A0A087XAW4_POEFO Loading...

serine C-palmitoyltransferase

AlphaFold DB , UniProt , Accession A0A087XAW4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 564 aa.

Structure Viewer

Loading PAE data...

(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	31.3	Very low	26.6	Very low	242 Å²	242	158.3 Å²	158.3	100%	1.192	88%	0.877	S	S	*	*				0	126.7	0	-61.2	173.6	-177.3	0	0	106.3
2	T	28.2	Very low	27.3	Very low	141 Å²	141	151.8 Å²	151.8	87%	0.865	87%	0.873	S	S	*	*			cis	-120.2	171.6	4.6	40.5	0	0	0	0	111.9
3	E	23.6	Very low	27.3	Very low	186 Å²	186	152.4 Å²	152.4	87%	0.869	87%	0.871	S	S	*	*			trans	-120.7	177.3	179.3	-88.7	-161.9	130.8	0	0	111.9
4	S	24.5	Very low	27.2	Very low	124 Å²	124	147.9 Å²	147.9	87%	0.867	86%	0.862	S	S	*	*			trans	82.6	153.3	173.7	86.5	0	0	0	0	115.5
5	S	25.5	Very low	27.2	Very low	119 Å²	119	146.5 Å²	146.5	83%	0.832	86%	0.862	S	S	*	*			cis	-126.6	164.7	11.1	60.9	0	0	0	0	114.6
6	S	25.5	Very low	27.2	Very low	106 Å²	106	151.6 Å²	151.6	74%	0.741	86%	0.862	S	S	*	*			trans	-106.6	143.5	-167.7	59	0	0	0	0	113.4
7	T	26.3	Very low	27.3	Very low	138 Å²	138	156.2 Å²	156.2	85%	0.847	86%	0.862	S	S	*	*			trans	-122.5	104.3	160	-48.5	0	0	0	0	109.6
8	K	27.1	Very low	27.3	Very low	193 Å²	193	154.1 Å²	154.1	84%	0.839	85%	0.854	S	S	*	*			trans	-87	130.5	166	-80.5	-180	175.7	174.9	0	108.9
9	L	25.6	Very low	27.4	Very low	169 Å²	169	154.8 Å²	154.8	89%	0.885	86%	0.856	S	S	*	*			trans	-120.9	136.6	152.8	-95.5	168.9	0	0	0	108.8
10	L	27.3	Very low	27.7	Very low	155 Å²	155	154.4 Å²	154.4	81%	0.812	85%	0.852	S	S	*	*			trans	-91.8	121.8	178.7	-73.4	150.2	0	0	0	108.7
11	N	27.9	Very low	28.4	Very low	168 Å²	168	150.4 Å²	150.4	90%	0.898	85%	0.846	S	S	*	*				-161.6	152.5	121.2	-96.9	-29.9	0	0	0	110.1
12	G	35.1	Very low	28.4	Very low	80 Å²	80	148.1 Å²	148.1	83%	0.825	83%	0.829	S	S	*	*			trans	-83.9	120.9	-165.2	0	0	0	0	0	113.2
13	D	26.6	Very low	28.4	Very low	160 Å²	160	148.2 Å²	148.2	86%	0.856	83%	0.825	S	S	*	*			trans	-129.4	124.6	138.7	-131	-30.8	0	0	0	108.7	C15	D13-C15 PolarHBondContact O-N 3.03Å
14	A	26.9	Very low	28.9	Very low	89 Å²	89	144.9 Å²	144.9	74%	0.736	83%	0.829	S	S	*	*			trans	-78.3	97.2	-172.4	0	0	0	0	0	109.3	R16	A14-R16 VanDerWaalsContact C-N 3.29Å; A14-R16 PolarHBondContact O-N 2.92Å
15	C	26.6	Very low	29.3	Very low	128 Å²	128	143.4 Å²	143.4	87%	0.865	82%	0.819	S	S	*	*			trans	-59	90.4	176.6	-173.9	0	0	0	0	110.8	D13 R17	D13-C15 PolarHBondContact O-N 3.03Å; C15-R17 PolarHBondContact O-N 3.27Å
16	R	27.3	Very low	29.5	Very low	227 Å²	227	146.8 Å²	146.8	86%	0.857	82%	0.818	S	S	*	*			trans	-64.8	101.9	176	-77.4	-179.1	169.7	178.2	-2.4	108.3	A14 T18	A14-R16 VanDerWaalsContact C-N 3.29Å; A14-R16 PolarHBondContact O-N 2.92Å; R16-T18 PolarHBondContact O-N 2.91Å
17	R	29	Very low	29.7	Very low	231 Å²	231	148.6 Å²	148.6	87%	0.872	82%	0.82	S	S	*	*			trans	-48.6	114.5	156.1	-81.5	-176.2	169.9	-180	-3.4	107.4	C15 L19	C15-R17 PolarHBondContact O-N 3.27Å; R17-L19 PolarHBondContact O-N 3.37Å; R17-L19 VanDerWaalsContact O-N 3.08Å
18	T	26.6	Very low	29.8	Very low	118 Å²	118	146 Å²	146	72%	0.724	82%	0.82	S	S	*	*			trans	-67.2	108	179	34.5	0	0	0	0	109	R16 N20	R16-T18 PolarHBondContact O-N 2.91Å; T18-N20 PolarHBondContact O-N 3.45Å
19	L	29.2	Very low	29.6	Very low	168 Å²	168	146.9 Å²	146.9	88%	0.88	82%	0.82	S	S	*	*			trans	-69.5	80	171.6	-75.3	166.9	0	0	0	109.7	R17	R17-L19 PolarHBondContact O-N 3.37Å; R17-L19 VanDerWaalsContact O-N 3.08Å
20	N	33.6	Very low	29.6	Very low	145 Å²	145	145 Å²	145	78%	0.775	82%	0.815	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.1	148.6	161.5	-70.7	-15.7	0	0	0	109.1	T18	T18-N20 PolarHBondContact O-N 3.45Å
21	G	42.7	Very low	29.6	Very low	71 Å²	71	145.2 Å²	145.2	73%	0.732	81%	0.81	S	S	*	*	T	Hydrogen-bonded Turn	trans	109.9	-8.3	174.7	0	0	0	0	0	116.9
22	K	32.2	Very low	29.4	Very low	194 Å²	194	144.5 Å²	144.5	84%	0.843	81%	0.806	S	S	*	*	S	Bend	trans	-129.3	63.9	177.5	-69.6	-170.9	179.2	178.4	0	115
23	N	26.8	Very low	28.9	Very low	143 Å²	143	146.8 Å²	146.8	77%	0.765	80%	0.795	S	S	*	*			trans	177.7	104.7	143.9	-96.5	-43	0	0	0	111.1	S25	N23-S25 PolarHBondContact O-N 2.73Å
24	A	35.2	Very low	28.6	Very low	117 Å²	117	145.2 Å²	145.2	97%	0.967	80%	0.795	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76	17.3	-177.5	0	0	0	0	0	115.1
25	S	31.4	Very low	28.5	Very low	92 Å²	92	147.6 Å²	147.6	64%	0.643	79%	0.794	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.9	-3.7	-165.1	57.2	0	0	0	0	115.8	N23	N23-S25 PolarHBondContact O-N 2.73Å
26	K	30.2	Very low	28.6	Very low	190 Å²	190	151.1 Å²	151.1	83%	0.826	80%	0.796	S	S	*	*			trans	-137.9	35.3	-174.4	-71.6	-166.1	176.1	-177.6	0	116.2
27	N	29.4	Very low	28.5	Very low	145 Å²	145	149 Å²	149	78%	0.775	80%	0.795	S	S	*	*	S	Bend	trans	-89.1	144.7	154	-80.5	-10.3	0	0	0	109.7	Y29	N27-Y29 PolarHBondContact O-N 3.32Å
28	G	28.9	Very low	28.2	Very low	83 Å²	83	147 Å²	147	86%	0.856	80%	0.796	S	S	*	*			trans	-69.4	81.6	-160.8	0	0	0	0	0	116.3	V30	G28-V30 PolarHBondContact O-N 3.01Å
29	Y	24.1	Very low	28.3	Very low	212 Å²	212	146.9 Å²	146.9	83%	0.831	80%	0.8	S	S	*	*			trans	-68	98.3	168.7	-89.6	-88.8	0	0	0	111.9	N27 K31	N27-Y29 PolarHBondContact O-N 3.32Å; Y29-K31 PolarHBondContact O-N 3.33Å
30	V	24.8	Very low	28.1	Very low	129 Å²	129	147.2 Å²	147.2	78%	0.782	80%	0.797	S	S	*	*			trans	-68.7	105.9	153.7	178.7	0	0	0	0	107.2	G28 N32	G28-V30 PolarHBondContact O-N 3.01Å; V30-N32 PolarHBondContact O-N 3.06Å
31	K	27	Very low	27.6	Very low	160 Å²	160	150.2 Å²	150.2	70%	0.696	80%	0.803	S	S	*	*			trans	-64.8	90.8	-178.5	-83.4	-175	167.4	-174.9	0	112.4	Y29	Y29-K31 PolarHBondContact O-N 3.33Å
32	N	23.3	Very low	26.7	Very low	153 Å²	153	156.4 Å²	156.4	82%	0.818	81%	0.806	S	S	*	*			trans	-99.4	83.2	154.9	-83.6	-8.6	0	0	0	109.2	V30 C34	V30-N32 PolarHBondContact O-N 3.06Å; N32-C34 VanDerWaalsContact C-N 3.33Å; N32-C34 PolarHBondContact O-N 2.69Å
33	H	24.3	Very low	26.3	Very low	127 Å²	127	152.4 Å²	152.4	59%	0.588	80%	0.802	S	S	*	*			trans	-71.6	85.4	170.2	-80.4	-82.9	0	0	0	110.4	L35	H33-L35 HydrophobicContact CB-CG 4.35Å; H33-L35 PolarHBondContact O-N 2.66Å; H33-L35 VanDerWaalsContact O-N 3.1Å
34	C	22.4	Very low	26.5	Very low	128 Å²	128	157.2 Å²	157.2	87%	0.865	81%	0.809	S	S	*	*			trans	-76.1	80.6	150.1	-94.7	0	0	0	0	108	N32 F36	N32-C34 VanDerWaalsContact C-N 3.33Å; N32-C34 PolarHBondContact O-N 2.69Å; C34-F36 PolarHBondContact O-N 3.5Å
35	L	24.5	Very low	25.9	Very low	138 Å²	138	157.2 Å²	157.2	72%	0.723	80%	0.802	S	S	*	*			trans	-64.4	118	170	-82.8	164.2	0	0	0	109	H33	H33-L35 HydrophobicContact CB-CG 4.35Å; H33-L35 PolarHBondContact O-N 2.66Å; H33-L35 VanDerWaalsContact O-N 3.1Å
36	F	27.9	Very low	25.7	Very low	203 Å²	203	156 Å²	156	89%	0.89	81%	0.805	S	S	*	*	S	Bend	trans	-59.5	144.3	154.6	-95.7	-101.5	0	0	0	108.6	C34	C34-F36 PolarHBondContact O-N 3.5Å
37	Q	25.2	Very low	26.1	Very low	182 Å²	182	156.3 Å²	156.3	85%	0.85	81%	0.809	S	S	*	*			trans	66	99	-174.9	-58.4	-176.5	-26.4	0	0	116.3
38	Q	23.2	Very low	26.1	Very low	189 Å²	189	156.7 Å²	156.7	88%	0.883	80%	0.804	S	S	*	*				-125.1	121.5	121	-119.5	-174.1	11.4	0	0	109	Q40	Q38-Q40 PolarHBondContact O-N 2.68Å
39	S	28.4	Very low	26.2	Very low	115 Å²	115	161.2 Å²	161.2	80%	0.804	80%	0.8	S	S	*	*			trans	-84.3	96.8	179.4	37.8	0	0	0	0	110.4
40	Q	24.3	Very low	26.6	Very low	175 Å²	175	158.4 Å²	158.4	82%	0.818	80%	0.795	S	S	*	*			trans	-70.3	131.3	167	-75.9	-168.2	-20.9	0	0	110.3	Q38 Y42	Q38-Q40 PolarHBondContact O-N 2.68Å; Q40-Y42 PolarHBondContact O-N 3.13Å
41	K	23.5	Very low	27	Very low	209 Å²	209	157.7 Å²	157.7	91%	0.909	79%	0.786	S	S	*	*			trans	-66.4	112.4	-177.2	-65.2	174.4	178.6	176.5	0	110.3
42	Y	23.6	Very low	27.5	Very low	201 Å²	201	151.8 Å²	151.8	79%	0.788	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-78.6	121.9	158.7	-92.5	-88.8	0	0	0	109.4	Q40	Q40-Y42 PolarHBondContact O-N 3.13Å
43	S	24.2	Very low	28.2	Very low	109 Å²	109	149.6 Å²	149.6	76%	0.762	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-69.5	148	163.7	45.2	0	0	0	0	109.9
44	R	30.7	Very low	29.1	Very low	244 Å²	244	147.3 Å²	147.3	92%	0.921	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-75.8	124	175	-77.6	178.5	169.1	175.9	-4.4	110.8
45	S	23.3	Very low	30.3	Very low	117 Å²	117	144.8 Å²	144.8	82%	0.818	73%	0.727	S	S	*	*			trans	-141.8	160.8	143.9	54.3	0	0	0	0	108.2
46	G	26.8	Very low	31.5	Very low	68 Å²	68	143.4 Å²	143.4	70%	0.701	73%	0.726	S	S	*	*			trans	-74	173	-166.1	0	0	0	0	0	115.8
47	E	38.8	Very low	33.1	Very low	196 Å²	196	138.2 Å²	138.2	92%	0.916	72%	0.715	S	S	*	*			trans	44.8	99.7	162.5	-57.7	-160.9	139.9	0	0	118.4
48	K	29.8	Very low	34.7	Very low	153 Å²	153	132.5 Å²	132.5	67%	0.665	69%	0.69	S	S	*	*			trans	-112	93.5	154.6	-75.6	-175.7	178.1	176.8	0	111.1	Q50	K48-Q50 PolarHBondContact O-N 2.89Å
49	K	30.5	Very low	37.1	Very low	178 Å²	178	125 Å²	125	77%	0.774	65%	0.654	S	S	*	*			trans	-58.9	124.6	136	-67.7	178.4	179.5	172.6	0	105.9	N51	K49-N51 WeakPolarHBondContact CB-OD1 3.21Å; K49-N51 PolarHBondContact O-N 2.92Å
50	Q	33.2	Very low	38.8	Very low	153 Å²	153	128.1 Å²	128.1	72%	0.715	65%	0.653	S	S	*	*			trans	-75.6	61.8	167.8	-70.9	-158.3	30.2	0	0	110	K48 A52	K48-Q50 PolarHBondContact O-N 2.89Å; Q50-A52 PolarHBondContact O-N 2.8Å
51	N	33.1	Very low	40.8	Very low	113 Å²	113	126.6 Å²	126.6	60%	0.604	64%	0.644	S	S	*	*			trans	-70.4	67.8	160.9	-72.2	20.6	0	0	0	107.7	K49 T53	K49-N51 WeakPolarHBondContact CB-OD1 3.21Å; K49-N51 PolarHBondContact O-N 2.92Å; N51-T53 PolarHBondContact O-N 3.1Å
52	A	37.7	Very low	43.1	Very low	37 Å²	37	121.7 Å²	121.7	31%	0.306	63%	0.633	S	S	.	*			trans	-51.3	131.5	156.3	0	0	0	0	0	106.4	Q50 H54	Q50-A52 PolarHBondContact O-N 2.8Å; A52-H54 PolarHBondContact O-CD2 3.22Å; A52-H54 PolarHBondContact O-N 2.7Å
53	T	36.4	Very low	45.8	Very low	106 Å²	106	112.7 Å²	112.7	65%	0.65	60%	0.598	S	S	*	*			trans	-53.8	94.8	-164.4	48.6	0	0	0	0	112.1	N51 N55	N51-T53 PolarHBondContact O-N 3.1Å; T53-N55 PolarHBondContact O-N 3.37Å
54	H	44.1	Very low	48.6	Very low	79 Å²	79	111.6 Å²	111.6	37%	0.366	58%	0.582	S	S	.	*			trans	-63.4	124.5	173.4	-68.7	-101.2	0	0	0	107	A52 P56 F63	A52-H54 PolarHBondContact O-CD2 3.22Å; A52-H54 PolarHBondContact O-N 2.7Å; H54-P56 WeakPolarHBondContact O-CD 3.32Å; H54-F63 PolarHBondContact CE1-O 2.99Å
55	N	48.3	Very low	51.2	Low	75 Å²	75	102.1 Å²	102.1	40%	0.401	55%	0.548	S	S	.	.			trans	-86.6	102.1	162.9	-174.4	0	0	0	0	106.9	T53 S57 L58	T53-N55 PolarHBondContact O-N 3.37Å; N55-S57 VanDerWaalsContact CG-OG 3.23Å; N55-S57 PolarHBondContact ND2-OG 3.38Å; N55-S57 PolarHBondContact O-N 3.47Å; N55-S57 PolarHBondContact OD1-OG 2.99Å; N55-L58 HydrophobicContact CB-CD1 4Å; N55-L58 HydrophobicContact CB-CG 4.1Å; N55-L58 PolarHBondContact O-N 3.39Å
56	P	49.3	Very low	54.1	Low	109 Å²	109	98.7 Å²	98.7	71%	0.708	52%	0.518	S	S	*	.	G	3₁₀ helix	trans	-64.5	-17.4	-170.4	27.2	-35.8	0	0	0	112.9	H54 L58	H54-P56 WeakPolarHBondContact O-CD 3.32Å; P56-L58 PolarHBondContact O-N 3.26Å
57	S	59.9	Low	57	Low	95 Å²	95	99 Å²	99	66%	0.664	50%	0.5	S	S	*	.	G	3₁₀ helix	trans	-67.9	-14.8	172.9	64	0	0	0	0	114.8	N55	N55-S57 VanDerWaalsContact CG-OG 3.23Å; N55-S57 PolarHBondContact ND2-OG 3.38Å; N55-S57 PolarHBondContact O-N 3.47Å; N55-S57 PolarHBondContact OD1-OG 2.99Å
58	L	60.8	Low	59.3	Low	62 Å²	62	91 Å²	91	33%	0.325	46%	0.463	S	S	.	.	G	3₁₀ helix	trans	-97	-5.7	-175.9	-61.7	-177.1	0	0	0	114.5	N55 P56 P332 E333	N55-L58 HydrophobicContact CB-CD1 4Å; N55-L58 HydrophobicContact CB-CG 4.1Å; N55-L58 PolarHBondContact O-N 3.39Å; P56-L58 PolarHBondContact O-N 3.26Å; L58-P332 HydrophobicContact CB-CB 4.1Å; L58-E333 HydrophobicContact CD1-CG 3.61Å
59	Y	72.7	Confident	62	Low	32 Å²	32	90.5 Å²	90.5	13%	0.125	46%	0.463	C	S	.	.			trans	-135.1	124.5	-171.6	-60.7	-87.5	0	0	0	111.8	K61 F63 P332 E333 F367	Y59-K61 VanDerWaalsContact C-N 3.31Å; Y59-K61 PolarHBondContact O-N 2.96Å; Y59-F63 HydrophobicContact CD1-CB 4.14Å; Y59-F63 HydrophobicContact CE1-CB 4.32Å; Y59-F63 HydrophobicContact CE1-CD2 4.26Å; Y59-F63 HydrophobicContact CE1-CG 4.27Å; Y59-P332 HydrophobicContact CE1-CG 4.06Å; Y59-E333 WeakPolarHBondContact CE2-OE1 3.47Å; Y59-E333 PolarHBondContact OH-OE1 2.88Å; Y59-F367 HydrophobicContact CD1-CD1 4Å; Y59-F367 AromaticContact CD1-CE1 3.68Å; Y59-F367 HydrophobicContact CD1-CE1 3.68Å; Y59-F367 HydrophobicContact CE1-CD1 4.17Å; Y59-F367 AromaticContact CE1-CE1 3.59Å; Y59-F367 HydrophobicContact CE1-CE1 3.59Å; Y59-F367 HydrophobicContact CE1-CZ 4.23Å
60	K	63.8	Low	64.6	Low	179 Å²	179	83.3 Å²	83.3	78%	0.778	43%	0.433	S	S	*	.	S	Bend	trans	-76.8	-14.8	177.8	-63.6	173.2	-175.9	161.2	0	113.9
61	K	67.4	Low	67.3	Low	143 Å²	143	76.4 Å²	76.4	62%	0.622	40%	0.402	S	S	*	.	S	Bend	trans	-136.2	157.8	179.5	-70.8	-174.5	177.7	-177.6	0	110	Y59 F63	Y59-K61 VanDerWaalsContact C-N 3.31Å; Y59-K61 PolarHBondContact O-N 2.96Å; K61-F63 PolarHBondContact O-N 3.02Å
62	P	70.4	Confident	70.1	Confident	106 Å²	106	77.1 Å²	77.1	69%	0.688	41%	0.405	S	S	*	.			trans	-59.5	118.8	170.4	-21.9	33.9	0	0	0	111.4	M64	P62-M64 HydrophobicContact CB-CG 4.07Å; P62-M64 HydrophobicContact CB-SD 4.2Å; P62-M64 PolarHBondContact O-N 3.35Å
63	F	81.6	Confident	72.7	Confident	13 Å²	13	81.2 Å²	81.2	6%	0.057	42%	0.421	C	S	.	.			trans	-83.5	92.5	177.3	-176.3	-97.3	0	0	0	109.9	H54 Y59 K61 E65 I328 R330 F367 N467	H54-F63 PolarHBondContact CE1-O 2.99Å; Y59-F63 HydrophobicContact CD1-CB 4.14Å; Y59-F63 HydrophobicContact CE1-CB 4.32Å; Y59-F63 HydrophobicContact CE1-CD2 4.26Å; Y59-F63 HydrophobicContact CE1-CG 4.27Å; K61-F63 PolarHBondContact O-N 3.02Å; F63-E65 HydrophobicContact CD1-CG 4.25Å; F63-E65 VanDerWaalsContact CE1-CD 3.49Å; F63-E65 HydrophobicContact CE1-CG 3.53Å; F63-E65 HydrophobicContact CZ-CG 3.79Å; F63-I328 HydrophobicContact CE2-CB 3.98Å; F63-I328 HydrophobicContact CE2-CG2 3.96Å; F63-I328 HydrophobicContact CZ-CB 4.2Å; F63-I328 HydrophobicContact CZ-CG2 4.49Å; F63-I328 WeakPolarHBondContact CZ-O 3.26Å; F63-R330 HydrophobicContact CD1-CG 4.29Å; F63-R330 HydrophobicContact CE1-CG 3.59Å; F63-R330 HydrophobicContact CZ-CG 3.81Å; F63-F367 HydrophobicContact CD2-CE1 4.06Å; F63-F367 HydrophobicContact CD2-CZ 4.13Å; F63-F367 HydrophobicContact CE2-CE1 4.31Å; F63-F367 AromaticContact CE2-CZ 3.91Å; F63-F367 HydrophobicContact CE2-CZ 3.91Å; F63-N467 WeakPolarHBondContact CE2-ND2 3.5Å
64	M	81.4	Confident	75.4	Confident	85 Å²	85	76.7 Å²	76.7	42%	0.419	39%	0.394	S	S	.	.			trans	-100.9	108.3	-171.8	-61.2	-59	-66.3	0	0	112	P62 Y66 N467 D468	P62-M64 HydrophobicContact CB-CG 4.07Å; P62-M64 HydrophobicContact CB-SD 4.2Å; P62-M64 PolarHBondContact O-N 3.35Å; M64-Y66 HydrophobicContact CE-CE1 4Å; M64-Y66 WeakPolarHBondContact CE-OH 2.91Å; M64-N467 WeakPolarHBondContact O-CA 3.41Å; M64-D468 PolarHBondContact O-N 3.4Å
65	E	85.1	Confident	77.7	Confident	46 Å²	46	73.6 Å²	73.6	22%	0.215	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	145	170	-58.7	-161.9	126.1	0	0	111.3	F63 F67 N287 S327 I328 G466 N467	F63-E65 HydrophobicContact CD1-CG 4.25Å; F63-E65 VanDerWaalsContact CE1-CD 3.49Å; F63-E65 HydrophobicContact CE1-CG 3.53Å; F63-E65 HydrophobicContact CZ-CG 3.79Å; E65-F67 HydrophobicContact CB-CE2 4.07Å; E65-N287 PolarHBondContact OE2-ND2 2.93Å; E65-N287 VanDerWaalsContact OE2-ND2 3.16Å; E65-S327 WeakPolarHBondContact OE1-CA 3.47Å; E65-S327 WeakPolarHBondContact OE1-CB 3.4Å; E65-I328 PolarHBondContact OE1-N 3.17Å; E65-G466 WeakPolarHBondContact CA-O 3.23Å; E65-N467 HydrophobicContact CG-CB 3.93Å; E65-N467 WeakPolarHBondContact CG-ND2 3.46Å
66	Y	85.4	Confident	79.9	Confident	44 Å²	44	73.4 Å²	73.4	17%	0.173	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	128.1	177.6	-57	-54.9	0	0	0	112.2	M64 Y465 G466 D468	M64-Y66 HydrophobicContact CE-CE1 4Å; M64-Y66 WeakPolarHBondContact CE-OH 2.91Å; Y66-Y465 CarbonylContact O-C 3.54Å; Y66-Y465 VanDerWaalsContact O-CA 3.29Å; Y66-Y465 WeakPolarHBondContact O-CA 3.38Å; Y66-G466 PolarHBondContact N-O 2.95Å; Y66-G466 PolarHBondContact O-N 2.72Å; Y66-D468 VanDerWaalsContact CE2-OD2 3.27Å; Y66-D468 WeakPolarHBondContact CE2-OD2 3.46Å
67	F	87.1	Confident	82.1	Confident	76 Å²	76	71.4 Å²	71.4	33%	0.333	37%	0.366	S	S	.	.			trans	-137.3	79.6	170.6	-63.4	-76.9	0	0	0	107.4	E65 E69 E325 Y465	E65-F67 HydrophobicContact CB-CE2 4.07Å; F67-E69 PolarHBondContact O-N 3.24Å; F67-E325 HydrophobicContact CE1-CB 4.22Å; F67-E325 HydrophobicContact CE1-CG 4.38Å; F67-Y465 HydrophobicContact CD1-CD1 4.23Å; F67-Y465 AromaticContact CD1-CD2 3.83Å; F67-Y465 HydrophobicContact CD1-CD2 3.83Å; F67-Y465 HydrophobicContact CD1-CE2 4.33Å; F67-Y465 AromaticContact CD1-CG 3.78Å; F67-Y465 HydrophobicContact CD1-CG 3.78Å; F67-Y465 HydrophobicContact CE1-CD2 4.21Å; F67-Y465 HydrophobicContact CE1-CG 4.19Å
68	E	87.5	Confident	83.7	Confident	27 Å²	27	66.9 Å²	66.9	13%	0.126	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-70.3	122.6	177.5	-170.2	169.4	150.2	0	0	109.4	T70 I463 Y465 S544 R545 R546	E68-T70 PolarHBondContact O-N 2.99Å; E68-I463 HydrophobicContact CB-CD1 4.47Å; E68-I463 HydrophobicContact CB-CG1 4.45Å; E68-I463 HydrophobicContact CB-CG2 3.98Å; E68-I463 HydrophobicContact CG-CD1 4.24Å; E68-I463 HydrophobicContact CG-CG1 4.47Å; E68-Y465 WeakPolarHBondContact O-CE1 3.44Å; E68-Y465 PolarHBondContact O-OH 2.89Å; E68-S544 WeakPolarHBondContact OE1-CA 3.43Å; E68-S544 PolarHBondContact OE1-OG 2.72Å; E68-S544 PolarHBondContact OE2-OG 3.02Å; E68-R545 PolarHBondContact OE1-N 3.31Å; E68-R546 IonicContact OE2-CZ 2.69Å; E68-R546 IonicContact OE2-NE 3.42Å; E68-R546 PolarHBondContact OE2-NE 3.34Å; E68-R546 IonicContact OE2-NH2 2.76Å
69	E	86.4	Confident	85.4	Confident	143 Å²	143	70.3 Å²	70.3	67%	0.668	34%	0.344	S	S	*	.	P	Polyproline II helix	trans	-60.1	132.6	-175.6	-66.1	-173.1	170.2	0	0	111.2	F67 P71	F67-E69 PolarHBondContact O-N 3.24Å; E69-P71 WeakPolarHBondContact O-CD 3.47Å; E69-P71 VanDerWaalsContact O-N 3.16Å
70	T	85.4	Confident	86.4	Confident	26 Å²	26	73.6 Å²	73.6	16%	0.16	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-51	120	179.1	-55.7	0	0	0	0	110.9	E68 L72 V74 A75 Y478 I508	E68-T70 PolarHBondContact O-N 2.99Å; T70-L72 PolarHBondContact O-N 2.9Å; T70-V74 HydrophobicContact CG2-CB 4.44Å; T70-V74 HydrophobicContact CG2-CG1 4.46Å; T70-A75 HydrophobicContact CG2-CB 3.93Å; T70-Y478 HydrophobicContact CG2-CD1 3.6Å; T70-Y478 HydrophobicContact CG2-CE1 3.48Å; T70-Y478 VanDerWaalsContact CG2-CE1 3.48Å; T70-Y478 HydrophobicContact CG2-CG 4.36Å; T70-Y478 VanDerWaalsContact OG1-CE1 3.26Å; T70-Y478 WeakPolarHBondContact OG1-CE1 3.36Å; T70-I508 PolarHBondContact OG1-O 3.15Å
71	P	90.4	Very high	87.9	Confident	9 Å²	9	65.9 Å²	65.9	6%	0.058	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-54.7	128.9	179.8	-29	36.3	0	0	0	111.3	E69 L73 V74 A75 I463	E69-P71 WeakPolarHBondContact O-CD 3.47Å; E69-P71 VanDerWaalsContact O-N 3.16Å; P71-L73 PolarHBondContact O-N 3.22Å; P71-V74 HydrophobicContact CB-CB 4.34Å; P71-V74 HydrophobicContact CB-CG2 4.02Å; P71-V74 HydrophobicContact CG-CG2 4.46Å; P71-V74 WeakPolarHBondContact O-CA 3.23Å; P71-V74 WeakPolarHBondContact O-CB 3.43Å; P71-V74 PolarHBondContact O-N 2.82Å; P71-A75 PolarHBondContact O-N 3.43Å; P71-I463 HydrophobicContact CG-CD1 4.21Å
72	L	91.3	Very high	89.1	Confident	127 Å²	127	59.9 Å²	59.9	67%	0.665	31%	0.307	S	S	*	.	H	α-helix	trans	-50.3	-41	-170.2	-179.7	61.8	0	0	0	114	T70 A75 V76	T70-L72 PolarHBondContact O-N 2.9Å; L72-A75 PolarHBondContact O-N 3.07Å; L72-V76 HydrophobicContact CD1-CG2 4.45Å; L72-V76 WeakPolarHBondContact O-CG2 3.19Å; L72-V76 PolarHBondContact O-N 3.05Å
73	L	91.8	Very high	90.2	Very high	123 Å²	123	56.5 Å²	56.5	64%	0.644	29%	0.291	S	S	*	.	H	α-helix	trans	-61.7	-42.3	175.4	179	60.9	0	0	0	112.2	P71 V76 L77	P71-L73 PolarHBondContact O-N 3.22Å; L73-V76 PolarHBondContact O-N 2.98Å; L73-L77 HydrophobicContact CD1-CD1 4.08Å; L73-L77 HydrophobicContact CD1-CG 4.19Å; L73-L77 HydrophobicContact CG-CD1 3.96Å; L73-L77 HydrophobicContact CG-CG 4.47Å; L73-L77 WeakPolarHBondContact O-CB 3.13Å; L73-L77 VanDerWaalsContact O-CG 3.25Å; L73-L77 WeakPolarHBondContact O-CG 3.27Å; L73-L77 PolarHBondContact O-N 3.2Å
74	V	92.8	Very high	90.8	Very high	12 Å²	12	60.4 Å²	60.4	7%	0.073	31%	0.311	C	S	.	.	H	α-helix	trans	-68.6	-37.8	178.2	-178.3	0	0	0	0	110.9	T70 P71 T78 Y478 Y543	T70-V74 HydrophobicContact CG2-CB 4.44Å; T70-V74 HydrophobicContact CG2-CG1 4.46Å; P71-V74 HydrophobicContact CB-CB 4.34Å; P71-V74 HydrophobicContact CB-CG2 4.02Å; P71-V74 HydrophobicContact CG-CG2 4.46Å; P71-V74 WeakPolarHBondContact O-CA 3.23Å; P71-V74 WeakPolarHBondContact O-CB 3.43Å; P71-V74 PolarHBondContact O-N 2.82Å; V74-T78 VanDerWaalsContact O-CB 3.25Å; V74-T78 WeakPolarHBondContact O-CB 3.47Å; V74-T78 PolarHBondContact O-N 2.7Å; V74-T78 PolarHBondContact O-OG1 3.07Å; V74-Y478 HydrophobicContact CG1-CD1 4.37Å; V74-Y478 HydrophobicContact CG1-CD2 3.57Å; V74-Y478 HydrophobicContact CG1-CE2 4.33Å; V74-Y478 HydrophobicContact CG1-CG 3.56Å; V74-Y543 HydrophobicContact CG1-CE1 4.18Å; V74-Y543 HydrophobicContact CG2-CD1 3.66Å; V74-Y543 HydrophobicContact CG2-CE1 3.52Å; V74-Y543 HydrophobicContact CG2-CG 4.47Å
75	A	93.1	Very high	91.4	Very high	13 Å²	13	59.7 Å²	59.7	11%	0.107	31%	0.309	C	S	.	.	H	α-helix	trans	-61.7	-48.6	172.4	0	0	0	0	0	111.5	T70 P71 L72 T78 Y79 I508	T70-A75 HydrophobicContact CG2-CB 3.93Å; P71-A75 PolarHBondContact O-N 3.43Å; L72-A75 PolarHBondContact O-N 3.07Å; A75-T78 PolarHBondContact O-N 3.42Å; A75-Y79 VanDerWaalsContact O-CD2 3.24Å; A75-Y79 WeakPolarHBondContact O-CD2 3.41Å; A75-Y79 PolarHBondContact O-N 3.09Å; A75-I508 HydrophobicContact CB-CG2 4.38Å
76	V	94.9	Very high	91.7	Very high	71 Å²	71	59.6 Å²	59.6	43%	0.43	31%	0.311	S	S	.	.	H	α-helix	trans	-60	-49.1	176.6	170.3	0	0	0	0	111.3	L72 L73 T78 Y79 M80	L72-V76 HydrophobicContact CD1-CG2 4.45Å; L72-V76 WeakPolarHBondContact O-CG2 3.19Å; L72-V76 PolarHBondContact O-N 3.05Å; L73-V76 PolarHBondContact O-N 2.98Å; V76-T78 VanDerWaalsContact C-N 3.26Å; V76-T78 PolarHBondContact O-N 3.48Å; V76-Y79 PolarHBondContact O-N 2.99Å; V76-M80 HydrophobicContact CG1-CG 4.4Å; V76-M80 HydrophobicContact CG1-SD 3.91Å; V76-M80 WeakPolarHBondContact O-CB 3.5Å; V76-M80 WeakPolarHBondContact O-CG 3.39Å; V76-M80 PolarHBondContact O-N 3.48Å
77	L	94.7	Very high	92.2	Very high	67 Å²	67	62.2 Å²	62.2	35%	0.351	33%	0.332	S	S	.	.	H	α-helix	trans	-62.7	-31.2	177.5	-71.5	172.8	0	0	0	112.8	L73 G81 M479	L73-L77 HydrophobicContact CD1-CD1 4.08Å; L73-L77 HydrophobicContact CD1-CG 4.19Å; L73-L77 HydrophobicContact CG-CD1 3.96Å; L73-L77 HydrophobicContact CG-CG 4.47Å; L73-L77 WeakPolarHBondContact O-CB 3.13Å; L73-L77 VanDerWaalsContact O-CG 3.25Å; L73-L77 WeakPolarHBondContact O-CG 3.27Å; L73-L77 PolarHBondContact O-N 3.2Å; L77-G81 PolarHBondContact O-N 3.26Å; L77-M479 HydrophobicContact CB-CE 4.07Å; L77-M479 HydrophobicContact CB-SD 4.19Å
78	T	94.3	Very high	92.4	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-71.1	-46.6	175.6	-61.2	0	0	0	0	111.4	V74 A75 V76 G81 Y82 Y478 M479 I507 I508	V74-T78 VanDerWaalsContact O-CB 3.25Å; V74-T78 WeakPolarHBondContact O-CB 3.47Å; V74-T78 PolarHBondContact O-N 2.7Å; V74-T78 PolarHBondContact O-OG1 3.07Å; A75-T78 PolarHBondContact O-N 3.42Å; V76-T78 VanDerWaalsContact C-N 3.26Å; V76-T78 PolarHBondContact O-N 3.48Å; T78-G81 PolarHBondContact O-N 3.35Å; T78-Y82 HydrophobicContact CG2-CD2 4.09Å; T78-Y82 HydrophobicContact CG2-CE2 4.15Å; T78-Y82 WeakPolarHBondContact O-CD2 3.25Å; T78-Y82 PolarHBondContact O-N 2.92Å; T78-Y478 VanDerWaalsContact CG2-O 3.3Å; T78-Y478 WeakPolarHBondContact CG2-O 3.39Å; T78-M479 WeakPolarHBondContact OG1-CG 3.4Å; T78-I507 HydrophobicContact CG2-CG2 4.35Å; T78-I507 VanDerWaalsContact CG2-O 3.23Å; T78-I507 WeakPolarHBondContact CG2-O 3.17Å; T78-I508 HydrophobicContact CG2-CG2 4.43Å
79	Y	95.5	Very high	92.6	Very high	134 Å²	134	63.4 Å²	63.4	53%	0.525	34%	0.337	S	S	.	.	H	α-helix	trans	-62.1	-41.6	173.1	-77.8	-63.9	0	0	0	112.2	A75 V76 G81 Y82 G83 I507 I508	A75-Y79 VanDerWaalsContact O-CD2 3.24Å; A75-Y79 WeakPolarHBondContact O-CD2 3.41Å; A75-Y79 PolarHBondContact O-N 3.09Å; V76-Y79 PolarHBondContact O-N 2.99Å; Y79-G81 VanDerWaalsContact C-N 3.35Å; Y79-G81 PolarHBondContact O-N 2.84Å; Y79-Y82 PolarHBondContact O-N 3.4Å; Y79-G83 PolarHBondContact O-N 3.25Å; Y79-I507 HydrophobicContact CD1-CG2 3.8Å; Y79-I507 HydrophobicContact CE1-CB 4.22Å; Y79-I507 HydrophobicContact CE1-CD1 4.43Å; Y79-I507 HydrophobicContact CE1-CG2 3.66Å; Y79-I508 HydrophobicContact CD2-CG2 3.97Å; Y79-I508 HydrophobicContact CE1-CG2 4.38Å; Y79-I508 HydrophobicContact CE2-CG2 3.41Å; Y79-I508 VanDerWaalsContact CE2-CG2 3.41Å
80	M	95.1	Very high	93	Very high	102 Å²	102	63.3 Å²	63.3	50%	0.502	33%	0.332	S	S	.	.	H	α-helix	trans	-60.3	-43.5	172.7	-72.5	177.3	68.9	0	0	111.6	V76 G83 I84	V76-M80 HydrophobicContact CG1-CG 4.4Å; V76-M80 HydrophobicContact CG1-SD 3.91Å; V76-M80 WeakPolarHBondContact O-CB 3.5Å; V76-M80 WeakPolarHBondContact O-CG 3.39Å; V76-M80 PolarHBondContact O-N 3.48Å; M80-G83 PolarHBondContact O-N 2.82Å; M80-I84 WeakPolarHBondContact O-CB 3.09Å; M80-I84 VanDerWaalsContact O-CG1 3.26Å; M80-I84 WeakPolarHBondContact O-CG1 3.3Å; M80-I84 PolarHBondContact O-N 3.3Å
81	G	93.9	Very high	93.4	Very high	17 Å²	17	66.1 Å²	66.1	18%	0.175	35%	0.345	C	S	.	.	H	α-helix	trans	-59.4	-47	176.7	0	0	0	0	0	113.1	L77 T78 Y79 L85	L77-G81 PolarHBondContact O-N 3.26Å; T78-G81 PolarHBondContact O-N 3.35Å; Y79-G81 VanDerWaalsContact C-N 3.35Å; Y79-G81 PolarHBondContact O-N 2.84Å; G81-L85 WeakPolarHBondContact O-CB 3.41Å; G81-L85 VanDerWaalsContact O-CG 3.31Å; G81-L85 WeakPolarHBondContact O-CG 3.14Å; G81-L85 PolarHBondContact O-N 3.21Å
82	Y	93.2	Very high	93.3	Very high	17 Å²	17	67.5 Å²	67.5	7%	0.067	35%	0.349	C	S	.	.	H	α-helix	trans	-66.5	-35.7	174.2	-85.4	-78.1	0	0	0	112.7	T78 Y79 L85 T86 Y126 L130 P480 F502 I507	T78-Y82 HydrophobicContact CG2-CD2 4.09Å; T78-Y82 HydrophobicContact CG2-CE2 4.15Å; T78-Y82 WeakPolarHBondContact O-CD2 3.25Å; T78-Y82 PolarHBondContact O-N 2.92Å; Y79-Y82 PolarHBondContact O-N 3.4Å; Y82-L85 PolarHBondContact O-N 3.02Å; Y82-T86 WeakPolarHBondContact O-CB 3.5Å; Y82-T86 PolarHBondContact O-N 3.2Å; Y82-T86 PolarHBondContact O-OG1 3.34Å; Y82-Y126 HydrophobicContact CE1-CE2 4.36Å; Y82-L130 HydrophobicContact CD1-CD2 4.19Å; Y82-L130 HydrophobicContact CE1-CD2 4.4Å; Y82-P480 HydrophobicContact CD1-CG 4.39Å; Y82-P480 HydrophobicContact CD2-CB 4.27Å; Y82-P480 HydrophobicContact CD2-CG 3.7Å; Y82-P480 HydrophobicContact CE1-CB 4.09Å; Y82-P480 HydrophobicContact CE1-CG 4.4Å; Y82-P480 HydrophobicContact CE2-CB 3.83Å; Y82-P480 HydrophobicContact CE2-CG 3.74Å; Y82-P480 HydrophobicContact CG-CG 4.06Å; Y82-F502 HydrophobicContact CE1-CB 4.28Å; Y82-I507 HydrophobicContact CD2-CG2 3.63Å; Y82-I507 HydrophobicContact CE2-CG2 3.94Å; Y82-I507 HydrophobicContact CG-CG2 4.29Å
83	G	94.1	Very high	93.2	Very high	35 Å²	35	62.9 Å²	62.9	36%	0.361	33%	0.325	S	S	.	.	H	α-helix	trans	-62.6	-48.1	174.1	0	0	0	0	0	112.7	Y79 M80 T86 V87	Y79-G83 PolarHBondContact O-N 3.25Å; M80-G83 PolarHBondContact O-N 2.82Å; G83-T86 WeakPolarHBondContact O-CB 3.31Å; G83-T86 PolarHBondContact O-N 2.99Å; G83-V87 WeakPolarHBondContact O-CG2 3.42Å; G83-V87 PolarHBondContact O-N 3.39Å
84	I	94.3	Very high	93.2	Very high	94 Å²	94	62.7 Å²	62.7	48%	0.482	32%	0.319	S	S	.	.	H	α-helix	trans	-59.4	-49.5	174.7	-68.7	163.9	0	0	0	110.3	M80 T86 V87 F88	M80-I84 WeakPolarHBondContact O-CB 3.09Å; M80-I84 VanDerWaalsContact O-CG1 3.26Å; M80-I84 WeakPolarHBondContact O-CG1 3.3Å; M80-I84 PolarHBondContact O-N 3.3Å; I84-T86 PolarHBondContact O-N 3Å; I84-V87 PolarHBondContact O-N 2.87Å; I84-F88 HydrophobicContact CG2-CD2 3.77Å; I84-F88 HydrophobicContact CG2-CE2 3.95Å; I84-F88 WeakPolarHBondContact O-CD2 3.38Å; I84-F88 PolarHBondContact O-N 3.17Å
85	L	92.6	Very high	93.1	Very high	71 Å²	71	64.4 Å²	64.4	37%	0.372	33%	0.328	S	S	.	.	H	α-helix	trans	-59.5	-35	177.1	-72.7	171.9	0	0	0	112.6	G81 Y82 G89 L130 P480	G81-L85 WeakPolarHBondContact O-CB 3.41Å; G81-L85 VanDerWaalsContact O-CG 3.31Å; G81-L85 WeakPolarHBondContact O-CG 3.14Å; G81-L85 PolarHBondContact O-N 3.21Å; Y82-L85 PolarHBondContact O-N 3.02Å; L85-G89 PolarHBondContact O-N 3.38Å; L85-L130 HydrophobicContact CB-CD1 4.37Å; L85-L130 HydrophobicContact CB-CD2 3.97Å; L85-L130 HydrophobicContact CB-CG 4.08Å; L85-L130 HydrophobicContact CD1-CD2 4.34Å; L85-P480 HydrophobicContact CD1-CB 3.77Å; L85-P480 HydrophobicContact CD1-CG 3.64Å
86	T	92.4	Very high	92.8	Very high	43 Å²	43	64.2 Å²	64.2	26%	0.264	32%	0.324	S	S	.	.	H	α-helix	trans	-69.9	-45.3	176.4	-59.8	0	0	0	0	111.5	Y82 G83 I84 F88 G89 Y90 F125	Y82-T86 WeakPolarHBondContact O-CB 3.5Å; Y82-T86 PolarHBondContact O-N 3.2Å; Y82-T86 PolarHBondContact O-OG1 3.34Å; G83-T86 WeakPolarHBondContact O-CB 3.31Å; G83-T86 PolarHBondContact O-N 2.99Å; I84-T86 PolarHBondContact O-N 3Å; T86-F88 PolarHBondContact O-N 2.78Å; T86-G89 PolarHBondContact O-N 2.83Å; T86-G89 VanDerWaalsContact O-N 3.15Å; T86-Y90 HydrophobicContact CG2-CD2 3.83Å; T86-Y90 HydrophobicContact CG2-CE2 3.52Å; T86-Y90 VanDerWaalsContact O-CD2 3.27Å; T86-Y90 WeakPolarHBondContact O-CD2 3.36Å; T86-Y90 PolarHBondContact O-N 3.05Å; T86-F125 HydrophobicContact CG2-CE1 4.13Å; T86-F125 HydrophobicContact CG2-CZ 4.07Å; T86-F125 WeakPolarHBondContact O-CZ 3.4Å
87	V	94.8	Very high	92.4	Very high	100 Å²	100	67.7 Å²	67.7	61%	0.606	34%	0.336	S	S	*	.	H	α-helix	trans	-60.8	-46.1	175.2	171.6	0	0	0	0	111.2	G83 I84 G89 Y90 L91	G83-V87 WeakPolarHBondContact O-CG2 3.42Å; G83-V87 PolarHBondContact O-N 3.39Å; I84-V87 PolarHBondContact O-N 2.87Å; V87-G89 VanDerWaalsContact C-N 3.31Å; V87-G89 PolarHBondContact O-N 3.36Å; V87-Y90 PolarHBondContact O-N 2.96Å; V87-L91 WeakPolarHBondContact O-CB 3.45Å; V87-L91 PolarHBondContact O-N 3.41Å
88	F	92.9	Very high	92.2	Very high	125 Å²	125	72.1 Å²	72.1	55%	0.548	35%	0.348	S	S	.	.	H	α-helix	trans	-64.8	-33	174.3	-87.8	-82.8	0	0	0	112.8	I84 T86 L91 R92	I84-F88 HydrophobicContact CG2-CD2 3.77Å; I84-F88 HydrophobicContact CG2-CE2 3.95Å; I84-F88 WeakPolarHBondContact O-CD2 3.38Å; I84-F88 PolarHBondContact O-N 3.17Å; T86-F88 PolarHBondContact O-N 2.78Å; F88-L91 HydrophobicContact CD1-CD2 4.47Å; F88-R92 WeakPolarHBondContact O-CB 3.19Å; F88-R92 VanDerWaalsContact O-CG 3.27Å; F88-R92 WeakPolarHBondContact O-CG 3.36Å; F88-R92 PolarHBondContact O-N 2.93Å
89	G	91.9	Very high	91.7	Very high	2 Å²	2	77.7 Å²	77.7	2%	0.021	38%	0.378	C	S	.	.	H	α-helix	trans	-61.8	-48.5	173	0	0	0	0	0	112.4	L85 T86 V87 R92 D93 N129	L85-G89 PolarHBondContact O-N 3.38Å; T86-G89 PolarHBondContact O-N 2.83Å; T86-G89 VanDerWaalsContact O-N 3.15Å; V87-G89 VanDerWaalsContact C-N 3.31Å; V87-G89 PolarHBondContact O-N 3.36Å; G89-R92 PolarHBondContact O-N 3.46Å; G89-D93 PolarHBondContact O-N 3.05Å; G89-N129 PolarHBondContact O-ND2 2.88Å
90	Y	93.3	Very high	91.4	Very high	142 Å²	142	77.1 Å²	77.1	56%	0.557	38%	0.383	S	S	*	.	H	α-helix	trans	-66.3	-39	177.1	-75.7	-62.1	0	0	0	112.4	T86 V87 R92 D93 F94 F125	T86-Y90 HydrophobicContact CG2-CD2 3.83Å; T86-Y90 HydrophobicContact CG2-CE2 3.52Å; T86-Y90 VanDerWaalsContact O-CD2 3.27Å; T86-Y90 WeakPolarHBondContact O-CD2 3.36Å; T86-Y90 PolarHBondContact O-N 3.05Å; V87-Y90 PolarHBondContact O-N 2.96Å; Y90-R92 VanDerWaalsContact C-N 3.33Å; Y90-R92 PolarHBondContact O-N 3.25Å; Y90-D93 PolarHBondContact O-N 2.99Å; Y90-F94 PolarHBondContact O-N 2.79Å; Y90-F125 HydrophobicContact CD1-CD2 4.17Å; Y90-F125 AromaticContact CD1-CE2 3.6Å; Y90-F125 HydrophobicContact CD1-CE2 3.6Å; Y90-F125 HydrophobicContact CD1-CZ 4.36Å; Y90-F125 AromaticContact CD2-CE2 3.98Å; Y90-F125 HydrophobicContact CD2-CE2 3.98Å; Y90-F125 AromaticContact CD2-CZ 3.91Å; Y90-F125 HydrophobicContact CD2-CZ 3.91Å; Y90-F125 AromaticContact CE1-CD2 3.93Å; Y90-F125 HydrophobicContact CE1-CD2 3.93Å; Y90-F125 AromaticContact CE1-CE2 3.68Å; Y90-F125 HydrophobicContact CE1-CE2 3.68Å; Y90-F125 HydrophobicContact CE1-CZ 4.34Å; Y90-F125 HydrophobicContact CE2-CE2 4.07Å; Y90-F125 AromaticContact CE2-CZ 3.9Å; Y90-F125 HydrophobicContact CE2-CZ 3.9Å; Y90-F125 AromaticContact CG-CE2 3.75Å; Y90-F125 HydrophobicContact CG-CE2 3.75Å; Y90-F125 HydrophobicContact CG-CZ 4.14Å; Y90-F125 AromaticContact CZ-CE2 3.92Å
91	L	93.2	Very high	90.8	Very high	84 Å²	84	74.4 Å²	74.4	44%	0.44	37%	0.369	S	S	.	.	H	α-helix	trans	-59.5	-43.5	173.1	177.9	60.3	0	0	0	111.5	V87 F88 F94 L95	V87-L91 WeakPolarHBondContact O-CB 3.45Å; V87-L91 PolarHBondContact O-N 3.41Å; F88-L91 HydrophobicContact CD1-CD2 4.47Å; L91-F94 WeakPolarHBondContact O-CB 3.46Å; L91-F94 PolarHBondContact O-N 2.98Å; L91-L95 HydrophobicContact CG-CD1 4.45Å; L91-L95 WeakPolarHBondContact O-CG 3.43Å; L91-L95 PolarHBondContact O-N 3.21Å
92	R	90	Very high	90	Very high	38 Å²	38	81.9 Å²	81.9	14%	0.143	40%	0.396	C	S	.	.	H	α-helix	trans	-67.7	-36	177	-71	178.9	71.8	-160.3	0.2	112.6	F88 G89 Y90 L95 R96 E101	F88-R92 WeakPolarHBondContact O-CB 3.19Å; F88-R92 VanDerWaalsContact O-CG 3.27Å; F88-R92 WeakPolarHBondContact O-CG 3.36Å; F88-R92 PolarHBondContact O-N 2.93Å; G89-R92 PolarHBondContact O-N 3.46Å; Y90-R92 VanDerWaalsContact C-N 3.33Å; Y90-R92 PolarHBondContact O-N 3.25Å; R92-L95 PolarHBondContact O-N 2.62Å; R92-R96 VanDerWaalsContact CZ-NH2 3.27Å; R92-R96 VanDerWaalsContact NH2-NH2 3.15Å; R92-R96 VanDerWaalsContact O-CG 3.25Å; R92-R96 WeakPolarHBondContact O-CG 3.44Å; R92-R96 PolarHBondContact O-N 3.24Å; R92-E101 WeakPolarHBondContact CG-OE2 3.33Å; R92-E101 IonicContact CZ-OE1 3.68Å; R92-E101 IonicContact CZ-OE2 2.71Å; R92-E101 IonicContact NE-OE1 2.82Å; R92-E101 PolarHBondContact NE-OE1 2.73Å; R92-E101 IonicContact NE-OE2 3.41Å; R92-E101 PolarHBondContact NE-OE2 2.81Å; R92-E101 IonicContact NH2-OE1 2.61Å; R92-E101 PolarHBondContact NH2-OE1 2.73Å; R92-E101 IonicContact NH2-OE2 3.21Å; R92-E101 PolarHBondContact NH2-OE2 3.39Å
93	D	89.1	Confident	89	Confident	30 Å²	30	82.7 Å²	82.7	16%	0.16	40%	0.404	C	S	.	.	H	α-helix	trans	-68.4	-35.5	173.9	-77.8	-29.8	0	0	0	113	G89 Y90 R96 H97 F125 R128 N129	G89-D93 PolarHBondContact O-N 3.05Å; Y90-D93 PolarHBondContact O-N 2.99Å; D93-R96 PolarHBondContact O-N 3.33Å; D93-R96 IonicContact OD1-CZ 2.73Å; D93-R96 IonicContact OD1-NH1 3.7Å; D93-R96 PolarHBondContact OD1-NH1 2.95Å; D93-H97 PolarHBondContact O-N 2.81Å; D93-F125 WeakPolarHBondContact OD2-CD2 3.43Å; D93-R128 IonicContact OD1-CZ 2.76Å; D93-R128 IonicContact OD1-NE 3.91Å; D93-R128 PolarHBondContact OD1-NE 3.26Å; D93-R128 IonicContact OD1-NH2 3.68Å; D93-R128 PolarHBondContact OD1-NH2 3.49Å; D93-R128 IonicContact OD2-CZ 2.66Å; D93-R128 IonicContact OD2-NE 3.75Å; D93-R128 PolarHBondContact OD2-NE 2.9Å; D93-R128 IonicContact OD2-NH2 3.36Å; D93-R128 PolarHBondContact OD2-NH2 2.67Å; D93-N129 PolarHBondContact OD2-ND2 3.08Å
94	F	90.8	Very high	88	Confident	119 Å²	119	86.1 Å²	86.1	52%	0.522	41%	0.411	S	S	.	.	H	α-helix	trans	-60.5	-49.6	167.1	176.1	-89.8	0	0	0	111.2	Y90 L91 R96 H97 W98	Y90-F94 PolarHBondContact O-N 2.79Å; L91-F94 WeakPolarHBondContact O-CB 3.46Å; L91-F94 PolarHBondContact O-N 2.98Å; F94-R96 VanDerWaalsContact C-N 3.26Å; F94-R96 PolarHBondContact O-N 3.45Å; F94-H97 WeakPolarHBondContact O-CB 3.5Å; F94-H97 PolarHBondContact O-N 3.47Å; F94-W98 AromaticContact CD1-CD1 3.81Å; F94-W98 AromaticContact CD2-NE1 3.69Å; F94-W98 AromaticContact CE1-CD1 3.58Å; F94-W98 AromaticContact CE1-NE1 3.7Å; F94-W98 AromaticContact CE2-CD1 3.81Å; F94-W98 AromaticContact CE2-NE1 3.16Å; F94-W98 AromaticContact CZ-CD1 3.58Å; F94-W98 AromaticContact CZ-NE1 3.17Å; F94-W98 PolarHBondContact O-N 3.28Å; F94-W98 VanDerWaalsContact O-N 3.11Å
95	L	90.9	Very high	87.1	Confident	49 Å²	49	83.9 Å²	83.9	26%	0.257	40%	0.401	S	S	.	.	H	α-helix	trans	-60.8	-32	176.9	-67	174.4	0	0	0	112.9	L91 R92 N99 I100 E101	L91-L95 HydrophobicContact CG-CD1 4.45Å; L91-L95 WeakPolarHBondContact O-CG 3.43Å; L91-L95 PolarHBondContact O-N 3.21Å; R92-L95 PolarHBondContact O-N 2.62Å; L95-N99 PolarHBondContact O-N 3.11Å; L95-I100 HydrophobicContact CB-CB 4.3Å; L95-I100 HydrophobicContact CD2-CB 4.15Å; L95-I100 HydrophobicContact CD2-CD1 3.75Å; L95-I100 HydrophobicContact CD2-CG2 4.11Å; L95-I100 WeakPolarHBondContact O-CA 3.42Å; L95-I100 WeakPolarHBondContact O-CB 3.48Å; L95-I100 PolarHBondContact O-N 2.92Å; L95-E101 HydrophobicContact CB-CB 4.17Å; L95-E101 PolarHBondContact O-N 3.49Å; L95-E101 VanDerWaalsContact O-N 3.16Å
96	R	87.4	Confident	86.1	Confident	8 Å²	8	85.2 Å²	85.2	3%	0.03	42%	0.422	C	S	.	.	H	α-helix	trans	-74	-28.8	173.1	-70	168.6	-166.8	138.6	3	113.7	R92 D93 F94 N99 E101 C103 N129	R92-R96 VanDerWaalsContact CZ-NH2 3.27Å; R92-R96 VanDerWaalsContact NH2-NH2 3.15Å; R92-R96 VanDerWaalsContact O-CG 3.25Å; R92-R96 WeakPolarHBondContact O-CG 3.44Å; R92-R96 PolarHBondContact O-N 3.24Å; D93-R96 PolarHBondContact O-N 3.33Å; D93-R96 IonicContact OD1-CZ 2.73Å; D93-R96 IonicContact OD1-NH1 3.7Å; D93-R96 PolarHBondContact OD1-NH1 2.95Å; F94-R96 VanDerWaalsContact C-N 3.26Å; F94-R96 PolarHBondContact O-N 3.45Å; R96-N99 PolarHBondContact O-N 3.39Å; R96-E101 HydrophobicContact CG-CB 3.89Å; R96-E101 HydrophobicContact CG-CG 4.24Å; R96-E101 WeakPolarHBondContact CG-O 3.37Å; R96-E101 IonicContact CZ-OE1 2.73Å; R96-E101 IonicContact NE-OE1 2.72Å; R96-E101 PolarHBondContact NE-OE1 2.76Å; R96-E101 IonicContact NH2-OE1 2.93Å; R96-E101 PolarHBondContact NH2-OE1 2.83Å; R96-E101 IonicContact NH2-OE2 3.43Å; R96-C103 HydrophobicContact CG-CB 4.22Å; R96-N129 PolarHBondContact NH1-OD1 3.13Å; R96-N129 PolarHBondContact NH2-OD1 3.49Å
97	H	86.3	Confident	85.1	Confident	145 Å²	145	90.9 Å²	90.9	67%	0.671	44%	0.439	S	S	*	.	H	α-helix	trans	-67.6	-43	173.5	-177.8	84.7	0	0	0	110.6	D93 F94 N99	D93-H97 PolarHBondContact O-N 2.81Å; F94-H97 WeakPolarHBondContact O-CB 3.5Å; F94-H97 PolarHBondContact O-N 3.47Å; H97-N99 PolarHBondContact O-N 2.69Å
98	W	89.3	Confident	84.1	Confident	159 Å²	159	91.4 Å²	91.4	60%	0.602	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	8.9	173.1	-62.8	101.6	0	0	0	114.2	F94 I100	F94-W98 AromaticContact CD1-CD1 3.81Å; F94-W98 AromaticContact CD2-NE1 3.69Å; F94-W98 AromaticContact CE1-CD1 3.58Å; F94-W98 AromaticContact CE1-NE1 3.7Å; F94-W98 AromaticContact CE2-CD1 3.81Å; F94-W98 AromaticContact CE2-NE1 3.16Å; F94-W98 AromaticContact CZ-CD1 3.58Å; F94-W98 AromaticContact CZ-NE1 3.17Å; F94-W98 PolarHBondContact O-N 3.28Å; F94-W98 VanDerWaalsContact O-N 3.11Å; W98-I100 HydrophobicContact CB-CD1 3.94Å; W98-I100 HydrophobicContact CB-CG1 4.12Å; W98-I100 PolarHBondContact O-N 3.36Å; W98-I100 VanDerWaalsContact O-N 3.1Å
99	N	84.6	Confident	83.6	Confident	118 Å²	118	93.4 Å²	93.4	63%	0.631	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.8	17.8	-177.6	-57.9	-63.3	0	0	0	116	L95 R96 H97	L95-N99 PolarHBondContact O-N 3.11Å; R96-N99 PolarHBondContact O-N 3.39Å; H97-N99 PolarHBondContact O-N 2.69Å
100	I	88.6	Confident	83.1	Confident	122 Å²	122	99.3 Å²	99.3	63%	0.626	47%	0.47	S	S	*	.	S	Bend	trans	-72.6	-39.4	175.5	-59.4	166.5	0	0	0	110.5	L95 W98	L95-I100 HydrophobicContact CB-CB 4.3Å; L95-I100 HydrophobicContact CD2-CB 4.15Å; L95-I100 HydrophobicContact CD2-CD1 3.75Å; L95-I100 HydrophobicContact CD2-CG2 4.11Å; L95-I100 WeakPolarHBondContact O-CA 3.42Å; L95-I100 WeakPolarHBondContact O-CB 3.48Å; L95-I100 PolarHBondContact O-N 2.92Å; W98-I100 HydrophobicContact CB-CD1 3.94Å; W98-I100 HydrophobicContact CB-CG1 4.12Å; W98-I100 PolarHBondContact O-N 3.36Å; W98-I100 VanDerWaalsContact O-N 3.1Å
101	E	83.2	Confident	82.6	Confident	44 Å²	44	99.8 Å²	99.8	21%	0.206	48%	0.477	C	S	.	.	S	Bend	trans	-103.6	131.8	169.7	-172.3	-171	133.3	0	0	110.6	R92 L95 R96 C103	R92-E101 WeakPolarHBondContact CG-OE2 3.33Å; R92-E101 IonicContact CZ-OE1 3.68Å; R92-E101 IonicContact CZ-OE2 2.71Å; R92-E101 IonicContact NE-OE1 2.82Å; R92-E101 PolarHBondContact NE-OE1 2.73Å; R92-E101 IonicContact NE-OE2 3.41Å; R92-E101 PolarHBondContact NE-OE2 2.81Å; R92-E101 IonicContact NH2-OE1 2.61Å; R92-E101 PolarHBondContact NH2-OE1 2.73Å; R92-E101 IonicContact NH2-OE2 3.21Å; R92-E101 PolarHBondContact NH2-OE2 3.39Å; L95-E101 HydrophobicContact CB-CB 4.17Å; L95-E101 PolarHBondContact O-N 3.49Å; L95-E101 VanDerWaalsContact O-N 3.16Å; R96-E101 HydrophobicContact CG-CB 3.89Å; R96-E101 HydrophobicContact CG-CG 4.24Å; R96-E101 WeakPolarHBondContact CG-O 3.37Å; R96-E101 IonicContact CZ-OE1 2.73Å; R96-E101 IonicContact NE-OE1 2.72Å; R96-E101 PolarHBondContact NE-OE1 2.76Å; R96-E101 IonicContact NH2-OE1 2.93Å; R96-E101 PolarHBondContact NH2-OE1 2.83Å; R96-E101 IonicContact NH2-OE2 3.43Å; E101-C103 PolarHBondContact O-N 2.73Å
102	K	77.3	Confident	82.1	Confident	174 Å²	174	99.1 Å²	99.1	76%	0.757	47%	0.472	S	S	*	.	P	Polyproline II helix	trans	-66.8	125.7	172	-66	-174.3	179.9	-178.3	0	110.6
103	C	72.2	Confident	81.5	Confident	35 Å²	35	103.4 Å²	103.4	24%	0.236	49%	0.492	C	S	.	.	P	Polyproline II helix	trans	-89.8	119	171.5	-165.4	0	0	0	0	110	R96 E101	R96-C103 HydrophobicContact CG-CB 4.22Å; E101-C103 PolarHBondContact O-N 2.73Å
104	H	73.3	Confident	81.4	Confident	106 Å²	106	109.3 Å²	109.3	49%	0.491	52%	0.523	S	S	.	.			trans	-91.7	1.4	177	-62.5	-87.8	0	0	0	113.5	W162	H104-W162 HydrophobicContact CB-CB 4.34Å; H104-W162 HydrophobicContact CB-CD2 3.69Å; H104-W162 HydrophobicContact CB-CE3 4.31Å; H104-W162 HydrophobicContact CB-CG 3.64Å; H104-W162 AromaticContact CD2-CD1 3.69Å; H104-W162 AromaticContact CD2-NE1 3.82Å; H104-W162 AromaticContact CG-CD1 3.74Å
105	V	74.4	Confident	81.1	Confident	47 Å²	47	110.3 Å²	110.3	29%	0.285	53%	0.527	S	S	.	.	S	Bend	trans	-73	136.1	171.2	179.9	0	0	0	0	109.1	R107 R128 W162	V105-R107 PolarHBondContact O-N 2.69Å; V105-R128 HydrophobicContact CG2-CB 4.2Å; V105-R128 HydrophobicContact CG2-CG 3.81Å; V105-W162 HydrophobicContact CG2-CH2 3.22Å; V105-W162 HydrophobicContact CG2-CZ2 4.05Å; V105-W162 HydrophobicContact CG2-CZ3 3.68Å
106	A	71.8	Confident	80.8	Confident	99 Å²	99	114 Å²	114	82%	0.818	55%	0.552	S	S	*	*			trans	-57.4	111.2	167.6	0	0	0	0	0	109.6
107	R	71.7	Confident	80.3	Confident	162 Å²	162	117.8 Å²	117.8	61%	0.611	58%	0.577	S	S	*	*	P	Polyproline II helix	trans	-77.3	142.8	173.2	-67.4	179.4	172.7	176.2	-3.5	108.8	V105	V105-R107 PolarHBondContact O-N 2.69Å
108	E	74.9	Confident	79.9	Confident	111 Å²	111	118.1 Å²	118.1	52%	0.519	58%	0.583	S	S	.	*	P	Polyproline II helix	trans	-58.6	141.9	166.9	-68	170.4	165.9	0	0	109.7	Q112	E108-Q112 HydrophobicContact CB-CB 4.44Å
109	R	80.9	Confident	79.2	Confident	167 Å²	167	117.2 Å²	117.2	63%	0.63	58%	0.581	S	S	*	*	P	Polyproline II helix	trans	-67.1	155	176	-56.5	174	-166.9	-167.5	2.8	109.3	E111 Q112	R109-E111 PolarHBondContact O-N 3.21Å; R109-Q112 HydrophobicContact CB-CG 4.16Å; R109-Q112 VanDerWaalsContact CG-OE1 3.3Å; R109-Q112 WeakPolarHBondContact O-CB 3.1Å; R109-Q112 PolarHBondContact O-N 3.16Å
110	D	81.1	Confident	78.9	Confident	127 Å²	127	118.7 Å²	118.7	68%	0.679	58%	0.584	S	S	*	*	G	3₁₀ helix	trans	-54.7	-36.9	176.5	-65.8	-75.5	0	0	0	112.5	Q112 K113	D110-Q112 PolarHBondContact O-N 2.84Å; D110-Q112 VanDerWaalsContact O-N 3.16Å; D110-K113 PolarHBondContact O-N 3.08Å; D110-K113 WeakPolarHBondContact OD1-CE 3.28Å; D110-K113 IonicContact OD1-NZ 3.85Å; D110-K113 PolarHBondContact OD1-NZ 3.4Å
111	E	84.4	Confident	78.5	Confident	152 Å²	152	119.6 Å²	119.6	71%	0.71	59%	0.59	S	S	*	*	G	3₁₀ helix	trans	-59.1	-19.2	173.6	-56.8	167.8	154.5	0	0	114.7	R109	R109-E111 PolarHBondContact O-N 3.21Å
112	Q	81.3	Confident	78.6	Confident	70 Å²	70	122.5 Å²	122.5	33%	0.327	60%	0.602	S	S	.	*	G	3₁₀ helix	trans	-109.5	-6.3	-171.2	-60.9	-179.3	-70.7	0	0	113.1	E108 R109 D110 D114 F115	E108-Q112 HydrophobicContact CB-CB 4.44Å; R109-Q112 HydrophobicContact CB-CG 4.16Å; R109-Q112 VanDerWaalsContact CG-OE1 3.3Å; R109-Q112 WeakPolarHBondContact O-CB 3.1Å; R109-Q112 PolarHBondContact O-N 3.16Å; D110-Q112 PolarHBondContact O-N 2.84Å; D110-Q112 VanDerWaalsContact O-N 3.16Å; Q112-D114 PolarHBondContact O-N 3.12Å; Q112-F115 VanDerWaalsContact O-CB 3.23Å; Q112-F115 WeakPolarHBondContact O-CB 3.08Å; Q112-F115 PolarHBondContact O-N 3.12Å
