Very high	98.2	Very high	59 Å²	59	48.8 Å²	48.8	41%	0.413	27%	0.274	S	S	.	.			trans	-108.5	121.4	179	175.2	0	0	0	0	111.7	D226 E227 T228	S224-D226 VanDerWaalsContact C-N 3.31Å; S224-D226 PolarHBondContact OG-N 2.59Å; S224-E227 PolarHBondContact O-N 3.48Å; S224-E227 PolarHBondContact OG-N 3.02Å; S224-T228 PolarHBondContact O-N 3.12Å; S224-T228 PolarHBondContact O-OG1 3.45Å; S224-T228 VanDerWaalsContact O-OG1 3.12Å
225	V	98.6	Very high	98.2	Very high	11 Å²	11	48.4 Å²	48.4	7%	0.067	27%	0.271	C	S	.	.	H	α-helix	trans	-64.6	-36.9	174.4	179.7	0	0	0	0	111.1	A130 F131 R134 F138 E227 T228 L229	A130-V225 HydrophobicContact CB-CG2 3.75Å; F131-V225 HydrophobicContact CD1-CG1 4.19Å; F131-V225 HydrophobicContact CD1-CG2 4.11Å; F131-V225 HydrophobicContact CD2-CG2 4Å; F131-V225 HydrophobicContact CE1-CB 4.41Å; F131-V225 HydrophobicContact CE1-CG1 4.16Å; F131-V225 HydrophobicContact CE1-CG2 4.09Å; F131-V225 HydrophobicContact CE2-CG2 3.97Å; F131-V225 HydrophobicContact CG-CG2 4.07Å; F131-V225 HydrophobicContact CZ-CG2 4.01Å; R134-V225 HydrophobicContact CB-CG1 4.36Å; F138-V225 HydrophobicContact CE2-CG1 3.78Å; F138-V225 HydrophobicContact CZ-CG1 3.9Å; V225-E227 PolarHBondContact O-N 3.46Å; V225-T228 PolarHBondContact O-N 3.01Å; V225-L229 WeakPolarHBondContact O-CB 3.39Å; V225-L229 PolarHBondContact O-N 3.12Å
226	D	98.5	Very high	98.2	Very high	98 Å²	98	48.7 Å²	48.7	52%	0.524	27%	0.27	S	S	.	.	H	α-helix	trans	-63.8	-40.7	180	-65.2	-58.9	0	0	0	112.2	R134 S224 L229 R230	R134-D226 IonicContact CZ-OD1 2.79Å; R134-D226 VanDerWaalsContact CZ-OD1 3.24Å; R134-D226 VanDerWaalsContact NH1-CG 3.27Å; R134-D226 IonicContact NH1-OD1 3.23Å; R134-D226 PolarHBondContact NH1-OD1 3.42Å; R134-D226 IonicContact NH1-OD2 3.94Å; R134-D226 PolarHBondContact NH1-OD2 3.3Å; R134-D226 IonicContact NH2-OD1 3.82Å; R134-D226 PolarHBondContact NH2-OD1 2.85Å; S224-D226 VanDerWaalsContact C-N 3.31Å; S224-D226 PolarHBondContact OG-N 2.59Å; D226-L229 PolarHBondContact O-N 3.49Å; D226-R230 WeakPolarHBondContact O-CB 3.32Å; D226-R230 PolarHBondContact O-N 3.19Å
227	E	98.8	Very high	98.2	Very high	79 Å²	79	47.9 Å²	47.9	37%	0.369	26%	0.261	S	S	.	.	H	α-helix	trans	-70.3	-39.8	177.1	179.4	56.8	-166.1	0	0	111.2	S224 V225 L229 R230 L231	S224-E227 PolarHBondContact O-N 3.48Å; S224-E227 PolarHBondContact OG-N 3.02Å; V225-E227 PolarHBondContact O-N 3.46Å; E227-L229 VanDerWaalsContact C-N 3.34Å; E227-L229 PolarHBondContact O-N 2.76Å; E227-R230 PolarHBondContact O-N 3.45Å; E227-R230 IonicContact OE1-CZ 3.85Å; E227-R230 IonicContact OE1-NE 3.92Å; E227-R230 PolarHBondContact OE1-NE 3.06Å; E227-R230 IonicContact OE1-NH2 3.8Å; E227-R230 PolarHBondContact OE1-NH2 3.35Å; E227-R230 IonicContact OE2-CZ 3.01Å; E227-R230 IonicContact OE2-NE 2.77Å; E227-R230 PolarHBondContact OE2-NE 2.78Å; E227-R230 IonicContact OE2-NH2 2.76Å; E227-L231 HydrophobicContact CG-CD1 4.04Å; E227-L231 HydrophobicContact CG-CG 4.47Å; E227-L231 WeakPolarHBondContact O-CB 3.48Å; E227-L231 VanDerWaalsContact O-CG 3.28Å; E227-L231 WeakPolarHBondContact O-CG 3.36Å; E227-L231 PolarHBondContact O-N 3.44Å
228	T	98.8	Very high	98.2	Very high	6 Å²	6	47.8 Å²	47.8	4%	0.037	26%	0.262	C	S	.	.	H	α-helix	trans	-59.6	-45.6	173.8	-55.3	0	0	0	0	111.3	V112 F131 F138 L202 I204 S224 V225 L231 V232	V112-T228 HydrophobicContact CB-CG2 4.49Å; V112-T228 HydrophobicContact CG1-CG2 3.82Å; V112-T228 HydrophobicContact CG2-CG2 3.77Å; F131-T228 HydrophobicContact CE1-CG2 4.01Å; F131-T228 HydrophobicContact CZ-CG2 4.23Å; F138-T228 HydrophobicContact CE1-CG2 4.07Å; F138-T228 HydrophobicContact CZ-CG2 4.35Å; L202-T228 HydrophobicContact CD1-CG2 4.11Å; L202-T228 HydrophobicContact CD2-CG2 4.23Å; I204-T228 HydrophobicContact CD1-CG2 4.4Å; S224-T228 PolarHBondContact O-N 3.12Å; S224-T228 PolarHBondContact O-OG1 3.45Å; S224-T228 VanDerWaalsContact O-OG1 3.12Å; V225-T228 PolarHBondContact O-N 3.01Å; T228-L231 PolarHBondContact O-N 2.92Å; T228-V232 WeakPolarHBondContact O-CG2 3.39Å; T228-V232 PolarHBondContact O-N 3.43Å
