A0A087XQS2_POEFO Loading...

Myg1 exonuclease

AlphaFold DB , UniProt , Accession A0A087XQS2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 399 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41	Very low	32.9	Very low	236 Å²	236	167.1 Å²	167.1	100%	1.163	85%	0.85	S	S	*	*				0	141.8	0	-99.4	-179.5	-160.4	0	0	107.2
2	W	31.2	Very low	32.8	Very low	260 Å²	260	163.8 Å²	163.8	99%	0.985	84%	0.844	S	S	*	*			trans	106.8	100.7	-178	-66.9	54.5	0	0	0	113.1
3	S	30.2	Very low	32.5	Very low	105 Å²	105	167.2 Å²	167.2	73%	0.734	85%	0.849	S	S	*	*	P	Polyproline II helix	trans	-102.6	137.8	-179.6	169.9	0	0	0	0	108.7	R5	S3-R5 PolarHBondContact O-N 3.06Å
4	P	37.3	Very low	32.4	Very low	117 Å²	117	164.9 Å²	164.9	76%	0.76	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-81.7	116.8	174	29.9	-28.3	0	0	0	110.3	V6	P4-V6 PolarHBondContact O-N 3.06Å
5	R	33.3	Very low	32.2	Very low	236 Å²	236	161.5 Å²	161.5	89%	0.891	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-75.5	116.5	171.4	-78.1	-176.2	175	-166.6	-1	110	S3	S3-R5 PolarHBondContact O-N 3.06Å
6	V	33.6	Very low	32.1	Very low	136 Å²	136	161.8 Å²	161.8	82%	0.824	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-76.2	117.2	165.8	177	0	0	0	0	108.2	P4	P4-V6 PolarHBondContact O-N 3.06Å
7	I	35	Very low	31.9	Very low	147 Å²	147	159.4 Å²	159.4	75%	0.754	83%	0.832	S	S	*	*			trans	-92.1	108.8	171.8	-63.3	174.1	0	0	0	107.5
8	A	30.5	Very low	31.9	Very low	89 Å²	89	157.3 Å²	157.3	74%	0.736	83%	0.826	S	S	*	*			trans	-83.4	111.9	171.8	0	0	0	0	0	109.7	K10	A8-K10 PolarHBondContact O-N 3.28Å
9	L	30.3	Very low	31.7	Very low	150 Å²	150	152.8 Å²	152.8	79%	0.785	82%	0.822	S	S	*	*			trans	-76.1	113.2	166.4	-91.4	97.8	0	0	0	109.6	L11	L9-L11 PolarHBondContact O-N 3.05Å
10	K	29.6	Very low	31.6	Very low	201 Å²	201	154 Å²	154	87%	0.874	82%	0.822	S	S	*	*			trans	-78.8	106.8	164.1	-82.8	-179.4	175.1	178.5	0	108.8	A8 T12	A8-K10 PolarHBondContact O-N 3.28Å; K10-T12 PolarHBondContact O-N 3.5Å
11	L	29.8	Very low	31.5	Very low	161 Å²	161	156.5 Å²	156.5	84%	0.843	83%	0.825	S	S	*	*			trans	-84.4	103.9	167.3	-75.6	162.8	0	0	0	109.1	L9 K13	L9-L11 PolarHBondContact O-N 3.05Å; L11-K13 PolarHBondContact O-N 3.17Å
12	T	31.5	Very low	31.2	Very low	127 Å²	127	152.5 Å²	152.5	78%	0.779	81%	0.807	S	S	*	*			trans	-77.3	113.6	166.7	28.8	0	0	0	0	109.6	K10 I14	K10-T12 PolarHBondContact O-N 3.5Å; T12-I14 PolarHBondContact O-N 3.11Å
13	K	29.4	Very low	31.2	Very low	209 Å²	209	145.9 Å²	145.9	91%	0.909	80%	0.798	S	S	*	*			trans	-65.9	117.1	167.2	-80.3	179.2	174.6	178.7	0	109.2	L11	L11-K13 PolarHBondContact O-N 3.17Å
14	I	31.2	Very low	31.1	Very low	134 Å²	134	149.2 Å²	149.2	69%	0.687	81%	0.806	S	S	*	*			trans	-101	110.7	163.8	-61.5	176.1	0	0	0	106.6	T12 H16	T12-I14 PolarHBondContact O-N 3.11Å; I14-H16 WeakPolarHBondContact CG2-NE2 3.38Å
15	S	29.4	Very low	30.6	Very low	114 Å²	114	149.6 Å²	149.6	80%	0.797	81%	0.81	S	S	*	*			trans	-90	113.9	172.3	52.2	0	0	0	0	109.3
16	H	30.1	Very low	30.4	Very low	166 Å²	166	145.8 Å²	145.8	77%	0.769	81%	0.808	S	S	*	*			trans	-100.6	112.4	166.3	-76.1	-65.1	0	0	0	109.4	I14	I14-H16 WeakPolarHBondContact CG2-NE2 3.38Å
17	S	28.8	Very low	30.3	Very low	122 Å²	122	147.7 Å²	147.7	85%	0.853	81%	0.813	S	S	*	*			trans	-88.5	115.5	164.6	52.3	0	0	0	0	108.6
18	V	31.8	Very low	30	Very low	121 Å²	121	150.1 Å²	150.1	73%	0.733	82%	0.818	S	S	*	*			trans	-105.7	106.8	170.3	179.5	0	0	0	0	107.3
19	G	28	Very low	29.9	Very low	72 Å²	72	149.2 Å²	149.2	74%	0.742	82%	0.817	S	S	*	*			trans	-80.4	120.6	172.1	0	0	0	0	0	110.5
20	H	29.9	Very low	29.8	Very low	177 Å²	177	150 Å²	150	82%	0.819	82%	0.821	S	S	*	*			trans	-76	120	168	-78.4	-38.1	0	0	0	110.4
21	K	29.2	Very low	29.8	Very low	206 Å²	206	149.5 Å²	149.5	90%	0.896	82%	0.821	S	S	*	*			trans	-113.5	112.7	160.9	-77.2	-172.8	177.6	-178.5	0	108.2
22	I	34.2	Very low	29.8	Very low	153 Å²	153	148.9 Å²	148.9	79%	0.785	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-88.3	129.3	170.5	-61.1	166.7	0	0	0	107.4
23	P	32	Very low	29.7	Very low	121 Å²	121	150.1 Å²	150.1	79%	0.786	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-89.3	122.4	166.5	23.9	-12.4	0	0	0	110.8
24	L	27.8	Very low	29.7	Very low	174 Å²	174	145.2 Å²	145.2	91%	0.911	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-67.7	126.9	167.4	-85.4	137.8	0	0	0	110.4
25	C	28.1	Very low	29.5	Very low	125 Å²	125	142.8 Å²	142.8	85%	0.845	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-93.7	124.2	171.6	-144.9	0	0	0	0	110
26	N	28.3	Very low	29.6	Very low	157 Å²	157	147 Å²	147	84%	0.84	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-76	124.5	175.8	-93.8	-37.2	0	0	0	110.8
27	L	30.6	Very low	29.6	Very low	176 Å²	176	147.9 Å²	147.9	92%	0.921	83%	0.826	S	S	*	*			trans	-114.2	113.3	162.7	-100.7	141.6	0	0	0	109.6
28	K	30.4	Very low	29.7	Very low	198 Å²	198	150.4 Å²	150.4	86%	0.861	82%	0.817	S	S	*	*			trans	-70.5	142.8	175.7	-69.8	176.4	176	178.5	0	110
29	G	27	Very low	29.6	Very low	70 Å²	70	153.1 Å²	153.1	72%	0.722	82%	0.819	S	S	*	*			trans	-73.4	170	-179.9	0	0	0	0	0	115.3
30	L	28.5	Very low	29.6	Very low	167 Å²	167	154.8 Å²	154.8	87%	0.874	82%	0.819	S	S	*	*			trans	-134.5	119.7	158.8	-117.5	96.3	0	0	0	108.7
31	H	28.9	Very low	29.6	Very low	190 Å²	190	151.4 Å²	151.4	88%	0.88	82%	0.815	S	S	*	*			trans	-96	132.4	166.7	-107.1	-77.9	0	0	0	109
32	L	30.2	Very low	29.7	Very low	147 Å²	147	146.4 Å²	146.4	77%	0.77	81%	0.812	S	S	*	*			trans	-170.4	147	156.7	-94	122.7	0	0	0	106.9
33	L	30.1	Very low	29.6	Very low	153 Å²	153	146.5 Å²	146.5	80%	0.801	81%	0.814	S	S	*	*			cis	-161.1	151.3	-28	-133.5	156.3	0	0	0	104.5
34	C	28.9	Very low	29.6	Very low	107 Å²	107	147 Å²	147	72%	0.723	81%	0.81	S	S	*	*			trans	-61	147.3	-175.6	-174.3	0	0	0	0	114.5
35	G	28.1	Very low	29.7	Very low	82 Å²	82	150.4 Å²	150.4	85%	0.845	81%	0.811	S	S	*	*			trans	-144.8	100.2	160.1	0	0	0	0	0	111
36	R	31.4	Very low	29.8	Very low	203 Å²	203	148.2 Å²	148.2	77%	0.766	81%	0.81	S	S	*	*			trans	-89.6	141.2	169.3	-88.3	-179.5	170.5	-172.4	-1.8	109.8
37	L	28.9	Very low	30.1	Very low	184 Å²	184	145.8 Å²	145.8	96%	0.963	81%	0.812	S	S	*	*			trans	-143.5	147.9	145	-91.4	169.9	0	0	0	110.3
38	R	30.6	Very low	30.2	Very low	176 Å²	176	145 Å²	145	66%	0.664	80%	0.804	S	S	*	*			trans	-110.3	174.2	-161.8	-81.9	-174.8	176.9	-166.2	1.1	113.1
39	F	30.2	Very low	30.3	Very low	178 Å²	178	144.7 Å²	144.7	78%	0.781	81%	0.805	S	S	*	*			trans	96.5	141	153.2	-62.8	-77.2	0	0	0	114.9
40	S	28.3	Very low	30.7	Very low	106 Å²	106	151 Å²	151	74%	0.741	81%	0.807	S	S	*	*			cis	-156.9	167.8	15.9	-167.8	0	0	0	0	111.7
41	S	30.9	Very low	31.1	Very low	107 Å²	107	152.9 Å²	152.9	75%	0.748	81%	0.808	S	S	*	*			trans	-67.8	161.2	-179.7	58.5	0	0	0	0	117.3
42	A	30.5	Very low	31.5	Very low	100 Å²	100	151.9 Å²	151.9	83%	0.826	81%	0.806	S	S	*	*				-175.1	148	118	0	0	0	0	0	112.8
43	N	31.6	Very low	32.1	Very low	155 Å²	155	149.6 Å²	149.6	83%	0.829	80%	0.802	S	S	*	*			trans	-71.9	158.7	-173.1	-61.7	-30.3	0	0	0	114.7
44	N	31.6	Very low	32.8	Very low	131 Å²	131	147.9 Å²	147.9	70%	0.701	80%	0.804	S	S	*	*				175.8	164.9	93.1	-132.2	2.6	0	0	0	114.8
45	W	30.8	Very low	33.7	Very low	246 Å²	246	150.3 Å²	150.3	93%	0.932	80%	0.804	S	S	*	*			trans	-47.7	156.1	-165.1	-61.4	-38.2	0	0	0	123.3
46	G	30.2	Very low	34.4	Very low	80 Å²	80	152.1 Å²	152.1	83%	0.825	80%	0.801	S	S	*	*			trans	171.1	104.2	153.2	0	0	0	0	0	112.6
47	A	34.3	Very low	35	Very low	106 Å²	106	151.9 Å²	151.9	88%	0.876	81%	0.806	S	S	*	*			trans	-82.4	136.3	-177.5	0	0	0	0	0	112.8
48	E	32.7	Very low	35.5	Very low	160 Å²	160	152.8 Å²	152.8	75%	0.748	80%	0.802	S	S	*	*			trans	-156.3	106.2	149.4	-114.5	-177.3	-162.1	0	0	109	R50	E48-R50 PolarHBondContact O-N 3.33Å
49	Q	32.6	Very low	36.1	Very low	190 Å²	190	151.5 Å²	151.5	89%	0.888	81%	0.807	S	S	*	*			trans	-76	100.6	171.8	-93.6	177.6	-27.7	0	0	109.3
50	R	35.9	Very low	36.7	Very low	203 Å²	203	154.1 Å²	154.1	77%	0.766	81%	0.811	S	S	*	*			trans	-90.5	117.6	160.2	-72.5	-176.7	-176.6	-177.5	0.6	108.4	E48 M52	E48-R50 PolarHBondContact O-N 3.33Å; R50-M52 PolarHBondContact O-N 3.12Å
51	F	37.3	Very low	37.5	Very low	206 Å²	206	156 Å²	156	90%	0.904	81%	0.811	S	S	*	*			trans	-59.6	99.9	167.2	-91.6	-95.5	0	0	0	108.9
52	M	37	Very low	38.6	Very low	169 Å²	169	157 Å²	157	83%	0.833	81%	0.809	S	S	*	*			trans	-85.9	114.7	167.2	-69.1	-173.8	68.1	0	0	107.8	R50 S54	R50-M52 PolarHBondContact O-N 3.12Å; M52-S54 PolarHBondContact O-N 2.97Å; M52-S54 VanDerWaalsContact O-N 3.16Å
53	S	41.4	Very low	39.6	Very low	99 Å²	99	160.5 Å²	160.5	69%	0.692	81%	0.808	S	S	*	*			trans	-48.4	118.8	165.2	166.4	0	0	0	0	109.3	E55	S53-E55 PolarHBondContact O-N 3.38Å
54	S	46.1	Very low	41.1	Very low	118 Å²	118	161.2 Å²	161.2	83%	0.825	81%	0.808	S	S	*	*			trans	-89.9	45.1	177.3	63.8	0	0	0	0	111.1	M52	M52-S54 PolarHBondContact O-N 2.97Å; M52-S54 VanDerWaalsContact O-N 3.16Å
55	E	48.1	Very low	43.4	Very low	158 Å²	158	159.8 Å²	159.8	74%	0.738	80%	0.804	S	S	*	*			trans	-85.3	123.6	164.4	-73.7	-170.2	163.4	0	0	108.6	S53 K57	S53-E55 PolarHBondContact O-N 3.38Å; E55-K57 PolarHBondContact O-N 3.45Å
56	P	41.6	Very low	46.2	Very low	120 Å²	120	153.6 Å²	153.6	78%	0.779	79%	0.788	S	S	*	*			trans	-59.2	119.7	171.4	24.2	-29.7	0	0	0	107.3	K58	P56-K58 PolarHBondContact O-N 3.49Å
57	K	43.7	Very low	49.4	Very low	198 Å²	198	153.2 Å²	153.2	86%	0.861	76%	0.764	S	S	*	*			trans	-48.8	112.3	169.3	-74.7	-179.3	177.8	179	0	106.7	E55 I59	E55-K57 PolarHBondContact O-N 3.45Å; K57-I59 PolarHBondContact O-N 2.88Å
58	K	40.8	Very low	52.5	Low	202 Å²	202	151.2 Å²	151.2	88%	0.878	74%	0.735	S	S	*	*			trans	-48.3	112	170.3	-83.2	-177.8	177.2	179.2	0	106.4	P56 R60	P56-K58 PolarHBondContact O-N 3.49Å; K58-R60 PolarHBondContact O-N 2.94Å
59	I	43.3	Very low	55.6	Low	150 Å²	150	143.6 Å²	143.6	77%	0.769	70%	0.7	S	S	*	*			trans	-56.4	112.5	162	-63.9	171.3	0	0	0	103.3	K57 I61	K57-I59 PolarHBondContact O-N 2.88Å; I59-I61 PolarHBondContact O-N 3.49Å
60	R	41.5	Very low	58.8	Low	233 Å²	233	134.5 Å²	134.5	88%	0.879	66%	0.657	S	S	*	*			trans	-65.1	93.9	171.7	-156.6	-179.3	-170.2	-175.2	1	104	K58 D62	K58-R60 PolarHBondContact O-N 2.94Å; R60-D62 PolarHBondContact O-N 3.15Å
61	I	44.8	Very low	61.8	Low	145 Å²	145	124.9 Å²	124.9	74%	0.744	62%	0.621	S	S	*	*			trans	-59.9	105.7	161.1	-59.2	173.1	0	0	0	101.8	I59 E63	I59-I61 PolarHBondContact O-N 3.49Å; I61-E63 PolarHBondContact O-N 3.06Å
62	D	54	Low	64.7	Low	129 Å²	129	115.4 Å²	115.4	69%	0.69	58%	0.58	S	S	*	*			trans	-53.8	114	166.1	-147	11.5	0	0	0	103.9	R60 M64	R60-D62 PolarHBondContact O-N 3.15Å; D62-M64 PolarHBondContact O-N 3.34Å
63	E	51.7	Low	67.5	Low	172 Å²	172	111.4 Å²	111.4	80%	0.804	56%	0.561	S	S	*	*			trans	-58.5	97.8	165.9	-79.6	178.3	154.7	0	0	103.6	I61 T65	I61-E63 PolarHBondContact O-N 3.06Å; E63-T65 PolarHBondContact O-N 3.06Å
64	M	63	Low	70	Confident	170 Å²	170	107.4 Å²	107.4	84%	0.837	54%	0.536	S	S	*	.			trans	-64	91.8	176.7	-68.3	-164.5	-48	0	0	105.5	D62 I66	D62-M64 PolarHBondContact O-N 3.34Å; M64-I66 PolarHBondContact O-N 3.5Å; M64-I66 VanDerWaalsContact O-N 3.12Å