113	K	78.1	Confident	78.9	Confident	128 Å²	128	118.9 Å²	118.9	56%	0.557	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.8	-19	-175	-70.1	176.3	177.6	171.4	0	114.8	D110 F115	D110-K113 PolarHBondContact O-N 3.08Å; D110-K113 WeakPolarHBondContact OD1-CE 3.28Å; D110-K113 IonicContact OD1-NZ 3.85Å; D110-K113 PolarHBondContact OD1-NZ 3.4Å; K113-F115 VanDerWaalsContact C-N 3.32Å
114	D	86.1	Confident	79.6	Confident	153 Å²	153	120 Å²	120	82%	0.818	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.1	-0.5	175	-68.3	-29.9	0	0	0	112.9	Q112	Q112-D114 PolarHBondContact O-N 3.12Å
115	F	85.1	Confident	80.4	Confident	140 Å²	140	115.4 Å²	115.4	61%	0.614	57%	0.57	S	S	*	*	S	Bend	trans	-78.9	160.4	178.7	-72.5	36.7	0	0	0	110.4	Q112 K113 P117	Q112-F115 VanDerWaalsContact O-CB 3.23Å; Q112-F115 WeakPolarHBondContact O-CB 3.08Å; Q112-F115 PolarHBondContact O-N 3.12Å; K113-F115 VanDerWaalsContact C-N 3.32Å; F115-P117 WeakPolarHBondContact O-CD 3.37Å
116	V	84.1	Confident	81.1	Confident	128 Å²	128	114.5 Å²	114.5	78%	0.776	56%	0.562	S	S	*	*	P	Polyproline II helix	trans	-71	124.2	173.6	-179.1	0	0	0	0	109.1	L118	V116-L118 PolarHBondContact O-N 3.39Å
117	P	78.3	Confident	81.9	Confident	86 Å²	86	112.5 Å²	112.5	56%	0.558	54%	0.54	S	S	*	.	P	Polyproline II helix	trans	-58.3	131.4	179.2	-26.6	35.6	0	0	0	112.3	F115 Y119	F115-P117 WeakPolarHBondContact O-CD 3.37Å; P117-Y119 VanDerWaalsContact C-N 3.34Å
118	L	77.6	Confident	82.6	Confident	153 Å²	153	107.6 Å²	107.6	80%	0.801	52%	0.521	S	S	*	.	S	Bend	trans	-77	-19.6	-178.4	-62.6	178.2	0	0	0	113.6	V116	V116-L118 PolarHBondContact O-N 3.39Å
119	Y	74.6	Confident	83.3	Confident	139 Å²	139	102.8 Å²	102.8	55%	0.545	50%	0.499	S	S	.	.	S	Bend	trans	-128.9	154	-175.2	-59.1	-80.3	0	0	0	110.8	P117	P117-Y119 VanDerWaalsContact C-N 3.34Å
120	Q	78.2	Confident	83.7	Confident	149 Å²	149	95.6 Å²	95.6	70%	0.696	47%	0.473	S	S	*	.			trans	-77.8	146.7	176	-60.9	-173.5	5.8	0	0	111.4	F122 E123 N124	Q120-F122 PolarHBondContact O-N 2.78Å; Q120-E123 HydrophobicContact CB-CB 4.35Å; Q120-E123 WeakPolarHBondContact O-CB 3.41Å; Q120-E123 PolarHBondContact O-N 3.15Å; Q120-N124 PolarHBondContact O-N 2.74Å
121	D	80.9	Confident	84.2	Confident	141 Å²	141	92.9 Å²	92.9	75%	0.754	45%	0.454	S	S	*	.	H	α-helix	trans	-53.3	-41.3	-178.9	-65.4	-43.3	0	0	0	113.1	F125	D121-F125 VanDerWaalsContact O-CB 3.27Å; D121-F125 WeakPolarHBondContact O-CB 3.48Å; D121-F125 PolarHBondContact O-N 2.81Å
122	F	84.9	Confident	84.4	Confident	106 Å²	106	86.1 Å²	86.1	47%	0.465	42%	0.422	S	S	.	.	H	α-helix	trans	-69.7	-34.7	178.5	-179.2	-100.5	0	0	0	112.9	Q120 F125 Y126 F502	Q120-F122 PolarHBondContact O-N 2.78Å; F122-F125 HydrophobicContact CD2-CD1 4.48Å; F122-F125 PolarHBondContact O-N 3.49Å; F122-Y126 HydrophobicContact CZ-CD2 4.46Å; F122-Y126 VanDerWaalsContact O-CB 3.25Å; F122-Y126 WeakPolarHBondContact O-CB 3.5Å; F122-Y126 PolarHBondContact O-N 3.02Å; F122-F502 AromaticContact CE1-CE1 3.77Å; F122-F502 HydrophobicContact CE1-CE1 3.77Å; F122-F502 AromaticContact CE1-CZ 3.91Å; F122-F502 HydrophobicContact CE1-CZ 3.91Å; F122-F502 AromaticContact CZ-CE1 3.9Å; F122-F502 HydrophobicContact CZ-CE1 3.9Å; F122-F502 HydrophobicContact CZ-CZ 4.2Å
123	E	84.3	Confident	84.8	Confident	97 Å²	97	86.7 Å²	86.7	45%	0.453	42%	0.421	S	S	.	.	H	α-helix	trans	-69	-44	176.3	-176.6	179	-165	0	0	110.8	Q120 F125 Y126 T127	Q120-E123 HydrophobicContact CB-CB 4.35Å; Q120-E123 WeakPolarHBondContact O-CB 3.41Å; Q120-E123 PolarHBondContact O-N 3.15Å; E123-F125 PolarHBondContact O-N 3.17Å; E123-Y126 PolarHBondContact O-N 3.34Å; E123-T127 WeakPolarHBondContact O-CB 3.36Å; E123-T127 PolarHBondContact O-N 3.03Å; E123-T127 PolarHBondContact O-OG1 3.48Å
124	N	85.8	Confident	85.5	Confident	60 Å²	60	82.1 Å²	82.1	32%	0.321	40%	0.403	S	S	.	.	H	α-helix	trans	-58.1	-46.4	171.6	-81.7	-38.7	0	0	0	111.8	Q120 R128	Q120-N124 PolarHBondContact O-N 2.74Å; N124-R128 WeakPolarHBondContact O-CB 3.45Å; N124-R128 PolarHBondContact O-N 2.88Å
125	F	89.2	Confident	85.8	Confident	8 Å²	8	78.3 Å²	78.3	4%	0.035	38%	0.377	C	S	.	.	H	α-helix	trans	-61.6	-51.6	176.3	173.4	-91.6	0	0	0	112.2	T86 Y90 D93 D121 F122 E123 T127 R128 N129 L130	T86-F125 HydrophobicContact CG2-CE1 4.13Å; T86-F125 HydrophobicContact CG2-CZ 4.07Å; T86-F125 WeakPolarHBondContact O-CZ 3.4Å; Y90-F125 HydrophobicContact CD1-CD2 4.17Å; Y90-F125 AromaticContact CD1-CE2 3.6Å; Y90-F125 HydrophobicContact CD1-CE2 3.6Å; Y90-F125 HydrophobicContact CD1-CZ 4.36Å; Y90-F125 AromaticContact CD2-CE2 3.98Å; Y90-F125 HydrophobicContact CD2-CE2 3.98Å; Y90-F125 AromaticContact CD2-CZ 3.91Å; Y90-F125 HydrophobicContact CD2-CZ 3.91Å; Y90-F125 AromaticContact CE1-CD2 3.93Å; Y90-F125 HydrophobicContact CE1-CD2 3.93Å; Y90-F125 AromaticContact CE1-CE2 3.68Å; Y90-F125 HydrophobicContact CE1-CE2 3.68Å; Y90-F125 HydrophobicContact CE1-CZ 4.34Å; Y90-F125 HydrophobicContact CE2-CE2 4.07Å; Y90-F125 AromaticContact CE2-CZ 3.9Å; Y90-F125 HydrophobicContact CE2-CZ 3.9Å; Y90-F125 AromaticContact CG-CE2 3.75Å; Y90-F125 HydrophobicContact CG-CE2 3.75Å; Y90-F125 HydrophobicContact CG-CZ 4.14Å; Y90-F125 AromaticContact CZ-CE2 3.92Å; D93-F125 WeakPolarHBondContact OD2-CD2 3.43Å; D121-F125 VanDerWaalsContact O-CB 3.27Å; D121-F125 WeakPolarHBondContact O-CB 3.48Å; D121-F125 PolarHBondContact O-N 2.81Å; F122-F125 HydrophobicContact CD2-CD1 4.48Å; F122-F125 PolarHBondContact O-N 3.49Å; E123-F125 PolarHBondContact O-N 3.17Å; F125-T127 PolarHBondContact O-N 2.97Å; F125-R128 PolarHBondContact O-N 3.17Å; F125-N129 WeakPolarHBondContact CD2-ND2 3.38Å; F125-N129 VanDerWaalsContact CE2-ND2 3.32Å; F125-N129 WeakPolarHBondContact CE2-ND2 3.23Å; F125-N129 WeakPolarHBondContact O-CB 3.46Å; F125-N129 PolarHBondContact O-N 2.85Å; F125-N129 PolarHBondContact O-ND2 3.12Å; F125-L130 HydrophobicContact CE1-CD1 4.35Å
126	Y	89.4	Confident	86.2	Confident	29 Å²	29	72.4 Å²	72.4	11%	0.114	35%	0.352	C	S	.	.	H	α-helix	trans	-62.2	-44.5	-177.9	-173.2	-96.3	0	0	0	111.3	Y82 F122 E123 L130 Y131 F502	Y82-Y126 HydrophobicContact CE1-CE2 4.36Å; F122-Y126 HydrophobicContact CZ-CD2 4.46Å; F122-Y126 VanDerWaalsContact O-CB 3.25Å; F122-Y126 WeakPolarHBondContact O-CB 3.5Å; F122-Y126 PolarHBondContact O-N 3.02Å; E123-Y126 PolarHBondContact O-N 3.34Å; Y126-L130 HydrophobicContact CD2-CB 4Å; Y126-L130 HydrophobicContact CD2-CD2 3.77Å; Y126-L130 HydrophobicContact CD2-CG 4.37Å; Y126-L130 HydrophobicContact CE2-CB 3.78Å; Y126-L130 HydrophobicContact CE2-CD2 3.41Å; Y126-L130 VanDerWaalsContact CE2-CD2 3.41Å; Y126-L130 HydrophobicContact CE2-CG 4.2Å; Y126-L130 HydrophobicContact CG-CB 4.5Å; Y126-L130 WeakPolarHBondContact O-CA 3.33Å; Y126-L130 WeakPolarHBondContact O-CB 3.2Å; Y126-L130 PolarHBondContact O-N 3.47Å; Y126-Y131 PolarHBondContact O-N 3.28Å; Y126-F502 HydrophobicContact CD2-CD1 4.23Å; Y126-F502 HydrophobicContact CD2-CE1 4.21Å; Y126-F502 AromaticContact CE2-CD1 3.68Å; Y126-F502 HydrophobicContact CE2-CD1 3.68Å; Y126-F502 HydrophobicContact CE2-CE1 4.12Å; Y126-F502 AromaticContact CZ-CD1 3.85Å; Y126-F502 PolarHBondContact OH-O 2.94Å
127	T	88.3	Confident	86.6	Confident	57 Å²	57	67.2 Å²	67.2	35%	0.35	32%	0.319	S	S	.	.	H	α-helix	trans	-58.2	-59.8	176.5	-60.7	0	0	0	0	109.9	E123 F125 N129 Y131 M132	E123-T127 WeakPolarHBondContact O-CB 3.36Å; E123-T127 PolarHBondContact O-N 3.03Å; E123-T127 PolarHBondContact O-OG1 3.48Å; F125-T127 PolarHBondContact O-N 2.97Å; T127-N129 PolarHBondContact O-N 2.76Å; T127-Y131 HydrophobicContact CG2-CD1 4.25Å; T127-M132 VanDerWaalsContact O-CG 3.28Å; T127-M132 WeakPolarHBondContact O-CG 3.3Å; T127-M132 PolarHBondContact O-N 2.83Å
128	R	87.7	Confident	87.2	Confident	58 Å²	58	65.8 Å²	65.8	22%	0.219	30%	0.303	C	S	.	.	H	α-helix	trans	-60.9	-36.9	-174.7	179.4	172.8	60.2	-116.4	0.4	114	D93 V105 N124 F125 W162	D93-R128 IonicContact OD1-CZ 2.76Å; D93-R128 IonicContact OD1-NE 3.91Å; D93-R128 PolarHBondContact OD1-NE 3.26Å; D93-R128 IonicContact OD1-NH2 3.68Å; D93-R128 PolarHBondContact OD1-NH2 3.49Å; D93-R128 IonicContact OD2-CZ 2.66Å; D93-R128 IonicContact OD2-NE 3.75Å; D93-R128 PolarHBondContact OD2-NE 2.9Å; D93-R128 IonicContact OD2-NH2 3.36Å; D93-R128 PolarHBondContact OD2-NH2 2.67Å; V105-R128 HydrophobicContact CG2-CB 4.2Å; V105-R128 HydrophobicContact CG2-CG 3.81Å; N124-R128 WeakPolarHBondContact O-CB 3.45Å; N124-R128 PolarHBondContact O-N 2.88Å; F125-R128 PolarHBondContact O-N 3.17Å; R128-W162 HydrophobicContact CG-CH2 4.27Å; R128-W162 HydrophobicContact CG-CZ2 4.36Å
129	N	89.2	Confident	87.8	Confident	11 Å²	11	64.6 Å²	64.6	6%	0.059	30%	0.298	C	S	.	.	H	α-helix	trans	-101.4	-40	-170.7	-68.8	-46.8	0	0	0	114.6	G89 D93 R96 F125 T127	G89-N129 PolarHBondContact O-ND2 2.88Å; D93-N129 PolarHBondContact OD2-ND2 3.08Å; R96-N129 PolarHBondContact NH1-OD1 3.13Å; R96-N129 PolarHBondContact NH2-OD1 3.49Å; F125-N129 WeakPolarHBondContact CD2-ND2 3.38Å; F125-N129 VanDerWaalsContact CE2-ND2 3.32Å; F125-N129 WeakPolarHBondContact CE2-ND2 3.23Å; F125-N129 WeakPolarHBondContact O-CB 3.46Å; F125-N129 PolarHBondContact O-N 2.85Å; F125-N129 PolarHBondContact O-ND2 3.12Å; T127-N129 PolarHBondContact O-N 2.76Å
130	L	90	Very high	88.6	Confident	16 Å²	16	61.6 Å²	61.6	8%	0.084	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	-61.3	-172	-79.4	69.3	0	0	0	111.4	Y82 L85 F125 Y126 M132 R133	Y82-L130 HydrophobicContact CD1-CD2 4.19Å; Y82-L130 HydrophobicContact CE1-CD2 4.4Å; L85-L130 HydrophobicContact CB-CD1 4.37Å; L85-L130 HydrophobicContact CB-CD2 3.97Å; L85-L130 HydrophobicContact CB-CG 4.08Å; L85-L130 HydrophobicContact CD1-CD2 4.34Å; F125-L130 HydrophobicContact CE1-CD1 4.35Å; Y126-L130 HydrophobicContact CD2-CB 4Å; Y126-L130 HydrophobicContact CD2-CD2 3.77Å; Y126-L130 HydrophobicContact CD2-CG 4.37Å; Y126-L130 HydrophobicContact CE2-CB 3.78Å; Y126-L130 HydrophobicContact CE2-CD2 3.41Å; Y126-L130 VanDerWaalsContact CE2-CD2 3.41Å; Y126-L130 HydrophobicContact CE2-CG 4.2Å; Y126-L130 HydrophobicContact CG-CB 4.5Å; Y126-L130 WeakPolarHBondContact O-CA 3.33Å; Y126-L130 WeakPolarHBondContact O-CB 3.2Å; Y126-L130 PolarHBondContact O-N 3.47Å; L130-M132 PolarHBondContact O-N 3.03Å; L130-R133 PolarHBondContact O-N 3.33Å
131	Y	90.1	Very high	89.3	Confident	69 Å²	69	56.6 Å²	56.6	27%	0.271	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-55.6	-47.1	-175.6	170.5	-112.6	0	0	0	112.5	Y126 T127 R133 I134 R135 W138	Y126-Y131 PolarHBondContact O-N 3.28Å; T127-Y131 HydrophobicContact CG2-CD1 4.25Å; Y131-R133 VanDerWaalsContact C-N 3.31Å; Y131-R133 PolarHBondContact O-N 2.73Å; Y131-I134 CarbonylContact O-C 3.6Å; Y131-I134 PolarHBondContact O-N 3.36Å; Y131-I134 VanDerWaalsContact O-N 3.08Å; Y131-R135 HydrophobicContact CE1-CB 4.38Å; Y131-R135 HydrophobicContact CE1-CG 4.12Å; Y131-R135 PolarHBondContact O-N 3.4Å; Y131-W138 HydrophobicContact CD2-CE3 4.23Å; Y131-W138 AromaticContact CD2-CZ3 3.8Å; Y131-W138 HydrophobicContact CD2-CZ3 3.8Å; Y131-W138 AromaticContact CE2-CE3 3.63Å; Y131-W138 HydrophobicContact CE2-CE3 3.63Å; Y131-W138 AromaticContact CE2-CZ3 3.7Å; Y131-W138 HydrophobicContact CE2-CZ3 3.7Å
132	M	89.6	Confident	90	Very high	11 Å²	11	53.5 Å²	53.5	5%	0.054	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-56.3	-40	-176.8	-70.9	-52	-58.4	0	0	113.2	T127 L130 I134 R135 N161 W162	T127-M132 VanDerWaalsContact O-CG 3.28Å; T127-M132 WeakPolarHBondContact O-CG 3.3Å; T127-M132 PolarHBondContact O-N 2.83Å; L130-M132 PolarHBondContact O-N 3.03Å; M132-I134 PolarHBondContact O-N 3.01Å; M132-I134 VanDerWaalsContact O-N 3.08Å; M132-R135 PolarHBondContact O-N 3.42Å; M132-N161 WeakPolarHBondContact CE-O 3.27Å; M132-N161 VanDerWaalsContact O-CB 3.31Å; M132-N161 WeakPolarHBondContact O-CB 3.4Å; M132-N161 PolarHBondContact O-ND2 2.94Å; M132-W162 HydrophobicContact CB-CZ2 4.36Å; M132-W162 HydrophobicContact CE-CB 4.47Å; M132-W162 HydrophobicContact CE-CD2 3.8Å; M132-W162 HydrophobicContact CE-CE3 3.57Å; M132-W162 HydrophobicContact CE-CG 4.24Å; M132-W162 HydrophobicContact CE-CZ3 3.99Å; M132-W162 HydrophobicContact CG-CD2 4.49Å; M132-W162 HydrophobicContact CG-CE3 4.24Å; M132-W162 HydrophobicContact CG-CH2 3.59Å; M132-W162 HydrophobicContact CG-CZ2 3.92Å; M132-W162 HydrophobicContact CG-CZ3 3.79Å; M132-W162 HydrophobicContact SD-CE3 4.21Å; M132-W162 HydrophobicContact SD-CH2 4.43Å; M132-W162 HydrophobicContact SD-CZ3 4.02Å
133	R	89.3	Confident	90.4	Very high	81 Å²	81	51.8 Å²	51.8	31%	0.306	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-70.1	-5.6	-178.1	-82.6	-79.7	161.4	146.2	-71.1	115.1	L130 Y131 Y160 R488	L130-R133 PolarHBondContact O-N 3.33Å; Y131-R133 VanDerWaalsContact C-N 3.31Å; Y131-R133 PolarHBondContact O-N 2.73Å; R133-Y160 VanDerWaalsContact NE-CB 3.27Å; R133-Y160 PolarHBondContact NH1-OH 3.45Å; R133-Y160 PolarHBondContact NH2-OH 3.5Å; R133-R488 PolarHBondContact O-NH2 3.05Å; R133-R488 VanDerWaalsContact O-NH2 3.16Å
134	I	92.2	Very high	90.9	Very high	32 Å²	32	49.1 Å²	49.1	16%	0.164	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-129.4	3	172.8	53.9	173.7	0	0	0	114.4	Y131 M132 D136 N137 W138	Y131-I134 CarbonylContact O-C 3.6Å; Y131-I134 PolarHBondContact O-N 3.36Å; Y131-I134 VanDerWaalsContact O-N 3.08Å; M132-I134 PolarHBondContact O-N 3.01Å; M132-I134 VanDerWaalsContact O-N 3.08Å; I134-D136 VanDerWaalsContact C-OD1 3.29Å; I134-D136 PolarHBondContact O-N 2.9Å; I134-N137 WeakPolarHBondContact O-CB 3.33Å; I134-N137 PolarHBondContact O-N 3.45Å; I134-N137 PolarHBondContact O-ND2 3.49Å; I134-W138 HydrophobicContact CB-CH2 4.49Å; I134-W138 HydrophobicContact CB-CZ3 4.39Å; I134-W138 HydrophobicContact CD1-CH2 3.74Å; I134-W138 HydrophobicContact CD1-CZ3 4.3Å; I134-W138 HydrophobicContact CG1-CH2 3.87Å; I134-W138 HydrophobicContact CG1-CZ3 3.9Å; I134-W138 WeakPolarHBondContact O-CZ3 3.39Å
135	R	92.7	Very high	91.2	Very high	74 Å²	74	48.6 Å²	48.6	28%	0.279	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-49.7	-28.4	-179.6	178.2	-178.9	175.6	-145.8	10.9	114.9	Y131 M132 N137 W138 N161 W162 F164	Y131-R135 HydrophobicContact CE1-CB 4.38Å; Y131-R135 HydrophobicContact CE1-CG 4.12Å; Y131-R135 PolarHBondContact O-N 3.4Å; M132-R135 PolarHBondContact O-N 3.42Å; R135-N137 PolarHBondContact O-N 2.95Å; R135-N137 VanDerWaalsContact O-N 3.09Å; R135-W138 PolarHBondContact O-N 2.84Å; R135-W138 VanDerWaalsContact O-N 3.12Å; R135-N161 HydrophobicContact CB-CB 3.92Å; R135-N161 PolarHBondContact N-ND2 2.84Å; R135-N161 PolarHBondContact NH1-O 3.33Å; R135-W162 PolarHBondContact NH1-O 3.21Å; R135-F164 HydrophobicContact CG-CE2 4.13Å; R135-F164 HydrophobicContact CG-CZ 4.43Å
136	D	92.9	Very high	91.3	Very high	15 Å²	15	50.5 Å²	50.5	8%	0.08	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-57.9	-18.6	176.8	58.3	-72.2	0	0	0	114.8	I134 R140 R155 N161 F164 R488	I134-D136 VanDerWaalsContact C-OD1 3.29Å; I134-D136 PolarHBondContact O-N 2.9Å; D136-R140 VanDerWaalsContact O-CZ 3.28Å; D136-R140 PolarHBondContact O-NE 3.16Å; D136-R140 PolarHBondContact O-NH2 3Å; D136-R155 PolarHBondContact O-NH2 3.12Å; D136-N161 PolarHBondContact N-ND2 3.42Å; D136-N161 PolarHBondContact OD1-ND2 3.1Å; D136-F164 HydrophobicContact CB-CE1 3.9Å; D136-F164 HydrophobicContact CB-CZ 3.96Å; D136-R488 IonicContact OD1-CZ 2.76Å; D136-R488 IonicContact OD1-NE 3.23Å; D136-R488 IonicContact OD1-NH2 2.75Å; D136-R488 PolarHBondContact OD1-NH2 3.06Å; D136-R488 IonicContact OD2-CZ 3.98Å; D136-R488 IonicContact OD2-NE 3.13Å; D136-R488 PolarHBondContact OD2-NE 3.34Å; D136-R488 IonicContact OD2-NH2 3.74Å; D136-R488 PolarHBondContact OD2-NH2 2.86Å
137	N	93.2	Very high	91.5	Very high	19 Å²	19	49.6 Å²	49.6	10%	0.102	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-73.9	-22.8	176.4	-70.4	-89.3	0	0	0	113.6	I134 R135 G487 R488 V499	I134-N137 WeakPolarHBondContact O-CB 3.33Å; I134-N137 PolarHBondContact O-N 3.45Å; I134-N137 PolarHBondContact O-ND2 3.49Å; R135-N137 PolarHBondContact O-N 2.95Å; R135-N137 VanDerWaalsContact O-N 3.09Å; N137-G487 WeakPolarHBondContact OD1-CA 3.32Å; N137-R488 PolarHBondContact OD1-N 2.9Å; N137-V499 HydrophobicContact CB-CG2 4.04Å
138	W	91.9	Very high	91.8	Very high	56 Å²	56	47.6 Å²	47.6	21%	0.212	24%	0.242	C	C	.	.	S	Bend	trans	-117.3	163.4	-174.2	-55.1	-76.6	0	0	0	113.6	Y131 I134 R135 R140 R155 I483 V499	Y131-W138 HydrophobicContact CD2-CE3 4.23Å; Y131-W138 AromaticContact CD2-CZ3 3.8Å; Y131-W138 HydrophobicContact CD2-CZ3 3.8Å; Y131-W138 AromaticContact CE2-CE3 3.63Å; Y131-W138 HydrophobicContact CE2-CE3 3.63Å; Y131-W138 AromaticContact CE2-CZ3 3.7Å; Y131-W138 HydrophobicContact CE2-CZ3 3.7Å; I134-W138 HydrophobicContact CB-CH2 4.49Å; I134-W138 HydrophobicContact CB-CZ3 4.39Å; I134-W138 HydrophobicContact CD1-CH2 3.74Å; I134-W138 HydrophobicContact CD1-CZ3 4.3Å; I134-W138 HydrophobicContact CG1-CH2 3.87Å; I134-W138 HydrophobicContact CG1-CZ3 3.9Å; I134-W138 WeakPolarHBondContact O-CZ3 3.39Å; R135-W138 PolarHBondContact O-N 2.84Å; R135-W138 VanDerWaalsContact O-N 3.12Å; W138-R140 VanDerWaalsContact C-N 3.28Å; W138-R140 PolarHBondContact O-N 3.11Å; W138-R155 PolarHBondContact O-NH2 3.03Å; W138-I483 HydrophobicContact CZ2-CG2 4.38Å; W138-V499 HydrophobicContact CZ2-CG2 4.07Å; W138-V499 PolarHBondContact NE1-O 2.88Å
139	N	90.4	Very high	92.2	Very high	129 Å²	129	48.9 Å²	48.9	69%	0.69	25%	0.249	S	C	*	.			trans	55.5	40.8	176	-50	-24.8	0	0	0	112.5	R155	N139-R155 PolarHBondContact O-NH1 3.13Å
140	R	91.3	Very high	92.5	Very high	75 Å²	75	49.4 Å²	49.4	28%	0.283	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-75.7	126.3	171	-71.2	-179.7	174.4	-97.9	-2.1	108.3	D136 W138 L491	D136-R140 VanDerWaalsContact O-CZ 3.28Å; D136-R140 PolarHBondContact O-NE 3.16Å; D136-R140 PolarHBondContact O-NH2 3Å; W138-R140 VanDerWaalsContact C-N 3.28Å; W138-R140 PolarHBondContact O-N 3.11Å; R140-L491 VanDerWaalsContact NH1-CD2 3.26Å
141	P	93.1	Very high	92.9	Very high	44 Å²	44	50.3 Å²	50.3	29%	0.286	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-67.6	139.3	176.8	-14.7	28.7	0	0	0	110.7	V153	P141-V153 HydrophobicContact CB-CB 4.06Å; P141-V153 HydrophobicContact CB-CG2 4.01Å; P141-V153 HydrophobicContact CG-CB 4.41Å; P141-V153 PolarHBondContact O-N 3.5Å
142	I	94.2	Very high	93.2	Very high	76 Å²	76	47.5 Å²	47.5	39%	0.39	25%	0.246	S	C	.	.	B	Isolated β-bridge	trans	-100	152.2	168.9	77.2	177.5	0	0	0	109	S144 P146 M150 D151 L152	I142-S144 WeakPolarHBondContact CD1-O 3.4Å; I142-P146 HydrophobicContact CD1-CB 4.07Å; I142-M150 HydrophobicContact CG2-SD 4.03Å; I142-D151 CarbonylContact C-O 3.51Å; I142-D151 VanDerWaalsContact CA-O 3.31Å; I142-D151 WeakPolarHBondContact CA-O 3.26Å; I142-L152 HydrophobicContact CB-CD2 4.4Å; I142-L152 HydrophobicContact CG2-CD2 3.67Å
143	C	94.3	Very high	93.4	Very high	70 Å²	70	48.4 Å²	48.4	47%	0.473	25%	0.252	S	S	.	.			trans	-126.5	11.7	175.4	54	0	0	0	0	113.9	D151 V153	C143-D151 PolarHBondContact N-O 3.19Å; C143-V153 HydrophobicContact CB-CG2 3.99Å
144	S	94.4	Very high	93.7	Very high	42 Å²	42	47.5 Å²	47.5	29%	0.294	25%	0.251	S	S	.	.	S	Bend	trans	-119	-178.8	167.8	67.8	0	0	0	0	111.1	I142 M150 D151	I142-S144 WeakPolarHBondContact CD1-O 3.4Å; S144-M150 VanDerWaalsContact OG-CA 3.26Å; S144-M150 WeakPolarHBondContact OG-CA 3.27Å; S144-D151 PolarHBondContact OG-N 3.44Å
145	V	92.5	Very high	93.8	Very high	49 Å²	49	47.3 Å²	47.3	30%	0.297	25%	0.248	S	C	.	.			trans	-61.5	152.1	159.7	-72.7	0	0	0	0	111.9	G147 N188	V145-G147 PolarHBondContact O-N 2.73Å; V145-N188 HydrophobicContact CG1-CB 3.73Å; V145-N188 HydrophobicContact CG2-CB 4.5Å
146	P	91.1	Very high	93.8	Very high	47 Å²	47	46.5 Å²	46.5	31%	0.305	25%	0.251	S	S	.	.	S	Bend	trans	-83.7	51	177.5	36.7	-36.7	0	0	0	112.2	I142 N176 N181 A186	I142-P146 HydrophobicContact CD1-CB 4.07Å; P146-N176 PolarHBondContact O-ND2 2.96Å; P146-N181 PolarHBondContact O-ND2 3.04Å; P146-N181 VanDerWaalsContact O-ND2 3.11Å; P146-A186 HydrophobicContact CG-CB 3.96Å
147	G	93.4	Very high	93.8	Very high	10 Å²	10	47.7 Å²	47.7	10%	0.103	26%	0.259	C	S	.	.	S	Bend	trans	-73.3	-164	177.7	0	0	0	0	0	113.2	V145 K149 N176	V145-G147 PolarHBondContact O-N 2.73Å; G147-K149 CarbonylContact C-O 3.43Å; G147-K149 PolarHBondContact O-N 2.92Å; G147-N176 VanDerWaalsContact O-CB 3.24Å; G147-N176 WeakPolarHBondContact O-CB 3.42Å; G147-N176 PolarHBondContact O-ND2 3.41Å
148	A	94.9	Very high	93.6	Very high	15 Å²	15	53.5 Å²	53.5	12%	0.124	29%	0.286	C	S	.	.	S	Bend	trans	-61.3	-25.4	175.4	0	0	0	0	0	113.5	N176 A519 M524	A148-N176 WeakPolarHBondContact O-CB 3.49Å; A148-N176 PolarHBondContact O-N 3.24Å; A148-A519 HydrophobicContact CB-CB 3.85Å; A148-A519 WeakPolarHBondContact CB-O 3.26Å; A148-M524 HydrophobicContact CB-SD 4.15Å
149	K	96.1	Very high	93.5	Very high	86 Å²	86	52.9 Å²	52.9	37%	0.374	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	159	164.2	-73.7	174.2	159.6	-175	0	109.6	G147 D173 V174 M524	G147-K149 CarbonylContact C-O 3.43Å; G147-K149 PolarHBondContact O-N 2.92Å; K149-D173 HydrophobicContact CD-CB 4.19Å; K149-D173 VanDerWaalsContact CD-OD1 3.31Å; K149-D173 WeakPolarHBondContact CD-OD1 3.19Å; K149-D173 WeakPolarHBondContact CE-OD1 3.47Å; K149-D173 IonicContact NZ-OD1 3.45Å; K149-D173 PolarHBondContact NZ-OD1 2.61Å; K149-V174 CarbonylContact C-O 3.57Å; K149-V174 VanDerWaalsContact CA-O 3.29Å; K149-V174 WeakPolarHBondContact CA-O 3.47Å; K149-M524 HydrophobicContact CD-CE 4.49Å
150	M	95.9	Very high	93.3	Very high	22 Å²	22	54.3 Å²	54.3	11%	0.108	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	150.4	173.2	60.7	-176.1	169.9	0	0	112.3	I142 S144 L152 V174 N176	I142-M150 HydrophobicContact CG2-SD 4.03Å; S144-M150 VanDerWaalsContact OG-CA 3.26Å; S144-M150 WeakPolarHBondContact OG-CA 3.27Å; M150-L152 HydrophobicContact CE-CD2 4.12Å; M150-L152 HydrophobicContact CG-CD2 4.06Å; M150-L152 HydrophobicContact SD-CD2 3.94Å; M150-V174 HydrophobicContact CE-CG1 4.41Å; M150-V174 HydrophobicContact CG-CB 4.44Å; M150-V174 PolarHBondContact N-O 2.94Å; M150-V174 VanDerWaalsContact O-CB 3.28Å; M150-V174 WeakPolarHBondContact O-CB 3.22Å; M150-V174 PolarHBondContact O-N 3.21Å; M150-N176 HydrophobicContact CE-CB 4.19Å; M150-N176 HydrophobicContact CG-CB 4.17Å; M150-N176 HydrophobicContact SD-CB 4.23Å
151	D	96.7	Very high	93.3	Very high	35 Å²	35	51.3 Å²	51.3	19%	0.187	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	128.7	171.8	-78.7	10.5	0	0	0	109.6	I142 C143 S144 V170 V171 K172 D173	I142-D151 CarbonylContact C-O 3.51Å; I142-D151 VanDerWaalsContact CA-O 3.31Å; I142-D151 WeakPolarHBondContact CA-O 3.26Å; C143-D151 PolarHBondContact N-O 3.19Å; S144-D151 PolarHBondContact OG-N 3.44Å; D151-V170 HydrophobicContact CB-CG1 3.66Å; D151-V171 WeakPolarHBondContact CA-O 3.44Å; D151-K172 VanDerWaalsContact OD1-CA 3.23Å; D151-K172 WeakPolarHBondContact OD1-CA 3.43Å; D151-D173 PolarHBondContact OD1-N 2.95Å
152	L	96.2	Very high	93	Very high	9 Å²	9	51.5 Å²	51.5	5%	0.047	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	135.1	-179.1	-58.8	-174.8	0	0	0	111.5	I142 M150 E154 V170 V171 V174 L491	I142-L152 HydrophobicContact CB-CD2 4.4Å; I142-L152 HydrophobicContact CG2-CD2 3.67Å; M150-L152 HydrophobicContact CE-CD2 4.12Å; M150-L152 HydrophobicContact CG-CD2 4.06Å; M150-L152 HydrophobicContact SD-CD2 3.94Å; L152-E154 PolarHBondContact O-N 3.15Å; L152-V170 CarbonylContact O-C 3.6Å; L152-V170 WeakPolarHBondContact O-CA 3.18Å; L152-V171 HydrophobicContact CB-CB 4.42Å; L152-V171 PolarHBondContact N-O 2.62Å; L152-V171 PolarHBondContact O-N 3.18Å; L152-V174 HydrophobicContact CD1-CB 4.46Å; L152-V174 HydrophobicContact CD1-CG1 4.18Å; L152-V174 HydrophobicContact CD1-CG2 4.15Å; L152-V174 HydrophobicContact CG-CB 4.44Å; L152-V174 HydrophobicContact CG-CG2 4.14Å; L152-L491 HydrophobicContact CD1-CD1 3.76Å
153	V	95.6	Very high	92.9	Very high	31 Å²	31	51.2 Å²	51.2	19%	0.188	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	121.2	170.8	-177.4	0	0	0	0	108.9	P141 C143 H166	P141-V153 HydrophobicContact CB-CB 4.06Å; P141-V153 HydrophobicContact CB-CG2 4.01Å; P141-V153 HydrophobicContact CG-CB 4.41Å; P141-V153 PolarHBondContact O-N 3.5Å; C143-V153 HydrophobicContact CB-CG2 3.99Å; V153-H166 HydrophobicContact CG1-CB 4.29Å
154	E	94.4	Very high	92.8	Very high	61 Å²	61	49.9 Å²	49.9	29%	0.285	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	134.2	176.4	-177.2	-175.4	-114.6	0	0	110.2	L152 H166 T167 K169 V171	L152-E154 PolarHBondContact O-N 3.15Å; E154-H166 WeakPolarHBondContact O-CA 3.32Å; E154-T167 WeakPolarHBondContact CB-OG1 3.48Å; E154-T167 HydrophobicContact CG-CG2 4.01Å; E154-T167 WeakPolarHBondContact CG-OG1 3.39Å; E154-T167 PolarHBondContact O-N 3.27Å; E154-T167 VanDerWaalsContact OE2-CB 3.29Å; E154-T167 WeakPolarHBondContact OE2-CB 3.44Å; E154-T167 WeakPolarHBondContact OE2-CG2 3.27Å; E154-T167 PolarHBondContact OE2-OG1 2.75Å; E154-K169 HydrophobicContact CB-CB 4.11Å; E154-K169 WeakPolarHBondContact CB-O 3.09Å; E154-K169 PolarHBondContact N-O 3.35Å; E154-K169 WeakPolarHBondContact OE2-CD 3.48Å; E154-V171 HydrophobicContact CB-CG2 4.35Å
155	R	94.4	Very high	92.8	Very high	29 Å²	29	52.7 Å²	52.7	11%	0.109	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	141.7	176.6	72.1	-176	-174.1	-176	-4.9	110.8	D136 W138 N139 F164 E165	D136-R155 PolarHBondContact O-NH2 3.12Å; W138-R155 PolarHBondContact O-NH2 3.03Å; N139-R155 PolarHBondContact O-NH1 3.13Å; R155-F164 HydrophobicContact CB-CB 4.33Å; R155-F164 HydrophobicContact CG-CB 4.4Å; R155-F164 HydrophobicContact CG-CD1 3.85Å; R155-F164 HydrophobicContact CG-CG 4.35Å; R155-E165 CarbonylContact C-O 3.53Å; R155-E165 WeakPolarHBondContact CA-O 3.45Å
156	V	93.3	Very high	92.9	Very high	56 Å²	56	56.1 Å²	56.1	34%	0.339	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	169.1	174.5	-68.7	0	0	0	0	110.4	H158 F164 E165 T167	V156-H158 WeakPolarHBondContact CG2-NE2 3.35Å; V156-F164 VanDerWaalsContact O-CA 3.28Å; V156-F164 WeakPolarHBondContact O-CA 3.47Å; V156-E165 HydrophobicContact CG2-CB 4.28Å; V156-E165 PolarHBondContact N-O 2.71Å; V156-E165 PolarHBondContact O-N 2.87Å; V156-T167 HydrophobicContact CB-CG2 4.33Å; V156-T167 HydrophobicContact CG1-CG2 3.66Å; V156-T167 HydrophobicContact CG2-CG2 3.89Å
157	T	92	Very high	93.1	Very high	40 Å²	40	56.3 Å²	56.3	25%	0.245	28%	0.277	C	S	.	.			trans	-150.9	128.7	175.6	177.6	0	0	0	0	110.1	N159 N161 T163 F164	T157-N159 PolarHBondContact OG1-OD1 3.49Å; T157-N159 VanDerWaalsContact OG1-OD1 3.07Å; T157-N161 WeakPolarHBondContact CG2-OD1 3.37Å; T157-N161 VanDerWaalsContact OG1-CA 3.26Å; T157-N161 WeakPolarHBondContact OG1-CA 3.33Å; T157-N161 PolarHBondContact OG1-N 2.88Å; T157-T163 WeakPolarHBondContact CB-O 3.34Å; T157-T163 PolarHBondContact OG1-O 2.87Å; T157-F164 HydrophobicContact CG2-CD1 4.17Å; T157-F164 HydrophobicContact CG2-CE1 3.86Å
158	H	90.4	Very high	93.1	Very high	142 Å²	142	59.3 Å²	59.3	66%	0.657	31%	0.309	S	S	*	.	S	Bend	trans	-101.8	4.7	-177.6	-56.7	-66.6	0	0	0	112.2	V156 E165	V156-H158 WeakPolarHBondContact CG2-NE2 3.35Å; H158-E165 IonicContact CD2-OE1 2.62Å; H158-E165 IonicContact CD2-OE2 3.89Å
159	N	88.3	Confident	93.1	Very high	43 Å²	43	65.1 Å²	65.1	23%	0.23	33%	0.331	C	S	.	.	S	Bend	trans	-142.9	51	-169.8	61.4	12	0	0	0	113	T157 N161 W162 T163	T157-N159 PolarHBondContact OG1-OD1 3.49Å; T157-N159 VanDerWaalsContact OG1-OD1 3.07Å; N159-N161 VanDerWaalsContact C-N 3.28Å; N159-N161 PolarHBondContact O-N 2.91Å; N159-W162 HydrophobicContact CB-CB 4.45Å; N159-W162 WeakPolarHBondContact O-CB 3.42Å; N159-W162 PolarHBondContact O-N 3.37Å; N159-W162 PolarHBondContact OD1-N 3.16Å; N159-T163 PolarHBondContact ND2-OG1 3.45Å; N159-T163 PolarHBondContact OD1-N 2.97Å; N159-T163 PolarHBondContact OD1-O 3.37Å; N159-T163 PolarHBondContact OD1-OG1 2.99Å
160	Y	86.2	Confident	93.1	Very high	159 Å²	159	64 Å²	64	62%	0.624	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.9	41.4	175.6	-81.5	-38	0	0	0	113.7	R133 W162	R133-Y160 VanDerWaalsContact NE-CB 3.27Å; R133-Y160 PolarHBondContact NH1-OH 3.45Å; R133-Y160 PolarHBondContact NH2-OH 3.5Å; Y160-W162 PolarHBondContact O-N 2.98Å
161	N	90.9	Very high	93.1	Very high	12 Å²	12	65 Å²	65	6%	0.064	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.7	12.8	-178.9	-44.9	-29.5	0	0	0	115.2	M132 R135 D136 T157 N159 F164	M132-N161 WeakPolarHBondContact CE-O 3.27Å; M132-N161 VanDerWaalsContact O-CB 3.31Å; M132-N161 WeakPolarHBondContact O-CB 3.4Å; M132-N161 PolarHBondContact O-ND2 2.94Å; R135-N161 HydrophobicContact CB-CB 3.92Å; R135-N161 PolarHBondContact N-ND2 2.84Å; R135-N161 PolarHBondContact NH1-O 3.33Å; D136-N161 PolarHBondContact N-ND2 3.42Å; D136-N161 PolarHBondContact OD1-ND2 3.1Å; T157-N161 WeakPolarHBondContact CG2-OD1 3.37Å; T157-N161 VanDerWaalsContact OG1-CA 3.26Å; T157-N161 WeakPolarHBondContact OG1-CA 3.33Å; T157-N161 PolarHBondContact OG1-N 2.88Å; N159-N161 VanDerWaalsContact C-N 3.28Å; N159-N161 PolarHBondContact O-N 2.91Å; N161-F164 HydrophobicContact CB-CE1 4.29Å; N161-F164 HydrophobicContact CB-CE2 4.19Å; N161-F164 HydrophobicContact CB-CZ 3.62Å
162	W	88.4	Confident	93.1	Very high	47 Å²	47	69.4 Å²	69.4	18%	0.178	36%	0.356	C	S	.	.	S	Bend	trans	-62.4	-48.3	175.8	-77.3	115.8	0	0	0	111.2	H104 V105 R128 M132 R135 N159 Y160	H104-W162 HydrophobicContact CB-CB 4.34Å; H104-W162 HydrophobicContact CB-CD2 3.69Å; H104-W162 HydrophobicContact CB-CE3 4.31Å; H104-W162 HydrophobicContact CB-CG 3.64Å; H104-W162 AromaticContact CD2-CD1 3.69Å; H104-W162 AromaticContact CD2-NE1 3.82Å; H104-W162 AromaticContact CG-CD1 3.74Å; V105-W162 HydrophobicContact CG2-CH2 3.22Å; V105-W162 HydrophobicContact CG2-CZ2 4.05Å; V105-W162 HydrophobicContact CG2-CZ3 3.68Å; R128-W162 HydrophobicContact CG-CH2 4.27Å; R128-W162 HydrophobicContact CG-CZ2 4.36Å; M132-W162 HydrophobicContact CB-CZ2 4.36Å; M132-W162 HydrophobicContact CE-CB 4.47Å; M132-W162 HydrophobicContact CE-CD2 3.8Å; M132-W162 HydrophobicContact CE-CE3 3.57Å; M132-W162 HydrophobicContact CE-CG 4.24Å; M132-W162 HydrophobicContact CE-CZ3 3.99Å; M132-W162 HydrophobicContact CG-CD2 4.49Å; M132-W162 HydrophobicContact CG-CE3 4.24Å; M132-W162 HydrophobicContact CG-CH2 3.59Å; M132-W162 HydrophobicContact CG-CZ2 3.92Å; M132-W162 HydrophobicContact CG-CZ3 3.79Å; M132-W162 HydrophobicContact SD-CE3 4.21Å; M132-W162 HydrophobicContact SD-CH2 4.43Å; M132-W162 HydrophobicContact SD-CZ3 4.02Å; R135-W162 PolarHBondContact NH1-O 3.21Å; N159-W162 HydrophobicContact CB-CB 4.45Å; N159-W162 WeakPolarHBondContact O-CB 3.42Å; N159-W162 PolarHBondContact O-N 3.37Å; N159-W162 PolarHBondContact OD1-N 3.16Å; Y160-W162 PolarHBondContact O-N 2.98Å
163	T	90.7	Very high	93.1	Very high	70 Å²	70	73.1 Å²	73.1	43%	0.429	38%	0.376	S	S	.	.	S	Bend	trans	-117.7	163.5	165.8	60.5	0	0	0	0	110.5	T157 N159	T157-T163 WeakPolarHBondContact CB-O 3.34Å; T157-T163 PolarHBondContact OG1-O 2.87Å; N159-T163 PolarHBondContact ND2-OG1 3.45Å; N159-T163 PolarHBondContact OD1-N 2.97Å; N159-T163 PolarHBondContact OD1-O 3.37Å; N159-T163 PolarHBondContact OD1-OG1 2.99Å
164	F	93.8	Very high	93.2	Very high	43 Å²	43	71.6 Å²	71.6	19%	0.189	37%	0.367	C	S	.	.			trans	-128.1	142.1	168.6	-69	-81.4	0	0	0	108.8	R135 D136 R155 V156 T157 N161	R135-F164 HydrophobicContact CG-CE2 4.13Å; R135-F164 HydrophobicContact CG-CZ 4.43Å; D136-F164 HydrophobicContact CB-CE1 3.9Å; D136-F164 HydrophobicContact CB-CZ 3.96Å; R155-F164 HydrophobicContact CB-CB 4.33Å; R155-F164 HydrophobicContact CG-CB 4.4Å; R155-F164 HydrophobicContact CG-CD1 3.85Å; R155-F164 HydrophobicContact CG-CG 4.35Å; V156-F164 VanDerWaalsContact O-CA 3.28Å; V156-F164 WeakPolarHBondContact O-CA 3.47Å; T157-F164 HydrophobicContact CG2-CD1 4.17Å; T157-F164 HydrophobicContact CG2-CE1 3.86Å; N161-F164 HydrophobicContact CB-CE1 4.29Å; N161-F164 HydrophobicContact CB-CE2 4.19Å; N161-F164 HydrophobicContact CB-CZ 3.62Å
165	E	94.6	Very high	93.3	Very high	100 Å²	100	69.4 Å²	69.4	47%	0.467	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	130.6	175.4	-73.5	154.2	-124	0	0	107.9	R155 V156 H158	R155-E165 CarbonylContact C-O 3.53Å; R155-E165 WeakPolarHBondContact CA-O 3.45Å; V156-E165 HydrophobicContact CG2-CB 4.28Å; V156-E165 PolarHBondContact N-O 2.71Å; V156-E165 PolarHBondContact O-N 2.87Å; H158-E165 IonicContact CD2-OE1 2.62Å; H158-E165 IonicContact CD2-OE2 3.89Å
166	H	94.3	Very high	93.5	Very high	122 Å²	122	68.4 Å²	68.4	57%	0.565	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.6	131.1	176.5	-60.8	164.4	0	0	0	109.1	V153 E154 G168	V153-H166 HydrophobicContact CG1-CB 4.29Å; E154-H166 WeakPolarHBondContact O-CA 3.32Å; H166-G168 VanDerWaalsContact C-N 3.26Å; H166-G168 PolarHBondContact O-N 2.91Å
167	T	93.9	Very high	93.7	Very high	50 Å²	50	65.8 Å²	65.8	31%	0.307	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	-3.8	-176.3	64.2	0	0	0	0	113.6	E154 V156 K169	E154-T167 WeakPolarHBondContact CB-OG1 3.48Å; E154-T167 HydrophobicContact CG-CG2 4.01Å; E154-T167 WeakPolarHBondContact CG-OG1 3.39Å; E154-T167 PolarHBondContact O-N 3.27Å; E154-T167 VanDerWaalsContact OE2-CB 3.29Å; E154-T167 WeakPolarHBondContact OE2-CB 3.44Å; E154-T167 WeakPolarHBondContact OE2-CG2 3.27Å; E154-T167 PolarHBondContact OE2-OG1 2.75Å; V156-T167 HydrophobicContact CB-CG2 4.33Å; V156-T167 HydrophobicContact CG1-CG2 3.66Å; V156-T167 HydrophobicContact CG2-CG2 3.89Å; T167-K169 PolarHBondContact O-N 3.23Å; T167-K169 PolarHBondContact OG1-N 2.93Å
168	G	93.3	Very high	93.8	Very high	74 Å²	74	64.6 Å²	64.6	76%	0.763	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	75.9	-4.7	-168.9	0	0	0	0	0	114.2	H166	H166-G168 VanDerWaalsContact C-N 3.26Å; H166-G168 PolarHBondContact O-N 2.91Å
169	K	95.5	Very high	93.9	Very high	137 Å²	137	59.3 Å²	59.3	60%	0.596	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91	159.5	177.1	-54.2	-173.2	-163.5	160.8	0	112	E154 T167	E154-K169 HydrophobicContact CB-CB 4.11Å; E154-K169 WeakPolarHBondContact CB-O 3.09Å; E154-K169 PolarHBondContact N-O 3.35Å; E154-K169 WeakPolarHBondContact OE2-CD 3.48Å; T167-K169 PolarHBondContact O-N 3.23Å; T167-K169 PolarHBondContact OG1-N 2.93Å
170	V	96.8	Very high	94.3	Very high	63 Å²	63	59.9 Å²	59.9	38%	0.382	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	128.3	175.9	176.8	0	0	0	0	108.7	D151 L152 K172	D151-V170 HydrophobicContact CB-CG1 3.66Å; L152-V170 CarbonylContact O-C 3.6Å; L152-V170 WeakPolarHBondContact O-CA 3.18Å; V170-K172 HydrophobicContact CG1-CG 3.95Å
171	V	95.9	Very high	94.8	Very high	42 Å²	42	52.7 Å²	52.7	26%	0.255	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	107.5	166.6	-172.8	0	0	0	0	106.8	D151 L152 E154 V174	D151-V171 WeakPolarHBondContact CA-O 3.44Å; L152-V171 HydrophobicContact CB-CB 4.42Å; L152-V171 PolarHBondContact N-O 2.62Å; L152-V171 PolarHBondContact O-N 3.18Å; E154-V171 HydrophobicContact CB-CG2 4.35Å; V171-V174 HydrophobicContact CB-CG2 4.32Å; V171-V174 HydrophobicContact CG1-CG2 3.71Å
172	K	96.3	Very high	95.1	Very high	128 Å²	128	52.1 Å²	52.1	56%	0.557	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.8	162.5	-173.6	-67.7	-161.6	164.2	-164.3	0	113.6	D151 V170 V174	D151-K172 VanDerWaalsContact OD1-CA 3.23Å; D151-K172 WeakPolarHBondContact OD1-CA 3.43Å; V170-K172 HydrophobicContact CG1-CG 3.95Å; K172-V174 PolarHBondContact O-N 2.88Å
173	D	95.1	Very high	95.5	Very high	86 Å²	86	49.9 Å²	49.9	46%	0.46	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	60.1	21.2	164.2	-81.2	-87.5	0	0	0	115	K149 D151 I175	K149-D173 HydrophobicContact CD-CB 4.19Å; K149-D173 VanDerWaalsContact CD-OD1 3.31Å; K149-D173 WeakPolarHBondContact CD-OD1 3.19Å; K149-D173 WeakPolarHBondContact CE-OD1 3.47Å; K149-D173 IonicContact NZ-OD1 3.45Å; K149-D173 PolarHBondContact NZ-OD1 2.61Å; D151-D173 PolarHBondContact OD1-N 2.95Å; D173-I175 PolarHBondContact O-N 2.84Å
174	V	97.8	Very high	95.8	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	118.7	-175.6	179.3	0	0	0	0	109.7	K149 M150 L152 V171 K172 N176 L491 N494	K149-V174 CarbonylContact C-O 3.57Å; K149-V174 VanDerWaalsContact CA-O 3.29Å; K149-V174 WeakPolarHBondContact CA-O 3.47Å; M150-V174 HydrophobicContact CE-CG1 4.41Å; M150-V174 HydrophobicContact CG-CB 4.44Å; M150-V174 PolarHBondContact N-O 2.94Å; M150-V174 VanDerWaalsContact O-CB 3.28Å; M150-V174 WeakPolarHBondContact O-CB 3.22Å; M150-V174 PolarHBondContact O-N 3.21Å; L152-V174 HydrophobicContact CD1-CB 4.46Å; L152-V174 HydrophobicContact CD1-CG1 4.18Å; L152-V174 HydrophobicContact CD1-CG2 4.15Å; L152-V174 HydrophobicContact CG-CB 4.44Å; L152-V174 HydrophobicContact CG-CG2 4.14Å; V171-V174 HydrophobicContact CB-CG2 4.32Å; V171-V174 HydrophobicContact CG1-CG2 3.71Å; K172-V174 PolarHBondContact O-N 2.88Å; V174-N176 PolarHBondContact O-N 2.91Å; V174-L491 HydrophobicContact CG1-CD1 4.26Å; V174-N494 CarbonylContact C-O 3.3Å; V174-N494 VanDerWaalsContact CA-O 3.3Å; V174-N494 WeakPolarHBondContact CA-O 3.26Å; V174-N494 WeakPolarHBondContact CG1-O 3.4Å
175	I	98.1	Very high	95.9	Very high	15 Å²	15	44.9 Å²	44.9	8%	0.077	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	120.3	-179.9	-56.5	178.7	0	0	0	108.6	D173 M177 N494 I495 G496 M524 T527	D173-I175 PolarHBondContact O-N 2.84Å; I175-M177 HydrophobicContact CG2-CG 4.11Å; I175-M177 HydrophobicContact CG2-SD 4.03Å; I175-M177 PolarHBondContact O-N 3.09Å; I175-N494 PolarHBondContact N-O 3.2Å; I175-I495 HydrophobicContact CB-CG1 4.17Å; I175-I495 HydrophobicContact CD1-CG1 4.32Å; I175-G496 PolarHBondContact O-N 3.31Å; I175-M524 HydrophobicContact CG2-CB 4.39Å; I175-T527 HydrophobicContact CD1-CG2 3.84Å
176	N	97.2	Very high	95.8	Very high	8 Å²	8	40.9 Å²	40.9	4%	0.043	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	91	-169.9	-175.1	3.8	0	0	0	110.7	P146 G147 A148 M150 V174 G178 S179 H520	P146-N176 PolarHBondContact O-ND2 2.96Å; G147-N176 VanDerWaalsContact O-CB 3.24Å; G147-N176 WeakPolarHBondContact O-CB 3.42Å; G147-N176 PolarHBondContact O-ND2 3.41Å; A148-N176 WeakPolarHBondContact O-CB 3.49Å; A148-N176 PolarHBondContact O-N 3.24Å; M150-N176 HydrophobicContact CE-CB 4.19Å; M150-N176 HydrophobicContact CG-CB 4.17Å; M150-N176 HydrophobicContact SD-CB 4.23Å; V174-N176 PolarHBondContact O-N 2.91Å; N176-G178 PolarHBondContact OD1-N 2.92Å; N176-S179 WeakPolarHBondContact ND2-CB 3.39Å; N176-S179 WeakPolarHBondContact OD1-CB 3.19Å; N176-S179 PolarHBondContact OD1-N 3.35Å; N176-H520 PolarHBondContact O-CE1 2.73Å; N176-H520 PolarHBondContact O-NE2 3.31Å
177	M	97.4	Very high	95.6	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.218	C	C	.	.			trans	-97.4	14.4	176.6	-56.5	-62.4	-66.6	0	0	112.3	I175 F453 I495 G496 F514 C515 H520 L525 A528	I175-M177 HydrophobicContact CG2-CG 4.11Å; I175-M177 HydrophobicContact CG2-SD 4.03Å; I175-M177 PolarHBondContact O-N 3.09Å; M177-F453 HydrophobicContact CE-CD2 4.21Å; M177-F453 HydrophobicContact CE-CE1 4.24Å; M177-F453 HydrophobicContact CE-CE2 3.69Å; M177-F453 HydrophobicContact CE-CZ 3.71Å; M177-I495 HydrophobicContact CG-CG2 4.03Å; M177-G496 CarbonylContact C-O 3.57Å; M177-G496 WeakPolarHBondContact CA-O 3.1Å; M177-G496 PolarHBondContact N-O 3.28Å; M177-F514 HydrophobicContact CB-CD1 3.74Å; M177-F514 HydrophobicContact CB-CE1 4.39Å; M177-F514 CarbonylContact O-C 3.52Å; M177-F514 VanDerWaalsContact O-CA 3.29Å; M177-F514 WeakPolarHBondContact O-CA 3.41Å; M177-C515 PolarHBondContact O-N 3.43Å; M177-H520 VanDerWaalsContact SD-CE1 3.59Å; M177-L525 HydrophobicContact CE-CD2 3.74Å; M177-L525 HydrophobicContact SD-CD2 4.28Å; M177-A528 HydrophobicContact CE-CB 4.47Å; M177-A528 HydrophobicContact CG-CB 4.28Å; M177-A528 HydrophobicContact SD-CB 4.32Å
178	G	94.1	Very high	95.4	Very high	15 Å²	15	41.5 Å²	41.5	16%	0.155	23%	0.232	C	C	.	.	S	Bend	trans	-118.6	-11	-174.2	0	0	0	0	0	115.7	N176	N176-G178 PolarHBondContact OD1-N 2.92Å
179	S	94	Very high	95.3	Very high	31 Å²	31	42.6 Å²	42.6	22%	0.217	22%	0.224	C	C	.	.			trans	-84.7	146.6	-177.7	-178.5	0	0	0	0	112.6	N176 N181 C515	N176-S179 WeakPolarHBondContact ND2-CB 3.39Å; N176-S179 WeakPolarHBondContact OD1-CB 3.19Å; N176-S179 PolarHBondContact OD1-N 3.35Å; S179-N181 PolarHBondContact O-N 2.85Å; S179-N181 WeakPolarHBondContact OG-CB 3.42Å; S179-N181 PolarHBondContact OG-N 3.14Å; S179-C515 WeakPolarHBondContact O-CB 3.48Å
180	Y	95.6	Very high	95.1	Very high	55 Å²	55	37.3 Å²	37.3	22%	0.216	21%	0.208	C	C	.	.			trans	-87	20.8	173	-55.1	-42.9	0	0	0	113.2	Y182 H351 K383 R513 C515	Y180-Y182 WeakPolarHBondContact CD1-OH 3.42Å; Y180-Y182 WeakPolarHBondContact O-CD2 3.15Å; Y180-Y182 PolarHBondContact O-N 3.49Å; Y180-H351 AromaticContact CD1-CE1 3.83Å; Y180-H351 AromaticContact CE1-CE1 3.58Å; Y180-H351 AromaticContact CE2-CE1 3.84Å; Y180-H351 AromaticContact CZ-CE1 3.57Å; Y180-K383 HydrophobicContact CD2-CD 3.66Å; Y180-K383 HydrophobicContact CD2-CG 3.97Å; Y180-K383 HydrophobicContact CE2-CD 4.43Å; Y180-K383 HydrophobicContact CG-CD 3.78Å; Y180-K383 HydrophobicContact CG-CG 4.12Å; Y180-K383 CarbonylContact O-C 3.48Å; Y180-K383 WeakPolarHBondContact O-CA 3.24Å; Y180-K383 WeakPolarHBondContact O-CB 3.45Å; Y180-R513 PolarHBondContact OH-NH2 3.18Å; Y180-R513 VanDerWaalsContact OH-NH2 3.09Å; Y180-C515 HydrophobicContact CD1-CB 4.33Å; Y180-C515 VanDerWaalsContact CE1-SG 3.57Å
181	N	96.3	Very high	94.9	Very high	8 Å²	8	38.2 Å²	38.2	4%	0.043	22%	0.215	C	C	.	.			trans	-74.5	61.1	177.6	-172.8	14.9	0	0	0	110.7	P146 S179 L183 G184 F185 A186 S517	P146-N181 PolarHBondContact O-ND2 3.04Å; P146-N181 VanDerWaalsContact O-ND2 3.11Å; S179-N181 PolarHBondContact O-N 2.85Å; S179-N181 WeakPolarHBondContact OG-CB 3.42Å; S179-N181 PolarHBondContact OG-N 3.14Å; N181-L183 PolarHBondContact O-N 3.36Å; N181-G184 PolarHBondContact O-N 3.05Å; N181-G184 WeakPolarHBondContact OD1-CA 3.18Å; N181-G184 PolarHBondContact OD1-N 3.31Å; N181-F185 PolarHBondContact OD1-N 3.36Å; N181-A186 PolarHBondContact OD1-N 2.98Å; N181-A186 VanDerWaalsContact OD1-N 3.12Å; N181-S517 WeakPolarHBondContact O-CB 3.31Å; N181-S517 PolarHBondContact O-OG 3.5Å
182	Y	97.8	Very high	94.9	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-42.1	-165.7	-65.8	-61.8	0	0	0	113.6	Y180 H351 A355 K383 S384 P471 V472 C515 V516 S517 A518	Y180-Y182 WeakPolarHBondContact CD1-OH 3.42Å; Y180-Y182 WeakPolarHBondContact O-CD2 3.15Å; Y180-Y182 PolarHBondContact O-N 3.49Å; Y182-H351 AromaticContact CE2-ND1 3.93Å; Y182-H351 AromaticContact CZ-ND1 3.84Å; Y182-H351 PolarHBondContact OH-ND1 3.21Å; Y182-A355 HydrophobicContact CD2-CB 4.1Å; Y182-A355 HydrophobicContact CG-CB 4.12Å; Y182-K383 HydrophobicContact CD2-CB 4.17Å; Y182-K383 HydrophobicContact CE2-CB 4.17Å; Y182-K383 HydrophobicContact CE2-CD 4.16Å; Y182-S384 WeakPolarHBondContact CD2-OG 3.46Å; Y182-P471 HydrophobicContact CD1-CB 3.83Å; Y182-P471 HydrophobicContact CD1-CG 3.72Å; Y182-P471 HydrophobicContact CE1-CB 3.88Å; Y182-P471 HydrophobicContact CE1-CG 3.68Å; Y182-P471 HydrophobicContact CG-CG 4.5Å; Y182-V472 VanDerWaalsContact OH-CG2 3.24Å; Y182-V472 WeakPolarHBondContact OH-CG2 3.23Å; Y182-C515 HydrophobicContact CE1-CB 4.46Å; Y182-V516 WeakPolarHBondContact CD1-O 3.28Å; Y182-S517 CarbonylContact O-C 3.44Å; Y182-S517 WeakPolarHBondContact O-CA 3.05Å; Y182-S517 PolarHBondContact O-OG 3.19Å; Y182-A518 PolarHBondContact O-N 2.97Å
183	L	97.4	Very high	94.9	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	6.4	175.5	-64.9	178.5	0	0	0	113.5	N181 F185 G354 I430 R442 L443 L446	N181-L183 PolarHBondContact O-N 3.36Å; L183-F185 HydrophobicContact CB-CD2 3.63Å; L183-F185 HydrophobicContact CB-CE2 3.68Å; L183-F185 HydrophobicContact CD1-CD2 4.44Å; L183-F185 HydrophobicContact CD1-CE2 3.97Å; L183-F185 PolarHBondContact O-N 2.84Å; L183-G354 WeakPolarHBondContact CD1-O 3.36Å; L183-G354 VanDerWaalsContact CD2-O 3.32Å; L183-G354 WeakPolarHBondContact CD2-O 3.26Å; L183-G354 WeakPolarHBondContact CG-O 3.47Å; L183-I430 HydrophobicContact CD1-CD1 3.51Å; L183-I430 HydrophobicContact CD1-CG1 3.66Å; L183-R442 HydrophobicContact CD2-CB 4.09Å; L183-R442 WeakPolarHBondContact O-CD 3.15Å; L183-R442 PolarHBondContact O-NH1 2.84Å; L183-L443 HydrophobicContact CD1-CD2 4.41Å; L183-L443 HydrophobicContact CD2-CD2 3.97Å; L183-L443 HydrophobicContact CD2-CG 4.11Å; L183-L446 HydrophobicContact CD2-CD2 4.08Å