229	L	98.7	Very high	98.2	Very high	16 Å²	16	45.3 Å²	45.3	8%	0.084	25%	0.249	C	C	.	.	H	α-helix	trans	-62.3	-44.2	177.4	-174.9	64.2	0	0	0	111.8	E137 F138 I141 V225 D226 E227 L231 V232 Q233	E137-L229 HydrophobicContact CB-CD1 4.36Å; E137-L229 HydrophobicContact CB-CD2 4.17Å; E137-L229 VanDerWaalsContact OE2-CD2 3.22Å; E137-L229 WeakPolarHBondContact OE2-CD2 3.41Å; F138-L229 HydrophobicContact CD1-CD1 4.13Å; F138-L229 HydrophobicContact CE1-CB 4.23Å; F138-L229 HydrophobicContact CE1-CD1 4.03Å; F138-L229 HydrophobicContact CZ-CB 4.14Å; F138-L229 HydrophobicContact CZ-CD1 4.35Å; I141-L229 HydrophobicContact CD1-CD1 3.78Å; V225-L229 WeakPolarHBondContact O-CB 3.39Å; V225-L229 PolarHBondContact O-N 3.12Å; D226-L229 PolarHBondContact O-N 3.49Å; E227-L229 VanDerWaalsContact C-N 3.34Å; E227-L229 PolarHBondContact O-N 2.76Å; L229-L231 VanDerWaalsContact C-N 3.32Å; L229-L231 PolarHBondContact O-N 3.28Å; L229-V232 PolarHBondContact O-N 3.42Å; L229-Q233 VanDerWaalsContact O-CG 3.29Å; L229-Q233 WeakPolarHBondContact O-CG 3.46Å; L229-Q233 PolarHBondContact O-N 3.15Å
230	R	98.8	Very high	98.2	Very high	38 Å²	38	50.7 Å²	50.7	14%	0.143	27%	0.27	C	S	.	.	H	α-helix	trans	-58.6	-43.5	176.4	-169.8	-163.8	73.1	72.4	4.5	111.7	D226 E227 Q233 A234 W249 K250	D226-R230 WeakPolarHBondContact O-CB 3.32Å; D226-R230 PolarHBondContact O-N 3.19Å; E227-R230 PolarHBondContact O-N 3.45Å; E227-R230 IonicContact OE1-CZ 3.85Å; E227-R230 IonicContact OE1-NE 3.92Å; E227-R230 PolarHBondContact OE1-NE 3.06Å; E227-R230 IonicContact OE1-NH2 3.8Å; E227-R230 PolarHBondContact OE1-NH2 3.35Å; E227-R230 IonicContact OE2-CZ 3.01Å; E227-R230 IonicContact OE2-NE 2.77Å; E227-R230 PolarHBondContact OE2-NE 2.78Å; E227-R230 IonicContact OE2-NH2 2.76Å; R230-Q233 PolarHBondContact O-N 3.43Å; R230-A234 WeakPolarHBondContact O-CB 3.48Å; R230-A234 PolarHBondContact O-N 2.94Å; R230-W249 VanDerWaalsContact CD-O 3.22Å; R230-W249 WeakPolarHBondContact CD-O 3.3Å; R230-W249 VanDerWaalsContact CG-O 3.27Å; R230-W249 WeakPolarHBondContact CG-O 3.42Å; R230-W249 PolarHBondContact NH1-O 3.22Å; R230-K250 HydrophobicContact CG-CG 4.24Å
231	L	98.9	Very high	98.3	Very high	25 Å²	25	50.8 Å²	50.8	13%	0.131	26%	0.262	C	S	.	.	H	α-helix	trans	-65.9	-44.1	179	-72.4	167.2	0	0	0	111.9	I204 Q213 E227 T228 L229 Q233 A234 F235	I204-L231 HydrophobicContact CD1-CB 3.59Å; I204-L231 HydrophobicContact CD1-CD1 4.26Å; Q213-L231 HydrophobicContact CG-CD1 4.14Å; E227-L231 HydrophobicContact CG-CD1 4.04Å; E227-L231 HydrophobicContact CG-CG 4.47Å; E227-L231 WeakPolarHBondContact O-CB 3.48Å; E227-L231 VanDerWaalsContact O-CG 3.28Å; E227-L231 WeakPolarHBondContact O-CG 3.36Å; E227-L231 PolarHBondContact O-N 3.44Å; T228-L231 PolarHBondContact O-N 2.92Å; L229-L231 VanDerWaalsContact C-N 3.32Å; L229-L231 PolarHBondContact O-N 3.28Å; L231-Q233 VanDerWaalsContact C-N 3.35Å; L231-Q233 PolarHBondContact O-N 3.35Å; L231-A234 PolarHBondContact O-N 2.87Å; L231-F235 WeakPolarHBondContact O-CD2 3.24Å; L231-F235 PolarHBondContact O-N 3.11Å
232	V	98.8	Very high	98.2	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-57.9	-48.7	174.8	173.1	0	0	0	0	110.5	Y110 V112 I141 T143 I204 T228 L229 A234 F235 Q236	Y110-V232 HydrophobicContact CD1-CG1 4.3Å; V112-V232 HydrophobicContact CG2-CG2 4.01Å; I141-V232 HydrophobicContact CD1-CB 4.36Å; I141-V232 HydrophobicContact CD1-CG1 3.64Å; I141-V232 HydrophobicContact CG1-CG1 4.42Å; T143-V232 HydrophobicContact CG2-CG1 4.16Å; T143-V232 HydrophobicContact CG2-CG2 4.36Å; T143-V232 WeakPolarHBondContact OG1-CG1 3.38Å; I204-V232 HydrophobicContact CD1-CG2 4.13Å; I204-V232 HydrophobicContact CG2-CG2 4.06Å; T228-V232 WeakPolarHBondContact O-CG2 3.39Å; T228-V232 PolarHBondContact O-N 3.43Å; L229-V232 PolarHBondContact O-N 3.42Å; V232-A234 VanDerWaalsContact C-N 3.32Å; V232-A234 PolarHBondContact O-N 3.43Å; V232-F235 PolarHBondContact O-N 2.66Å; V232-Q236 WeakPolarHBondContact O-CG 3.21Å; V232-Q236 PolarHBondContact O-N 2.91Å