65	T	79.6	Confident	72.4	Confident	102 Å²	102	106.1 Å²	106.1	63%	0.626	52%	0.523	S	S	*	.	P	Polyproline II helix	trans	-56	120.7	175.8	51.9	0	0	0	0	106.3	E63 K67	E63-T65 PolarHBondContact O-N 3.06Å; T65-K67 PolarHBondContact O-N 2.99Å; T65-K67 VanDerWaalsContact O-N 3.11Å
66	I	90.9	Very high	74.8	Confident	115 Å²	115	98.6 Å²	98.6	59%	0.59	49%	0.488	S	S	*	.	P	Polyproline II helix	trans	-54.3	121.6	176.7	-65.3	172.7	0	0	0	107.2	M64 E95 E97	M64-I66 PolarHBondContact O-N 3.5Å; M64-I66 VanDerWaalsContact O-N 3.12Å; I66-E95 WeakPolarHBondContact CG2-O 3.48Å; I66-E97 HydrophobicContact CG2-CB 4.24Å
67	K	97.7	Very high	77.5	Confident	73 Å²	73	96.7 Å²	96.7	32%	0.317	47%	0.469	S	S	.	.	P	Polyproline II helix	trans	-63.4	149.5	178.7	-68.8	-64.2	-177.1	-179.2	0	110.4	T65 E92 Y93 A96 E97 D111	T65-K67 PolarHBondContact O-N 2.99Å; T65-K67 VanDerWaalsContact O-N 3.11Å; K67-E92 WeakPolarHBondContact CG-O 3.44Å; K67-Y93 HydrophobicContact CB-CD1 3.8Å; K67-Y93 HydrophobicContact CB-CE1 4.2Å; K67-Y93 HydrophobicContact CG-CD1 4.23Å; K67-Y93 HydrophobicContact CG-CE1 4.4Å; K67-A96 HydrophobicContact CB-CB 4.01Å; K67-A96 CarbonylContact O-C 3.55Å; K67-A96 WeakPolarHBondContact O-CA 3.28Å; K67-A96 VanDerWaalsContact O-CB 3.3Å; K67-A96 WeakPolarHBondContact O-CB 3.2Å; K67-E97 PolarHBondContact O-N 3.37Å; K67-D111 VanDerWaalsContact CA-OD2 3.28Å; K67-D111 WeakPolarHBondContact CA-OD2 3.47Å; K67-D111 HydrophobicContact CD-CB 3.99Å; K67-D111 WeakPolarHBondContact CD-OD1 3.48Å; K67-D111 WeakPolarHBondContact CD-OD2 3.43Å; K67-D111 IonicContact NZ-OD1 2.74Å; K67-D111 PolarHBondContact NZ-OD1 3.44Å
68	K	98.5	Very high	80.2	Confident	63 Å²	63	87.5 Å²	87.5	27%	0.274	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	126.9	179.8	-70.5	177.3	176.9	-177.8	0	111.3	E97 V99 C110 D111 I112	K68-E97 CarbonylContact C-O 3.42Å; K68-E97 WeakPolarHBondContact CA-O 3.16Å; K68-E97 HydrophobicContact CG-CB 4.42Å; K68-V99 HydrophobicContact CB-CG2 4.15Å; K68-V99 HydrophobicContact CD-CG2 4.14Å; K68-V99 HydrophobicContact CG-CG2 4.06Å; K68-C110 HydrophobicContact CB-CB 4.24Å; K68-D111 PolarHBondContact N-OD2 3.17Å; K68-D111 PolarHBondContact O-N 2.87Å; K68-I112 PolarHBondContact O-N 3.39Å
69	I	98.8	Very high	82.9	Confident	0 Å²	0	77.9 Å²	77.9	0%	0	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	110	170.6	-58	167.1	0	0	0	107.4	L87 R88 Y93 A96 E97 I98 V99 I112 V114	I69-L87 HydrophobicContact CD1-CB 3.81Å; I69-L87 HydrophobicContact CD1-CD1 4.31Å; I69-L87 HydrophobicContact CG1-CD1 4.34Å; I69-L87 HydrophobicContact CG2-CD1 3.99Å; I69-R88 HydrophobicContact CD1-CG 3.91Å; I69-Y93 HydrophobicContact CG1-CD1 4.4Å; I69-A96 HydrophobicContact CD1-CB 3.78Å; I69-A96 HydrophobicContact CG1-CB 3.88Å; I69-E97 PolarHBondContact N-O 3.3Å; I69-I98 HydrophobicContact CB-CG1 4.5Å; I69-I98 CarbonylContact O-C 3.53Å; I69-I98 WeakPolarHBondContact O-CA 3.41Å; I69-V99 PolarHBondContact O-N 2.91Å; I69-I112 CarbonylContact C-O 3.54Å; I69-I112 WeakPolarHBondContact CA-O 3.32Å; I69-I112 HydrophobicContact CB-CG2 4.19Å; I69-I112 HydrophobicContact CG1-CG2 3.72Å; I69-I112 HydrophobicContact CG2-CG2 4.29Å; I69-V114 HydrophobicContact CG2-CG2 4.36Å
70	G	98.8	Very high	85.6	Confident	0 Å²	0	70.8 Å²	70.8	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	134.5	175.9	0	0	0	0	0	111.8	V99 I112 V113 V114	G70-V99 WeakPolarHBondContact CA-O 3.31Å; G70-I112 PolarHBondContact N-O 2.89Å; G70-V113 CarbonylContact O-C 3.54Å; G70-V113 WeakPolarHBondContact O-CA 3.34Å; G70-V114 PolarHBondContact O-N 3.49Å
71	T	98.8	Very high	88.3	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	174.8	169.2	-170.2	0	0	0	0	110.8	E80 I98 V99 R100 T101 V114 F238	T71-E80 WeakPolarHBondContact OG1-CB 3.44Å; T71-I98 HydrophobicContact CG2-CG2 4.03Å; T71-V99 PolarHBondContact N-O 3.03Å; T71-R100 HydrophobicContact CG2-CG 3.85Å; T71-R100 CarbonylContact O-C 3.45Å; T71-R100 VanDerWaalsContact O-CA 3.28Å; T71-R100 WeakPolarHBondContact O-CA 3.48Å; T71-T101 PolarHBondContact O-N 3.04Å; T71-V114 WeakPolarHBondContact CA-O 3.04Å; T71-V114 WeakPolarHBondContact CB-O 3.17Å; T71-V114 PolarHBondContact OG1-O 3.27Å; T71-V114 VanDerWaalsContact OG1-O 3.12Å; T71-F238 HydrophobicContact CG2-CZ 4.49Å
72	H	98.3	Very high	90.9	Very high	8 Å²	8	52.8 Å²	52.8	4%	0.037	27%	0.274	C	S	.	.			trans	-75.2	157.6	-176.7	73.6	43.3	0	0	0	113.7	G74 T75 H77 E80 R102 D115 V116	H72-G74 PolarHBondContact ND1-N 2.64Å; H72-T75 PolarHBondContact CE1-O 2.96Å; H72-H77 AromaticContact NE2-ND1 3.79Å; H72-E80 IonicContact CE1-OE1 2.7Å; H72-E80 PolarHBondContact CE1-OE1 3.49Å; H72-E80 IonicContact ND1-OE1 3.66Å; H72-E80 IonicContact NE2-OE1 3.32Å; H72-R102 HydrophobicContact CB-CG 4.24Å; H72-D115 PolarHBondContact CD2-O 3.17Å; H72-D115 IonicContact CD2-OD2 3.54Å; H72-D115 PolarHBondContact CD2-OD2 3Å; H72-D115 IonicContact NE2-OD2 3.81Å; H72-D115 PolarHBondContact NE2-OD2 3.37Å; H72-D115 VanDerWaalsContact NE2-OD2 3.17Å; H72-V116 HydrophobicContact CB-CB 4.05Å; H72-V116 HydrophobicContact CB-CG2 3.98Å
73	N	96.2	Very high	93	Very high	84 Å²	84	46.6 Å²	46.6	45%	0.449	24%	0.241	S	C	.	.			trans	-104.4	22.5	179.3	65.1	-23.8	0	0	0	114.4	R100 R102	N73-R100 HydrophobicContact CB-CB 4.17Å; N73-R100 WeakPolarHBondContact CB-O 3.45Å; N73-R102 PolarHBondContact OD1-NH1 3.05Å
74	G	94.6	Very high	95.3	Very high	16 Å²	16	38.4 Å²	38.4	17%	0.165	20%	0.203	C	C	.	.	S	Bend	trans	-86.3	-163.5	177.4	0	0	0	0	0	113.5	H72 F76 R100 R102	H72-G74 PolarHBondContact ND1-N 2.64Å; G74-F76 PolarHBondContact O-N 3.33Å; G74-R100 PolarHBondContact O-NH2 2.94Å; G74-R102 VanDerWaalsContact N-NH1 3.1Å
75	T	96.5	Very high	97	Very high	90 Å²	90	31.1 Å²	31.1	55%	0.552	17%	0.166	S	C	*	.	S	Bend	trans	-48.5	125.5	156.4	-62.3	0	0	0	0	108.1	H72 H77 N224	H72-T75 PolarHBondContact CE1-O 2.96Å; T75-H77 PolarHBondContact O-CE1 3.47Å; T75-N224 WeakPolarHBondContact CA-OD1 3.13Å; T75-N224 HydrophobicContact CG2-CB 4.42Å
76	F	98.4	Very high	97.9	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.137	C	C	.	.			trans	-92.6	147.7	-178	58.9	-97.4	0	0	0	112.4	G74 E80 V81 V220 L223 N224 T234 F238 A241	G74-F76 PolarHBondContact O-N 3.33Å; F76-E80 WeakPolarHBondContact CA-OE1 3.44Å; F76-E80 WeakPolarHBondContact CB-OE1 3.47Å; F76-V81 HydrophobicContact CD2-CG2 4.09Å; F76-V220 HydrophobicContact CD2-CG1 3.7Å; F76-V220 HydrophobicContact CE2-CG1 3.8Å; F76-V220 WeakPolarHBondContact CE2-O 2.86Å; F76-L223 HydrophobicContact CE2-CB 4.05Å; F76-L223 HydrophobicContact CZ-CB 3.8Å; F76-N224 WeakPolarHBondContact CD1-OD1 3.18Å; F76-N224 VanDerWaalsContact CE1-OD1 3.27Å; F76-N224 WeakPolarHBondContact CE1-OD1 3.37Å; F76-N224 PolarHBondContact N-OD1 3.19Å; F76-N224 PolarHBondContact O-ND2 2.92Å; F76-T234 HydrophobicContact CD1-CG2 4.49Å; F76-T234 WeakPolarHBondContact CE1-O 3.43Å; F76-F238 HydrophobicContact CB-CD2 3.71Å; F76-F238 HydrophobicContact CB-CE2 4.2Å; F76-F238 HydrophobicContact CD1-CB 4.02Å; F76-F238 HydrophobicContact CD1-CD2 4.1Å; F76-F238 HydrophobicContact CD2-CD2 4.35Å; F76-F238 HydrophobicContact CE1-CB 4.12Å; F76-F238 HydrophobicContact CG-CB 4.45Å; F76-F238 AromaticContact CG-CD2 3.8Å; F76-F238 HydrophobicContact CG-CD2 3.8Å; F76-A241 HydrophobicContact CD2-CB 4.26Å; F76-A241 HydrophobicContact CE2-CB 3.73Å; F76-A241 HydrophobicContact CZ-CB 4.47Å
77	H	98.7	Very high	98.3	Very high	80 Å²	80	21 Å²	21	37%	0.37	11%	0.109	S	C	.	.			trans	-112.4	176.6	-179.9	-50	106	0	0	0	110.5	H72 T75 E80 V81 V220	H72-H77 AromaticContact NE2-ND1 3.79Å; T75-H77 PolarHBondContact O-CE1 3.47Å; H77-E80 VanDerWaalsContact CA-OE2 3.26Å; H77-E80 WeakPolarHBondContact CA-OE2 3.31Å; H77-E80 VanDerWaalsContact CB-OE2 3.32Å; H77-E80 WeakPolarHBondContact CB-OE2 3.46Å; H77-E80 VanDerWaalsContact N-CD 3.28Å; H77-E80 PolarHBondContact N-OE1 2.9Å; H77-E80 PolarHBondContact N-OE2 2.9Å; H77-V81 WeakPolarHBondContact O-CB 3.22Å; H77-V81 WeakPolarHBondContact O-CG2 3.41Å; H77-V220 WeakPolarHBondContact O-CG1 3.49Å
78	C	98.8	Very high	98.3	Very high	5 Å²	5	21.6 Å²	21.6	3%	0.034	11%	0.11	C	C	.	.	H	α-helix	trans	-71.7	-24.1	175.4	-164.3	0	0	0	0	111.4	L82 V194 S217 V220	C78-L82 WeakPolarHBondContact O-CB 3.42Å; C78-L82 PolarHBondContact O-N 2.91Å; C78-V194 HydrophobicContact CB-CG1 4.17Å; C78-S217 WeakPolarHBondContact CB-OG 3.09Å; C78-V220 HydrophobicContact CB-CB 4.34Å; C78-V220 HydrophobicContact CB-CG2 4.18Å
79	D	98.8	Very high	98.3	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.005	11%	0.107	C	C	.	.	H	α-helix	trans	-58.8	-67.5	-176.7	-175.3	39.9	0	0	0	112.1	V81 L82 A83 S152 S153 A154 V194 D198	D79-V81 VanDerWaalsContact C-N 3.26Å; D79-V81 PolarHBondContact O-N 3.35Å; D79-L82 PolarHBondContact O-N 2.9Å; D79-L82 VanDerWaalsContact O-N 3.16Å; D79-A83 WeakPolarHBondContact O-CB 3.2Å; D79-A83 PolarHBondContact O-N 3.19Å; D79-S152 VanDerWaalsContact CG-CB 3.41Å; D79-S152 VanDerWaalsContact CG-OG 3.24Å; D79-S152 WeakPolarHBondContact OD1-CB 3.34Å; D79-S152 PolarHBondContact OD1-OG 3.04Å; D79-S153 PolarHBondContact OD1-N 3.46Å; D79-S153 WeakPolarHBondContact OD2-CA 3.25Å; D79-S153 WeakPolarHBondContact OD2-CB 3.32Å; D79-S153 PolarHBondContact OD2-N 3.04Å; D79-S153 PolarHBondContact OD2-OG 3.3Å; D79-A154 WeakPolarHBondContact O-CB 3.36Å; D79-A154 WeakPolarHBondContact OD1-CA 3.37Å; D79-A154 WeakPolarHBondContact OD1-CB 3.4Å; D79-A154 PolarHBondContact OD1-N 3.29Å; D79-V194 HydrophobicContact CB-CG1 4.37Å; D79-D198 HydrophobicContact CB-CB 4.19Å
80	E	98.8	Very high	98.3	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-69.5	-27.6	-176	79.2	-79.7	-159.1	0	0	112.4	T71 H72 F76 H77 C84 V114 D115 F238	T71-E80 WeakPolarHBondContact OG1-CB 3.44Å; H72-E80 IonicContact CE1-OE1 2.7Å; H72-E80 PolarHBondContact CE1-OE1 3.49Å; H72-E80 IonicContact ND1-OE1 3.66Å; H72-E80 IonicContact NE2-OE1 3.32Å; F76-E80 WeakPolarHBondContact CA-OE1 3.44Å; F76-E80 WeakPolarHBondContact CB-OE1 3.47Å; H77-E80 VanDerWaalsContact CA-OE2 3.26Å; H77-E80 WeakPolarHBondContact CA-OE2 3.31Å; H77-E80 VanDerWaalsContact CB-OE2 3.32Å; H77-E80 WeakPolarHBondContact CB-OE2 3.46Å; H77-E80 VanDerWaalsContact N-CD 3.28Å; H77-E80 PolarHBondContact N-OE1 2.9Å; H77-E80 PolarHBondContact N-OE2 2.9Å; E80-C84 VanDerWaalsContact O-CB 3.28Å; E80-C84 WeakPolarHBondContact O-CB 3.4Å; E80-C84 PolarHBondContact O-N 3.14Å; E80-C84 PolarHBondContact O-SG 3.14Å; E80-V114 HydrophobicContact CB-CG2 4.49Å; E80-D115 HydrophobicContact CB-CB 3.54Å; E80-F238 HydrophobicContact CG-CE2 4.12Å
81	V	98.9	Very high	98.1	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-64.2	-47.1	173.1	173.6	0	0	0	0	110.4	F76 H77 D79 F85 V220 F238 A241 L242 V245	F76-V81 HydrophobicContact CD2-CG2 4.09Å; H77-V81 WeakPolarHBondContact O-CB 3.22Å; H77-V81 WeakPolarHBondContact O-CG2 3.41Å; D79-V81 VanDerWaalsContact C-N 3.26Å; D79-V81 PolarHBondContact O-N 3.35Å; V81-F85 PolarHBondContact O-N 3.5Å; V81-V220 HydrophobicContact CG2-CG1 4.42Å; V81-F238 HydrophobicContact CG2-CD2 3.85Å; V81-F238 HydrophobicContact CG2-CE2 3.55Å; V81-F238 HydrophobicContact CG2-CZ 4.19Å; V81-A241 HydrophobicContact CG1-CB 3.94Å; V81-A241 HydrophobicContact CG2-CB 4.07Å; V81-L242 HydrophobicContact CG1-CB 4.36Å; V81-L242 HydrophobicContact CG1-CD1 4.34Å; V81-L242 WeakPolarHBondContact O-CD1 3.32Å; V81-V245 HydrophobicContact CG1-CB 4Å; V81-V245 HydrophobicContact CG1-CG1 4.41Å; V81-V245 HydrophobicContact CG1-CG2 3.8Å