184	G	96	Very high	94.9	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	19%	0.187	C	C	.	.			trans	69.4	23.4	176.2	0	0	0	0	0	115	N181 E187 R442	N181-G184 PolarHBondContact O-N 3.05Å; N181-G184 WeakPolarHBondContact OD1-CA 3.18Å; N181-G184 PolarHBondContact OD1-N 3.31Å; G184-E187 WeakPolarHBondContact O-CG 3.29Å; G184-R442 PolarHBondContact O-NH1 2.87Å
185	F	96.2	Very high	94.9	Very high	9 Å²	9	32.5 Å²	32.5	4%	0.039	20%	0.195	C	C	.	.			trans	-81	-9.5	-178.4	-75.9	-68.8	0	0	0	114.9	N181 L183 E187 S384 Q422 T429 I430	N181-F185 PolarHBondContact OD1-N 3.36Å; L183-F185 HydrophobicContact CB-CD2 3.63Å; L183-F185 HydrophobicContact CB-CE2 3.68Å; L183-F185 HydrophobicContact CD1-CD2 4.44Å; L183-F185 HydrophobicContact CD1-CE2 3.97Å; L183-F185 PolarHBondContact O-N 2.84Å; F185-E187 VanDerWaalsContact C-N 3.3Å; F185-E187 PolarHBondContact O-N 3.46Å; F185-S384 WeakPolarHBondContact CD2-O 3.4Å; F185-Q422 PolarHBondContact O-NE2 3.46Å; F185-T429 HydrophobicContact CE1-CG2 3.91Å; F185-T429 HydrophobicContact CZ-CG2 3.75Å; F185-I430 HydrophobicContact CE2-CD1 3.89Å; F185-I430 HydrophobicContact CE2-CG1 3.71Å; F185-I430 HydrophobicContact CZ-CG1 4.15Å
186	A	92.8	Very high	94.8	Very high	15 Å²	15	32.5 Å²	32.5	12%	0.124	20%	0.197	C	C	.	.			trans	-81.3	74.8	172.9	0	0	0	0	0	111.6	P146 N181	P146-A186 HydrophobicContact CG-CB 3.96Å; N181-A186 PolarHBondContact OD1-N 2.98Å; N181-A186 VanDerWaalsContact OD1-N 3.12Å
187	E	90.9	Very high	94.8	Very high	73 Å²	73	36.8 Å²	36.8	34%	0.341	22%	0.219	S	C	.	.			trans	-124.5	160.1	-177.5	-61.5	-179.2	119	0	0	110	G184 F185 R442	G184-E187 WeakPolarHBondContact O-CG 3.29Å; F185-E187 VanDerWaalsContact C-N 3.3Å; F185-E187 PolarHBondContact O-N 3.46Å; E187-R442 IonicContact OE2-CZ 3.51Å; E187-R442 IonicContact OE2-NH1 2.76Å; E187-R442 PolarHBondContact OE2-NH1 2.91Å; E187-R442 IonicContact OE2-NH2 2.85Å; E187-R442 PolarHBondContact OE2-NH2 3.24Å
188	N	89.4	Confident	94.7	Very high	113 Å²	113	43.2 Å²	43.2	60%	0.604	25%	0.249	S	C	*	.	S	Bend	trans	-101.2	11.7	179.6	63.8	-51	0	0	0	113.9	V145	V145-N188 HydrophobicContact CG1-CB 3.73Å; V145-N188 HydrophobicContact CG2-CB 4.5Å
189	T	90.7	Very high	94.9	Very high	96 Å²	96	43.1 Å²	43.1	59%	0.589	25%	0.246	S	C	*	.	S	Bend	trans	-144.8	157.7	-177.3	50.9	0	0	0	0	110.2
190	G	91.6	Very high	95	Very high	26 Å²	26	44.4 Å²	44.4	27%	0.268	25%	0.252	S	S	.	.	S	Bend	trans	82.6	-179.3	177	0	0	0	0	0	113.6	C192 A193 D194	G190-C192 VanDerWaalsContact C-N 3.25Å; G190-C192 PolarHBondContact O-N 2.89Å; G190-A193 PolarHBondContact O-N 2.92Å; G190-D194 VanDerWaalsContact CA-OD2 3.24Å; G190-D194 WeakPolarHBondContact CA-OD2 3.2Å; G190-D194 PolarHBondContact N-OD2 2.93Å; G190-D194 PolarHBondContact O-N 2.82Å; G190-D194 VanDerWaalsContact O-OD2 3.1Å
191	P	93.4	Very high	95.1	Very high	83 Å²	83	49.4 Å²	49.4	54%	0.539	28%	0.277	S	S	.	.	H	α-helix	trans	-55.8	-32	-154.7	-30.8	35.7	0	0	0	116.1	A195 T425	P191-A195 WeakPolarHBondContact O-CB 3.29Å; P191-A195 PolarHBondContact O-N 3.41Å; P191-A195 VanDerWaalsContact O-N 3.1Å; P191-T425 HydrophobicContact CB-CG2 3.96Å
192	C	95.6	Very high	95.1	Very high	11 Å²	11	55.6 Å²	55.6	7%	0.074	30%	0.304	C	S	.	.	H	α-helix	trans	-70.8	-43.5	178.5	-63.3	0	0	0	0	112.1	G190 A196	G190-C192 VanDerWaalsContact C-N 3.25Å; G190-C192 PolarHBondContact O-N 2.89Å; C192-A196 VanDerWaalsContact O-CB 3.29Å; C192-A196 WeakPolarHBondContact O-CB 3.25Å; C192-A196 PolarHBondContact O-N 3.15Å; C192-A196 VanDerWaalsContact O-N 3.16Å
193	A	95.1	Very high	94.9	Very high	13 Å²	13	58.3 Å²	58.3	11%	0.107	32%	0.315	C	S	.	.	H	α-helix	trans	-70.5	-44	177.1	0	0	0	0	0	111.3	G190 A196 I197	G190-A193 PolarHBondContact O-N 2.92Å; A193-A196 PolarHBondContact O-N 2.83Å; A193-I197 WeakPolarHBondContact O-CG1 3.27Å; A193-I197 PolarHBondContact O-N 3.15Å
194	D	96.1	Very high	94.8	Very high	91 Å²	91	59.8 Å²	59.8	49%	0.487	33%	0.33	S	S	.	.	H	α-helix	trans	-62.5	-47.8	-178.3	-57.6	-37.6	0	0	0	111.1	G190 A196 I197 E198	G190-D194 VanDerWaalsContact CA-OD2 3.24Å; G190-D194 WeakPolarHBondContact CA-OD2 3.2Å; G190-D194 PolarHBondContact N-OD2 2.93Å; G190-D194 PolarHBondContact O-N 2.82Å; G190-D194 VanDerWaalsContact O-OD2 3.1Å; D194-A196 PolarHBondContact O-N 3.19Å; D194-I197 WeakPolarHBondContact O-CB 3.26Å; D194-I197 PolarHBondContact O-N 3.37Å; D194-E198 PolarHBondContact O-N 3.21Å; D194-E198 VanDerWaalsContact O-N 3.15Å
195	A	96.6	Very high	94.6	Very high	20 Å²	20	63.5 Å²	63.5	17%	0.165	36%	0.36	C	S	.	.	H	α-helix	trans	-65.9	-36.1	176.7	0	0	0	0	0	112.8	P191 I197 E198 V199 Q421	P191-A195 WeakPolarHBondContact O-CB 3.29Å; P191-A195 PolarHBondContact O-N 3.41Å; P191-A195 VanDerWaalsContact O-N 3.1Å; A195-I197 VanDerWaalsContact C-N 3.3Å; A195-I197 PolarHBondContact O-N 3.09Å; A195-E198 PolarHBondContact O-N 2.88Å; A195-V199 WeakPolarHBondContact O-CB 3.43Å; A195-V199 PolarHBondContact O-N 3.05Å; A195-Q421 HydrophobicContact CB-CG 3.67Å
196	A	96.9	Very high	94.3	Very high	16 Å²	16	65.2 Å²	65.2	13%	0.132	38%	0.38	C	S	.	.	H	α-helix	trans	-65.1	-33.3	175.3	0	0	0	0	0	112.1	C192 A193 D194 T200 P418	C192-A196 VanDerWaalsContact O-CB 3.29Å; C192-A196 WeakPolarHBondContact O-CB 3.25Å; C192-A196 PolarHBondContact O-N 3.15Å; C192-A196 VanDerWaalsContact O-N 3.16Å; A193-A196 PolarHBondContact O-N 2.83Å; D194-A196 PolarHBondContact O-N 3.19Å; A196-T200 WeakPolarHBondContact O-CB 3.23Å; A196-T200 PolarHBondContact O-N 2.84Å; A196-T200 PolarHBondContact O-OG1 2.88Å; A196-P418 HydrophobicContact CB-CB 4.14Å
197	I	96.4	Very high	94.1	Very high	97 Å²	97	67 Å²	67	50%	0.497	39%	0.39	S	S	.	.	H	α-helix	trans	-66.6	-47.7	173.4	-68.3	163.1	0	0	0	110.6	A193 D194 A195 V199 T200 Q201	A193-I197 WeakPolarHBondContact O-CG1 3.27Å; A193-I197 PolarHBondContact O-N 3.15Å; D194-I197 WeakPolarHBondContact O-CB 3.26Å; D194-I197 PolarHBondContact O-N 3.37Å; A195-I197 VanDerWaalsContact C-N 3.3Å; A195-I197 PolarHBondContact O-N 3.09Å; I197-V199 PolarHBondContact O-N 2.79Å; I197-T200 WeakPolarHBondContact O-CB 3.25Å; I197-T200 PolarHBondContact O-N 3Å; I197-Q201 WeakPolarHBondContact O-CG 3.32Å; I197-Q201 PolarHBondContact O-N 2.99Å; I197-Q201 VanDerWaalsContact O-N 3.09Å
198	E	96.8	Very high	93.9	Very high	136 Å²	136	66.9 Å²	66.9	64%	0.636	41%	0.408	S	S	*	.	H	α-helix	trans	-58.7	-47.9	177.4	-171.2	-173.3	159.6	0	0	111.8	D194 A195 T200 Q201 K202	D194-E198 PolarHBondContact O-N 3.21Å; D194-E198 VanDerWaalsContact O-N 3.15Å; A195-E198 PolarHBondContact O-N 2.88Å; E198-T200 VanDerWaalsContact C-N 3.3Å; E198-T200 PolarHBondContact O-N 2.88Å; E198-Q201 WeakPolarHBondContact O-CB 3.48Å; E198-Q201 PolarHBondContact O-N 3.16Å; E198-K202 PolarHBondContact O-N 2.82Å
199	V	97	Very high	94.1	Very high	13 Å²	13	62.2 Å²	62.2	8%	0.079	38%	0.384	C	S	.	.	H	α-helix	trans	-64.7	-33	177.3	164.3	0	0	0	0	112.3	A195 I197 Q201 K202 Y203 I219 P417 Q421	A195-V199 WeakPolarHBondContact O-CB 3.43Å; A195-V199 PolarHBondContact O-N 3.05Å; I197-V199 PolarHBondContact O-N 2.79Å; V199-Q201 VanDerWaalsContact C-N 3.3Å; V199-Q201 PolarHBondContact O-N 3.48Å; V199-K202 PolarHBondContact O-N 2.92Å; V199-Y203 HydrophobicContact CG1-CD2 3.82Å; V199-Y203 HydrophobicContact CG1-CE2 4.29Å; V199-Y203 PolarHBondContact O-N 2.79Å; V199-I219 HydrophobicContact CG1-CD1 3.65Å; V199-I219 HydrophobicContact CG2-CD1 4.13Å; V199-P417 VanDerWaalsContact CG1-C 3.42Å; V199-P417 HydrophobicContact CG1-CB 3.63Å; V199-P417 WeakPolarHBondContact CG1-O 3.28Å; V199-Q421 HydrophobicContact CB-CB 4Å; V199-Q421 HydrophobicContact CB-CG 4.19Å; V199-Q421 HydrophobicContact CG1-CB 4.08Å; V199-Q421 HydrophobicContact CG2-CB 3.88Å; V199-Q421 HydrophobicContact CG2-CG 3.67Å
200	T	97.2	Very high	94.1	Very high	57 Å²	57	58.4 Å²	58.4	35%	0.35	36%	0.361	S	S	.	.	H	α-helix	trans	-63	-37.4	171.6	-57	0	0	0	0	111.5	A196 I197 E198 G204 P418	A196-T200 WeakPolarHBondContact O-CB 3.23Å; A196-T200 PolarHBondContact O-N 2.84Å; A196-T200 PolarHBondContact O-OG1 2.88Å; I197-T200 WeakPolarHBondContact O-CB 3.25Å; I197-T200 PolarHBondContact O-N 3Å; E198-T200 VanDerWaalsContact C-N 3.3Å; E198-T200 PolarHBondContact O-N 2.88Å; T200-G204 WeakPolarHBondContact O-CA 3.34Å; T200-G204 PolarHBondContact O-N 2.82Å; T200-P418 VanDerWaalsContact OG1-CB 3.31Å; T200-P418 WeakPolarHBondContact OG1-CB 3.31Å
201	Q	96.7	Very high	94	Very high	160 Å²	160	58.8 Å²	58.8	75%	0.748	35%	0.354	S	S	*	.	H	α-helix	trans	-71.8	-36	176.3	-65.1	176.3	11.7	0	0	112.1	I197 E198 V199	I197-Q201 WeakPolarHBondContact O-CG 3.32Å; I197-Q201 PolarHBondContact O-N 2.99Å; I197-Q201 VanDerWaalsContact O-N 3.09Å; E198-Q201 WeakPolarHBondContact O-CB 3.48Å; E198-Q201 PolarHBondContact O-N 3.16Å; V199-Q201 VanDerWaalsContact C-N 3.3Å; V199-Q201 PolarHBondContact O-N 3.48Å
202	K	95.8	Very high	93.7	Very high	139 Å²	139	58.6 Å²	58.6	60%	0.604	35%	0.354	S	S	*	.	H	α-helix	trans	-75.2	-42.2	-179.7	-176.9	-179.8	169.8	-157.1	0	114	E198 V199	E198-K202 PolarHBondContact O-N 2.82Å; V199-K202 PolarHBondContact O-N 2.92Å
203	Y	94.9	Very high	93.4	Very high	57 Å²	57	64.3 Å²	64.3	22%	0.224	38%	0.379	C	S	.	.	H	α-helix	trans	-117.4	-7.4	-172.4	-60.8	-92.8	0	0	0	114.8	V199 L217 D218 P417	V199-Y203 HydrophobicContact CG1-CD2 3.82Å; V199-Y203 HydrophobicContact CG1-CE2 4.29Å; V199-Y203 PolarHBondContact O-N 2.79Å; Y203-L217 HydrophobicContact CD1-CD1 3.85Å; Y203-L217 HydrophobicContact CD1-CD2 4.46Å; Y203-L217 HydrophobicContact CE1-CD1 4.35Å; Y203-D218 WeakPolarHBondContact CE1-OD1 3.48Å; Y203-D218 VanDerWaalsContact CZ-OD1 3.26Å; Y203-D218 PolarHBondContact OH-OD1 2.76Å; Y203-D218 PolarHBondContact OH-OD2 3.43Å; Y203-P417 HydrophobicContact CD2-CB 4.3Å; Y203-P417 HydrophobicContact CG-CB 4.14Å; Y203-P417 HydrophobicContact CG-CG 4.38Å
204	G	94.1	Very high	93.3	Very high	31 Å²	31	71 Å²	71	32%	0.32	41%	0.41	S	S	.	.			trans	74.9	-174.6	-169.6	0	0	0	0	0	113.5	T200 G206	T200-G204 WeakPolarHBondContact O-CA 3.34Å; T200-G204 PolarHBondContact O-N 2.82Å; G204-G206 PolarHBondContact O-N 2.93Å
205	A	92.4	Very high	93	Very high	77 Å²	77	66.7 Å²	66.7	64%	0.636	39%	0.387	S	S	*	.	S	Bend	trans	-77.5	-16.1	-173.4	0	0	0	0	0	114.7	A416	A205-A416 VanDerWaalsContact O-CB 3.26Å; A205-A416 WeakPolarHBondContact O-CB 3.45Å
206	G	89.8	Confident	92.9	Very high	45 Å²	45	68.9 Å²	68.9	46%	0.464	40%	0.396	S	S	.	.			trans	167.8	154.2	-177.9	0	0	0	0	0	113.1	G204	G204-G206 PolarHBondContact O-N 2.93Å
207	V	87.7	Confident	92.8	Very high	54 Å²	54	70.3 Å²	70.3	33%	0.327	40%	0.401	S	S	.	.			trans	-86.8	-21.4	-171.7	-159.4	0	0	0	0	113.3	S209 M214 L217	V207-S209 PolarHBondContact O-N 2.97Å; V207-M214 WeakPolarHBondContact CG1-O 3.47Å; V207-L217 HydrophobicContact CG2-CD1 3.54Å; V207-L217 HydrophobicContact CG2-CG 4.06Å
208	G	88.5	Confident	92.8	Very high	69 Å²	69	70.3 Å²	70.3	71%	0.711	40%	0.402	S	S	*	.			trans	71.9	7.1	177.4	0	0	0	0	0	116
209	S	91.9	Very high	92.8	Very high	15 Å²	15	64 Å²	64	11%	0.105	37%	0.373	C	S	.	.	S	Bend	trans	-129	167.3	-179.4	178.9	0	0	0	0	111.1	V207 E213 M214 G215 S414	V207-S209 PolarHBondContact O-N 2.97Å; S209-E213 WeakPolarHBondContact OG-CB 3.32Å; S209-E213 PolarHBondContact OG-OE2 3.07Å; S209-M214 PolarHBondContact OG-N 2.82Å; S209-M214 VanDerWaalsContact OG-N 3.12Å; S209-G215 PolarHBondContact OG-N 2.89Å; S209-S414 PolarHBondContact O-N 2.81Å
210	T	91.9	Very high	92.8	Very high	17 Å²	17	63.5 Å²	63.5	10%	0.104	37%	0.37	C	S	.	.	B	Isolated β-bridge	trans	-80.5	159.1	179.5	72.1	0	0	0	0	111.4	C212 E213 G215 V410 A412	T210-C212 PolarHBondContact O-N 2.97Å; T210-C212 VanDerWaalsContact O-N 3.16Å; T210-E213 WeakPolarHBondContact CB-OE2 3.15Å; T210-E213 WeakPolarHBondContact CG2-OE2 3.37Å; T210-E213 PolarHBondContact N-OE2 3.12Å; T210-E213 PolarHBondContact O-N 3.13Å; T210-E213 VanDerWaalsContact O-N 3.16Å; T210-E213 VanDerWaalsContact OG1-CD 3.26Å; T210-E213 VanDerWaalsContact OG1-CG 3.31Å; T210-E213 WeakPolarHBondContact OG1-CG 3.4Å; T210-E213 PolarHBondContact OG1-OE2 2.92Å; T210-G215 WeakPolarHBondContact O-CA 3.35Å; T210-G215 PolarHBondContact O-N 3.05Å; T210-V410 WeakPolarHBondContact CG2-O 3.3Å; T210-A412 WeakPolarHBondContact CA-O 3.29Å; T210-A412 WeakPolarHBondContact CB-O 3.38Å; T210-A412 WeakPolarHBondContact CG2-O 3.47Å
211	R	89.4	Confident	92.8	Very high	34 Å²	34	63.3 Å²	63.3	13%	0.128	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-18.2	177.8	-74	-73.9	-63	-65.8	3.8	113.7	N216 E221 E224	R211-N216 PolarHBondContact NE-OD1 2.71Å; R211-N216 PolarHBondContact NH2-OD1 2.99Å; R211-E221 IonicContact CZ-OE1 2.67Å; R211-E221 IonicContact NH2-OE1 3.77Å; R211-E221 PolarHBondContact NH2-OE1 3.37Å; R211-E224 IonicContact CZ-OE1 2.75Å; R211-E224 IonicContact CZ-OE2 3.32Å; R211-E224 VanDerWaalsContact NH1-CD 3.29Å; R211-E224 IonicContact NH1-OE1 3.19Å; R211-E224 PolarHBondContact NH1-OE1 3.36Å; R211-E224 IonicContact NH1-OE2 2.91Å; R211-E224 PolarHBondContact NH1-OE2 3.11Å; R211-E224 IonicContact NH2-OE1 2.99Å; R211-E224 IonicContact NH2-OE2 2.99Å; R211-E224 PolarHBondContact NH2-OE2 3.21Å
212	C	87.7	Confident	92.9	Very high	78 Å²	78	59.1 Å²	59.1	53%	0.527	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-7.7	179.2	-59.6	0	0	0	0	113.7	T210	T210-C212 PolarHBondContact O-N 2.97Å; T210-C212 VanDerWaalsContact O-N 3.16Å
213	E	89.5	Confident	93	Very high	132 Å²	132	52.5 Å²	52.5	62%	0.617	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.6	-105.9	-176.1	-64.5	166.9	131	0	0	110.3	S209 T210	S209-E213 WeakPolarHBondContact OG-CB 3.32Å; S209-E213 PolarHBondContact OG-OE2 3.07Å; T210-E213 WeakPolarHBondContact CB-OE2 3.15Å; T210-E213 WeakPolarHBondContact CG2-OE2 3.37Å; T210-E213 PolarHBondContact N-OE2 3.12Å; T210-E213 PolarHBondContact O-N 3.13Å; T210-E213 VanDerWaalsContact O-N 3.16Å; T210-E213 VanDerWaalsContact OG1-CD 3.26Å; T210-E213 VanDerWaalsContact OG1-CG 3.31Å; T210-E213 WeakPolarHBondContact OG1-CG 3.4Å; T210-E213 PolarHBondContact OG1-OE2 2.92Å
214	M	91.1	Very high	93.2	Very high	153 Å²	153	50.1 Å²	50.1	75%	0.754	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.4	-1.6	-180	-62.4	179.1	-70.5	0	0	112.4	V207 S209 N216	V207-M214 WeakPolarHBondContact CG1-O 3.47Å; S209-M214 PolarHBondContact OG-N 2.82Å; S209-M214 VanDerWaalsContact OG-N 3.12Å; M214-N216 VanDerWaalsContact C-N 3.28Å; M214-N216 PolarHBondContact O-N 2.8Å
215	G	91.6	Very high	93.4	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	32%	0.32	C	S	.	.			trans	-80.4	3.3	-178.1	0	0	0	0	0	115.2	S209 T210 H220 S414	S209-G215 PolarHBondContact OG-N 2.89Å; T210-G215 WeakPolarHBondContact O-CA 3.35Å; T210-G215 PolarHBondContact O-N 3.05Å; G215-H220 PolarHBondContact O-CE1 2.83Å; G215-H220 VanDerWaalsContact O-CE1 3.32Å; G215-H220 PolarHBondContact O-ND1 3.38Å; G215-S414 WeakPolarHBondContact O-CB 3.4Å
216	N	93.6	Very high	93.7	Very high	66 Å²	66	51 Å²	51	35%	0.353	29%	0.29	S	S	.	.			trans	-86.8	140.9	175.8	-156.1	18.8	0	0	0	112	R211 M214 E221	R211-N216 PolarHBondContact NE-OD1 2.71Å; R211-N216 PolarHBondContact NH2-OD1 2.99Å; M214-N216 VanDerWaalsContact C-N 3.28Å; M214-N216 PolarHBondContact O-N 2.8Å; N216-E221 PolarHBondContact ND2-OE1 3.29Å; N216-E221 PolarHBondContact OD1-OE1 3.15Å; N216-E221 VanDerWaalsContact OD1-OE1 3.1Å
217	L	95.1	Very high	94.1	Very high	46 Å²	46	48.9 Å²	48.9	24%	0.241	27%	0.268	C	S	.	.			trans	-143.3	159.2	179.9	-65.2	175.4	0	0	0	109.4	Y203 V207 I219 H220 E221 P417	Y203-L217 HydrophobicContact CD1-CD1 3.85Å; Y203-L217 HydrophobicContact CD1-CD2 4.46Å; Y203-L217 HydrophobicContact CE1-CD1 4.35Å; V207-L217 HydrophobicContact CG2-CD1 3.54Å; V207-L217 HydrophobicContact CG2-CG 4.06Å; L217-I219 VanDerWaalsContact C-N 3.29Å; L217-I219 HydrophobicContact CB-CG2 3.98Å; L217-I219 HydrophobicContact CD1-CG2 4.23Å; L217-I219 PolarHBondContact O-N 3.42Å; L217-H220 PolarHBondContact N-ND1 3.47Å; L217-H220 WeakPolarHBondContact O-CB 3.43Å; L217-H220 PolarHBondContact O-N 2.78Å; L217-E221 PolarHBondContact O-N 2.89Å; L217-P417 HydrophobicContact CD1-CG 3.86Å
218	D	96.4	Very high	94.6	Very high	98 Å²	98	46.8 Å²	46.8	52%	0.524	26%	0.256	S	S	.	.	H	α-helix	trans	-49.6	-46.8	171.8	55.1	-11.1	0	0	0	112.7	Y203 H220 E221 E222	Y203-D218 WeakPolarHBondContact CE1-OD1 3.48Å; Y203-D218 VanDerWaalsContact CZ-OD1 3.26Å; Y203-D218 PolarHBondContact OH-OD1 2.76Å; Y203-D218 PolarHBondContact OH-OD2 3.43Å; D218-H220 PolarHBondContact O-N 2.66Å; D218-E221 PolarHBondContact O-N 3.26Å; D218-E221 VanDerWaalsContact O-N 3.17Å; D218-E222 PolarHBondContact O-N 3.16Å
219	I	97.1	Very high	95.1	Very high	3 Å²	3	49.1 Å²	49.1	2%	0.015	24%	0.244	C	C	.	.	H	α-helix	trans	-62.3	-22.7	177.5	-164.6	170.8	0	0	0	113.9	V199 L217 L223 P417 A420 Q421 I424	V199-I219 HydrophobicContact CG1-CD1 3.65Å; V199-I219 HydrophobicContact CG2-CD1 4.13Å; L217-I219 VanDerWaalsContact C-N 3.29Å; L217-I219 HydrophobicContact CB-CG2 3.98Å; L217-I219 HydrophobicContact CD1-CG2 4.23Å; L217-I219 PolarHBondContact O-N 3.42Å; I219-L223 WeakPolarHBondContact O-CB 3.4Å; I219-L223 PolarHBondContact O-N 3.21Å; I219-L223 VanDerWaalsContact O-N 3.16Å; I219-P417 HydrophobicContact CG2-CB 4.37Å; I219-A420 HydrophobicContact CD1-CB 4.24Å; I219-A420 HydrophobicContact CG1-CB 4.07Å; I219-Q421 HydrophobicContact CD1-CB 4.12Å; I219-I424 HydrophobicContact CD1-CD1 4.39Å; I219-I424 HydrophobicContact CG1-CD1 3.65Å
220	H	96.7	Very high	95.4	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.009	24%	0.239	C	C	.	.	H	α-helix	trans	-79.4	-36.5	175.7	-66.7	127.5	0	0	0	112.6	G215 L217 D218 E224 M415	G215-H220 PolarHBondContact O-CE1 2.83Å; G215-H220 VanDerWaalsContact O-CE1 3.32Å; G215-H220 PolarHBondContact O-ND1 3.38Å; L217-H220 PolarHBondContact N-ND1 3.47Å; L217-H220 WeakPolarHBondContact O-CB 3.43Å; L217-H220 PolarHBondContact O-N 2.78Å; D218-H220 PolarHBondContact O-N 2.66Å; H220-E224 WeakPolarHBondContact O-CG 3.31Å; H220-E224 PolarHBondContact O-N 3.12Å; H220-M415 PolarHBondContact NE2-O 2.84Å; H220-M415 VanDerWaalsContact NE2-O 3.1Å
221	E	97.2	Very high	95.7	Very high	53 Å²	53	47.9 Å²	47.9	25%	0.248	24%	0.235	C	C	.	.	H	α-helix	trans	-74.3	-38.1	173.1	-54.5	-62.2	140.2	0	0	110.3	R211 N216 L217 D218 L223 E224 E225 R403	R211-E221 IonicContact CZ-OE1 2.67Å; R211-E221 IonicContact NH2-OE1 3.77Å; R211-E221 PolarHBondContact NH2-OE1 3.37Å; N216-E221 PolarHBondContact ND2-OE1 3.29Å; N216-E221 PolarHBondContact OD1-OE1 3.15Å; N216-E221 VanDerWaalsContact OD1-OE1 3.1Å; L217-E221 PolarHBondContact O-N 2.89Å; D218-E221 PolarHBondContact O-N 3.26Å; D218-E221 VanDerWaalsContact O-N 3.17Å; E221-L223 VanDerWaalsContact C-N 3.31Å; E221-L223 PolarHBondContact O-N 3.02Å; E221-E224 PolarHBondContact O-N 2.88Å; E221-E224 VanDerWaalsContact O-N 3.11Å; E221-E225 WeakPolarHBondContact O-CB 3.41Å; E221-E225 WeakPolarHBondContact O-CG 3.16Å; E221-E225 PolarHBondContact O-N 2.94Å; E221-R403 IonicContact OE1-NH2 2.81Å; E221-R403 IonicContact OE2-CZ 2.69Å; E221-R403 IonicContact OE2-NH1 3.57Å; E221-R403 PolarHBondContact OE2-NH1 2.87Å; E221-R403 IonicContact OE2-NH2 2.74Å; E221-R403 PolarHBondContact OE2-NH2 3.41Å
222	E	98.2	Very high	96.1	Very high	73 Å²	73	48 Å²	48	34%	0.341	25%	0.247	S	C	.	.	H	α-helix	trans	-56.6	-45.1	172.6	-175	-174.9	172.8	0	0	111.5	D218 E224 L226 I424 K428	D218-E222 PolarHBondContact O-N 3.16Å; E222-E224 PolarHBondContact O-N 2.61Å; E222-L226 VanDerWaalsContact O-CB 3.24Å; E222-L226 WeakPolarHBondContact O-CB 3.5Å; E222-L226 PolarHBondContact O-N 3.37Å; E222-I424 HydrophobicContact CB-CD1 4.31Å; E222-I424 HydrophobicContact CG-CD1 4.17Å; E222-K428 IonicContact OE1-NZ 2.79Å; E222-K428 PolarHBondContact OE1-NZ 2.97Å
223	L	98.4	Very high	96.5	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-58.2	-46.2	174.9	173.4	62.2	0	0	0	111.7	I219 E221 L226 V227 A238 F381 M415 A420 I423 I424	I219-L223 WeakPolarHBondContact O-CB 3.4Å; I219-L223 PolarHBondContact O-N 3.21Å; I219-L223 VanDerWaalsContact O-N 3.16Å; E221-L223 VanDerWaalsContact C-N 3.31Å; E221-L223 PolarHBondContact O-N 3.02Å; L223-L226 PolarHBondContact O-N 3.39Å; L223-V227 HydrophobicContact CD1-CG2 3.96Å; L223-V227 WeakPolarHBondContact O-CB 3.41Å; L223-V227 WeakPolarHBondContact O-CG2 3.45Å; L223-V227 PolarHBondContact O-N 3.17Å; L223-A238 HydrophobicContact CD2-CB 3.77Å; L223-A238 HydrophobicContact CG-CB 4.32Å; L223-F381 HydrophobicContact CD1-CZ 4.41Å; L223-M415 HydrophobicContact CD2-CE 4.36Å; L223-M415 HydrophobicContact CD2-SD 3.67Å; L223-A420 HydrophobicContact CD2-CB 4Å; L223-I423 HydrophobicContact CD1-CB 3.82Å; L223-I423 HydrophobicContact CD1-CD1 4.31Å; L223-I423 HydrophobicContact CD1-CG2 3.47Å; L223-I423 VanDerWaalsContact CD1-CG2 3.47Å; L223-I423 HydrophobicContact CD2-CD1 4.38Å; L223-I424 HydrophobicContact CB-CD1 4.16Å; L223-I424 HydrophobicContact CB-CG1 4.24Å; L223-I424 HydrophobicContact CD1-CG1 4.24Å
224	E	98.3	Very high	97	Very high	6 Å²	6	44.5 Å²	44.5	3%	0.028	23%	0.225	C	C	.	.	H	α-helix	trans	-74.3	-31.9	-176	-74.4	177.9	169	0	0	113.2	R211 H220 E221 E222 A228 S236 M237 A238 R403	R211-E224 IonicContact CZ-OE1 2.75Å; R211-E224 IonicContact CZ-OE2 3.32Å; R211-E224 VanDerWaalsContact NH1-CD 3.29Å; R211-E224 IonicContact NH1-OE1 3.19Å; R211-E224 PolarHBondContact NH1-OE1 3.36Å; R211-E224 IonicContact NH1-OE2 2.91Å; R211-E224 PolarHBondContact NH1-OE2 3.11Å; R211-E224 IonicContact NH2-OE1 2.99Å; R211-E224 IonicContact NH2-OE2 2.99Å; R211-E224 PolarHBondContact NH2-OE2 3.21Å; H220-E224 WeakPolarHBondContact O-CG 3.31Å; H220-E224 PolarHBondContact O-N 3.12Å; E221-E224 PolarHBondContact O-N 2.88Å; E221-E224 VanDerWaalsContact O-N 3.11Å; E222-E224 PolarHBondContact O-N 2.61Å; E224-A228 WeakPolarHBondContact O-CB 3.49Å; E224-A228 PolarHBondContact O-N 3.45Å; E224-A228 VanDerWaalsContact O-N 3.1Å; E224-S236 WeakPolarHBondContact CA-OG 3.3Å; E224-S236 PolarHBondContact O-OG 3.43Å; E224-M237 VanDerWaalsContact OE1-CA 3.31Å; E224-M237 WeakPolarHBondContact OE1-CA 3.5Å; E224-A238 HydrophobicContact CG-CB 4.04Å; E224-A238 PolarHBondContact OE1-N 3.37Å; E224-R403 IonicContact OE2-CZ 2.67Å; E224-R403 IonicContact OE2-NE 3.39Å; E224-R403 IonicContact OE2-NH2 2.71Å; E224-R403 PolarHBondContact OE2-NH2 3.48Å
225	E	98.6	Very high	97.3	Very high	125 Å²	125	38 Å²	38	58%	0.584	19%	0.194	S	C	*	.	H	α-helix	trans	-66.6	-49.3	168.7	-73.7	-175.3	-175.3	0	0	111.5	E221 V227 A228 R229	E221-E225 WeakPolarHBondContact O-CB 3.41Å; E221-E225 WeakPolarHBondContact O-CG 3.16Å; E221-E225 PolarHBondContact O-N 2.94Å; E225-V227 PolarHBondContact O-N 3.39Å; E225-A228 WeakPolarHBondContact O-CB 3.13Å; E225-A228 PolarHBondContact O-N 2.96Å; E225-A228 VanDerWaalsContact O-N 3.12Å; E225-R229 WeakPolarHBondContact O-CG 3.38Å; E225-R229 PolarHBondContact O-N 2.95Å
226	L	98.8	Very high	97.6	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.005	20%	0.195	C	C	.	.	H	α-helix	trans	-61.2	-43.9	179.6	-177.3	69.1	0	0	0	111.5	E222 L223 A228 R229 F230 I424 M427 K428 M431	E222-L226 VanDerWaalsContact O-CB 3.24Å; E222-L226 WeakPolarHBondContact O-CB 3.5Å; E222-L226 PolarHBondContact O-N 3.37Å; L223-L226 PolarHBondContact O-N 3.39Å; L226-A228 VanDerWaalsContact C-N 3.3Å; L226-A228 PolarHBondContact O-N 3.37Å; L226-R229 PolarHBondContact O-N 3.02Å; L226-F230 WeakPolarHBondContact O-CB 3.3Å; L226-F230 PolarHBondContact O-N 3.14Å; L226-I424 HydrophobicContact CD2-CB 4.22Å; L226-I424 HydrophobicContact CD2-CG1 4.21Å; L226-I424 HydrophobicContact CD2-CG2 4.16Å; L226-M427 HydrophobicContact CD2-CB 3.94Å; L226-M427 HydrophobicContact CD2-CG 4.05Å; L226-M427 HydrophobicContact CD2-SD 4.14Å; L226-M427 HydrophobicContact CG-CG 4.06Å; L226-M427 HydrophobicContact CG-SD 3.86Å; L226-K428 HydrophobicContact CD1-CG 4.11Å; L226-K428 HydrophobicContact CD2-CG 4.02Å; L226-M431 HydrophobicContact CD1-CE 4.49Å; L226-M431 HydrophobicContact CD1-SD 3.9Å
227	V	98.7	Very high	97.7	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.006	18%	0.179	C	C	.	.	H	α-helix	trans	-61.8	-38.6	174.8	170.8	0	0	0	0	111	L223 E225 F230 L231 S236 F381 Y391 M427	L223-V227 HydrophobicContact CD1-CG2 3.96Å; L223-V227 WeakPolarHBondContact O-CB 3.41Å; L223-V227 WeakPolarHBondContact O-CG2 3.45Å; L223-V227 PolarHBondContact O-N 3.17Å; E225-V227 PolarHBondContact O-N 3.39Å; V227-F230 PolarHBondContact O-N 3.2Å; V227-L231 HydrophobicContact CG1-CD1 3.83Å; V227-L231 HydrophobicContact CG1-CG 4.43Å; V227-L231 WeakPolarHBondContact O-CB 3.49Å; V227-L231 VanDerWaalsContact O-CG 3.26Å; V227-L231 WeakPolarHBondContact O-CG 3.21Å; V227-L231 PolarHBondContact O-N 3.42Å; V227-S236 WeakPolarHBondContact CB-OG 3.3Å; V227-S236 WeakPolarHBondContact CG1-OG 3.48Å; V227-F381 HydrophobicContact CG2-CE1 3.99Å; V227-F381 HydrophobicContact CG2-CZ 3.83Å; V227-Y391 HydrophobicContact CG1-CD1 4.36Å; V227-Y391 HydrophobicContact CG1-CD2 4.01Å; V227-Y391 HydrophobicContact CG1-CG 3.88Å; V227-M427 HydrophobicContact CB-SD 4.47Å; V227-M427 HydrophobicContact CG2-CE 3.9Å; V227-M427 HydrophobicContact CG2-SD 3.89Å
228	A	98.6	Very high	97.8	Very high	10 Å²	10	33.5 Å²	33.5	8%	0.083	17%	0.172	C	C	.	.	H	α-helix	trans	-64.8	-43.5	174.1	0	0	0	0	0	112.3	E224 E225 L226 F230 G232 V233	E224-A228 WeakPolarHBondContact O-CB 3.49Å; E224-A228 PolarHBondContact O-N 3.45Å; E224-A228 VanDerWaalsContact O-N 3.1Å; E225-A228 WeakPolarHBondContact O-CB 3.13Å; E225-A228 PolarHBondContact O-N 2.96Å; E225-A228 VanDerWaalsContact O-N 3.12Å; L226-A228 VanDerWaalsContact C-N 3.3Å; L226-A228 PolarHBondContact O-N 3.37Å; A228-F230 PolarHBondContact O-N 3.28Å; A228-G232 PolarHBondContact O-N 3.44Å; A228-V233 HydrophobicContact CB-CG2 4.25Å; A228-V233 PolarHBondContact O-N 3.16Å; A228-V233 VanDerWaalsContact O-N 3.09Å
229	R	98.2	Very high	97.7	Very high	119 Å²	119	29.1 Å²	29.1	45%	0.449	15%	0.148	S	C	.	.	H	α-helix	trans	-60.8	-42.6	173.8	-62.4	-153.9	-57.2	-101.4	10.7	112.3	E225 L226 G232 R361 M431 E433	E225-R229 WeakPolarHBondContact O-CG 3.38Å; E225-R229 PolarHBondContact O-N 2.95Å; L226-R229 PolarHBondContact O-N 3.02Å; R229-G232 PolarHBondContact O-N 3.08Å; R229-R361 PolarHBondContact O-NH1 3.19Å; R229-M431 HydrophobicContact CB-CE 4.33Å; R229-E433 IonicContact CZ-OE1 2.76Å; R229-E433 IonicContact NE-OE1 3.57Å; R229-E433 PolarHBondContact NE-OE1 2.7Å; R229-E433 IonicContact NH2-OE1 2.66Å; R229-E433 PolarHBondContact NH2-OE1 2.89Å; R229-E433 IonicContact NH2-OE2 3.59Å; R229-E433 PolarHBondContact NH2-OE2 3.39Å
230	F	98.4	Very high	97.3	Very high	1 Å²	1	31 Å²	31	0%	0.004	17%	0.168	C	C	.	.	H	α-helix	trans	-65.9	-43.8	-178.9	-174.9	-115.1	0	0	0	112	L226 V227 A228 I353 G360 R361 F385 M427 I430 M431	L226-F230 WeakPolarHBondContact O-CB 3.3Å; L226-F230 PolarHBondContact O-N 3.14Å; V227-F230 PolarHBondContact O-N 3.2Å; A228-F230 PolarHBondContact O-N 3.28Å; F230-I353 HydrophobicContact CD1-CD1 4.23Å; F230-I353 HydrophobicContact CE1-CD1 3.63Å; F230-I353 HydrophobicContact CE1-CG1 3.92Å; F230-G360 WeakPolarHBondContact CZ-O 3.41Å; F230-R361 HydrophobicContact CD2-CG 4.27Å; F230-R361 HydrophobicContact CE1-CG 4.47Å; F230-R361 HydrophobicContact CE2-CG 3.94Å; F230-R361 HydrophobicContact CZ-CG 4.06Å; F230-R361 WeakPolarHBondContact O-CD 3.22Å; F230-R361 VanDerWaalsContact O-CG 3.3Å; F230-R361 WeakPolarHBondContact O-CG 3.34Å; F230-R361 PolarHBondContact O-NE 3.24Å; F230-R361 PolarHBondContact O-NH1 3.49Å; F230-F385 HydrophobicContact CE1-CE1 4.39Å; F230-F385 AromaticContact CE1-CZ 3.94Å; F230-F385 HydrophobicContact CE1-CZ 3.94Å; F230-M427 HydrophobicContact CB-CE 4.34Å; F230-M427 HydrophobicContact CB-CG 4.05Å; F230-M427 HydrophobicContact CB-SD 3.55Å; F230-M427 VanDerWaalsContact CB-SD 3.55Å; F230-M427 HydrophobicContact CD1-CE 3.67Å; F230-M427 HydrophobicContact CD1-CG 4.31Å; F230-M427 HydrophobicContact CD1-SD 4Å; F230-M427 HydrophobicContact CD2-CG 4.07Å; F230-M427 HydrophobicContact CE1-CE 4.24Å; F230-M427 HydrophobicContact CG-CE 4.11Å; F230-M427 HydrophobicContact CG-CG 3.88Å; F230-M427 HydrophobicContact CG-SD 3.8Å; F230-I430 HydrophobicContact CE2-CB 4.45Å; F230-I430 HydrophobicContact CE2-CG2 3.69Å; F230-I430 HydrophobicContact CZ-CG2 3.9Å; F230-M431 HydrophobicContact CB-SD 3.99Å; F230-M431 HydrophobicContact CD2-CG 3.57Å; F230-M431 HydrophobicContact CD2-SD 3.72Å; F230-M431 HydrophobicContact CE2-CG 4.05Å; F230-M431 HydrophobicContact CG-SD 4.31Å
231	L	98.1	Very high	97	Very high	4 Å²	4	36.4 Å²	36.4	2%	0.021	20%	0.195	C	C	.	.	H	α-helix	trans	-74.6	-25	176	-62.9	169.5	0	0	0	112.9	V227 V233 I353 P371 M377 Y391	V227-L231 HydrophobicContact CG1-CD1 3.83Å; V227-L231 HydrophobicContact CG1-CG 4.43Å; V227-L231 WeakPolarHBondContact O-CB 3.49Å; V227-L231 VanDerWaalsContact O-CG 3.26Å; V227-L231 WeakPolarHBondContact O-CG 3.21Å; V227-L231 PolarHBondContact O-N 3.42Å; L231-V233 HydrophobicContact CB-CG1 3.99Å; L231-V233 HydrophobicContact CB-CG2 3.9Å; L231-V233 HydrophobicContact CD1-CG2 4.24Å; L231-I353 HydrophobicContact CD2-CD1 3.9Å; L231-P371 WeakPolarHBondContact O-CG 3.35Å; L231-M377 HydrophobicContact CB-SD 4.05Å; L231-M377 HydrophobicContact CD1-CB 4.5Å; L231-M377 HydrophobicContact CD2-SD 4.03Å; L231-M377 HydrophobicContact CG-SD 4.44Å; L231-Y391 HydrophobicContact CD1-CD2 3.82Å; L231-Y391 HydrophobicContact CD1-CE2 3.53Å; L231-Y391 HydrophobicContact CD2-CE2 3.87Å; L231-Y391 HydrophobicContact CG-CE2 4.26Å
232	G	97.3	Very high	96.6	Very high	36 Å²	36	34.3 Å²	34.3	37%	0.371	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.1	37.2	-173.2	0	0	0	0	0	113	A228 R229 P371	A228-G232 PolarHBondContact O-N 3.44Å; R229-G232 PolarHBondContact O-N 3.08Å; G232-P371 WeakPolarHBondContact O-CB 3.2Å
233	V	97.9	Very high	96.4	Very high	26 Å²	26	35 Å²	35	16%	0.158	19%	0.19	C	C	.	.	S	Bend	trans	-118.6	166.7	-176.5	-59.3	0	0	0	0	111.6	A228 L231 S235 P371 M377	A228-V233 HydrophobicContact CB-CG2 4.25Å; A228-V233 PolarHBondContact O-N 3.16Å; A228-V233 VanDerWaalsContact O-N 3.09Å; L231-V233 HydrophobicContact CB-CG1 3.99Å; L231-V233 HydrophobicContact CB-CG2 3.9Å; L231-V233 HydrophobicContact CD1-CG2 4.24Å; V233-S235 WeakPolarHBondContact CG2-O 3.27Å; V233-S235 PolarHBondContact O-N 3.4Å; V233-P371 HydrophobicContact CG1-CB 4.27Å; V233-M377 HydrophobicContact CG1-CE 4.16Å; V233-M377 HydrophobicContact CG1-SD 3.93Å
234	E	98.2	Very high	96.1	Very high	112 Å²	112	35.9 Å²	35.9	52%	0.523	20%	0.197	S	C	.	.	S	Bend	trans	-69.1	-31.6	-175.4	-61.4	168.8	-163.9	0	0	113.3	G394 K395 K396	E234-G394 PolarHBondContact N-O 3.37Å; E234-G394 VanDerWaalsContact N-O 3.17Å; E234-K395 WeakPolarHBondContact OE2-CA 3.16Å; E234-K395 WeakPolarHBondContact OE2-CB 3.28Å; E234-K396 HydrophobicContact CB-CB 4.26Å; E234-K396 PolarHBondContact OE2-N 2.98Å
235	S	98.4	Very high	96	Very high	17 Å²	17	35.6 Å²	35.6	12%	0.119	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.9	164.2	-179.5	-167.5	0	0	0	0	111.4	V233 G393 G394	V233-S235 WeakPolarHBondContact CG2-O 3.27Å; V233-S235 PolarHBondContact O-N 3.4Å; S235-G393 WeakPolarHBondContact O-CA 3.37Å; S235-G394 PolarHBondContact N-O 3.32Å; S235-G394 VanDerWaalsContact N-O 3.15Å; S235-G394 PolarHBondContact O-N 3.08Å
236	S	98.1	Very high	95.9	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.007	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	165.3	171.8	87	0	0	0	0	112.8	E224 V227 I392 I399	E224-S236 WeakPolarHBondContact CA-OG 3.3Å; E224-S236 PolarHBondContact O-OG 3.43Å; V227-S236 WeakPolarHBondContact CB-OG 3.3Å; V227-S236 WeakPolarHBondContact CG1-OG 3.48Å; S236-I392 CarbonylContact C-O 3.58Å; S236-I392 VanDerWaalsContact CA-O 3.26Å; S236-I392 WeakPolarHBondContact CA-O 3.35Å; S236-I399 WeakPolarHBondContact O-CG2 3.21Å
237	M	95.8	Very high	95.7	Very high	4 Å²	4	30 Å²	30	2%	0.02	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	135	170.5	-176.9	169.7	-162.1	0	0	110.9	E224 F239 Y391 I392 I399 R403 A409	E224-M237 VanDerWaalsContact OE1-CA 3.31Å; E224-M237 WeakPolarHBondContact OE1-CA 3.5Å; M237-F239 HydrophobicContact CB-CE2 4.14Å; M237-F239 HydrophobicContact CB-CZ 4.11Å; M237-F239 HydrophobicContact CE-CE1 4.3Å; M237-F239 HydrophobicContact CG-CE1 4.12Å; M237-F239 HydrophobicContact CG-CE2 4.03Å; M237-F239 HydrophobicContact CG-CZ 3.74Å; M237-F239 WeakPolarHBondContact O-CE2 3.15Å; M237-F239 HydrophobicContact SD-CE1 3.82Å; M237-F239 HydrophobicContact SD-CZ 3.73Å; M237-Y391 CarbonylContact O-C 3.55Å; M237-Y391 WeakPolarHBondContact O-CA 3.38Å; M237-Y391 WeakPolarHBondContact O-CB 3.1Å; M237-I392 PolarHBondContact N-O 3.39Å; M237-I392 PolarHBondContact O-N 2.87Å; M237-I399 HydrophobicContact CB-CG2 4.06Å; M237-R403 HydrophobicContact CE-CG 4.06Å; M237-R403 HydrophobicContact CG-CG 4.49Å; M237-R403 HydrophobicContact SD-CB 4.29Å; M237-R403 HydrophobicContact SD-CG 3.59Å; M237-R403 VanDerWaalsContact SD-CG 3.59Å; M237-A409 HydrophobicContact CE-CB 3.47Å; M237-A409 VanDerWaalsContact CE-CB 3.47Å; M237-A409 HydrophobicContact SD-CB 4.02Å
238	A	95.9	Very high	95.5	Very high	11 Å²	11	32.9 Å²	32.9	9%	0.091	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	145.3	175.9	0	0	0	0	0	111.7	L223 E224 F381 G390 M415	L223-A238 HydrophobicContact CD2-CB 3.77Å; L223-A238 HydrophobicContact CG-CB 4.32Å; E224-A238 HydrophobicContact CG-CB 4.04Å; E224-A238 PolarHBondContact OE1-N 3.37Å; A238-F381 HydrophobicContact CB-CE2 4.25Å; A238-G390 CarbonylContact C-O 3.5Å; A238-G390 WeakPolarHBondContact CA-O 3.4Å; A238-M415 HydrophobicContact CB-CE 4.32Å
239	F	94.2	Very high	95.3	Very high	6 Å²	6	32.4 Å²	32.4	3%	0.026	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	141	-177	-56.6	-87.3	0	0	0	110.2	M237 M241 T245 N249 G389 G390 I392 S408	M237-F239 HydrophobicContact CB-CE2 4.14Å; M237-F239 HydrophobicContact CB-CZ 4.11Å; M237-F239 HydrophobicContact CE-CE1 4.3Å; M237-F239 HydrophobicContact CG-CE1 4.12Å; M237-F239 HydrophobicContact CG-CE2 4.03Å; M237-F239 HydrophobicContact CG-CZ 3.74Å; M237-F239 WeakPolarHBondContact O-CE2 3.15Å; M237-F239 HydrophobicContact SD-CE1 3.82Å; M237-F239 HydrophobicContact SD-CZ 3.73Å; F239-M241 PolarHBondContact O-N 3.39Å; F239-M241 VanDerWaalsContact O-N 3.08Å; F239-T245 HydrophobicContact CD2-CG2 3.7Å; F239-T245 HydrophobicContact CE2-CG2 4.15Å; F239-T245 HydrophobicContact CG-CG2 4.45Å; F239-N249 VanDerWaalsContact CZ-ND2 3.27Å; F239-N249 WeakPolarHBondContact CZ-ND2 3.48Å; F239-N249 WeakPolarHBondContact CZ-OD1 3.29Å; F239-G389 CarbonylContact O-C 3.53Å; F239-G389 WeakPolarHBondContact O-CA 3.47Å; F239-G390 PolarHBondContact N-O 3.47Å; F239-G390 PolarHBondContact O-N 2.84Å; F239-I392 HydrophobicContact CE2-CB 4.09Å; F239-I392 HydrophobicContact CE2-CD1 4.18Å; F239-I392 HydrophobicContact CE2-CG1 3.94Å; F239-I392 HydrophobicContact CZ-CD1 4.48Å; F239-S408 WeakPolarHBondContact CD1-OG 3.1Å
240	G	90.1	Very high	95.2	Very high	43 Å²	43	26.8 Å²	26.8	44%	0.443	16%	0.159	S	C	.	.	S	Bend	trans	-65.2	-10.1	-176.5	0	0	0	0	0	116.4	G389	G240-G389 WeakPolarHBondContact O-CA 3.47Å
241	M	89.7	Confident	95.1	Very high	116 Å²	116	28.4 Å²	28.4	57%	0.571	17%	0.17	S	C	*	.			trans	-146	119.5	179.6	-177.5	-168.8	-64.7	0	0	112.8	F239 F243 A244 T245	F239-M241 PolarHBondContact O-N 3.39Å; F239-M241 VanDerWaalsContact O-N 3.08Å; M241-F243 VanDerWaalsContact C-N 3.35Å; M241-F243 HydrophobicContact CG-CB 4.35Å; M241-F243 PolarHBondContact O-N 3.47Å; M241-F243 HydrophobicContact SD-CB 4.29Å; M241-A244 HydrophobicContact CB-CB 4.01Å; M241-A244 HydrophobicContact CG-CB 4.25Å; M241-A244 PolarHBondContact O-N 2.86Å; M241-A244 VanDerWaalsContact O-N 3.08Å; M241-A244 HydrophobicContact SD-CB 4.05Å; M241-T245 PolarHBondContact O-N 3.16Å; M241-T245 PolarHBondContact O-OG1 2.95Å
242	G	88.9	Confident	95	Very high	9 Å²	9	29 Å²	29	9%	0.093	18%	0.176	C	C	.	.	H	α-helix	trans	-59.7	-34.2	-178.9	0	0	0	0	0	115.4	T245 M378	G242-T245 WeakPolarHBondContact O-CB 3.32Å; G242-T245 PolarHBondContact O-N 3.26Å; G242-M378 VanDerWaalsContact O-CE 3.28Å; G242-M378 WeakPolarHBondContact O-CE 3.25Å
243	F	93.8	Very high	94.9	Very high	87 Å²	87	27.8 Å²	27.8	38%	0.382	16%	0.16	S	C	.	.	H	α-helix	trans	-65.2	-44.9	173.8	-172.4	-77.9	0	0	0	111.4	M241 T245 N246 S247 H267 A268 S269 L272	M241-F243 VanDerWaalsContact C-N 3.35Å; M241-F243 HydrophobicContact CG-CB 4.35Å; M241-F243 PolarHBondContact O-N 3.47Å; M241-F243 HydrophobicContact SD-CB 4.29Å; F243-T245 VanDerWaalsContact C-N 3.33Å; F243-T245 PolarHBondContact O-N 3.47Å; F243-N246 PolarHBondContact O-N 2.89Å; F243-S247 PolarHBondContact O-N 3.39Å; F243-S247 VanDerWaalsContact O-N 3.13Å; F243-S247 PolarHBondContact O-OG 2.86Å; F243-H267 AromaticContact CD2-CE1 3.99Å; F243-A268 HydrophobicContact CE2-CB 4.39Å; F243-S269 WeakPolarHBondContact O-CB 3.46Å; F243-L272 HydrophobicContact CE1-CD2 3.87Å; F243-L272 HydrophobicContact CZ-CD2 4.25Å
244	A	92.6	Very high	94.8	Very high	19 Å²	19	27 Å²	27	16%	0.157	16%	0.156	C	C	.	.	H	α-helix	trans	-67	-32.8	178.4	0	0	0	0	0	112.5	M241 N246 S247 M248	M241-A244 HydrophobicContact CB-CB 4.01Å; M241-A244 HydrophobicContact CG-CB 4.25Å; M241-A244 PolarHBondContact O-N 2.86Å; M241-A244 VanDerWaalsContact O-N 3.08Å; M241-A244 HydrophobicContact SD-CB 4.05Å; A244-N246 CarbonylContact O-C 3.42Å; A244-N246 PolarHBondContact O-N 2.83Å; A244-N246 VanDerWaalsContact O-N 3.17Å; A244-S247 PolarHBondContact O-N 2.99Å; A244-M248 HydrophobicContact CB-CG 4.02Å; A244-M248 WeakPolarHBondContact O-CB 3.04Å; A244-M248 PolarHBondContact O-N 3.17Å
245	T	95.3	Very high	94.7	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-50.1	-39.6	173.2	-54.4	0	0	0	0	112	F239 M241 G242 F243 N249 M378 Y391 I392	F239-T245 HydrophobicContact CD2-CG2 3.7Å; F239-T245 HydrophobicContact CE2-CG2 4.15Å; F239-T245 HydrophobicContact CG-CG2 4.45Å; M241-T245 PolarHBondContact O-N 3.16Å; M241-T245 PolarHBondContact O-OG1 2.95Å; G242-T245 WeakPolarHBondContact O-CB 3.32Å; G242-T245 PolarHBondContact O-N 3.26Å; F243-T245 VanDerWaalsContact C-N 3.33Å; F243-T245 PolarHBondContact O-N 3.47Å; T245-N249 WeakPolarHBondContact O-CB 3.31Å; T245-N249 PolarHBondContact O-ND2 3.18Å; T245-M378 HydrophobicContact CG2-CE 3.8Å; T245-M378 HydrophobicContact CG2-CG 3.79Å; T245-Y391 WeakPolarHBondContact CG2-O 3.44Å; T245-I392 HydrophobicContact CG2-CD1 4.33Å; T245-I392 HydrophobicContact CG2-CG1 3.83Å
246	N	96.8	Very high	94.6	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.011	17%	0.169	C	C	.	.	H	α-helix	trans	-78.9	-57.1	172.2	-85.4	-36.4	0	0	0	112.1	F243 A244 M248 I250 S269 L270 Y346 D348 M378	F243-N246 PolarHBondContact O-N 2.89Å; A244-N246 CarbonylContact O-C 3.42Å; A244-N246 PolarHBondContact O-N 2.83Å; A244-N246 VanDerWaalsContact O-N 3.17Å; N246-M248 VanDerWaalsContact C-N 3.33Å; N246-M248 PolarHBondContact O-N 3.33Å; N246-I250 WeakPolarHBondContact O-CG1 3.4Å; N246-I250 PolarHBondContact O-N 3.28Å; N246-S269 WeakPolarHBondContact CB-OG 3.46Å; N246-S269 PolarHBondContact ND2-OG 2.58Å; N246-L270 HydrophobicContact CB-CD2 4.22Å; N246-L270 VanDerWaalsContact CG-CD2 3.44Å; N246-L270 WeakPolarHBondContact OD1-CD2 3.31Å; N246-Y346 VanDerWaalsContact OD1-CE1 3.28Å; N246-Y346 WeakPolarHBondContact OD1-CE1 3.4Å; N246-Y346 PolarHBondContact OD1-OH 2.97Å; N246-Y346 VanDerWaalsContact OD1-OH 3.06Å; N246-D348 PolarHBondContact ND2-OD2 2.72Å; N246-M378 WeakPolarHBondContact ND2-CE 3.37Å; N246-M378 WeakPolarHBondContact OD1-CG 3.41Å
247	S	95.4	Very high	94.5	Very high	6 Å²	6	30.4 Å²	30.4	4%	0.042	17%	0.174	C	C	.	.	H	α-helix	trans	-69.7	-26.3	-165.4	68.6	0	0	0	0	114.6	F243 A244 P251 G273	F243-S247 PolarHBondContact O-N 3.39Å; F243-S247 VanDerWaalsContact O-N 3.13Å; F243-S247 PolarHBondContact O-OG 2.86Å; A244-S247 PolarHBondContact O-N 2.99Å; S247-P251 WeakPolarHBondContact O-CD 3.49Å; S247-G273 WeakPolarHBondContact O-CA 3.35Å
248	M	93.2	Very high	94.6	Very high	61 Å²	61	30.5 Å²	30.5	30%	0.3	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-20.1	-175.3	-53.8	-50.2	-64	0	0	113.8	A244 N246 H407	A244-M248 HydrophobicContact CB-CG 4.02Å; A244-M248 WeakPolarHBondContact O-CB 3.04Å; A244-M248 PolarHBondContact O-N 3.17Å; N246-M248 VanDerWaalsContact C-N 3.33Å; N246-M248 PolarHBondContact O-N 3.33Å; M248-H407 HydrophobicContact CE-CB 3.72Å
249	N	95.1	Very high	94.7	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-36.5	179	-71.4	-61.8	0	0	0	113.7	F239 T245 P251 A252 L253 I392 L402 S406	F239-N249 VanDerWaalsContact CZ-ND2 3.27Å; F239-N249 WeakPolarHBondContact CZ-ND2 3.48Å; F239-N249 WeakPolarHBondContact CZ-OD1 3.29Å; T245-N249 WeakPolarHBondContact O-CB 3.31Å; T245-N249 PolarHBondContact O-ND2 3.18Å; N249-P251 VanDerWaalsContact C-CD 3.45Å; N249-P251 VanDerWaalsContact C-N 3.29Å; N249-A252 WeakPolarHBondContact O-CB 3.36Å; N249-A252 PolarHBondContact O-N 2.8Å; N249-L253 WeakPolarHBondContact O-CG 3.27Å; N249-L253 PolarHBondContact O-N 3.35Å; N249-I392 HydrophobicContact CB-CD1 3.51Å; N249-I392 WeakPolarHBondContact ND2-CD1 3.44Å; N249-L402 HydrophobicContact CB-CD2 4.29Å; N249-S406 WeakPolarHBondContact OD1-CB 3.19Å; N249-S406 PolarHBondContact OD1-OG 3.47Å
250	I	96.8	Very high	94.9	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	17%	0.17	C	C	.	.	H	α-helix	trans	-54.9	-37.4	177.7	-65.9	168.2	0	0	0	113	N246 A252 L253 T254 I260 L270 Y346	N246-I250 WeakPolarHBondContact O-CG1 3.4Å; N246-I250 PolarHBondContact O-N 3.28Å; I250-A252 VanDerWaalsContact C-N 3.32Å; I250-A252 PolarHBondContact O-N 3.02Å; I250-L253 PolarHBondContact O-N 3.41Å; I250-T254 PolarHBondContact O-N 2.71Å; I250-T254 VanDerWaalsContact O-N 3.1Å; I250-T254 PolarHBondContact O-OG1 3.14Å; I250-I260 HydrophobicContact CG2-CD1 4.06Å; I250-L270 HydrophobicContact CD1-CD2 4.03Å; I250-Y346 HydrophobicContact CD1-CE2 4.37Å; I250-Y346 HydrophobicContact CG1-CD2 4.25Å; I250-Y346 HydrophobicContact CG1-CE2 3.74Å
251	P	95.8	Very high	95.3	Very high	36 Å²	36	27.7 Å²	27.7	23%	0.234	15%	0.149	C	C	.	.	H	α-helix	trans	-66.4	-21.1	172.7	-24.1	36.2	0	0	0	116.2	S247 N249 L276	S247-P251 WeakPolarHBondContact O-CD 3.49Å; N249-P251 VanDerWaalsContact C-CD 3.45Å; N249-P251 VanDerWaalsContact C-N 3.29Å; P251-L276 HydrophobicContact CG-CB 3.61Å
252	A	95.2	Very high	95.7	Very high	17 Å²	17	22.6 Å²	22.6	14%	0.14	12%	0.124	C	C	.	.	H	α-helix	trans	-81.1	-34.5	171.3	0	0	0	0	0	111.1	N249 I250 L402 H405	N249-A252 WeakPolarHBondContact O-CB 3.36Å; N249-A252 PolarHBondContact O-N 2.8Å; I250-A252 VanDerWaalsContact C-N 3.32Å; I250-A252 PolarHBondContact O-N 3.02Å; A252-L402 HydrophobicContact CB-CD2 4.12Å; A252-H405 HydrophobicContact CB-CB 4.45Å
253	L	95.6	Very high	96.2	Very high	9 Å²	9	22.2 Å²	22.2	5%	0.047	12%	0.12	C	C	.	.	H	α-helix	trans	-75.7	-31.6	-176.5	-63.9	168.5	0	0	0	113.5	N249 I250 K313 Y346 I376 L398 L402	N249-L253 WeakPolarHBondContact O-CG 3.27Å; N249-L253 PolarHBondContact O-N 3.35Å; I250-L253 PolarHBondContact O-N 3.41Å; L253-K313 PolarHBondContact O-NZ 3.4Å; L253-Y346 HydrophobicContact CD1-CD2 4.07Å; L253-Y346 HydrophobicContact CD1-CE2 3.77Å; L253-I376 HydrophobicContact CD1-CD1 4.02Å; L253-I376 HydrophobicContact CD1-CG1 4.49Å; L253-I376 HydrophobicContact CD1-CG2 4.4Å; L253-I376 HydrophobicContact CD2-CD1 4.47Å; L253-L398 HydrophobicContact CD2-CD1 3.42Å; L253-L398 VanDerWaalsContact CD2-CD1 3.42Å; L253-L402 HydrophobicContact CD2-CD1 4.35Å; L253-L402 HydrophobicContact CD2-CD2 3.94Å; L253-L402 HydrophobicContact CD2-CG 4.29Å; L253-L402 HydrophobicContact CG-CD2 4.13Å
254	T	96.4	Very high	96.3	Very high	10 Å²	10	22.3 Å²	22.3	6%	0.061	12%	0.122	C	C	.	.			trans	-141.5	158.2	-170.4	60.6	0	0	0	0	112.1	I250 S277 S279 L315	I250-T254 PolarHBondContact O-N 2.71Å; I250-T254 VanDerWaalsContact O-N 3.1Å; I250-T254 PolarHBondContact O-OG1 3.14Å; T254-S277 WeakPolarHBondContact OG1-CB 3.37Å; T254-S279 WeakPolarHBondContact CB-OG 3.35Å; T254-S279 PolarHBondContact OG1-OG 2.8Å; T254-L315 HydrophobicContact CG2-CB 4.18Å; T254-L315 HydrophobicContact CG2-CD2 3.71Å
255	G	96.1	Very high	96.4	Very high	15 Å²	15	24.5 Å²	24.5	16%	0.155	13%	0.13	C	C	.	.			trans	-175.8	-151.7	173.8	0	0	0	0	0	113.9	G257 C258 S277 S279	G255-G257 PolarHBondContact O-N 3.19Å; G255-G257 VanDerWaalsContact O-N 3.07Å; G255-C258 VanDerWaalsContact O-CB 3.22Å; G255-C258 WeakPolarHBondContact O-CB 3.26Å; G255-C258 PolarHBondContact O-N 2.84Å; G255-C258 PolarHBondContact O-SG 3.27Å; G255-S277 VanDerWaalsContact CA-O 3.25Å; G255-S277 WeakPolarHBondContact CA-O 3.47Å; G255-S279 WeakPolarHBondContact CA-OG 3.49Å; G255-S279 PolarHBondContact N-OG 2.81Å; G255-S279 PolarHBondContact O-OG 3.45Å