233	Q	98.8	Very high	98.2	Very high	53 Å²	53	50 Å²	50	25%	0.248	26%	0.258	C	S	.	.	H	α-helix	trans	-60.3	-40.4	177.8	-70.5	168.8	-13.3	0	0	112.3	I141 L229 R230 L231 Y237 W249 P251	I141-Q233 HydrophobicContact CD1-CG 3.9Å; L229-Q233 VanDerWaalsContact O-CG 3.29Å; L229-Q233 WeakPolarHBondContact O-CG 3.46Å; L229-Q233 PolarHBondContact O-N 3.15Å; R230-Q233 PolarHBondContact O-N 3.43Å; L231-Q233 VanDerWaalsContact C-N 3.35Å; L231-Q233 PolarHBondContact O-N 3.35Å; Q233-Y237 WeakPolarHBondContact O-CB 3.37Å; Q233-Y237 PolarHBondContact O-N 3.02Å; Q233-W249 HydrophobicContact CB-CZ3 4.26Å; Q233-P251 HydrophobicContact CB-CG 4.32Å; Q233-P251 HydrophobicContact CG-CG 4.47Å; Q233-P251 VanDerWaalsContact OE1-CG 3.22Å
234	A	98.8	Very high	98.1	Very high	10 Å²	10	51.7 Å²	51.7	8%	0.083	27%	0.271	C	S	.	.	H	α-helix	trans	-64.4	-48.6	178.2	0	0	0	0	0	111.4	R230 L231 V232 Q236 Y237 T238 C245 W249	R230-A234 WeakPolarHBondContact O-CB 3.48Å; R230-A234 PolarHBondContact O-N 2.94Å; L231-A234 PolarHBondContact O-N 2.87Å; V232-A234 VanDerWaalsContact C-N 3.32Å; V232-A234 PolarHBondContact O-N 3.43Å; A234-Q236 PolarHBondContact O-N 3.32Å; A234-Y237 WeakPolarHBondContact O-CB 3.33Å; A234-Y237 PolarHBondContact O-N 3.47Å; A234-T238 WeakPolarHBondContact O-CG2 3.3Å; A234-T238 PolarHBondContact O-N 3.32Å; A234-T238 PolarHBondContact O-OG1 2.94Å; A234-C245 HydrophobicContact CB-CB 4.44Å; A234-W249 VanDerWaalsContact CA-CZ3 3.42Å; A234-W249 HydrophobicContact CB-CE3 3.71Å; A234-W249 HydrophobicContact CB-CZ3 3.78Å
235	F	98.8	Very high	98.1	Very high	46 Å²	46	50.5 Å²	50.5	20%	0.202	26%	0.262	C	S	.	.	H	α-helix	trans	-61.3	-45.2	178.4	-75.7	-62.6	0	0	0	111.9	Y110 R212 Q213 L231 V232 Y237 T238 D239	Y110-F235 HydrophobicContact CE1-CB 3.92Å; Y110-F235 WeakPolarHBondContact OH-CB 3.44Å; R212-F235 HydrophobicContact CB-CD1 4.12Å; R212-F235 HydrophobicContact CB-CD2 4.13Å; R212-F235 HydrophobicContact CB-CE1 3.94Å; R212-F235 HydrophobicContact CB-CE2 3.98Å; R212-F235 HydrophobicContact CB-CG 4.21Å; R212-F235 HydrophobicContact CB-CZ 3.86Å; R212-F235 WeakPolarHBondContact O-CZ 3.49Å; Q213-F235 HydrophobicContact CB-CE2 3.76Å; Q213-F235 HydrophobicContact CB-CZ 4.11Å; Q213-F235 HydrophobicContact CG-CE2 4.26Å; L231-F235 WeakPolarHBondContact O-CD2 3.24Å; L231-F235 PolarHBondContact O-N 3.11Å; V232-F235 PolarHBondContact O-N 2.66Å; F235-Y237 VanDerWaalsContact C-N 3.3Å; F235-Y237 PolarHBondContact O-N 2.94Å; F235-T238 PolarHBondContact O-N 3.1Å; F235-T238 PolarHBondContact O-OG1 3.17Å; F235-D239 WeakPolarHBondContact O-CB 3.28Å; F235-D239 PolarHBondContact O-N 2.91Å
236	Q	98.6	Very high	98	Very high	47 Å²	47	51.1 Å²	51.1	22%	0.22	27%	0.266	C	S	.	.	H	α-helix	trans	-60.6	-38.3	176.2	-71	-178.1	-6.7	0	0	112.7	Y110 I141 T143 V232 A234 K240	Y110-Q236 HydrophobicContact CD2-CG 4.1Å; Y110-Q236 HydrophobicContact CE1-CG 4.44Å; Y110-Q236 HydrophobicContact CE2-CG 3.86Å; I141-Q236 PolarHBondContact O-NE2 3.3Å; T143-Q236 PolarHBondContact OG1-NE2 2.96Å; V232-Q236 WeakPolarHBondContact O-CG 3.21Å; V232-Q236 PolarHBondContact O-N 2.91Å; A234-Q236 PolarHBondContact O-N 3.32Å; Q236-K240 WeakPolarHBondContact O-CB 3.44Å; Q236-K240 PolarHBondContact O-N 3.07Å