82	L	98.9	Very high	98	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-67.9	-42.6	178.3	-177.1	60.6	0	0	0	111.3	C78 D79 C84 F85 F86 A154 F190 V194 V245	C78-L82 WeakPolarHBondContact O-CB 3.42Å; C78-L82 PolarHBondContact O-N 2.91Å; D79-L82 PolarHBondContact O-N 2.9Å; D79-L82 VanDerWaalsContact O-N 3.16Å; L82-C84 PolarHBondContact O-N 3.13Å; L82-F85 HydrophobicContact CD1-CD1 4.37Å; L82-F85 WeakPolarHBondContact O-CB 3.42Å; L82-F85 PolarHBondContact O-N 2.71Å; L82-F85 VanDerWaalsContact O-N 3.16Å; L82-F86 HydrophobicContact CD1-CD1 4.09Å; L82-F86 HydrophobicContact CD1-CE1 3.48Å; L82-F86 VanDerWaalsContact CD1-CE1 3.48Å; L82-F86 HydrophobicContact CD1-CE2 3.97Å; L82-F86 HydrophobicContact CD1-CZ 3.42Å; L82-F86 VanDerWaalsContact CD1-CZ 3.42Å; L82-F86 HydrophobicContact CD2-CE2 3.92Å; L82-F86 HydrophobicContact CD2-CZ 3.82Å; L82-F86 HydrophobicContact CG-CD2 4.16Å; L82-F86 HydrophobicContact CG-CE1 4.07Å; L82-F86 HydrophobicContact CG-CE2 3.59Å; L82-F86 HydrophobicContact CG-CZ 3.56Å; L82-F86 WeakPolarHBondContact O-CG 3.3Å; L82-F86 PolarHBondContact O-N 2.88Å; L82-A154 HydrophobicContact CB-CB 4.09Å; L82-A154 HydrophobicContact CD2-CB 4.05Å; L82-A154 HydrophobicContact CG-CB 4.19Å; L82-F190 HydrophobicContact CD1-CE1 4.04Å; L82-F190 HydrophobicContact CD2-CD1 4.32Å; L82-F190 HydrophobicContact CD2-CE1 4.05Å; L82-V194 HydrophobicContact CD2-CB 4.3Å; L82-V194 HydrophobicContact CD2-CG1 4.38Å; L82-V194 HydrophobicContact CD2-CG2 3.92Å; L82-V245 HydrophobicContact CB-CG1 3.89Å; L82-V245 HydrophobicContact CD1-CG1 3.51Å; L82-V245 HydrophobicContact CG-CG1 4.27Å
83	A	98.9	Very high	98	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-56.9	-47.8	175	0	0	0	0	0	111.7	D79 F85 F86 L87 V114 A154 V157	D79-A83 WeakPolarHBondContact O-CB 3.2Å; D79-A83 PolarHBondContact O-N 3.19Å; A83-F85 VanDerWaalsContact C-N 3.35Å; A83-F85 PolarHBondContact O-N 3.45Å; A83-F86 PolarHBondContact O-N 3.45Å; A83-L87 WeakPolarHBondContact O-CG 3.36Å; A83-L87 PolarHBondContact O-N 2.79Å; A83-L87 VanDerWaalsContact O-N 3.08Å; A83-V114 HydrophobicContact CB-CB 4.16Å; A83-V114 HydrophobicContact CB-CG1 4.2Å; A83-V114 HydrophobicContact CB-CG2 4.16Å; A83-A154 HydrophobicContact CB-CB 4.44Å; A83-V157 HydrophobicContact CB-CB 4.45Å; A83-V157 HydrophobicContact CB-CG2 4.11Å
84	C	98.9	Very high	98	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-62.1	-40.9	175.5	-71.9	0	0	0	0	112.1	E80 L82 R88 I98 L242	E80-C84 VanDerWaalsContact O-CB 3.28Å; E80-C84 WeakPolarHBondContact O-CB 3.4Å; E80-C84 PolarHBondContact O-N 3.14Å; E80-C84 PolarHBondContact O-SG 3.14Å; L82-C84 PolarHBondContact O-N 3.13Å; C84-R88 WeakPolarHBondContact O-CB 3.45Å; C84-R88 WeakPolarHBondContact O-CG 3.28Å; C84-R88 PolarHBondContact O-N 3.01Å; C84-R88 VanDerWaalsContact O-N 3.11Å; C84-I98 HydrophobicContact CB-CD1 3.87Å; C84-L242 HydrophobicContact CB-CD1 3.95Å
85	F	98.9	Very high	98.1	Very high	16 Å²	16	32.6 Å²	32.6	7%	0.07	17%	0.167	C	C	.	.	H	α-helix	trans	-60.7	-48.4	177	170.7	-100.3	0	0	0	111.3	V81 L82 A83 R88 Q89 L242 G246 F249 L250	V81-F85 PolarHBondContact O-N 3.5Å; L82-F85 HydrophobicContact CD1-CD1 4.37Å; L82-F85 WeakPolarHBondContact O-CB 3.42Å; L82-F85 PolarHBondContact O-N 2.71Å; L82-F85 VanDerWaalsContact O-N 3.16Å; A83-F85 VanDerWaalsContact C-N 3.35Å; A83-F85 PolarHBondContact O-N 3.45Å; F85-R88 PolarHBondContact O-N 3.31Å; F85-Q89 HydrophobicContact CE1-CG 4.17Å; F85-Q89 HydrophobicContact CE2-CG 4.43Å; F85-Q89 HydrophobicContact CZ-CG 4.04Å; F85-Q89 WeakPolarHBondContact O-CG 3.42Å; F85-Q89 PolarHBondContact O-N 3.12Å; F85-Q89 PolarHBondContact O-NE2 2.88Å; F85-L242 HydrophobicContact CB-CD1 3.85Å; F85-G246 VanDerWaalsContact CZ-CA 3.42Å; F85-F249 HydrophobicContact CE1-CB 4.1Å; F85-F249 AromaticContact CE1-CD1 3.75Å; F85-F249 HydrophobicContact CE1-CD1 3.75Å; F85-F249 HydrophobicContact CE1-CG 4.18Å; F85-L250 HydrophobicContact CZ-CD1 4.11Å; F85-L250 HydrophobicContact CZ-CD2 4.29Å; F85-L250 HydrophobicContact CZ-CG 3.92Å
86	F	98.9	Very high	98.2	Very high	3 Å²	3	28.6 Å²	28.6	1%	0.013	14%	0.143	C	C	.	.	H	α-helix	trans	-57.9	-49.9	178.6	-71.6	-20.5	0	0	0	112.6	L82 A83 R88 Q89 V157 Y158 L165 V191 F249	L82-F86 HydrophobicContact CD1-CD1 4.09Å; L82-F86 HydrophobicContact CD1-CE1 3.48Å; L82-F86 VanDerWaalsContact CD1-CE1 3.48Å; L82-F86 HydrophobicContact CD1-CE2 3.97Å; L82-F86 HydrophobicContact CD1-CZ 3.42Å; L82-F86 VanDerWaalsContact CD1-CZ 3.42Å; L82-F86 HydrophobicContact CD2-CE2 3.92Å; L82-F86 HydrophobicContact CD2-CZ 3.82Å; L82-F86 HydrophobicContact CG-CD2 4.16Å; L82-F86 HydrophobicContact CG-CE1 4.07Å; L82-F86 HydrophobicContact CG-CE2 3.59Å; L82-F86 HydrophobicContact CG-CZ 3.56Å; L82-F86 WeakPolarHBondContact O-CG 3.3Å; L82-F86 PolarHBondContact O-N 2.88Å; A83-F86 PolarHBondContact O-N 3.45Å; F86-R88 VanDerWaalsContact C-N 3.29Å; F86-R88 PolarHBondContact O-N 3.47Å; F86-Q89 WeakPolarHBondContact O-CB 3.49Å; F86-Q89 PolarHBondContact O-N 3.31Å; F86-V157 HydrophobicContact CB-CG1 3.91Å; F86-V157 HydrophobicContact CD2-CG1 4.27Å; F86-Y158 HydrophobicContact CD2-CD2 4.21Å; F86-Y158 AromaticContact CE2-CD2 3.61Å; F86-Y158 HydrophobicContact CE2-CD2 3.61Å; F86-Y158 HydrophobicContact CE2-CG 4.24Å; F86-Y158 AromaticContact CZ-CD2 3.8Å; F86-Y158 HydrophobicContact CZ-CD2 3.8Å; F86-Y158 HydrophobicContact CZ-CE2 4.34Å; F86-L165 HydrophobicContact CB-CD2 3.98Å; F86-L165 HydrophobicContact CD1-CD2 3.38Å; F86-L165 HydrophobicContact CD2-CD2 4.39Å; F86-L165 HydrophobicContact CE1-CD2 3.87Å; F86-L165 HydrophobicContact CG-CD2 3.68Å; F86-V191 HydrophobicContact CE2-CG2 4.21Å; F86-V191 HydrophobicContact CZ-CG2 3.92Å; F86-F249 HydrophobicContact CD1-CE1 4.49Å; F86-F249 HydrophobicContact CD1-CZ 4.46Å; F86-F249 AromaticContact CE1-CD1 3.99Å; F86-F249 HydrophobicContact CE1-CD1 3.99Å; F86-F249 AromaticContact CE1-CD2 3.55Å; F86-F249 HydrophobicContact CE1-CD2 3.55Å; F86-F249 AromaticContact CE1-CE1 3.86Å; F86-F249 HydrophobicContact CE1-CE1 3.86Å; F86-F249 AromaticContact CE1-CE2 3.41Å; F86-F249 HydrophobicContact CE1-CE2 3.41Å; F86-F249 VanDerWaalsContact CE1-CE2 3.41Å; F86-F249 AromaticContact CE1-CG 3.83Å; F86-F249 HydrophobicContact CE1-CG 3.83Å; F86-F249 AromaticContact CE1-CZ 3.56Å; F86-F249 HydrophobicContact CE1-CZ 3.56Å; F86-F249 AromaticContact CZ-CD2 3.87Å; F86-F249 HydrophobicContact CZ-CD2 3.87Å; F86-F249 AromaticContact CZ-CE2 3.61Å; F86-F249 HydrophobicContact CZ-CE2 3.61Å; F86-F249 HydrophobicContact CZ-CZ 4.1Å
87	L	98.8	Very high	98.1	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.005	17%	0.166	C	C	.	.	H	α-helix	trans	-58.1	-45.2	179.3	-68.6	172.8	0	0	0	110.7	I69 A83 Q89 L90 Y93 I112 V114 V157 F161	I69-L87 HydrophobicContact CD1-CB 3.81Å; I69-L87 HydrophobicContact CD1-CD1 4.31Å; I69-L87 HydrophobicContact CG1-CD1 4.34Å; I69-L87 HydrophobicContact CG2-CD1 3.99Å; A83-L87 WeakPolarHBondContact O-CG 3.36Å; A83-L87 PolarHBondContact O-N 2.79Å; A83-L87 VanDerWaalsContact O-N 3.08Å; L87-Q89 PolarHBondContact O-N 2.68Å; L87-L90 HydrophobicContact CD2-CD1 4.44Å; L87-L90 WeakPolarHBondContact O-CB 3.41Å; L87-L90 PolarHBondContact O-N 3.33Å; L87-Y93 HydrophobicContact CB-CD2 4.44Å; L87-Y93 HydrophobicContact CD2-CD2 4.32Å; L87-Y93 HydrophobicContact CD2-CE2 4.33Å; L87-Y93 VanDerWaalsContact O-CB 3.29Å; L87-Y93 WeakPolarHBondContact O-CB 3.32Å; L87-I112 HydrophobicContact CD1-CD1 3.6Å; L87-I112 HydrophobicContact CD1-CG1 3.97Å; L87-I112 HydrophobicContact CD1-CG2 4Å; L87-I112 HydrophobicContact CD2-CD1 3.49Å; L87-I112 VanDerWaalsContact CD2-CD1 3.49Å; L87-I112 HydrophobicContact CG-CD1 4.19Å; L87-V114 HydrophobicContact CD1-CG1 3.92Å; L87-V157 HydrophobicContact CD1-CG2 4.45Å; L87-V157 HydrophobicContact CD2-CG1 3.89Å; L87-V157 HydrophobicContact CG-CG1 3.95Å; L87-F161 HydrophobicContact CD2-CD2 4.17Å; L87-F161 HydrophobicContact CD2-CE2 4.22Å; L87-F161 HydrophobicContact CD2-CG 4.49Å
88	R	98.5	Very high	98.1	Very high	87 Å²	87	31.3 Å²	31.3	33%	0.328	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-5.7	178.8	-72.6	-166.9	67.2	-173.7	2	115.5	I69 C84 F85 F86 A94	I69-R88 HydrophobicContact CD1-CG 3.91Å; C84-R88 WeakPolarHBondContact O-CB 3.45Å; C84-R88 WeakPolarHBondContact O-CG 3.28Å; C84-R88 PolarHBondContact O-N 3.01Å; C84-R88 VanDerWaalsContact O-N 3.11Å; F85-R88 PolarHBondContact O-N 3.31Å; F86-R88 VanDerWaalsContact C-N 3.29Å; F86-R88 PolarHBondContact O-N 3.47Å; R88-A94 PolarHBondContact NE-O 3.04Å; R88-A94 PolarHBondContact NH2-O 2.96Å; R88-A94 WeakPolarHBondContact O-CA 3.48Å
89	Q	98.1	Very high	98.1	Very high	48 Å²	48	32 Å²	32	22%	0.224	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-17.1	170	-52.6	-43.1	-68.6	0	0	112.4	F85 F86 L87 L165 Q168 L169	F85-Q89 HydrophobicContact CE1-CG 4.17Å; F85-Q89 HydrophobicContact CE2-CG 4.43Å; F85-Q89 HydrophobicContact CZ-CG 4.04Å; F85-Q89 WeakPolarHBondContact O-CG 3.42Å; F85-Q89 PolarHBondContact O-N 3.12Å; F85-Q89 PolarHBondContact O-NE2 2.88Å; F86-Q89 WeakPolarHBondContact O-CB 3.49Å; F86-Q89 PolarHBondContact O-N 3.31Å; L87-Q89 PolarHBondContact O-N 2.68Å; Q89-L165 HydrophobicContact CB-CD1 3.29Å; Q89-L165 HydrophobicContact CG-CD1 3.49Å; Q89-L165 VanDerWaalsContact CG-CD1 3.49Å; Q89-Q168 WeakPolarHBondContact O-CG 3.42Å; Q89-L169 HydrophobicContact CB-CD2 4.27Å; Q89-L169 HydrophobicContact CB-CG 4.49Å; Q89-L169 HydrophobicContact CG-CD1 4.37Å; Q89-L169 HydrophobicContact CG-CD2 4.25Å
90	L	97.9	Very high	98.1	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.01	17%	0.167	C	C	.	.	S	Bend	trans	-79.1	140.7	178.5	-60.7	173.9	0	0	0	110.5	L87 E92 Y93 A94 F161 R164 L165	L87-L90 HydrophobicContact CD2-CD1 4.44Å; L87-L90 WeakPolarHBondContact O-CB 3.41Å; L87-L90 PolarHBondContact O-N 3.33Å; L90-E92 VanDerWaalsContact C-N 3.27Å; L90-E92 PolarHBondContact O-N 3.38Å; L90-Y93 HydrophobicContact CB-CD2 4.24Å; L90-Y93 HydrophobicContact CD1-CD2 4.16Å; L90-Y93 HydrophobicContact CD1-CE2 4.47Å; L90-Y93 CarbonylContact O-C 3.47Å; L90-Y93 PolarHBondContact O-N 3.16Å; L90-A94 PolarHBondContact O-N 3.05Å; L90-F161 HydrophobicContact CD1-CB 4.09Å; L90-F161 HydrophobicContact CD1-CD1 3.63Å; L90-F161 HydrophobicContact CD1-CE1 4.35Å; L90-F161 HydrophobicContact CD1-CG 4.07Å; L90-R164 HydrophobicContact CD2-CB 3.92Å; L90-L165 HydrophobicContact CD2-CB 4.43Å
91	P	96.4	Very high	98.1	Very high	81 Å²	81	34.8 Å²	34.8	53%	0.526	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-54	-40.1	-176.4	-28	35.5	0	0	0	114.3	Y93	P91-Y93 VanDerWaalsContact C-N 3.27Å; P91-Y93 PolarHBondContact O-N 3.2Å