256	K	95.5	Very high	96.5	Very high	175 Å²	175	25 Å²	25	76%	0.761	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.9	114.8	-174.8	-66.3	-179.3	-176.9	173.7	0	112.7	K312	K256-K312 PolarHBondContact O-NZ 2.95Å
257	G	95.9	Very high	96.5	Very high	11 Å²	11	28.3 Å²	28.3	11%	0.113	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	98	3.5	-175.6	0	0	0	0	0	115.1	G255 K312	G255-G257 PolarHBondContact O-N 3.19Å; G255-G257 VanDerWaalsContact O-N 3.07Å; G257-K312 PolarHBondContact O-N 3.26Å
258	C	98.1	Very high	96.4	Very high	7 Å²	7	30.9 Å²	30.9	5%	0.047	17%	0.17	C	C	.	.			trans	-99.5	157.3	169.5	-55.9	0	0	0	0	111.5	G255 T280 W311 K313	G255-C258 VanDerWaalsContact O-CB 3.22Å; G255-C258 WeakPolarHBondContact O-CB 3.26Å; G255-C258 PolarHBondContact O-N 2.84Å; G255-C258 PolarHBondContact O-SG 3.27Å; C258-T280 PolarHBondContact O-N 3.49Å; C258-W311 VanDerWaalsContact C-CE3 3.49Å; C258-W311 WeakPolarHBondContact O-CZ3 3.38Å; C258-K313 WeakPolarHBondContact CA-O 3.44Å; C258-K313 HydrophobicContact CB-CB 4.31Å
259	L	98.4	Very high	96.6	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	132.7	172.5	175.1	61.8	0	0	0	109.8	L261 T280 R282 A299 W311 K313 I314 L315	L259-L261 HydrophobicContact CD1-CD2 4.09Å; L259-L261 HydrophobicContact CD2-CD2 3.9Å; L259-L261 HydrophobicContact CD2-CG 4.31Å; L259-L261 HydrophobicContact CG-CD2 3.95Å; L259-L261 HydrophobicContact CG-CG 4.27Å; L259-T280 CarbonylContact C-O 3.48Å; L259-T280 WeakPolarHBondContact CA-O 3.37Å; L259-T280 HydrophobicContact CD1-CG2 4.11Å; L259-R282 HydrophobicContact CD1-CB 4.36Å; L259-R282 HydrophobicContact CD1-CG 3.87Å; L259-A299 HydrophobicContact CD2-CB 3.31Å; L259-W311 HydrophobicContact CB-CD2 3.71Å; L259-W311 HydrophobicContact CB-CE3 3.58Å; L259-W311 HydrophobicContact CB-CG 4.32Å; L259-W311 HydrophobicContact CB-CH2 4.09Å; L259-W311 HydrophobicContact CB-CZ2 4.22Å; L259-W311 HydrophobicContact CB-CZ3 3.78Å; L259-W311 HydrophobicContact CD1-CH2 4.25Å; L259-W311 HydrophobicContact CD1-CZ2 4.4Å; L259-W311 HydrophobicContact CD2-CD2 4.44Å; L259-W311 HydrophobicContact CD2-CZ2 4.18Å; L259-K313 PolarHBondContact N-O 2.89Å; L259-I314 HydrophobicContact CB-CG1 4.32Å; L259-I314 HydrophobicContact CB-CG2 4.44Å; L259-I314 HydrophobicContact CD2-CG1 4.43Å; L259-I314 HydrophobicContact CD2-CG2 4.13Å; L259-I314 HydrophobicContact CG-CG2 4.34Å; L259-I314 CarbonylContact O-C 3.1Å; L259-I314 WeakPolarHBondContact O-CA 3.09Å; L259-L315 PolarHBondContact O-N 3.31Å
260	I	98.7	Very high	96.7	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	125	167.4	-63.2	175.4	0	0	0	108	I250 A274 T280 I281 R282 L315 V317	I250-I260 HydrophobicContact CG2-CD1 4.06Å; I260-A274 HydrophobicContact CD1-CB 3.7Å; I260-A274 HydrophobicContact CG2-CB 4.22Å; I260-T280 PolarHBondContact N-O 2.84Å; I260-I281 WeakPolarHBondContact O-CA 3.09Å; I260-R282 PolarHBondContact O-N 2.96Å; I260-L315 CarbonylContact C-O 3.51Å; I260-L315 WeakPolarHBondContact CA-O 3.3Å; I260-V317 HydrophobicContact CG2-CG2 3.78Å
261	L	98.6	Very high	96.7	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	102.6	168.6	-62	-174.3	0	0	0	107.8	L259 R282 F284 L292 L295 L296 I314 L315 I316 V317	L259-L261 HydrophobicContact CD1-CD2 4.09Å; L259-L261 HydrophobicContact CD2-CD2 3.9Å; L259-L261 HydrophobicContact CD2-CG 4.31Å; L259-L261 HydrophobicContact CG-CD2 3.95Å; L259-L261 HydrophobicContact CG-CG 4.27Å; L261-R282 WeakPolarHBondContact CA-O 3.41Å; L261-R282 HydrophobicContact CD2-CB 3.89Å; L261-F284 HydrophobicContact CB-CD1 4.26Å; L261-F284 HydrophobicContact CB-CE1 4.45Å; L261-L292 HydrophobicContact CB-CD1 4.26Å; L261-L292 HydrophobicContact CD1-CD1 3.88Å; L261-L295 HydrophobicContact CD1-CB 4.26Å; L261-L295 HydrophobicContact CD2-CB 3.89Å; L261-L295 HydrophobicContact CD2-CD1 4.1Å; L261-L296 HydrophobicContact CD1-CD2 3.51Å; L261-L296 HydrophobicContact CD1-CG 3.64Å; L261-I314 HydrophobicContact CD1-CG2 4.14Å; L261-I314 HydrophobicContact CG-CG2 4.27Å; L261-L315 PolarHBondContact N-O 2.55Å; L261-I316 WeakPolarHBondContact O-CA 3.43Å; L261-V317 PolarHBondContact O-N 2.87Å
262	S	98.4	Very high	96.8	Very high	8 Å²	8	31.6 Å²	31.6	6%	0.056	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	141.1	179.2	-176.9	0	0	0	0	110.3	N266 R282 V283 F284	S262-N266 PolarHBondContact OG-ND2 3.46Å; S262-R282 PolarHBondContact N-O 3.49Å; S262-V283 CarbonylContact O-C 3.53Å; S262-V283 VanDerWaalsContact O-CA 3.3Å; S262-V283 WeakPolarHBondContact O-CA 3.46Å; S262-F284 VanDerWaalsContact C-CD1 3.45Å; S262-F284 WeakPolarHBondContact O-CD1 3.18Å; S262-F284 WeakPolarHBondContact O-CE1 3.44Å; S262-F284 PolarHBondContact O-N 2.82Å
263	D	98.4	Very high	96.9	Very high	2 Å²	2	30.8 Å²	30.8	1%	0.011	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	155.5	159.2	-166	-81.1	0	0	0	109.7	L265 N266 F284 H286 N287 V317 Y322	D263-L265 VanDerWaalsContact C-N 3.31Å; D263-L265 PolarHBondContact O-N 3.45Å; D263-L265 PolarHBondContact OD1-N 3.31Å; D263-N266 PolarHBondContact N-ND2 3.14Å; D263-N266 VanDerWaalsContact N-ND2 3.17Å; D263-F284 HydrophobicContact CB-CE1 4.34Å; D263-F284 HydrophobicContact CB-CE2 4.03Å; D263-F284 HydrophobicContact CB-CZ 3.77Å; D263-F284 VanDerWaalsContact N-CE1 3.26Å; D263-F284 WeakPolarHBondContact OD2-CE2 3.11Å; D263-H286 WeakPolarHBondContact OD1-CA 3.43Å; D263-H286 IonicContact OD1-CE1 2.7Å; D263-H286 IonicContact OD1-CG 3.8Å; D263-H286 IonicContact OD1-ND1 2.74Å; D263-H286 PolarHBondContact OD1-ND1 3.19Å; D263-H286 WeakPolarHBondContact OD2-CA 3.34Å; D263-H286 IonicContact OD2-ND1 2.81Å; D263-H286 PolarHBondContact OD2-ND1 3.37Å; D263-N287 PolarHBondContact OD2-N 3.11Å; D263-V317 PolarHBondContact N-O 3.47Å; D263-Y322 HydrophobicContact CB-CE1 4.01Å; D263-Y322 PolarHBondContact OD2-OH 2.77Å
264	E	96.2	Very high	97	Very high	89 Å²	89	30.6 Å²	30.6	42%	0.416	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-26.9	179.8	-175.1	161.7	-126.3	0	0	113.4	V283 F284 K285	E264-V283 VanDerWaalsContact CA-CG1 3.49Å; E264-V283 HydrophobicContact CB-CG1 3.79Å; E264-V283 HydrophobicContact CG-CG1 4.25Å; E264-F284 WeakPolarHBondContact CB-O 3.32Å; E264-F284 PolarHBondContact N-O 3.32Å; E264-F284 VanDerWaalsContact N-O 3.15Å; E264-K285 IonicContact OE1-NZ 3.12Å; E264-K285 PolarHBondContact OE1-NZ 2.89Å; E264-K285 WeakPolarHBondContact OE2-CD 3.32Å; E264-K285 WeakPolarHBondContact OE2-CE 3.35Å; E264-K285 IonicContact OE2-NZ 3.56Å; E264-K285 PolarHBondContact OE2-NZ 3.13Å
265	L	95.1	Very high	97	Very high	64 Å²	64	38.6 Å²	38.6	34%	0.335	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.5	9.3	-176.2	-55.4	-176.1	0	0	0	114	D263 H267 H286 Y322 E325	D263-L265 VanDerWaalsContact C-N 3.31Å; D263-L265 PolarHBondContact O-N 3.45Å; D263-L265 PolarHBondContact OD1-N 3.31Å; L265-H267 PolarHBondContact O-N 2.78Å; L265-H286 HydrophobicContact CD1-CB 4Å; L265-H286 VanDerWaalsContact CD1-CG 3.49Å; L265-H286 HydrophobicContact CG-CB 4.05Å; L265-Y322 HydrophobicContact CB-CD1 4.16Å; L265-E325 HydrophobicContact CD1-CG 3.69Å
266	N	96.6	Very high	97	Very high	10 Å²	10	42.6 Å²	42.6	5%	0.053	21%	0.214	C	C	.	.			trans	-54.4	134.7	177.8	-87.8	-12	0	0	0	112.7	S262 D263 L270 V271 V317 E319	S262-N266 PolarHBondContact OG-ND2 3.46Å; D263-N266 PolarHBondContact N-ND2 3.14Å; D263-N266 VanDerWaalsContact N-ND2 3.17Å; N266-L270 HydrophobicContact CB-CB 4.31Å; N266-L270 HydrophobicContact CB-CD1 4Å; N266-V271 WeakPolarHBondContact O-CG2 3.45Å; N266-V317 PolarHBondContact ND2-O 2.97Å; N266-E319 WeakPolarHBondContact CA-OE1 3.47Å
267	H	96	Very high	97	Very high	72 Å²	72	34.9 Å²	34.9	33%	0.333	18%	0.182	S	C	.	.			trans	-54.7	149.8	-176.2	-175.2	-110.2	0	0	0	113.8	F243 L265 S269 L270 V271 E319	F243-H267 AromaticContact CD2-CE1 3.99Å; L265-H267 PolarHBondContact O-N 2.78Å; H267-S269 PolarHBondContact ND1-N 3.1Å; H267-S269 PolarHBondContact ND1-OG 3.38Å; H267-S269 PolarHBondContact O-N 2.85Å; H267-L270 HydrophobicContact CB-CD1 4.46Å; H267-L270 WeakPolarHBondContact O-CB 3.22Å; H267-L270 PolarHBondContact O-N 2.93Å; H267-V271 PolarHBondContact O-N 2.87Å; H267-V271 VanDerWaalsContact O-N 3.13Å; H267-E319 WeakPolarHBondContact CB-OE1 3.44Å; H267-E319 PolarHBondContact N-OE1 3.33Å
268	A	95.2	Very high	97	Very high	61 Å²	61	36.5 Å²	36.5	50%	0.504	20%	0.199	S	C	.	.	H	α-helix	trans	-55.1	-28.2	-174	0	0	0	0	0	114.2	F243 L272	F243-A268 HydrophobicContact CE2-CB 4.39Å; A268-L272 VanDerWaalsContact O-CB 3.29Å; A268-L272 WeakPolarHBondContact O-CB 3.34Å; A268-L272 PolarHBondContact O-N 2.94Å
269	S	96.6	Very high	96.9	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.007	20%	0.201	C	C	.	.	H	α-helix	trans	-69.7	-39.6	174.9	58.9	0	0	0	0	113.4	F243 N246 H267 L272 G273	F243-S269 WeakPolarHBondContact O-CB 3.46Å; N246-S269 WeakPolarHBondContact CB-OG 3.46Å; N246-S269 PolarHBondContact ND2-OG 2.58Å; H267-S269 PolarHBondContact ND1-N 3.1Å; H267-S269 PolarHBondContact ND1-OG 3.38Å; H267-S269 PolarHBondContact O-N 2.85Å; S269-L272 PolarHBondContact O-N 3.29Å; S269-G273 PolarHBondContact O-N 3.25Å
270	L	97.6	Very high	96.9	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.01	22%	0.216	C	C	.	.	H	α-helix	trans	-65.9	-46.1	174.7	-64.4	169	0	0	0	109.7	N246 I250 N266 H267 L272 G273 A274 V317 E319 Y346 D348	N246-L270 HydrophobicContact CB-CD2 4.22Å; N246-L270 VanDerWaalsContact CG-CD2 3.44Å; N246-L270 WeakPolarHBondContact OD1-CD2 3.31Å; I250-L270 HydrophobicContact CD1-CD2 4.03Å; N266-L270 HydrophobicContact CB-CB 4.31Å; N266-L270 HydrophobicContact CB-CD1 4Å; H267-L270 HydrophobicContact CB-CD1 4.46Å; H267-L270 WeakPolarHBondContact O-CB 3.22Å; H267-L270 PolarHBondContact O-N 2.93Å; L270-L272 VanDerWaalsContact C-N 3.33Å; L270-L272 PolarHBondContact O-N 3.45Å; L270-G273 PolarHBondContact O-N 3.04Å; L270-A274 VanDerWaalsContact O-CB 3.29Å; L270-A274 WeakPolarHBondContact O-CB 3.42Å; L270-A274 PolarHBondContact O-N 3.01Å; L270-V317 HydrophobicContact CB-CG1 4.3Å; L270-V317 HydrophobicContact CD1-CG1 4.19Å; L270-V317 HydrophobicContact CD2-CG1 3.79Å; L270-V317 HydrophobicContact CG-CG1 4.33Å; L270-E319 HydrophobicContact CD1-CG 4.14Å; L270-Y346 HydrophobicContact CD2-CD1 4.13Å; L270-Y346 HydrophobicContact CD2-CE1 3.83Å; L270-D348 HydrophobicContact CD1-CB 4.11Å; L270-D348 HydrophobicContact CD2-CB 4.35Å
271	V	97	Very high	96.9	Very high	40 Å²	40	42.2 Å²	42.2	24%	0.242	23%	0.231	C	C	.	.	H	α-helix	trans	-61.6	-40.1	176.7	176.2	0	0	0	0	111.6	N266 H267 R275	N266-V271 WeakPolarHBondContact O-CG2 3.45Å; H267-V271 PolarHBondContact O-N 2.87Å; H267-V271 VanDerWaalsContact O-N 3.13Å; V271-R275 VanDerWaalsContact O-CG 3.23Å; V271-R275 WeakPolarHBondContact O-CG 3.28Å; V271-R275 PolarHBondContact O-N 2.91Å; V271-R275 VanDerWaalsContact O-N 3.11Å
272	L	97.1	Very high	96.8	Very high	69 Å²	69	45.2 Å²	45.2	36%	0.361	24%	0.242	S	C	.	.	H	α-helix	trans	-67.3	-48.9	175.6	-177.5	62.5	0	0	0	111.7	F243 A268 S269 L270 A274 R275 L276	F243-L272 HydrophobicContact CE1-CD2 3.87Å; F243-L272 HydrophobicContact CZ-CD2 4.25Å; A268-L272 VanDerWaalsContact O-CB 3.29Å; A268-L272 WeakPolarHBondContact O-CB 3.34Å; A268-L272 PolarHBondContact O-N 2.94Å; S269-L272 PolarHBondContact O-N 3.29Å; L270-L272 VanDerWaalsContact C-N 3.33Å; L270-L272 PolarHBondContact O-N 3.45Å; L272-A274 VanDerWaalsContact C-N 3.32Å; L272-A274 PolarHBondContact O-N 2.81Å; L272-R275 PolarHBondContact O-N 3.1Å; L272-R275 VanDerWaalsContact O-N 3.13Å; L272-L276 HydrophobicContact CD1-CD1 4.15Å; L272-L276 HydrophobicContact CD1-CG 4.12Å; L272-L276 HydrophobicContact CD2-CD1 4.43Å; L272-L276 HydrophobicContact CG-CD1 3.86Å; L272-L276 HydrophobicContact CG-CG 4.26Å; L272-L276 WeakPolarHBondContact O-CB 3.46Å; L272-L276 WeakPolarHBondContact O-CG 3.11Å; L272-L276 PolarHBondContact O-N 3.48Å
273	G	97	Very high	96.8	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-60.2	-40.9	178.3	0	0	0	0	0	112.8	S247 S269 L270 R275 L276 S277	S247-G273 WeakPolarHBondContact O-CA 3.35Å; S269-G273 PolarHBondContact O-N 3.25Å; L270-G273 PolarHBondContact O-N 3.04Å; G273-R275 PolarHBondContact O-N 2.85Å; G273-L276 PolarHBondContact O-N 2.96Å; G273-S277 PolarHBondContact O-N 3.32Å
274	A	97.4	Very high	96.8	Very high	5 Å²	5	48.6 Å²	48.6	4%	0.041	26%	0.263	C	S	.	.	H	α-helix	trans	-60.2	-44.6	173.7	0	0	0	0	0	111.9	I260 L270 L272 S277 I281	I260-A274 HydrophobicContact CD1-CB 3.7Å; I260-A274 HydrophobicContact CG2-CB 4.22Å; L270-A274 VanDerWaalsContact O-CB 3.29Å; L270-A274 WeakPolarHBondContact O-CB 3.42Å; L270-A274 PolarHBondContact O-N 3.01Å; L272-A274 VanDerWaalsContact C-N 3.32Å; L272-A274 PolarHBondContact O-N 2.81Å; A274-S277 PolarHBondContact O-N 2.79Å; A274-S277 PolarHBondContact O-OG 3.15Å; A274-I281 HydrophobicContact CB-CD1 3.83Å; A274-I281 HydrophobicContact CB-CG1 4.31Å
275	R	96.9	Very high	96.9	Very high	178 Å²	178	49.7 Å²	49.7	67%	0.672	27%	0.266	S	S	*	.	H	α-helix	trans	-64.3	-45	176.1	-72.5	169.9	-175.1	-172.7	4.6	112.2	V271 L272 G273 S277 G278 I281	V271-R275 VanDerWaalsContact O-CG 3.23Å; V271-R275 WeakPolarHBondContact O-CG 3.28Å; V271-R275 PolarHBondContact O-N 2.91Å; V271-R275 VanDerWaalsContact O-N 3.11Å; L272-R275 PolarHBondContact O-N 3.1Å; L272-R275 VanDerWaalsContact O-N 3.13Å; G273-R275 PolarHBondContact O-N 2.85Å; R275-S277 VanDerWaalsContact C-N 3.26Å; R275-S277 PolarHBondContact O-N 2.95Å; R275-G278 PolarHBondContact O-N 2.81Å; R275-I281 HydrophobicContact CG-CD1 4.02Å
276	L	96.3	Very high	96.9	Very high	99 Å²	99	48.6 Å²	48.6	52%	0.518	26%	0.259	S	S	.	.	H	α-helix	trans	-63.9	-28	179.8	-72.2	175.2	0	0	0	113	P251 L272 G273 G278	P251-L276 HydrophobicContact CG-CB 3.61Å; L272-L276 HydrophobicContact CD1-CD1 4.15Å; L272-L276 HydrophobicContact CD1-CG 4.12Å; L272-L276 HydrophobicContact CD2-CD1 4.43Å; L272-L276 HydrophobicContact CG-CD1 3.86Å; L272-L276 HydrophobicContact CG-CG 4.26Å; L272-L276 WeakPolarHBondContact O-CB 3.46Å; L272-L276 WeakPolarHBondContact O-CG 3.11Å; L272-L276 PolarHBondContact O-N 3.48Å; G273-L276 PolarHBondContact O-N 2.96Å; L276-G278 VanDerWaalsContact C-N 3.26Å; L276-G278 PolarHBondContact O-N 2.91Å
277	S	96.1	Very high	96.8	Very high	13 Å²	13	48.7 Å²	48.7	9%	0.091	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-26.6	176.9	77.2	0	0	0	0	114.4	T254 G255 G273 A274 R275 S279	T254-S277 WeakPolarHBondContact OG1-CB 3.37Å; G255-S277 VanDerWaalsContact CA-O 3.25Å; G255-S277 WeakPolarHBondContact CA-O 3.47Å; G273-S277 PolarHBondContact O-N 3.32Å; A274-S277 PolarHBondContact O-N 2.79Å; A274-S277 PolarHBondContact O-OG 3.15Å; R275-S277 VanDerWaalsContact C-N 3.26Å; R275-S277 PolarHBondContact O-N 2.95Å; S277-S279 PolarHBondContact O-N 2.98Å; S277-S279 VanDerWaalsContact OG-CB 3.22Å; S277-S279 WeakPolarHBondContact OG-CB 3.41Å; S277-S279 PolarHBondContact OG-N 2.89Å; S277-S279 PolarHBondContact OG-OG 3.22Å
278	G	95.3	Very high	96.8	Very high	46 Å²	46	48 Å²	48	47%	0.474	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.3	16.6	-169.1	0	0	0	0	0	114.4	R275 L276	R275-G278 PolarHBondContact O-N 2.81Å; L276-G278 VanDerWaalsContact C-N 3.26Å; L276-G278 PolarHBondContact O-N 2.91Å
279	S	97	Very high	96.8	Very high	14 Å²	14	45.4 Å²	45.4	10%	0.098	24%	0.236	C	C	.	.			trans	-67	162.5	167.2	-58.8	0	0	0	0	111.3	T254 G255 S277	T254-S279 WeakPolarHBondContact CB-OG 3.35Å; T254-S279 PolarHBondContact OG1-OG 2.8Å; G255-S279 WeakPolarHBondContact CA-OG 3.49Å; G255-S279 PolarHBondContact N-OG 2.81Å; G255-S279 PolarHBondContact O-OG 3.45Å; S277-S279 PolarHBondContact O-N 2.98Å; S277-S279 VanDerWaalsContact OG-CB 3.22Å; S277-S279 WeakPolarHBondContact OG-CB 3.41Å; S277-S279 PolarHBondContact OG-N 2.89Å; S277-S279 PolarHBondContact OG-OG 3.22Å
280	T	97.4	Very high	96.9	Very high	49 Å²	49	49.8 Å²	49.8	30%	0.301	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	132.4	162.7	-59.1	0	0	0	0	108.5	C258 L259 I260 W311	C258-T280 PolarHBondContact O-N 3.49Å; L259-T280 CarbonylContact C-O 3.48Å; L259-T280 WeakPolarHBondContact CA-O 3.37Å; L259-T280 HydrophobicContact CD1-CG2 4.11Å; I260-T280 PolarHBondContact N-O 2.84Å; T280-W311 HydrophobicContact CG2-CH2 3.88Å; T280-W311 HydrophobicContact CG2-CZ3 4.5Å
281	I	98	Very high	96.9	Very high	64 Å²	64	51 Å²	51	33%	0.328	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	134.3	175.2	-50.7	171.1	0	0	0	108.3	I260 A274 R275	I260-I281 WeakPolarHBondContact O-CA 3.09Å; A274-I281 HydrophobicContact CB-CD1 3.83Å; A274-I281 HydrophobicContact CB-CG1 4.31Å; R275-I281 HydrophobicContact CG-CD1 4.02Å
282	R	97.9	Very high	97	Very high	63 Å²	63	49.1 Å²	49.1	24%	0.238	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	144.2	162.6	-60.5	178.1	179.4	177.5	-1.4	108.5	L259 I260 L261 S262 L295	L259-R282 HydrophobicContact CD1-CB 4.36Å; L259-R282 HydrophobicContact CD1-CG 3.87Å; I260-R282 PolarHBondContact O-N 2.96Å; L261-R282 WeakPolarHBondContact CA-O 3.41Å; L261-R282 HydrophobicContact CD2-CB 3.89Å; S262-R282 PolarHBondContact N-O 3.49Å; R282-L295 HydrophobicContact CB-CD1 3.92Å
283	V	98.3	Very high	97	Very high	81 Å²	81	47.7 Å²	47.7	49%	0.491	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	128.9	179.4	178.5	0	0	0	0	109	S262 E264 L295	S262-V283 CarbonylContact O-C 3.53Å; S262-V283 VanDerWaalsContact O-CA 3.3Å; S262-V283 WeakPolarHBondContact O-CA 3.46Å; E264-V283 VanDerWaalsContact CA-CG1 3.49Å; E264-V283 HydrophobicContact CB-CG1 3.79Å; E264-V283 HydrophobicContact CG-CG1 4.25Å; V283-L295 WeakPolarHBondContact O-CD1 3.29Å
284	F	98.3	Very high	97.1	Very high	1 Å²	1	53.8 Å²	53.8	0%	0.004	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	156.2	168.4	64.4	-89	0	0	0	110.6	L261 S262 D263 E264 L292 L295 I316 V318	L261-F284 HydrophobicContact CB-CD1 4.26Å; L261-F284 HydrophobicContact CB-CE1 4.45Å; S262-F284 VanDerWaalsContact C-CD1 3.45Å; S262-F284 WeakPolarHBondContact O-CD1 3.18Å; S262-F284 WeakPolarHBondContact O-CE1 3.44Å; S262-F284 PolarHBondContact O-N 2.82Å; D263-F284 HydrophobicContact CB-CE1 4.34Å; D263-F284 HydrophobicContact CB-CE2 4.03Å; D263-F284 HydrophobicContact CB-CZ 3.77Å; D263-F284 VanDerWaalsContact N-CE1 3.26Å; D263-F284 WeakPolarHBondContact OD2-CE2 3.11Å; E264-F284 WeakPolarHBondContact CB-O 3.32Å; E264-F284 PolarHBondContact N-O 3.32Å; E264-F284 VanDerWaalsContact N-O 3.15Å; F284-L292 HydrophobicContact CD1-CD1 3.81Å; F284-L292 HydrophobicContact CD2-CB 4.04Å; F284-L292 HydrophobicContact CE1-CD1 3.88Å; F284-L292 HydrophobicContact CE2-CB 4.42Å; F284-L292 HydrophobicContact CG-CB 4.14Å; F284-L292 HydrophobicContact CG-CD1 4.23Å; F284-L292 HydrophobicContact CZ-CD1 4.37Å; F284-L292 HydrophobicContact CZ-CD2 4.38Å; F284-L295 HydrophobicContact CB-CD1 3.93Å; F284-I316 HydrophobicContact CE1-CG2 4.4Å; F284-V318 HydrophobicContact CZ-CG1 3.81Å
285	K	97.3	Very high	97.1	Very high	112 Å²	112	54.9 Å²	54.9	49%	0.487	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-65.6	141.3	-179.6	-76.5	-53.9	-158.2	175.4	0	112.1	E264 N287 N288 S291	E264-K285 IonicContact OE1-NZ 3.12Å; E264-K285 PolarHBondContact OE1-NZ 2.89Å; E264-K285 WeakPolarHBondContact OE2-CD 3.32Å; E264-K285 WeakPolarHBondContact OE2-CE 3.35Å; E264-K285 IonicContact OE2-NZ 3.56Å; E264-K285 PolarHBondContact OE2-NZ 3.13Å; K285-N287 PolarHBondContact O-N 3.17Å; K285-N288 HydrophobicContact CB-CB 3.86Å; K285-N288 WeakPolarHBondContact O-CB 3.26Å; K285-N288 PolarHBondContact O-N 2.82Å; K285-S291 PolarHBondContact N-OG 2.81Å; K285-S291 VanDerWaalsContact N-OG 3.1Å
286	H	95.8	Very high	97.2	Very high	40 Å²	40	46.4 Å²	46.4	19%	0.185	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.1	125.8	-172.8	-178.5	56	0	0	0	113.6	D263 L265 N288 Y322 S327	D263-H286 WeakPolarHBondContact OD1-CA 3.43Å; D263-H286 IonicContact OD1-CE1 2.7Å; D263-H286 IonicContact OD1-CG 3.8Å; D263-H286 IonicContact OD1-ND1 2.74Å; D263-H286 PolarHBondContact OD1-ND1 3.19Å; D263-H286 WeakPolarHBondContact OD2-CA 3.34Å; D263-H286 IonicContact OD2-ND1 2.81Å; D263-H286 PolarHBondContact OD2-ND1 3.37Å; L265-H286 HydrophobicContact CD1-CB 4Å; L265-H286 VanDerWaalsContact CD1-CG 3.49Å; L265-H286 HydrophobicContact CG-CB 4.05Å; H286-N288 PolarHBondContact O-N 3.28Å; H286-Y322 AromaticContact CE1-CD1 3.58Å; H286-Y322 AromaticContact CE1-CD2 3.54Å; H286-Y322 AromaticContact CE1-CE1 3.68Å; H286-Y322 AromaticContact CE1-CE2 3.64Å; H286-Y322 AromaticContact CE1-CG 3.5Å; H286-Y322 VanDerWaalsContact CE1-CG 3.5Å; H286-Y322 AromaticContact CE1-CZ 3.71Å; H286-Y322 AromaticContact ND1-CE1 3.83Å; H286-S327 PolarHBondContact CE1-OG 3.05Å; H286-S327 PolarHBondContact NE2-OG 3.21Å
287	N	93.8	Very high	97.2	Very high	12 Å²	12	47.4 Å²	47.4	6%	0.064	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	53	12.4	-179.1	-143	4.1	0	0	0	115	E65 D263 K285 M289 I328 R330	E65-N287 PolarHBondContact OE2-ND2 2.93Å; E65-N287 VanDerWaalsContact OE2-ND2 3.16Å; D263-N287 PolarHBondContact OD2-N 3.11Å; K285-N287 PolarHBondContact O-N 3.17Å; N287-M289 WeakPolarHBondContact O-CE 3.27Å; N287-M289 PolarHBondContact O-N 2.94Å; N287-I328 PolarHBondContact ND2-O 3.21Å; N287-R330 WeakPolarHBondContact OD1-CG 3.49Å; N287-R330 PolarHBondContact OD1-N 3Å
288	N	96.1	Very high	97.3	Very high	57 Å²	57	49 Å²	49	31%	0.305	25%	0.249	S	C	.	.			trans	-97.1	98.9	-167.7	-169.1	-82.8	0	0	0	112	K285 H286 Q290 S291 L292	K285-N288 HydrophobicContact CB-CB 3.86Å; K285-N288 WeakPolarHBondContact O-CB 3.26Å; K285-N288 PolarHBondContact O-N 2.82Å; H286-N288 PolarHBondContact O-N 3.28Å; N288-Q290 VanDerWaalsContact C-N 3.29Å; N288-Q290 PolarHBondContact O-N 3.13Å; N288-Q290 PolarHBondContact OD1-OE1 2.85Å; N288-S291 WeakPolarHBondContact O-CB 3.37Å; N288-S291 PolarHBondContact O-N 3.41Å; N288-S291 VanDerWaalsContact O-N 3.14Å; N288-S291 VanDerWaalsContact OD1-CB 3.31Å; N288-S291 WeakPolarHBondContact OD1-CB 3.33Å; N288-S291 PolarHBondContact OD1-N 2.73Å; N288-L292 PolarHBondContact O-N 2.82Å
289	M	96.7	Very high	97.3	Very high	8 Å²	8	46.8 Å²	46.8	4%	0.039	23%	0.226	C	C	.	.	H	α-helix	trans	-67.5	-26.8	-173.7	-61.4	-59.9	109.7	0	0	113.5	N287 L292 E293 E333 V334 L337	N287-M289 WeakPolarHBondContact O-CE 3.27Å; N287-M289 PolarHBondContact O-N 2.94Å; M289-L292 HydrophobicContact CE-CD2 4.29Å; M289-L292 PolarHBondContact O-N 3.48Å; M289-L292 HydrophobicContact SD-CD2 4.03Å; M289-E293 WeakPolarHBondContact O-CB 3.15Å; M289-E293 PolarHBondContact O-N 3.2Å; M289-E333 HydrophobicContact CG-CB 3.71Å; M289-E333 WeakPolarHBondContact CG-OE2 3.34Å; M289-E333 HydrophobicContact SD-CB 4.02Å; M289-V334 HydrophobicContact CE-CG2 3.67Å; M289-V334 HydrophobicContact SD-CB 4.48Å; M289-V334 HydrophobicContact SD-CG2 3.53Å; M289-V334 VanDerWaalsContact SD-CG2 3.53Å; M289-L337 HydrophobicContact CB-CD1 4.16Å; M289-L337 HydrophobicContact SD-CD1 4.2Å
290	Q	97.3	Very high	97.2	Very high	92 Å²	92	50.4 Å²	50.4	43%	0.43	24%	0.244	S	C	.	.	H	α-helix	trans	-69.3	-38.2	174.1	-60.3	78.6	9.1	0	0	111.3	N288 K294	N288-Q290 VanDerWaalsContact C-N 3.29Å; N288-Q290 PolarHBondContact O-N 3.13Å; N288-Q290 PolarHBondContact OD1-OE1 2.85Å; Q290-K294 WeakPolarHBondContact O-CB 3.19Å; Q290-K294 PolarHBondContact O-N 3.37Å
291	S	98.1	Very high	97.1	Very high	28 Å²	28	53 Å²	53	20%	0.196	26%	0.259	C	S	.	.	H	α-helix	trans	-66.2	-39.9	172.1	-172.9	0	0	0	0	111.7	K285 N288 L295	K285-S291 PolarHBondContact N-OG 2.81Å; K285-S291 VanDerWaalsContact N-OG 3.1Å; N288-S291 WeakPolarHBondContact O-CB 3.37Å; N288-S291 PolarHBondContact O-N 3.41Å; N288-S291 VanDerWaalsContact O-N 3.14Å; N288-S291 VanDerWaalsContact OD1-CB 3.31Å; N288-S291 WeakPolarHBondContact OD1-CB 3.33Å; N288-S291 PolarHBondContact OD1-N 2.73Å; S291-L295 WeakPolarHBondContact O-CG 3.26Å; S291-L295 PolarHBondContact O-N 3.06Å
292	L	98.4	Very high	96.9	Very high	0 Å²	0	55 Å²	55	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-66.8	-49	176.7	178.1	56.2	0	0	0	111.6	L261 F284 N288 M289 K294 L295 L296 I316 V334 L337	L261-L292 HydrophobicContact CB-CD1 4.26Å; L261-L292 HydrophobicContact CD1-CD1 3.88Å; F284-L292 HydrophobicContact CD1-CD1 3.81Å; F284-L292 HydrophobicContact CD2-CB 4.04Å; F284-L292 HydrophobicContact CE1-CD1 3.88Å; F284-L292 HydrophobicContact CE2-CB 4.42Å; F284-L292 HydrophobicContact CG-CB 4.14Å; F284-L292 HydrophobicContact CG-CD1 4.23Å; F284-L292 HydrophobicContact CZ-CD1 4.37Å; F284-L292 HydrophobicContact CZ-CD2 4.38Å; N288-L292 PolarHBondContact O-N 2.82Å; M289-L292 HydrophobicContact CE-CD2 4.29Å; M289-L292 PolarHBondContact O-N 3.48Å; M289-L292 HydrophobicContact SD-CD2 4.03Å; L292-K294 VanDerWaalsContact C-N 3.3Å; L292-K294 PolarHBondContact O-N 3.34Å; L292-L295 PolarHBondContact O-N 3.36Å; L292-L296 HydrophobicContact CD1-CD1 4.1Å; L292-L296 HydrophobicContact CD1-CG 4.28Å; L292-L296 HydrophobicContact CG-CD1 4.02Å; L292-L296 WeakPolarHBondContact O-CG 3.49Å; L292-L296 PolarHBondContact O-N 3.45Å; L292-I316 HydrophobicContact CD1-CD1 4.34Å; L292-I316 HydrophobicContact CD1-CG1 4.28Å; L292-I316 HydrophobicContact CD1-CG2 4.16Å; L292-I316 HydrophobicContact CD2-CD1 4.45Å; L292-I316 HydrophobicContact CD2-CG2 4.18Å; L292-V334 HydrophobicContact CD2-CG1 4.48Å; L292-V334 HydrophobicContact CD2-CG2 4.34Å; L292-L337 HydrophobicContact CB-CD1 4.25Å; L292-L337 HydrophobicContact CD2-CD1 4Å; L292-L337 HydrophobicContact CG-CD1 4.02Å
293	E	98.4	Very high	96.8	Very high	39 Å²	39	52.3 Å²	52.3	18%	0.182	26%	0.259	C	S	.	.	H	α-helix	trans	-57.5	-42.9	176	176.4	163.8	169.5	0	0	111.6	M289 L295 L296 R297 L337 R340 Y341	M289-E293 WeakPolarHBondContact O-CB 3.15Å; M289-E293 PolarHBondContact O-N 3.2Å; E293-L295 PolarHBondContact O-N 2.98Å; E293-L296 PolarHBondContact O-N 3.11Å; E293-R297 VanDerWaalsContact O-CB 3.32Å; E293-R297 WeakPolarHBondContact O-CB 3.4Å; E293-R297 PolarHBondContact O-N 3.05Å; E293-R297 IonicContact OE1-CZ 2.72Å; E293-R297 IonicContact OE1-NE 2.78Å; E293-R297 IonicContact OE1-NH2 3.31Å; E293-R297 PolarHBondContact OE1-NH2 2.87Å; E293-L337 HydrophobicContact CB-CD1 4.24Å; E293-L337 HydrophobicContact CB-CD2 3.78Å; E293-L337 HydrophobicContact CG-CD2 4.11Å; E293-R340 IonicContact OE1-CZ 3.39Å; E293-R340 IonicContact OE1-NH1 3.76Å; E293-R340 PolarHBondContact OE1-NH1 2.86Å; E293-R340 IonicContact OE1-NH2 3.22Å; E293-R340 PolarHBondContact OE1-NH2 2.91Å; E293-R340 IonicContact OE2-NH1 2.99Å; E293-R340 PolarHBondContact OE2-NH1 3.04Å; E293-Y341 HydrophobicContact CG-CE2 3.86Å; E293-Y341 PolarHBondContact OE1-OH 3.45Å; E293-Y341 VanDerWaalsContact OE1-OH 3.08Å
294	K	98.2	Very high	96.6	Very high	128 Å²	128	50.3 Å²	50.3	56%	0.557	24%	0.244	S	C	*	.	H	α-helix	trans	-58.1	-50.5	176.6	-177	179.7	176	-176.5	0	111.1	Q290 L292 L296 R297 D298	Q290-K294 WeakPolarHBondContact O-CB 3.19Å; Q290-K294 PolarHBondContact O-N 3.37Å; L292-K294 VanDerWaalsContact C-N 3.3Å; L292-K294 PolarHBondContact O-N 3.34Å; K294-L296 VanDerWaalsContact C-N 3.34Å; K294-L296 PolarHBondContact O-N 3.22Å; K294-R297 PolarHBondContact O-N 3.26Å; K294-D298 WeakPolarHBondContact CE-OD2 3.24Å; K294-D298 WeakPolarHBondContact O-CB 3.04Å; K294-D298 PolarHBondContact O-N 2.92Å
295	L	97.9	Very high	96.2	Very high	28 Å²	28	53.6 Å²	53.6	15%	0.147	27%	0.266	C	S	.	.	H	α-helix	trans	-66.1	-34.1	-178.8	-67.2	-170.8	0	0	0	113.4	L261 R282 V283 F284 S291 L292 E293 A299	L261-L295 HydrophobicContact CD1-CB 4.26Å; L261-L295 HydrophobicContact CD2-CB 3.89Å; L261-L295 HydrophobicContact CD2-CD1 4.1Å; R282-L295 HydrophobicContact CB-CD1 3.92Å; V283-L295 WeakPolarHBondContact O-CD1 3.29Å; F284-L295 HydrophobicContact CB-CD1 3.93Å; S291-L295 WeakPolarHBondContact O-CG 3.26Å; S291-L295 PolarHBondContact O-N 3.06Å; L292-L295 PolarHBondContact O-N 3.36Å; E293-L295 PolarHBondContact O-N 2.98Å; L295-A299 WeakPolarHBondContact O-CB 3.43Å; L295-A299 PolarHBondContact O-N 3.21Å
296	L	98.2	Very high	95.8	Very high	0 Å²	0	60 Å²	60	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-63	-47	172.2	-74.3	165.4	0	0	0	111.3	L261 L292 E293 K294 A299 I300 I314 I316 L337 Y341 A343	L261-L296 HydrophobicContact CD1-CD2 3.51Å; L261-L296 HydrophobicContact CD1-CG 3.64Å; L292-L296 HydrophobicContact CD1-CD1 4.1Å; L292-L296 HydrophobicContact CD1-CG 4.28Å; L292-L296 HydrophobicContact CG-CD1 4.02Å; L292-L296 WeakPolarHBondContact O-CG 3.49Å; L292-L296 PolarHBondContact O-N 3.45Å; E293-L296 PolarHBondContact O-N 3.11Å; K294-L296 VanDerWaalsContact C-N 3.34Å; K294-L296 PolarHBondContact O-N 3.22Å; L296-A299 PolarHBondContact O-N 2.79Å; L296-I300 WeakPolarHBondContact O-CG1 3.41Å; L296-I300 PolarHBondContact O-N 2.69Å; L296-I300 VanDerWaalsContact O-N 3.09Å; L296-I314 HydrophobicContact CD2-CG2 4.01Å; L296-I316 HydrophobicContact CD1-CD1 4.18Å; L296-I316 HydrophobicContact CD2-CD1 4.33Å; L296-I316 HydrophobicContact CD2-CG1 4.46Å; L296-L337 HydrophobicContact CD1-CB 3.95Å; L296-Y341 HydrophobicContact CB-CD1 4.48Å; L296-Y341 HydrophobicContact CB-CD2 3.94Å; L296-Y341 HydrophobicContact CB-CE2 4.41Å; L296-Y341 HydrophobicContact CB-CG 3.96Å; L296-Y341 HydrophobicContact CD1-CD2 3.82Å; L296-Y341 HydrophobicContact CD1-CG 4.35Å; L296-Y341 HydrophobicContact CG-CD2 4.44Å; L296-A343 HydrophobicContact CD2-CB 4.03Å
297	R	97.7	Very high	95.5	Very high	121 Å²	121	61.6 Å²	61.6	46%	0.457	30%	0.3	S	S	.	.	H	α-helix	trans	-62.7	-50.6	177.6	-166.5	-173.1	-60	-173.9	0.7	111.5	E293 K294 A299 I300 V301	E293-R297 VanDerWaalsContact O-CB 3.32Å; E293-R297 WeakPolarHBondContact O-CB 3.4Å; E293-R297 PolarHBondContact O-N 3.05Å; E293-R297 IonicContact OE1-CZ 2.72Å; E293-R297 IonicContact OE1-NE 2.78Å; E293-R297 IonicContact OE1-NH2 3.31Å; E293-R297 PolarHBondContact OE1-NH2 2.87Å; K294-R297 PolarHBondContact O-N 3.26Å; R297-A299 PolarHBondContact O-N 2.91Å; R297-I300 PolarHBondContact O-N 3.12Å; R297-V301 HydrophobicContact CG-CG2 4.49Å; R297-V301 WeakPolarHBondContact O-CG2 3.45Å; R297-V301 PolarHBondContact O-N 2.75Å
298	D	96.5	Very high	95.5	Very high	45 Å²	45	67.4 Å²	67.4	24%	0.241	33%	0.326	C	S	.	.	H	α-helix	trans	-61.1	-33	177.8	-65.7	-6.1	0	0	0	111.7	K294 H302	K294-D298 WeakPolarHBondContact CE-OD2 3.24Å; K294-D298 WeakPolarHBondContact O-CB 3.04Å; K294-D298 PolarHBondContact O-N 2.92Å; D298-H302 WeakPolarHBondContact O-CB 3.46Å; D298-H302 PolarHBondContact O-CD2 2.79Å; D298-H302 VanDerWaalsContact O-CD2 3.29Å; D298-H302 PolarHBondContact O-N 3.1Å
299	A	95.9	Very high	95.4	Very high	0 Å²	0	72.9 Å²	72.9	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-70.3	-40.4	176.3	0	0	0	0	0	112.8	L259 L295 L296 R297 G303 W311 I314	L259-A299 HydrophobicContact CD2-CB 3.31Å; L295-A299 WeakPolarHBondContact O-CB 3.43Å; L295-A299 PolarHBondContact O-N 3.21Å; L296-A299 PolarHBondContact O-N 2.79Å; R297-A299 PolarHBondContact O-N 2.91Å; A299-G303 VanDerWaalsContact O-CA 3.32Å; A299-G303 WeakPolarHBondContact O-CA 3.32Å; A299-G303 PolarHBondContact O-N 3.38Å; A299-W311 VanDerWaalsContact O-CD1 3.23Å; A299-W311 PolarHBondContact O-NE1 2.74Å; A299-I314 HydrophobicContact CB-CD1 4.11Å
300	I	95.2	Very high	95.3	Very high	91 Å²	91	77.8 Å²	77.8	47%	0.467	37%	0.374	S	S	.	.	H	α-helix	trans	-75	-41	180	-71.6	163.3	0	0	0	111.3	L296 R297 I314 Y341	L296-I300 WeakPolarHBondContact O-CG1 3.41Å; L296-I300 PolarHBondContact O-N 2.69Å; L296-I300 VanDerWaalsContact O-N 3.09Å; R297-I300 PolarHBondContact O-N 3.12Å; I300-I314 HydrophobicContact CG1-CD1 4.19Å; I300-Y341 HydrophobicContact CD1-CD1 3.54Å; I300-Y341 HydrophobicContact CD1-CE1 4.47Å; I300-Y341 HydrophobicContact CD1-CG 4.17Å
301	V	95.1	Very high	95.3	Very high	104 Å²	104	74.8 Å²	74.8	63%	0.63	36%	0.359	S	S	*	.	H	α-helix	trans	-70.6	-39.2	-179.1	173.7	0	0	0	0	112.5	R297	R297-V301 HydrophobicContact CG-CG2 4.49Å; R297-V301 WeakPolarHBondContact O-CG2 3.45Å; R297-V301 PolarHBondContact O-N 2.75Å
302	H	94.8	Very high	95.3	Very high	106 Å²	106	80.7 Å²	80.7	49%	0.491	38%	0.381	S	S	.	.	H	α-helix	trans	-102.8	-12.7	-174.7	-57.7	-55.8	0	0	0	114.9	D298 H308	D298-H302 WeakPolarHBondContact O-CB 3.46Å; D298-H302 PolarHBondContact O-CD2 2.79Å; D298-H302 VanDerWaalsContact O-CD2 3.29Å; D298-H302 PolarHBondContact O-N 3.1Å; H302-H308 PolarHBondContact O-ND1 2.87Å
303	G	93.9	Very high	95.2	Very high	6 Å²	6	84.4 Å²	84.4	6%	0.062	40%	0.398	C	S	.	.			trans	63.5	-156.2	-178.4	0	0	0	0	0	114.2	A299 R309 W311	A299-G303 VanDerWaalsContact O-CA 3.32Å; A299-G303 WeakPolarHBondContact O-CA 3.32Å; A299-G303 PolarHBondContact O-N 3.38Å; G303-R309 WeakPolarHBondContact CA-O 3.38Å; G303-W311 VanDerWaalsContact C-NE1 3.33Å; G303-W311 VanDerWaalsContact O-CZ2 3.29Å; G303-W311 WeakPolarHBondContact O-CZ2 3.32Å; G303-W311 PolarHBondContact O-NE1 2.93Å
304	Q	94.2	Very high	95.2	Very high	38 Å²	38	83.3 Å²	83.3	18%	0.178	39%	0.393	C	S	.	.	S	Bend	trans	-67.3	137.5	177.2	-72.2	179.6	58.9	0	0	111.7	T307 H308 R309 P310 W311	Q304-T307 WeakPolarHBondContact CB-OG1 3.47Å; Q304-T307 PolarHBondContact O-N 3.21Å; Q304-H308 WeakPolarHBondContact O-CA 3.34Å; Q304-H308 PolarHBondContact O-N 3.03Å; Q304-R309 WeakPolarHBondContact CB-O 3.22Å; Q304-R309 WeakPolarHBondContact CG-O 3.49Å; Q304-R309 PolarHBondContact N-O 2.77Å; Q304-P310 PolarHBondContact NE2-O 2.89Å; Q304-W311 HydrophobicContact CG-CD2 3.86Å; Q304-W311 HydrophobicContact CG-CE3 3.6Å; Q304-W311 HydrophobicContact CG-CG 4.48Å; Q304-W311 HydrophobicContact CG-CH2 4.36Å; Q304-W311 HydrophobicContact CG-CZ3 3.88Å
305	P	89.9	Confident	95.2	Very high	71 Å²	71	77.4 Å²	77.4	46%	0.461	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.4	142.3	175	-28.3	34.1	0	0	0	113.2	T307 W311	P305-T307 PolarHBondContact O-N 2.97Å; P305-W311 HydrophobicContact CG-CH2 4.3Å
306	R	88.9	Confident	95.3	Very high	245 Å²	245	76 Å²	76	93%	0.925	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.4	-31.7	-176.8	-64.9	177.3	160	138	-5.4	116.9
307	T	90.8	Very high	95.3	Very high	75 Å²	75	76.2 Å²	76.2	46%	0.46	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-18.8	-173.8	65.9	0	0	0	0	113.7	Q304 P305 R309	Q304-T307 WeakPolarHBondContact CB-OG1 3.47Å; Q304-T307 PolarHBondContact O-N 3.21Å; P305-T307 PolarHBondContact O-N 2.97Å; T307-R309 PolarHBondContact O-N 2.89Å
308	H	92.6	Very high	95.4	Very high	133 Å²	133	70.5 Å²	70.5	62%	0.616	34%	0.34	S	S	*	.			trans	53.9	13.3	-175.8	-61.5	-68.6	0	0	0	115.2	H302 Q304	H302-H308 PolarHBondContact O-ND1 2.87Å; Q304-H308 WeakPolarHBondContact O-CA 3.34Å; Q304-H308 PolarHBondContact O-N 3.03Å
309	R	94.4	Very high	95.5	Very high	173 Å²	173	68.5 Å²	68.5	65%	0.653	33%	0.329	S	S	*	.	P	Polyproline II helix	trans	-70	148	176	-66.8	179	178.7	-170.8	-1.9	110.3	G303 Q304 T307	G303-R309 WeakPolarHBondContact CA-O 3.38Å; Q304-R309 WeakPolarHBondContact CB-O 3.22Å; Q304-R309 WeakPolarHBondContact CG-O 3.49Å; Q304-R309 PolarHBondContact N-O 2.77Å; T307-R309 PolarHBondContact O-N 2.89Å
310	P	95.4	Very high	95.5	Very high	110 Å²	110	68.5 Å²	68.5	71%	0.714	33%	0.329	S	S	*	.	P	Polyproline II helix	trans	-53	148.2	170.9	-26.6	35.2	0	0	0	112.5	Q304	Q304-P310 PolarHBondContact NE2-O 2.89Å
311	W	97.4	Very high	95.7	Very high	30 Å²	30	64.2 Å²	64.2	11%	0.114	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-69.8	139.9	174.3	-64.1	98	0	0	0	110.9	C258 L259 T280 A299 G303 Q304 P305 I314	C258-W311 VanDerWaalsContact C-CE3 3.49Å; C258-W311 WeakPolarHBondContact O-CZ3 3.38Å; L259-W311 HydrophobicContact CB-CD2 3.71Å; L259-W311 HydrophobicContact CB-CE3 3.58Å; L259-W311 HydrophobicContact CB-CG 4.32Å; L259-W311 HydrophobicContact CB-CH2 4.09Å; L259-W311 HydrophobicContact CB-CZ2 4.22Å; L259-W311 HydrophobicContact CB-CZ3 3.78Å; L259-W311 HydrophobicContact CD1-CH2 4.25Å; L259-W311 HydrophobicContact CD1-CZ2 4.4Å; L259-W311 HydrophobicContact CD2-CD2 4.44Å; L259-W311 HydrophobicContact CD2-CZ2 4.18Å; T280-W311 HydrophobicContact CG2-CH2 3.88Å; T280-W311 HydrophobicContact CG2-CZ3 4.5Å; A299-W311 VanDerWaalsContact O-CD1 3.23Å; A299-W311 PolarHBondContact O-NE1 2.74Å; G303-W311 VanDerWaalsContact C-NE1 3.33Å; G303-W311 VanDerWaalsContact O-CZ2 3.29Å; G303-W311 WeakPolarHBondContact O-CZ2 3.32Å; G303-W311 PolarHBondContact O-NE1 2.93Å; Q304-W311 HydrophobicContact CG-CD2 3.86Å; Q304-W311 HydrophobicContact CG-CE3 3.6Å; Q304-W311 HydrophobicContact CG-CG 4.48Å; Q304-W311 HydrophobicContact CG-CH2 4.36Å; Q304-W311 HydrophobicContact CG-CZ3 3.88Å; P305-W311 HydrophobicContact CG-CH2 4.3Å; W311-I314 HydrophobicContact CB-CD1 4.35Å; W311-I314 HydrophobicContact CB-CG1 3.82Å; W311-I314 HydrophobicContact CG-CD1 4.34Å; W311-I314 HydrophobicContact CG-CG1 4.07Å
312	K	96.8	Very high	95.7	Very high	151 Å²	151	59.3 Å²	59.3	66%	0.657	28%	0.277	S	S	*	.	S	Bend	trans	-67.4	-41.4	175.2	-69.4	179.7	177.3	172	0	112.2	K256 G257	K256-K312 PolarHBondContact O-NZ 2.95Å; G257-K312 PolarHBondContact O-N 3.26Å
313	K	97.4	Very high	95.5	Very high	78 Å²	78	54.7 Å²	54.7	34%	0.339	26%	0.257	S	S	.	.			trans	-146.4	145.8	172.6	-59.5	-174.5	-176.6	179.1	0	108	L253 C258 L259 Y344	L253-K313 PolarHBondContact O-NZ 3.4Å; C258-K313 WeakPolarHBondContact CA-O 3.44Å; C258-K313 HydrophobicContact CB-CB 4.31Å; L259-K313 PolarHBondContact N-O 2.89Å; K313-Y344 HydrophobicContact CB-CD2 4.17Å; K313-Y344 HydrophobicContact CB-CE2 4.15Å; K313-Y344 HydrophobicContact CD-CE2 4.28Å; K313-Y344 HydrophobicContact CG-CD2 4.41Å; K313-Y344 HydrophobicContact CG-CE2 3.98Å
314	I	98.4	Very high	95.4	Very high	16 Å²	16	56.4 Å²	56.4	8%	0.082	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	122.4	162.4	-56.2	178.4	0	0	0	106.2	L259 L261 L296 A299 I300 W311 A343 Y344	L259-I314 HydrophobicContact CB-CG1 4.32Å; L259-I314 HydrophobicContact CB-CG2 4.44Å; L259-I314 HydrophobicContact CD2-CG1 4.43Å; L259-I314 HydrophobicContact CD2-CG2 4.13Å; L259-I314 HydrophobicContact CG-CG2 4.34Å; L259-I314 CarbonylContact O-C 3.1Å; L259-I314 WeakPolarHBondContact O-CA 3.09Å; L261-I314 HydrophobicContact CD1-CG2 4.14Å; L261-I314 HydrophobicContact CG-CG2 4.27Å; L296-I314 HydrophobicContact CD2-CG2 4.01Å; A299-I314 HydrophobicContact CB-CD1 4.11Å; I300-I314 HydrophobicContact CG1-CD1 4.19Å; W311-I314 HydrophobicContact CB-CD1 4.35Å; W311-I314 HydrophobicContact CB-CG1 3.82Å; W311-I314 HydrophobicContact CG-CD1 4.34Å; W311-I314 HydrophobicContact CG-CG1 4.07Å; I314-A343 HydrophobicContact CB-CB 4.29Å; I314-A343 HydrophobicContact CG2-CB 4.24Å; I314-Y344 PolarHBondContact O-N 3.33Å
315	L	98.8	Very high	95.3	Very high	4 Å²	4	55.5 Å²	55.5	2%	0.021	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	119.9	-179.7	-175.8	67.2	0	0	0	109.5	T254 L259 I260 L261 V317 Y346 I376	T254-L315 HydrophobicContact CG2-CB 4.18Å; T254-L315 HydrophobicContact CG2-CD2 3.71Å; L259-L315 PolarHBondContact O-N 3.31Å; I260-L315 CarbonylContact C-O 3.51Å; I260-L315 WeakPolarHBondContact CA-O 3.3Å; L261-L315 PolarHBondContact N-O 2.55Å; L315-V317 HydrophobicContact CD2-CG2 4Å; L315-V317 HydrophobicContact CG-CG2 3.95Å; L315-Y346 HydrophobicContact CD2-CD2 4.45Å; L315-I376 HydrophobicContact CD1-CD1 3.98Å
316	I	98.8	Very high	95.5	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	134.5	168.5	-53.9	170.7	0	0	0	107.3	L261 F284 L292 L296 V318 V334 K338 A343 Y344 L345 Y346	L261-I316 WeakPolarHBondContact O-CA 3.43Å; F284-I316 HydrophobicContact CE1-CG2 4.4Å; L292-I316 HydrophobicContact CD1-CD1 4.34Å; L292-I316 HydrophobicContact CD1-CG1 4.28Å; L292-I316 HydrophobicContact CD1-CG2 4.16Å; L292-I316 HydrophobicContact CD2-CD1 4.45Å; L292-I316 HydrophobicContact CD2-CG2 4.18Å; L296-I316 HydrophobicContact CD1-CD1 4.18Å; L296-I316 HydrophobicContact CD2-CD1 4.33Å; L296-I316 HydrophobicContact CD2-CG1 4.46Å; I316-V318 HydrophobicContact CG2-CG1 4.43Å; I316-V334 HydrophobicContact CG2-CG1 4.08Å; I316-K338 HydrophobicContact CD1-CB 4.38Å; I316-A343 HydrophobicContact CD1-CB 3.99Å; I316-A343 HydrophobicContact CG1-CB 4.14Å; I316-Y344 PolarHBondContact N-O 2.95Å; I316-L345 HydrophobicContact CB-CD1 4.16Å; I316-L345 HydrophobicContact CG2-CD1 4.15Å; I316-Y346 PolarHBondContact O-N 3.35Å
317	V	98.7	Very high	95.8	Very high	4 Å²	4	40.4 Å²	40.4	2%	0.024	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	123	-178.2	-175.3	0	0	0	0	109.3	I260 L261 D263 N266 L270 L315 Y346	I260-V317 HydrophobicContact CG2-CG2 3.78Å; L261-V317 PolarHBondContact O-N 2.87Å; D263-V317 PolarHBondContact N-O 3.47Å; N266-V317 PolarHBondContact ND2-O 2.97Å; L270-V317 HydrophobicContact CB-CG1 4.3Å; L270-V317 HydrophobicContact CD1-CG1 4.19Å; L270-V317 HydrophobicContact CD2-CG1 3.79Å; L270-V317 HydrophobicContact CG-CG1 4.33Å; L315-V317 HydrophobicContact CD2-CG2 4Å; L315-V317 HydrophobicContact CG-CG2 3.95Å; V317-Y346 WeakPolarHBondContact CA-O 3.42Å; V317-Y346 HydrophobicContact CG1-CD1 4.37Å
318	V	98.6	Very high	96.1	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	152.6	-176.3	-73.3	0	0	0	0	111.9	F284 I316 V329 L345 Y346 L347 D348	F284-V318 HydrophobicContact CZ-CG1 3.81Å; I316-V318 HydrophobicContact CG2-CG1 4.43Å; V318-V329 HydrophobicContact CB-CG2 4.08Å; V318-V329 HydrophobicContact CG1-CG2 4.14Å; V318-V329 HydrophobicContact CG2-CG2 4.25Å; V318-L345 HydrophobicContact CG2-CD1 3.78Å; V318-Y346 PolarHBondContact N-O 3.15Å; V318-Y346 VanDerWaalsContact N-O 3.15Å; V318-L347 HydrophobicContact CG2-CD1 3.84Å; V318-D348 PolarHBondContact O-N 3.37Å
319	E	98.4	Very high	96.3	Very high	3 Å²	3	30.5 Å²	30.5	1%	0.014	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	148.2	165.6	-85.1	166	-108.9	0	0	111.2	N266 H267 L270 Y322 S323 V329 D348	N266-E319 WeakPolarHBondContact CA-OE1 3.47Å; H267-E319 WeakPolarHBondContact CB-OE1 3.44Å; H267-E319 PolarHBondContact N-OE1 3.33Å; L270-E319 HydrophobicContact CD1-CG 4.14Å; E319-Y322 HydrophobicContact CB-CD1 3.92Å; E319-Y322 HydrophobicContact CB-CD2 4.37Å; E319-Y322 HydrophobicContact CB-CE1 3.99Å; E319-Y322 HydrophobicContact CB-CE2 4.43Å; E319-Y322 HydrophobicContact CB-CG 4.13Å; E319-Y322 WeakPolarHBondContact O-CE2 3.44Å; E319-S323 PolarHBondContact OE2-N 2.97Å; E319-V329 VanDerWaalsContact O-CB 3.27Å; E319-V329 WeakPolarHBondContact O-CB 3.43Å; E319-V329 VanDerWaalsContact O-CG1 3.28Å; E319-V329 WeakPolarHBondContact O-CG1 3.4Å; E319-D348 CarbonylContact C-O 3.6Å; E319-D348 WeakPolarHBondContact CA-O 3.4Å; E319-D348 HydrophobicContact CG-CB 4.06Å
320	G	97.8	Very high	96.4	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.113	C	C	.	.	S	Bend	trans	-70.6	-53.4	173.2	0	0	0	0	0	112.2	I328 V329 D348 S352 V363	G320-I328 WeakPolarHBondContact O-CA 3.28Å; G320-V329 PolarHBondContact O-N 2.99Å; G320-D348 PolarHBondContact N-O 2.77Å; G320-S352 VanDerWaalsContact CA-OG 3.31Å; G320-S352 WeakPolarHBondContact CA-OG 3.43Å; G320-V363 WeakPolarHBondContact O-CG1 3.36Å
321	I	98	Very high	96.5	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.005	8%	0.079	C	C	.	.	B	Isolated β-bridge	trans	-116.2	129.6	163.5	-78	164.3	0	0	0	107.7	S327 I328 H351 S352 L356 V472	I321-S327 VanDerWaalsContact CA-O 3.32Å; I321-S327 WeakPolarHBondContact CA-O 3.48Å; I321-I328 HydrophobicContact CG1-CG1 3.81Å; I321-H351 HydrophobicContact CB-CB 3.7Å; I321-H351 HydrophobicContact CG2-CB 3.83Å; I321-H351 WeakPolarHBondContact O-CB 3.37Å; I321-S352 PolarHBondContact N-OG 3.12Å; I321-L356 HydrophobicContact CD1-CD1 3.58Å; I321-L356 HydrophobicContact CD1-CD2 4.33Å; I321-L356 HydrophobicContact CD1-CG 3.73Å; I321-L356 HydrophobicContact CG1-CD1 3.83Å; I321-V472 HydrophobicContact CG2-CB 4.48Å; I321-V472 HydrophobicContact CG2-CG2 4.15Å