237	Y	98.5	Very high	98	Very high	64 Å²	64	51.6 Å²	51.6	25%	0.251	28%	0.284	S	S	.	.	H	α-helix	trans	-62	-50.8	174.2	-173.2	-80.9	0	0	0	110.9	Q233 A234 F235 D239 K240 H241 E243 W249 T255	Q233-Y237 WeakPolarHBondContact O-CB 3.37Å; Q233-Y237 PolarHBondContact O-N 3.02Å; A234-Y237 WeakPolarHBondContact O-CB 3.33Å; A234-Y237 PolarHBondContact O-N 3.47Å; F235-Y237 VanDerWaalsContact C-N 3.3Å; F235-Y237 PolarHBondContact O-N 2.94Å; Y237-D239 VanDerWaalsContact C-N 3.33Å; Y237-D239 PolarHBondContact O-N 2.61Å; Y237-K240 PolarHBondContact O-N 3.49Å; Y237-H241 HydrophobicContact CD1-CB 4.27Å; Y237-H241 AromaticContact CD2-CD2 3.67Å; Y237-H241 HydrophobicContact CE1-CB 3.86Å; Y237-H241 AromaticContact CE1-CD2 3.99Å; Y237-H241 AromaticContact CE2-CD2 3.61Å; Y237-H241 AromaticContact CE2-NE2 3.98Å; Y237-H241 AromaticContact CG-CD2 3.92Å; Y237-H241 AromaticContact CZ-CD2 3.77Å; Y237-H241 AromaticContact CZ-CG 3.96Å; Y237-H241 WeakPolarHBondContact O-CB 3.4Å; Y237-H241 PolarHBondContact O-CD2 3.34Å; Y237-H241 PolarHBondContact O-N 2.91Å; Y237-E243 HydrophobicContact CE1-CB 4.36Å; Y237-E243 PolarHBondContact OH-OE2 3.31Å; Y237-W249 HydrophobicContact CD1-CZ2 4.39Å; Y237-W249 HydrophobicContact CD2-CH2 4.21Å; Y237-W249 AromaticContact CD2-CZ2 3.81Å; Y237-W249 HydrophobicContact CD2-CZ2 3.81Å; Y237-W249 HydrophobicContact CE2-CZ2 4.36Å; Y237-W249 HydrophobicContact CG-CH2 4.11Å; Y237-W249 AromaticContact CG-CZ2 3.82Å; Y237-W249 HydrophobicContact CG-CZ2 3.82Å; Y237-T255 HydrophobicContact CD1-CG2 4.27Å; Y237-T255 HydrophobicContact CE1-CG2 3.6Å
238	T	97.9	Very high	97.9	Very high	35 Å²	35	50.7 Å²	50.7	22%	0.215	30%	0.296	C	S	.	.	H	α-helix	trans	-63.1	-37.6	-179.3	61.5	0	0	0	0	112.6	A234 F235 K240 G242 E243 C245	A234-T238 WeakPolarHBondContact O-CG2 3.3Å; A234-T238 PolarHBondContact O-N 3.32Å; A234-T238 PolarHBondContact O-OG1 2.94Å; F235-T238 PolarHBondContact O-N 3.1Å; F235-T238 PolarHBondContact O-OG1 3.17Å; T238-K240 VanDerWaalsContact C-N 3.3Å; T238-K240 PolarHBondContact O-N 2.83Å; T238-G242 PolarHBondContact O-N 3.4Å; T238-E243 WeakPolarHBondContact CG2-O 3.2Å; T238-C245 HydrophobicContact CG2-CB 4.48Å
239	D	97.4	Very high	97.9	Very high	64 Å²	64	50.8 Å²	50.8	34%	0.342	30%	0.295	S	S	.	.	H	α-helix	trans	-66.2	-32.8	178.3	-75.9	-4.7	0	0	0	112	Y110 R212 F235 Y237	Y110-D239 PolarHBondContact OH-OD2 3.03Å; R212-D239 IonicContact CZ-OD1 2.71Å; R212-D239 IonicContact CZ-OD2 2.78Å; R212-D239 IonicContact NH1-OD1 2.78Å; R212-D239 PolarHBondContact NH1-OD1 3.49Å; R212-D239 VanDerWaalsContact NH1-OD1 3.08Å; R212-D239 IonicContact NH1-OD2 3.72Å; R212-D239 PolarHBondContact NH1-OD2 3.41Å; R212-D239 IonicContact NH2-OD1 3.72Å; R212-D239 PolarHBondContact NH2-OD1 3.08Å; R212-D239 IonicContact NH2-OD2 3.31Å; F235-D239 WeakPolarHBondContact O-CB 3.28Å; F235-D239 PolarHBondContact O-N 2.91Å; Y237-D239 VanDerWaalsContact C-N 3.33Å; Y237-D239 PolarHBondContact O-N 2.61Å
240	K	97.7	Very high	97.8	Very high	168 Å²	168	56.4 Å²	56.4	73%	0.73	32%	0.319	S	S	*	.	H	α-helix	trans	-85.1	-39.6	-179.7	-176.8	177.7	176.9	-175.8	0	113.4	Q236 Y237 T238	Q236-K240 WeakPolarHBondContact O-CB 3.44Å; Q236-K240 PolarHBondContact O-N 3.07Å; Y237-K240 PolarHBondContact O-N 3.49Å; T238-K240 VanDerWaalsContact C-N 3.3Å; T238-K240 PolarHBondContact O-N 2.83Å
241	H	97.3	Very high	97.7	Very high	96 Å²	96	58.3 Å²	58.3	44%	0.444	34%	0.337	S	S	.	.	H	α-helix	trans	-104.4	-20.4	-168	-67.8	-76.9	0	0	0	114.2	Y237 E243	Y237-H241 HydrophobicContact CD1-CB 4.27Å; Y237-H241 AromaticContact CD2-CD2 3.67Å; Y237-H241 HydrophobicContact CE1-CB 3.86Å; Y237-H241 AromaticContact CE1-CD2 3.99Å; Y237-H241 AromaticContact CE2-CD2 3.61Å; Y237-H241 AromaticContact CE2-NE2 3.98Å; Y237-H241 AromaticContact CG-CD2 3.92Å; Y237-H241 AromaticContact CZ-CD2 3.77Å; Y237-H241 AromaticContact CZ-CG 3.96Å; Y237-H241 WeakPolarHBondContact O-CB 3.4Å; Y237-H241 PolarHBondContact O-CD2 3.34Å; Y237-H241 PolarHBondContact O-N 2.91Å; H241-E243 PolarHBondContact O-N 2.75Å
242	G	95.4	Very high	97.6	Very high	53 Å²	53	61 Å²	61	55%	0.546	37%	0.371	S	S	.	.			trans	70.5	3.5	-178.1	0	0	0	0	0	114.9	T238 P258	T238-G242 PolarHBondContact O-N 3.4Å; G242-P258 WeakPolarHBondContact O-CD 3.18Å; G242-P258 WeakPolarHBondContact O-CG 3.49Å