92	E	95.9	Very high	98	Very high	74 Å²	74	41.3 Å²	41.3	35%	0.346	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-67.9	-23.4	-179.7	61	-94.6	-140.2	0	0	113.8	K67 L90 R164	K67-E92 WeakPolarHBondContact CG-O 3.44Å; L90-E92 VanDerWaalsContact C-N 3.27Å; L90-E92 PolarHBondContact O-N 3.38Å; E92-R164 IonicContact OE1-CZ 2.75Å; E92-R164 VanDerWaalsContact OE1-CZ 3.27Å; E92-R164 IonicContact OE1-NH1 3.57Å; E92-R164 PolarHBondContact OE1-NH1 3.1Å; E92-R164 IonicContact OE1-NH2 2.89Å; E92-R164 PolarHBondContact OE1-NH2 2.78Å; E92-R164 IonicContact OE2-NH2 2.81Å; E92-R164 PolarHBondContact OE2-NH2 2.9Å
93	Y	97.8	Very high	98	Very high	13 Å²	13	45.4 Å²	45.4	5%	0.051	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-117	6.2	-176.7	-60.1	-67.8	0	0	0	113.5	K67 I69 L87 L90 P91 E95 A96 D111 I112	K67-Y93 HydrophobicContact CB-CD1 3.8Å; K67-Y93 HydrophobicContact CB-CE1 4.2Å; K67-Y93 HydrophobicContact CG-CD1 4.23Å; K67-Y93 HydrophobicContact CG-CE1 4.4Å; I69-Y93 HydrophobicContact CG1-CD1 4.4Å; L87-Y93 HydrophobicContact CB-CD2 4.44Å; L87-Y93 HydrophobicContact CD2-CD2 4.32Å; L87-Y93 HydrophobicContact CD2-CE2 4.33Å; L87-Y93 VanDerWaalsContact O-CB 3.29Å; L87-Y93 WeakPolarHBondContact O-CB 3.32Å; L90-Y93 HydrophobicContact CB-CD2 4.24Å; L90-Y93 HydrophobicContact CD1-CD2 4.16Å; L90-Y93 HydrophobicContact CD1-CE2 4.47Å; L90-Y93 CarbonylContact O-C 3.47Å; L90-Y93 PolarHBondContact O-N 3.16Å; P91-Y93 VanDerWaalsContact C-N 3.27Å; P91-Y93 PolarHBondContact O-N 3.2Å; Y93-E95 VanDerWaalsContact C-N 3.26Å; Y93-E95 PolarHBondContact O-N 3.28Å; Y93-A96 HydrophobicContact CD1-CB 4.26Å; Y93-A96 WeakPolarHBondContact O-CB 3.41Å; Y93-A96 PolarHBondContact O-N 2.81Å; Y93-D111 HydrophobicContact CE1-CB 4.28Å; Y93-I112 HydrophobicContact CD1-CG2 4.2Å; Y93-I112 HydrophobicContact CE1-CB 4.35Å; Y93-I112 HydrophobicContact CE1-CG2 3.62Å
94	A	96.4	Very high	97.9	Very high	33 Å²	33	49 Å²	49	27%	0.273	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-44.6	-174.8	0	0	0	0	0	113	R88 L90	R88-A94 PolarHBondContact NE-O 3.04Å; R88-A94 PolarHBondContact NH2-O 2.96Å; R88-A94 WeakPolarHBondContact O-CA 3.48Å; L90-A94 PolarHBondContact O-N 3.05Å
95	E	96.3	Very high	97.9	Very high	151 Å²	151	52 Å²	52	71%	0.706	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.1	17.8	178	-56.7	-53.9	137	0	0	112.7	I66 Y93 E97	I66-E95 WeakPolarHBondContact CG2-O 3.48Å; Y93-E95 VanDerWaalsContact C-N 3.26Å; Y93-E95 PolarHBondContact O-N 3.28Å; E95-E97 PolarHBondContact O-N 3.36Å
96	A	97.9	Very high	97.9	Very high	6 Å²	6	53.6 Å²	53.6	5%	0.05	29%	0.286	C	S	.	.			trans	-62.9	138.6	-178.3	0	0	0	0	0	111.9	K67 I69 Y93	K67-A96 HydrophobicContact CB-CB 4.01Å; K67-A96 CarbonylContact O-C 3.55Å; K67-A96 WeakPolarHBondContact O-CA 3.28Å; K67-A96 VanDerWaalsContact O-CB 3.3Å; K67-A96 WeakPolarHBondContact O-CB 3.2Å; I69-A96 HydrophobicContact CD1-CB 3.78Å; I69-A96 HydrophobicContact CG1-CB 3.88Å; Y93-A96 HydrophobicContact CD1-CB 4.26Å; Y93-A96 WeakPolarHBondContact O-CB 3.41Å; Y93-A96 PolarHBondContact O-N 2.81Å
97	E	98.1	Very high	97.8	Very high	102 Å²	102	53.9 Å²	53.9	48%	0.477	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	128.7	169.9	-176.4	-174.7	-179.2	0	0	109.2	I66 K67 K68 I69 E95 V99	I66-E97 HydrophobicContact CG2-CB 4.24Å; K67-E97 PolarHBondContact O-N 3.37Å; K68-E97 CarbonylContact C-O 3.42Å; K68-E97 WeakPolarHBondContact CA-O 3.16Å; K68-E97 HydrophobicContact CG-CB 4.42Å; I69-E97 PolarHBondContact N-O 3.3Å; E95-E97 PolarHBondContact O-N 3.36Å; E97-V99 HydrophobicContact CG-CG2 4.02Å
98	I	98.6	Very high	97.8	Very high	35 Å²	35	57.3 Å²	57.3	18%	0.179	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	107.9	171.2	-59.1	173	0	0	0	108	I69 T71 C84 R100 F238 L242	I69-I98 HydrophobicContact CB-CG1 4.5Å; I69-I98 CarbonylContact O-C 3.53Å; I69-I98 WeakPolarHBondContact O-CA 3.41Å; T71-I98 HydrophobicContact CG2-CG2 4.03Å; C84-I98 HydrophobicContact CB-CD1 3.87Å; I98-R100 HydrophobicContact CG2-CG 4.03Å; I98-F238 HydrophobicContact CD1-CE1 4.12Å; I98-F238 HydrophobicContact CG2-CE1 4.09Å; I98-F238 HydrophobicContact CG2-CZ 4.33Å; I98-L242 HydrophobicContact CD1-CD2 3.92Å
99	V	98.5	Very high	97.7	Very high	20 Å²	20	59.3 Å²	59.3	12%	0.121	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	106.5	-179.6	-176.9	0	0	0	0	108.9	K68 I69 G70 T71 E97 T101 V106	K68-V99 HydrophobicContact CB-CG2 4.15Å; K68-V99 HydrophobicContact CD-CG2 4.14Å; K68-V99 HydrophobicContact CG-CG2 4.06Å; I69-V99 PolarHBondContact O-N 2.91Å; G70-V99 WeakPolarHBondContact CA-O 3.31Å; T71-V99 PolarHBondContact N-O 3.03Å; E97-V99 HydrophobicContact CG-CG2 4.02Å; V99-T101 HydrophobicContact CG1-CG2 4.09Å; V99-V106 HydrophobicContact CG1-CG1 3.74Å
100	R	98.2	Very high	97.8	Very high	35 Å²	35	57.3 Å²	57.3	13%	0.132	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	106.9	-179.4	-60	-178.1	66.7	-155.3	-0.7	110.5	T71 N73 G74 I98 T234 E235	T71-R100 HydrophobicContact CG2-CG 3.85Å; T71-R100 CarbonylContact O-C 3.45Å; T71-R100 VanDerWaalsContact O-CA 3.28Å; T71-R100 WeakPolarHBondContact O-CA 3.48Å; N73-R100 HydrophobicContact CB-CB 4.17Å; N73-R100 WeakPolarHBondContact CB-O 3.45Å; G74-R100 PolarHBondContact O-NH2 2.94Å; I98-R100 HydrophobicContact CG2-CG 4.03Å; R100-T234 PolarHBondContact NH1-OG1 3.39Å; R100-T234 PolarHBondContact NH2-OG1 3.35Å; R100-E235 IonicContact NH1-OE2 3.18Å; R100-E235 PolarHBondContact NH1-OE2 3.18Å
101	T	98.1	Very high	97.8	Very high	23 Å²	23	59.7 Å²	59.7	14%	0.141	33%	0.333	C	S	.	.			trans	-160.9	163.1	-176.9	-172.4	0	0	0	0	112.3	T71 V99 D103 V106 L107	T71-T101 PolarHBondContact O-N 3.04Å; V99-T101 HydrophobicContact CG1-CG2 4.09Å; T101-D103 WeakPolarHBondContact OG1-CB 3.14Å; T101-D103 PolarHBondContact OG1-N 3.25Å; T101-V106 HydrophobicContact CG2-CB 3.94Å; T101-V106 HydrophobicContact CG2-CG1 3.8Å; T101-L107 HydrophobicContact CG2-CD2 3.72Å; T101-L107 HydrophobicContact CG2-CG 3.96Å
102	R	97.7	Very high	97.9	Very high	137 Å²	137	55.9 Å²	55.9	52%	0.517	31%	0.308	S	S	.	.			trans	-113.7	3.4	165.6	-71.8	-176.2	175.2	83.7	-0	112.7	H72 N73 G74 A104 V116	H72-R102 HydrophobicContact CB-CG 4.24Å; N73-R102 PolarHBondContact OD1-NH1 3.05Å; G74-R102 VanDerWaalsContact N-NH1 3.1Å; R102-A104 PolarHBondContact O-N 2.79Å; R102-V116 HydrophobicContact CG-CG2 4.05Å
103	D	98.4	Very high	98	Very high	86 Å²	86	52.4 Å²	52.4	46%	0.46	29%	0.292	S	S	.	.			trans	-71.5	114.2	177.5	-172	-35.1	0	0	0	109.9	T101 A105 V106 L107	T101-D103 WeakPolarHBondContact OG1-CB 3.14Å; T101-D103 PolarHBondContact OG1-N 3.25Å; D103-A105 PolarHBondContact O-N 3.42Å; D103-A105 WeakPolarHBondContact OD1-CB 3.37Å; D103-A105 PolarHBondContact OD1-N 2.82Å; D103-V106 HydrophobicContact CB-CB 4.19Å; D103-V106 HydrophobicContact CB-CG2 3.91Å; D103-V106 PolarHBondContact O-N 3.18Å; D103-V106 VanDerWaalsContact O-N 3.15Å; D103-L107 WeakPolarHBondContact O-CG 3.41Å; D103-L107 PolarHBondContact O-N 2.54Å
104	A	97.8	Very high	98.1	Very high	77 Å²	77	51.8 Å²	51.8	64%	0.636	29%	0.29	S	S	*	.	H	α-helix	trans	-60.1	-31.4	-178.1	0	0	0	0	0	113.3	R102 A108	R102-A104 PolarHBondContact O-N 2.79Å; A104-A108 WeakPolarHBondContact O-CB 3.23Å; A104-A108 PolarHBondContact O-N 3.4Å
105	A	98.1	Very high	98.2	Very high	63 Å²	63	50.3 Å²	50.3	52%	0.521	28%	0.277	S	S	.	.	H	α-helix	trans	-68.7	-42.1	177.4	0	0	0	0	0	110.8	D103 A108 E109	D103-A105 PolarHBondContact O-N 3.42Å; D103-A105 WeakPolarHBondContact OD1-CB 3.37Å; D103-A105 PolarHBondContact OD1-N 2.82Å; A105-A108 WeakPolarHBondContact O-CB 3.47Å; A105-A108 PolarHBondContact O-N 2.68Å; A105-E109 PolarHBondContact O-N 3.05Å
106	V	98.4	Very high	98.3	Very high	48 Å²	48	43.9 Å²	43.9	29%	0.291	25%	0.248	S	C	.	.	H	α-helix	trans	-68.6	-40	176.4	-177	0	0	0	0	111.2	V99 T101 D103 A108 E109 C110	V99-V106 HydrophobicContact CG1-CG1 3.74Å; T101-V106 HydrophobicContact CG2-CB 3.94Å; T101-V106 HydrophobicContact CG2-CG1 3.8Å; D103-V106 HydrophobicContact CB-CB 4.19Å; D103-V106 HydrophobicContact CB-CG2 3.91Å; D103-V106 PolarHBondContact O-N 3.18Å; D103-V106 VanDerWaalsContact O-N 3.15Å; V106-A108 VanDerWaalsContact C-N 3.28Å; V106-A108 PolarHBondContact O-N 2.97Å; V106-E109 WeakPolarHBondContact O-CB 3.48Å; V106-E109 PolarHBondContact O-N 3.3Å; V106-E109 VanDerWaalsContact O-N 3.17Å; V106-C110 PolarHBondContact O-SG 3.17Å; V106-C110 VanDerWaalsContact O-SG 3.4Å
107	L	98.4	Very high	98.3	Very high	10 Å²	10	46.3 Å²	46.3	5%	0.052	27%	0.274	C	S	.	.	H	α-helix	trans	-65.4	-30.8	175.6	-66	173.5	0	0	0	112.5	T101 D103 E109 C110 V113 V116 R126	T101-L107 HydrophobicContact CG2-CD2 3.72Å; T101-L107 HydrophobicContact CG2-CG 3.96Å; D103-L107 WeakPolarHBondContact O-CG 3.41Å; D103-L107 PolarHBondContact O-N 2.54Å; L107-E109 PolarHBondContact O-N 2.91Å; L107-C110 WeakPolarHBondContact O-CB 3.44Å; L107-C110 PolarHBondContact O-N 2.89Å; L107-V113 HydrophobicContact CB-CG2 4.41Å; L107-V113 HydrophobicContact CD2-CG1 4.02Å; L107-V113 HydrophobicContact CD2-CG2 4.45Å; L107-V116 HydrophobicContact CD1-CB 4.46Å; L107-V116 HydrophobicContact CD1-CG1 3.76Å; L107-V116 HydrophobicContact CD1-CG2 3.92Å; L107-V116 HydrophobicContact CD2-CG1 3.69Å; L107-V116 HydrophobicContact CG-CG1 4.39Å; L107-R126 PolarHBondContact O-NH2 3.23Å; L107-R126 VanDerWaalsContact O-NH2 3.12Å
108	A	97.6	Very high	98.2	Very high	72 Å²	72	43.7 Å²	43.7	60%	0.595	27%	0.274	S	S	*	.	H	α-helix	trans	-66.1	-25.7	175.2	0	0	0	0	0	112.7	A104 A105 V106 C110	A104-A108 WeakPolarHBondContact O-CB 3.23Å; A104-A108 PolarHBondContact O-N 3.4Å; A105-A108 WeakPolarHBondContact O-CB 3.47Å; A105-A108 PolarHBondContact O-N 2.68Å; V106-A108 VanDerWaalsContact C-N 3.28Å; V106-A108 PolarHBondContact O-N 2.97Å; A108-C110 VanDerWaalsContact C-N 3.35Å
109	E	97.5	Very high	98.1	Very high	130 Å²	130	45.1 Å²	45.1	61%	0.607	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-10.6	174.8	-62.3	178.1	-172	0	0	113.5	A105 V106 L107	A105-E109 PolarHBondContact O-N 3.05Å; V106-E109 WeakPolarHBondContact O-CB 3.48Å; V106-E109 PolarHBondContact O-N 3.3Å; V106-E109 VanDerWaalsContact O-N 3.17Å; L107-E109 PolarHBondContact O-N 2.91Å
110	C	98.5	Very high	98.1	Very high	6 Å²	6	46.6 Å²	46.6	4%	0.041	29%	0.285	C	S	.	.			trans	-80.2	137.9	179.4	-63.3	0	0	0	0	111.5	K68 V106 L107 A108 I112 V113 R126	K68-C110 HydrophobicContact CB-CB 4.24Å; V106-C110 PolarHBondContact O-SG 3.17Å; V106-C110 VanDerWaalsContact O-SG 3.4Å; L107-C110 WeakPolarHBondContact O-CB 3.44Å; L107-C110 PolarHBondContact O-N 2.89Å; A108-C110 VanDerWaalsContact C-N 3.35Å; C110-I112 VanDerWaalsContact C-N 3.28Å; C110-I112 PolarHBondContact O-N 2.76Å; C110-V113 HydrophobicContact CB-CG2 3.86Å; C110-R126 PolarHBondContact O-NH2 3.39Å; C110-R126 VanDerWaalsContact O-NH2 3.16Å