322	Y	96.6	Very high	96.5	Very high	1 Å²	1	16.6 Å²	16.6	0%	0.004	8%	0.077	C	C	.	.			trans	-81.1	123	178.9	-67.4	-98.8	0	0	0	111.2	D263 L265 H286 E319 M324 E325 G326 S327 V329	D263-Y322 HydrophobicContact CB-CE1 4.01Å; D263-Y322 PolarHBondContact OD2-OH 2.77Å; L265-Y322 HydrophobicContact CB-CD1 4.16Å; H286-Y322 AromaticContact CE1-CD1 3.58Å; H286-Y322 AromaticContact CE1-CD2 3.54Å; H286-Y322 AromaticContact CE1-CE1 3.68Å; H286-Y322 AromaticContact CE1-CE2 3.64Å; H286-Y322 AromaticContact CE1-CG 3.5Å; H286-Y322 VanDerWaalsContact CE1-CG 3.5Å; H286-Y322 AromaticContact CE1-CZ 3.71Å; H286-Y322 AromaticContact ND1-CE1 3.83Å; E319-Y322 HydrophobicContact CB-CD1 3.92Å; E319-Y322 HydrophobicContact CB-CD2 4.37Å; E319-Y322 HydrophobicContact CB-CE1 3.99Å; E319-Y322 HydrophobicContact CB-CE2 4.43Å; E319-Y322 HydrophobicContact CB-CG 4.13Å; E319-Y322 WeakPolarHBondContact O-CE2 3.44Å; Y322-M324 VanDerWaalsContact C-N 3.31Å; Y322-M324 PolarHBondContact O-N 3.44Å; Y322-M324 VanDerWaalsContact O-N 3.11Å; Y322-E325 PolarHBondContact O-N 2.94Å; Y322-G326 PolarHBondContact O-N 3.36Å; Y322-S327 PolarHBondContact N-O 3.04Å; Y322-V329 HydrophobicContact CE2-CB 4Å
323	S	90.6	Very high	96.5	Very high	9 Å²	9	10.5 Å²	10.5	6%	0.063	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-21.4	-162.7	63.1	0	0	0	0	117.7	E319 H351 R513	E319-S323 PolarHBondContact OE2-N 2.97Å; S323-H351 VanDerWaalsContact CB-CD2 3.46Å; S323-H351 WeakPolarHBondContact CB-CD2 3.2Å; S323-H351 WeakPolarHBondContact CB-NE2 3.49Å; S323-R513 WeakPolarHBondContact O-CD 3.44Å
324	M	91.3	Very high	96.5	Very high	43 Å²	43	6.8 Å²	6.8	21%	0.212	3%	0.034	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-34.4	179.5	-58.2	-59.9	128.5	0	0	113.1	Y322 P474 R511 R513	Y322-M324 VanDerWaalsContact C-N 3.31Å; Y322-M324 PolarHBondContact O-N 3.44Å; Y322-M324 VanDerWaalsContact O-N 3.11Å; M324-P474 WeakPolarHBondContact O-CB 3.43Å; M324-P474 WeakPolarHBondContact O-CG 3.35Å; M324-R511 PolarHBondContact O-NH1 2.88Å; M324-R513 PolarHBondContact SD-NH1 2.87Å
325	E	90.9	Very high	96.5	Very high	18 Å²	18	6.3 Å²	6.3	8%	0.084	3%	0.032	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-27.6	-174.5	-74.9	58	-127.2	0	0	112.9	F67 L265 Y322 S327 Y465 G466 P474 R511	F67-E325 HydrophobicContact CE1-CB 4.22Å; F67-E325 HydrophobicContact CE1-CG 4.38Å; L265-E325 HydrophobicContact CD1-CG 3.69Å; Y322-E325 PolarHBondContact O-N 2.94Å; E325-S327 WeakPolarHBondContact CB-OG 3.49Å; E325-S327 PolarHBondContact O-N 3.01Å; E325-Y465 CarbonylContact O-C 3.56Å; E325-G466 WeakPolarHBondContact O-CA 3.26Å; E325-G466 PolarHBondContact O-N 2.98Å; E325-P474 VanDerWaalsContact O-CG 3.31Å; E325-P474 WeakPolarHBondContact O-CG 3.39Å; E325-R511 IonicContact OE1-CZ 3.32Å; E325-R511 IonicContact OE1-NH1 3.72Å; E325-R511 PolarHBondContact OE1-NH1 2.85Å; E325-R511 IonicContact OE1-NH2 3.63Å; E325-R511 PolarHBondContact OE1-NH2 3.3Å
326	G	94.3	Very high	96.5	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	5%	0.05	C	C	.	.			trans	69.2	12.5	-171.7	0	0	0	0	0	114	Y322 G466 N467 S470	Y322-G326 PolarHBondContact O-N 3.36Å; G326-G466 WeakPolarHBondContact O-CA 3.47Å; G326-N467 PolarHBondContact O-N 2.87Å; G326-S470 WeakPolarHBondContact O-CB 3.43Å; G326-S470 PolarHBondContact O-OG 3.19Å
327	S	95.8	Very high	96.4	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.054	C	C	.	.			trans	-64.9	155	167.9	25.7	0	0	0	0	111.5	E65 H286 I321 Y322 E325	E65-S327 WeakPolarHBondContact OE1-CA 3.47Å; E65-S327 WeakPolarHBondContact OE1-CB 3.4Å; H286-S327 PolarHBondContact CE1-OG 3.05Å; H286-S327 PolarHBondContact NE2-OG 3.21Å; I321-S327 VanDerWaalsContact CA-O 3.32Å; I321-S327 WeakPolarHBondContact CA-O 3.48Å; Y322-S327 PolarHBondContact N-O 3.04Å; E325-S327 WeakPolarHBondContact CB-OG 3.49Å; E325-S327 PolarHBondContact O-N 3.01Å
328	I	97.5	Very high	96.4	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	6%	0.056	C	C	.	.	B	Isolated β-bridge	trans	-108.7	137	171	-69	175.4	0	0	0	107.9	F63 E65 N287 G320 I321 R330 L356 V363 Y366 F367 N467 D469	F63-I328 HydrophobicContact CE2-CB 3.98Å; F63-I328 HydrophobicContact CE2-CG2 3.96Å; F63-I328 HydrophobicContact CZ-CB 4.2Å; F63-I328 HydrophobicContact CZ-CG2 4.49Å; F63-I328 WeakPolarHBondContact CZ-O 3.26Å; E65-I328 PolarHBondContact OE1-N 3.17Å; N287-I328 PolarHBondContact ND2-O 3.21Å; G320-I328 WeakPolarHBondContact O-CA 3.28Å; I321-I328 HydrophobicContact CG1-CG1 3.81Å; I328-R330 PolarHBondContact O-N 3.15Å; I328-L356 HydrophobicContact CD1-CD1 3.62Å; I328-L356 HydrophobicContact CD1-CD2 4.22Å; I328-L356 HydrophobicContact CG1-CD1 4.04Å; I328-V363 HydrophobicContact CG2-CG1 3.81Å; I328-Y366 HydrophobicContact CD1-CE1 4.32Å; I328-Y366 HydrophobicContact CG2-CE1 4.47Å; I328-F367 HydrophobicContact CG2-CE2 4.07Å; I328-F367 HydrophobicContact CG2-CZ 3.92Å; I328-N467 HydrophobicContact CB-CB 4.18Å; I328-N467 HydrophobicContact CD1-CB 3.78Å; I328-N467 HydrophobicContact CG1-CB 3.77Å; I328-D469 HydrophobicContact CD1-CB 4.46Å
329	V	97.3	Very high	96.3	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.08	C	C	.	.			trans	-64.3	139.1	175.5	62.1	0	0	0	0	111.2	V318 E319 G320 Y322 L331 V334 L347 V363 F367	V318-V329 HydrophobicContact CB-CG2 4.08Å; V318-V329 HydrophobicContact CG1-CG2 4.14Å; V318-V329 HydrophobicContact CG2-CG2 4.25Å; E319-V329 VanDerWaalsContact O-CB 3.27Å; E319-V329 WeakPolarHBondContact O-CB 3.43Å; E319-V329 VanDerWaalsContact O-CG1 3.28Å; E319-V329 WeakPolarHBondContact O-CG1 3.4Å; G320-V329 PolarHBondContact O-N 2.99Å; Y322-V329 HydrophobicContact CE2-CB 4Å; V329-L331 HydrophobicContact CG1-CB 4.15Å; V329-L331 PolarHBondContact O-N 3.21Å; V329-V334 HydrophobicContact CG2-CG2 3.85Å; V329-L347 HydrophobicContact CG1-CD1 4.17Å; V329-V363 HydrophobicContact CG1-CG2 4.12Å; V329-F367 VanDerWaalsContact O-CE2 3.3Å; V329-F367 WeakPolarHBondContact O-CE2 3.45Å; V329-F367 WeakPolarHBondContact O-CZ 3.39Å
330	R	95.9	Very high	96.3	Very high	12 Å²	12	22.2 Å²	22.2	5%	0.045	11%	0.106	C	C	.	.			trans	-74.7	58.3	174.3	-68.1	166.6	89.4	-95.7	-10.8	110.7	F63 N287 I328 P332 E333 V334	F63-R330 HydrophobicContact CD1-CG 4.29Å; F63-R330 HydrophobicContact CE1-CG 3.59Å; F63-R330 HydrophobicContact CZ-CG 3.81Å; N287-R330 WeakPolarHBondContact OD1-CG 3.49Å; N287-R330 PolarHBondContact OD1-N 3Å; I328-R330 PolarHBondContact O-N 3.15Å; R330-P332 VanDerWaalsContact C-CD 3.44Å; R330-E333 IonicContact CZ-OE1 3.42Å; R330-E333 IonicContact CZ-OE2 3.62Å; R330-E333 IonicContact NH1-OE1 2.78Å; R330-E333 PolarHBondContact NH1-OE1 2.96Å; R330-E333 IonicContact NH1-OE2 3.46Å; R330-E333 PolarHBondContact NH1-OE2 3.43Å; R330-E333 IonicContact NH2-OE1 3.56Å; R330-E333 PolarHBondContact NH2-OE1 2.87Å; R330-E333 IonicContact NH2-OE2 2.78Å; R330-E333 PolarHBondContact NH2-OE2 3.42Å; R330-E333 PolarHBondContact O-N 3.44Å; R330-V334 PolarHBondContact O-N 3.11Å
331	L	97.4	Very high	96.3	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-53.4	-40.8	-168.2	-172	59.4	0	0	0	114.7	V329 E333 V334 V335 L345 L347 V363 V364 F367 L369	V329-L331 HydrophobicContact CG1-CB 4.15Å; V329-L331 PolarHBondContact O-N 3.21Å; L331-E333 PolarHBondContact O-N 3.48Å; L331-V334 HydrophobicContact CD1-CB 4.47Å; L331-V334 PolarHBondContact O-N 2.72Å; L331-V334 VanDerWaalsContact O-N 3.16Å; L331-V335 HydrophobicContact CD1-CG2 4.04Å; L331-V335 HydrophobicContact CG-CG2 4.19Å; L331-V335 WeakPolarHBondContact O-CB 3.27Å; L331-V335 WeakPolarHBondContact O-CG2 3.4Å; L331-V335 PolarHBondContact O-N 3.12Å; L331-L345 HydrophobicContact CD1-CD2 3.95Å; L331-L347 HydrophobicContact CD1-CD1 4.43Å; L331-L347 HydrophobicContact CD1-CD2 4.31Å; L331-L347 HydrophobicContact CD2-CD2 3.98Å; L331-V363 HydrophobicContact CD2-CB 4.35Å; L331-V363 HydrophobicContact CD2-CG2 3.75Å; L331-V364 HydrophobicContact CD2-CG2 3.97Å; L331-F367 HydrophobicContact CB-CD2 3.78Å; L331-F367 HydrophobicContact CB-CE2 3.81Å; L331-F367 HydrophobicContact CD2-CD2 4.49Å; L331-L369 HydrophobicContact CB-CD1 4.23Å; L331-L369 HydrophobicContact CD2-CD1 3.8Å; L331-L369 HydrophobicContact CG-CD1 3.72Å
332	P	96.8	Very high	96.2	Very high	9 Å²	9	33.1 Å²	33.1	6%	0.058	15%	0.153	C	C	.	.	H	α-helix	trans	-57.6	-35.9	176.9	-26	35.8	0	0	0	113	L58 Y59 R330 A336 F367 L369	L58-P332 HydrophobicContact CB-CB 4.1Å; Y59-P332 HydrophobicContact CE1-CG 4.06Å; R330-P332 VanDerWaalsContact C-CD 3.44Å; P332-A336 WeakPolarHBondContact O-CB 3.33Å; P332-A336 PolarHBondContact O-N 3.11Å; P332-F367 HydrophobicContact CG-CB 4.13Å; P332-F367 HydrophobicContact CG-CD1 3.96Å; P332-F367 HydrophobicContact CG-CD2 4.28Å; P332-F367 HydrophobicContact CG-CE1 4.47Å; P332-F367 HydrophobicContact CG-CG 3.86Å; P332-L369 HydrophobicContact CG-CD1 4.25Å
333	E	96.9	Very high	96.3	Very high	23 Å²	23	33.3 Å²	33.3	11%	0.107	16%	0.155	C	C	.	.	H	α-helix	trans	-78.5	-36.1	178	-67.8	174.3	-135.8	0	0	111.8	L58 Y59 M289 R330 L331 A336 L337	L58-E333 HydrophobicContact CD1-CG 3.61Å; Y59-E333 WeakPolarHBondContact CE2-OE1 3.47Å; Y59-E333 PolarHBondContact OH-OE1 2.88Å; M289-E333 HydrophobicContact CG-CB 3.71Å; M289-E333 WeakPolarHBondContact CG-OE2 3.34Å; M289-E333 HydrophobicContact SD-CB 4.02Å; R330-E333 IonicContact CZ-OE1 3.42Å; R330-E333 IonicContact CZ-OE2 3.62Å; R330-E333 IonicContact NH1-OE1 2.78Å; R330-E333 PolarHBondContact NH1-OE1 2.96Å; R330-E333 IonicContact NH1-OE2 3.46Å; R330-E333 PolarHBondContact NH1-OE2 3.43Å; R330-E333 IonicContact NH2-OE1 3.56Å; R330-E333 PolarHBondContact NH2-OE1 2.87Å; R330-E333 IonicContact NH2-OE2 2.78Å; R330-E333 PolarHBondContact NH2-OE2 3.42Å; R330-E333 PolarHBondContact O-N 3.44Å; L331-E333 PolarHBondContact O-N 3.48Å; E333-A336 PolarHBondContact O-N 3.14Å; E333-L337 WeakPolarHBondContact O-CB 3.49Å; E333-L337 WeakPolarHBondContact O-CG 3.31Å; E333-L337 PolarHBondContact O-N 2.7Å
334	V	98.3	Very high	96.7	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-60.7	-44.5	171.1	179.3	0	0	0	0	110.9	M289 L292 I316 V329 R330 L331 L337 K338 L345	M289-V334 HydrophobicContact CE-CG2 3.67Å; M289-V334 HydrophobicContact SD-CB 4.48Å; M289-V334 HydrophobicContact SD-CG2 3.53Å; M289-V334 VanDerWaalsContact SD-CG2 3.53Å; L292-V334 HydrophobicContact CD2-CG1 4.48Å; L292-V334 HydrophobicContact CD2-CG2 4.34Å; I316-V334 HydrophobicContact CG2-CG1 4.08Å; V329-V334 HydrophobicContact CG2-CG2 3.85Å; R330-V334 PolarHBondContact O-N 3.11Å; L331-V334 HydrophobicContact CD1-CB 4.47Å; L331-V334 PolarHBondContact O-N 2.72Å; L331-V334 VanDerWaalsContact O-N 3.16Å; V334-L337 PolarHBondContact O-N 2.97Å; V334-K338 WeakPolarHBondContact O-CB 3.48Å; V334-K338 PolarHBondContact O-N 3.48Å; V334-L345 HydrophobicContact CG1-CD1 3.67Å; V334-L345 HydrophobicContact CG1-CD2 4.19Å
335	V	98.3	Very high	97	Very high	6 Å²	6	35.9 Å²	35.9	4%	0.036	16%	0.161	C	C	.	.	H	α-helix	trans	-65.4	-40.8	176.7	167.1	0	0	0	0	111.5	L331 K338 K339 L345 L369 D373	L331-V335 HydrophobicContact CD1-CG2 4.04Å; L331-V335 HydrophobicContact CG-CG2 4.19Å; L331-V335 WeakPolarHBondContact O-CB 3.27Å; L331-V335 WeakPolarHBondContact O-CG2 3.4Å; L331-V335 PolarHBondContact O-N 3.12Å; V335-K338 WeakPolarHBondContact O-CB 3.44Å; V335-K338 PolarHBondContact O-N 2.96Å; V335-K339 HydrophobicContact CG1-CD 4.1Å; V335-K339 WeakPolarHBondContact O-CB 3.28Å; V335-K339 WeakPolarHBondContact O-CG 3.49Å; V335-K339 PolarHBondContact O-N 2.87Å; V335-L345 HydrophobicContact CG2-CD2 4.09Å; V335-L369 HydrophobicContact CG2-CD1 4.49Å; V335-D373 HydrophobicContact CG1-CB 3.76Å; V335-D373 WeakPolarHBondContact CG1-OD2 3.07Å; V335-D373 HydrophobicContact CG2-CB 4.22Å
336	A	97.9	Very high	97.4	Very high	49 Å²	49	35 Å²	35	41%	0.405	16%	0.157	S	C	.	.	H	α-helix	trans	-61.3	-44	174.4	0	0	0	0	0	111.9	P332 E333 R340	P332-A336 WeakPolarHBondContact O-CB 3.33Å; P332-A336 PolarHBondContact O-N 3.11Å; E333-A336 PolarHBondContact O-N 3.14Å; A336-R340 VanDerWaalsContact O-CB 3.26Å; A336-R340 WeakPolarHBondContact O-CB 3.33Å; A336-R340 PolarHBondContact O-N 3.04Å
337	L	98.1	Very high	97.6	Very high	13 Å²	13	35 Å²	35	7%	0.068	16%	0.157	C	C	.	.	H	α-helix	trans	-67.1	-42.9	175.8	-70.8	175.6	0	0	0	112.3	M289 L292 E293 L296 E333 V334 K339 R340 Y341	M289-L337 HydrophobicContact CB-CD1 4.16Å; M289-L337 HydrophobicContact SD-CD1 4.2Å; L292-L337 HydrophobicContact CB-CD1 4.25Å; L292-L337 HydrophobicContact CD2-CD1 4Å; L292-L337 HydrophobicContact CG-CD1 4.02Å; E293-L337 HydrophobicContact CB-CD1 4.24Å; E293-L337 HydrophobicContact CB-CD2 3.78Å; E293-L337 HydrophobicContact CG-CD2 4.11Å; L296-L337 HydrophobicContact CD1-CB 3.95Å; E333-L337 WeakPolarHBondContact O-CB 3.49Å; E333-L337 WeakPolarHBondContact O-CG 3.31Å; E333-L337 PolarHBondContact O-N 2.7Å; V334-L337 PolarHBondContact O-N 2.97Å; L337-K339 PolarHBondContact O-N 2.97Å; L337-R340 PolarHBondContact O-N 2.92Å; L337-Y341 HydrophobicContact CD2-CD2 4.19Å; L337-Y341 HydrophobicContact CD2-CE2 3.89Å; L337-Y341 WeakPolarHBondContact O-CB 3.47Å; L337-Y341 WeakPolarHBondContact O-CD2 3.16Å; L337-Y341 PolarHBondContact O-N 3.04Å
338	K	97.6	Very high	97.8	Very high	19 Å²	19	35.2 Å²	35.2	8%	0.083	16%	0.159	C	C	.	.	H	α-helix	trans	-50.8	-56.4	172.4	176.8	-153.6	159.9	164.4	0	110.5	I316 V334 V335 Y341 K342 A343 L345 D373 D375	I316-K338 HydrophobicContact CD1-CB 4.38Å; V334-K338 WeakPolarHBondContact O-CB 3.48Å; V334-K338 PolarHBondContact O-N 3.48Å; V335-K338 WeakPolarHBondContact O-CB 3.44Å; V335-K338 PolarHBondContact O-N 2.96Å; K338-Y341 PolarHBondContact O-N 3.23Å; K338-K342 WeakPolarHBondContact O-CA 3.18Å; K338-K342 PolarHBondContact O-N 3.29Å; K338-A343 WeakPolarHBondContact CG-O 3.5Å; K338-A343 PolarHBondContact O-N 3.16Å; K338-A343 VanDerWaalsContact O-N 3.11Å; K338-L345 HydrophobicContact CD-CB 3.9Å; K338-L345 HydrophobicContact CG-CB 4.36Å; K338-D373 WeakPolarHBondContact CD-O 3.46Å; K338-D373 PolarHBondContact NZ-O 2.9Å; K338-D375 WeakPolarHBondContact CE-OD2 3.5Å; K338-D375 IonicContact NZ-OD1 2.83Å; K338-D375 PolarHBondContact NZ-OD1 3.29Å; K338-D375 IonicContact NZ-OD2 3.43Å; K338-D375 PolarHBondContact NZ-OD2 3Å
339	K	97.6	Very high	97.8	Very high	114 Å²	114	35.3 Å²	35.3	50%	0.496	16%	0.159	S	C	.	.	H	α-helix	trans	-60.1	-48.9	-179	-74.5	175.2	173.4	177	0	111.8	V335 L337 Y341 K342 D373	V335-K339 HydrophobicContact CG1-CD 4.1Å; V335-K339 WeakPolarHBondContact O-CB 3.28Å; V335-K339 WeakPolarHBondContact O-CG 3.49Å; V335-K339 PolarHBondContact O-N 2.87Å; L337-K339 PolarHBondContact O-N 2.97Å; K339-Y341 VanDerWaalsContact C-N 3.33Å; K339-Y341 PolarHBondContact O-N 3.08Å; K339-K342 PolarHBondContact O-N 2.83Å; K339-D373 VanDerWaalsContact CE-CG 3.41Å; K339-D373 WeakPolarHBondContact CE-OD1 2.9Å; K339-D373 WeakPolarHBondContact CE-OD2 3.49Å; K339-D373 IonicContact NZ-OD1 2.69Å; K339-D373 PolarHBondContact NZ-OD1 3.29Å; K339-D373 IonicContact NZ-OD2 2.66Å; K339-D373 PolarHBondContact NZ-OD2 3.3Å
340	R	97.6	Very high	97.8	Very high	150 Å²	150	35.6 Å²	35.6	57%	0.566	16%	0.161	S	C	*	.	H	α-helix	trans	-61.3	-37.8	-178.7	-177.9	175	174.4	-145.9	-7	113.3	E293 A336 L337	E293-R340 IonicContact OE1-CZ 3.39Å; E293-R340 IonicContact OE1-NH1 3.76Å; E293-R340 PolarHBondContact OE1-NH1 2.86Å; E293-R340 IonicContact OE1-NH2 3.22Å; E293-R340 PolarHBondContact OE1-NH2 2.91Å; E293-R340 IonicContact OE2-NH1 2.99Å; E293-R340 PolarHBondContact OE2-NH1 3.04Å; A336-R340 VanDerWaalsContact O-CB 3.26Å; A336-R340 WeakPolarHBondContact O-CB 3.33Å; A336-R340 PolarHBondContact O-N 3.04Å; L337-R340 PolarHBondContact O-N 2.92Å
341	Y	97.4	Very high	97.9	Very high	35 Å²	35	35.5 Å²	35.5	14%	0.137	16%	0.161	C	C	.	.	H	α-helix	trans	-104.7	5.9	-175.4	-69.1	-67.4	0	0	0	114.5	E293 L296 I300 L337 K338 K339 A343	E293-Y341 HydrophobicContact CG-CE2 3.86Å; E293-Y341 PolarHBondContact OE1-OH 3.45Å; E293-Y341 VanDerWaalsContact OE1-OH 3.08Å; L296-Y341 HydrophobicContact CB-CD1 4.48Å; L296-Y341 HydrophobicContact CB-CD2 3.94Å; L296-Y341 HydrophobicContact CB-CE2 4.41Å; L296-Y341 HydrophobicContact CB-CG 3.96Å; L296-Y341 HydrophobicContact CD1-CD2 3.82Å; L296-Y341 HydrophobicContact CD1-CG 4.35Å; L296-Y341 HydrophobicContact CG-CD2 4.44Å; I300-Y341 HydrophobicContact CD1-CD1 3.54Å; I300-Y341 HydrophobicContact CD1-CE1 4.47Å; I300-Y341 HydrophobicContact CD1-CG 4.17Å; L337-Y341 HydrophobicContact CD2-CD2 4.19Å; L337-Y341 HydrophobicContact CD2-CE2 3.89Å; L337-Y341 WeakPolarHBondContact O-CB 3.47Å; L337-Y341 WeakPolarHBondContact O-CD2 3.16Å; L337-Y341 PolarHBondContact O-N 3.04Å; K338-Y341 PolarHBondContact O-N 3.23Å; K339-Y341 VanDerWaalsContact C-N 3.33Å; K339-Y341 PolarHBondContact O-N 3.08Å; Y341-A343 PolarHBondContact O-N 3.47Å
342	K	97.1	Very high	97.9	Very high	194 Å²	194	35.5 Å²	35.5	84%	0.843	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	52	39.6	-179.1	-56.7	-174.5	-179.9	-176.5	0	113.3	K338 K339	K338-K342 WeakPolarHBondContact O-CA 3.18Å; K338-K342 PolarHBondContact O-N 3.29Å; K339-K342 PolarHBondContact O-N 2.83Å
343	A	98.2	Very high	97.9	Very high	5 Å²	5	35.1 Å²	35.1	4%	0.041	16%	0.159	C	C	.	.			trans	-86.2	165.9	172.4	0	0	0	0	0	111.1	L296 I314 I316 K338 Y341	L296-A343 HydrophobicContact CD2-CB 4.03Å; I314-A343 HydrophobicContact CB-CB 4.29Å; I314-A343 HydrophobicContact CG2-CB 4.24Å; I316-A343 HydrophobicContact CD1-CB 3.99Å; I316-A343 HydrophobicContact CG1-CB 4.14Å; K338-A343 WeakPolarHBondContact CG-O 3.5Å; K338-A343 PolarHBondContact O-N 3.16Å; K338-A343 VanDerWaalsContact O-N 3.11Å; Y341-A343 PolarHBondContact O-N 3.47Å
344	Y	98.6	Very high	97.9	Very high	106 Å²	106	34 Å²	34	42%	0.416	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	158.7	165.5	-62.2	-82	0	0	0	110.3	K313 I314 I316 D375	K313-Y344 HydrophobicContact CB-CD2 4.17Å; K313-Y344 HydrophobicContact CB-CE2 4.15Å; K313-Y344 HydrophobicContact CD-CE2 4.28Å; K313-Y344 HydrophobicContact CG-CD2 4.41Å; K313-Y344 HydrophobicContact CG-CE2 3.98Å; I314-Y344 PolarHBondContact O-N 3.33Å; I316-Y344 PolarHBondContact N-O 2.95Å; Y344-D375 VanDerWaalsContact CA-OD2 3.28Å; Y344-D375 WeakPolarHBondContact CA-OD2 3.43Å; Y344-D375 HydrophobicContact CD1-CB 4.27Å
345	L	98.8	Very high	97.7	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	121	179.3	177.5	59.6	0	0	0	110.9	I316 V318 L331 V334 V335 K338 V374 D375 I376	I316-L345 HydrophobicContact CB-CD1 4.16Å; I316-L345 HydrophobicContact CG2-CD1 4.15Å; V318-L345 HydrophobicContact CG2-CD1 3.78Å; L331-L345 HydrophobicContact CD1-CD2 3.95Å; V334-L345 HydrophobicContact CG1-CD1 3.67Å; V334-L345 HydrophobicContact CG1-CD2 4.19Å; V335-L345 HydrophobicContact CG2-CD2 4.09Å; K338-L345 HydrophobicContact CD-CB 3.9Å; K338-L345 HydrophobicContact CG-CB 4.36Å; L345-V374 HydrophobicContact CD2-CG1 4.44Å; L345-V374 HydrophobicContact CD2-CG2 4.17Å; L345-V374 HydrophobicContact CG-CG1 4.37Å; L345-D375 PolarHBondContact N-OD2 2.59Å; L345-D375 PolarHBondContact O-N 2.89Å; L345-I376 PolarHBondContact O-N 3.48Å
346	Y	98.8	Very high	97.6	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	119.8	164.5	-161.5	-70.9	0	0	0	107.9	N246 I250 L253 L270 L315 I316 V317 V318 I376 M378	N246-Y346 VanDerWaalsContact OD1-CE1 3.28Å; N246-Y346 WeakPolarHBondContact OD1-CE1 3.4Å; N246-Y346 PolarHBondContact OD1-OH 2.97Å; N246-Y346 VanDerWaalsContact OD1-OH 3.06Å; I250-Y346 HydrophobicContact CD1-CE2 4.37Å; I250-Y346 HydrophobicContact CG1-CD2 4.25Å; I250-Y346 HydrophobicContact CG1-CE2 3.74Å; L253-Y346 HydrophobicContact CD1-CD2 4.07Å; L253-Y346 HydrophobicContact CD1-CE2 3.77Å; L270-Y346 HydrophobicContact CD2-CD1 4.13Å; L270-Y346 HydrophobicContact CD2-CE1 3.83Å; L315-Y346 HydrophobicContact CD2-CD2 4.45Å; I316-Y346 PolarHBondContact O-N 3.35Å; V317-Y346 WeakPolarHBondContact CA-O 3.42Å; V317-Y346 HydrophobicContact CG1-CD1 4.37Å; V318-Y346 PolarHBondContact N-O 3.15Å; V318-Y346 VanDerWaalsContact N-O 3.15Å; Y346-I376 HydrophobicContact CD2-CB 4.04Å; Y346-I376 HydrophobicContact CD2-CD1 4.04Å; Y346-I376 HydrophobicContact CD2-CG2 3.54Å; Y346-I376 HydrophobicContact CE2-CG2 3.54Å; Y346-I376 HydrophobicContact CG-CB 4.41Å; Y346-I376 HydrophobicContact CG-CG2 4.15Å; Y346-M378 HydrophobicContact CD1-CB 4.42Å; Y346-M378 HydrophobicContact CE1-CB 3.5Å; Y346-M378 VanDerWaalsContact CE1-CB 3.5Å; Y346-M378 HydrophobicContact CE1-CG 4.03Å; Y346-M378 WeakPolarHBondContact OH-CG 3.38Å
347	L	98.8	Very high	97.4	Very high	0 Å²	0	33 Å²	33	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	118.2	178.7	179.4	63.8	0	0	0	109.2	V318 V329 L331 E349 V363 V364 V374 I376 M378	V318-L347 HydrophobicContact CG2-CD1 3.84Å; V329-L347 HydrophobicContact CG1-CD1 4.17Å; L331-L347 HydrophobicContact CD1-CD1 4.43Å; L331-L347 HydrophobicContact CD1-CD2 4.31Å; L331-L347 HydrophobicContact CD2-CD2 3.98Å; L347-E349 HydrophobicContact CD2-CG 4.06Å; L347-E349 WeakPolarHBondContact CD2-OE1 3.31Å; L347-E349 HydrophobicContact CG-CG 4.08Å; L347-E349 PolarHBondContact O-N 3.04Å; L347-V363 HydrophobicContact CD1-CG2 4.06Å; L347-V363 HydrophobicContact CD2-CG2 3.91Å; L347-V363 HydrophobicContact CG-CG2 4.46Å; L347-V364 HydrophobicContact CD2-CG2 3.87Å; L347-V374 HydrophobicContact CB-CG1 3.72Å; L347-V374 HydrophobicContact CD2-CG1 4.26Å; L347-V374 HydrophobicContact CD2-CG2 3.99Å; L347-I376 PolarHBondContact N-O 3.21Å; L347-M378 PolarHBondContact O-N 2.96Å
348	D	98.6	Very high	97.2	Very high	5 Å²	5	37 Å²	37	3%	0.027	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	93.6	173.4	-175	-27.7	0	0	0	109.1	N246 L270 V318 E319 G320 A350 M378	N246-D348 PolarHBondContact ND2-OD2 2.72Å; L270-D348 HydrophobicContact CD1-CB 4.11Å; L270-D348 HydrophobicContact CD2-CB 4.35Å; V318-D348 PolarHBondContact O-N 3.37Å; E319-D348 CarbonylContact C-O 3.6Å; E319-D348 WeakPolarHBondContact CA-O 3.4Å; E319-D348 HydrophobicContact CG-CB 4.06Å; G320-D348 PolarHBondContact N-O 2.77Å; D348-A350 PolarHBondContact O-N 2.83Å; D348-A350 WeakPolarHBondContact OD1-CA 3.22Å; D348-A350 WeakPolarHBondContact OD1-CB 3.43Å; D348-A350 PolarHBondContact OD1-N 3.07Å; D348-M378 HydrophobicContact CB-SD 4.18Å; D348-M378 VanDerWaalsContact OD1-SD 3.42Å
349	E	97.9	Very high	97.1	Very high	1 Å²	1	40 Å²	40	1%	0.005	19%	0.19	C	C	.	.			trans	-76.1	9.5	175.8	-70.6	-79.3	-165.9	0	0	112.2	L347 H351 S352 I353 G362 V363 V364 M378	L347-E349 HydrophobicContact CD2-CG 4.06Å; L347-E349 WeakPolarHBondContact CD2-OE1 3.31Å; L347-E349 HydrophobicContact CG-CG 4.08Å; L347-E349 PolarHBondContact O-N 3.04Å; E349-H351 PolarHBondContact O-N 2.88Å; E349-S352 PolarHBondContact O-N 2.82Å; E349-S352 WeakPolarHBondContact OE2-CB 3.4Å; E349-S352 PolarHBondContact OE2-OG 2.95Å; E349-S352 VanDerWaalsContact OE2-OG 3.12Å; E349-I353 HydrophobicContact CB-CB 4.11Å; E349-I353 WeakPolarHBondContact O-CB 3.36Å; E349-I353 WeakPolarHBondContact O-CG2 3.3Å; E349-I353 PolarHBondContact O-N 3.4Å; E349-G362 VanDerWaalsContact OE2-CA 3.27Å; E349-G362 WeakPolarHBondContact OE2-CA 3.21Å; E349-V363 VanDerWaalsContact CD-N 3.31Å; E349-V363 WeakPolarHBondContact OE1-CG2 3.43Å; E349-V363 PolarHBondContact OE1-N 3.4Å; E349-V363 WeakPolarHBondContact OE2-CG2 3.15Å; E349-V363 PolarHBondContact OE2-N 3.35Å; E349-V364 PolarHBondContact OE1-N 3.44Å; E349-M378 WeakPolarHBondContact CB-O 3.22Å; E349-M378 PolarHBondContact N-O 2.98Å
350	A	97.3	Very high	97.1	Very high	6 Å²	6	34.6 Å²	34.6	5%	0.05	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-12.9	-165.6	0	0	0	0	0	115.4	D348 M378 T380 K383	D348-A350 PolarHBondContact O-N 2.83Å; D348-A350 WeakPolarHBondContact OD1-CA 3.22Å; D348-A350 WeakPolarHBondContact OD1-CB 3.43Å; D348-A350 PolarHBondContact OD1-N 3.07Å; A350-M378 HydrophobicContact CB-SD 4.44Å; A350-T380 HydrophobicContact CB-CG2 3.67Å; A350-T380 WeakPolarHBondContact O-CG2 3.24Å; A350-K383 VanDerWaalsContact C-NZ 3.35Å; A350-K383 WeakPolarHBondContact O-CD 3.37Å; A350-K383 WeakPolarHBondContact O-CE 3.46Å; A350-K383 PolarHBondContact O-NZ 3.16Å
351	H	97.9	Very high	97	Very high	10 Å²	10	31 Å²	31	5%	0.046	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.4	-4.5	171.3	-86.7	-72.3	0	0	0	114.3	Y180 Y182 I321 S323 E349 A355 K383	Y180-H351 AromaticContact CD1-CE1 3.83Å; Y180-H351 AromaticContact CE1-CE1 3.58Å; Y180-H351 AromaticContact CE2-CE1 3.84Å; Y180-H351 AromaticContact CZ-CE1 3.57Å; Y182-H351 AromaticContact CE2-ND1 3.93Å; Y182-H351 AromaticContact CZ-ND1 3.84Å; Y182-H351 PolarHBondContact OH-ND1 3.21Å; I321-H351 HydrophobicContact CB-CB 3.7Å; I321-H351 HydrophobicContact CG2-CB 3.83Å; I321-H351 WeakPolarHBondContact O-CB 3.37Å; S323-H351 VanDerWaalsContact CB-CD2 3.46Å; S323-H351 WeakPolarHBondContact CB-CD2 3.2Å; S323-H351 WeakPolarHBondContact CB-NE2 3.49Å; E349-H351 PolarHBondContact O-N 2.88Å; H351-A355 WeakPolarHBondContact O-CB 3.48Å; H351-K383 PolarHBondContact CD2-NZ 2.99Å; H351-K383 PolarHBondContact CE1-NZ 2.9Å; H351-K383 VanDerWaalsContact CE1-NZ 3.26Å; H351-K383 PolarHBondContact NE2-NZ 3.16Å
352	S	97.7	Very high	97	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.2	-30.3	-169.2	4.1	0	0	0	0	111.9	G320 I321 E349 G354 A355 L356 G362	G320-S352 VanDerWaalsContact CA-OG 3.31Å; G320-S352 WeakPolarHBondContact CA-OG 3.43Å; I321-S352 PolarHBondContact N-OG 3.12Å; E349-S352 PolarHBondContact O-N 2.82Å; E349-S352 WeakPolarHBondContact OE2-CB 3.4Å; E349-S352 PolarHBondContact OE2-OG 2.95Å; E349-S352 VanDerWaalsContact OE2-OG 3.12Å; S352-G354 PolarHBondContact O-N 2.88Å; S352-A355 CarbonylContact O-C 3.54Å; S352-A355 WeakPolarHBondContact O-CA 3.39Å; S352-A355 PolarHBondContact O-N 3.19Å; S352-L356 PolarHBondContact O-N 3.34Å; S352-G362 WeakPolarHBondContact O-CA 3.3Å
353	I	97.8	Very high	97.1	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.005	11%	0.106	C	C	.	.	B	Isolated β-bridge	trans	-58.6	128.9	169.8	-160.2	73.5	0	0	0	110.2	F230 L231 E349 A355 S384 F385 Y391	F230-I353 HydrophobicContact CD1-CD1 4.23Å; F230-I353 HydrophobicContact CE1-CD1 3.63Å; F230-I353 HydrophobicContact CE1-CG1 3.92Å; L231-I353 HydrophobicContact CD2-CD1 3.9Å; E349-I353 HydrophobicContact CB-CB 4.11Å; E349-I353 WeakPolarHBondContact O-CB 3.36Å; E349-I353 WeakPolarHBondContact O-CG2 3.3Å; E349-I353 PolarHBondContact O-N 3.4Å; I353-A355 PolarHBondContact O-N 2.89Å; I353-A355 VanDerWaalsContact O-N 3.12Å; I353-S384 WeakPolarHBondContact O-CB 3.38Å; I353-S384 PolarHBondContact O-OG 3.42Å; I353-F385 HydrophobicContact CG1-CE2 3.97Å; I353-F385 HydrophobicContact CG1-CZ 3.93Å; I353-F385 HydrophobicContact CG2-CE2 3.91Å; I353-Y391 WeakPolarHBondContact CD1-OH 3.36Å; I353-Y391 HydrophobicContact CG1-CE1 4.49Å; I353-Y391 VanDerWaalsContact CG1-OH 3.27Å; I353-Y391 WeakPolarHBondContact CG1-OH 3.39Å
354	G	95.4	Very high	97	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.1	-3.1	-169.8	0	0	0	0	0	115.4	L183 S352 G360	L183-G354 WeakPolarHBondContact CD1-O 3.36Å; L183-G354 VanDerWaalsContact CD2-O 3.32Å; L183-G354 WeakPolarHBondContact CD2-O 3.26Å; L183-G354 WeakPolarHBondContact CG-O 3.47Å; S352-G354 PolarHBondContact O-N 2.88Å; G354-G360 VanDerWaalsContact CA-O 3.27Å; G354-G360 WeakPolarHBondContact CA-O 3.08Å; G354-G360 PolarHBondContact N-O 3.1Å
355	A	95.6	Very high	96.9	Very high	11 Å²	11	16.3 Å²	16.3	9%	0.091	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.2	-22.5	-175.9	0	0	0	0	0	113.6	Y182 H351 S352 I353 L446 P471	Y182-A355 HydrophobicContact CD2-CB 4.1Å; Y182-A355 HydrophobicContact CG-CB 4.12Å; H351-A355 WeakPolarHBondContact O-CB 3.48Å; S352-A355 CarbonylContact O-C 3.54Å; S352-A355 WeakPolarHBondContact O-CA 3.39Å; S352-A355 PolarHBondContact O-N 3.19Å; I353-A355 PolarHBondContact O-N 2.89Å; I353-A355 VanDerWaalsContact O-N 3.12Å; A355-L446 HydrophobicContact CB-CD2 4.23Å; A355-P471 HydrophobicContact CB-CG 4.1Å
356	L	95.6	Very high	96.8	Very high	8 Å²	8	18.4 Å²	18.4	4%	0.042	10%	0.101	C	C	.	.	S	Bend	trans	-131.9	156.3	178.1	-70.2	-174.7	0	0	0	111.8	I321 I328 S352 G360 R361 G362 V363 Y366 D469	I321-L356 HydrophobicContact CD1-CD1 3.58Å; I321-L356 HydrophobicContact CD1-CD2 4.33Å; I321-L356 HydrophobicContact CD1-CG 3.73Å; I321-L356 HydrophobicContact CG1-CD1 3.83Å; I328-L356 HydrophobicContact CD1-CD1 3.62Å; I328-L356 HydrophobicContact CD1-CD2 4.22Å; I328-L356 HydrophobicContact CG1-CD1 4.04Å; S352-L356 PolarHBondContact O-N 3.34Å; L356-G360 CarbonylContact O-C 3.53Å; L356-G360 VanDerWaalsContact O-C 3.25Å; L356-G360 WeakPolarHBondContact O-CA 3.4Å; L356-R361 PolarHBondContact O-N 2.71Å; L356-G362 PolarHBondContact O-N 3.13Å; L356-V363 HydrophobicContact CD1-CG1 3.65Å; L356-Y366 HydrophobicContact CD1-CG 4.5Å; L356-Y366 HydrophobicContact CD2-CD2 4.24Å; L356-D469 HydrophobicContact CD2-CB 4.27Å; L356-D469 WeakPolarHBondContact CD2-O 3.33Å
357	G	94	Very high	96.7	Very high	15 Å²	15	19.6 Å²	19.6	16%	0.155	11%	0.106	C	C	.	.	S	Bend	trans	89.1	147.5	-180	0	0	0	0	0	112.9	N359 G360 D365	G357-N359 PolarHBondContact O-N 2.68Å; G357-G360 PolarHBondContact O-N 2.64Å; G357-D365 WeakPolarHBondContact CA-OD2 3.32Å
358	P	93.5	Very high	96.5	Very high	97 Å²	97	21.5 Å²	21.5	63%	0.63	13%	0.126	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-21.8	-179.2	26.3	-34.9	0	0	0	113.6	D365	P358-D365 WeakPolarHBondContact CD-OD2 3.44Å
359	N	95.7	Very high	96.4	Very high	82 Å²	82	23.5 Å²	23.5	44%	0.439	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.9	7.3	175.9	-53	-81.7	0	0	0	112.1	G357 R361 D365	G357-N359 PolarHBondContact O-N 2.68Å; N359-R361 VanDerWaalsContact C-N 3.27Å; N359-R361 HydrophobicContact CB-CG 3.95Å; N359-R361 PolarHBondContact O-N 3.41Å; N359-D365 WeakPolarHBondContact CA-OD2 3.17Å; N359-D365 WeakPolarHBondContact CB-OD2 3.46Å; N359-D365 PolarHBondContact N-OD2 3.35Å; N359-D365 PolarHBondContact ND2-OD1 2.95Å
360	G	96.3	Very high	96.3	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.151	C	C	.	.	S	Bend	trans	68.3	16.9	-176.3	0	0	0	0	0	114.9	F230 G354 L356 G357 G362 D365	F230-G360 WeakPolarHBondContact CZ-O 3.41Å; G354-G360 VanDerWaalsContact CA-O 3.27Å; G354-G360 WeakPolarHBondContact CA-O 3.08Å; G354-G360 PolarHBondContact N-O 3.1Å; L356-G360 CarbonylContact O-C 3.53Å; L356-G360 VanDerWaalsContact O-C 3.25Å; L356-G360 WeakPolarHBondContact O-CA 3.4Å; G357-G360 PolarHBondContact O-N 2.64Å; G360-G362 VanDerWaalsContact C-N 3.3Å; G360-G362 PolarHBondContact O-N 2.88Å; G360-D365 PolarHBondContact N-OD2 3.24Å
361	R	96.9	Very high	96.2	Very high	75 Å²	75	27.5 Å²	27.5	28%	0.283	16%	0.159	S	C	.	.	B	Isolated β-bridge	trans	-89.8	15.6	-172.1	-53.1	168.7	178.2	-133.3	1.2	114.2	R229 F230 L356 N359 D365	R229-R361 PolarHBondContact O-NH1 3.19Å; F230-R361 HydrophobicContact CD2-CG 4.27Å; F230-R361 HydrophobicContact CE1-CG 4.47Å; F230-R361 HydrophobicContact CE2-CG 3.94Å; F230-R361 HydrophobicContact CZ-CG 4.06Å; F230-R361 WeakPolarHBondContact O-CD 3.22Å; F230-R361 VanDerWaalsContact O-CG 3.3Å; F230-R361 WeakPolarHBondContact O-CG 3.34Å; F230-R361 PolarHBondContact O-NE 3.24Å; F230-R361 PolarHBondContact O-NH1 3.49Å; L356-R361 PolarHBondContact O-N 2.71Å; N359-R361 VanDerWaalsContact C-N 3.27Å; N359-R361 HydrophobicContact CB-CG 3.95Å; N359-R361 PolarHBondContact O-N 3.41Å; R361-D365 HydrophobicContact CB-CB 3.67Å; R361-D365 PolarHBondContact N-OD2 3.49Å
362	G	97.4	Very high	96	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.19	C	C	.	.			trans	94.5	-162.8	174.2	0	0	0	0	0	114.7	E349 S352 L356 G360 V364 D365 Y366	E349-G362 VanDerWaalsContact OE2-CA 3.27Å; E349-G362 WeakPolarHBondContact OE2-CA 3.21Å; S352-G362 WeakPolarHBondContact O-CA 3.3Å; L356-G362 PolarHBondContact O-N 3.13Å; G360-G362 VanDerWaalsContact C-N 3.3Å; G360-G362 PolarHBondContact O-N 2.88Å; G362-V364 PolarHBondContact O-N 3.36Å; G362-D365 PolarHBondContact O-N 2.94Å; G362-Y366 WeakPolarHBondContact O-CB 3.12Å; G362-Y366 PolarHBondContact O-N 3.43Å
363	V	97.6	Very high	96	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-65.8	-27.5	-177.9	-69.1	0	0	0	0	112.8	G320 I328 V329 L331 L347 E349 L356 D365 Y366 F367	G320-V363 WeakPolarHBondContact O-CG1 3.36Å; I328-V363 HydrophobicContact CG2-CG1 3.81Å; V329-V363 HydrophobicContact CG1-CG2 4.12Å; L331-V363 HydrophobicContact CD2-CB 4.35Å; L331-V363 HydrophobicContact CD2-CG2 3.75Å; L347-V363 HydrophobicContact CD1-CG2 4.06Å; L347-V363 HydrophobicContact CD2-CG2 3.91Å; L347-V363 HydrophobicContact CG-CG2 4.46Å; E349-V363 VanDerWaalsContact CD-N 3.31Å; E349-V363 WeakPolarHBondContact OE1-CG2 3.43Å; E349-V363 PolarHBondContact OE1-N 3.4Å; E349-V363 WeakPolarHBondContact OE2-CG2 3.15Å; E349-V363 PolarHBondContact OE2-N 3.35Å; L356-V363 HydrophobicContact CD1-CG1 3.65Å; V363-D365 PolarHBondContact O-N 2.93Å; V363-Y366 PolarHBondContact O-N 2.91Å; V363-F367 HydrophobicContact CB-CD2 4.35Å; V363-F367 HydrophobicContact CB-CE2 4.24Å; V363-F367 WeakPolarHBondContact O-CD2 3.36Å; V363-F367 PolarHBondContact O-N 2.67Å; V363-F367 VanDerWaalsContact O-N 3.07Å
364	V	97.3	Very high	96	Very high	8 Å²	8	37.8 Å²	37.8	5%	0.048	20%	0.2	C	C	.	.	H	α-helix	trans	-56.9	-48.6	173.3	176.1	0	0	0	0	111.2	L331 L347 E349 G362 G368 L369 P371 V374 M377	L331-V364 HydrophobicContact CD2-CG2 3.97Å; L347-V364 HydrophobicContact CD2-CG2 3.87Å; E349-V364 PolarHBondContact OE1-N 3.44Å; G362-V364 PolarHBondContact O-N 3.36Å; V364-G368 WeakPolarHBondContact O-CA 3.36Å; V364-G368 PolarHBondContact O-N 3.46Å; V364-L369 HydrophobicContact CG1-CB 4.35Å; V364-L369 PolarHBondContact O-N 2.91Å; V364-P371 HydrophobicContact CG1-CG 4.29Å; V364-V374 HydrophobicContact CG2-CG2 3.91Å; V364-M377 HydrophobicContact CG1-CE 4.32Å; V364-M377 HydrophobicContact CG2-CE 3.91Å
365	D	96.4	Very high	96.1	Very high	23 Å²	23	39.6 Å²	39.6	12%	0.123	21%	0.21	C	C	.	.	H	α-helix	trans	-78	-33.9	-178.8	173.6	53.3	0	0	0	112.4	G357 P358 N359 G360 R361 G362 V363 F367 G368	G357-D365 WeakPolarHBondContact CA-OD2 3.32Å; P358-D365 WeakPolarHBondContact CD-OD2 3.44Å; N359-D365 WeakPolarHBondContact CA-OD2 3.17Å; N359-D365 WeakPolarHBondContact CB-OD2 3.46Å; N359-D365 PolarHBondContact N-OD2 3.35Å; N359-D365 PolarHBondContact ND2-OD1 2.95Å; G360-D365 PolarHBondContact N-OD2 3.24Å; R361-D365 HydrophobicContact CB-CB 3.67Å; R361-D365 PolarHBondContact N-OD2 3.49Å; G362-D365 PolarHBondContact O-N 2.94Å; V363-D365 PolarHBondContact O-N 2.93Å; D365-F367 PolarHBondContact O-N 2.72Å; D365-G368 PolarHBondContact O-N 2.99Å
366	Y	96.6	Very high	96.3	Very high	45 Å²	45	39.5 Å²	39.5	18%	0.176	21%	0.208	C	C	.	.	H	α-helix	trans	-55.8	-44.4	170	177.3	-102.9	0	0	0	113.4	I328 L356 G362 V363 D469	I328-Y366 HydrophobicContact CD1-CE1 4.32Å; I328-Y366 HydrophobicContact CG2-CE1 4.47Å; L356-Y366 HydrophobicContact CD1-CG 4.5Å; L356-Y366 HydrophobicContact CD2-CD2 4.24Å; G362-Y366 WeakPolarHBondContact O-CB 3.12Å; G362-Y366 PolarHBondContact O-N 3.43Å; V363-Y366 PolarHBondContact O-N 2.91Å; Y366-D469 HydrophobicContact CE2-CB 3.88Å; Y366-D469 VanDerWaalsContact CE2-OD2 3.25Å; Y366-D469 WeakPolarHBondContact CE2-OD2 3.24Å; Y366-D469 PolarHBondContact OH-OD2 2.99Å
367	F	95.9	Very high	96.4	Very high	24 Å²	24	39.3 Å²	39.3	11%	0.105	21%	0.207	C	C	.	.	H	α-helix	trans	-83.5	-15.5	173.9	-65.5	-61.1	0	0	0	112.9	Y59 F63 I328 V329 L331 P332 V363 D365 L369	Y59-F367 HydrophobicContact CD1-CD1 4Å; Y59-F367 AromaticContact CD1-CE1 3.68Å; Y59-F367 HydrophobicContact CD1-CE1 3.68Å; Y59-F367 HydrophobicContact CE1-CD1 4.17Å; Y59-F367 AromaticContact CE1-CE1 3.59Å; Y59-F367 HydrophobicContact CE1-CE1 3.59Å; Y59-F367 HydrophobicContact CE1-CZ 4.23Å; F63-F367 HydrophobicContact CD2-CE1 4.06Å; F63-F367 HydrophobicContact CD2-CZ 4.13Å; F63-F367 HydrophobicContact CE2-CE1 4.31Å; F63-F367 AromaticContact CE2-CZ 3.91Å; F63-F367 HydrophobicContact CE2-CZ 3.91Å; I328-F367 HydrophobicContact CG2-CE2 4.07Å; I328-F367 HydrophobicContact CG2-CZ 3.92Å; V329-F367 VanDerWaalsContact O-CE2 3.3Å; V329-F367 WeakPolarHBondContact O-CE2 3.45Å; V329-F367 WeakPolarHBondContact O-CZ 3.39Å; L331-F367 HydrophobicContact CB-CD2 3.78Å; L331-F367 HydrophobicContact CB-CE2 3.81Å; L331-F367 HydrophobicContact CD2-CD2 4.49Å; P332-F367 HydrophobicContact CG-CB 4.13Å; P332-F367 HydrophobicContact CG-CD1 3.96Å; P332-F367 HydrophobicContact CG-CD2 4.28Å; P332-F367 HydrophobicContact CG-CE1 4.47Å; P332-F367 HydrophobicContact CG-CG 3.86Å; V363-F367 HydrophobicContact CB-CD2 4.35Å; V363-F367 HydrophobicContact CB-CE2 4.24Å; V363-F367 WeakPolarHBondContact O-CD2 3.36Å; V363-F367 PolarHBondContact O-N 2.67Å; V363-F367 VanDerWaalsContact O-N 3.07Å; D365-F367 PolarHBondContact O-N 2.72Å; F367-L369 HydrophobicContact CB-CD1 4.03Å; F367-L369 HydrophobicContact CB-CG 3.87Å
368	G	95.2	Very high	96.6	Very high	41 Å²	41	38.7 Å²	38.7	42%	0.423	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.9	45.6	-174.7	0	0	0	0	0	112.3	V364 D365	V364-G368 WeakPolarHBondContact O-CA 3.36Å; V364-G368 PolarHBondContact O-N 3.46Å; D365-G368 PolarHBondContact O-N 2.99Å
369	L	95.8	Very high	96.7	Very high	46 Å²	46	34.1 Å²	34.1	24%	0.241	17%	0.17	C	C	.	.			trans	-88.5	161.5	175	-64.6	172.8	0	0	0	110.9	L331 P332 V335 V364 F367	L331-L369 HydrophobicContact CB-CD1 4.23Å; L331-L369 HydrophobicContact CD2-CD1 3.8Å; L331-L369 HydrophobicContact CG-CD1 3.72Å; P332-L369 HydrophobicContact CG-CD1 4.25Å; V335-L369 HydrophobicContact CG2-CD1 4.49Å; V364-L369 HydrophobicContact CG1-CB 4.35Å; V364-L369 PolarHBondContact O-N 2.91Å; F367-L369 HydrophobicContact CB-CD1 4.03Å; F367-L369 HydrophobicContact CB-CG 3.87Å
370	D	95.6	Very high	96.8	Very high	59 Å²	59	30.5 Å²	30.5	32%	0.316	15%	0.151	S	C	.	.			trans	-72.6	125.4	172.1	-169.9	-36.8	0	0	0	109.8	R372 D373	D370-R372 PolarHBondContact O-N 2.98Å; D370-R372 VanDerWaalsContact OD1-CB 3.23Å; D370-R372 WeakPolarHBondContact OD1-CB 3.47Å; D370-R372 VanDerWaalsContact OD1-CG 3.32Å; D370-R372 WeakPolarHBondContact OD1-CG 3.38Å; D370-R372 IonicContact OD1-CZ 3.8Å; D370-R372 PolarHBondContact OD1-N 2.84Å; D370-R372 IonicContact OD1-NE 2.92Å; D370-R372 PolarHBondContact OD1-NE 3.19Å; D370-R372 IonicContact OD1-NH2 3.83Å; D370-R372 IonicContact OD2-CZ 3.31Å; D370-R372 VanDerWaalsContact OD2-CZ 3.31Å; D370-R372 IonicContact OD2-NE 3.13Å; D370-R372 PolarHBondContact OD2-NE 3.13Å; D370-R372 VanDerWaalsContact OD2-NE 3.13Å; D370-R372 IonicContact OD2-NH2 2.68Å; D370-R372 PolarHBondContact OD2-NH2 3.28Å; D370-D373 WeakPolarHBondContact O-CB 3.44Å; D370-D373 PolarHBondContact O-N 3.17Å
371	P	95.8	Very high	96.9	Very high	32 Å²	32	30.5 Å²	30.5	21%	0.208	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-49.6	-33.7	174.5	-31.8	38.2	0	0	0	114.1	L231 G232 V233 V364 D373 V374 M377	L231-P371 WeakPolarHBondContact O-CG 3.35Å; G232-P371 WeakPolarHBondContact O-CB 3.2Å; V233-P371 HydrophobicContact CG1-CB 4.27Å; V364-P371 HydrophobicContact CG1-CG 4.29Å; P371-D373 PolarHBondContact O-N 3.3Å; P371-D373 VanDerWaalsContact O-N 3.15Å; P371-V374 PolarHBondContact O-N 2.78Å; P371-V374 VanDerWaalsContact O-N 3.08Å; P371-M377 VanDerWaalsContact CA-CE 3.47Å; P371-M377 HydrophobicContact CB-CE 3.58Å; P371-M377 VanDerWaalsContact O-CE 3.27Å; P371-M377 WeakPolarHBondContact O-CE 3.29Å
372	R	94.3	Very high	96.9	Very high	188 Å²	188	30.1 Å²	30.1	71%	0.709	16%	0.157	S	C	*	.	G	3₁₀ helix	trans	-69.8	-9.1	-178.2	-56.9	171.5	-67.6	-173.9	2.1	113.5	D370 V374	D370-R372 PolarHBondContact O-N 2.98Å; D370-R372 VanDerWaalsContact OD1-CB 3.23Å; D370-R372 WeakPolarHBondContact OD1-CB 3.47Å; D370-R372 VanDerWaalsContact OD1-CG 3.32Å; D370-R372 WeakPolarHBondContact OD1-CG 3.38Å; D370-R372 IonicContact OD1-CZ 3.8Å; D370-R372 PolarHBondContact OD1-N 2.84Å; D370-R372 IonicContact OD1-NE 2.92Å; D370-R372 PolarHBondContact OD1-NE 3.19Å; D370-R372 IonicContact OD1-NH2 3.83Å; D370-R372 IonicContact OD2-CZ 3.31Å; D370-R372 VanDerWaalsContact OD2-CZ 3.31Å; D370-R372 IonicContact OD2-NE 3.13Å; D370-R372 PolarHBondContact OD2-NE 3.13Å; D370-R372 VanDerWaalsContact OD2-NE 3.13Å; D370-R372 IonicContact OD2-NH2 2.68Å; D370-R372 PolarHBondContact OD2-NH2 3.28Å; R372-V374 VanDerWaalsContact C-N 3.29Å
373	D	96.3	Very high	96.8	Very high	31 Å²	31	31.1 Å²	31.1	17%	0.166	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-76.4	-15.2	171	-79.7	-13.7	0	0	0	113.4	V335 K338 K339 D370 P371	V335-D373 HydrophobicContact CG1-CB 3.76Å; V335-D373 WeakPolarHBondContact CG1-OD2 3.07Å; V335-D373 HydrophobicContact CG2-CB 4.22Å; K338-D373 WeakPolarHBondContact CD-O 3.46Å; K338-D373 PolarHBondContact NZ-O 2.9Å; K339-D373 VanDerWaalsContact CE-CG 3.41Å; K339-D373 WeakPolarHBondContact CE-OD1 2.9Å; K339-D373 WeakPolarHBondContact CE-OD2 3.49Å; K339-D373 IonicContact NZ-OD1 2.69Å; K339-D373 PolarHBondContact NZ-OD1 3.29Å; K339-D373 IonicContact NZ-OD2 2.66Å; K339-D373 PolarHBondContact NZ-OD2 3.3Å; D370-D373 WeakPolarHBondContact O-CB 3.44Å; D370-D373 PolarHBondContact O-N 3.17Å; P371-D373 PolarHBondContact O-N 3.3Å; P371-D373 VanDerWaalsContact O-N 3.15Å
374	V	98.2	Very high	96.8	Very high	8 Å²	8	31.1 Å²	31.1	5%	0.048	16%	0.162	C	C	.	.			trans	-102.6	129.6	172.1	-174.9	0	0	0	0	108.6	L345 L347 V364 P371 R372 M377	L345-V374 HydrophobicContact CD2-CG1 4.44Å; L345-V374 HydrophobicContact CD2-CG2 4.17Å; L345-V374 HydrophobicContact CG-CG1 4.37Å; L347-V374 HydrophobicContact CB-CG1 3.72Å; L347-V374 HydrophobicContact CD2-CG1 4.26Å; L347-V374 HydrophobicContact CD2-CG2 3.99Å; V364-V374 HydrophobicContact CG2-CG2 3.91Å; P371-V374 PolarHBondContact O-N 2.78Å; P371-V374 VanDerWaalsContact O-N 3.08Å; R372-V374 VanDerWaalsContact C-N 3.29Å; V374-M377 HydrophobicContact CB-CE 3.99Å; V374-M377 HydrophobicContact CB-CG 4.1Å; V374-M377 HydrophobicContact CG1-CG 3.78Å; V374-M377 HydrophobicContact CG2-CE 4.25Å
375	D	98.4	Very high	96.8	Very high	39 Å²	39	30.8 Å²	30.8	21%	0.209	16%	0.159	C	C	.	.	S	Bend	trans	-83	-35.8	-177.3	-47.4	-78.4	0	0	0	112	K338 Y344 L345 L398	K338-D375 WeakPolarHBondContact CE-OD2 3.5Å; K338-D375 IonicContact NZ-OD1 2.83Å; K338-D375 PolarHBondContact NZ-OD1 3.29Å; K338-D375 IonicContact NZ-OD2 3.43Å; K338-D375 PolarHBondContact NZ-OD2 3Å; Y344-D375 VanDerWaalsContact CA-OD2 3.28Å; Y344-D375 WeakPolarHBondContact CA-OD2 3.43Å; Y344-D375 HydrophobicContact CD1-CB 4.27Å; L345-D375 PolarHBondContact N-OD2 2.59Å; L345-D375 PolarHBondContact O-N 2.89Å; D375-L398 WeakPolarHBondContact O-CD2 3.33Å
376	I	98.6	Very high	96.7	Very high	9 Å²	9	30.8 Å²	30.8	5%	0.046	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	104.6	-175.6	-57	142	0	0	0	107.6	L253 L315 L345 Y346 L347 I392 L398	L253-I376 HydrophobicContact CD1-CD1 4.02Å; L253-I376 HydrophobicContact CD1-CG1 4.49Å; L253-I376 HydrophobicContact CD1-CG2 4.4Å; L253-I376 HydrophobicContact CD2-CD1 4.47Å; L315-I376 HydrophobicContact CD1-CD1 3.98Å; L345-I376 PolarHBondContact O-N 3.48Å; Y346-I376 HydrophobicContact CD2-CB 4.04Å; Y346-I376 HydrophobicContact CD2-CD1 4.04Å; Y346-I376 HydrophobicContact CD2-CG2 3.54Å; Y346-I376 HydrophobicContact CE2-CG2 3.54Å; Y346-I376 HydrophobicContact CG-CB 4.41Å; Y346-I376 HydrophobicContact CG-CG2 4.15Å; L347-I376 PolarHBondContact N-O 3.21Å; I376-I392 HydrophobicContact CG2-CG2 3.74Å; I376-L398 HydrophobicContact CG1-CD1 4.37Å; I376-L398 HydrophobicContact CG1-CD2 3.7Å
377	M	98.2	Very high	96.7	Very high	4 Å²	4	29.7 Å²	29.7	2%	0.02	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	111.6	171.2	-67	-170.8	-177.4	0	0	109.4	L231 V233 V364 P371 V374 I392 G393	L231-M377 HydrophobicContact CB-SD 4.05Å; L231-M377 HydrophobicContact CD1-CB 4.5Å; L231-M377 HydrophobicContact CD2-SD 4.03Å; L231-M377 HydrophobicContact CG-SD 4.44Å; V233-M377 HydrophobicContact CG1-CE 4.16Å; V233-M377 HydrophobicContact CG1-SD 3.93Å; V364-M377 HydrophobicContact CG1-CE 4.32Å; V364-M377 HydrophobicContact CG2-CE 3.91Å; P371-M377 VanDerWaalsContact CA-CE 3.47Å; P371-M377 HydrophobicContact CB-CE 3.58Å; P371-M377 VanDerWaalsContact O-CE 3.27Å; P371-M377 WeakPolarHBondContact O-CE 3.29Å; V374-M377 HydrophobicContact CB-CE 3.99Å; V374-M377 HydrophobicContact CB-CG 4.1Å; V374-M377 HydrophobicContact CG1-CG 3.78Å; V374-M377 HydrophobicContact CG2-CE 4.25Å; M377-I392 CarbonylContact O-C 3.25Å; M377-I392 VanDerWaalsContact O-CA 3.3Å; M377-I392 WeakPolarHBondContact O-CA 3.38Å; M377-G393 PolarHBondContact N-O 2.91Å; M377-G393 PolarHBondContact O-N 3.01Å