243	E	96.1	Very high	97.5	Very high	53 Å²	53	63.6 Å²	63.6	25%	0.248	39%	0.389	C	S	.	.			trans	-84.8	167.5	166.6	-64.6	178.6	162	0	0	110.6	Y237 T238 H241 T255 I257	Y237-E243 HydrophobicContact CE1-CB 4.36Å; Y237-E243 PolarHBondContact OH-OE2 3.31Å; T238-E243 WeakPolarHBondContact CG2-O 3.2Å; H241-E243 PolarHBondContact O-N 2.75Å; E243-T255 VanDerWaalsContact OE2-CB 3.31Å; E243-T255 WeakPolarHBondContact OE2-CB 3.44Å; E243-T255 PolarHBondContact OE2-OG1 3.36Å; E243-I257 HydrophobicContact CG-CG1 4.45Å
244	V	96.9	Very high	97.5	Very high	64 Å²	64	65.7 Å²	65.7	39%	0.388	40%	0.398	S	S	.	.	B	Isolated β-bridge	trans	-111.8	144.8	176.4	-57.3	0	0	0	0	112	I256 P258	V244-I256 HydrophobicContact CG2-CB 3.74Å; V244-I256 HydrophobicContact CG2-CG2 4.43Å; V244-I256 WeakPolarHBondContact CG2-O 3.17Å; V244-I256 PolarHBondContact N-O 3.21Å; V244-I256 PolarHBondContact O-N 3.28Å; V244-P258 HydrophobicContact CG1-CB 4.12Å; V244-P258 HydrophobicContact CG1-CG 4.37Å
245	C	97.9	Very high	97.4	Very high	34 Å²	34	66.3 Å²	66.3	23%	0.23	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-89.4	124.1	-179.1	-64.7	0	0	0	0	111.3	A234 T238 W249	A234-C245 HydrophobicContact CB-CB 4.44Å; T238-C245 HydrophobicContact CG2-CB 4.48Å; C245-W249 HydrophobicContact CB-CB 3.85Å; C245-W249 HydrophobicContact CB-CD2 3.97Å; C245-W249 HydrophobicContact CB-CE3 4.42Å; C245-W249 HydrophobicContact CB-CG 3.71Å
246	P	97.8	Very high	97.4	Very high	24 Å²	24	65.5 Å²	65.5	16%	0.156	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-64.7	173.5	174.1	-22.3	32.9	0	0	0	114.6	G248 W249 E254 I256 Y266	P246-G248 PolarHBondContact O-N 2.97Å; P246-W249 VanDerWaalsContact O-CB 3.22Å; P246-W249 WeakPolarHBondContact O-CB 3.42Å; P246-W249 PolarHBondContact O-N 3.35Å; P246-E254 WeakPolarHBondContact CD-O 3.38Å; P246-E254 WeakPolarHBondContact CG-O 3.3Å; P246-I256 HydrophobicContact CG-CD1 4.02Å; P246-I256 HydrophobicContact CG-CG1 4.02Å; P246-Y266 WeakPolarHBondContact CB-OH 3.27Å; P246-Y266 HydrophobicContact CG-CE2 3.63Å; P246-Y266 WeakPolarHBondContact CG-OH 3.28Å
247	A	97.8	Very high	97.3	Very high	108 Å²	108	66.2 Å²	66.2	89%	0.893	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	132.3	173.1	0	0	0	0	0	111.3	W249	A247-W249 PolarHBondContact O-N 2.94Å
248	G	96	Very high	97.2	Very high	60 Å²	60	67.4 Å²	67.4	62%	0.619	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.9	9	-179.5	0	0	0	0	0	115.2	P246 K250	P246-G248 PolarHBondContact O-N 2.97Å; G248-K250 PolarHBondContact O-N 3.45Å
249	W	98.4	Very high	97.2	Very high	9 Å²	9	69.5 Å²	69.5	3%	0.034	43%	0.429	C	S	.	.			trans	-53.3	136.7	-179.9	179	94.8	0	0	0	112.4	R230 Q233 A234 Y237 C245 P246 A247 P251 S253	R230-W249 VanDerWaalsContact CD-O 3.22Å; R230-W249 WeakPolarHBondContact CD-O 3.3Å; R230-W249 VanDerWaalsContact CG-O 3.27Å; R230-W249 WeakPolarHBondContact CG-O 3.42Å; R230-W249 PolarHBondContact NH1-O 3.22Å; Q233-W249 HydrophobicContact CB-CZ3 4.26Å; A234-W249 VanDerWaalsContact CA-CZ3 3.42Å; A234-W249 HydrophobicContact CB-CE3 3.71Å; A234-W249 HydrophobicContact CB-CZ3 3.78Å; Y237-W249 HydrophobicContact CD1-CZ2 4.39Å; Y237-W249 HydrophobicContact CD2-CH2 4.21Å; Y237-W249 AromaticContact CD2-CZ2 3.81Å; Y237-W249 HydrophobicContact CD2-CZ2 3.81Å; Y237-W249 HydrophobicContact CE2-CZ2 4.36Å; Y237-W249 HydrophobicContact CG-CH2 4.11Å; Y237-W249 AromaticContact CG-CZ2 3.82Å; Y237-W249 HydrophobicContact CG-CZ2 3.82Å; C245-W249 HydrophobicContact CB-CB 3.85Å; C245-W249 HydrophobicContact CB-CD2 3.97Å; C245-W249 HydrophobicContact CB-CE3 4.42Å; C245-W249 HydrophobicContact CB-CG 3.71Å; P246-W249 VanDerWaalsContact O-CB 3.22Å; P246-W249 WeakPolarHBondContact O-CB 3.42Å; P246-W249 PolarHBondContact O-N 3.35Å; A247-W249 PolarHBondContact O-N 2.94Å; W249-P251 HydrophobicContact CH2-CG 4.3Å; W249-P251 HydrophobicContact CZ3-CG 4.44Å; W249-S253 PolarHBondContact NE1-O 3.45Å
250	K	97.8	Very high	97.2	Very high	134 Å²	134	71.3 Å²	71.3	58%	0.583	44%	0.444	S	S	*	.			trans	-130.4	159.9	170.7	-70.1	-174.6	178.1	-175.8	0	109.3	R230 G248 G252 S253	R230-K250 HydrophobicContact CG-CG 4.24Å; G248-K250 PolarHBondContact O-N 3.45Å; K250-G252 PolarHBondContact O-N 3.06Å; K250-S253 PolarHBondContact N-OG 3.07Å; K250-S253 WeakPolarHBondContact O-CB 3.44Å; K250-S253 PolarHBondContact O-N 2.89Å; K250-S253 PolarHBondContact O-OG 3.11Å