111	D	98.6	Very high	98.1	Very high	52 Å²	52	46.9 Å²	46.9	28%	0.278	29%	0.289	S	S	.	.	S	Bend	trans	-65.6	-33.6	178.7	-64	-92.7	0	0	0	112.2	K67 K68 Y93	K67-D111 VanDerWaalsContact CA-OD2 3.28Å; K67-D111 WeakPolarHBondContact CA-OD2 3.47Å; K67-D111 HydrophobicContact CD-CB 3.99Å; K67-D111 WeakPolarHBondContact CD-OD1 3.48Å; K67-D111 WeakPolarHBondContact CD-OD2 3.43Å; K67-D111 IonicContact NZ-OD1 2.74Å; K67-D111 PolarHBondContact NZ-OD1 3.44Å; K68-D111 PolarHBondContact N-OD2 3.17Å; K68-D111 PolarHBondContact O-N 2.87Å; Y93-D111 HydrophobicContact CE1-CB 4.28Å
112	I	98.8	Very high	98.1	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	142.4	177.7	-178.7	156.6	0	0	0	108.8	K68 I69 G70 L87 Y93 C110 V114 H125 Y127 F161	K68-I112 PolarHBondContact O-N 3.39Å; I69-I112 CarbonylContact C-O 3.54Å; I69-I112 WeakPolarHBondContact CA-O 3.32Å; I69-I112 HydrophobicContact CB-CG2 4.19Å; I69-I112 HydrophobicContact CG1-CG2 3.72Å; I69-I112 HydrophobicContact CG2-CG2 4.29Å; G70-I112 PolarHBondContact N-O 2.89Å; L87-I112 HydrophobicContact CD1-CD1 3.6Å; L87-I112 HydrophobicContact CD1-CG1 3.97Å; L87-I112 HydrophobicContact CD1-CG2 4Å; L87-I112 HydrophobicContact CD2-CD1 3.49Å; L87-I112 VanDerWaalsContact CD2-CD1 3.49Å; L87-I112 HydrophobicContact CG-CD1 4.19Å; Y93-I112 HydrophobicContact CD1-CG2 4.2Å; Y93-I112 HydrophobicContact CE1-CB 4.35Å; Y93-I112 HydrophobicContact CE1-CG2 3.62Å; C110-I112 VanDerWaalsContact C-N 3.28Å; C110-I112 PolarHBondContact O-N 2.76Å; I112-V114 HydrophobicContact CG1-CG1 4.49Å; I112-H125 WeakPolarHBondContact CA-O 3.43Å; I112-H125 HydrophobicContact CB-CB 4Å; I112-H125 HydrophobicContact CD1-CB 4.11Å; I112-H125 HydrophobicContact CG1-CB 3.88Å; I112-Y127 HydrophobicContact CD1-CD2 3.84Å; I112-Y127 HydrophobicContact CD1-CE2 3.49Å; I112-Y127 VanDerWaalsContact CD1-CE2 3.49Å; I112-Y127 HydrophobicContact CG1-CD2 3.91Å; I112-Y127 HydrophobicContact CG1-CE2 3.91Å; I112-F161 HydrophobicContact CD1-CE2 4.07Å; I112-F161 HydrophobicContact CD1-CZ 4.17Å
113	V	98.9	Very high	98.1	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.006	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	133.5	179.6	-176.9	0	0	0	0	109.5	G70 L107 C110 V116 H125 Y127	G70-V113 CarbonylContact O-C 3.54Å; G70-V113 WeakPolarHBondContact O-CA 3.34Å; L107-V113 HydrophobicContact CB-CG2 4.41Å; L107-V113 HydrophobicContact CD2-CG1 4.02Å; L107-V113 HydrophobicContact CD2-CG2 4.45Å; C110-V113 HydrophobicContact CB-CG2 3.86Å; V113-V116 HydrophobicContact CG1-CG1 3.4Å; V113-V116 VanDerWaalsContact CG1-CG1 3.4Å; V113-V116 VanDerWaalsContact CG1-O 3.23Å; V113-V116 WeakPolarHBondContact CG1-O 3.45Å; V113-H125 PolarHBondContact N-O 3.41Å; V113-Y127 PolarHBondContact O-N 3.1Å
114	V	98.9	Very high	98.1	Very high	0 Å²	0	53 Å²	53	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	141.4	-179.1	-57.5	0	0	0	0	110	I69 G70 T71 E80 A83 L87 I112 V116 Y127 V157	I69-V114 HydrophobicContact CG2-CG2 4.36Å; G70-V114 PolarHBondContact O-N 3.49Å; T71-V114 WeakPolarHBondContact CA-O 3.04Å; T71-V114 WeakPolarHBondContact CB-O 3.17Å; T71-V114 PolarHBondContact OG1-O 3.27Å; T71-V114 VanDerWaalsContact OG1-O 3.12Å; E80-V114 HydrophobicContact CB-CG2 4.49Å; A83-V114 HydrophobicContact CB-CB 4.16Å; A83-V114 HydrophobicContact CB-CG1 4.2Å; A83-V114 HydrophobicContact CB-CG2 4.16Å; L87-V114 HydrophobicContact CD1-CG1 3.92Å; I112-V114 HydrophobicContact CG1-CG1 4.49Å; V114-V116 PolarHBondContact O-N 2.85Å; V114-Y127 WeakPolarHBondContact CA-O 3.23Å; V114-V157 HydrophobicContact CG1-CG2 3.81Å
115	D	98.7	Very high	98.1	Very high	2 Å²	2	52.2 Å²	52.2	1%	0.011	30%	0.297	C	S	.	.	S	Bend	trans	59.9	19	171.5	-159.2	40.7	0	0	0	115.8	H72 E80 Y127 H129 H130 S153	H72-D115 PolarHBondContact CD2-O 3.17Å; H72-D115 IonicContact CD2-OD2 3.54Å; H72-D115 PolarHBondContact CD2-OD2 3Å; H72-D115 IonicContact NE2-OD2 3.81Å; H72-D115 PolarHBondContact NE2-OD2 3.37Å; H72-D115 VanDerWaalsContact NE2-OD2 3.17Å; E80-D115 HydrophobicContact CB-CB 3.54Å; D115-Y127 PolarHBondContact N-O 3.14Å; D115-Y127 VanDerWaalsContact N-O 3.1Å; D115-H129 IonicContact OD1-CD2 2.9Å; D115-H129 IonicContact OD1-NE2 3.55Å; D115-H130 IonicContact OD1-CE1 3.26Å; D115-H130 PolarHBondContact OD1-CE1 2.94Å; D115-H130 IonicContact OD1-ND1 2.63Å; D115-S153 WeakPolarHBondContact CA-OG 3.29Å; D115-S153 VanDerWaalsContact CB-OG 3.31Å; D115-S153 WeakPolarHBondContact CB-OG 3.48Å; D115-S153 PolarHBondContact N-OG 3.08Å; D115-S153 PolarHBondContact OD1-OG 3.39Å
116	V	98.6	Very high	98.1	Very high	16 Å²	16	50.7 Å²	50.7	10%	0.097	28%	0.278	C	S	.	.			trans	-160.1	156.3	178.4	73.2	0	0	0	0	110.9	H72 R102 L107 V113 V114 D128	H72-V116 HydrophobicContact CB-CB 4.05Å; H72-V116 HydrophobicContact CB-CG2 3.98Å; R102-V116 HydrophobicContact CG-CG2 4.05Å; L107-V116 HydrophobicContact CD1-CB 4.46Å; L107-V116 HydrophobicContact CD1-CG1 3.76Å; L107-V116 HydrophobicContact CD1-CG2 3.92Å; L107-V116 HydrophobicContact CD2-CG1 3.69Å; L107-V116 HydrophobicContact CG-CG1 4.39Å; V113-V116 HydrophobicContact CG1-CG1 3.4Å; V113-V116 VanDerWaalsContact CG1-CG1 3.4Å; V113-V116 VanDerWaalsContact CG1-O 3.23Å; V113-V116 WeakPolarHBondContact CG1-O 3.45Å; V114-V116 PolarHBondContact O-N 2.85Å; V116-D128 WeakPolarHBondContact CA-OD2 3.29Å
117	G	97.1	Very high	98.1	Very high	58 Å²	58	48.6 Å²	48.6	60%	0.598	27%	0.265	S	S	*	.	S	Bend	trans	107.1	-11.2	172.5	0	0	0	0	0	114.2	E119 D128	G117-E119 VanDerWaalsContact C-N 3.28Å; G117-E119 PolarHBondContact O-N 3.33Å; G117-D128 PolarHBondContact N-OD2 2.81Å
118	G	97.1	Very high	98.1	Very high	46 Å²	46	48.3 Å²	48.3	47%	0.474	26%	0.263	S	S	.	.	S	Bend	trans	68	25.2	176.3	0	0	0	0	0	113.6	D128 Q131	G118-D128 VanDerWaalsContact CA-OD2 3.24Å; G118-D128 WeakPolarHBondContact CA-OD2 3.34Å; G118-D128 PolarHBondContact N-OD2 3.4Å; G118-Q131 WeakPolarHBondContact O-CG 3.41Å; G118-Q131 PolarHBondContact O-NE2 3.38Å
119	E	97.3	Very high	98.2	Very high	66 Å²	66	45.3 Å²	45.3	31%	0.308	24%	0.237	S	C	.	.			trans	-137.5	129.6	-177.5	-173.6	176.8	-164	0	0	112.3	G117 D121 R124 R126 D128	G117-E119 VanDerWaalsContact C-N 3.28Å; G117-E119 PolarHBondContact O-N 3.33Å; E119-D121 HydrophobicContact CG-CB 4.19Å; E119-R124 IonicContact OE1-CZ 3.74Å; E119-R124 IonicContact OE1-NH1 3.34Å; E119-R124 PolarHBondContact OE1-NH1 3.13Å; E119-R124 IonicContact OE2-NH1 3Å; E119-R126 HydrophobicContact CB-CB 4.26Å; E119-R126 HydrophobicContact CG-CB 4.18Å; E119-R126 HydrophobicContact CG-CG 4.47Å; E119-R126 CarbonylContact O-C 3.54Å; E119-R126 WeakPolarHBondContact O-CB 3.45Å; E119-D128 PolarHBondContact O-N 2.88Å
120	F	98.2	Very high	98.2	Very high	51 Å²	51	44.4 Å²	44.4	22%	0.224	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	108.9	162.3	173.2	-126.4	0	0	0	108.7	P122 R126 Y127 D128 Q131 F134 E136 L141 L156 H160	F120-P122 HydrophobicContact CE2-CB 4.36Å; F120-P122 HydrophobicContact CE2-CG 4.3Å; F120-P122 HydrophobicContact CZ-CG 4.14Å; F120-R126 CarbonylContact C-O 3.58Å; F120-R126 WeakPolarHBondContact CA-O 3.18Å; F120-Y127 HydrophobicContact CD2-CD1 4.29Å; F120-Y127 AromaticContact CE2-CD1 3.99Å; F120-Y127 HydrophobicContact CE2-CD1 3.99Å; F120-Y127 HydrophobicContact CE2-CE1 4.32Å; F120-D128 WeakPolarHBondContact CB-O 3.49Å; F120-Q131 VanDerWaalsContact N-NE2 3.2Å; F120-F134 HydrophobicContact CB-CD2 3.97Å; F120-F134 HydrophobicContact CB-CE2 3.84Å; F120-F134 HydrophobicContact CD1-CD2 4.24Å; F120-F134 AromaticContact CD1-CE2 3.64Å; F120-F134 HydrophobicContact CD1-CE2 3.64Å; F120-F134 HydrophobicContact CE1-CE2 4.32Å; F120-F134 HydrophobicContact CG-CD2 4.33Å; F120-F134 AromaticContact CG-CE2 3.75Å; F120-F134 HydrophobicContact CG-CE2 3.75Å; F120-E136 HydrophobicContact CE1-CG 4.46Å; F120-L141 HydrophobicContact CE1-CD1 4.08Å; F120-L141 HydrophobicContact CE1-CD2 4.21Å; F120-L141 HydrophobicContact CZ-CD1 3.93Å; F120-L156 HydrophobicContact CD2-CD1 3.82Å; F120-L156 HydrophobicContact CD2-CD2 4Å; F120-L156 HydrophobicContact CE1-CD2 4.37Å; F120-L156 HydrophobicContact CE2-CD1 4.13Å; F120-L156 HydrophobicContact CE2-CD2 3.5Å; F120-L156 VanDerWaalsContact CE2-CD2 3.5Å; F120-L156 HydrophobicContact CE2-CG 4.32Å; F120-L156 HydrophobicContact CG-CD1 4.44Å; F120-L156 HydrophobicContact CZ-CD2 3.69Å; F120-H160 AromaticContact CE2-NE2 3.87Å; F120-H160 AromaticContact CZ-NE2 3.73Å
121	D	98.1	Very high	98.1	Very high	40 Å²	40	45.7 Å²	45.7	21%	0.214	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	100.8	173.1	-176	-17.5	0	0	0	109	E119 K123 R124 H125 R126	E119-D121 HydrophobicContact CG-CB 4.19Å; D121-K123 PolarHBondContact O-N 3.17Å; D121-K123 WeakPolarHBondContact OD1-CA 3.36Å; D121-K123 VanDerWaalsContact OD1-CB 3.32Å; D121-K123 WeakPolarHBondContact OD1-CB 3.36Å; D121-K123 PolarHBondContact OD1-N 2.97Å; D121-R124 HydrophobicContact CB-CB 4.18Å; D121-R124 CarbonylContact O-C 3.6Å; D121-R124 PolarHBondContact O-N 2.85Å; D121-R124 VanDerWaalsContact O-N 3.16Å; D121-R124 PolarHBondContact OD1-N 3.04Å; D121-R124 WeakPolarHBondContact OD2-CD 3.21Å; D121-R124 VanDerWaalsContact OD2-CG 3.28Å; D121-R124 WeakPolarHBondContact OD2-CG 3.47Å; D121-H125 PolarHBondContact O-N 2.83Å; D121-R126 CarbonylContact C-O 3.47Å; D121-R126 HydrophobicContact CB-CB 4.41Å; D121-R126 PolarHBondContact N-O 3.24Å; D121-R126 PolarHBondContact O-N 3.42Å
122	P	97.6	Very high	98	Very high	43 Å²	43	55.3 Å²	55.3	28%	0.279	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-20.8	-178.8	26.8	-34	0	0	0	113.2	F120 R124 H125 Y127	F120-P122 HydrophobicContact CE2-CB 4.36Å; F120-P122 HydrophobicContact CE2-CG 4.3Å; F120-P122 HydrophobicContact CZ-CG 4.14Å; P122-R124 VanDerWaalsContact C-N 3.32Å; P122-H125 PolarHBondContact O-N 3.44Å; P122-H125 PolarHBondContact O-ND1 3.45Å; P122-Y127 HydrophobicContact CB-CE1 3.98Å; P122-Y127 PolarHBondContact O-OH 3.45Å
123	K	97.6	Very high	97.8	Very high	190 Å²	190	61.4 Å²	61.4	83%	0.826	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-27.2	175.9	-62.2	179.7	180	174.9	0	111.8	D121	D121-K123 PolarHBondContact O-N 3.17Å; D121-K123 WeakPolarHBondContact OD1-CA 3.36Å; D121-K123 VanDerWaalsContact OD1-CB 3.32Å; D121-K123 WeakPolarHBondContact OD1-CB 3.36Å; D121-K123 PolarHBondContact OD1-N 2.97Å
124	R	97.7	Very high	97.8	Very high	141 Å²	141	62.2 Å²	62.2	53%	0.532	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	6.8	176.5	-61.9	177.2	68.2	-162.6	-3.3	112.6	E119 D121 P122 R126	E119-R124 IonicContact OE1-CZ 3.74Å; E119-R124 IonicContact OE1-NH1 3.34Å; E119-R124 PolarHBondContact OE1-NH1 3.13Å; E119-R124 IonicContact OE2-NH1 3Å; D121-R124 HydrophobicContact CB-CB 4.18Å; D121-R124 CarbonylContact O-C 3.6Å; D121-R124 PolarHBondContact O-N 2.85Å; D121-R124 VanDerWaalsContact O-N 3.16Å; D121-R124 PolarHBondContact OD1-N 3.04Å; D121-R124 WeakPolarHBondContact OD2-CD 3.21Å; D121-R124 VanDerWaalsContact OD2-CG 3.28Å; D121-R124 WeakPolarHBondContact OD2-CG 3.47Å; P122-R124 VanDerWaalsContact C-N 3.32Å; R124-R126 VanDerWaalsContact C-N 3.33Å; R124-R126 HydrophobicContact CB-CG 4.21Å; R124-R126 PolarHBondContact O-N 3.45Å; R124-R126 PolarHBondContact O-NH1 3.39Å