378	M	97.7	Very high	96.7	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.01	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	148.3	172.3	-179.5	-84.2	175.3	0	0	109.9	G242 T245 N246 Y346 L347 D348 E349 A350 Y391 I392	G242-M378 VanDerWaalsContact O-CE 3.28Å; G242-M378 WeakPolarHBondContact O-CE 3.25Å; T245-M378 HydrophobicContact CG2-CE 3.8Å; T245-M378 HydrophobicContact CG2-CG 3.79Å; N246-M378 WeakPolarHBondContact ND2-CE 3.37Å; N246-M378 WeakPolarHBondContact OD1-CG 3.41Å; Y346-M378 HydrophobicContact CD1-CB 4.42Å; Y346-M378 HydrophobicContact CE1-CB 3.5Å; Y346-M378 VanDerWaalsContact CE1-CB 3.5Å; Y346-M378 HydrophobicContact CE1-CG 4.03Å; Y346-M378 WeakPolarHBondContact OH-CG 3.38Å; L347-M378 PolarHBondContact O-N 2.96Å; D348-M378 HydrophobicContact CB-SD 4.18Å; D348-M378 VanDerWaalsContact OD1-SD 3.42Å; E349-M378 WeakPolarHBondContact CB-O 3.22Å; E349-M378 PolarHBondContact N-O 2.98Å; A350-M378 HydrophobicContact CB-SD 4.44Å; M378-Y391 WeakPolarHBondContact CA-O 3.47Å; M378-I392 HydrophobicContact CB-CG1 4.39Å; M378-I392 HydrophobicContact CG-CG1 4.39Å
379	G	97.5	Very high	96.7	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	-177.8	166.1	0	0	0	0	0	113.4	G390 Y391	G379-G390 CarbonylContact O-C 3.49Å; G379-G390 WeakPolarHBondContact O-CA 3.47Å; G379-Y391 VanDerWaalsContact CA-CZ 3.44Å; G379-Y391 PolarHBondContact N-O 3.24Å; G379-Y391 VanDerWaalsContact N-O 3.12Å; G379-Y391 PolarHBondContact O-N 3.09Å
380	T	97.4	Very high	96.8	Very high	6 Å²	6	26.4 Å²	26.4	4%	0.037	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	145.3	-177.8	-162.8	0	0	0	0	111.4	A350 T382 K383 G389	A350-T380 HydrophobicContact CB-CG2 3.67Å; A350-T380 WeakPolarHBondContact O-CG2 3.24Å; T380-T382 WeakPolarHBondContact CG2-OG1 3Å; T380-T382 PolarHBondContact OG1-N 2.77Å; T380-T382 PolarHBondContact OG1-OG1 3.03Å; T380-K383 HydrophobicContact CG2-CB 4.22Å; T380-K383 HydrophobicContact CG2-CD 4.03Å; T380-K383 HydrophobicContact CG2-CG 3.74Å; T380-G389 PolarHBondContact OG1-O 2.86Å
381	F	97.9	Very high	96.9	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.131	C	C	.	.	S	Bend	trans	-88.9	-11.9	171.9	-56.8	-57.5	0	0	0	112.4	L223 V227 A238 K383 F385 A387 G389 G390 Y391 M415 I423 M427	L223-F381 HydrophobicContact CD1-CZ 4.41Å; V227-F381 HydrophobicContact CG2-CE1 3.99Å; V227-F381 HydrophobicContact CG2-CZ 3.83Å; A238-F381 HydrophobicContact CB-CE2 4.25Å; F381-K383 PolarHBondContact O-N 2.96Å; F381-F385 AromaticContact CD1-CD2 3.95Å; F381-F385 HydrophobicContact CD1-CD2 3.95Å; F381-F385 HydrophobicContact CD1-CE2 4.28Å; F381-F385 HydrophobicContact CD1-CG 4.36Å; F381-A387 HydrophobicContact CB-CB 4.16Å; F381-A387 PolarHBondContact O-N 3.48Å; F381-G389 PolarHBondContact N-O 3.28Å; F381-G390 WeakPolarHBondContact CE2-O 3.34Å; F381-Y391 HydrophobicContact CD1-CD1 4.23Å; F381-Y391 AromaticContact CE1-CD1 3.53Å; F381-Y391 HydrophobicContact CE1-CD1 3.53Å; F381-Y391 HydrophobicContact CE1-CE1 4.18Å; F381-Y391 HydrophobicContact CE1-CG 4.45Å; F381-Y391 HydrophobicContact CE2-CD1 4.25Å; F381-Y391 AromaticContact CZ-CD1 3.56Å; F381-Y391 HydrophobicContact CZ-CD1 3.56Å; F381-Y391 HydrophobicContact CZ-CG 4.1Å; F381-M415 HydrophobicContact CD2-CE 3.97Å; F381-M415 HydrophobicContact CE2-CE 4.08Å; F381-I423 HydrophobicContact CB-CD1 3.74Å; F381-I423 HydrophobicContact CB-CG1 3.88Å; F381-I423 HydrophobicContact CD1-CB 4.44Å; F381-I423 HydrophobicContact CD1-CD1 3.94Å; F381-I423 HydrophobicContact CD1-CG1 3.98Å; F381-I423 HydrophobicContact CD1-CG2 3.56Å; F381-I423 HydrophobicContact CD2-CD1 3.41Å; F381-I423 VanDerWaalsContact CD2-CD1 3.41Å; F381-I423 HydrophobicContact CD2-CG1 4.3Å; F381-I423 HydrophobicContact CE1-CD1 4.38Å; F381-I423 HydrophobicContact CE1-CG2 3.53Å; F381-I423 HydrophobicContact CE2-CD1 3.91Å; F381-I423 HydrophobicContact CG-CD1 3.43Å; F381-I423 VanDerWaalsContact CG-CD1 3.43Å; F381-I423 HydrophobicContact CG-CG1 3.81Å; F381-I423 HydrophobicContact CG-CG2 4.23Å; F381-I423 HydrophobicContact CZ-CD1 4.35Å; F381-I423 HydrophobicContact CZ-CG2 4.18Å; F381-M427 HydrophobicContact CE1-CE 4.33Å
382	T	96.4	Very high	97	Very high	67 Å²	67	22.1 Å²	22.1	41%	0.411	12%	0.121	S	C	.	.	S	Bend	trans	-72.6	10.6	-176.5	69	0	0	0	0	115.9	T380 A387	T380-T382 WeakPolarHBondContact CG2-OG1 3Å; T380-T382 PolarHBondContact OG1-N 2.77Å; T380-T382 PolarHBondContact OG1-OG1 3.03Å; T382-A387 WeakPolarHBondContact CA-O 3.29Å
383	K	96.8	Very high	97.2	Very high	21 Å²	21	13.2 Å²	13.2	9%	0.091	9%	0.087	C	C	.	.	S	Bend	trans	-131.9	-101.4	-173.4	-59.4	-167.5	-153.5	142.4	0	110.6	Y180 Y182 A350 H351 T380 F381 F385 G386	Y180-K383 HydrophobicContact CD2-CD 3.66Å; Y180-K383 HydrophobicContact CD2-CG 3.97Å; Y180-K383 HydrophobicContact CE2-CD 4.43Å; Y180-K383 HydrophobicContact CG-CD 3.78Å; Y180-K383 HydrophobicContact CG-CG 4.12Å; Y180-K383 CarbonylContact O-C 3.48Å; Y180-K383 WeakPolarHBondContact O-CA 3.24Å; Y180-K383 WeakPolarHBondContact O-CB 3.45Å; Y182-K383 HydrophobicContact CD2-CB 4.17Å; Y182-K383 HydrophobicContact CE2-CB 4.17Å; Y182-K383 HydrophobicContact CE2-CD 4.16Å; A350-K383 VanDerWaalsContact C-NZ 3.35Å; A350-K383 WeakPolarHBondContact O-CD 3.37Å; A350-K383 WeakPolarHBondContact O-CE 3.46Å; A350-K383 PolarHBondContact O-NZ 3.16Å; H351-K383 PolarHBondContact CD2-NZ 2.99Å; H351-K383 PolarHBondContact CE1-NZ 2.9Å; H351-K383 VanDerWaalsContact CE1-NZ 3.26Å; H351-K383 PolarHBondContact NE2-NZ 3.16Å; T380-K383 HydrophobicContact CG2-CB 4.22Å; T380-K383 HydrophobicContact CG2-CD 4.03Å; T380-K383 HydrophobicContact CG2-CG 3.74Å; F381-K383 PolarHBondContact O-N 2.96Å; K383-F385 VanDerWaalsContact C-N 3.27Å; K383-F385 PolarHBondContact O-N 2.95Å; K383-G386 PolarHBondContact O-N 3.08Å
384	S	97.1	Very high	97.3	Very high	1 Å²	1	12 Å²	12	1%	0.007	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-37.8	-175.3	-47.5	0	0	0	0	113.8	Y182 F185 I353	Y182-S384 WeakPolarHBondContact CD2-OG 3.46Å; F185-S384 WeakPolarHBondContact CD2-O 3.4Å; I353-S384 WeakPolarHBondContact O-CB 3.38Å; I353-S384 PolarHBondContact O-OG 3.42Å
385	F	97.1	Very high	97.3	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-6.8	-179.6	-52.7	-81.5	0	0	0	114.5	F230 I353 F381 K383 A387 Q422 M427 I430	F230-F385 HydrophobicContact CE1-CE1 4.39Å; F230-F385 AromaticContact CE1-CZ 3.94Å; F230-F385 HydrophobicContact CE1-CZ 3.94Å; I353-F385 HydrophobicContact CG1-CE2 3.97Å; I353-F385 HydrophobicContact CG1-CZ 3.93Å; I353-F385 HydrophobicContact CG2-CE2 3.91Å; F381-F385 AromaticContact CD1-CD2 3.95Å; F381-F385 HydrophobicContact CD1-CD2 3.95Å; F381-F385 HydrophobicContact CD1-CE2 4.28Å; F381-F385 HydrophobicContact CD1-CG 4.36Å; K383-F385 VanDerWaalsContact C-N 3.27Å; K383-F385 PolarHBondContact O-N 2.95Å; F385-A387 PolarHBondContact O-N 2.8Å; F385-Q422 PolarHBondContact O-NE2 2.7Å; F385-Q422 VanDerWaalsContact O-NE2 3.14Å; F385-M427 HydrophobicContact CD1-CB 4.4Å; F385-M427 HydrophobicContact CD1-CE 4.19Å; F385-M427 HydrophobicContact CE1-CB 4.13Å; F385-M427 HydrophobicContact CE1-CE 3.37Å; F385-M427 HydrophobicContact CE1-CG 4.35Å; F385-M427 HydrophobicContact CE2-CE 4.38Å; F385-M427 HydrophobicContact CZ-CE 3.48Å; F385-M427 VanDerWaalsContact CZ-CE 3.48Å; F385-I430 HydrophobicContact CD1-CD1 3.89Å; F385-I430 HydrophobicContact CE1-CD1 3.64Å
386	G	95.1	Very high	97.2	Very high	23 Å²	23	20 Å²	20	24%	0.237	11%	0.114	C	C	.	.	S	Bend	trans	65.6	16.6	178.2	0	0	0	0	0	116.2	K383	K383-G386 PolarHBondContact O-N 3.08Å
387	A	95.8	Very high	97.2	Very high	22 Å²	22	27 Å²	27	18%	0.182	15%	0.147	C	C	.	.	S	Bend	trans	-112.7	-149.2	-169.5	0	0	0	0	0	112.7	F381 T382 F385 V419 Q422 I423	F381-A387 HydrophobicContact CB-CB 4.16Å; F381-A387 PolarHBondContact O-N 3.48Å; T382-A387 WeakPolarHBondContact CA-O 3.29Å; F385-A387 PolarHBondContact O-N 2.8Å; A387-V419 HydrophobicContact CB-CG1 4.28Å; A387-Q422 HydrophobicContact CB-CB 4.25Å; A387-Q422 HydrophobicContact CB-CG 3.6Å; A387-I423 HydrophobicContact CB-CD1 4.13Å; A387-I423 HydrophobicContact CB-CG1 3.45Å; A387-I423 VanDerWaalsContact CB-CG1 3.45Å
388	A	95.4	Very high	97.2	Very high	42 Å²	42	28.5 Å²	28.5	35%	0.347	16%	0.155	S	C	.	.	S	Bend	trans	-136.4	157.7	175.2	0	0	0	0	0	112.5	V419	A388-V419 HydrophobicContact CB-CG1 3.92Å; A388-V419 WeakPolarHBondContact O-CG1 3.26Å
389	G	95.5	Very high	97.2	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.01	15%	0.154	C	C	.	.			trans	90.5	-164.3	-177.1	0	0	0	0	0	114.6	F239 G240 T380 F381	F239-G389 CarbonylContact O-C 3.53Å; F239-G389 WeakPolarHBondContact O-CA 3.47Å; G240-G389 WeakPolarHBondContact O-CA 3.47Å; T380-G389 PolarHBondContact OG1-O 2.86Å; F381-G389 PolarHBondContact N-O 3.28Å
390	G	97	Very high	97.1	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.1	-175.5	176.3	0	0	0	0	0	111.7	A238 F239 G379 F381	A238-G390 CarbonylContact C-O 3.5Å; A238-G390 WeakPolarHBondContact CA-O 3.4Å; F239-G390 PolarHBondContact N-O 3.47Å; F239-G390 PolarHBondContact O-N 2.84Å; G379-G390 CarbonylContact O-C 3.49Å; G379-G390 WeakPolarHBondContact O-CA 3.47Å; F381-G390 WeakPolarHBondContact CE2-O 3.34Å
391	Y	97.9	Very high	97	Very high	1 Å²	1	35.6 Å²	35.6	0%	0.004	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	163.3	-174	63.9	-93.4	0	0	0	113.1	V227 L231 M237 T245 I353 M378 G379 F381	V227-Y391 HydrophobicContact CG1-CD1 4.36Å; V227-Y391 HydrophobicContact CG1-CD2 4.01Å; V227-Y391 HydrophobicContact CG1-CG 3.88Å; L231-Y391 HydrophobicContact CD1-CD2 3.82Å; L231-Y391 HydrophobicContact CD1-CE2 3.53Å; L231-Y391 HydrophobicContact CD2-CE2 3.87Å; L231-Y391 HydrophobicContact CG-CE2 4.26Å; M237-Y391 CarbonylContact O-C 3.55Å; M237-Y391 WeakPolarHBondContact O-CA 3.38Å; M237-Y391 WeakPolarHBondContact O-CB 3.1Å; T245-Y391 WeakPolarHBondContact CG2-O 3.44Å; I353-Y391 WeakPolarHBondContact CD1-OH 3.36Å; I353-Y391 HydrophobicContact CG1-CE1 4.49Å; I353-Y391 VanDerWaalsContact CG1-OH 3.27Å; I353-Y391 WeakPolarHBondContact CG1-OH 3.39Å; M378-Y391 WeakPolarHBondContact CA-O 3.47Å; G379-Y391 VanDerWaalsContact CA-CZ 3.44Å; G379-Y391 PolarHBondContact N-O 3.24Å; G379-Y391 VanDerWaalsContact N-O 3.12Å; G379-Y391 PolarHBondContact O-N 3.09Å; F381-Y391 HydrophobicContact CD1-CD1 4.23Å; F381-Y391 AromaticContact CE1-CD1 3.53Å; F381-Y391 HydrophobicContact CE1-CD1 3.53Å; F381-Y391 HydrophobicContact CE1-CE1 4.18Å; F381-Y391 HydrophobicContact CE1-CG 4.45Å; F381-Y391 HydrophobicContact CE2-CD1 4.25Å; F381-Y391 AromaticContact CZ-CD1 3.56Å; F381-Y391 HydrophobicContact CZ-CD1 3.56Å; F381-Y391 HydrophobicContact CZ-CG 4.1Å
392	I	98.4	Very high	96.9	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	126.9	158	-65.4	178.3	0	0	0	108.4	S236 M237 F239 T245 N249 I376 M377 M378 I399 L402	S236-I392 CarbonylContact C-O 3.58Å; S236-I392 VanDerWaalsContact CA-O 3.26Å; S236-I392 WeakPolarHBondContact CA-O 3.35Å; M237-I392 PolarHBondContact N-O 3.39Å; M237-I392 PolarHBondContact O-N 2.87Å; F239-I392 HydrophobicContact CE2-CB 4.09Å; F239-I392 HydrophobicContact CE2-CD1 4.18Å; F239-I392 HydrophobicContact CE2-CG1 3.94Å; F239-I392 HydrophobicContact CZ-CD1 4.48Å; T245-I392 HydrophobicContact CG2-CD1 4.33Å; T245-I392 HydrophobicContact CG2-CG1 3.83Å; N249-I392 HydrophobicContact CB-CD1 3.51Å; N249-I392 WeakPolarHBondContact ND2-CD1 3.44Å; I376-I392 HydrophobicContact CG2-CG2 3.74Å; M377-I392 CarbonylContact O-C 3.25Å; M377-I392 VanDerWaalsContact O-CA 3.3Å; M377-I392 WeakPolarHBondContact O-CA 3.38Å; M378-I392 HydrophobicContact CB-CG1 4.39Å; M378-I392 HydrophobicContact CG-CG1 4.39Å; I392-I399 HydrophobicContact CG2-CD1 4.06Å; I392-I399 VanDerWaalsContact O-CD1 3.3Å; I392-I399 WeakPolarHBondContact O-CD1 3.37Å; I392-L402 HydrophobicContact CB-CD1 4.42Å; I392-L402 HydrophobicContact CD1-CD1 4.12Å; I392-L402 HydrophobicContact CG2-CD1 3.91Å
393	G	98.3	Very high	96.7	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	155.2	171.4	0	0	0	0	0	111.9	S235 M377	S235-G393 WeakPolarHBondContact O-CA 3.37Å; M377-G393 PolarHBondContact N-O 2.91Å; M377-G393 PolarHBondContact O-N 3.01Å
394	G	98.1	Very high	96.5	Very high	6 Å²	6	38 Å²	38	6%	0.062	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165.7	-144.3	177.6	0	0	0	0	0	112.2	E234 S235	E234-G394 PolarHBondContact N-O 3.37Å; E234-G394 VanDerWaalsContact N-O 3.17Å; S235-G394 PolarHBondContact N-O 3.32Å; S235-G394 VanDerWaalsContact N-O 3.15Å; S235-G394 PolarHBondContact O-N 3.08Å
395	K	98.2	Very high	96.3	Very high	117 Å²	117	42.6 Å²	42.6	51%	0.509	22%	0.219	S	C	.	.			trans	-68.2	148.1	175.4	-69.9	-161	165.7	-158.7	0	112.8	E234 E397 L398 I399	E234-K395 WeakPolarHBondContact OE2-CA 3.16Å; E234-K395 WeakPolarHBondContact OE2-CB 3.28Å; K395-E397 PolarHBondContact O-N 3.43Å; K395-L398 HydrophobicContact CB-CB 4.26Å; K395-L398 WeakPolarHBondContact O-CB 3.15Å; K395-L398 PolarHBondContact O-N 3.12Å; K395-L398 VanDerWaalsContact O-N 3.12Å; K395-I399 WeakPolarHBondContact O-CG1 3.45Å; K395-I399 PolarHBondContact O-N 2.8Å; K395-I399 VanDerWaalsContact O-N 3.12Å
396	K	97.9	Very high	96	Very high	99 Å²	99	42.6 Å²	42.6	43%	0.43	22%	0.219	S	C	.	.	H	α-helix	trans	-59.9	-44.5	178.5	176.8	156.5	175.1	51.2	0	112.4	E234 L398 I399 D400	E234-K396 HydrophobicContact CB-CB 4.26Å; E234-K396 PolarHBondContact OE2-N 2.98Å; K396-L398 PolarHBondContact O-N 3.1Å; K396-I399 PolarHBondContact O-N 2.81Å; K396-I399 VanDerWaalsContact O-N 3.09Å; K396-D400 WeakPolarHBondContact CE-OD2 3.47Å; K396-D400 WeakPolarHBondContact CG-OD2 3.44Å; K396-D400 IonicContact NZ-OD1 3.52Å; K396-D400 PolarHBondContact NZ-OD1 2.85Å; K396-D400 IonicContact NZ-OD2 3.34Å; K396-D400 PolarHBondContact NZ-OD2 2.92Å; K396-D400 PolarHBondContact O-N 3.07Å
397	E	97.7	Very high	95.6	Very high	156 Å²	156	46.3 Å²	46.3	73%	0.729	23%	0.23	S	C	*	.	H	α-helix	trans	-55	-37.3	175.8	-59.7	175.9	159.1	0	0	113.1	K395 Y401	K395-E397 PolarHBondContact O-N 3.43Å; E397-Y401 VanDerWaalsContact O-CB 3.3Å; E397-Y401 WeakPolarHBondContact O-CB 3.49Å; E397-Y401 PolarHBondContact O-N 3.32Å; E397-Y401 VanDerWaalsContact O-N 3.15Å
398	L	97.3	Very high	95.3	Very high	35 Å²	35	45.9 Å²	45.9	18%	0.183	23%	0.226	C	C	.	.	H	α-helix	trans	-71.1	-41.5	178.4	167.2	70.8	0	0	0	111.3	L253 D375 I376 K395 K396 L402	L253-L398 HydrophobicContact CD2-CD1 3.42Å; L253-L398 VanDerWaalsContact CD2-CD1 3.42Å; D375-L398 WeakPolarHBondContact O-CD2 3.33Å; I376-L398 HydrophobicContact CG1-CD1 4.37Å; I376-L398 HydrophobicContact CG1-CD2 3.7Å; K395-L398 HydrophobicContact CB-CB 4.26Å; K395-L398 WeakPolarHBondContact O-CB 3.15Å; K395-L398 PolarHBondContact O-N 3.12Å; K395-L398 VanDerWaalsContact O-N 3.12Å; K396-L398 PolarHBondContact O-N 3.1Å; L398-L402 HydrophobicContact CD1-CD1 4.33Å; L398-L402 HydrophobicContact CG-CD1 4.4Å; L398-L402 WeakPolarHBondContact O-CG 3.21Å; L398-L402 PolarHBondContact O-N 2.71Å
399	I	97.6	Very high	94.8	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-71.7	-43.4	180	-61.9	-53.7	0	0	0	111.2	S236 M237 I392 K395 K396 Y401 L402 R403	S236-I399 WeakPolarHBondContact O-CG2 3.21Å; M237-I399 HydrophobicContact CB-CG2 4.06Å; I392-I399 HydrophobicContact CG2-CD1 4.06Å; I392-I399 VanDerWaalsContact O-CD1 3.3Å; I392-I399 WeakPolarHBondContact O-CD1 3.37Å; K395-I399 WeakPolarHBondContact O-CG1 3.45Å; K395-I399 PolarHBondContact O-N 2.8Å; K395-I399 VanDerWaalsContact O-N 3.12Å; K396-I399 PolarHBondContact O-N 2.81Å; K396-I399 VanDerWaalsContact O-N 3.09Å; I399-Y401 VanDerWaalsContact C-N 3.27Å; I399-Y401 PolarHBondContact O-N 2.95Å; I399-L402 HydrophobicContact CD1-CD1 4.48Å; I399-L402 PolarHBondContact O-N 3.48Å; I399-L402 VanDerWaalsContact O-N 3.11Å; I399-R403 HydrophobicContact CG2-CG 4.41Å; I399-R403 WeakPolarHBondContact O-CB 3.45Å; I399-R403 WeakPolarHBondContact O-CG 3.2Å; I399-R403 PolarHBondContact O-N 3.08Å
400	D	96	Very high	94.5	Very high	61 Å²	61	46.1 Å²	46.1	33%	0.326	22%	0.223	S	C	.	.	H	α-helix	trans	-63.2	-34.9	175.6	-66	-28.2	0	0	0	111.6	K396 S404	K396-D400 WeakPolarHBondContact CE-OD2 3.47Å; K396-D400 WeakPolarHBondContact CG-OD2 3.44Å; K396-D400 IonicContact NZ-OD1 3.52Å; K396-D400 PolarHBondContact NZ-OD1 2.85Å; K396-D400 IonicContact NZ-OD2 3.34Å; K396-D400 PolarHBondContact NZ-OD2 2.92Å; K396-D400 PolarHBondContact O-N 3.07Å; D400-S404 PolarHBondContact O-N 2.91Å; D400-S404 PolarHBondContact O-OG 3Å
401	Y	96.1	Very high	94.2	Very high	95 Å²	95	54.6 Å²	54.6	37%	0.373	26%	0.256	S	S	.	.	H	α-helix	trans	-64.5	-46.1	170	-178.8	-97.4	0	0	0	112.2	E397 I399 S404 H405	E397-Y401 VanDerWaalsContact O-CB 3.3Å; E397-Y401 WeakPolarHBondContact O-CB 3.49Å; E397-Y401 PolarHBondContact O-N 3.32Å; E397-Y401 VanDerWaalsContact O-N 3.15Å; I399-Y401 VanDerWaalsContact C-N 3.27Å; I399-Y401 PolarHBondContact O-N 2.95Å; Y401-S404 PolarHBondContact O-N 3.14Å; Y401-S404 PolarHBondContact O-OG 3.15Å; Y401-H405 HydrophobicContact CD1-CB 4.44Å; Y401-H405 AromaticContact CD2-CE1 3.69Å; Y401-H405 AromaticContact CD2-CG 4Å; Y401-H405 AromaticContact CD2-ND1 3.54Å; Y401-H405 HydrophobicContact CE1-CB 3.98Å; Y401-H405 HydrophobicContact CE2-CB 4.25Å; Y401-H405 AromaticContact CE2-CD2 3.52Å; Y401-H405 AromaticContact CE2-CE1 3.44Å; Y401-H405 VanDerWaalsContact CE2-CE1 3.44Å; Y401-H405 WeakPolarHBondContact CE2-CE1 3.06Å; Y401-H405 AromaticContact CE2-CG 3.49Å; Y401-H405 VanDerWaalsContact CE2-CG 3.49Å; Y401-H405 AromaticContact CE2-ND1 3.44Å; Y401-H405 WeakPolarHBondContact CE2-ND1 3.19Å; Y401-H405 AromaticContact CE2-NE2 3.47Å; Y401-H405 WeakPolarHBondContact CE2-NE2 3.16Å; Y401-H405 AromaticContact CZ-CD2 3.62Å; Y401-H405 AromaticContact CZ-CG 3.55Å; Y401-H405 AromaticContact CZ-ND1 3.97Å; Y401-H405 WeakPolarHBondContact O-CB 3.38Å; Y401-H405 PolarHBondContact O-N 3.33Å; Y401-H405 PolarHBondContact O-ND1 3.2Å; Y401-H405 VanDerWaalsContact O-ND1 3.13Å; Y401-H405 PolarHBondContact OH-CD2 2.82Å
402	L	95.6	Very high	93.8	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-65.8	-40.4	178.2	-75.7	173.3	0	0	0	112.8	N249 A252 L253 I392 L398 I399 S404 H405 S406	N249-L402 HydrophobicContact CB-CD2 4.29Å; A252-L402 HydrophobicContact CB-CD2 4.12Å; L253-L402 HydrophobicContact CD2-CD1 4.35Å; L253-L402 HydrophobicContact CD2-CD2 3.94Å; L253-L402 HydrophobicContact CD2-CG 4.29Å; L253-L402 HydrophobicContact CG-CD2 4.13Å; I392-L402 HydrophobicContact CB-CD1 4.42Å; I392-L402 HydrophobicContact CD1-CD1 4.12Å; I392-L402 HydrophobicContact CG2-CD1 3.91Å; L398-L402 HydrophobicContact CD1-CD1 4.33Å; L398-L402 HydrophobicContact CG-CD1 4.4Å; L398-L402 WeakPolarHBondContact O-CG 3.21Å; L398-L402 PolarHBondContact O-N 2.71Å; I399-L402 HydrophobicContact CD1-CD1 4.48Å; I399-L402 PolarHBondContact O-N 3.48Å; I399-L402 VanDerWaalsContact O-N 3.11Å; L402-S404 PolarHBondContact O-N 3.38Å; L402-S404 VanDerWaalsContact O-N 3.13Å; L402-H405 PolarHBondContact O-N 3.32Å; L402-S406 WeakPolarHBondContact O-CB 3.35Å; L402-S406 PolarHBondContact O-N 3.36Å
403	R	92.7	Very high	93.4	Very high	68 Å²	68	60.7 Å²	60.7	26%	0.257	30%	0.297	S	S	.	.	H	α-helix	trans	-53.4	-31.3	174.6	-79.9	178.6	168.1	-155	-2.5	112.1	E221 E224 M237 I399	E221-R403 IonicContact OE1-NH2 2.81Å; E221-R403 IonicContact OE2-CZ 2.69Å; E221-R403 IonicContact OE2-NH1 3.57Å; E221-R403 PolarHBondContact OE2-NH1 2.87Å; E221-R403 IonicContact OE2-NH2 2.74Å; E221-R403 PolarHBondContact OE2-NH2 3.41Å; E224-R403 IonicContact OE2-CZ 2.67Å; E224-R403 IonicContact OE2-NE 3.39Å; E224-R403 IonicContact OE2-NH2 2.71Å; E224-R403 PolarHBondContact OE2-NH2 3.48Å; M237-R403 HydrophobicContact CE-CG 4.06Å; M237-R403 HydrophobicContact CG-CG 4.49Å; M237-R403 HydrophobicContact SD-CB 4.29Å; M237-R403 HydrophobicContact SD-CG 3.59Å; M237-R403 VanDerWaalsContact SD-CG 3.59Å; I399-R403 HydrophobicContact CG2-CG 4.41Å; I399-R403 WeakPolarHBondContact O-CB 3.45Å; I399-R403 WeakPolarHBondContact O-CG 3.2Å; I399-R403 PolarHBondContact O-N 3.08Å
404	S	91.9	Very high	93.1	Very high	71 Å²	71	61.2 Å²	61.2	50%	0.497	30%	0.301	S	S	.	.	H	α-helix	trans	-102	-24.2	-177.8	50.4	0	0	0	0	115.5	D400 Y401 L402	D400-S404 PolarHBondContact O-N 2.91Å; D400-S404 PolarHBondContact O-OG 3Å; Y401-S404 PolarHBondContact O-N 3.14Å; Y401-S404 PolarHBondContact O-OG 3.15Å; L402-S404 PolarHBondContact O-N 3.38Å; L402-S404 VanDerWaalsContact O-N 3.13Å
405	H	92.7	Very high	92.9	Very high	97 Å²	97	61.6 Å²	61.6	45%	0.449	30%	0.301	S	S	.	.	H	α-helix	trans	-114.8	-8.8	-173.4	-66.5	71.6	0	0	0	114.7	A252 Y401 L402	A252-H405 HydrophobicContact CB-CB 4.45Å; Y401-H405 HydrophobicContact CD1-CB 4.44Å; Y401-H405 AromaticContact CD2-CE1 3.69Å; Y401-H405 AromaticContact CD2-CG 4Å; Y401-H405 AromaticContact CD2-ND1 3.54Å; Y401-H405 HydrophobicContact CE1-CB 3.98Å; Y401-H405 HydrophobicContact CE2-CB 4.25Å; Y401-H405 AromaticContact CE2-CD2 3.52Å; Y401-H405 AromaticContact CE2-CE1 3.44Å; Y401-H405 VanDerWaalsContact CE2-CE1 3.44Å; Y401-H405 WeakPolarHBondContact CE2-CE1 3.06Å; Y401-H405 AromaticContact CE2-CG 3.49Å; Y401-H405 VanDerWaalsContact CE2-CG 3.49Å; Y401-H405 AromaticContact CE2-ND1 3.44Å; Y401-H405 WeakPolarHBondContact CE2-ND1 3.19Å; Y401-H405 AromaticContact CE2-NE2 3.47Å; Y401-H405 WeakPolarHBondContact CE2-NE2 3.16Å; Y401-H405 AromaticContact CZ-CD2 3.62Å; Y401-H405 AromaticContact CZ-CG 3.55Å; Y401-H405 AromaticContact CZ-ND1 3.97Å; Y401-H405 WeakPolarHBondContact O-CB 3.38Å; Y401-H405 PolarHBondContact O-N 3.33Å; Y401-H405 PolarHBondContact O-ND1 3.2Å; Y401-H405 VanDerWaalsContact O-ND1 3.13Å; Y401-H405 PolarHBondContact OH-CD2 2.82Å; L402-H405 PolarHBondContact O-N 3.32Å
406	S	90.4	Very high	92.8	Very high	1 Å²	1	57.3 Å²	57.3	1%	0.007	29%	0.288	C	S	.	.			trans	-81.8	129.8	179.1	179.6	0	0	0	0	112.1	N249 L402 S408 A409 V410	N249-S406 WeakPolarHBondContact OD1-CB 3.19Å; N249-S406 PolarHBondContact OD1-OG 3.47Å; L402-S406 WeakPolarHBondContact O-CB 3.35Å; L402-S406 PolarHBondContact O-N 3.36Å; S406-S408 PolarHBondContact O-N 2.84Å; S406-S408 PolarHBondContact OG-N 3.48Å; S406-S408 PolarHBondContact OG-OG 2.94Å; S406-A409 WeakPolarHBondContact O-CB 3.38Å; S406-A409 PolarHBondContact O-N 3.47Å; S406-V410 WeakPolarHBondContact O-CG2 3.49Å; S406-V410 PolarHBondContact O-N 2.96Å
407	H	87.9	Confident	92.8	Very high	100 Å²	100	52.6 Å²	52.6	46%	0.463	27%	0.267	S	S	.	.	H	α-helix	trans	-60.3	-30.6	172.4	-66.2	80.1	0	0	0	112	M248 Y411	M248-H407 HydrophobicContact CE-CB 3.72Å; H407-Y411 HydrophobicContact CB-CD2 4.26Å; H407-Y411 AromaticContact CD2-CE2 3.97Å; H407-Y411 WeakPolarHBondContact O-CB 3.32Å; H407-Y411 PolarHBondContact O-N 3.25Å
408	S	87.7	Confident	92.7	Very high	14 Å²	14	46.3 Å²	46.3	10%	0.098	24%	0.24	C	C	.	.	H	α-helix	trans	-85.9	-4	175.2	54.1	0	0	0	0	114.2	F239 S406 A412	F239-S408 WeakPolarHBondContact CD1-OG 3.1Å; S406-S408 PolarHBondContact O-N 2.84Å; S406-S408 PolarHBondContact OG-N 3.48Å; S406-S408 PolarHBondContact OG-OG 2.94Å; S408-A412 WeakPolarHBondContact O-CB 3.08Å
409	A	86.4	Confident	92.7	Very high	3 Å²	3	46.4 Å²	46.4	3%	0.025	24%	0.242	C	C	.	.	H	α-helix	trans	-90	-45.1	164.7	0	0	0	0	0	111.3	M237 S406	M237-A409 HydrophobicContact CE-CB 3.47Å; M237-A409 VanDerWaalsContact CE-CB 3.47Å; M237-A409 HydrophobicContact SD-CB 4.02Å; S406-A409 WeakPolarHBondContact O-CB 3.38Å; S406-A409 PolarHBondContact O-N 3.47Å
410	V	89.1	Confident	92.7	Very high	44 Å²	44	46.4 Å²	46.4	27%	0.267	24%	0.242	S	C	.	.	H	α-helix	trans	-83.9	-30.9	-169.9	178.7	0	0	0	0	113.3	T210 S406	T210-V410 WeakPolarHBondContact CG2-O 3.3Å; S406-V410 WeakPolarHBondContact O-CG2 3.49Å; S406-V410 PolarHBondContact O-N 2.96Å
411	Y	89.4	Confident	92.8	Very high	179 Å²	179	44.9 Å²	44.9	70%	0.702	23%	0.233	S	C	*	.	S	Bend	trans	-120.5	-2.9	-173.1	-55	-64.6	0	0	0	115.2	H407	H407-Y411 HydrophobicContact CB-CD2 4.26Å; H407-Y411 AromaticContact CD2-CE2 3.97Å; H407-Y411 WeakPolarHBondContact O-CB 3.32Å; H407-Y411 PolarHBondContact O-N 3.25Å
412	A	89.9	Confident	92.9	Very high	36 Å²	36	41.4 Å²	41.4	30%	0.298	22%	0.22	S	C	.	.	S	Bend	trans	-92.1	144.5	174.4	0	0	0	0	0	110.6	T210 S408	T210-A412 WeakPolarHBondContact CA-O 3.29Å; T210-A412 WeakPolarHBondContact CB-O 3.38Å; T210-A412 WeakPolarHBondContact CG2-O 3.47Å; S408-A412 WeakPolarHBondContact O-CB 3.08Å
413	T	91.3	Very high	93	Very high	92 Å²	92	41.4 Å²	41.4	56%	0.564	22%	0.22	S	C	*	.	B	Isolated β-bridge	trans	-57.5	152.3	167.6	53.5	0	0	0	0	110.6
414	S	91.8	Very high	93.3	Very high	11 Å²	11	38.2 Å²	38.2	8%	0.077	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-52.3	166.4	168.1	77.7	0	0	0	0	112.2	S209 G215	S209-S414 PolarHBondContact O-N 2.81Å; G215-S414 WeakPolarHBondContact O-CB 3.4Å
415	M	93.9	Very high	93.6	Very high	14 Å²	14	35.6 Å²	35.6	7%	0.069	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-64.1	158.6	164.7	-165.1	165.6	-76.4	0	0	109.5	H220 L223 A238 F381 V419 A420 I423	H220-M415 PolarHBondContact NE2-O 2.84Å; H220-M415 VanDerWaalsContact NE2-O 3.1Å; L223-M415 HydrophobicContact CD2-CE 4.36Å; L223-M415 HydrophobicContact CD2-SD 3.67Å; A238-M415 HydrophobicContact CB-CE 4.32Å; F381-M415 HydrophobicContact CD2-CE 3.97Å; F381-M415 HydrophobicContact CE2-CE 4.08Å; M415-V419 HydrophobicContact CG-CB 4.06Å; M415-V419 HydrophobicContact CG-CG1 3.98Å; M415-V419 HydrophobicContact SD-CB 4.45Å; M415-V419 HydrophobicContact SD-CG1 3.93Å; M415-A420 HydrophobicContact SD-CB 4.23Å; M415-I423 HydrophobicContact CE-CD1 4.08Å; M415-I423 HydrophobicContact SD-CD1 3.56Å; M415-I423 VanDerWaalsContact SD-CD1 3.56Å
416	A	95.8	Very high	93.9	Very high	28 Å²	28	31 Å²	31	23%	0.231	17%	0.168	C	C	.	.	P	Polyproline II helix	trans	-76.1	130.9	168.1	0	0	0	0	0	108.9	A205 P418 V419 A420	A205-A416 VanDerWaalsContact O-CB 3.26Å; A205-A416 WeakPolarHBondContact O-CB 3.45Å; A416-P418 HydrophobicContact CB-CG 4.42Å; A416-V419 HydrophobicContact CB-CB 4.2Å; A416-V419 HydrophobicContact CB-CG2 3.89Å; A416-V419 WeakPolarHBondContact O-CA 3.26Å; A416-V419 WeakPolarHBondContact O-CB 3.44Å; A416-V419 PolarHBondContact O-N 3.22Å; A416-A420 PolarHBondContact O-N 3.05Å
417	P	96.8	Very high	94.2	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-47.2	-47.4	177	-29.4	35.8	0	0	0	114.9	V199 Y203 L217 I219 V419 A420 Q421	V199-P417 VanDerWaalsContact CG1-C 3.42Å; V199-P417 HydrophobicContact CG1-CB 3.63Å; V199-P417 WeakPolarHBondContact CG1-O 3.28Å; Y203-P417 HydrophobicContact CD2-CB 4.3Å; Y203-P417 HydrophobicContact CG-CB 4.14Å; Y203-P417 HydrophobicContact CG-CG 4.38Å; L217-P417 HydrophobicContact CD1-CG 3.86Å; I219-P417 HydrophobicContact CG2-CB 4.37Å; P417-V419 VanDerWaalsContact C-N 3.27Å; P417-V419 PolarHBondContact O-N 3.18Å; P417-A420 WeakPolarHBondContact O-CB 3.43Å; P417-A420 PolarHBondContact O-N 2.69Å; P417-A420 VanDerWaalsContact O-N 3.15Å; P417-Q421 PolarHBondContact O-N 2.98Å
418	P	97.1	Very high	94.7	Very high	23 Å²	23	28.8 Å²	28.8	15%	0.149	16%	0.157	C	C	.	.	H	α-helix	trans	-64.6	-27.4	176.4	22.9	-34.3	0	0	0	114.5	A196 T200 A416 Q421 Q422	A196-P418 HydrophobicContact CB-CB 4.14Å; T200-P418 VanDerWaalsContact OG1-CB 3.31Å; T200-P418 WeakPolarHBondContact OG1-CB 3.31Å; A416-P418 HydrophobicContact CB-CG 4.42Å; P418-Q421 PolarHBondContact O-N 3.09Å; P418-Q422 PolarHBondContact O-N 3.32Å
419	V	97	Very high	95.2	Very high	38 Å²	38	28.3 Å²	28.3	23%	0.23	15%	0.153	C	C	.	.	H	α-helix	trans	-73.1	-40	173.8	177.4	0	0	0	0	110.4	A387 A388 M415 A416 P417 Q421 Q422 I423	A387-V419 HydrophobicContact CB-CG1 4.28Å; A388-V419 HydrophobicContact CB-CG1 3.92Å; A388-V419 WeakPolarHBondContact O-CG1 3.26Å; M415-V419 HydrophobicContact CG-CB 4.06Å; M415-V419 HydrophobicContact CG-CG1 3.98Å; M415-V419 HydrophobicContact SD-CB 4.45Å; M415-V419 HydrophobicContact SD-CG1 3.93Å; A416-V419 HydrophobicContact CB-CB 4.2Å; A416-V419 HydrophobicContact CB-CG2 3.89Å; A416-V419 WeakPolarHBondContact O-CA 3.26Å; A416-V419 WeakPolarHBondContact O-CB 3.44Å; A416-V419 PolarHBondContact O-N 3.22Å; P417-V419 VanDerWaalsContact C-N 3.27Å; P417-V419 PolarHBondContact O-N 3.18Å; V419-Q421 VanDerWaalsContact C-N 3.31Å; V419-Q421 PolarHBondContact O-N 2.86Å; V419-Q422 PolarHBondContact O-N 2.89Å; V419-I423 HydrophobicContact CG1-CD1 4.29Å; V419-I423 WeakPolarHBondContact O-CD1 3.11Å; V419-I423 VanDerWaalsContact O-CG1 3.3Å; V419-I423 WeakPolarHBondContact O-CG1 3.48Å; V419-I423 PolarHBondContact O-N 3.25Å
420	A	97.6	Very high	95.8	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-59.8	-42.8	171.2	0	0	0	0	0	110.9	I219 L223 M415 A416 P417 I423 I424	I219-A420 HydrophobicContact CD1-CB 4.24Å; I219-A420 HydrophobicContact CG1-CB 4.07Å; L223-A420 HydrophobicContact CD2-CB 4Å; M415-A420 HydrophobicContact SD-CB 4.23Å; A416-A420 PolarHBondContact O-N 3.05Å; P417-A420 WeakPolarHBondContact O-CB 3.43Å; P417-A420 PolarHBondContact O-N 2.69Å; P417-A420 VanDerWaalsContact O-N 3.15Å; A420-I423 PolarHBondContact O-N 3.19Å; A420-I424 WeakPolarHBondContact O-CG1 3.41Å; A420-I424 PolarHBondContact O-N 3.38Å
421	Q	98.1	Very high	96.2	Very high	28 Å²	28	28.9 Å²	28.9	13%	0.131	15%	0.153	C	C	.	.	H	α-helix	trans	-65.3	-43	177.6	-168.9	57	55	0	0	113.5	A195 V199 I219 P417 P418 V419 I423 I424 T425	A195-Q421 HydrophobicContact CB-CG 3.67Å; V199-Q421 HydrophobicContact CB-CB 4Å; V199-Q421 HydrophobicContact CB-CG 4.19Å; V199-Q421 HydrophobicContact CG1-CB 4.08Å; V199-Q421 HydrophobicContact CG2-CB 3.88Å; V199-Q421 HydrophobicContact CG2-CG 3.67Å; I219-Q421 HydrophobicContact CD1-CB 4.12Å; P417-Q421 PolarHBondContact O-N 2.98Å; P418-Q421 PolarHBondContact O-N 3.09Å; V419-Q421 VanDerWaalsContact C-N 3.31Å; V419-Q421 PolarHBondContact O-N 2.86Å; Q421-I423 PolarHBondContact O-N 2.93Å; Q421-I424 PolarHBondContact O-N 3.28Å; Q421-I424 VanDerWaalsContact O-N 3.17Å; Q421-T425 PolarHBondContact NE2-OG1 3.46Å; Q421-T425 PolarHBondContact O-N 3.33Å; Q421-T425 PolarHBondContact O-OG1 3.48Å
422	Q	97.8	Very high	96.5	Very high	23 Å²	23	21.8 Å²	21.8	11%	0.107	13%	0.134	C	C	.	.	H	α-helix	trans	-54	-40.2	173.1	171.1	73	32.3	0	0	111.2	F185 F385 A387 P418 V419 S426	F185-Q422 PolarHBondContact O-NE2 3.46Å; F385-Q422 PolarHBondContact O-NE2 2.7Å; F385-Q422 VanDerWaalsContact O-NE2 3.14Å; A387-Q422 HydrophobicContact CB-CB 4.25Å; A387-Q422 HydrophobicContact CB-CG 3.6Å; P418-Q422 PolarHBondContact O-N 3.32Å; V419-Q422 PolarHBondContact O-N 2.89Å; Q422-S426 WeakPolarHBondContact O-CB 3.33Å; Q422-S426 PolarHBondContact O-N 3.3Å; Q422-S426 VanDerWaalsContact O-N 3.14Å; Q422-S426 PolarHBondContact O-OG 3.06Å
423	I	98.1	Very high	96.9	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-71.6	-46.5	176.7	-59.1	156.9	0	0	0	110.9	L223 F381 A387 M415 V419 A420 Q421 T425 S426 M427	L223-I423 HydrophobicContact CD1-CB 3.82Å; L223-I423 HydrophobicContact CD1-CD1 4.31Å; L223-I423 HydrophobicContact CD1-CG2 3.47Å; L223-I423 VanDerWaalsContact CD1-CG2 3.47Å; L223-I423 HydrophobicContact CD2-CD1 4.38Å; F381-I423 HydrophobicContact CB-CD1 3.74Å; F381-I423 HydrophobicContact CB-CG1 3.88Å; F381-I423 HydrophobicContact CD1-CB 4.44Å; F381-I423 HydrophobicContact CD1-CD1 3.94Å; F381-I423 HydrophobicContact CD1-CG1 3.98Å; F381-I423 HydrophobicContact CD1-CG2 3.56Å; F381-I423 HydrophobicContact CD2-CD1 3.41Å; F381-I423 VanDerWaalsContact CD2-CD1 3.41Å; F381-I423 HydrophobicContact CD2-CG1 4.3Å; F381-I423 HydrophobicContact CE1-CD1 4.38Å; F381-I423 HydrophobicContact CE1-CG2 3.53Å; F381-I423 HydrophobicContact CE2-CD1 3.91Å; F381-I423 HydrophobicContact CG-CD1 3.43Å; F381-I423 VanDerWaalsContact CG-CD1 3.43Å; F381-I423 HydrophobicContact CG-CG1 3.81Å; F381-I423 HydrophobicContact CG-CG2 4.23Å; F381-I423 HydrophobicContact CZ-CD1 4.35Å; F381-I423 HydrophobicContact CZ-CG2 4.18Å; A387-I423 HydrophobicContact CB-CD1 4.13Å; A387-I423 HydrophobicContact CB-CG1 3.45Å; A387-I423 VanDerWaalsContact CB-CG1 3.45Å; M415-I423 HydrophobicContact CE-CD1 4.08Å; M415-I423 HydrophobicContact SD-CD1 3.56Å; M415-I423 VanDerWaalsContact SD-CD1 3.56Å; V419-I423 HydrophobicContact CG1-CD1 4.29Å; V419-I423 WeakPolarHBondContact O-CD1 3.11Å; V419-I423 VanDerWaalsContact O-CG1 3.3Å; V419-I423 WeakPolarHBondContact O-CG1 3.48Å; V419-I423 PolarHBondContact O-N 3.25Å; A420-I423 PolarHBondContact O-N 3.19Å; Q421-I423 PolarHBondContact O-N 2.93Å; I423-T425 PolarHBondContact O-N 3.33Å; I423-S426 PolarHBondContact O-N 3.29Å; I423-S426 PolarHBondContact O-OG 3.04Å; I423-M427 HydrophobicContact CG2-CE 4.37Å; I423-M427 WeakPolarHBondContact O-CB 3.47Å; I423-M427 PolarHBondContact O-N 2.86Å
424	I	98.6	Very high	97	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-58	-49.5	179.7	-72.8	164	0	0	0	110.6	I219 E222 L223 L226 A420 Q421 K428	I219-I424 HydrophobicContact CD1-CD1 4.39Å; I219-I424 HydrophobicContact CG1-CD1 3.65Å; E222-I424 HydrophobicContact CB-CD1 4.31Å; E222-I424 HydrophobicContact CG-CD1 4.17Å; L223-I424 HydrophobicContact CB-CD1 4.16Å; L223-I424 HydrophobicContact CB-CG1 4.24Å; L223-I424 HydrophobicContact CD1-CG1 4.24Å; L226-I424 HydrophobicContact CD2-CB 4.22Å; L226-I424 HydrophobicContact CD2-CG1 4.21Å; L226-I424 HydrophobicContact CD2-CG2 4.16Å; A420-I424 WeakPolarHBondContact O-CG1 3.41Å; A420-I424 PolarHBondContact O-N 3.38Å; Q421-I424 PolarHBondContact O-N 3.28Å; Q421-I424 VanDerWaalsContact O-N 3.17Å; I424-K428 HydrophobicContact CG2-CD 3.9Å; I424-K428 VanDerWaalsContact O-CB 3.32Å; I424-K428 WeakPolarHBondContact O-CB 3.42Å; I424-K428 VanDerWaalsContact O-CG 3.25Å; I424-K428 WeakPolarHBondContact O-CG 3.24Å; I424-K428 PolarHBondContact O-N 3.48Å
425	T	98.4	Very high	97.1	Very high	17 Å²	17	25.6 Å²	25.6	10%	0.104	16%	0.161	C	C	.	.	H	α-helix	trans	-65.4	-51.1	179.7	-52.9	0	0	0	0	111.3	P191 Q421 I423 M427 K428 T429	P191-T425 HydrophobicContact CB-CG2 3.96Å; Q421-T425 PolarHBondContact NE2-OG1 3.46Å; Q421-T425 PolarHBondContact O-N 3.33Å; Q421-T425 PolarHBondContact O-OG1 3.48Å; I423-T425 PolarHBondContact O-N 3.33Å; T425-M427 VanDerWaalsContact C-N 3.33Å; T425-M427 PolarHBondContact O-N 3.13Å; T425-K428 PolarHBondContact O-N 2.89Å; T425-T429 PolarHBondContact O-N 3.39Å; T425-T429 PolarHBondContact O-OG1 3.11Å
426	S	98.1	Very high	97.2	Very high	0 Å²	0	28 Å²	28	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-62.7	-37.7	-179.2	57.3	0	0	0	0	112.7	Q422 I423 T429 I430	Q422-S426 WeakPolarHBondContact O-CB 3.33Å; Q422-S426 PolarHBondContact O-N 3.3Å; Q422-S426 VanDerWaalsContact O-N 3.14Å; Q422-S426 PolarHBondContact O-OG 3.06Å; I423-S426 PolarHBondContact O-N 3.29Å; I423-S426 PolarHBondContact O-OG 3.04Å; S426-T429 PolarHBondContact O-N 3.06Å; S426-I430 WeakPolarHBondContact O-CD1 3.29Å; S426-I430 WeakPolarHBondContact O-CG1 3.24Å; S426-I430 PolarHBondContact O-N 3.36Å
427	M	98.4	Very high	97.1	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-69.2	-40.1	175.7	-172.8	168.3	-71.8	0	0	112.3	L226 V227 F230 F381 F385 I423 T425 I430 M431	L226-M427 HydrophobicContact CD2-CB 3.94Å; L226-M427 HydrophobicContact CD2-CG 4.05Å; L226-M427 HydrophobicContact CD2-SD 4.14Å; L226-M427 HydrophobicContact CG-CG 4.06Å; L226-M427 HydrophobicContact CG-SD 3.86Å; V227-M427 HydrophobicContact CB-SD 4.47Å; V227-M427 HydrophobicContact CG2-CE 3.9Å; V227-M427 HydrophobicContact CG2-SD 3.89Å; F230-M427 HydrophobicContact CB-CE 4.34Å; F230-M427 HydrophobicContact CB-CG 4.05Å; F230-M427 HydrophobicContact CB-SD 3.55Å; F230-M427 VanDerWaalsContact CB-SD 3.55Å; F230-M427 HydrophobicContact CD1-CE 3.67Å; F230-M427 HydrophobicContact CD1-CG 4.31Å; F230-M427 HydrophobicContact CD1-SD 4Å; F230-M427 HydrophobicContact CD2-CG 4.07Å; F230-M427 HydrophobicContact CE1-CE 4.24Å; F230-M427 HydrophobicContact CG-CE 4.11Å; F230-M427 HydrophobicContact CG-CG 3.88Å; F230-M427 HydrophobicContact CG-SD 3.8Å; F381-M427 HydrophobicContact CE1-CE 4.33Å; F385-M427 HydrophobicContact CD1-CB 4.4Å; F385-M427 HydrophobicContact CD1-CE 4.19Å; F385-M427 HydrophobicContact CE1-CB 4.13Å; F385-M427 HydrophobicContact CE1-CE 3.37Å; F385-M427 HydrophobicContact CE1-CG 4.35Å; F385-M427 HydrophobicContact CE2-CE 4.38Å; F385-M427 HydrophobicContact CZ-CE 3.48Å; F385-M427 VanDerWaalsContact CZ-CE 3.48Å; I423-M427 HydrophobicContact CG2-CE 4.37Å; I423-M427 WeakPolarHBondContact O-CB 3.47Å; I423-M427 PolarHBondContact O-N 2.86Å; T425-M427 VanDerWaalsContact C-N 3.33Å; T425-M427 PolarHBondContact O-N 3.13Å; M427-I430 PolarHBondContact O-N 2.95Å; M427-M431 HydrophobicContact CG-SD 4.16Å; M427-M431 VanDerWaalsContact O-CG 3.31Å; M427-M431 WeakPolarHBondContact O-CG 3.41Å; M427-M431 PolarHBondContact O-N 2.79Å
428	K	98.3	Very high	97.1	Very high	55 Å²	55	33.4 Å²	33.4	24%	0.239	21%	0.206	C	C	.	.	H	α-helix	trans	-61.5	-42.7	172.1	-77.5	174.5	175.2	173.1	0	111.9	E222 L226 I424 T425 M431 G432 E433	E222-K428 IonicContact OE1-NZ 2.79Å; E222-K428 PolarHBondContact OE1-NZ 2.97Å; L226-K428 HydrophobicContact CD1-CG 4.11Å; L226-K428 HydrophobicContact CD2-CG 4.02Å; I424-K428 HydrophobicContact CG2-CD 3.9Å; I424-K428 VanDerWaalsContact O-CB 3.32Å; I424-K428 WeakPolarHBondContact O-CB 3.42Å; I424-K428 VanDerWaalsContact O-CG 3.25Å; I424-K428 WeakPolarHBondContact O-CG 3.24Å; I424-K428 PolarHBondContact O-N 3.48Å; T425-K428 PolarHBondContact O-N 2.89Å; K428-M431 CarbonylContact O-C 3.19Å; K428-M431 PolarHBondContact O-N 2.98Å; K428-G432 PolarHBondContact O-N 3.48Å; K428-E433 HydrophobicContact CB-CB 3.96Å; K428-E433 HydrophobicContact CG-CB 3.97Å; K428-E433 PolarHBondContact O-N 2.88Å
429	T	98	Very high	97.1	Very high	3 Å²	3	32.3 Å²	32.3	2%	0.018	20%	0.199	C	C	.	.	H	α-helix	trans	-61.1	-42.5	173.2	-60.2	0	0	0	0	112.2	F185 T425 S426 M431 G432 D434 L438 G439	F185-T429 HydrophobicContact CE1-CG2 3.91Å; F185-T429 HydrophobicContact CZ-CG2 3.75Å; T425-T429 PolarHBondContact O-N 3.39Å; T425-T429 PolarHBondContact O-OG1 3.11Å; S426-T429 PolarHBondContact O-N 3.06Å; T429-M431 VanDerWaalsContact C-N 3.26Å; T429-M431 PolarHBondContact O-N 3.12Å; T429-G432 PolarHBondContact O-N 3.49Å; T429-D434 VanDerWaalsContact CA-OD2 3.29Å; T429-D434 WeakPolarHBondContact CA-OD2 3.31Å; T429-D434 WeakPolarHBondContact CB-OD2 3.43Å; T429-D434 WeakPolarHBondContact CG2-OD2 3.44Å; T429-D434 PolarHBondContact OG1-OD2 3.21Å; T429-L438 HydrophobicContact CG2-CB 3.88Å; T429-L438 HydrophobicContact CG2-CD2 4.01Å; T429-L438 HydrophobicContact CG2-CG 3.99Å; T429-G439 VanDerWaalsContact O-CA 3.26Å; T429-G439 WeakPolarHBondContact O-CA 3.31Å; T429-G439 PolarHBondContact O-N 2.88Å
430	I	97.9	Very high	97	Very high	6 Å²	6	34.1 Å²	34.1	3%	0.031	21%	0.21	C	C	.	.	H	α-helix	trans	-61.2	-36.6	175	-66	160.6	0	0	0	111.4	L183 F185 F230 F385 S426 M427 L443	L183-I430 HydrophobicContact CD1-CD1 3.51Å; L183-I430 HydrophobicContact CD1-CG1 3.66Å; F185-I430 HydrophobicContact CE2-CD1 3.89Å; F185-I430 HydrophobicContact CE2-CG1 3.71Å; F185-I430 HydrophobicContact CZ-CG1 4.15Å; F230-I430 HydrophobicContact CE2-CB 4.45Å; F230-I430 HydrophobicContact CE2-CG2 3.69Å; F230-I430 HydrophobicContact CZ-CG2 3.9Å; F385-I430 HydrophobicContact CD1-CD1 3.89Å; F385-I430 HydrophobicContact CE1-CD1 3.64Å; S426-I430 WeakPolarHBondContact O-CD1 3.29Å; S426-I430 WeakPolarHBondContact O-CG1 3.24Å; S426-I430 PolarHBondContact O-N 3.36Å; M427-I430 PolarHBondContact O-N 2.95Å; I430-L443 HydrophobicContact CG2-CD1 4.23Å
431	M	97.8	Very high	97	Very high	53 Å²	53	36.8 Å²	36.8	26%	0.261	23%	0.225	S	C	.	.	H	α-helix	trans	-81.8	-9.9	178.8	-67.7	174.1	66.7	0	0	114.5	L226 R229 F230 M427 K428 T429 E433	L226-M431 HydrophobicContact CD1-CE 4.49Å; L226-M431 HydrophobicContact CD1-SD 3.9Å; R229-M431 HydrophobicContact CB-CE 4.33Å; F230-M431 HydrophobicContact CB-SD 3.99Å; F230-M431 HydrophobicContact CD2-CG 3.57Å; F230-M431 HydrophobicContact CD2-SD 3.72Å; F230-M431 HydrophobicContact CE2-CG 4.05Å; F230-M431 HydrophobicContact CG-SD 4.31Å; M427-M431 HydrophobicContact CG-SD 4.16Å; M427-M431 VanDerWaalsContact O-CG 3.31Å; M427-M431 WeakPolarHBondContact O-CG 3.41Å; M427-M431 PolarHBondContact O-N 2.79Å; K428-M431 CarbonylContact O-C 3.19Å; K428-M431 PolarHBondContact O-N 2.98Å; T429-M431 VanDerWaalsContact C-N 3.26Å; T429-M431 PolarHBondContact O-N 3.12Å; M431-E433 HydrophobicContact CB-CG 4.02Å; M431-E433 HydrophobicContact CE-CG 4.34Å; M431-E433 WeakPolarHBondContact CE-OE1 3.42Å; M431-E433 PolarHBondContact O-N 2.92Å
432	G	96.8	Very high	97	Very high	30 Å²	30	37.5 Å²	37.5	31%	0.309	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	69	12.7	-168.5	0	0	0	0	0	114.1	K428 T429 D434 G435	K428-G432 PolarHBondContact O-N 3.48Å; T429-G432 PolarHBondContact O-N 3.49Å; G432-D434 PolarHBondContact O-N 3.5Å; G432-G435 PolarHBondContact O-N 3.07Å
433	E	96.7	Very high	97	Very high	84 Å²	84	37.2 Å²	37.2	39%	0.393	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-12.2	174.8	-74.3	-168.2	-172.8	0	0	112.3	R229 K428 M431 G435	R229-E433 IonicContact CZ-OE1 2.76Å; R229-E433 IonicContact NE-OE1 3.57Å; R229-E433 PolarHBondContact NE-OE1 2.7Å; R229-E433 IonicContact NH2-OE1 2.66Å; R229-E433 PolarHBondContact NH2-OE1 2.89Å; R229-E433 IonicContact NH2-OE2 3.59Å; R229-E433 PolarHBondContact NH2-OE2 3.39Å; K428-E433 HydrophobicContact CB-CB 3.96Å; K428-E433 HydrophobicContact CG-CB 3.97Å; K428-E433 PolarHBondContact O-N 2.88Å; M431-E433 HydrophobicContact CB-CG 4.02Å; M431-E433 HydrophobicContact CE-CG 4.34Å; M431-E433 WeakPolarHBondContact CE-OE1 3.42Å; M431-E433 PolarHBondContact O-N 2.92Å; E433-G435 VanDerWaalsContact C-N 3.32Å
434	D	93.8	Very high	97	Very high	61 Å²	61	44 Å²	44	33%	0.326	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-0.7	170.2	71.2	1.5	0	0	0	114.1	T429 G432 T436	T429-D434 VanDerWaalsContact CA-OD2 3.29Å; T429-D434 WeakPolarHBondContact CA-OD2 3.31Å; T429-D434 WeakPolarHBondContact CB-OD2 3.43Å; T429-D434 WeakPolarHBondContact CG2-OD2 3.44Å; T429-D434 PolarHBondContact OG1-OD2 3.21Å; G432-D434 PolarHBondContact O-N 3.5Å; D434-T436 VanDerWaalsContact C-N 3.33Å; D434-T436 VanDerWaalsContact CG-OG1 3.31Å; D434-T436 WeakPolarHBondContact OD1-CB 3.5Å; D434-T436 PolarHBondContact OD1-N 3.31Å; D434-T436 PolarHBondContact OD1-OG1 2.68Å; D434-T436 PolarHBondContact OD2-OG1 3.34Å
435	G	93.9	Very high	96.9	Very high	75 Å²	75	47.2 Å²	47.2	77%	0.773	27%	0.266	S	S	*	.	S	Bend	trans	79.7	7.5	-178.8	0	0	0	0	0	115	G432 E433	G432-G435 PolarHBondContact O-N 3.07Å; E433-G435 VanDerWaalsContact C-N 3.32Å
436	T	95.4	Very high	96.9	Very high	64 Å²	64	46.5 Å²	46.5	39%	0.393	26%	0.262	S	S	.	.	S	Bend	trans	-108	165.1	-179.1	78.8	0	0	0	0	112.9	D434 L438	D434-T436 VanDerWaalsContact C-N 3.33Å; D434-T436 VanDerWaalsContact CG-OG1 3.31Å; D434-T436 WeakPolarHBondContact OD1-CB 3.5Å; D434-T436 PolarHBondContact OD1-N 3.31Å; D434-T436 PolarHBondContact OD1-OG1 2.68Å; D434-T436 PolarHBondContact OD2-OG1 3.34Å; T436-L438 VanDerWaalsContact C-N 3.33Å; T436-L438 WeakPolarHBondContact OG1-CB 3.44Å; T436-L438 PolarHBondContact OG1-N 3.31Å
437	S	95.6	Very high	96.9	Very high	72 Å²	72	49.3 Å²	49.3	50%	0.503	28%	0.281	S	S	.	.	S	Bend	trans	-86.5	-2	168.7	65.6	0	0	0	0	113.7	G439 T440 D441	S437-G439 VanDerWaalsContact C-N 3.29Å; S437-G439 PolarHBondContact O-N 3.31Å; S437-G439 VanDerWaalsContact O-N 3.16Å; S437-T440 WeakPolarHBondContact O-CB 3.23Å; S437-T440 PolarHBondContact O-N 2.71Å; S437-D441 WeakPolarHBondContact CB-OD2 3.4Å; S437-D441 PolarHBondContact O-N 3.19Å; S437-D441 PolarHBondContact OG-OD2 2.82Å
438	L	95.8	Very high	96.9	Very high	70 Å²	70	53.9 Å²	53.9	37%	0.366	30%	0.302	S	S	.	.	H	α-helix	trans	-59.6	-35.5	-163.9	-179.1	61.1	0	0	0	113.3	T429 T436 R442	T429-L438 HydrophobicContact CG2-CB 3.88Å; T429-L438 HydrophobicContact CG2-CD2 4.01Å; T429-L438 HydrophobicContact CG2-CG 3.99Å; T436-L438 VanDerWaalsContact C-N 3.33Å; T436-L438 WeakPolarHBondContact OG1-CB 3.44Å; T436-L438 PolarHBondContact OG1-N 3.31Å; L438-R442 HydrophobicContact CD1-CG 4.2Å; L438-R442 VanDerWaalsContact O-CB 3.29Å; L438-R442 WeakPolarHBondContact O-CB 3.36Å; L438-R442 VanDerWaalsContact O-CG 3.25Å; L438-R442 WeakPolarHBondContact O-CG 3.29Å; L438-R442 PolarHBondContact O-N 2.86Å
439	G	96.3	Very high	96.9	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-64.3	-51.7	173.7	0	0	0	0	0	113.2	T429 S437 D441 R442 L443	T429-G439 VanDerWaalsContact O-CA 3.26Å; T429-G439 WeakPolarHBondContact O-CA 3.31Å; T429-G439 PolarHBondContact O-N 2.88Å; S437-G439 VanDerWaalsContact C-N 3.29Å; S437-G439 PolarHBondContact O-N 3.31Å; S437-G439 VanDerWaalsContact O-N 3.16Å; G439-D441 VanDerWaalsContact C-N 3.3Å; G439-D441 PolarHBondContact O-N 3Å; G439-R442 PolarHBondContact O-N 2.78Å; G439-L443 WeakPolarHBondContact O-CB 3.36Å; G439-L443 WeakPolarHBondContact O-CG 3.36Å; G439-L443 PolarHBondContact O-N 3.05Å