251	P	97.3	Very high	97.1	Very high	78 Å²	78	66.5 Å²	66.5	51%	0.506	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.2	129.5	175	-28.8	35.6	0	0	0	112.4	Q233 W249	Q233-P251 HydrophobicContact CB-CG 4.32Å; Q233-P251 HydrophobicContact CG-CG 4.47Å; Q233-P251 VanDerWaalsContact OE1-CG 3.22Å; W249-P251 HydrophobicContact CH2-CG 4.3Å; W249-P251 HydrophobicContact CZ3-CG 4.44Å
252	G	96.3	Very high	97	Very high	82 Å²	82	62.5 Å²	62.5	85%	0.845	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.7	-6.6	-175.6	0	0	0	0	0	115.3	K250	K250-G252 PolarHBondContact O-N 3.06Å
253	S	96.9	Very high	97.1	Very high	54 Å²	54	64.3 Å²	64.3	38%	0.378	41%	0.413	S	S	.	.	S	Bend	trans	-77.4	153.4	172.7	-58.8	0	0	0	0	111.8	W249 K250	W249-S253 PolarHBondContact NE1-O 3.45Å; K250-S253 PolarHBondContact N-OG 3.07Å; K250-S253 WeakPolarHBondContact O-CB 3.44Å; K250-S253 PolarHBondContact O-N 2.89Å; K250-S253 PolarHBondContact O-OG 3.11Å
254	E	97.1	Very high	97.2	Very high	97 Å²	97	66.7 Å²	66.7	45%	0.453	43%	0.427	S	S	.	.			trans	-61.7	151.3	175.8	-57.9	-65.3	141.1	0	0	112.4	P246 Y266 K269	P246-E254 WeakPolarHBondContact CD-O 3.38Å; P246-E254 WeakPolarHBondContact CG-O 3.3Å; E254-Y266 HydrophobicContact CB-CD2 3.93Å; E254-Y266 HydrophobicContact CB-CE2 3.76Å; E254-K269 VanDerWaalsContact CD-CE 3.48Å; E254-K269 HydrophobicContact CG-CD 4.43Å; E254-K269 WeakPolarHBondContact OE1-CE 3.36Å; E254-K269 IonicContact OE1-NZ 2.62Å; E254-K269 PolarHBondContact OE1-NZ 3.47Å; E254-K269 WeakPolarHBondContact OE2-CD 3.39Å; E254-K269 WeakPolarHBondContact OE2-CE 3.24Å; E254-K269 IonicContact OE2-NZ 2.79Å; E254-K269 PolarHBondContact OE2-NZ 3.29Å
255	T	97.9	Very high	97.2	Very high	22 Å²	22	71.1 Å²	71.1	14%	0.135	44%	0.441	C	S	.	.			trans	-129.5	167.2	-175.4	45.8	0	0	0	0	110.9	Y237 E243 Y266	Y237-T255 HydrophobicContact CD1-CG2 4.27Å; Y237-T255 HydrophobicContact CE1-CG2 3.6Å; E243-T255 VanDerWaalsContact OE2-CB 3.31Å; E243-T255 WeakPolarHBondContact OE2-CB 3.44Å; E243-T255 PolarHBondContact OE2-OG1 3.36Å; T255-Y266 VanDerWaalsContact O-CD2 3.25Å; T255-Y266 WeakPolarHBondContact O-CD2 3.39Å
256	I	97.9	Very high	97.1	Very high	29 Å²	29	71.2 Å²	71.2	15%	0.149	44%	0.437	C	S	.	.	B	Isolated β-bridge	trans	-116.2	129.1	-176	-50.5	169.6	0	0	0	109.1	V244 P246 P258 K263 Y266	V244-I256 HydrophobicContact CG2-CB 3.74Å; V244-I256 HydrophobicContact CG2-CG2 4.43Å; V244-I256 WeakPolarHBondContact CG2-O 3.17Å; V244-I256 PolarHBondContact N-O 3.21Å; V244-I256 PolarHBondContact O-N 3.28Å; P246-I256 HydrophobicContact CG-CD1 4.02Å; P246-I256 HydrophobicContact CG-CG1 4.02Å; I256-P258 WeakPolarHBondContact O-CD 3.43Å; I256-K263 HydrophobicContact CG2-CB 3.71Å; I256-Y266 HydrophobicContact CB-CG 4.5Å; I256-Y266 HydrophobicContact CD1-CD1 3.92Å; I256-Y266 HydrophobicContact CD1-CE1 3.9Å; I256-Y266 HydrophobicContact CD1-CG 4.34Å; I256-Y266 HydrophobicContact CG1-CD1 3.63Å; I256-Y266 HydrophobicContact CG1-CD2 3.77Å; I256-Y266 HydrophobicContact CG1-CE1 3.96Å; I256-Y266 HydrophobicContact CG1-CE2 4.07Å; I256-Y266 HydrophobicContact CG1-CG 3.54Å
257	I	97.4	Very high	97	Very high	63 Å²	63	74.5 Å²	74.5	32%	0.323	45%	0.448	S	S	.	.			trans	-72.2	121	167.2	-58.6	171.6	0	0	0	107.5	E243 D259 K263 K265	E243-I257 HydrophobicContact CG-CG1 4.45Å; I257-D259 HydrophobicContact CG2-CB 4.07Å; I257-D259 PolarHBondContact O-N 3.07Å; I257-K263 PolarHBondContact O-N 3.12Å; I257-K265 HydrophobicContact CD1-CD 4.4Å
258	P	96.4	Very high	97	Very high	89 Å²	89	75.5 Å²	75.5	58%	0.578	44%	0.439	S	S	*	.	S	Bend	trans	-78.6	53.6	-175.1	33.7	-37.1	0	0	0	112.3	G242 V244 I256	G242-P258 WeakPolarHBondContact O-CD 3.18Å; G242-P258 WeakPolarHBondContact O-CG 3.49Å; V244-P258 HydrophobicContact CG1-CB 4.12Å; V244-P258 HydrophobicContact CG1-CG 4.37Å; I256-P258 WeakPolarHBondContact O-CD 3.43Å