125	H	98.5	Very high	97.7	Very high	61 Å²	61	65.6 Å²	65.6	28%	0.282	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.2	50.5	-175.9	-60.9	-51.4	0	0	0	112.8	I112 V113 D121 P122 Y127 F161	I112-H125 WeakPolarHBondContact CA-O 3.43Å; I112-H125 HydrophobicContact CB-CB 4Å; I112-H125 HydrophobicContact CD1-CB 4.11Å; I112-H125 HydrophobicContact CG1-CB 3.88Å; V113-H125 PolarHBondContact N-O 3.41Å; D121-H125 PolarHBondContact O-N 2.83Å; P122-H125 PolarHBondContact O-N 3.44Å; P122-H125 PolarHBondContact O-ND1 3.45Å; H125-Y127 VanDerWaalsContact CA-CE2 3.49Å; H125-Y127 HydrophobicContact CB-CE2 3.87Å; H125-Y127 AromaticContact ND1-CE2 3.92Å; H125-Y127 AromaticContact ND1-CZ 3.88Å; H125-Y127 PolarHBondContact ND1-OH 2.67Å; H125-F161 AromaticContact CE1-CZ 3.87Å; H125-F161 AromaticContact ND1-CZ 3.73Å
126	R	98.7	Very high	97.7	Very high	32 Å²	32	68.8 Å²	68.8	12%	0.121	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	114.6	171.2	-59.2	-58.8	-179.1	-105.3	19.4	107.9	L107 C110 E119 F120 D121 R124	L107-R126 PolarHBondContact O-NH2 3.23Å; L107-R126 VanDerWaalsContact O-NH2 3.12Å; C110-R126 PolarHBondContact O-NH2 3.39Å; C110-R126 VanDerWaalsContact O-NH2 3.16Å; E119-R126 HydrophobicContact CB-CB 4.26Å; E119-R126 HydrophobicContact CG-CB 4.18Å; E119-R126 HydrophobicContact CG-CG 4.47Å; E119-R126 CarbonylContact O-C 3.54Å; E119-R126 WeakPolarHBondContact O-CB 3.45Å; F120-R126 CarbonylContact C-O 3.58Å; F120-R126 WeakPolarHBondContact CA-O 3.18Å; D121-R126 CarbonylContact C-O 3.47Å; D121-R126 HydrophobicContact CB-CB 4.41Å; D121-R126 PolarHBondContact N-O 3.24Å; D121-R126 PolarHBondContact O-N 3.42Å; R124-R126 VanDerWaalsContact C-N 3.33Å; R124-R126 HydrophobicContact CB-CG 4.21Å; R124-R126 PolarHBondContact O-N 3.45Å; R124-R126 PolarHBondContact O-NH1 3.39Å
127	Y	98.8	Very high	97.7	Very high	3 Å²	3	69.4 Å²	69.4	1%	0.012	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	67	-173.1	-57.7	-74.7	0	0	0	109.3	I112 V113 V114 D115 F120 P122 H125 S153 L156 V157 H160 F161	I112-Y127 HydrophobicContact CD1-CD2 3.84Å; I112-Y127 HydrophobicContact CD1-CE2 3.49Å; I112-Y127 VanDerWaalsContact CD1-CE2 3.49Å; I112-Y127 HydrophobicContact CG1-CD2 3.91Å; I112-Y127 HydrophobicContact CG1-CE2 3.91Å; V113-Y127 PolarHBondContact O-N 3.1Å; V114-Y127 WeakPolarHBondContact CA-O 3.23Å; D115-Y127 PolarHBondContact N-O 3.14Å; D115-Y127 VanDerWaalsContact N-O 3.1Å; F120-Y127 HydrophobicContact CD2-CD1 4.29Å; F120-Y127 AromaticContact CE2-CD1 3.99Å; F120-Y127 HydrophobicContact CE2-CD1 3.99Å; F120-Y127 HydrophobicContact CE2-CE1 4.32Å; P122-Y127 HydrophobicContact CB-CE1 3.98Å; P122-Y127 PolarHBondContact O-OH 3.45Å; H125-Y127 VanDerWaalsContact CA-CE2 3.49Å; H125-Y127 HydrophobicContact CB-CE2 3.87Å; H125-Y127 AromaticContact ND1-CE2 3.92Å; H125-Y127 AromaticContact ND1-CZ 3.88Å; H125-Y127 PolarHBondContact ND1-OH 2.67Å; Y127-S153 VanDerWaalsContact O-CB 3.25Å; Y127-S153 WeakPolarHBondContact O-CB 3.12Å; Y127-S153 PolarHBondContact O-OG 2.91Å; Y127-S153 VanDerWaalsContact O-OG 3.08Å; Y127-L156 HydrophobicContact CD1-CB 4.01Å; Y127-V157 HydrophobicContact CD2-CG2 4.24Å; Y127-V157 HydrophobicContact CG-CG2 4.23Å; Y127-H160 HydrophobicContact CE1-CB 4.32Å; Y127-H160 AromaticContact CE1-CD2 3.41Å; Y127-H160 VanDerWaalsContact CE1-CD2 3.41Å; Y127-H160 WeakPolarHBondContact CE1-CD2 3.12Å; Y127-H160 AromaticContact CE1-CG 3.98Å; Y127-F161 AromaticContact CE2-CE2 3.73Å; Y127-F161 HydrophobicContact CE2-CE2 3.73Å; Y127-F161 HydrophobicContact CE2-CZ 4.31Å; Y127-F161 AromaticContact CZ-CE2 3.6Å; Y127-F161 VanDerWaalsContact OH-CE2 3.28Å; Y127-F161 WeakPolarHBondContact OH-CE2 3.44Å
128	D	98.6	Very high	97.7	Very high	5 Å²	5	66.7 Å²	66.7	3%	0.027	33%	0.328	C	S	.	.			trans	-114.8	142.5	173.1	-173.5	7.1	0	0	0	109.4	V116 G117 G118 E119 F120 H130 Q131	V116-D128 WeakPolarHBondContact CA-OD2 3.29Å; G117-D128 PolarHBondContact N-OD2 2.81Å; G118-D128 VanDerWaalsContact CA-OD2 3.24Å; G118-D128 WeakPolarHBondContact CA-OD2 3.34Å; G118-D128 PolarHBondContact N-OD2 3.4Å; E119-D128 PolarHBondContact O-N 2.88Å; F120-D128 WeakPolarHBondContact CB-O 3.49Å; D128-H130 WeakPolarHBondContact OD1-CB 3.26Å; D128-H130 IonicContact OD1-CE1 3.14Å; D128-H130 IonicContact OD1-CG 2.83Å; D128-H130 PolarHBondContact OD1-N 2.9Å; D128-H130 VanDerWaalsContact OD1-N 3.12Å; D128-H130 IonicContact OD1-ND1 3.91Å; D128-H130 PolarHBondContact OD1-ND1 2.79Å; D128-H130 IonicContact OD2-ND1 3.27Å; D128-Q131 PolarHBondContact O-NE2 3.16Å; D128-Q131 PolarHBondContact O-OE1 3.27Å
129	H	98.3	Very high	97.8	Very high	8 Å²	8	68.4 Å²	68.4	4%	0.037	32%	0.324	C	S	.	.			trans	-112.7	-1.1	-176.6	76.9	129.5	0	0	0	113.7	D115 Q131 F134 L151 D198 N199	D115-H129 IonicContact OD1-CD2 2.9Å; D115-H129 IonicContact OD1-NE2 3.55Å; H129-Q131 VanDerWaalsContact C-OE1 3.27Å; H129-Q131 PolarHBondContact O-N 3.04Å; H129-F134 HydrophobicContact CB-CD1 3.67Å; H129-F134 HydrophobicContact CB-CE1 3.55Å; H129-F134 HydrophobicContact CB-CG 4.37Å; H129-F134 HydrophobicContact CB-CZ 4.11Å; H129-F134 WeakPolarHBondContact O-CD1 3.38Å; H129-L151 PolarHBondContact ND1-O 2.75Å; H129-D198 IonicContact CE1-OD2 3.82Å; H129-D198 PolarHBondContact CE1-OD2 3.35Å; H129-D198 IonicContact NE2-OD2 3.87Å; H129-D198 PolarHBondContact NE2-OD2 3.5Å; H129-D198 VanDerWaalsContact NE2-OD2 3.1Å; H129-N199 PolarHBondContact ND1-OD1 2.81Å
130	H	97.5	Very high	97.8	Very high	112 Å²	112	67.9 Å²	67.9	52%	0.519	33%	0.327	S	S	.	.			trans	-72.4	-3.4	-173.1	-73.1	104	0	0	0	115.4	D115 D128 R132	D115-H130 IonicContact OD1-CE1 3.26Å; D115-H130 PolarHBondContact OD1-CE1 2.94Å; D115-H130 IonicContact OD1-ND1 2.63Å; D128-H130 WeakPolarHBondContact OD1-CB 3.26Å; D128-H130 IonicContact OD1-CE1 3.14Å; D128-H130 IonicContact OD1-CG 2.83Å; D128-H130 PolarHBondContact OD1-N 2.9Å; D128-H130 VanDerWaalsContact OD1-N 3.12Å; D128-H130 IonicContact OD1-ND1 3.91Å; D128-H130 PolarHBondContact OD1-ND1 2.79Å; D128-H130 IonicContact OD2-ND1 3.27Å; H130-R132 PolarHBondContact O-N 3.18Å
131	Q	97.4	Very high	97.7	Very high	32 Å²	32	68.2 Å²	68.2	15%	0.15	33%	0.332	C	S	.	.	S	Bend	trans	-68	138.6	-178.1	-47.1	79.1	6.4	0	0	109.8	G118 F120 D128 H129 T133 F134	G118-Q131 WeakPolarHBondContact O-CG 3.41Å; G118-Q131 PolarHBondContact O-NE2 3.38Å; F120-Q131 VanDerWaalsContact N-NE2 3.2Å; D128-Q131 PolarHBondContact O-NE2 3.16Å; D128-Q131 PolarHBondContact O-OE1 3.27Å; H129-Q131 VanDerWaalsContact C-OE1 3.27Å; H129-Q131 PolarHBondContact O-N 3.04Å; Q131-T133 PolarHBondContact O-N 3.1Å; Q131-F134 HydrophobicContact CB-CB 4.06Å; Q131-F134 WeakPolarHBondContact O-CB 3.41Å; Q131-F134 PolarHBondContact O-N 2.81Å
132	R	95.4	Very high	97.6	Very high	254 Å²	254	67 Å²	67	96%	0.958	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	-31.4	176.9	179.5	175.9	177.4	172.9	0.9	113	H130	H130-R132 PolarHBondContact O-N 3.18Å
133	T	95.9	Very high	97.5	Very high	129 Å²	129	69.1 Å²	69.1	79%	0.791	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-6.2	-177.8	52.3	0	0	0	0	113.6	Q131 A135	Q131-T133 PolarHBondContact O-N 3.1Å; T133-A135 PolarHBondContact O-N 2.86Å
134	F	97.8	Very high	97.4	Very high	17 Å²	17	66.5 Å²	66.5	8%	0.075	33%	0.33	C	S	.	.			trans	-76	119.1	-177.8	-175.6	-87	0	0	0	110.2	F120 H129 Q131 E136 K150 L156	F120-F134 HydrophobicContact CB-CD2 3.97Å; F120-F134 HydrophobicContact CB-CE2 3.84Å; F120-F134 HydrophobicContact CD1-CD2 4.24Å; F120-F134 AromaticContact CD1-CE2 3.64Å; F120-F134 HydrophobicContact CD1-CE2 3.64Å; F120-F134 HydrophobicContact CE1-CE2 4.32Å; F120-F134 HydrophobicContact CG-CD2 4.33Å; F120-F134 AromaticContact CG-CE2 3.75Å; F120-F134 HydrophobicContact CG-CE2 3.75Å; H129-F134 HydrophobicContact CB-CD1 3.67Å; H129-F134 HydrophobicContact CB-CE1 3.55Å; H129-F134 HydrophobicContact CB-CG 4.37Å; H129-F134 HydrophobicContact CB-CZ 4.11Å; H129-F134 WeakPolarHBondContact O-CD1 3.38Å; Q131-F134 HydrophobicContact CB-CB 4.06Å; Q131-F134 WeakPolarHBondContact O-CB 3.41Å; Q131-F134 PolarHBondContact O-N 2.81Å; F134-E136 HydrophobicContact CD2-CG 4.28Å; F134-E136 HydrophobicContact CE1-CB 4.24Å; F134-E136 HydrophobicContact CE2-CB 3.87Å; F134-E136 HydrophobicContact CE2-CG 3.87Å; F134-E136 HydrophobicContact CZ-CB 3.67Å; F134-E136 HydrophobicContact CZ-CG 4.21Å; F134-K150 VanDerWaalsContact CD1-CE 3.46Å; F134-K150 HydrophobicContact CE1-CG 4.43Å; F134-K150 WeakPolarHBondContact O-CE 3.36Å; F134-K150 PolarHBondContact O-NZ 2.89Å; F134-L156 HydrophobicContact CE2-CD1 4.21Å; F134-L156 HydrophobicContact CE2-CD2 4.47Å; F134-L156 HydrophobicContact CZ-CD1 3.91Å; F134-L156 HydrophobicContact CZ-CD2 4.06Å; F134-L156 HydrophobicContact CZ-CG 4.29Å
135	A	97.3	Very high	97.3	Very high	71 Å²	71	60.3 Å²	60.3	59%	0.587	31%	0.307	S	S	*	.			trans	-138.1	15.8	-177.8	0	0	0	0	0	111.8	T133	T133-A135 PolarHBondContact O-N 2.86Å
136	E	98.3	Very high	97.3	Very high	69 Å²	69	61.7 Å²	61.7	32%	0.322	32%	0.322	S	S	.	.			trans	-69.8	142.4	-177.4	-57.4	-60.3	153.6	0	0	110.9	F120 F134 S140 L141 L151	F120-E136 HydrophobicContact CE1-CG 4.46Å; F134-E136 HydrophobicContact CD2-CG 4.28Å; F134-E136 HydrophobicContact CE1-CB 4.24Å; F134-E136 HydrophobicContact CE2-CB 3.87Å; F134-E136 HydrophobicContact CE2-CG 3.87Å; F134-E136 HydrophobicContact CZ-CB 3.67Å; F134-E136 HydrophobicContact CZ-CG 4.21Å; E136-S140 WeakPolarHBondContact CA-OG 3.48Å; E136-S140 VanDerWaalsContact OE2-CB 3.3Å; E136-S140 WeakPolarHBondContact OE2-CB 3.42Å; E136-S140 PolarHBondContact OE2-OG 3.02Å; E136-L141 HydrophobicContact CB-CD1 3.91Å; E136-L141 HydrophobicContact CB-CD2 4.29Å; E136-L141 HydrophobicContact CB-CG 4.01Å; E136-L141 HydrophobicContact CG-CD1 4.41Å; E136-L141 HydrophobicContact CG-CD2 4.05Å; E136-L141 HydrophobicContact CG-CG 4.33Å; E136-L141 WeakPolarHBondContact OE2-CD2 3.46Å; E136-L151 PolarHBondContact O-N 2.87Å
137	N	98.4	Very high	97.2	Very high	29 Å²	29	61 Å²	61	16%	0.155	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	-128.9	177.5	171.7	55.1	62.6	0	0	0	108.9	H139 S140 L141 V148 T149	N137-H139 VanDerWaalsContact C-N 3.32Å; N137-H139 PolarHBondContact O-N 2.89Å; N137-H139 WeakPolarHBondContact OD1-CA 3.3Å; N137-H139 WeakPolarHBondContact OD1-CB 3.34Å; N137-H139 PolarHBondContact OD1-N 2.98Å; N137-H139 VanDerWaalsContact OD1-N 3.1Å; N137-S140 PolarHBondContact N-OG 2.97Å; N137-S140 PolarHBondContact O-N 3.47Å; N137-S140 PolarHBondContact O-OG 2.84Å; N137-S140 PolarHBondContact OD1-N 3.25Å; N137-L141 PolarHBondContact O-N 3.47Å; N137-V148 WeakPolarHBondContact CB-O 3.42Å; N137-T149 WeakPolarHBondContact CB-O 3.32Å