440	T	96.3	Very high	96.9	Very high	75 Å²	75	51.1 Å²	51.1	46%	0.46	29%	0.29	S	S	.	.	H	α-helix	trans	-59	-41.1	177	-55.3	0	0	0	0	111.6	S437 L443 R444	S437-T440 WeakPolarHBondContact O-CB 3.23Å; S437-T440 PolarHBondContact O-N 2.71Å; T440-L443 PolarHBondContact O-N 2.81Å; T440-R444 WeakPolarHBondContact O-CB 3.38Å; T440-R444 PolarHBondContact O-N 3.26Å
441	D	97.4	Very high	96.8	Very high	56 Å²	56	53.6 Å²	53.6	30%	0.299	30%	0.303	S	S	.	.	H	α-helix	trans	-73.6	-38.3	-179.9	-65.2	-35.5	0	0	0	112	S437 G439 R444 Q445	S437-D441 WeakPolarHBondContact CB-OD2 3.4Å; S437-D441 PolarHBondContact O-N 3.19Å; S437-D441 PolarHBondContact OG-OD2 2.82Å; G439-D441 VanDerWaalsContact C-N 3.3Å; G439-D441 PolarHBondContact O-N 3Å; D441-R444 PolarHBondContact O-N 2.93Å; D441-R444 IonicContact OD1-CZ 3.51Å; D441-R444 IonicContact OD1-NE 3.22Å; D441-R444 IonicContact OD1-NH2 2.7Å; D441-R444 PolarHBondContact OD1-NH2 3.02Å; D441-Q445 VanDerWaalsContact O-CB 3.27Å; D441-Q445 WeakPolarHBondContact O-CB 3.35Å; D441-Q445 PolarHBondContact O-N 2.94Å
442	R	97.6	Very high	96.8	Very high	43 Å²	43	53 Å²	53	16%	0.162	30%	0.298	C	S	.	.	H	α-helix	trans	-62.7	-40.9	170.5	-76.4	172	172.6	-131.5	3.4	111.8	L183 G184 E187 L438 G439 Q445 L446 A518	L183-R442 HydrophobicContact CD2-CB 4.09Å; L183-R442 WeakPolarHBondContact O-CD 3.15Å; L183-R442 PolarHBondContact O-NH1 2.84Å; G184-R442 PolarHBondContact O-NH1 2.87Å; E187-R442 IonicContact OE2-CZ 3.51Å; E187-R442 IonicContact OE2-NH1 2.76Å; E187-R442 PolarHBondContact OE2-NH1 2.91Å; E187-R442 IonicContact OE2-NH2 2.85Å; E187-R442 PolarHBondContact OE2-NH2 3.24Å; L438-R442 HydrophobicContact CD1-CG 4.2Å; L438-R442 VanDerWaalsContact O-CB 3.29Å; L438-R442 WeakPolarHBondContact O-CB 3.36Å; L438-R442 VanDerWaalsContact O-CG 3.25Å; L438-R442 WeakPolarHBondContact O-CG 3.29Å; L438-R442 PolarHBondContact O-N 2.86Å; G439-R442 PolarHBondContact O-N 2.78Å; R442-Q445 PolarHBondContact O-N 3.28Å; R442-L446 WeakPolarHBondContact O-CB 3.45Å; R442-L446 PolarHBondContact O-N 2.74Å; R442-A518 HydrophobicContact CB-CB 3.9Å; R442-A518 HydrophobicContact CG-CB 4.2Å; R442-A518 WeakPolarHBondContact O-CB 3.49Å
443	L	97.9	Very high	96.9	Very high	17 Å²	17	51.5 Å²	51.5	9%	0.089	28%	0.284	C	S	.	.	H	α-helix	trans	-61.7	-45.4	174.3	-78.8	165.4	0	0	0	112.2	L183 I430 G439 T440 L446 S447	L183-L443 HydrophobicContact CD1-CD2 4.41Å; L183-L443 HydrophobicContact CD2-CD2 3.97Å; L183-L443 HydrophobicContact CD2-CG 4.11Å; I430-L443 HydrophobicContact CG2-CD1 4.23Å; G439-L443 WeakPolarHBondContact O-CB 3.36Å; G439-L443 WeakPolarHBondContact O-CG 3.36Å; G439-L443 PolarHBondContact O-N 3.05Å; T440-L443 PolarHBondContact O-N 2.81Å; L443-L446 PolarHBondContact O-N 2.91Å; L443-S447 PolarHBondContact O-N 3.03Å
444	R	97.5	Very high	96.9	Very high	142 Å²	142	47.5 Å²	47.5	54%	0.536	27%	0.265	S	S	.	.	H	α-helix	trans	-60.9	-51	176.4	-164	-157.8	-44.9	-133.4	6.8	111.2	T440 D441 L446 S447 E448	T440-R444 WeakPolarHBondContact O-CB 3.38Å; T440-R444 PolarHBondContact O-N 3.26Å; D441-R444 PolarHBondContact O-N 2.93Å; D441-R444 IonicContact OD1-CZ 3.51Å; D441-R444 IonicContact OD1-NE 3.22Å; D441-R444 IonicContact OD1-NH2 2.7Å; D441-R444 PolarHBondContact OD1-NH2 3.02Å; R444-L446 VanDerWaalsContact C-N 3.33Å; R444-L446 PolarHBondContact O-N 2.75Å; R444-S447 WeakPolarHBondContact O-CB 3.25Å; R444-S447 PolarHBondContact O-N 3.28Å; R444-S447 VanDerWaalsContact O-N 3.15Å; R444-E448 WeakPolarHBondContact CD-OE1 3.34Å; R444-E448 WeakPolarHBondContact CG-OE1 3.35Å; R444-E448 WeakPolarHBondContact O-CG 3.18Å; R444-E448 PolarHBondContact O-N 3.17Å
445	Q	98.2	Very high	97	Very high	69 Å²	69	49.4 Å²	49.4	32%	0.322	27%	0.267	S	S	.	.	H	α-helix	trans	-59.7	-40.6	-179.6	-171.1	66	59.4	0	0	112	D441 R442 N449 A518	D441-Q445 VanDerWaalsContact O-CB 3.27Å; D441-Q445 WeakPolarHBondContact O-CB 3.35Å; D441-Q445 PolarHBondContact O-N 2.94Å; R442-Q445 PolarHBondContact O-N 3.28Å; Q445-N449 PolarHBondContact NE2-OD1 3.46Å; Q445-N449 WeakPolarHBondContact O-CB 3.46Å; Q445-N449 PolarHBondContact O-N 3.43Å; Q445-N449 PolarHBondContact O-ND2 3.24Å; Q445-A518 HydrophobicContact CB-CB 4.43Å; Q445-A518 VanDerWaalsContact CG-O 3.23Å; Q445-A518 WeakPolarHBondContact CG-O 3.44Å
446	L	98.4	Very high	97.2	Very high	2 Å²	2	49.7 Å²	49.7	1%	0.01	25%	0.245	C	C	.	.	H	α-helix	trans	-61.3	-45.7	174.9	176.6	61	0	0	0	112.1	L183 A355 R442 L443 R444 T450 P471 V516 A518	L183-L446 HydrophobicContact CD2-CD2 4.08Å; A355-L446 HydrophobicContact CB-CD2 4.23Å; R442-L446 WeakPolarHBondContact O-CB 3.45Å; R442-L446 PolarHBondContact O-N 2.74Å; L443-L446 PolarHBondContact O-N 2.91Å; R444-L446 VanDerWaalsContact C-N 3.33Å; R444-L446 PolarHBondContact O-N 2.75Å; L446-T450 WeakPolarHBondContact O-CB 3.25Å; L446-T450 PolarHBondContact O-N 2.92Å; L446-T450 PolarHBondContact O-OG1 2.99Å; L446-P471 HydrophobicContact CD1-CB 3.9Å; L446-V516 WeakPolarHBondContact CD1-O 3.37Å; L446-A518 HydrophobicContact CB-CB 4.19Å
447	S	97.3	Very high	97.3	Very high	58 Å²	58	46.6 Å²	46.6	41%	0.406	23%	0.226	S	C	.	.	H	α-helix	trans	-63.4	-46	178.8	-179.6	0	0	0	0	112	L443 R444 T450 N451	L443-S447 PolarHBondContact O-N 3.03Å; R444-S447 WeakPolarHBondContact O-CB 3.25Å; R444-S447 PolarHBondContact O-N 3.28Å; R444-S447 VanDerWaalsContact O-N 3.15Å; S447-T450 PolarHBondContact O-N 3.02Å; S447-N451 WeakPolarHBondContact O-CB 3.21Å; S447-N451 PolarHBondContact O-N 3.06Å; S447-N451 PolarHBondContact O-ND2 3Å; S447-N451 VanDerWaalsContact O-ND2 3.16Å
448	E	97.7	Very high	97.2	Very high	96 Å²	96	46 Å²	46	45%	0.449	21%	0.213	S	C	.	.	H	α-helix	trans	-65.4	-44.6	177.4	-71.2	179.3	-156.7	0	0	112.1	R444 T450 Y452	R444-E448 WeakPolarHBondContact CD-OE1 3.34Å; R444-E448 WeakPolarHBondContact CG-OE1 3.35Å; R444-E448 WeakPolarHBondContact O-CG 3.18Å; R444-E448 PolarHBondContact O-N 3.17Å; E448-T450 PolarHBondContact O-N 3.38Å; E448-Y452 WeakPolarHBondContact O-CB 3.46Å; E448-Y452 PolarHBondContact O-N 2.97Å
449	N	98.4	Very high	97.1	Very high	0 Å²	0	45 Å²	45	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-62.4	-41.6	176.2	-78.7	-10	0	0	0	112.2	Q445 F453 V516 S517 H520 R522 L525	Q445-N449 PolarHBondContact NE2-OD1 3.46Å; Q445-N449 WeakPolarHBondContact O-CB 3.46Å; Q445-N449 PolarHBondContact O-N 3.43Å; Q445-N449 PolarHBondContact O-ND2 3.24Å; N449-F453 VanDerWaalsContact O-CB 3.26Å; N449-F453 WeakPolarHBondContact O-CB 3.49Å; N449-F453 PolarHBondContact O-N 3.1Å; N449-V516 HydrophobicContact CB-CG1 3.58Å; N449-S517 PolarHBondContact ND2-O 3.22Å; N449-H520 PolarHBondContact ND2-O 3.45Å; N449-R522 PolarHBondContact OD1-NH1 3.28Å; N449-L525 HydrophobicContact CB-CD1 3.69Å; N449-L525 VanDerWaalsContact CG-CD1 3.47Å; N449-L525 WeakPolarHBondContact OD1-CD1 3.29Å
450	T	97.7	Very high	97.1	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.006	22%	0.215	C	C	.	.	H	α-helix	trans	-63.2	-54.3	178.4	-65.1	0	0	0	0	110.7	L446 S447 E448 Y452 F453 R454 S470 P471	L446-T450 WeakPolarHBondContact O-CB 3.25Å; L446-T450 PolarHBondContact O-N 2.92Å; L446-T450 PolarHBondContact O-OG1 2.99Å; S447-T450 PolarHBondContact O-N 3.02Å; E448-T450 PolarHBondContact O-N 3.38Å; T450-Y452 VanDerWaalsContact C-N 3.31Å; T450-Y452 PolarHBondContact O-N 3.48Å; T450-F453 PolarHBondContact O-N 2.9Å; T450-R454 WeakPolarHBondContact O-CB 3.34Å; T450-R454 VanDerWaalsContact O-CG 3.28Å; T450-R454 WeakPolarHBondContact O-CG 3.43Å; T450-R454 PolarHBondContact O-N 2.86Å; T450-S470 VanDerWaalsContact CG2-C 3.4Å; T450-S470 VanDerWaalsContact CG2-O 3.22Å; T450-S470 WeakPolarHBondContact CG2-O 3.45Å; T450-P471 HydrophobicContact CG2-CB 4.45Å
451	N	96.9	Very high	97.1	Very high	57 Å²	57	44 Å²	44	31%	0.305	20%	0.201	S	C	.	.	H	α-helix	trans	-61.6	-39.1	178.7	-87.1	-77.5	0	0	0	111.8	S447 R455 D469	S447-N451 WeakPolarHBondContact O-CB 3.21Å; S447-N451 PolarHBondContact O-N 3.06Å; S447-N451 PolarHBondContact O-ND2 3Å; S447-N451 VanDerWaalsContact O-ND2 3.16Å; N451-R455 WeakPolarHBondContact O-CB 3.31Å; N451-R455 PolarHBondContact O-N 2.97Å; N451-D469 PolarHBondContact ND2-OD1 2.88Å; N451-D469 VanDerWaalsContact ND2-OD1 3.13Å
452	Y	98.3	Very high	97	Very high	40 Å²	40	41.4 Å²	41.4	16%	0.157	19%	0.187	C	C	.	.	H	α-helix	trans	-60.5	-58	173.8	-178.5	-101	0	0	0	112	E448 T450 R454 R455 R456 L525 D526 L529	E448-Y452 WeakPolarHBondContact O-CB 3.46Å; E448-Y452 PolarHBondContact O-N 2.97Å; T450-Y452 VanDerWaalsContact C-N 3.31Å; T450-Y452 PolarHBondContact O-N 3.48Å; Y452-R454 PolarHBondContact O-N 3.32Å; Y452-R455 PolarHBondContact O-N 2.88Å; Y452-R455 VanDerWaalsContact O-N 3.16Å; Y452-R456 HydrophobicContact CD1-CG 4.26Å; Y452-R456 HydrophobicContact CD2-CG 4.27Å; Y452-R456 HydrophobicContact CE1-CG 3.87Å; Y452-R456 HydrophobicContact CE2-CG 3.86Å; Y452-R456 HydrophobicContact CG-CG 4.43Å; Y452-R456 WeakPolarHBondContact O-CG 3.32Å; Y452-R456 PolarHBondContact O-N 2.72Å; Y452-L525 HydrophobicContact CD1-CD1 4.48Å; Y452-D526 VanDerWaalsContact CE1-OD1 3.26Å; Y452-D526 WeakPolarHBondContact CE1-OD1 3.21Å; Y452-D526 VanDerWaalsContact CZ-OD1 3.29Å; Y452-D526 PolarHBondContact OH-OD1 3.07Å; Y452-L529 HydrophobicContact CD1-CD1 4.35Å; Y452-L529 HydrophobicContact CE1-CD1 3.73Å
453	F	98.3	Very high	96.9	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-61.4	-43.6	-175.1	-174.2	-104.3	0	0	0	111.6	M177 N449 T450 R456 L457 V473 F514 V516 L525 L529 I532	M177-F453 HydrophobicContact CE-CD2 4.21Å; M177-F453 HydrophobicContact CE-CE1 4.24Å; M177-F453 HydrophobicContact CE-CE2 3.69Å; M177-F453 HydrophobicContact CE-CZ 3.71Å; N449-F453 VanDerWaalsContact O-CB 3.26Å; N449-F453 WeakPolarHBondContact O-CB 3.49Å; N449-F453 PolarHBondContact O-N 3.1Å; T450-F453 PolarHBondContact O-N 2.9Å; F453-R456 PolarHBondContact O-N 3.26Å; F453-L457 HydrophobicContact CD1-CD1 3.96Å; F453-L457 HydrophobicContact CE1-CD1 3.53Å; F453-L457 HydrophobicContact CE1-CG 4.42Å; F453-L457 HydrophobicContact CZ-CD1 3.91Å; F453-L457 HydrophobicContact CZ-CG 4.5Å; F453-L457 WeakPolarHBondContact O-CG 3.44Å; F453-L457 PolarHBondContact O-N 2.67Å; F453-L457 VanDerWaalsContact O-N 3.08Å; F453-V473 HydrophobicContact CD1-CB 4.3Å; F453-V473 HydrophobicContact CD1-CG1 4.15Å; F453-V473 HydrophobicContact CD1-CG2 4.21Å; F453-V473 HydrophobicContact CE1-CB 4.28Å; F453-V473 HydrophobicContact CE1-CG1 4.15Å; F453-F514 HydrophobicContact CE1-CB 3.77Å; F453-F514 HydrophobicContact CE1-CD2 4.06Å; F453-F514 AromaticContact CE1-CG 3.97Å; F453-F514 HydrophobicContact CE1-CG 3.97Å; F453-F514 HydrophobicContact CZ-CB 4.2Å; F453-F514 HydrophobicContact CZ-CD1 4.4Å; F453-F514 HydrophobicContact CZ-CD2 4.14Å; F453-F514 AromaticContact CZ-CG 4Å; F453-F514 HydrophobicContact CZ-CG 4Å; F453-V516 HydrophobicContact CB-CG2 4.28Å; F453-V516 HydrophobicContact CD1-CG2 3.84Å; F453-V516 HydrophobicContact CG-CG2 4.24Å; F453-L525 HydrophobicContact CD2-CD2 4.08Å; F453-L529 HydrophobicContact CD2-CD1 4.15Å; F453-L529 HydrophobicContact CD2-CD2 3.68Å; F453-L529 HydrophobicContact CD2-CG 3.75Å; F453-L529 HydrophobicContact CE2-CD2 3.73Å; F453-L529 HydrophobicContact CE2-CG 3.87Å; F453-L529 HydrophobicContact CG-CD2 4.49Å; F453-I532 HydrophobicContact CE2-CD1 3.99Å; F453-I532 HydrophobicContact CZ-CD1 3.68Å
454	R	97.1	Very high	96.8	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-62.4	-42	175	-69.1	-176.1	67.7	93.3	2.2	112.6	T450 Y452 R458 I464 Y465 G466 N467 D468 V472 V473	T450-R454 WeakPolarHBondContact O-CB 3.34Å; T450-R454 VanDerWaalsContact O-CG 3.28Å; T450-R454 WeakPolarHBondContact O-CG 3.43Å; T450-R454 PolarHBondContact O-N 2.86Å; Y452-R454 PolarHBondContact O-N 3.32Å; R454-R458 WeakPolarHBondContact O-CG 3.4Å; R454-R458 PolarHBondContact O-N 3.46Å; R454-R458 PolarHBondContact O-NE 3.14Å; R454-I464 HydrophobicContact CB-CD1 3.85Å; R454-I464 HydrophobicContact CG-CD1 4.1Å; R454-I464 WeakPolarHBondContact O-CD1 3.28Å; R454-Y465 PolarHBondContact NH1-O 2.98Å; R454-Y465 PolarHBondContact NH2-O 3Å; R454-G466 PolarHBondContact NH2-O 2.88Å; R454-G466 VanDerWaalsContact NH2-O 3.13Å; R454-N467 PolarHBondContact NE-O 3.29Å; R454-N467 VanDerWaalsContact NE-O 3.15Å; R454-N467 PolarHBondContact NH1-O 3.23Å; R454-N467 PolarHBondContact NH2-O 3.22Å; R454-D468 WeakPolarHBondContact CD-O 3.49Å; R454-D468 IonicContact CZ-OD1 3.65Å; R454-D468 IonicContact NE-OD1 3.89Å; R454-D468 PolarHBondContact NE-OD1 3.18Å; R454-D468 VanDerWaalsContact NE-OD1 3.12Å; R454-D468 IonicContact NH2-OD1 3.49Å; R454-V472 PolarHBondContact NH1-O 3.44Å; R454-V473 HydrophobicContact CG-CB 4.36Å; R454-V473 HydrophobicContact CG-CG1 3.91Å; R454-V473 HydrophobicContact CG-CG2 3.5Å; R454-V473 VanDerWaalsContact CG-CG2 3.5Å
455	R	95.8	Very high	96.6	Very high	100 Å²	100	32.8 Å²	32.8	38%	0.377	15%	0.154	S	C	.	.	H	α-helix	trans	-61.4	-50.5	175.8	176.6	178	67.1	85.7	-7.3	111.6	N451 Y452 L457 R458 E459	N451-R455 WeakPolarHBondContact O-CB 3.31Å; N451-R455 PolarHBondContact O-N 2.97Å; Y452-R455 PolarHBondContact O-N 2.88Å; Y452-R455 VanDerWaalsContact O-N 3.16Å; R455-L457 PolarHBondContact O-N 2.95Å; R455-R458 PolarHBondContact O-N 3.48Å; R455-R458 VanDerWaalsContact O-N 3.14Å; R455-E459 VanDerWaalsContact CD-OE1 3.32Å; R455-E459 WeakPolarHBondContact CD-OE1 3.33Å; R455-E459 HydrophobicContact CG-CG 4.41Å; R455-E459 WeakPolarHBondContact CG-OE1 3.37Å; R455-E459 IonicContact CZ-OE1 3.84Å; R455-E459 IonicContact NE-OE1 2.64Å; R455-E459 VanDerWaalsContact NH1-CD 3.31Å; R455-E459 IonicContact NH1-OE1 2.71Å; R455-E459 PolarHBondContact NH1-OE1 3.43Å; R455-E459 IonicContact NH1-OE2 2.75Å; R455-E459 PolarHBondContact NH1-OE2 3.4Å; R455-E459 VanDerWaalsContact NH1-OE2 3.13Å; R455-E459 WeakPolarHBondContact O-CG 3.37Å; R455-E459 PolarHBondContact O-N 3.48Å
456	R	97.6	Very high	96.5	Very high	81 Å²	81	29.5 Å²	29.5	31%	0.306	14%	0.139	S	C	.	.	H	α-helix	trans	-63	-40.7	-177.4	-62	-63.6	-74.5	146	-6	112.1	Y452 F453 R458 E459 M460 L529	Y452-R456 HydrophobicContact CD1-CG 4.26Å; Y452-R456 HydrophobicContact CD2-CG 4.27Å; Y452-R456 HydrophobicContact CE1-CG 3.87Å; Y452-R456 HydrophobicContact CE2-CG 3.86Å; Y452-R456 HydrophobicContact CG-CG 4.43Å; Y452-R456 WeakPolarHBondContact O-CG 3.32Å; Y452-R456 PolarHBondContact O-N 2.72Å; F453-R456 PolarHBondContact O-N 3.26Å; R456-R458 VanDerWaalsContact C-N 3.33Å; R456-R458 PolarHBondContact O-N 2.9Å; R456-E459 WeakPolarHBondContact CD-OE2 3.28Å; R456-E459 IonicContact CZ-OE2 3.59Å; R456-E459 IonicContact NE-OE2 3.58Å; R456-E459 IonicContact NH1-OE2 2.69Å; R456-E459 PolarHBondContact NH1-OE2 3.45Å; R456-E459 PolarHBondContact O-N 3.29Å; R456-M460 WeakPolarHBondContact O-CB 3.42Å; R456-M460 VanDerWaalsContact O-CG 3.27Å; R456-M460 WeakPolarHBondContact O-CG 3.25Å; R456-M460 PolarHBondContact O-N 2.92Å; R456-L529 HydrophobicContact CB-CD1 3.55Å; R456-L529 HydrophobicContact CB-CD2 3.75Å; R456-L529 HydrophobicContact CB-CG 4.28Å; R456-L529 HydrophobicContact CG-CD1 3.78Å
457	L	97.1	Very high	96.3	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-61.8	-38.2	173.7	-70.6	179.3	0	0	0	113	F453 R455 M460 G461 F462 I464 V473 L475 L529 I532	F453-L457 HydrophobicContact CD1-CD1 3.96Å; F453-L457 HydrophobicContact CE1-CD1 3.53Å; F453-L457 HydrophobicContact CE1-CG 4.42Å; F453-L457 HydrophobicContact CZ-CD1 3.91Å; F453-L457 HydrophobicContact CZ-CG 4.5Å; F453-L457 WeakPolarHBondContact O-CG 3.44Å; F453-L457 PolarHBondContact O-N 2.67Å; F453-L457 VanDerWaalsContact O-N 3.08Å; R455-L457 PolarHBondContact O-N 2.95Å; L457-M460 PolarHBondContact O-N 3.2Å; L457-G461 PolarHBondContact O-N 3.33Å; L457-F462 HydrophobicContact CB-CD2 4.45Å; L457-F462 HydrophobicContact CD2-CD2 3.84Å; L457-F462 HydrophobicContact CD2-CE2 4.21Å; L457-F462 WeakPolarHBondContact O-CB 3.24Å; L457-F462 WeakPolarHBondContact O-CD2 3.48Å; L457-F462 PolarHBondContact O-N 2.67Å; L457-F462 VanDerWaalsContact O-N 3.12Å; L457-I464 HydrophobicContact CB-CG2 4.03Å; L457-I464 HydrophobicContact CD1-CG2 4.03Å; L457-V473 HydrophobicContact CD1-CG1 3.91Å; L457-L475 HydrophobicContact CD1-CD1 4.28Å; L457-L475 HydrophobicContact CD2-CD1 4Å; L457-L529 HydrophobicContact CD2-CD2 3.65Å; L457-L529 HydrophobicContact CG-CD2 3.78Å; L457-I532 HydrophobicContact CD2-CB 4.41Å; L457-I532 HydrophobicContact CD2-CD1 4.28Å; L457-I532 HydrophobicContact CD2-CG2 3.66Å
458	R	94	Very high	96.1	Very high	60 Å²	60	27.8 Å²	27.8	23%	0.226	13%	0.125	C	C	.	.	H	α-helix	trans	-66.9	-43.1	174.4	-74.3	-174.5	-93.9	102.2	-7.8	112	R454 R455 R456 M460 G461 I464 D468	R454-R458 WeakPolarHBondContact O-CG 3.4Å; R454-R458 PolarHBondContact O-N 3.46Å; R454-R458 PolarHBondContact O-NE 3.14Å; R455-R458 PolarHBondContact O-N 3.48Å; R455-R458 VanDerWaalsContact O-N 3.14Å; R456-R458 VanDerWaalsContact C-N 3.33Å; R456-R458 PolarHBondContact O-N 2.9Å; R458-M460 VanDerWaalsContact C-N 3.27Å; R458-M460 PolarHBondContact O-N 3.46Å; R458-G461 PolarHBondContact O-N 3.49Å; R458-I464 HydrophobicContact CG-CD1 3.84Å; R458-I464 HydrophobicContact CG-CG1 3.89Å; R458-D468 IonicContact CZ-OD1 3.72Å; R458-D468 IonicContact CZ-OD2 3.55Å; R458-D468 IonicContact NE-OD1 2.82Å; R458-D468 IonicContact NH2-OD1 4Å; R458-D468 PolarHBondContact NH2-OD1 2.76Å; R458-D468 IonicContact NH2-OD2 2.67Å; R458-D468 PolarHBondContact NH2-OD2 2.88Å
459	E	94.4	Very high	96	Very high	48 Å²	48	24.7 Å²	24.7	22%	0.224	11%	0.112	C	C	.	.	H	α-helix	trans	-62.7	-32.7	175.5	-71.4	166.6	-174.6	0	0	112.9	R455 R456 G461 P549	R455-E459 VanDerWaalsContact CD-OE1 3.32Å; R455-E459 WeakPolarHBondContact CD-OE1 3.33Å; R455-E459 HydrophobicContact CG-CG 4.41Å; R455-E459 WeakPolarHBondContact CG-OE1 3.37Å; R455-E459 IonicContact CZ-OE1 3.84Å; R455-E459 IonicContact NE-OE1 2.64Å; R455-E459 VanDerWaalsContact NH1-CD 3.31Å; R455-E459 IonicContact NH1-OE1 2.71Å; R455-E459 PolarHBondContact NH1-OE1 3.43Å; R455-E459 IonicContact NH1-OE2 2.75Å; R455-E459 PolarHBondContact NH1-OE2 3.4Å; R455-E459 VanDerWaalsContact NH1-OE2 3.13Å; R455-E459 WeakPolarHBondContact O-CG 3.37Å; R455-E459 PolarHBondContact O-N 3.48Å; R456-E459 WeakPolarHBondContact CD-OE2 3.28Å; R456-E459 IonicContact CZ-OE2 3.59Å; R456-E459 IonicContact NE-OE2 3.58Å; R456-E459 IonicContact NH1-OE2 2.69Å; R456-E459 PolarHBondContact NH1-OE2 3.45Å; R456-E459 PolarHBondContact O-N 3.29Å; E459-G461 PolarHBondContact O-N 3.49Å; E459-P549 HydrophobicContact CG-CG 4.24Å
460	M	95.4	Very high	95.9	Very high	38 Å²	38	24.7 Å²	24.7	19%	0.187	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-6.8	172.9	-71.1	173.2	172.4	0	0	114	R456 L457 R458 F462 L529 K542	R456-M460 WeakPolarHBondContact O-CB 3.42Å; R456-M460 VanDerWaalsContact O-CG 3.27Å; R456-M460 WeakPolarHBondContact O-CG 3.25Å; R456-M460 PolarHBondContact O-N 2.92Å; L457-M460 PolarHBondContact O-N 3.2Å; R458-M460 VanDerWaalsContact C-N 3.27Å; R458-M460 PolarHBondContact O-N 3.46Å; M460-F462 HydrophobicContact CB-CD2 3.67Å; M460-F462 HydrophobicContact CB-CE2 3.65Å; M460-F462 HydrophobicContact CG-CE2 4.46Å; M460-F462 HydrophobicContact SD-CE2 4.09Å; M460-L529 HydrophobicContact CE-CB 3.95Å; M460-L529 HydrophobicContact SD-CD2 4.4Å; M460-K542 VanDerWaalsContact O-CD 3.26Å; M460-K542 WeakPolarHBondContact O-CD 3.33Å; M460-K542 WeakPolarHBondContact O-CG 3.42Å
461	G	95.2	Very high	95.9	Very high	16 Å²	16	24.6 Å²	24.6	17%	0.165	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.9	14.6	178.1	0	0	0	0	0	115.3	L457 R458 E459 K542 Y543 S544	L457-G461 PolarHBondContact O-N 3.33Å; R458-G461 PolarHBondContact O-N 3.49Å; E459-G461 PolarHBondContact O-N 3.49Å; G461-K542 CarbonylContact O-C 3.49Å; G461-K542 VanDerWaalsContact O-CA 3.3Å; G461-K542 WeakPolarHBondContact O-CA 3.14Å; G461-Y543 PolarHBondContact O-N 2.99Å; G461-S544 WeakPolarHBondContact O-CB 3.41Å; G461-S544 PolarHBondContact O-N 3.26Å
462	F	96.2	Very high	95.9	Very high	1 Å²	1	21.9 Å²	21.9	0%	0.004	10%	0.097	C	C	.	.			trans	-78	144.8	173.4	-64	-73.6	0	0	0	111.8	L457 M460 I464 L475 I532 L541 K542	L457-F462 HydrophobicContact CB-CD2 4.45Å; L457-F462 HydrophobicContact CD2-CD2 3.84Å; L457-F462 HydrophobicContact CD2-CE2 4.21Å; L457-F462 WeakPolarHBondContact O-CB 3.24Å; L457-F462 WeakPolarHBondContact O-CD2 3.48Å; L457-F462 PolarHBondContact O-N 2.67Å; L457-F462 VanDerWaalsContact O-N 3.12Å; M460-F462 HydrophobicContact CB-CD2 3.67Å; M460-F462 HydrophobicContact CB-CE2 3.65Å; M460-F462 HydrophobicContact CG-CE2 4.46Å; M460-F462 HydrophobicContact SD-CE2 4.09Å; F462-I464 HydrophobicContact CB-CG2 4.47Å; F462-L475 HydrophobicContact CB-CD1 4.02Å; F462-L475 HydrophobicContact CB-CG 4.16Å; F462-L475 HydrophobicContact CD1-CD1 3.82Å; F462-L475 HydrophobicContact CD1-CD2 4.13Å; F462-L475 HydrophobicContact CD1-CG 4.18Å; F462-L475 HydrophobicContact CD2-CD1 4.16Å; F462-L475 HydrophobicContact CE1-CD1 4.31Å; F462-L475 HydrophobicContact CG-CD1 3.74Å; F462-L475 HydrophobicContact CG-CG 4.27Å; F462-I532 HydrophobicContact CD2-CG2 4.39Å; F462-I532 HydrophobicContact CE1-CG2 4.43Å; F462-I532 HydrophobicContact CE2-CG2 3.76Å; F462-I532 HydrophobicContact CZ-CG2 3.79Å; F462-I532 VanDerWaalsContact CZ-O 3.32Å; F462-I532 WeakPolarHBondContact CZ-O 3.43Å; F462-L541 HydrophobicContact CD1-CB 4.27Å; F462-L541 HydrophobicContact CE1-CB 3.95Å; F462-K542 HydrophobicContact CD1-CG 4.1Å; F462-K542 HydrophobicContact CE1-CG 3.72Å; F462-K542 HydrophobicContact CE2-CG 4.31Å; F462-K542 HydrophobicContact CZ-CD 4.41Å; F462-K542 HydrophobicContact CZ-CG 3.83Å
463	I	95.6	Very high	95.9	Very high	3 Å²	3	20 Å²	20	2%	0.015	9%	0.089	C	C	.	.			trans	-82.1	116.8	164.9	-63	175.8	0	0	0	107.8	E68 P71 Y465 M476 Y478	E68-I463 HydrophobicContact CB-CD1 4.47Å; E68-I463 HydrophobicContact CB-CG1 4.45Å; E68-I463 HydrophobicContact CB-CG2 3.98Å; E68-I463 HydrophobicContact CG-CD1 4.24Å; E68-I463 HydrophobicContact CG-CG1 4.47Å; P71-I463 HydrophobicContact CG-CD1 4.21Å; I463-Y465 HydrophobicContact CG2-CD1 4.07Å; I463-Y465 HydrophobicContact CG2-CE1 3.7Å; I463-M476 HydrophobicContact CB-CB 4.42Å; I463-M476 HydrophobicContact CB-CG 4.37Å; I463-M476 HydrophobicContact CG2-CB 4.37Å; I463-M476 HydrophobicContact CG2-CG 3.83Å; I463-M476 PolarHBondContact O-N 3.03Å; I463-Y478 WeakPolarHBondContact CD1-OH 3.48Å
464	I	95.6	Very high	95.8	Very high	5 Å²	5	20 Å²	20	3%	0.026	9%	0.089	C	C	.	.	B	Isolated β-bridge	trans	-117.6	148.6	170.2	67.8	171	0	0	0	110.4	R454 L457 R458 F462 V473 P474 L475	R454-I464 HydrophobicContact CB-CD1 3.85Å; R454-I464 HydrophobicContact CG-CD1 4.1Å; R454-I464 WeakPolarHBondContact O-CD1 3.28Å; L457-I464 HydrophobicContact CB-CG2 4.03Å; L457-I464 HydrophobicContact CD1-CG2 4.03Å; R458-I464 HydrophobicContact CG-CD1 3.84Å; R458-I464 HydrophobicContact CG-CG1 3.89Å; F462-I464 HydrophobicContact CB-CG2 4.47Å; I464-V473 HydrophobicContact CB-CG1 4.5Å; I464-V473 HydrophobicContact CD1-CG1 4.21Å; I464-V473 HydrophobicContact CG2-CG1 4.4Å; I464-P474 VanDerWaalsContact CA-O 3.22Å; I464-P474 WeakPolarHBondContact CA-O 3.3Å; I464-L475 HydrophobicContact CG2-CB 4.25Å; I464-L475 HydrophobicContact CG2-CG 4.47Å
465	Y	94.5	Very high	95.8	Very high	14 Å²	14	20 Å²	20	6%	0.055	9%	0.089	C	C	.	.			trans	-104	168.9	-178.5	-78	5	0	0	0	113.6	Y66 F67 E68 E325 R454 I463 P474 M476	Y66-Y465 CarbonylContact O-C 3.54Å; Y66-Y465 VanDerWaalsContact O-CA 3.29Å; Y66-Y465 WeakPolarHBondContact O-CA 3.38Å; F67-Y465 HydrophobicContact CD1-CD1 4.23Å; F67-Y465 AromaticContact CD1-CD2 3.83Å; F67-Y465 HydrophobicContact CD1-CD2 3.83Å; F67-Y465 HydrophobicContact CD1-CE2 4.33Å; F67-Y465 AromaticContact CD1-CG 3.78Å; F67-Y465 HydrophobicContact CD1-CG 3.78Å; F67-Y465 HydrophobicContact CE1-CD2 4.21Å; F67-Y465 HydrophobicContact CE1-CG 4.19Å; E68-Y465 WeakPolarHBondContact O-CE1 3.44Å; E68-Y465 PolarHBondContact O-OH 2.89Å; E325-Y465 CarbonylContact O-C 3.56Å; R454-Y465 PolarHBondContact NH1-O 2.98Å; R454-Y465 PolarHBondContact NH2-O 3Å; I463-Y465 HydrophobicContact CG2-CD1 4.07Å; I463-Y465 HydrophobicContact CG2-CE1 3.7Å; Y465-P474 PolarHBondContact N-O 2.84Å; Y465-P474 WeakPolarHBondContact O-CD 3.3Å; Y465-M476 HydrophobicContact CD1-CG 4.02Å; Y465-M476 HydrophobicContact CD1-SD 4.15Å; Y465-M476 HydrophobicContact CD2-CE 4.03Å; Y465-M476 HydrophobicContact CD2-SD 3.67Å; Y465-M476 HydrophobicContact CE1-CG 3.86Å; Y465-M476 HydrophobicContact CE1-SD 4.24Å; Y465-M476 HydrophobicContact CE2-CE 3.55Å; Y465-M476 HydrophobicContact CE2-CG 4.38Å; Y465-M476 HydrophobicContact CE2-SD 3.75Å; Y465-M476 HydrophobicContact CG-CG 4.36Å; Y465-M476 HydrophobicContact CG-SD 3.88Å
466	G	94.1	Very high	95.8	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	87.3	-168.8	169.8	0	0	0	0	0	115.4	E65 Y66 E325 G326 R454	E65-G466 WeakPolarHBondContact CA-O 3.23Å; Y66-G466 PolarHBondContact N-O 2.95Å; Y66-G466 PolarHBondContact O-N 2.72Å; E325-G466 WeakPolarHBondContact O-CA 3.26Å; E325-G466 PolarHBondContact O-N 2.98Å; G326-G466 WeakPolarHBondContact O-CA 3.47Å; R454-G466 PolarHBondContact NH2-O 2.88Å; R454-G466 VanDerWaalsContact NH2-O 3.13Å
467	N	95.2	Very high	95.8	Very high	2 Å²	2	11.4 Å²	11.4	1%	0.011	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	148.2	-178.9	-165.9	-70.6	0	0	0	112.1	F63 M64 E65 G326 I328 R454 D469 S470	F63-N467 WeakPolarHBondContact CE2-ND2 3.5Å; M64-N467 WeakPolarHBondContact O-CA 3.41Å; E65-N467 HydrophobicContact CG-CB 3.93Å; E65-N467 WeakPolarHBondContact CG-ND2 3.46Å; G326-N467 PolarHBondContact O-N 2.87Å; I328-N467 HydrophobicContact CB-CB 4.18Å; I328-N467 HydrophobicContact CD1-CB 3.78Å; I328-N467 HydrophobicContact CG1-CB 3.77Å; R454-N467 PolarHBondContact NE-O 3.29Å; R454-N467 VanDerWaalsContact NE-O 3.15Å; R454-N467 PolarHBondContact NH1-O 3.23Å; R454-N467 PolarHBondContact NH2-O 3.22Å; N467-D469 PolarHBondContact O-N 2.89Å; N467-D469 PolarHBondContact OD1-N 2.84Å; N467-S470 VanDerWaalsContact O-CB 3.31Å; N467-S470 WeakPolarHBondContact O-CB 3.29Å; N467-S470 PolarHBondContact O-N 3.22Å
468	D	93.3	Very high	95.6	Very high	21 Å²	21	11.4 Å²	11.4	11%	0.112	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-26.6	-179.8	-90.2	-10.5	0	0	0	115.9	M64 Y66 R454 R458 S470	M64-D468 PolarHBondContact O-N 3.4Å; Y66-D468 VanDerWaalsContact CE2-OD2 3.27Å; Y66-D468 WeakPolarHBondContact CE2-OD2 3.46Å; R454-D468 WeakPolarHBondContact CD-O 3.49Å; R454-D468 IonicContact CZ-OD1 3.65Å; R454-D468 IonicContact NE-OD1 3.89Å; R454-D468 PolarHBondContact NE-OD1 3.18Å; R454-D468 VanDerWaalsContact NE-OD1 3.12Å; R454-D468 IonicContact NH2-OD1 3.49Å; R458-D468 IonicContact CZ-OD1 3.72Å; R458-D468 IonicContact CZ-OD2 3.55Å; R458-D468 IonicContact NE-OD1 2.82Å; R458-D468 IonicContact NH2-OD1 4Å; R458-D468 PolarHBondContact NH2-OD1 2.76Å; R458-D468 IonicContact NH2-OD2 2.67Å; R458-D468 PolarHBondContact NH2-OD2 2.88Å; D468-S470 VanDerWaalsContact C-N 3.27Å; D468-S470 PolarHBondContact O-N 3.33Å
469	D	95	Very high	95.6	Very high	31 Å²	31	10.7 Å²	10.7	17%	0.166	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	1.1	173.2	-70.2	-41.9	0	0	0	113	I328 L356 Y366 N451 N467 P471	I328-D469 HydrophobicContact CD1-CB 4.46Å; L356-D469 HydrophobicContact CD2-CB 4.27Å; L356-D469 WeakPolarHBondContact CD2-O 3.33Å; Y366-D469 HydrophobicContact CE2-CB 3.88Å; Y366-D469 VanDerWaalsContact CE2-OD2 3.25Å; Y366-D469 WeakPolarHBondContact CE2-OD2 3.24Å; Y366-D469 PolarHBondContact OH-OD2 2.99Å; N451-D469 PolarHBondContact ND2-OD1 2.88Å; N451-D469 VanDerWaalsContact ND2-OD1 3.13Å; N467-D469 PolarHBondContact O-N 2.89Å; N467-D469 PolarHBondContact OD1-N 2.84Å; D469-P471 WeakPolarHBondContact O-CD 3.47Å
470	S	96.9	Very high	95.4	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.049	C	C	.	.			trans	-87.9	119.4	-175.9	-172.1	0	0	0	0	112.9	G326 T450 N467 D468 V472	G326-S470 WeakPolarHBondContact O-CB 3.43Å; G326-S470 PolarHBondContact O-OG 3.19Å; T450-S470 VanDerWaalsContact CG2-C 3.4Å; T450-S470 VanDerWaalsContact CG2-O 3.22Å; T450-S470 WeakPolarHBondContact CG2-O 3.45Å; N467-S470 VanDerWaalsContact O-CB 3.31Å; N467-S470 WeakPolarHBondContact O-CB 3.29Å; N467-S470 PolarHBondContact O-N 3.22Å; D468-S470 VanDerWaalsContact C-N 3.27Å; D468-S470 PolarHBondContact O-N 3.33Å; S470-V472 PolarHBondContact O-N 3.42Å; S470-V472 VanDerWaalsContact O-N 3.16Å
471	P	97.1	Very high	95.2	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	7%	0.071	C	C	.	.	S	Bend	trans	-71.7	-4.7	178.2	30	-36.1	0	0	0	113.6	Y182 A355 L446 T450 D469 C515 V516	Y182-P471 HydrophobicContact CD1-CB 3.83Å; Y182-P471 HydrophobicContact CD1-CG 3.72Å; Y182-P471 HydrophobicContact CE1-CB 3.88Å; Y182-P471 HydrophobicContact CE1-CG 3.68Å; Y182-P471 HydrophobicContact CG-CG 4.5Å; A355-P471 HydrophobicContact CB-CG 4.1Å; L446-P471 HydrophobicContact CD1-CB 3.9Å; T450-P471 HydrophobicContact CG2-CB 4.45Å; D469-P471 WeakPolarHBondContact O-CD 3.47Å; P471-C515 WeakPolarHBondContact O-CA 3.47Å; P471-V516 HydrophobicContact CB-CB 4.36Å; P471-V516 PolarHBondContact O-N 3.34Å
472	V	97.8	Very high	95.2	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	114.2	165.3	178	0	0	0	0	108.1	Y182 I321 R454 S470 P474 R513	Y182-V472 VanDerWaalsContact OH-CG2 3.24Å; Y182-V472 WeakPolarHBondContact OH-CG2 3.23Å; I321-V472 HydrophobicContact CG2-CB 4.48Å; I321-V472 HydrophobicContact CG2-CG2 4.15Å; R454-V472 PolarHBondContact NH1-O 3.44Å; S470-V472 PolarHBondContact O-N 3.42Å; S470-V472 VanDerWaalsContact O-N 3.16Å; V472-P474 HydrophobicContact CG1-CG 4.48Å; V472-R513 HydrophobicContact CG1-CG 3.81Å
473	V	97.6	Very high	95.2	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	94.2	-174.7	-173.7	0	0	0	0	109.6	F453 R454 L457 I464 F514 V516	F453-V473 HydrophobicContact CD1-CB 4.3Å; F453-V473 HydrophobicContact CD1-CG1 4.15Å; F453-V473 HydrophobicContact CD1-CG2 4.21Å; F453-V473 HydrophobicContact CE1-CB 4.28Å; F453-V473 HydrophobicContact CE1-CG1 4.15Å; R454-V473 HydrophobicContact CG-CB 4.36Å; R454-V473 HydrophobicContact CG-CG1 3.91Å; R454-V473 HydrophobicContact CG-CG2 3.5Å; R454-V473 VanDerWaalsContact CG-CG2 3.5Å; L457-V473 HydrophobicContact CD1-CG1 3.91Å; I464-V473 HydrophobicContact CB-CG1 4.5Å; I464-V473 HydrophobicContact CD1-CG1 4.21Å; I464-V473 HydrophobicContact CG2-CG1 4.4Å; V473-F514 HydrophobicContact CB-CB 4.31Å; V473-F514 PolarHBondContact N-O 3.49Å; V473-F514 PolarHBondContact O-N 3.01Å; V473-V516 HydrophobicContact CG2-CG2 4.12Å
474	P	96.8	Very high	95.1	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	114.1	179.9	4.5	15.1	0	0	0	110.1	M324 E325 I464 Y465 V472 R511 A512	M324-P474 WeakPolarHBondContact O-CB 3.43Å; M324-P474 WeakPolarHBondContact O-CG 3.35Å; E325-P474 VanDerWaalsContact O-CG 3.31Å; E325-P474 WeakPolarHBondContact O-CG 3.39Å; I464-P474 VanDerWaalsContact CA-O 3.22Å; I464-P474 WeakPolarHBondContact CA-O 3.3Å; Y465-P474 PolarHBondContact N-O 2.84Å; Y465-P474 WeakPolarHBondContact O-CD 3.3Å; V472-P474 HydrophobicContact CG1-CG 4.48Å; P474-R511 HydrophobicContact CB-CG 4.43Å; P474-A512 WeakPolarHBondContact CA-O 3.21Å
475	L	97.1	Very high	95.2	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	125.3	174.1	-176.8	159.4	0	0	0	109.7	L457 F462 I464 L477 R511 A512 F514 I532	L457-L475 HydrophobicContact CD1-CD1 4.28Å; L457-L475 HydrophobicContact CD2-CD1 4Å; F462-L475 HydrophobicContact CB-CD1 4.02Å; F462-L475 HydrophobicContact CB-CG 4.16Å; F462-L475 HydrophobicContact CD1-CD1 3.82Å; F462-L475 HydrophobicContact CD1-CD2 4.13Å; F462-L475 HydrophobicContact CD1-CG 4.18Å; F462-L475 HydrophobicContact CD2-CD1 4.16Å; F462-L475 HydrophobicContact CE1-CD1 4.31Å; F462-L475 HydrophobicContact CG-CD1 3.74Å; F462-L475 HydrophobicContact CG-CG 4.27Å; I464-L475 HydrophobicContact CG2-CB 4.25Å; I464-L475 HydrophobicContact CG2-CG 4.47Å; L475-L477 HydrophobicContact CD2-CD2 3.83Å; L475-R511 CarbonylContact O-C 3.55Å; L475-R511 WeakPolarHBondContact O-CA 3.45Å; L475-R511 WeakPolarHBondContact O-CB 3.45Å; L475-A512 PolarHBondContact N-O 3.4Å; L475-A512 PolarHBondContact O-N 2.71Å; L475-F514 HydrophobicContact CB-CD2 4.25Å; L475-F514 HydrophobicContact CB-CE2 3.92Å; L475-F514 HydrophobicContact CD1-CE2 4.04Å; L475-I532 HydrophobicContact CD1-CG2 3.69Å
476	M	96.3	Very high	95.4	Very high	1 Å²	1	12 Å²	12	1%	0.005	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	124.1	-169.7	-53.9	-52.4	-68.7	0	0	113	I463 Y465 Y478 E509 R511	I463-M476 HydrophobicContact CB-CB 4.42Å; I463-M476 HydrophobicContact CB-CG 4.37Å; I463-M476 HydrophobicContact CG2-CB 4.37Å; I463-M476 HydrophobicContact CG2-CG 3.83Å; I463-M476 PolarHBondContact O-N 3.03Å; Y465-M476 HydrophobicContact CD1-CG 4.02Å; Y465-M476 HydrophobicContact CD1-SD 4.15Å; Y465-M476 HydrophobicContact CD2-CE 4.03Å; Y465-M476 HydrophobicContact CD2-SD 3.67Å; Y465-M476 HydrophobicContact CE1-CG 3.86Å; Y465-M476 HydrophobicContact CE1-SD 4.24Å; Y465-M476 HydrophobicContact CE2-CE 3.55Å; Y465-M476 HydrophobicContact CE2-CG 4.38Å; Y465-M476 HydrophobicContact CE2-SD 3.75Å; Y465-M476 HydrophobicContact CG-CG 4.36Å; Y465-M476 HydrophobicContact CG-SD 3.88Å; M476-Y478 HydrophobicContact CB-CD1 4.47Å; M476-Y478 HydrophobicContact CB-CD2 4.16Å; M476-Y478 HydrophobicContact CB-CE1 3.84Å; M476-Y478 HydrophobicContact CB-CE2 3.51Å; M476-Y478 WeakPolarHBondContact CB-OH 3.05Å; M476-Y478 HydrophobicContact CE-CE1 4.23Å; M476-Y478 HydrophobicContact CG-CE1 4.4Å; M476-E509 HydrophobicContact CE-CB 3.85Å; M476-E509 HydrophobicContact CE-CG 4.35Å; M476-R511 HydrophobicContact CE-CB 4.25Å; M476-R511 HydrophobicContact SD-CB 3.8Å
477	L	95.9	Very high	95.5	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	8%	0.082	C	C	.	.			trans	-100.8	-31.3	-179.5	-58.3	-179.3	0	0	0	112.6	L475 M479 F486 V499 S510 A512 L541	L475-L477 HydrophobicContact CD2-CD2 3.83Å; L477-M479 VanDerWaalsContact C-N 3.33Å; L477-M479 PolarHBondContact O-N 3.16Å; L477-F486 HydrophobicContact CD1-CB 4.05Å; L477-F486 HydrophobicContact CD1-CD1 4.38Å; L477-F486 HydrophobicContact CD1-CG 4.2Å; L477-F486 HydrophobicContact CD2-CB 4.22Å; L477-F486 HydrophobicContact CD2-CD1 4.35Å; L477-F486 HydrophobicContact CD2-CD2 3.72Å; L477-F486 HydrophobicContact CD2-CE2 4.15Å; L477-F486 HydrophobicContact CD2-CG 3.84Å; L477-V499 HydrophobicContact CD1-CB 4.44Å; L477-V499 HydrophobicContact CD1-CG1 4.08Å; L477-S510 PolarHBondContact N-O 3.08Å; L477-A512 HydrophobicContact CD1-CB 4.2Å; L477-A512 HydrophobicContact CG-CB 4.44Å; L477-L541 HydrophobicContact CD2-CD1 3.61Å; L477-L541 HydrophobicContact CD2-CD2 4.13Å
478	Y	94.1	Very high	95.5	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	10%	0.097	C	C	.	.			trans	61.6	-73.1	-179.6	-53.1	-72.3	0	0	0	115.3	T70 V74 T78 I463 M476 I508 S510 Y543	T70-Y478 HydrophobicContact CG2-CD1 3.6Å; T70-Y478 HydrophobicContact CG2-CE1 3.48Å; T70-Y478 VanDerWaalsContact CG2-CE1 3.48Å; T70-Y478 HydrophobicContact CG2-CG 4.36Å; T70-Y478 VanDerWaalsContact OG1-CE1 3.26Å; T70-Y478 WeakPolarHBondContact OG1-CE1 3.36Å; V74-Y478 HydrophobicContact CG1-CD1 4.37Å; V74-Y478 HydrophobicContact CG1-CD2 3.57Å; V74-Y478 HydrophobicContact CG1-CE2 4.33Å; V74-Y478 HydrophobicContact CG1-CG 3.56Å; T78-Y478 VanDerWaalsContact CG2-O 3.3Å; T78-Y478 WeakPolarHBondContact CG2-O 3.39Å; I463-Y478 WeakPolarHBondContact CD1-OH 3.48Å; M476-Y478 HydrophobicContact CB-CD1 4.47Å; M476-Y478 HydrophobicContact CB-CD2 4.16Å; M476-Y478 HydrophobicContact CB-CE1 3.84Å; M476-Y478 HydrophobicContact CB-CE2 3.51Å; M476-Y478 WeakPolarHBondContact CB-OH 3.05Å; M476-Y478 HydrophobicContact CE-CE1 4.23Å; M476-Y478 HydrophobicContact CG-CE1 4.4Å; Y478-I508 WeakPolarHBondContact CD1-O 3.47Å; Y478-S510 WeakPolarHBondContact CA-OG 3.5Å; Y478-S510 PolarHBondContact N-O 2.78Å; Y478-S510 PolarHBondContact N-OG 3.08Å; Y478-S510 PolarHBondContact O-OG 3.32Å; Y478-Y543 AromaticContact CD2-CD2 3.76Å; Y478-Y543 HydrophobicContact CD2-CD2 3.76Å; Y478-Y543 AromaticContact CD2-CE2 3.44Å; Y478-Y543 HydrophobicContact CD2-CE2 3.44Å; Y478-Y543 VanDerWaalsContact CD2-CE2 3.44Å; Y478-Y543 AromaticContact CE2-CD2 3.6Å; Y478-Y543 HydrophobicContact CE2-CD2 3.6Å; Y478-Y543 AromaticContact CE2-CE2 3.81Å; Y478-Y543 HydrophobicContact CE2-CE2 3.81Å; Y478-Y543 HydrophobicContact CE2-CG 4.36Å
479	M	92.9	Very high	95.7	Very high	44 Å²	44	17.2 Å²	17.2	22%	0.217	10%	0.1	C	C	.	.	S	Bend	trans	-75	134.2	-168.3	-64	176.7	70.6	0	0	112	L77 T78 L477 A481 K482 I483	L77-M479 HydrophobicContact CB-CE 4.07Å; L77-M479 HydrophobicContact CB-SD 4.19Å; T78-M479 WeakPolarHBondContact OG1-CG 3.4Å; L477-M479 VanDerWaalsContact C-N 3.33Å; L477-M479 PolarHBondContact O-N 3.16Å; M479-A481 VanDerWaalsContact C-N 3.27Å; M479-A481 PolarHBondContact O-N 3.34Å; M479-A481 VanDerWaalsContact O-N 3.14Å; M479-K482 HydrophobicContact CB-CD 4.25Å; M479-K482 HydrophobicContact CB-CG 4.12Å; M479-K482 WeakPolarHBondContact O-CB 3.32Å; M479-K482 PolarHBondContact O-N 3.47Å; M479-K482 HydrophobicContact SD-CD 4.42Å; M479-I483 PolarHBondContact O-N 3.09Å
480	P	91.3	Very high	95.9	Very high	11 Å²	11	15.8 Å²	15.8	7%	0.071	9%	0.092	C	C	.	.	H	α-helix	trans	-60.9	-31.6	-172.7	21.3	-32.8	0	0	0	114.4	Y82 L85 K482 I483	Y82-P480 HydrophobicContact CD1-CG 4.39Å; Y82-P480 HydrophobicContact CD2-CB 4.27Å; Y82-P480 HydrophobicContact CD2-CG 3.7Å; Y82-P480 HydrophobicContact CE1-CB 4.09Å; Y82-P480 HydrophobicContact CE1-CG 4.4Å; Y82-P480 HydrophobicContact CE2-CB 3.83Å; Y82-P480 HydrophobicContact CE2-CG 3.74Å; Y82-P480 HydrophobicContact CG-CG 4.06Å; L85-P480 HydrophobicContact CD1-CB 3.77Å; L85-P480 HydrophobicContact CD1-CG 3.64Å; P480-K482 VanDerWaalsContact C-N 3.32Å; P480-K482 PolarHBondContact O-N 2.91Å; P480-I483 HydrophobicContact CB-CD1 4.46Å; P480-I483 WeakPolarHBondContact O-CB 3.34Å; P480-I483 PolarHBondContact O-N 3.07Å
481	A	91.4	Very high	95.9	Very high	79 Å²	79	17.1 Å²	17.1	65%	0.653	10%	0.099	S	C	*	.	H	α-helix	trans	-66.5	-32.1	174.9	0	0	0	0	0	113	M479 A485	M479-A481 VanDerWaalsContact C-N 3.27Å; M479-A481 PolarHBondContact O-N 3.34Å; M479-A481 VanDerWaalsContact O-N 3.14Å; A481-A485 PolarHBondContact O-N 3.32Å
482	K	95.3	Very high	95.8	Very high	31 Å²	31	24.1 Å²	24.1	14%	0.135	13%	0.129	C	C	.	.	H	α-helix	trans	-74.3	-29.2	-179.7	-61.9	-172.7	-177	-169.4	0	112	M479 P480 A485 F486 L539 Q540 L541 Y543	M479-K482 HydrophobicContact CB-CD 4.25Å; M479-K482 HydrophobicContact CB-CG 4.12Å; M479-K482 WeakPolarHBondContact O-CB 3.32Å; M479-K482 PolarHBondContact O-N 3.47Å; M479-K482 HydrophobicContact SD-CD 4.42Å; P480-K482 VanDerWaalsContact C-N 3.32Å; P480-K482 PolarHBondContact O-N 2.91Å; K482-A485 PolarHBondContact O-N 2.73Å; K482-F486 WeakPolarHBondContact O-CB 3.4Å; K482-F486 PolarHBondContact O-N 2.93Å; K482-L539 VanDerWaalsContact CD-O 3.32Å; K482-L539 WeakPolarHBondContact CD-O 3.48Å; K482-L539 WeakPolarHBondContact CE-O 3.49Å; K482-L539 PolarHBondContact NZ-O 2.77Å; K482-Q540 PolarHBondContact NZ-O 3.12Å; K482-L541 HydrophobicContact CB-CD2 4.47Å; K482-L541 HydrophobicContact CD-CD2 3.62Å; K482-L541 HydrophobicContact CD-CG 4.46Å; K482-Y543 PolarHBondContact NZ-OH 3.11Å
483	I	95.2	Very high	95.8	Very high	4 Å²	4	27.7 Å²	27.7	2%	0.021	14%	0.143	C	C	.	.	H	α-helix	trans	-52	-60.9	176.6	-57.5	172.4	0	0	0	111.2	W138 M479 P480 A485 F486 G487 V499 S510	W138-I483 HydrophobicContact CZ2-CG2 4.38Å; M479-I483 PolarHBondContact O-N 3.09Å; P480-I483 HydrophobicContact CB-CD1 4.46Å; P480-I483 WeakPolarHBondContact O-CB 3.34Å; P480-I483 PolarHBondContact O-N 3.07Å; I483-A485 VanDerWaalsContact C-N 3.29Å; I483-A485 PolarHBondContact O-N 3.3Å; I483-F486 PolarHBondContact O-N 2.75Å; I483-G487 PolarHBondContact O-N 3Å; I483-V499 HydrophobicContact CG2-CB 3.93Å; I483-V499 HydrophobicContact CG2-CG2 3.85Å; I483-S510 WeakPolarHBondContact CG1-OG 3.25Å
484	G	94.4	Very high	95.8	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-77	-13.3	-176.8	0	0	0	0	0	114.2	R488	G484-R488 WeakPolarHBondContact O-CD 3.48Å; G484-R488 WeakPolarHBondContact O-CG 3.5Å; G484-R488 PolarHBondContact O-NE 3.34Å; G484-R488 PolarHBondContact O-NH1 3.27Å
485	A	96.6	Very high	95.8	Very high	27 Å²	27	31.5 Å²	31.5	22%	0.223	16%	0.163	C	C	.	.	H	α-helix	trans	-79	-47.2	170.6	0	0	0	0	0	110.8	A481 K482 I483 G487 R488 E489 L539	A481-A485 PolarHBondContact O-N 3.32Å; K482-A485 PolarHBondContact O-N 2.73Å; I483-A485 VanDerWaalsContact C-N 3.29Å; I483-A485 PolarHBondContact O-N 3.3Å; A485-G487 PolarHBondContact O-N 2.75Å; A485-R488 PolarHBondContact O-N 2.97Å; A485-E489 WeakPolarHBondContact O-CG 3.4Å; A485-E489 PolarHBondContact O-N 3.18Å; A485-L539 HydrophobicContact CB-CD1 3.88Å; A485-L539 HydrophobicContact CB-CD2 3.8Å
486	F	98	Very high	95.8	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-58.3	-50	-178.4	-169	-89.1	0	0	0	112	L477 K482 I483 R488 E489 M490 T497 V499 A512 F514 I532 V535 L539 L541	L477-F486 HydrophobicContact CD1-CB 4.05Å; L477-F486 HydrophobicContact CD1-CD1 4.38Å; L477-F486 HydrophobicContact CD1-CG 4.2Å; L477-F486 HydrophobicContact CD2-CB 4.22Å; L477-F486 HydrophobicContact CD2-CD1 4.35Å; L477-F486 HydrophobicContact CD2-CD2 3.72Å; L477-F486 HydrophobicContact CD2-CE2 4.15Å; L477-F486 HydrophobicContact CD2-CG 3.84Å; K482-F486 WeakPolarHBondContact O-CB 3.4Å; K482-F486 PolarHBondContact O-N 2.93Å; I483-F486 PolarHBondContact O-N 2.75Å; F486-R488 VanDerWaalsContact C-N 3.27Å; F486-R488 PolarHBondContact O-N 2.58Å; F486-E489 PolarHBondContact O-N 2.93Å; F486-M490 HydrophobicContact CD1-CG 3.85Å; F486-M490 HydrophobicContact CE1-CG 3.56Å; F486-M490 HydrophobicContact CE1-SD 4.28Å; F486-M490 HydrophobicContact CE2-CG 4.5Å; F486-M490 HydrophobicContact CE2-SD 4.44Å; F486-M490 HydrophobicContact CG-CG 4.44Å; F486-M490 HydrophobicContact CZ-CG 3.92Å; F486-M490 HydrophobicContact CZ-SD 4.02Å; F486-M490 WeakPolarHBondContact O-CG 3.31Å; F486-M490 PolarHBondContact O-N 3.19Å; F486-T497 HydrophobicContact CD1-CG2 4.21Å; F486-T497 HydrophobicContact CE1-CG2 4.18Å; F486-V499 HydrophobicContact CB-CG1 4.44Å; F486-V499 HydrophobicContact CD1-CG1 3.93Å; F486-A512 HydrophobicContact CD1-CB 3.9Å; F486-A512 HydrophobicContact CE1-CB 3.53Å; F486-A512 HydrophobicContact CZ-CB 4.25Å; F486-F514 AromaticContact CE1-CZ 3.75Å; F486-F514 HydrophobicContact CE1-CZ 3.75Å; F486-F514 HydrophobicContact CZ-CE2 4.42Å; F486-F514 AromaticContact CZ-CZ 3.83Å; F486-F514 HydrophobicContact CZ-CZ 3.83Å; F486-I532 HydrophobicContact CZ-CG1 4.4Å; F486-I532 HydrophobicContact CZ-CG2 4.47Å; F486-V535 HydrophobicContact CD2-CG1 3.55Å; F486-V535 HydrophobicContact CE2-CB 4.44Å; F486-V535 HydrophobicContact CE2-CG1 3.87Å; F486-V535 HydrophobicContact CG-CG1 4.28Å; F486-L539 HydrophobicContact CB-CD1 3.94Å; F486-L539 HydrophobicContact CD2-CD1 4.2Å; F486-L541 HydrophobicContact CD2-CD1 3.58Å; F486-L541 HydrophobicContact CE2-CD1 3.93Å
487	G	96.6	Very high	95.7	Very high	10 Å²	10	33 Å²	33	10%	0.103	17%	0.174	C	C	.	.	H	α-helix	trans	-61.7	-32.1	179.1	0	0	0	0	0	113.9	N137 I483 A485 L491	N137-G487 WeakPolarHBondContact OD1-CA 3.32Å; I483-G487 PolarHBondContact O-N 3Å; A485-G487 PolarHBondContact O-N 2.75Å; G487-L491 WeakPolarHBondContact O-CB 3.44Å; G487-L491 PolarHBondContact O-N 3.25Å
488	R	96.3	Very high	95.7	Very high	89 Å²	89	35 Å²	35	34%	0.336	19%	0.186	S	C	.	.	H	α-helix	trans	-74.3	-43.9	174.6	-67	172.1	-172.5	145.7	-2.1	112.1	R133 D136 N137 G484 A485 F486 L491 K492	R133-R488 PolarHBondContact O-NH2 3.05Å; R133-R488 VanDerWaalsContact O-NH2 3.16Å; D136-R488 IonicContact OD1-CZ 2.76Å; D136-R488 IonicContact OD1-NE 3.23Å; D136-R488 IonicContact OD1-NH2 2.75Å; D136-R488 PolarHBondContact OD1-NH2 3.06Å; D136-R488 IonicContact OD2-CZ 3.98Å; D136-R488 IonicContact OD2-NE 3.13Å; D136-R488 PolarHBondContact OD2-NE 3.34Å; D136-R488 IonicContact OD2-NH2 3.74Å; D136-R488 PolarHBondContact OD2-NH2 2.86Å; N137-R488 PolarHBondContact OD1-N 2.9Å; G484-R488 WeakPolarHBondContact O-CD 3.48Å; G484-R488 WeakPolarHBondContact O-CG 3.5Å; G484-R488 PolarHBondContact O-NE 3.34Å; G484-R488 PolarHBondContact O-NH1 3.27Å; A485-R488 PolarHBondContact O-N 2.97Å; F486-R488 VanDerWaalsContact C-N 3.27Å; F486-R488 PolarHBondContact O-N 2.58Å; R488-L491 PolarHBondContact O-N 3.49Å; R488-K492 WeakPolarHBondContact O-CG 3.49Å; R488-K492 PolarHBondContact O-N 2.99Å