259	D	97.1	Very high	97	Very high	79 Å²	79	78.9 Å²	78.9	42%	0.422	44%	0.437	S	S	.	.	S	Bend	trans	-130.2	140.1	177.4	172.5	-94.2	0	0	0	109.5	I257 A261 G262 K263	I257-D259 HydrophobicContact CG2-CB 4.07Å; I257-D259 PolarHBondContact O-N 3.07Å; D259-A261 VanDerWaalsContact C-N 3.26Å; D259-A261 PolarHBondContact O-N 3.31Å; D259-A261 WeakPolarHBondContact OD1-CA 3.27Å; D259-A261 WeakPolarHBondContact OD1-CB 3.47Å; D259-A261 PolarHBondContact OD1-N 2.87Å; D259-G262 PolarHBondContact O-N 3.35Å; D259-G262 PolarHBondContact OD1-N 3.14Å; D259-K263 WeakPolarHBondContact O-CB 3.4Å; D259-K263 WeakPolarHBondContact O-CG 3.22Å; D259-K263 PolarHBondContact O-N 2.78Å
260	P	97.1	Very high	96.6	Very high	101 Å²	101	83.8 Å²	83.8	66%	0.656	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-34.1	-177.8	-29	36.7	0	0	0	115.6	K263	P260-K263 WeakPolarHBondContact O-CE 3.35Å; P260-K263 WeakPolarHBondContact O-CG 3.24Å
261	A	96.9	Very high	96.1	Very high	67 Å²	67	85.6 Å²	85.6	55%	0.554	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-42.5	176.1	0	0	0	0	0	111.1	D259 K263 L264	D259-A261 VanDerWaalsContact C-N 3.26Å; D259-A261 PolarHBondContact O-N 3.31Å; D259-A261 WeakPolarHBondContact OD1-CA 3.27Å; D259-A261 WeakPolarHBondContact OD1-CB 3.47Å; D259-A261 PolarHBondContact OD1-N 2.87Å; A261-K263 VanDerWaalsContact C-N 3.3Å; A261-K263 PolarHBondContact O-N 3.33Å; A261-L264 WeakPolarHBondContact O-CB 3.49Å; A261-L264 WeakPolarHBondContact O-CG 3.42Å; A261-L264 PolarHBondContact O-N 2.97Å; A261-L264 VanDerWaalsContact O-N 3.17Å
262	G	95.7	Very high	96	Very high	12 Å²	12	86 Å²	86	12%	0.124	48%	0.478	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-37.5	-179.6	0	0	0	0	0	113.5	D259 L264 K265	D259-G262 PolarHBondContact O-N 3.35Å; D259-G262 PolarHBondContact OD1-N 3.14Å; G262-L264 PolarHBondContact O-N 2.89Å; G262-L264 VanDerWaalsContact O-N 3.16Å; G262-K265 PolarHBondContact O-N 2.96Å
263	K	97.1	Very high	96	Very high	91 Å²	91	86.2 Å²	86.2	40%	0.396	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-25.7	179.3	74.2	-176.2	-176	176.9	0	113.4	I256 I257 D259 P260 A261 K265 Y266 F267	I256-K263 HydrophobicContact CG2-CB 3.71Å; I257-K263 PolarHBondContact O-N 3.12Å; D259-K263 WeakPolarHBondContact O-CB 3.4Å; D259-K263 WeakPolarHBondContact O-CG 3.22Å; D259-K263 PolarHBondContact O-N 2.78Å; P260-K263 WeakPolarHBondContact O-CE 3.35Å; P260-K263 WeakPolarHBondContact O-CG 3.24Å; A261-K263 VanDerWaalsContact C-N 3.3Å; A261-K263 PolarHBondContact O-N 3.33Å; K263-K265 PolarHBondContact O-N 2.73Å; K263-Y266 PolarHBondContact O-N 2.79Å; K263-Y266 VanDerWaalsContact O-N 3.12Å; K263-F267 HydrophobicContact CB-CD2 4.35Å; K263-F267 HydrophobicContact CB-CE2 4.16Å; K263-F267 HydrophobicContact CD-CE2 4.19Å; K263-F267 HydrophobicContact CG-CD2 4.23Å; K263-F267 HydrophobicContact CG-CE2 4.16Å; K263-F267 VanDerWaalsContact O-CD2 3.25Å; K263-F267 WeakPolarHBondContact O-CD2 3.14Å; K263-F267 PolarHBondContact O-N 3.48Å
264	L	97	Very high	96	Very high	104 Å²	104	88 Å²	88	55%	0.545	46%	0.463	S	S	.	.	H	α-helix	trans	-62.1	-28.3	-177.2	-62.2	178.7	0	0	0	112.1	A261 G262 Y266 F267 D268	A261-L264 WeakPolarHBondContact O-CB 3.49Å; A261-L264 WeakPolarHBondContact O-CG 3.42Å; A261-L264 PolarHBondContact O-N 2.97Å; A261-L264 VanDerWaalsContact O-N 3.17Å; G262-L264 PolarHBondContact O-N 2.89Å; G262-L264 VanDerWaalsContact O-N 3.16Å; L264-Y266 VanDerWaalsContact C-N 3.3Å; L264-Y266 PolarHBondContact O-N 2.73Å; L264-F267 PolarHBondContact O-N 3.38Å; L264-D268 VanDerWaalsContact O-CB 3.23Å; L264-D268 WeakPolarHBondContact O-CB 3.16Å; L264-D268 PolarHBondContact O-N 3.32Å
265	K	96.8	Very high	95.9	Very high	156 Å²	156	87.5 Å²	87.5	68%	0.678	46%	0.463	S	S	*	.	H	α-helix	trans	-59	-40.4	175.2	-65.5	-176.8	179.7	179.4	0	112.8	I257 G262 K263 K269	I257-K265 HydrophobicContact CD1-CD 4.4Å; G262-K265 PolarHBondContact O-N 2.96Å; K263-K265 PolarHBondContact O-N 2.73Å; K265-K269 PolarHBondContact O-N 2.76Å