138	F	97.7	Very high	97.2	Very high	1 Å²	1	65.8 Å²	65.8	0%	0.004	35%	0.348	C	S	.	.	H	α-helix	trans	-58.9	-45	178.1	-128.4	-79.8	0	0	0	111.9	S140 L141 C142 K145 W147 L151 Y158 L159 F183 Y187	F138-S140 PolarHBondContact O-N 3.48Å; F138-L141 PolarHBondContact O-N 2.92Å; F138-C142 HydrophobicContact CD1-CB 4.07Å; F138-C142 HydrophobicContact CE1-CB 4.43Å; F138-C142 CarbonylContact O-C 3.57Å; F138-C142 WeakPolarHBondContact O-CA 3.38Å; F138-C142 VanDerWaalsContact O-CB 3.26Å; F138-C142 WeakPolarHBondContact O-CB 3.45Å; F138-C142 PolarHBondContact O-N 2.85Å; F138-K145 HydrophobicContact CD1-CB 3.9Å; F138-K145 HydrophobicContact CD1-CG 3.92Å; F138-K145 HydrophobicContact CE1-CG 4.16Å; F138-W147 HydrophobicContact CB-CB 4.04Å; F138-W147 HydrophobicContact CB-CE3 3.76Å; F138-W147 AromaticContact CD1-CE3 3.67Å; F138-W147 HydrophobicContact CD1-CE3 3.67Å; F138-W147 AromaticContact CD1-CZ3 3.71Å; F138-W147 HydrophobicContact CD1-CZ3 3.71Å; F138-W147 HydrophobicContact CD2-CE3 4.04Å; F138-W147 HydrophobicContact CD2-CZ3 4.4Å; F138-W147 HydrophobicContact CE1-CE3 4.23Å; F138-W147 AromaticContact CE1-CZ3 3.83Å; F138-W147 HydrophobicContact CE1-CZ3 3.83Å; F138-W147 AromaticContact CG-CE3 3.54Å; F138-W147 HydrophobicContact CG-CE3 3.54Å; F138-W147 HydrophobicContact CG-CZ3 4.01Å; F138-W147 HydrophobicContact CZ-CZ3 4.24Å; F138-L151 HydrophobicContact CD2-CD2 3.75Å; F138-L151 HydrophobicContact CE2-CD2 4.47Å; F138-Y158 HydrophobicContact CE2-CD1 4.4Å; F138-Y158 HydrophobicContact CZ-CD1 4.42Å; F138-L159 HydrophobicContact CD1-CD1 3.92Å; F138-L159 HydrophobicContact CD1-CG 4.39Å; F138-L159 HydrophobicContact CD2-CD1 4.16Å; F138-L159 HydrophobicContact CE1-CB 4.33Å; F138-L159 HydrophobicContact CE1-CD1 3.99Å; F138-L159 HydrophobicContact CE1-CG 3.93Å; F138-L159 HydrophobicContact CE2-CB 3.86Å; F138-L159 HydrophobicContact CE2-CD1 4.2Å; F138-L159 HydrophobicContact CE2-CG 4.27Å; F138-L159 HydrophobicContact CG-CD1 4.02Å; F138-L159 HydrophobicContact CZ-CB 3.74Å; F138-L159 HydrophobicContact CZ-CD1 4.13Å; F138-L159 HydrophobicContact CZ-CG 3.88Å; F138-F183 AromaticContact CE1-CE1 3.81Å; F138-F183 HydrophobicContact CE1-CE1 3.81Å; F138-F183 HydrophobicContact CE1-CZ 4.08Å; F138-F183 AromaticContact CZ-CE1 3.62Å; F138-F183 HydrophobicContact CZ-CE1 3.62Å; F138-F183 AromaticContact CZ-CZ 3.6Å; F138-F183 HydrophobicContact CZ-CZ 3.6Å; F138-Y187 HydrophobicContact CD2-CD1 4.34Å; F138-Y187 AromaticContact CD2-CD2 3.82Å; F138-Y187 HydrophobicContact CD2-CD2 3.82Å; F138-Y187 AromaticContact CD2-CE1 3.92Å; F138-Y187 HydrophobicContact CD2-CE1 3.92Å; F138-Y187 AromaticContact CD2-CE2 3.36Å; F138-Y187 HydrophobicContact CD2-CE2 3.36Å; F138-Y187 HydrophobicContact CD2-CG 4.29Å; F138-Y187 AromaticContact CD2-CZ 3.41Å; F138-Y187 VanDerWaalsContact CD2-CZ 3.41Å; F138-Y187 AromaticContact CE2-CD2 3.47Å; F138-Y187 HydrophobicContact CE2-CD2 3.47Å; F138-Y187 VanDerWaalsContact CE2-CD2 3.47Å; F138-Y187 HydrophobicContact CE2-CE1 4.5Å; F138-Y187 AromaticContact CE2-CE2 3.43Å; F138-Y187 HydrophobicContact CE2-CE2 3.43Å; F138-Y187 VanDerWaalsContact CE2-CE2 3.43Å; F138-Y187 HydrophobicContact CE2-CG 4.06Å; F138-Y187 AromaticContact CE2-CZ 3.98Å; F138-Y187 HydrophobicContact CG-CE1 4.48Å; F138-Y187 HydrophobicContact CZ-CD2 4.37Å
139	H	97.9	Very high	97.2	Very high	83 Å²	83	66.8 Å²	66.8	38%	0.384	36%	0.355	S	S	.	.	H	α-helix	trans	-63.2	-38.1	-179.9	-174.7	66.4	0	0	0	113.2	N137 L141 C142 P143 K145 W147 V148	N137-H139 VanDerWaalsContact C-N 3.32Å; N137-H139 PolarHBondContact O-N 2.89Å; N137-H139 WeakPolarHBondContact OD1-CA 3.3Å; N137-H139 WeakPolarHBondContact OD1-CB 3.34Å; N137-H139 PolarHBondContact OD1-N 2.98Å; N137-H139 VanDerWaalsContact OD1-N 3.1Å; H139-L141 VanDerWaalsContact C-N 3.35Å; H139-L141 PolarHBondContact O-N 3.38Å; H139-C142 CarbonylContact O-C 3.59Å; H139-P143 PolarHBondContact CE1-O 3.11Å; H139-P143 PolarHBondContact ND1-O 3.39Å; H139-P143 WeakPolarHBondContact O-CA 3.44Å; H139-K145 WeakPolarHBondContact CB-O 3.38Å; H139-K145 PolarHBondContact ND1-O 3.44Å; H139-W147 WeakPolarHBondContact CB-O 3.2Å; H139-W147 PolarHBondContact N-O 3.23Å; H139-V148 HydrophobicContact CB-CG1 4.31Å
140	S	97.9	Very high	97.2	Very high	54 Å²	54	69.4 Å²	69.4	38%	0.378	37%	0.366	S	S	.	.	H	α-helix	trans	-68.5	-33.9	179.9	66.8	0	0	0	0	112.8	E136 N137 F138	E136-S140 WeakPolarHBondContact CA-OG 3.48Å; E136-S140 VanDerWaalsContact OE2-CB 3.3Å; E136-S140 WeakPolarHBondContact OE2-CB 3.42Å; E136-S140 PolarHBondContact OE2-OG 3.02Å; N137-S140 PolarHBondContact N-OG 2.97Å; N137-S140 PolarHBondContact O-N 3.47Å; N137-S140 PolarHBondContact O-OG 2.84Å; N137-S140 PolarHBondContact OD1-N 3.25Å; F138-S140 PolarHBondContact O-N 3.48Å
141	L	97.4	Very high	97.2	Very high	59 Å²	59	64 Å²	64	31%	0.309	34%	0.341	S	S	.	.	H	α-helix	trans	-92	-22.2	179.7	-63	179.4	0	0	0	113.5	F120 E136 N137 F138 H139 L151 L156 L159	F120-L141 HydrophobicContact CE1-CD1 4.08Å; F120-L141 HydrophobicContact CE1-CD2 4.21Å; F120-L141 HydrophobicContact CZ-CD1 3.93Å; E136-L141 HydrophobicContact CB-CD1 3.91Å; E136-L141 HydrophobicContact CB-CD2 4.29Å; E136-L141 HydrophobicContact CB-CG 4.01Å; E136-L141 HydrophobicContact CG-CD1 4.41Å; E136-L141 HydrophobicContact CG-CD2 4.05Å; E136-L141 HydrophobicContact CG-CG 4.33Å; E136-L141 WeakPolarHBondContact OE2-CD2 3.46Å; N137-L141 PolarHBondContact O-N 3.47Å; F138-L141 PolarHBondContact O-N 2.92Å; H139-L141 VanDerWaalsContact C-N 3.35Å; H139-L141 PolarHBondContact O-N 3.38Å; L141-L151 HydrophobicContact CD1-CD1 3.98Å; L141-L156 HydrophobicContact CD1-CD2 4Å; L141-L159 HydrophobicContact CB-CD1 3.76Å; L141-L159 HydrophobicContact CD1-CD1 4.02Å
142	C	95.9	Very high	97.3	Very high	13 Å²	13	62.5 Å²	62.5	9%	0.088	33%	0.334	C	S	.	.	S	Bend	trans	-144	78.2	-175.1	-175.2	0	0	0	0	108.8	F138 H139 E144 K145	F138-C142 HydrophobicContact CD1-CB 4.07Å; F138-C142 HydrophobicContact CE1-CB 4.43Å; F138-C142 CarbonylContact O-C 3.57Å; F138-C142 WeakPolarHBondContact O-CA 3.38Å; F138-C142 VanDerWaalsContact O-CB 3.26Å; F138-C142 WeakPolarHBondContact O-CB 3.45Å; F138-C142 PolarHBondContact O-N 2.85Å; H139-C142 CarbonylContact O-C 3.59Å; C142-E144 PolarHBondContact O-N 3.01Å; C142-E144 PolarHBondContact SG-OE1 2.75Å; C142-E144 PolarHBondContact SG-OE2 2.86Å; C142-E144 VanDerWaalsContact SG-OE2 3.39Å; C142-K145 PolarHBondContact O-N 3.29Å
143	P	95.5	Very high	97.5	Very high	88 Å²	88	50.4 Å²	50.4	57%	0.571	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-17.4	-168.3	-27.4	36.7	0	0	0	116.5	H139 K145	H139-P143 PolarHBondContact CE1-O 3.11Å; H139-P143 PolarHBondContact ND1-O 3.39Å; H139-P143 WeakPolarHBondContact O-CA 3.44Å; P143-K145 VanDerWaalsContact C-N 3.28Å
144	E	94.7	Very high	97.6	Very high	135 Å²	135	44.3 Å²	44.3	63%	0.631	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-17.8	174.3	68.1	-87.7	-149.6	0	0	113.8	C142	C142-E144 PolarHBondContact O-N 3.01Å; C142-E144 PolarHBondContact SG-OE1 2.75Å; C142-E144 PolarHBondContact SG-OE2 2.86Å; C142-E144 VanDerWaalsContact SG-OE2 3.39Å
145	K	96.4	Very high	97.7	Very high	11 Å²	11	43.5 Å²	43.5	5%	0.048	25%	0.247	C	C	.	.	S	Bend	trans	-96.2	142.1	178.6	-59.5	-58.4	178.8	-179.1	0	110.7	F138 H139 C142 P143 W147 D180 D184	F138-K145 HydrophobicContact CD1-CB 3.9Å; F138-K145 HydrophobicContact CD1-CG 3.92Å; F138-K145 HydrophobicContact CE1-CG 4.16Å; H139-K145 WeakPolarHBondContact CB-O 3.38Å; H139-K145 PolarHBondContact ND1-O 3.44Å; C142-K145 PolarHBondContact O-N 3.29Å; P143-K145 VanDerWaalsContact C-N 3.28Å; K145-W147 HydrophobicContact CB-CD2 4.4Å; K145-W147 HydrophobicContact CB-CE3 3.62Å; K145-W147 HydrophobicContact CB-CH2 4.35Å; K145-W147 HydrophobicContact CB-CZ3 3.61Å; K145-W147 HydrophobicContact CD-CH2 3.81Å; K145-W147 HydrophobicContact CD-CZ3 3.76Å; K145-W147 HydrophobicContact CG-CE3 4.18Å; K145-W147 HydrophobicContact CG-CH2 4.22Å; K145-W147 HydrophobicContact CG-CZ3 3.63Å; K145-D180 IonicContact NZ-OD1 3.84Å; K145-D180 IonicContact NZ-OD2 3.91Å; K145-D180 PolarHBondContact NZ-OD2 2.93Å; K145-D184 VanDerWaalsContact CE-OD1 3.25Å; K145-D184 WeakPolarHBondContact CE-OD1 3.21Å; K145-D184 IonicContact NZ-OD1 4Å; K145-D184 PolarHBondContact NZ-OD1 2.95Å; K145-D184 IonicContact NZ-OD2 2.79Å; K145-D184 PolarHBondContact NZ-OD2 3.44Å
146	P	96.9	Very high	97.7	Very high	91 Å²	91	40.1 Å²	40.1	59%	0.591	22%	0.219	S	C	*	.			trans	-88	-5.3	-170.7	35.2	-37.1	0	0	0	114.5
147	W	98.1	Very high	97.8	Very high	17 Å²	17	36.9 Å²	36.9	6%	0.064	20%	0.204	C	C	.	.			trans	-80.1	126.6	-168.5	-45.4	-70.1	0	0	0	112.3	F138 H139 K145 D184 Y187 E188	F138-W147 HydrophobicContact CB-CB 4.04Å; F138-W147 HydrophobicContact CB-CE3 3.76Å; F138-W147 AromaticContact CD1-CE3 3.67Å; F138-W147 HydrophobicContact CD1-CE3 3.67Å; F138-W147 AromaticContact CD1-CZ3 3.71Å; F138-W147 HydrophobicContact CD1-CZ3 3.71Å; F138-W147 HydrophobicContact CD2-CE3 4.04Å; F138-W147 HydrophobicContact CD2-CZ3 4.4Å; F138-W147 HydrophobicContact CE1-CE3 4.23Å; F138-W147 AromaticContact CE1-CZ3 3.83Å; F138-W147 HydrophobicContact CE1-CZ3 3.83Å; F138-W147 AromaticContact CG-CE3 3.54Å; F138-W147 HydrophobicContact CG-CE3 3.54Å; F138-W147 HydrophobicContact CG-CZ3 4.01Å; F138-W147 HydrophobicContact CZ-CZ3 4.24Å; H139-W147 WeakPolarHBondContact CB-O 3.2Å; H139-W147 PolarHBondContact N-O 3.23Å; K145-W147 HydrophobicContact CB-CD2 4.4Å; K145-W147 HydrophobicContact CB-CE3 3.62Å; K145-W147 HydrophobicContact CB-CH2 4.35Å; K145-W147 HydrophobicContact CB-CZ3 3.61Å; K145-W147 HydrophobicContact CD-CH2 3.81Å; K145-W147 HydrophobicContact CD-CZ3 3.76Å; K145-W147 HydrophobicContact CG-CE3 4.18Å; K145-W147 HydrophobicContact CG-CH2 4.22Å; K145-W147 HydrophobicContact CG-CZ3 3.63Å; W147-D184 HydrophobicContact CH2-CB 3.91Å; W147-D184 WeakPolarHBondContact CH2-OD1 3.26Å; W147-D184 HydrophobicContact CZ2-CB 3.95Å; W147-Y187 HydrophobicContact CB-CD1 4.37Å; W147-Y187 HydrophobicContact CB-CE1 3.59Å; W147-Y187 AromaticContact CD2-CD1 3.27Å; W147-Y187 HydrophobicContact CD2-CD1 3.27Å; W147-Y187 AromaticContact CD2-CE1 3.44Å; W147-Y187 HydrophobicContact CD2-CE1 3.44Å; W147-Y187 VanDerWaalsContact CD2-CE1 3.44Å; W147-Y187 HydrophobicContact CD2-CG 4.39Å; W147-Y187 AromaticContact CE2-CD1 3.61Å; W147-Y187 AromaticContact CE3-CD1 3.3Å; W147-Y187 HydrophobicContact CE3-CD1 3.3Å; W147-Y187 AromaticContact CE3-CE1 3.52Å; W147-Y187 HydrophobicContact CE3-CE1 3.52Å; W147-Y187 HydrophobicContact CE3-CG 4.08Å; W147-Y187 AromaticContact CG-CD1 3.74Å; W147-Y187 HydrophobicContact CG-CD1 3.74Å; W147-Y187 AromaticContact CG-CE1 3.45Å; W147-Y187 HydrophobicContact CG-CE1 3.45Å; W147-Y187 VanDerWaalsContact CG-CE1 3.45Å; W147-Y187 HydrophobicContact CH2-CD1 4.02Å; W147-Y187 HydrophobicContact CH2-CG 4.37Å; W147-Y187 AromaticContact CZ2-CD1 4Å; W147-Y187 HydrophobicContact CZ2-CD1 4Å; W147-Y187 AromaticContact CZ3-CD1 3.68Å; W147-Y187 HydrophobicContact CZ3-CD1 3.68Å; W147-Y187 HydrophobicContact CZ3-CE1 4.32Å; W147-Y187 HydrophobicContact CZ3-CG 4.06Å; W147-E188 HydrophobicContact CZ2-CG 3.77Å; W147-E188 VanDerWaalsContact NE1-CG 3.26Å
148	V	97.8	Very high	97.8	Very high	103 Å²	103	35.5 Å²	35.5	62%	0.624	20%	0.197	S	C	*	.			trans	-111.1	2.6	-175.7	-63.6	0	0	0	0	113	N137 H139 K150	N137-V148 WeakPolarHBondContact CB-O 3.42Å; H139-V148 HydrophobicContact CB-CG1 4.31Å; V148-K150 PolarHBondContact O-N 3.46Å