489	E	97.9	Very high	95.8	Very high	35 Å²	35	35 Å²	35	16%	0.164	19%	0.187	C	C	.	.	H	α-helix	trans	-71.8	-32.5	-178.1	-72.3	-55	133.9	0	0	113.8	A485 F486 K492 R493 V535 L538	A485-E489 WeakPolarHBondContact O-CG 3.4Å; A485-E489 PolarHBondContact O-N 3.18Å; F486-E489 PolarHBondContact O-N 2.93Å; E489-K492 WeakPolarHBondContact OE1-CE 3.31Å; E489-K492 IonicContact OE1-NZ 3.46Å; E489-K492 PolarHBondContact OE1-NZ 2.91Å; E489-K492 IonicContact OE2-NZ 3.54Å; E489-R493 PolarHBondContact O-NH1 2.9Å; E489-R493 IonicContact OE2-NH1 3.54Å; E489-R493 PolarHBondContact OE2-NH1 2.99Å; E489-V535 HydrophobicContact CB-CB 4.43Å; E489-V535 HydrophobicContact CB-CG1 3.78Å; E489-V535 HydrophobicContact CB-CG2 3.69Å; E489-L538 HydrophobicContact CG-CD2 4.1Å
490	M	98.1	Very high	95.8	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-68.7	-41.2	170.3	-65.6	-52.7	-56.3	0	0	111.4	F486 K492 R493 N494 I495 T497 A531 I532 V535	F486-M490 HydrophobicContact CD1-CG 3.85Å; F486-M490 HydrophobicContact CE1-CG 3.56Å; F486-M490 HydrophobicContact CE1-SD 4.28Å; F486-M490 HydrophobicContact CE2-CG 4.5Å; F486-M490 HydrophobicContact CE2-SD 4.44Å; F486-M490 HydrophobicContact CG-CG 4.44Å; F486-M490 HydrophobicContact CZ-CG 3.92Å; F486-M490 HydrophobicContact CZ-SD 4.02Å; F486-M490 WeakPolarHBondContact O-CG 3.31Å; F486-M490 PolarHBondContact O-N 3.19Å; M490-K492 PolarHBondContact O-N 2.73Å; M490-R493 CarbonylContact O-C 3.48Å; M490-R493 WeakPolarHBondContact O-CA 3.38Å; M490-R493 WeakPolarHBondContact O-CB 3.48Å; M490-R493 PolarHBondContact O-N 3.5Å; M490-N494 PolarHBondContact O-N 2.93Å; M490-I495 CarbonylContact C-O 3.57Å; M490-I495 VanDerWaalsContact C-O 3.3Å; M490-I495 HydrophobicContact CB-CB 4.47Å; M490-I495 HydrophobicContact CE-CB 3.89Å; M490-I495 HydrophobicContact CE-CD1 3.67Å; M490-I495 HydrophobicContact CE-CG1 4.39Å; M490-I495 HydrophobicContact CE-CG2 3.67Å; M490-I495 PolarHBondContact O-N 3.46Å; M490-T497 HydrophobicContact CB-CG2 3.75Å; M490-T497 HydrophobicContact CG-CG2 3.91Å; M490-A531 HydrophobicContact CE-CB 3.72Å; M490-A531 HydrophobicContact SD-CB 4.47Å; M490-I532 HydrophobicContact CE-CG1 3.61Å; M490-I532 HydrophobicContact SD-CG1 4.05Å; M490-V535 HydrophobicContact SD-CB 4.02Å; M490-V535 HydrophobicContact SD-CG1 4.36Å; M490-V535 HydrophobicContact SD-CG2 3.85Å
491	L	96.4	Very high	95.8	Very high	29 Å²	29	33.7 Å²	33.7	15%	0.152	18%	0.183	C	C	.	.	H	α-helix	trans	-67.7	-33.9	178.6	-179.2	60.4	0	0	0	112.8	R140 L152 V174 G487 R488 R493 N494 I495	R140-L491 VanDerWaalsContact NH1-CD2 3.26Å; L152-L491 HydrophobicContact CD1-CD1 3.76Å; V174-L491 HydrophobicContact CG1-CD1 4.26Å; G487-L491 WeakPolarHBondContact O-CB 3.44Å; G487-L491 PolarHBondContact O-N 3.25Å; R488-L491 PolarHBondContact O-N 3.49Å; L491-R493 PolarHBondContact O-N 2.77Å; L491-R493 VanDerWaalsContact O-N 3.17Å; L491-N494 PolarHBondContact O-N 2.82Å; L491-I495 PolarHBondContact N-O 3.43Å
492	K	96.6	Very high	95.7	Very high	147 Å²	147	32.5 Å²	32.5	64%	0.639	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-23.6	169.9	-76.7	176.4	179	178.5	0	113.4	R488 E489 M490	R488-K492 WeakPolarHBondContact O-CG 3.49Å; R488-K492 PolarHBondContact O-N 2.99Å; E489-K492 WeakPolarHBondContact OE1-CE 3.31Å; E489-K492 IonicContact OE1-NZ 3.46Å; E489-K492 PolarHBondContact OE1-NZ 2.91Å; E489-K492 IonicContact OE2-NZ 3.54Å; M490-K492 PolarHBondContact O-N 2.73Å
493	R	97.4	Very high	95.2	Very high	74 Å²	74	35.6 Å²	35.6	28%	0.279	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	20.8	177.4	-63	169.6	174.2	71.9	0.6	111.8	E489 M490 L491 I495 A531 E534	E489-R493 PolarHBondContact O-NH1 2.9Å; E489-R493 IonicContact OE2-NH1 3.54Å; E489-R493 PolarHBondContact OE2-NH1 2.99Å; M490-R493 CarbonylContact O-C 3.48Å; M490-R493 WeakPolarHBondContact O-CA 3.38Å; M490-R493 WeakPolarHBondContact O-CB 3.48Å; M490-R493 PolarHBondContact O-N 3.5Å; L491-R493 PolarHBondContact O-N 2.77Å; L491-R493 VanDerWaalsContact O-N 3.17Å; R493-I495 VanDerWaalsContact C-N 3.28Å; R493-I495 HydrophobicContact CB-CD1 4.26Å; R493-I495 PolarHBondContact O-N 2.92Å; R493-A531 HydrophobicContact CB-CB 4.21Å; R493-E534 IonicContact CZ-OE2 3.89Å; R493-E534 IonicContact NE-OE2 3.86Å; R493-E534 PolarHBondContact NE-OE2 2.9Å; R493-E534 IonicContact NH2-OE2 3.52Å; R493-E534 PolarHBondContact NH2-OE2 3.32Å
494	N	96.9	Very high	94.7	Very high	80 Å²	80	38.9 Å²	38.9	43%	0.428	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	36.8	-177.3	-63.5	-24.8	0	0	0	114.4	V174 I175 M490 L491	V174-N494 CarbonylContact C-O 3.3Å; V174-N494 VanDerWaalsContact CA-O 3.3Å; V174-N494 WeakPolarHBondContact CA-O 3.26Å; V174-N494 WeakPolarHBondContact CG1-O 3.4Å; I175-N494 PolarHBondContact N-O 3.2Å; M490-N494 PolarHBondContact O-N 2.93Å; L491-N494 PolarHBondContact O-N 2.82Å
495	I	97.9	Very high	94.3	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	119.9	175.8	-65.5	148.7	0	0	0	110.6	I175 M177 M490 L491 R493 A528 A531	I175-I495 HydrophobicContact CB-CG1 4.17Å; I175-I495 HydrophobicContact CD1-CG1 4.32Å; M177-I495 HydrophobicContact CG-CG2 4.03Å; M490-I495 CarbonylContact C-O 3.57Å; M490-I495 VanDerWaalsContact C-O 3.3Å; M490-I495 HydrophobicContact CB-CB 4.47Å; M490-I495 HydrophobicContact CE-CB 3.89Å; M490-I495 HydrophobicContact CE-CD1 3.67Å; M490-I495 HydrophobicContact CE-CG1 4.39Å; M490-I495 HydrophobicContact CE-CG2 3.67Å; M490-I495 PolarHBondContact O-N 3.46Å; L491-I495 PolarHBondContact N-O 3.43Å; R493-I495 VanDerWaalsContact C-N 3.28Å; R493-I495 HydrophobicContact CB-CD1 4.26Å; R493-I495 PolarHBondContact O-N 2.92Å; I495-A528 HydrophobicContact CD1-CB 4.46Å; I495-A531 HydrophobicContact CD1-CB 3.29Å
496	G	96.2	Very high	94	Very high	10 Å²	10	41 Å²	41	10%	0.103	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	116	176.3	0	0	0	0	0	111.3	I175 M177	I175-G496 PolarHBondContact O-N 3.31Å; M177-G496 CarbonylContact C-O 3.57Å; M177-G496 WeakPolarHBondContact CA-O 3.1Å; M177-G496 PolarHBondContact N-O 3.28Å
497	T	95.1	Very high	93.6	Very high	21 Å²	21	43.4 Å²	43.4	13%	0.129	24%	0.238	C	C	.	.			trans	-127.3	148.2	178.9	-178.4	0	0	0	0	111.3	F486 M490 V499 F514	F486-T497 HydrophobicContact CD1-CG2 4.21Å; F486-T497 HydrophobicContact CE1-CG2 4.18Å; M490-T497 HydrophobicContact CB-CG2 3.75Å; M490-T497 HydrophobicContact CG-CG2 3.91Å; T497-V499 HydrophobicContact CG2-CG1 4.4Å; T497-F514 VanDerWaalsContact OG1-CE1 3.24Å; T497-F514 WeakPolarHBondContact OG1-CE1 3.19Å
498	V	94.6	Very high	93.3	Very high	42 Å²	42	44.8 Å²	44.8	26%	0.255	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	102.4	174.8	-178.9	0	0	0	0	109.4	V500 R513	V498-V500 HydrophobicContact CG1-CG2 4.02Å; V498-R513 PolarHBondContact O-N 2.96Å
499	V	96.1	Very high	93.1	Very high	2 Å²	2	43 Å²	43	1%	0.012	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	140.2	170.9	-61.1	0	0	0	0	110.7	N137 W138 L477 I483 F486 T497 A512	N137-V499 HydrophobicContact CB-CG2 4.04Å; W138-V499 HydrophobicContact CZ2-CG2 4.07Å; W138-V499 PolarHBondContact NE1-O 2.88Å; L477-V499 HydrophobicContact CD1-CB 4.44Å; L477-V499 HydrophobicContact CD1-CG1 4.08Å; I483-V499 HydrophobicContact CG2-CB 3.93Å; I483-V499 HydrophobicContact CG2-CG2 3.85Å; F486-V499 HydrophobicContact CB-CG1 4.44Å; F486-V499 HydrophobicContact CD1-CG1 3.93Å; T497-V499 HydrophobicContact CG2-CG1 4.4Å; V499-A512 HydrophobicContact CG1-CB 4.39Å
500	V	93.7	Very high	92.9	Very high	15 Å²	15	41.3 Å²	41.3	9%	0.091	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	144.8	-174.4	-171.8	0	0	0	0	109.3	V498 A504 T505 S510 R511 R513	V498-V500 HydrophobicContact CG1-CG2 4.02Å; V500-A504 HydrophobicContact CG1-CB 3.98Å; V500-T505 HydrophobicContact CG1-CG2 3.89Å; V500-S510 CarbonylContact O-C 3.56Å; V500-S510 VanDerWaalsContact O-CA 3.29Å; V500-S510 WeakPolarHBondContact O-CA 3.47Å; V500-S510 WeakPolarHBondContact O-CB 3.33Å; V500-R511 HydrophobicContact CB-CG 4.38Å; V500-R511 PolarHBondContact N-O 2.84Å; V500-R511 PolarHBondContact O-N 2.75Å; V500-R513 HydrophobicContact CG2-CB 4.49Å
501	G	90.6	Very high	92.8	Very high	11 Å²	11	41.3 Å²	41.3	11%	0.113	23%	0.23	C	C	.	.			trans	-157.2	-170.1	176	0	0	0	0	0	111.5	A504 T505	G501-A504 WeakPolarHBondContact O-CA 3.42Å; G501-A504 WeakPolarHBondContact O-CB 3.36Å; G501-A504 PolarHBondContact O-N 3.47Å; G501-T505 WeakPolarHBondContact CA-OG1 3.43Å; G501-T505 PolarHBondContact O-N 3.28Å; G501-T505 PolarHBondContact O-OG1 3.22Å
502	F	88.9	Confident	92.8	Very high	55 Å²	55	40 Å²	40	24%	0.241	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	141.4	173	-175.6	-92.1	0	0	0	111.7	Y82 F122 Y126 T505 I507	Y82-F502 HydrophobicContact CE1-CB 4.28Å; F122-F502 AromaticContact CE1-CE1 3.77Å; F122-F502 HydrophobicContact CE1-CE1 3.77Å; F122-F502 AromaticContact CE1-CZ 3.91Å; F122-F502 HydrophobicContact CE1-CZ 3.91Å; F122-F502 AromaticContact CZ-CE1 3.9Å; F122-F502 HydrophobicContact CZ-CE1 3.9Å; F122-F502 HydrophobicContact CZ-CZ 4.2Å; Y126-F502 HydrophobicContact CD2-CD1 4.23Å; Y126-F502 HydrophobicContact CD2-CE1 4.21Å; Y126-F502 AromaticContact CE2-CD1 3.68Å; Y126-F502 HydrophobicContact CE2-CD1 3.68Å; Y126-F502 HydrophobicContact CE2-CE1 4.12Å; Y126-F502 AromaticContact CZ-CD1 3.85Å; Y126-F502 PolarHBondContact OH-O 2.94Å; F502-T505 VanDerWaalsContact CA-O 3.29Å; F502-T505 WeakPolarHBondContact CA-O 3.29Å; F502-I507 HydrophobicContact CB-CG1 4.4Å; F502-I507 HydrophobicContact CD2-CD1 4.43Å; F502-I507 HydrophobicContact CD2-CG1 3.66Å; F502-I507 HydrophobicContact CE2-CD1 4.48Å; F502-I507 HydrophobicContact CE2-CG1 4.17Å; F502-I507 HydrophobicContact CG-CG1 4.08Å
503	P	85.3	Confident	92.9	Very high	96 Å²	96	34 Å²	34	62%	0.623	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	cis	-83.5	-1	1.2	35.1	-37.5	0	0	0	115.3	T505	P503-T505 VanDerWaalsContact C-N 3.31Å; P503-T505 PolarHBondContact O-N 3.04Å
504	A	84.6	Confident	92.9	Very high	73 Å²	73	30.4 Å²	30.4	60%	0.603	18%	0.183	S	C	*	.	S	Bend	trans	-74.4	-18.4	-177.6	0	0	0	0	0	114	V500 G501	V500-A504 HydrophobicContact CG1-CB 3.98Å; G501-A504 WeakPolarHBondContact O-CA 3.42Å; G501-A504 WeakPolarHBondContact O-CB 3.36Å; G501-A504 PolarHBondContact O-N 3.47Å
505	T	86.8	Confident	92.9	Very high	7 Å²	7	26.7 Å²	26.7	4%	0.043	16%	0.163	C	C	.	.	S	Bend	trans	-136.8	161.1	171.4	44.8	0	0	0	0	110	V500 G501 F502 P503	V500-T505 HydrophobicContact CG1-CG2 3.89Å; G501-T505 WeakPolarHBondContact CA-OG1 3.43Å; G501-T505 PolarHBondContact O-N 3.28Å; G501-T505 PolarHBondContact O-OG1 3.22Å; F502-T505 VanDerWaalsContact CA-O 3.29Å; F502-T505 WeakPolarHBondContact CA-O 3.29Å; P503-T505 VanDerWaalsContact C-N 3.31Å; P503-T505 PolarHBondContact O-N 3.04Å
506	P	89.6	Confident	92.9	Very high	65 Å²	65	26.6 Å²	26.6	42%	0.422	16%	0.163	S	C	.	.			trans	-54.7	152.1	172.7	-27.1	36.2	0	0	0	113.2	I508 E509	P506-I508 PolarHBondContact O-N 3.22Å; P506-I508 VanDerWaalsContact O-N 3.12Å; P506-E509 HydrophobicContact CB-CB 4.15Å; P506-E509 HydrophobicContact CB-CG 4.04Å; P506-E509 WeakPolarHBondContact CD-OE2 3.45Å; P506-E509 HydrophobicContact CG-CB 4.45Å; P506-E509 HydrophobicContact CG-CG 4.38Å; P506-E509 WeakPolarHBondContact CG-OE2 3.34Å; P506-E509 PolarHBondContact O-N 3.31Å
507	I	89.1	Confident	93	Very high	49 Å²	49	26.5 Å²	26.5	25%	0.251	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-38.1	-175.2	-74	173.6	0	0	0	113	T78 Y79 Y82 F502 E509	T78-I507 HydrophobicContact CG2-CG2 4.35Å; T78-I507 VanDerWaalsContact CG2-O 3.23Å; T78-I507 WeakPolarHBondContact CG2-O 3.17Å; Y79-I507 HydrophobicContact CD1-CG2 3.8Å; Y79-I507 HydrophobicContact CE1-CB 4.22Å; Y79-I507 HydrophobicContact CE1-CD1 4.43Å; Y79-I507 HydrophobicContact CE1-CG2 3.66Å; Y82-I507 HydrophobicContact CD2-CG2 3.63Å; Y82-I507 HydrophobicContact CE2-CG2 3.94Å; Y82-I507 HydrophobicContact CG-CG2 4.29Å; F502-I507 HydrophobicContact CB-CG1 4.4Å; F502-I507 HydrophobicContact CD2-CD1 4.43Å; F502-I507 HydrophobicContact CD2-CG1 3.66Å; F502-I507 HydrophobicContact CE2-CD1 4.48Å; F502-I507 HydrophobicContact CE2-CG1 4.17Å; F502-I507 HydrophobicContact CG-CG1 4.08Å; I507-E509 VanDerWaalsContact C-N 3.34Å
508	I	91	Very high	93.1	Very high	40 Å²	40	26 Å²	26	21%	0.205	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	20.3	-179.6	63.5	172.8	0	0	0	113.3	T70 A75 T78 Y79 Y478 P506	T70-I508 PolarHBondContact OG1-O 3.15Å; A75-I508 HydrophobicContact CB-CG2 4.38Å; T78-I508 HydrophobicContact CG2-CG2 4.43Å; Y79-I508 HydrophobicContact CD2-CG2 3.97Å; Y79-I508 HydrophobicContact CE1-CG2 4.38Å; Y79-I508 HydrophobicContact CE2-CG2 3.41Å; Y79-I508 VanDerWaalsContact CE2-CG2 3.41Å; Y478-I508 WeakPolarHBondContact CD1-O 3.47Å; P506-I508 PolarHBondContact O-N 3.22Å; P506-I508 VanDerWaalsContact O-N 3.12Å
509	E	91.4	Very high	93.2	Very high	50 Å²	50	25.4 Å²	25.4	23%	0.234	16%	0.158	C	C	.	.			trans	-138.8	25.1	-173.4	-61.8	-178.5	-160	0	0	113.8	M476 P506 I507 R511	M476-E509 HydrophobicContact CE-CB 3.85Å; M476-E509 HydrophobicContact CE-CG 4.35Å; P506-E509 HydrophobicContact CB-CB 4.15Å; P506-E509 HydrophobicContact CB-CG 4.04Å; P506-E509 WeakPolarHBondContact CD-OE2 3.45Å; P506-E509 HydrophobicContact CG-CB 4.45Å; P506-E509 HydrophobicContact CG-CG 4.38Å; P506-E509 WeakPolarHBondContact CG-OE2 3.34Å; P506-E509 PolarHBondContact O-N 3.31Å; I507-E509 VanDerWaalsContact C-N 3.34Å; E509-R511 PolarHBondContact O-NE 2.96Å; E509-R511 IonicContact OE2-NH2 2.71Å; E509-R511 PolarHBondContact OE2-NH2 2.96Å
510	S	94.6	Very high	93.3	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	16%	0.158	C	C	.	.			trans	-63.5	142.2	169.3	77.7	0	0	0	0	111.1	L477 Y478 I483 V500	L477-S510 PolarHBondContact N-O 3.08Å; Y478-S510 WeakPolarHBondContact CA-OG 3.5Å; Y478-S510 PolarHBondContact N-O 2.78Å; Y478-S510 PolarHBondContact N-OG 3.08Å; Y478-S510 PolarHBondContact O-OG 3.32Å; I483-S510 WeakPolarHBondContact CG1-OG 3.25Å; V500-S510 CarbonylContact O-C 3.56Å; V500-S510 VanDerWaalsContact O-CA 3.29Å; V500-S510 WeakPolarHBondContact O-CA 3.47Å; V500-S510 WeakPolarHBondContact O-CB 3.33Å
511	R	96.2	Very high	93.5	Very high	1 Å²	1	27.4 Å²	27.4	0%	0.004	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	151.4	-161.6	59.2	-172.1	91.6	157	4.5	112.7	M324 E325 P474 L475 M476 V500 E509	M324-R511 PolarHBondContact O-NH1 2.88Å; E325-R511 IonicContact OE1-CZ 3.32Å; E325-R511 IonicContact OE1-NH1 3.72Å; E325-R511 PolarHBondContact OE1-NH1 2.85Å; E325-R511 IonicContact OE1-NH2 3.63Å; E325-R511 PolarHBondContact OE1-NH2 3.3Å; P474-R511 HydrophobicContact CB-CG 4.43Å; L475-R511 CarbonylContact O-C 3.55Å; L475-R511 WeakPolarHBondContact O-CA 3.45Å; L475-R511 WeakPolarHBondContact O-CB 3.45Å; M476-R511 HydrophobicContact CE-CB 4.25Å; M476-R511 HydrophobicContact SD-CB 3.8Å; V500-R511 HydrophobicContact CB-CG 4.38Å; V500-R511 PolarHBondContact N-O 2.84Å; V500-R511 PolarHBondContact O-N 2.75Å; E509-R511 PolarHBondContact O-NE 2.96Å; E509-R511 IonicContact OE2-NH2 2.71Å; E509-R511 PolarHBondContact OE2-NH2 2.96Å
512	A	97.3	Very high	93.8	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	116.7	161.8	0	0	0	0	0	107.8	P474 L475 L477 F486 V499 F514	P474-A512 WeakPolarHBondContact CA-O 3.21Å; L475-A512 PolarHBondContact N-O 3.4Å; L475-A512 PolarHBondContact O-N 2.71Å; L477-A512 HydrophobicContact CD1-CB 4.2Å; L477-A512 HydrophobicContact CG-CB 4.44Å; F486-A512 HydrophobicContact CD1-CB 3.9Å; F486-A512 HydrophobicContact CE1-CB 3.53Å; F486-A512 HydrophobicContact CZ-CB 4.25Å; V499-A512 HydrophobicContact CG1-CB 4.39Å; A512-F514 HydrophobicContact CB-CE2 3.93Å; A512-F514 HydrophobicContact CB-CZ 4.07Å; A512-F514 PolarHBondContact O-N 3.38Å
513	R	96.9	Very high	94.3	Very high	21 Å²	21	33.6 Å²	33.6	8%	0.079	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	98.4	177.2	-171.3	-167.5	65.8	-122.5	-4.6	109	Y180 S323 M324 V472 V498 V500	Y180-R513 PolarHBondContact OH-NH2 3.18Å; Y180-R513 VanDerWaalsContact OH-NH2 3.09Å; S323-R513 WeakPolarHBondContact O-CD 3.44Å; M324-R513 PolarHBondContact SD-NH1 2.87Å; V472-R513 HydrophobicContact CG1-CG 3.81Å; V498-R513 PolarHBondContact O-N 2.96Å; V500-R513 HydrophobicContact CG2-CB 4.49Å
514	F	97.9	Very high	94.9	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	147	169.9	-59.4	-71.2	0	0	0	110.4	M177 F453 V473 L475 F486 T497 A512 I532	M177-F514 HydrophobicContact CB-CD1 3.74Å; M177-F514 HydrophobicContact CB-CE1 4.39Å; M177-F514 CarbonylContact O-C 3.52Å; M177-F514 VanDerWaalsContact O-CA 3.29Å; M177-F514 WeakPolarHBondContact O-CA 3.41Å; F453-F514 HydrophobicContact CE1-CB 3.77Å; F453-F514 HydrophobicContact CE1-CD2 4.06Å; F453-F514 AromaticContact CE1-CG 3.97Å; F453-F514 HydrophobicContact CE1-CG 3.97Å; F453-F514 HydrophobicContact CZ-CB 4.2Å; F453-F514 HydrophobicContact CZ-CD1 4.4Å; F453-F514 HydrophobicContact CZ-CD2 4.14Å; F453-F514 AromaticContact CZ-CG 4Å; F453-F514 HydrophobicContact CZ-CG 4Å; V473-F514 HydrophobicContact CB-CB 4.31Å; V473-F514 PolarHBondContact N-O 3.49Å; V473-F514 PolarHBondContact O-N 3.01Å; L475-F514 HydrophobicContact CB-CD2 4.25Å; L475-F514 HydrophobicContact CB-CE2 3.92Å; L475-F514 HydrophobicContact CD1-CE2 4.04Å; F486-F514 AromaticContact CE1-CZ 3.75Å; F486-F514 HydrophobicContact CE1-CZ 3.75Å; F486-F514 HydrophobicContact CZ-CE2 4.42Å; F486-F514 AromaticContact CZ-CZ 3.83Å; F486-F514 HydrophobicContact CZ-CZ 3.83Å; T497-F514 VanDerWaalsContact OG1-CE1 3.24Å; T497-F514 WeakPolarHBondContact OG1-CE1 3.19Å; A512-F514 HydrophobicContact CB-CE2 3.93Å; A512-F514 HydrophobicContact CB-CZ 4.07Å; A512-F514 PolarHBondContact O-N 3.38Å; F514-I532 HydrophobicContact CE1-CD1 3.83Å; F514-I532 HydrophobicContact CE1-CG1 4.36Å; F514-I532 HydrophobicContact CE2-CD1 3.81Å; F514-I532 HydrophobicContact CE2-CG1 4.41Å; F514-I532 HydrophobicContact CZ-CD1 3.4Å; F514-I532 VanDerWaalsContact CZ-CD1 3.4Å; F514-I532 HydrophobicContact CZ-CG1 3.76Å
515	C	97.2	Very high	95.6	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.007	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	116.1	176.2	-59	0	0	0	0	107.5	M177 S179 Y180 Y182 P471	M177-C515 PolarHBondContact O-N 3.43Å; S179-C515 WeakPolarHBondContact O-CB 3.48Å; Y180-C515 HydrophobicContact CD1-CB 4.33Å; Y180-C515 VanDerWaalsContact CE1-SG 3.57Å; Y182-C515 HydrophobicContact CE1-CB 4.46Å; P471-C515 WeakPolarHBondContact O-CA 3.47Å
516	V	98	Very high	96.1	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.153	C	C	.	.			trans	-87.5	147.3	-176.3	-176.2	0	0	0	0	110.2	Y182 L446 N449 F453 P471 V473	Y182-V516 WeakPolarHBondContact CD1-O 3.28Å; L446-V516 WeakPolarHBondContact CD1-O 3.37Å; N449-V516 HydrophobicContact CB-CG1 3.58Å; F453-V516 HydrophobicContact CB-CG2 4.28Å; F453-V516 HydrophobicContact CD1-CG2 3.84Å; F453-V516 HydrophobicContact CG-CG2 4.24Å; P471-V516 HydrophobicContact CB-CB 4.36Å; P471-V516 PolarHBondContact O-N 3.34Å; V473-V516 HydrophobicContact CG2-CG2 4.12Å
517	S	98.1	Very high	96.6	Very high	7 Å²	7	29.3 Å²	29.3	5%	0.049	15%	0.153	C	C	.	.			trans	-126.6	153.5	-179.6	-174.7	0	0	0	0	111.9	N181 Y182 N449 A519 H520	N181-S517 WeakPolarHBondContact O-CB 3.31Å; N181-S517 PolarHBondContact O-OG 3.5Å; Y182-S517 CarbonylContact O-C 3.44Å; Y182-S517 WeakPolarHBondContact O-CA 3.05Å; Y182-S517 PolarHBondContact O-OG 3.19Å; N449-S517 PolarHBondContact ND2-O 3.22Å; S517-A519 PolarHBondContact O-N 2.98Å; S517-A519 PolarHBondContact OG-N 2.91Å; S517-A519 VanDerWaalsContact OG-N 3.11Å; S517-H520 PolarHBondContact N-CE1 3.44Å; S517-H520 PolarHBondContact N-ND1 2.98Å; S517-H520 PolarHBondContact O-N 3.15Å
518	A	97.9	Very high	97	Very high	12 Å²	12	27 Å²	27	10%	0.099	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-31.2	162.9	0	0	0	0	0	112.3	Y182 R442 Q445 L446 H520	Y182-A518 PolarHBondContact O-N 2.97Å; R442-A518 HydrophobicContact CB-CB 3.9Å; R442-A518 HydrophobicContact CG-CB 4.2Å; R442-A518 WeakPolarHBondContact O-CB 3.49Å; Q445-A518 HydrophobicContact CB-CB 4.43Å; Q445-A518 VanDerWaalsContact CG-O 3.23Å; Q445-A518 WeakPolarHBondContact CG-O 3.44Å; L446-A518 HydrophobicContact CB-CB 4.19Å; A518-H520 VanDerWaalsContact C-N 3.3Å; A518-H520 PolarHBondContact O-N 3.29Å
519	A	96.6	Very high	97.4	Very high	28 Å²	28	25.1 Å²	25.1	23%	0.231	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-3.4	-178.3	0	0	0	0	0	114	A148 S517	A148-A519 HydrophobicContact CB-CB 3.85Å; A148-A519 WeakPolarHBondContact CB-O 3.26Å; S517-A519 PolarHBondContact O-N 2.98Å; S517-A519 PolarHBondContact OG-N 2.91Å; S517-A519 VanDerWaalsContact OG-N 3.11Å
520	H	98.2	Very high	97.7	Very high	3 Å²	3	29 Å²	29	1%	0.014	15%	0.15	C	C	.	.			trans	-77.8	123.3	170	-63.2	139	0	0	0	109.8	N176 M177 N449 S517 A518 L525	N176-H520 PolarHBondContact O-CE1 2.73Å; N176-H520 PolarHBondContact O-NE2 3.31Å; M177-H520 VanDerWaalsContact SD-CE1 3.59Å; N449-H520 PolarHBondContact ND2-O 3.45Å; S517-H520 PolarHBondContact N-CE1 3.44Å; S517-H520 PolarHBondContact N-ND1 2.98Å; S517-H520 PolarHBondContact O-N 3.15Å; A518-H520 VanDerWaalsContact C-N 3.3Å; A518-H520 PolarHBondContact O-N 3.29Å; H520-L525 HydrophobicContact CB-CD1 4.32Å; H520-L525 HydrophobicContact CB-CD2 3.88Å; H520-L525 HydrophobicContact CB-CG 3.94Å
521	T	98	Very high	97.9	Very high	57 Å²	57	29.3 Å²	29.3	35%	0.35	15%	0.153	S	C	.	.			trans	-76.3	167.3	170.4	78	0	0	0	0	110.7	E523 M524 L525	T521-E523 VanDerWaalsContact C-N 3.27Å; T521-E523 WeakPolarHBondContact CB-OE2 3.28Å; T521-E523 PolarHBondContact O-N 2.97Å; T521-E523 PolarHBondContact OG1-OE2 3.06Å; T521-M524 HydrophobicContact CG2-CE 4.16Å; T521-M524 PolarHBondContact O-N 3.32Å; T521-M524 PolarHBondContact OG1-N 3.03Å; T521-L525 PolarHBondContact O-N 3.43Å
522	R	97.4	Very high	98	Very high	72 Å²	72	29.3 Å²	29.3	27%	0.272	15%	0.152	S	C	.	.	H	α-helix	trans	-59.8	-41.7	178.9	-176.2	62.9	65.7	-114.5	-5.7	110.9	N449 M524 L525 D526	N449-R522 PolarHBondContact OD1-NH1 3.28Å; R522-M524 PolarHBondContact O-N 3.27Å; R522-L525 WeakPolarHBondContact O-CB 3.46Å; R522-L525 PolarHBondContact O-N 3.47Å; R522-L525 VanDerWaalsContact O-N 3.14Å; R522-D526 WeakPolarHBondContact CG-OD2 3.17Å; R522-D526 PolarHBondContact O-N 3.21Å
523	E	98.3	Very high	98.1	Very high	124 Å²	124	30.6 Å²	30.6	58%	0.579	16%	0.161	S	C	*	.	H	α-helix	trans	-66.4	-36.9	-178.9	-49.1	69	-143.7	0	0	111.9	T521 D526 T527	T521-E523 VanDerWaalsContact C-N 3.27Å; T521-E523 WeakPolarHBondContact CB-OE2 3.28Å; T521-E523 PolarHBondContact O-N 2.97Å; T521-E523 PolarHBondContact OG1-OE2 3.06Å; E523-D526 PolarHBondContact O-N 3.22Å; E523-T527 WeakPolarHBondContact O-CB 3.48Å; E523-T527 PolarHBondContact O-N 3.44Å; E523-T527 PolarHBondContact O-OG1 3.31Å
524	M	98.4	Very high	98.1	Very high	37 Å²	37	34.6 Å²	34.6	18%	0.182	18%	0.181	C	C	.	.	H	α-helix	trans	-64.6	-40.3	172.4	-67.4	-174.2	-166.6	0	0	111.7	A148 K149 I175 T521 R522 A528	A148-M524 HydrophobicContact CB-SD 4.15Å; K149-M524 HydrophobicContact CD-CE 4.49Å; I175-M524 HydrophobicContact CG2-CB 4.39Å; T521-M524 HydrophobicContact CG2-CE 4.16Å; T521-M524 PolarHBondContact O-N 3.32Å; T521-M524 PolarHBondContact OG1-N 3.03Å; R522-M524 PolarHBondContact O-N 3.27Å; M524-A528 WeakPolarHBondContact O-CB 3.27Å; M524-A528 PolarHBondContact O-N 2.92Å
525	L	98.6	Very high	98.1	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-69.8	-39.4	177.6	-66	173.1	0	0	0	111.5	M177 N449 Y452 F453 H520 T521 R522 A528 L529	M177-L525 HydrophobicContact CE-CD2 3.74Å; M177-L525 HydrophobicContact SD-CD2 4.28Å; N449-L525 HydrophobicContact CB-CD1 3.69Å; N449-L525 VanDerWaalsContact CG-CD1 3.47Å; N449-L525 WeakPolarHBondContact OD1-CD1 3.29Å; Y452-L525 HydrophobicContact CD1-CD1 4.48Å; F453-L525 HydrophobicContact CD2-CD2 4.08Å; H520-L525 HydrophobicContact CB-CD1 4.32Å; H520-L525 HydrophobicContact CB-CD2 3.88Å; H520-L525 HydrophobicContact CB-CG 3.94Å; T521-L525 PolarHBondContact O-N 3.43Å; R522-L525 WeakPolarHBondContact O-CB 3.46Å; R522-L525 PolarHBondContact O-N 3.47Å; R522-L525 VanDerWaalsContact O-N 3.14Å; L525-A528 PolarHBondContact O-N 2.74Å; L525-L529 WeakPolarHBondContact O-CB 3.49Å; L525-L529 WeakPolarHBondContact O-CD1 3.46Å; L525-L529 WeakPolarHBondContact O-CG 3.32Å; L525-L529 PolarHBondContact O-N 2.82Å
526	D	98.6	Very high	98.2	Very high	44 Å²	44	34.6 Å²	34.6	24%	0.235	18%	0.181	C	C	.	.	H	α-helix	trans	-68.2	-43.5	177.3	-71.3	-37	0	0	0	111.6	Y452 R522 E523 A528 L529 E530	Y452-D526 VanDerWaalsContact CE1-OD1 3.26Å; Y452-D526 WeakPolarHBondContact CE1-OD1 3.21Å; Y452-D526 VanDerWaalsContact CZ-OD1 3.29Å; Y452-D526 PolarHBondContact OH-OD1 3.07Å; R522-D526 WeakPolarHBondContact CG-OD2 3.17Å; R522-D526 PolarHBondContact O-N 3.21Å; E523-D526 PolarHBondContact O-N 3.22Å; D526-A528 VanDerWaalsContact C-N 3.26Å; D526-A528 PolarHBondContact O-N 3.05Å; D526-L529 PolarHBondContact O-N 3.01Å; D526-L529 VanDerWaalsContact O-N 3.08Å; D526-E530 WeakPolarHBondContact O-CG 3.25Å; D526-E530 PolarHBondContact O-N 2.9Å
527	T	98.5	Very high	98.1	Very high	69 Å²	69	39 Å²	39	42%	0.423	21%	0.205	S	C	.	.	H	α-helix	trans	-55.3	-42.2	170.6	-55.6	0	0	0	0	111.4	I175 E523 A531	I175-T527 HydrophobicContact CD1-CG2 3.84Å; E523-T527 WeakPolarHBondContact O-CB 3.48Å; E523-T527 PolarHBondContact O-N 3.44Å; E523-T527 PolarHBondContact O-OG1 3.31Å; T527-A531 WeakPolarHBondContact O-CB 3.27Å; T527-A531 PolarHBondContact O-N 3.35Å
528	A	98.5	Very high	98.1	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-68	-41	176.4	0	0	0	0	0	112.5	M177 I495 M524 L525 D526 I532	M177-A528 HydrophobicContact CE-CB 4.47Å; M177-A528 HydrophobicContact CG-CB 4.28Å; M177-A528 HydrophobicContact SD-CB 4.32Å; I495-A528 HydrophobicContact CD1-CB 4.46Å; M524-A528 WeakPolarHBondContact O-CB 3.27Å; M524-A528 PolarHBondContact O-N 2.92Å; L525-A528 PolarHBondContact O-N 2.74Å; D526-A528 VanDerWaalsContact C-N 3.26Å; D526-A528 PolarHBondContact O-N 3.05Å; A528-I532 WeakPolarHBondContact O-CB 3.47Å; A528-I532 WeakPolarHBondContact O-CD1 3.34Å; A528-I532 WeakPolarHBondContact O-CG1 3.27Å; A528-I532 PolarHBondContact O-N 3.26Å
529	L	98.6	Very high	98	Very high	2 Å²	2	44.6 Å²	44.6	1%	0.01	23%	0.232	C	C	.	.	H	α-helix	trans	-67.5	-40.8	179.7	-75.9	164.3	0	0	0	112.4	Y452 F453 R456 L457 M460 L525 D526 I532 S533	Y452-L529 HydrophobicContact CD1-CD1 4.35Å; Y452-L529 HydrophobicContact CE1-CD1 3.73Å; F453-L529 HydrophobicContact CD2-CD1 4.15Å; F453-L529 HydrophobicContact CD2-CD2 3.68Å; F453-L529 HydrophobicContact CD2-CG 3.75Å; F453-L529 HydrophobicContact CE2-CD2 3.73Å; F453-L529 HydrophobicContact CE2-CG 3.87Å; F453-L529 HydrophobicContact CG-CD2 4.49Å; R456-L529 HydrophobicContact CB-CD1 3.55Å; R456-L529 HydrophobicContact CB-CD2 3.75Å; R456-L529 HydrophobicContact CB-CG 4.28Å; R456-L529 HydrophobicContact CG-CD1 3.78Å; L457-L529 HydrophobicContact CD2-CD2 3.65Å; L457-L529 HydrophobicContact CG-CD2 3.78Å; M460-L529 HydrophobicContact CE-CB 3.95Å; M460-L529 HydrophobicContact SD-CD2 4.4Å; L525-L529 WeakPolarHBondContact O-CB 3.49Å; L525-L529 WeakPolarHBondContact O-CD1 3.46Å; L525-L529 WeakPolarHBondContact O-CG 3.32Å; L525-L529 PolarHBondContact O-N 2.82Å; D526-L529 PolarHBondContact O-N 3.01Å; D526-L529 VanDerWaalsContact O-N 3.08Å; L529-I532 PolarHBondContact O-N 3.45Å; L529-S533 WeakPolarHBondContact O-CB 3.41Å; L529-S533 PolarHBondContact O-N 3.46Å
530	E	98.5	Very high	98	Very high	131 Å²	131	50.4 Å²	50.4	61%	0.612	25%	0.254	S	S	*	.	H	α-helix	trans	-61	-50.7	174.6	-72.6	177	171.4	0	0	111	D526 I532 S533 E534	D526-E530 WeakPolarHBondContact O-CG 3.25Å; D526-E530 PolarHBondContact O-N 2.9Å; E530-I532 PolarHBondContact O-N 2.83Å; E530-S533 WeakPolarHBondContact O-CA 3.2Å; E530-S533 VanDerWaalsContact O-CB 3.32Å; E530-S533 WeakPolarHBondContact O-CB 3.2Å; E530-S533 PolarHBondContact O-N 2.76Å; E530-S533 VanDerWaalsContact O-N 3.08Å; E530-E534 PolarHBondContact O-N 2.66Å
531	A	98.5	Very high	97.9	Very high	7 Å²	7	50.2 Å²	50.2	6%	0.058	25%	0.253	C	S	.	.	H	α-helix	trans	-59.8	-41.4	175.2	0	0	0	0	0	112.9	M490 R493 I495 T527 S533 E534 V535	M490-A531 HydrophobicContact CE-CB 3.72Å; M490-A531 HydrophobicContact SD-CB 4.47Å; R493-A531 HydrophobicContact CB-CB 4.21Å; I495-A531 HydrophobicContact CD1-CB 3.29Å; T527-A531 WeakPolarHBondContact O-CB 3.27Å; T527-A531 PolarHBondContact O-N 3.35Å; A531-S533 VanDerWaalsContact C-N 3.31Å; A531-S533 PolarHBondContact O-N 3.23Å; A531-E534 PolarHBondContact O-N 2.73Å; A531-V535 WeakPolarHBondContact O-CB 3.48Å; A531-V535 VanDerWaalsContact O-CG2 3.28Å; A531-V535 WeakPolarHBondContact O-CG2 3.23Å; A531-V535 PolarHBondContact O-N 2.76Å
532	I	98.5	Very high	97.7	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-63.4	-39.2	174.4	-69.4	162.2	0	0	0	110.6	F453 L457 F462 L475 F486 M490 F514 A528 L529 E530 G536	F453-I532 HydrophobicContact CE2-CD1 3.99Å; F453-I532 HydrophobicContact CZ-CD1 3.68Å; L457-I532 HydrophobicContact CD2-CB 4.41Å; L457-I532 HydrophobicContact CD2-CD1 4.28Å; L457-I532 HydrophobicContact CD2-CG2 3.66Å; F462-I532 HydrophobicContact CD2-CG2 4.39Å; F462-I532 HydrophobicContact CE1-CG2 4.43Å; F462-I532 HydrophobicContact CE2-CG2 3.76Å; F462-I532 HydrophobicContact CZ-CG2 3.79Å; F462-I532 VanDerWaalsContact CZ-O 3.32Å; F462-I532 WeakPolarHBondContact CZ-O 3.43Å; L475-I532 HydrophobicContact CD1-CG2 3.69Å; F486-I532 HydrophobicContact CZ-CG1 4.4Å; F486-I532 HydrophobicContact CZ-CG2 4.47Å; M490-I532 HydrophobicContact CE-CG1 3.61Å; M490-I532 HydrophobicContact SD-CG1 4.05Å; F514-I532 HydrophobicContact CE1-CD1 3.83Å; F514-I532 HydrophobicContact CE1-CG1 4.36Å; F514-I532 HydrophobicContact CE2-CD1 3.81Å; F514-I532 HydrophobicContact CE2-CG1 4.41Å; F514-I532 HydrophobicContact CZ-CD1 3.4Å; F514-I532 VanDerWaalsContact CZ-CD1 3.4Å; F514-I532 HydrophobicContact CZ-CG1 3.76Å; A528-I532 WeakPolarHBondContact O-CB 3.47Å; A528-I532 WeakPolarHBondContact O-CD1 3.34Å; A528-I532 WeakPolarHBondContact O-CG1 3.27Å; A528-I532 PolarHBondContact O-N 3.26Å; L529-I532 PolarHBondContact O-N 3.45Å; E530-I532 PolarHBondContact O-N 2.83Å; I532-G536 WeakPolarHBondContact O-CA 3.33Å; I532-G536 PolarHBondContact O-N 3.41Å
533	S	98.3	Very high	97.3	Very high	27 Å²	27	49.1 Å²	49.1	19%	0.189	25%	0.245	C	C	.	.	H	α-helix	trans	-61.5	-51.7	176.1	-176.1	0	0	0	0	111.7	L529 E530 A531 G536 D537 K542	L529-S533 WeakPolarHBondContact O-CB 3.41Å; L529-S533 PolarHBondContact O-N 3.46Å; E530-S533 WeakPolarHBondContact O-CA 3.2Å; E530-S533 VanDerWaalsContact O-CB 3.32Å; E530-S533 WeakPolarHBondContact O-CB 3.2Å; E530-S533 PolarHBondContact O-N 2.76Å; E530-S533 VanDerWaalsContact O-N 3.08Å; A531-S533 VanDerWaalsContact C-N 3.31Å; A531-S533 PolarHBondContact O-N 3.23Å; S533-G536 CarbonylContact O-C 3.43Å; S533-G536 WeakPolarHBondContact O-CA 3.25Å; S533-G536 PolarHBondContact O-N 3.43Å; S533-G536 VanDerWaalsContact O-N 3.15Å; S533-D537 PolarHBondContact O-N 2.84Å; S533-K542 PolarHBondContact O-NZ 3.16Å; S533-K542 PolarHBondContact OG-NZ 2.92Å
534	E	98.3	Very high	96.8	Very high	106 Å²	106	44.5 Å²	44.5	50%	0.495	23%	0.226	S	C	.	.	H	α-helix	trans	-56.8	-51.8	177.4	-72.4	-173.2	-177.1	0	0	112.3	R493 E530 A531 G536 D537 L538	R493-E534 IonicContact CZ-OE2 3.89Å; R493-E534 IonicContact NE-OE2 3.86Å; R493-E534 PolarHBondContact NE-OE2 2.9Å; R493-E534 IonicContact NH2-OE2 3.52Å; R493-E534 PolarHBondContact NH2-OE2 3.32Å; E530-E534 PolarHBondContact O-N 2.66Å; A531-E534 PolarHBondContact O-N 2.73Å; E534-G536 PolarHBondContact O-N 2.73Å; E534-D537 PolarHBondContact O-N 2.99Å; E534-D537 VanDerWaalsContact O-N 3.14Å; E534-L538 WeakPolarHBondContact O-CB 3.35Å; E534-L538 PolarHBondContact O-N 2.88Å
535	V	98.2	Very high	96	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-66.5	-29	-179.3	177.3	0	0	0	0	110.3	F486 E489 M490 A531 L539	F486-V535 HydrophobicContact CD2-CG1 3.55Å; F486-V535 HydrophobicContact CE2-CB 4.44Å; F486-V535 HydrophobicContact CE2-CG1 3.87Å; F486-V535 HydrophobicContact CG-CG1 4.28Å; E489-V535 HydrophobicContact CB-CB 4.43Å; E489-V535 HydrophobicContact CB-CG1 3.78Å; E489-V535 HydrophobicContact CB-CG2 3.69Å; M490-V535 HydrophobicContact SD-CB 4.02Å; M490-V535 HydrophobicContact SD-CG1 4.36Å; M490-V535 HydrophobicContact SD-CG2 3.85Å; A531-V535 WeakPolarHBondContact O-CB 3.48Å; A531-V535 VanDerWaalsContact O-CG2 3.28Å; A531-V535 WeakPolarHBondContact O-CG2 3.23Å; A531-V535 PolarHBondContact O-N 2.76Å; V535-L539 HydrophobicContact CG1-CD1 3.73Å; V535-L539 HydrophobicContact CG1-CG 4.21Å; V535-L539 VanDerWaalsContact O-CB 3.25Å; V535-L539 WeakPolarHBondContact O-CB 3.5Å; V535-L539 WeakPolarHBondContact O-CG 3.4Å; V535-L539 PolarHBondContact O-N 3.16Å
536	G	97.4	Very high	94.9	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-68.9	-33.4	172.4	0	0	0	0	0	114.6	I532 S533 E534 Q540 L541	I532-G536 WeakPolarHBondContact O-CA 3.33Å; I532-G536 PolarHBondContact O-N 3.41Å; S533-G536 CarbonylContact O-C 3.43Å; S533-G536 WeakPolarHBondContact O-CA 3.25Å; S533-G536 PolarHBondContact O-N 3.43Å; S533-G536 VanDerWaalsContact O-N 3.15Å; E534-G536 PolarHBondContact O-N 2.73Å; G536-Q540 CarbonylContact O-C 3.55Å; G536-Q540 VanDerWaalsContact O-CA 3.3Å; G536-Q540 WeakPolarHBondContact O-CA 3.41Å; G536-Q540 PolarHBondContact O-N 2.93Å; G536-Q540 VanDerWaalsContact O-N 3.07Å; G536-L541 PolarHBondContact O-N 2.72Å
537	D	97.6	Very high	93	Very high	93 Å²	93	63.6 Å²	63.6	50%	0.497	30%	0.301	S	S	.	.	H	α-helix	trans	-75.5	-49.6	172	-67.2	-40.5	0	0	0	110.7	S533 E534 L539 Q540 K542	S533-D537 PolarHBondContact O-N 2.84Å; E534-D537 PolarHBondContact O-N 2.99Å; E534-D537 VanDerWaalsContact O-N 3.14Å; D537-L539 VanDerWaalsContact C-N 3.28Å; D537-L539 PolarHBondContact O-N 3.18Å; D537-Q540 PolarHBondContact O-N 2.81Å; D537-K542 VanDerWaalsContact OD1-CD 3.28Å; D537-K542 WeakPolarHBondContact OD1-CD 3.5Å; D537-K542 VanDerWaalsContact OD1-CE 3.31Å; D537-K542 WeakPolarHBondContact OD1-CE 3.44Å; D537-K542 IonicContact OD1-NZ 2.75Å; D537-K542 PolarHBondContact OD1-NZ 3.44Å; D537-K542 IonicContact OD2-NZ 3.46Å; D537-K542 PolarHBondContact OD2-NZ 3.17Å
538	L	97.5	Very high	90.9	Very high	109 Å²	109	68.3 Å²	68.3	57%	0.571	32%	0.315	S	S	*	.	H	α-helix	trans	-54.1	-41.3	177.5	176.4	62.7	0	0	0	112.8	E489 E534	E489-L538 HydrophobicContact CG-CD2 4.1Å; E534-L538 WeakPolarHBondContact O-CB 3.35Å; E534-L538 PolarHBondContact O-N 2.88Å
539	L	96.7	Very high	88.5	Confident	28 Å²	28	72 Å²	72	15%	0.147	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	3.8	179.8	-58.2	-178.9	0	0	0	113.4	K482 A485 F486 V535 D537 L541	K482-L539 VanDerWaalsContact CD-O 3.32Å; K482-L539 WeakPolarHBondContact CD-O 3.48Å; K482-L539 WeakPolarHBondContact CE-O 3.49Å; K482-L539 PolarHBondContact NZ-O 2.77Å; A485-L539 HydrophobicContact CB-CD1 3.88Å; A485-L539 HydrophobicContact CB-CD2 3.8Å; F486-L539 HydrophobicContact CB-CD1 3.94Å; F486-L539 HydrophobicContact CD2-CD1 4.2Å; V535-L539 HydrophobicContact CG1-CD1 3.73Å; V535-L539 HydrophobicContact CG1-CG 4.21Å; V535-L539 VanDerWaalsContact O-CB 3.25Å; V535-L539 WeakPolarHBondContact O-CB 3.5Å; V535-L539 WeakPolarHBondContact O-CG 3.4Å; V535-L539 PolarHBondContact O-N 3.16Å; D537-L539 VanDerWaalsContact C-N 3.28Å; D537-L539 PolarHBondContact O-N 3.18Å; L539-L541 HydrophobicContact CB-CD1 3.85Å; L539-L541 HydrophobicContact CB-CG 3.93Å; L539-L541 HydrophobicContact CD1-CD1 4.3Å
540	Q	95.7	Very high	85.5	Confident	149 Å²	149	79.6 Å²	79.6	70%	0.696	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.5	70.3	-177.5	-60.8	177.9	-12.9	0	0	112.4	K482 G536 D537 Y543	K482-Q540 PolarHBondContact NZ-O 3.12Å; G536-Q540 CarbonylContact O-C 3.55Å; G536-Q540 VanDerWaalsContact O-CA 3.3Å; G536-Q540 WeakPolarHBondContact O-CA 3.41Å; G536-Q540 PolarHBondContact O-N 2.93Å; G536-Q540 VanDerWaalsContact O-N 3.07Å; D537-Q540 PolarHBondContact O-N 2.81Å; Q540-Y543 WeakPolarHBondContact O-CE1 3.42Å; Q540-Y543 PolarHBondContact O-OH 3.03Å
541	L	95.3	Very high	82.5	Confident	0 Å²	0	78.7 Å²	78.7	0%	0	39%	0.385	C	S	.	.			trans	-116.8	-4.6	-174.2	-67.1	172.8	0	0	0	114.2	F462 L477 K482 F486 G536 L539 Y543	F462-L541 HydrophobicContact CD1-CB 4.27Å; F462-L541 HydrophobicContact CE1-CB 3.95Å; L477-L541 HydrophobicContact CD2-CD1 3.61Å; L477-L541 HydrophobicContact CD2-CD2 4.13Å; K482-L541 HydrophobicContact CB-CD2 4.47Å; K482-L541 HydrophobicContact CD-CD2 3.62Å; K482-L541 HydrophobicContact CD-CG 4.46Å; F486-L541 HydrophobicContact CD2-CD1 3.58Å; F486-L541 HydrophobicContact CE2-CD1 3.93Å; G536-L541 PolarHBondContact O-N 2.72Å; L539-L541 HydrophobicContact CB-CD1 3.85Å; L539-L541 HydrophobicContact CB-CG 3.93Å; L539-L541 HydrophobicContact CD1-CD1 4.3Å; L541-Y543 HydrophobicContact CB-CE2 4.3Å; L541-Y543 HydrophobicContact CD2-CE2 3.67Å; L541-Y543 WeakPolarHBondContact O-CD2 3.5Å; L541-Y543 PolarHBondContact O-N 3.27Å
542	K	94	Very high	79.7	Confident	66 Å²	66	83.3 Å²	83.3	29%	0.287	42%	0.417	S	S	.	.			trans	-80.9	71.4	178.3	-65	173.2	-178.8	172.2	0	110.2	M460 G461 F462 S533 D537	M460-K542 VanDerWaalsContact O-CD 3.26Å; M460-K542 WeakPolarHBondContact O-CD 3.33Å; M460-K542 WeakPolarHBondContact O-CG 3.42Å; G461-K542 CarbonylContact O-C 3.49Å; G461-K542 VanDerWaalsContact O-CA 3.3Å; G461-K542 WeakPolarHBondContact O-CA 3.14Å; F462-K542 HydrophobicContact CD1-CG 4.1Å; F462-K542 HydrophobicContact CE1-CG 3.72Å; F462-K542 HydrophobicContact CE2-CG 4.31Å; F462-K542 HydrophobicContact CZ-CD 4.41Å; F462-K542 HydrophobicContact CZ-CG 3.83Å; S533-K542 PolarHBondContact O-NZ 3.16Å; S533-K542 PolarHBondContact OG-NZ 2.92Å; D537-K542 VanDerWaalsContact OD1-CD 3.28Å; D537-K542 WeakPolarHBondContact OD1-CD 3.5Å; D537-K542 VanDerWaalsContact OD1-CE 3.31Å; D537-K542 WeakPolarHBondContact OD1-CE 3.44Å; D537-K542 IonicContact OD1-NZ 2.75Å; D537-K542 PolarHBondContact OD1-NZ 3.44Å; D537-K542 IonicContact OD2-NZ 3.46Å; D537-K542 PolarHBondContact OD2-NZ 3.17Å
543	Y	89.6	Confident	76.5	Confident	39 Å²	39	91.2 Å²	91.2	15%	0.153	46%	0.458	C	S	.	.			trans	-91.6	-9.8	-170.6	-57.6	-72.4	0	0	0	115.5	V74 G461 Y478 K482 Q540 L541	V74-Y543 HydrophobicContact CG1-CE1 4.18Å; V74-Y543 HydrophobicContact CG2-CD1 3.66Å; V74-Y543 HydrophobicContact CG2-CE1 3.52Å; V74-Y543 HydrophobicContact CG2-CG 4.47Å; G461-Y543 PolarHBondContact O-N 2.99Å; Y478-Y543 AromaticContact CD2-CD2 3.76Å; Y478-Y543 HydrophobicContact CD2-CD2 3.76Å; Y478-Y543 AromaticContact CD2-CE2 3.44Å; Y478-Y543 HydrophobicContact CD2-CE2 3.44Å; Y478-Y543 VanDerWaalsContact CD2-CE2 3.44Å; Y478-Y543 AromaticContact CE2-CD2 3.6Å; Y478-Y543 HydrophobicContact CE2-CD2 3.6Å; Y478-Y543 AromaticContact CE2-CE2 3.81Å; Y478-Y543 HydrophobicContact CE2-CE2 3.81Å; Y478-Y543 HydrophobicContact CE2-CG 4.36Å; K482-Y543 PolarHBondContact NZ-OH 3.11Å; Q540-Y543 WeakPolarHBondContact O-CE1 3.42Å; Q540-Y543 PolarHBondContact O-OH 3.03Å; L541-Y543 HydrophobicContact CB-CE2 4.3Å; L541-Y543 HydrophobicContact CD2-CE2 3.67Å; L541-Y543 WeakPolarHBondContact O-CD2 3.5Å; L541-Y543 PolarHBondContact O-N 3.27Å
544	S	88.4	Confident	73.3	Confident	28 Å²	28	92.6 Å²	92.6	20%	0.196	48%	0.477	C	S	.	.			trans	-65.8	138.6	-172	-176.4	0	0	0	0	111.1	E68 G461	E68-S544 WeakPolarHBondContact OE1-CA 3.43Å; E68-S544 PolarHBondContact OE1-OG 2.72Å; E68-S544 PolarHBondContact OE2-OG 3.02Å; G461-S544 WeakPolarHBondContact O-CB 3.41Å; G461-S544 PolarHBondContact O-N 3.26Å
545	R	81.6	Confident	70.2	Confident	181 Å²	181	99.7 Å²	99.7	68%	0.683	50%	0.499	S	S	*	.			trans	-98	-0.7	-176.9	-65.2	170.8	166.8	-175.3	-9.1	113.2	E68	E68-R545 PolarHBondContact OE1-N 3.31Å
546	R	74.1	Confident	66.8	Low	114 Å²	114	107 Å²	107	43%	0.43	54%	0.535	S	S	.	.	S	Bend	trans	-67.7	144.1	177.4	-58.7	178.8	-166.7	-147.3	-0.8	108.8	E68 K548	E68-R546 IonicContact OE2-CZ 2.69Å; E68-R546 IonicContact OE2-NE 3.42Å; E68-R546 PolarHBondContact OE2-NE 3.34Å; E68-R546 IonicContact OE2-NH2 2.76Å; R546-K548 PolarHBondContact O-N 2.98Å
547	E	58.5	Low	63.6	Low	186 Å²	186	110.2 Å²	110.2	87%	0.869	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-55.5	136.3	165.8	-63.7	-176.6	145.7	0	0	108.6
548	K	55.2	Low	60.4	Low	168 Å²	168	114.6 Å²	114.6	73%	0.73	58%	0.575	S	S	*	*	P	Polyproline II helix	trans	-56.8	130.8	172	-71.3	-177.5	177	-179	0	107.2	R546 L550	R546-K548 PolarHBondContact O-N 2.98Å; K548-L550 PolarHBondContact O-N 3.35Å; K548-L550 VanDerWaalsContact O-N 3.11Å
549	P	47.3	Very low	57.3	Low	78 Å²	78	117.7 Å²	117.7	51%	0.506	59%	0.587	S	S	.	*	P	Polyproline II helix	trans	-50.9	125.5	167.9	-23.7	33.4	0	0	0	108	E459	E459-P549 HydrophobicContact CG-CG 4.24Å
550	L	36.3	Very low	54.1	Low	162 Å²	162	119.9 Å²	119.9	85%	0.848	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-52.6	133.7	169	-73.4	169.2	0	0	0	107	K548 S552	K548-L550 PolarHBondContact O-N 3.35Å; K548-L550 VanDerWaalsContact O-N 3.11Å; L550-S552 PolarHBondContact O-N 3.05Å
551	P	36.5	Very low	51.2	Low	111 Å²	111	120.2 Å²	120.2	72%	0.721	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-56.3	118.9	178.3	24.3	-32.8	0	0	0	107.4	L553	P551-L553 PolarHBondContact O-N 3.08Å; P551-L553 VanDerWaalsContact O-N 3.1Å
552	S	38.7	Very low	48.5	Very low	105 Å²	105	127.8 Å²	127.8	73%	0.734	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-53.7	121.2	174.9	51.5	0	0	0	0	107.4	L550 G554	L550-S552 PolarHBondContact O-N 3.05Å; S552-G554 PolarHBondContact O-N 3.4Å
553	L	32	Very low	45.7	Very low	166 Å²	166	133.3 Å²	133.3	87%	0.869	68%	0.676	S	S	*	*			trans	-54.9	110.6	172.6	-88.9	74.4	0	0	0	106.8	P551 W555	P551-L553 PolarHBondContact O-N 3.08Å; P551-L553 VanDerWaalsContact O-N 3.1Å; L553-W555 PolarHBondContact O-N 3.01Å
554	G	31.4	Very low	43.2	Very low	56 Å²	56	142.9 Å²	142.9	58%	0.577	73%	0.73	S	S	*	*			trans	-65.4	129.1	176.6	0	0	0	0	0	108.1	S552 M556	S552-G554 PolarHBondContact O-N 3.4Å; G554-M556 PolarHBondContact O-N 2.98Å
555	W	32.1	Very low	40.9	Very low	254 Å²	254	148.7 Å²	148.7	96%	0.962	76%	0.757	S	S	*	*			trans	-9	91.4	160.9	-58.5	81.9	0	0	0	113.9	L553 S557	L553-W555 PolarHBondContact O-N 3.01Å; W555-S557 PolarHBondContact O-N 2.61Å
556	M	26.3	Very low	38.8	Very low	153 Å²	153	146.9 Å²	146.9	75%	0.754	76%	0.761	S	S	*	*			trans	-65.2	128.3	157	-74.7	176.6	59.6	0	0	106.4	G554	G554-M556 PolarHBondContact O-N 2.98Å
557	S	31.1	Very low	36.9	Very low	68 Å²	68	148.8 Å²	148.8	48%	0.476	78%	0.779	S	S	.	*			trans	-67	140.2	175.4	48.2	0	0	0	0	110.2	W555 E559 S560	W555-S557 PolarHBondContact O-N 2.61Å; S557-E559 PolarHBondContact O-N 2.73Å; S557-S560 PolarHBondContact O-N 3.1Å; S557-S560 PolarHBondContact O-OG 3.03Å
558	E	30.7	Very low	35.6	Very low	186 Å²	186	146.6 Å²	146.6	87%	0.869	77%	0.774	S	S	*	*	G	3₁₀ helix	trans	-66.7	-2.9	177.7	-64.6	-178.5	119.1	0	0	112.9	S560	E558-S560 PolarHBondContact O-N 3.29Å
559	E	32.4	Very low	34.3	Very low	174 Å²	174	145.3 Å²	145.3	81%	0.813	78%	0.777	S	S	*	*	G	3₁₀ helix	trans	-71.4	-5.7	174.3	-61.6	178.7	126.6	0	0	113.9	S557	S557-E559 PolarHBondContact O-N 2.73Å
560	S	29.9	Very low	33.5	Very low	74 Å²	74	149.7 Å²	149.7	52%	0.517	80%	0.795	S	S	.	*	G	3₁₀ helix	trans	-97.9	9.8	-176.3	55.9	0	0	0	0	115.4	S557 E558	S557-S560 PolarHBondContact O-N 3.1Å; S557-S560 PolarHBondContact O-OG 3.03Å; E558-S560 PolarHBondContact O-N 3.29Å
561	L	32.8	Very low	33.3	Very low	156 Å²	156	148.9 Å²	148.9	82%	0.817	79%	0.791	S	S	*	*	S	Bend	trans	-120.6	20.6	-179.6	-81.7	169.4	0	0	0	114.4
562	L	38.6	Very low	33	Very low	158 Å²	158	151.8 Å²	151.8	83%	0.827	80%	0.797	S	S	*	*	S	Bend	trans	-132.8	39.6	176.6	-73.2	176.2	0	0	0	113.3
563	Q	36	Very low	32.6	Very low	182 Å²	182	155.7 Å²	155.7	85%	0.85	80%	0.802	S	S	*	*			trans	-159.2	81.4	166.4	-121.1	159.2	59.9	0	0	112.1
564	D	37.5	Very low	32.6	Very low	241 Å²	241	154.7 Å²	154.7	100%	1.289	80%	0.796	S	S	*	*			trans	172.6	0	133.8	-87.9	-10.2	0	0	0	110.9

Retrieved 564 of 564 residues in 901.2 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).