266	Y	96.8	Very high	95.8	Very high	37 Å²	37	91.6 Å²	91.6	15%	0.145	48%	0.484	C	S	.	.	H	α-helix	trans	-70.5	-47.1	177.5	172.6	-90.8	0	0	0	111	P246 E254 T255 I256 K263 L264 D268 K269 L270	P246-Y266 WeakPolarHBondContact CB-OH 3.27Å; P246-Y266 HydrophobicContact CG-CE2 3.63Å; P246-Y266 WeakPolarHBondContact CG-OH 3.28Å; E254-Y266 HydrophobicContact CB-CD2 3.93Å; E254-Y266 HydrophobicContact CB-CE2 3.76Å; T255-Y266 VanDerWaalsContact O-CD2 3.25Å; T255-Y266 WeakPolarHBondContact O-CD2 3.39Å; I256-Y266 HydrophobicContact CB-CG 4.5Å; I256-Y266 HydrophobicContact CD1-CD1 3.92Å; I256-Y266 HydrophobicContact CD1-CE1 3.9Å; I256-Y266 HydrophobicContact CD1-CG 4.34Å; I256-Y266 HydrophobicContact CG1-CD1 3.63Å; I256-Y266 HydrophobicContact CG1-CD2 3.77Å; I256-Y266 HydrophobicContact CG1-CE1 3.96Å; I256-Y266 HydrophobicContact CG1-CE2 4.07Å; I256-Y266 HydrophobicContact CG1-CG 3.54Å; K263-Y266 PolarHBondContact O-N 2.79Å; K263-Y266 VanDerWaalsContact O-N 3.12Å; L264-Y266 VanDerWaalsContact C-N 3.3Å; L264-Y266 PolarHBondContact O-N 2.73Å; Y266-D268 VanDerWaalsContact C-N 3.31Å; Y266-D268 PolarHBondContact O-N 2.73Å; Y266-K269 PolarHBondContact O-N 3.08Å; Y266-L270 HydrophobicContact CE1-CD2 3.77Å; Y266-L270 WeakPolarHBondContact O-CB 3.24Å; Y266-L270 PolarHBondContact O-N 3.17Å; Y266-L270 VanDerWaalsContact O-N 3.13Å
267	F	96.3	Very high	95.6	Very high	92 Å²	92	95.7 Å²	95.7	40%	0.404	51%	0.506	S	S	.	.	H	α-helix	trans	-68	-30.1	-177.7	-70.9	-69.4	0	0	0	113	K263 L264 N271	K263-F267 HydrophobicContact CB-CD2 4.35Å; K263-F267 HydrophobicContact CB-CE2 4.16Å; K263-F267 HydrophobicContact CD-CE2 4.19Å; K263-F267 HydrophobicContact CG-CD2 4.23Å; K263-F267 HydrophobicContact CG-CE2 4.16Å; K263-F267 VanDerWaalsContact O-CD2 3.25Å; K263-F267 WeakPolarHBondContact O-CD2 3.14Å; K263-F267 PolarHBondContact O-N 3.48Å; L264-F267 PolarHBondContact O-N 3.38Å; F267-N271 PolarHBondContact O-N 3.13Å; F267-N271 PolarHBondContact O-ND2 2.93Å
268	D	97.1	Very high	95.5	Very high	130 Å²	130	98.1 Å²	98.1	70%	0.695	52%	0.519	S	S	*	.	H	α-helix	trans	-70.1	-39.6	173.3	-174.1	70.7	0	0	0	111.9	L264 Y266 L270	L264-D268 VanDerWaalsContact O-CB 3.23Å; L264-D268 WeakPolarHBondContact O-CB 3.16Å; L264-D268 PolarHBondContact O-N 3.32Å; Y266-D268 VanDerWaalsContact C-N 3.31Å; Y266-D268 PolarHBondContact O-N 2.73Å; D268-L270 VanDerWaalsContact C-N 3.35Å; D268-L270 PolarHBondContact O-N 3.09Å
269	K	94.9	Very high	95.4	Very high	131 Å²	131	98.8 Å²	98.8	57%	0.57	52%	0.515	S	S	*	.	H	α-helix	trans	-71.8	-28.2	179.1	-176	171.2	176.5	179.4	0	113.7	E254 K265 Y266	E254-K269 VanDerWaalsContact CD-CE 3.48Å; E254-K269 HydrophobicContact CG-CD 4.43Å; E254-K269 WeakPolarHBondContact OE1-CE 3.36Å; E254-K269 IonicContact OE1-NZ 2.62Å; E254-K269 PolarHBondContact OE1-NZ 3.47Å; E254-K269 WeakPolarHBondContact OE2-CD 3.39Å; E254-K269 WeakPolarHBondContact OE2-CE 3.24Å; E254-K269 IonicContact OE2-NZ 2.79Å; E254-K269 PolarHBondContact OE2-NZ 3.29Å; K265-K269 PolarHBondContact O-N 2.76Å; Y266-K269 PolarHBondContact O-N 3.08Å
270	L	91.1	Very high	95.3	Very high	111 Å²	111	100.4 Å²	100.4	58%	0.581	52%	0.523	S	S	*	.	H	α-helix	trans	-85.1	-21.8	-175.3	-173.8	62.3	0	0	0	113.6	Y266 D268	Y266-L270 HydrophobicContact CE1-CD2 3.77Å; Y266-L270 WeakPolarHBondContact O-CB 3.24Å; Y266-L270 PolarHBondContact O-N 3.17Å; Y266-L270 VanDerWaalsContact O-N 3.13Å; D268-L270 VanDerWaalsContact C-N 3.35Å; D268-L270 PolarHBondContact O-N 3.09Å
271	N	87.1	Confident	95.1	Very high	173 Å²	173	100.4 Å²	100.4	93%	0.925	51%	0.51	S	S	*	.			trans	-119.3	0	-174.2	-59.7	-77.8	0	0	0	111.6	F267	F267-N271 PolarHBondContact O-N 3.13Å; F267-N271 PolarHBondContact O-ND2 2.93Å

Retrieved 271 of 271 residues in 215.1 ms (Link to these results)

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