149	T	98.3	Very high	97.8	Very high	26 Å²	26	36.6 Å²	36.6	16%	0.16	20%	0.202	C	C	.	.	S	Bend	trans	-60.7	128.2	171.7	-58.4	0	0	0	0	109.1	N137 L151 E192 D195 A196 I201	N137-T149 WeakPolarHBondContact CB-O 3.32Å; T149-L151 PolarHBondContact O-N 2.93Å; T149-E192 WeakPolarHBondContact CB-OE1 3.34Å; T149-E192 HydrophobicContact CG2-CG 4.09Å; T149-E192 PolarHBondContact OG1-OE1 3.26Å; T149-D195 HydrophobicContact CG2-CB 4.12Å; T149-A196 HydrophobicContact CG2-CB 3.91Å; T149-I201 HydrophobicContact CG2-CD1 4Å
150	K	98.4	Very high	97.8	Very high	63 Å²	63	36 Å²	36	27%	0.274	20%	0.2	S	C	.	.	B	Isolated β-bridge	trans	-59.5	131.5	177.8	-175.7	-179.4	169.3	-167.1	0	109	F134 V148 N199 I201	F134-K150 VanDerWaalsContact CD1-CE 3.46Å; F134-K150 HydrophobicContact CE1-CG 4.43Å; F134-K150 WeakPolarHBondContact O-CE 3.36Å; F134-K150 PolarHBondContact O-NZ 2.89Å; V148-K150 PolarHBondContact O-N 3.46Å; K150-N199 HydrophobicContact CB-CB 4.42Å; K150-N199 HydrophobicContact CD-CB 4.43Å; K150-N199 WeakPolarHBondContact CD-OD1 3.34Å; K150-N199 WeakPolarHBondContact CE-OD1 3.39Å; K150-N199 PolarHBondContact NZ-OD1 2.89Å; K150-N199 PolarHBondContact O-ND2 3.49Å; K150-I201 HydrophobicContact CB-CD1 4.08Å
151	L	98.8	Very high	97.9	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-73.7	143.3	-178.5	-62.1	174.8	0	0	0	111.4	H129 E136 F138 L141 T149 L156 L159 Y187 D195 N199	H129-L151 PolarHBondContact ND1-O 2.75Å; E136-L151 PolarHBondContact O-N 2.87Å; F138-L151 HydrophobicContact CD2-CD2 3.75Å; F138-L151 HydrophobicContact CE2-CD2 4.47Å; L141-L151 HydrophobicContact CD1-CD1 3.98Å; T149-L151 PolarHBondContact O-N 2.93Å; L151-L156 HydrophobicContact CB-CD2 4.23Å; L151-L156 HydrophobicContact CB-CG 4.06Å; L151-L156 HydrophobicContact CD1-CD2 3.77Å; L151-L156 HydrophobicContact CD1-CG 4.36Å; L151-L159 HydrophobicContact CD1-CD1 3.82Å; L151-Y187 HydrophobicContact CD2-CE2 4.25Å; L151-Y187 WeakPolarHBondContact CD2-OH 3.49Å; L151-D195 VanDerWaalsContact CD2-OD2 3.27Å; L151-D195 WeakPolarHBondContact CD2-OD2 3.26Å; L151-N199 VanDerWaalsContact C-ND2 3.33Å; L151-N199 PolarHBondContact O-ND2 3.17Å
152	S	98.8	Very high	97.9	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.17	C	C	.	.			trans	-96.1	-173.9	159.1	71.1	0	0	0	0	109.6	D79 A154 G155 L156 D195 N199	D79-S152 VanDerWaalsContact CG-CB 3.41Å; D79-S152 VanDerWaalsContact CG-OG 3.24Å; D79-S152 WeakPolarHBondContact OD1-CB 3.34Å; D79-S152 PolarHBondContact OD1-OG 3.04Å; S152-A154 VanDerWaalsContact C-N 3.31Å; S152-A154 PolarHBondContact O-N 2.85Å; S152-G155 PolarHBondContact O-N 3.27Å; S152-L156 WeakPolarHBondContact O-CG 3.34Å; S152-L156 PolarHBondContact O-N 3.5Å; S152-D195 PolarHBondContact N-OD1 3.45Å; S152-D195 PolarHBondContact OG-OD1 3.31Å; S152-N199 PolarHBondContact N-ND2 3.42Å
153	S	98.8	Very high	98	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-64.5	-35.6	-177.9	-49.2	0	0	0	0	112.5	D79 D115 Y127 L156 V157	D79-S153 PolarHBondContact OD1-N 3.46Å; D79-S153 WeakPolarHBondContact OD2-CA 3.25Å; D79-S153 WeakPolarHBondContact OD2-CB 3.32Å; D79-S153 PolarHBondContact OD2-N 3.04Å; D79-S153 PolarHBondContact OD2-OG 3.3Å; D115-S153 WeakPolarHBondContact CA-OG 3.29Å; D115-S153 VanDerWaalsContact CB-OG 3.31Å; D115-S153 WeakPolarHBondContact CB-OG 3.48Å; D115-S153 PolarHBondContact N-OG 3.08Å; D115-S153 PolarHBondContact OD1-OG 3.39Å; Y127-S153 VanDerWaalsContact O-CB 3.25Å; Y127-S153 WeakPolarHBondContact O-CB 3.12Å; Y127-S153 PolarHBondContact O-OG 2.91Å; Y127-S153 VanDerWaalsContact O-OG 3.08Å; S153-L156 PolarHBondContact O-N 3.07Å; S153-V157 WeakPolarHBondContact O-CB 3.46Å; S153-V157 WeakPolarHBondContact O-CG2 3.42Å; S153-V157 PolarHBondContact O-N 3.33Å
154	A	98.9	Very high	98.1	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-62.9	-47.6	173.7	0	0	0	0	0	111.5	D79 L82 A83 S152 L156 V157 Y158 V194	D79-A154 WeakPolarHBondContact O-CB 3.36Å; D79-A154 WeakPolarHBondContact OD1-CA 3.37Å; D79-A154 WeakPolarHBondContact OD1-CB 3.4Å; D79-A154 PolarHBondContact OD1-N 3.29Å; L82-A154 HydrophobicContact CB-CB 4.09Å; L82-A154 HydrophobicContact CD2-CB 4.05Å; L82-A154 HydrophobicContact CG-CB 4.19Å; A83-A154 HydrophobicContact CB-CB 4.44Å; S152-A154 VanDerWaalsContact C-N 3.31Å; S152-A154 PolarHBondContact O-N 2.85Å; A154-L156 VanDerWaalsContact C-N 3.34Å; A154-V157 PolarHBondContact O-N 3.03Å; A154-Y158 VanDerWaalsContact O-CB 3.28Å; A154-Y158 WeakPolarHBondContact O-CB 3.45Å; A154-Y158 PolarHBondContact O-N 3.31Å; A154-V194 HydrophobicContact CB-CG1 4.23Å
155	G	98.8	Very high	98.3	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-62.1	-41	175.1	0	0	0	0	0	112.4	S152 Y158 L159 D195	S152-G155 PolarHBondContact O-N 3.27Å; G155-Y158 PolarHBondContact O-N 3.38Å; G155-L159 WeakPolarHBondContact O-CB 3.36Å; G155-L159 PolarHBondContact O-N 3.16Å; G155-D195 WeakPolarHBondContact CA-OD1 3.35Å; G155-D195 PolarHBondContact N-OD1 2.93Å; G155-D195 VanDerWaalsContact N-OD1 3.1Å
156	L	98.8	Very high	98.4	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-61.2	-48	173.8	-74.9	174.8	0	0	0	112.2	F120 Y127 F134 L141 L151 S152 S153 A154 Y158 L159 H160	F120-L156 HydrophobicContact CD2-CD1 3.82Å; F120-L156 HydrophobicContact CD2-CD2 4Å; F120-L156 HydrophobicContact CE1-CD2 4.37Å; F120-L156 HydrophobicContact CE2-CD1 4.13Å; F120-L156 HydrophobicContact CE2-CD2 3.5Å; F120-L156 VanDerWaalsContact CE2-CD2 3.5Å; F120-L156 HydrophobicContact CE2-CG 4.32Å; F120-L156 HydrophobicContact CG-CD1 4.44Å; F120-L156 HydrophobicContact CZ-CD2 3.69Å; Y127-L156 HydrophobicContact CD1-CB 4.01Å; F134-L156 HydrophobicContact CE2-CD1 4.21Å; F134-L156 HydrophobicContact CE2-CD2 4.47Å; F134-L156 HydrophobicContact CZ-CD1 3.91Å; F134-L156 HydrophobicContact CZ-CD2 4.06Å; F134-L156 HydrophobicContact CZ-CG 4.29Å; L141-L156 HydrophobicContact CD1-CD2 4Å; L151-L156 HydrophobicContact CB-CD2 4.23Å; L151-L156 HydrophobicContact CB-CG 4.06Å; L151-L156 HydrophobicContact CD1-CD2 3.77Å; L151-L156 HydrophobicContact CD1-CG 4.36Å; S152-L156 WeakPolarHBondContact O-CG 3.34Å; S152-L156 PolarHBondContact O-N 3.5Å; S153-L156 PolarHBondContact O-N 3.07Å; A154-L156 VanDerWaalsContact C-N 3.34Å; L156-Y158 VanDerWaalsContact C-N 3.31Å; L156-Y158 PolarHBondContact O-N 3.44Å; L156-L159 PolarHBondContact O-N 2.91Å; L156-H160 PolarHBondContact O-CD2 2.83Å; L156-H160 PolarHBondContact O-N 3.42Å; L156-H160 VanDerWaalsContact O-N 3.15Å
157	V	98.9	Very high	98.5	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.006	11%	0.109	C	C	.	.	H	α-helix	trans	-61.5	-42.2	175.2	167.7	0	0	0	0	110.6	A83 F86 L87 V114 Y127 S153 A154 H160 F161	A83-V157 HydrophobicContact CB-CB 4.45Å; A83-V157 HydrophobicContact CB-CG2 4.11Å; F86-V157 HydrophobicContact CB-CG1 3.91Å; F86-V157 HydrophobicContact CD2-CG1 4.27Å; L87-V157 HydrophobicContact CD1-CG2 4.45Å; L87-V157 HydrophobicContact CD2-CG1 3.89Å; L87-V157 HydrophobicContact CG-CG1 3.95Å; V114-V157 HydrophobicContact CG1-CG2 3.81Å; Y127-V157 HydrophobicContact CD2-CG2 4.24Å; Y127-V157 HydrophobicContact CG-CG2 4.23Å; S153-V157 WeakPolarHBondContact O-CB 3.46Å; S153-V157 WeakPolarHBondContact O-CG2 3.42Å; S153-V157 PolarHBondContact O-N 3.33Å; A154-V157 PolarHBondContact O-N 3.03Å; V157-H160 PolarHBondContact O-N 2.83Å; V157-F161 HydrophobicContact CG1-CD2 4.15Å; V157-F161 WeakPolarHBondContact O-CB 3.36Å; V157-F161 WeakPolarHBondContact O-CD2 3.1Å; V157-F161 PolarHBondContact O-N 2.71Å
158	Y	98.9	Very high	98.4	Very high	1 Å²	1	26.1 Å²	26.1	0%	0.004	13%	0.126	C	C	.	.	H	α-helix	trans	-65.4	-40.4	178.3	-166.9	-97.8	0	0	0	112.4	F86 F138 A154 G155 L156 H160 G162 L165 F183 L186 Y187 V191 F249	F86-Y158 HydrophobicContact CD2-CD2 4.21Å; F86-Y158 AromaticContact CE2-CD2 3.61Å; F86-Y158 HydrophobicContact CE2-CD2 3.61Å; F86-Y158 HydrophobicContact CE2-CG 4.24Å; F86-Y158 AromaticContact CZ-CD2 3.8Å; F86-Y158 HydrophobicContact CZ-CD2 3.8Å; F86-Y158 HydrophobicContact CZ-CE2 4.34Å; F138-Y158 HydrophobicContact CE2-CD1 4.4Å; F138-Y158 HydrophobicContact CZ-CD1 4.42Å; A154-Y158 VanDerWaalsContact O-CB 3.28Å; A154-Y158 WeakPolarHBondContact O-CB 3.45Å; A154-Y158 PolarHBondContact O-N 3.31Å; G155-Y158 PolarHBondContact O-N 3.38Å; L156-Y158 VanDerWaalsContact C-N 3.31Å; L156-Y158 PolarHBondContact O-N 3.44Å; Y158-H160 VanDerWaalsContact C-N 3.35Å; Y158-H160 PolarHBondContact O-N 3.07Å; Y158-G162 WeakPolarHBondContact O-CA 3.31Å; Y158-G162 PolarHBondContact O-N 2.63Å; Y158-L165 HydrophobicContact CD2-CD2 4.37Å; Y158-L165 HydrophobicContact CE2-CD2 4.38Å; Y158-F183 HydrophobicContact CD1-CD2 4.48Å; Y158-F183 AromaticContact CD1-CE2 3.91Å; Y158-F183 HydrophobicContact CD1-CE2 3.91Å; Y158-F183 AromaticContact CD1-CZ 3.97Å; Y158-F183 HydrophobicContact CD1-CZ 3.97Å; Y158-F183 HydrophobicContact CE1-CD1 4.24Å; Y158-F183 AromaticContact CE1-CD2 3.67Å; Y158-F183 HydrophobicContact CE1-CD2 3.67Å; Y158-F183 HydrophobicContact CE1-CE1 4.1Å; Y158-F183 AromaticContact CE1-CE2 3.53Å; Y158-F183 HydrophobicContact CE1-CE2 3.53Å; Y158-F183 HydrophobicContact CE1-CG 4.05Å; Y158-F183 AromaticContact CE1-CZ 3.78Å; Y158-F183 HydrophobicContact CE1-CZ 3.78Å; Y158-F183 AromaticContact CZ-CD2 3.85Å; Y158-F183 WeakPolarHBondContact O-CE2 3.35Å; Y158-F183 WeakPolarHBondContact OH-CA 3.44Å; Y158-F183 PolarHBondContact OH-O 3.44Å; Y158-F183 VanDerWaalsContact OH-O 3.07Å; Y158-L186 WeakPolarHBondContact OH-CB 3.49Å; Y158-Y187 AromaticContact CD1-CD2 3.99Å; Y158-Y187 HydrophobicContact CD1-CD2 3.99Å; Y158-Y187 HydrophobicContact CE1-CD2 4.37Å; Y158-V191 HydrophobicContact CD1-CG2 4.38Å; Y158-V191 HydrophobicContact CD2-CG2 3.94Å; Y158-V191 HydrophobicContact CE2-CG2 4.14Å; Y158-V191 HydrophobicContact CG-CG1 4.29Å; Y158-V191 HydrophobicContact CG-CG2 4.05Å; Y158-F249 HydrophobicContact CE2-CE2 4.4Å; Y158-F249 HydrophobicContact CE2-CZ 4.31Å
159	L	98.6	Very high	98.4	Very high	23 Å²	23	23.6 Å²	23.6	12%	0.12	11%	0.109	C	C	.	.	H	α-helix	trans	-58.8	-47.1	176	-174.5	152.8	0	0	0	111.3	F138 L141 L151 G155 L156	F138-L159 HydrophobicContact CD1-CD1 3.92Å; F138-L159 HydrophobicContact CD1-CG 4.39Å; F138-L159 HydrophobicContact CD2-CD1 4.16Å; F138-L159 HydrophobicContact CE1-CB 4.33Å; F138-L159 HydrophobicContact CE1-CD1 3.99Å; F138-L159 HydrophobicContact CE1-CG 3.93Å; F138-L159 HydrophobicContact CE2-CB 3.86Å; F138-L159 HydrophobicContact CE2-CD1 4.2Å; F138-L159 HydrophobicContact CE2-CG 4.27Å; F138-L159 HydrophobicContact CG-CD1 4.02Å; F138-L159 HydrophobicContact CZ-CB 3.74Å; F138-L159 HydrophobicContact CZ-CD1 4.13Å; F138-L159 HydrophobicContact CZ-CG 3.88Å; L141-L159 HydrophobicContact CB-CD1 3.76Å; L141-L159 HydrophobicContact CD1-CD1 4.02Å; L151-L159 HydrophobicContact CD1-CD1 3.82Å; G155-L159 WeakPolarHBondContact O-CB 3.36Å; G155-L159 PolarHBondContact O-N 3.16Å; L156-L159 PolarHBondContact O-N 2.91Å
160	H	98.4	Very high	98.4	Very high	71 Å²	71	22.7 Å²	22.7	33%	0.329	10%	0.103	S	C	.	.	H	α-helix	trans	-84	-30	-174.6	-72.2	-67.9	0	0	0	114.4	F120 Y127 L156 V157 Y158	F120-H160 AromaticContact CE2-NE2 3.87Å; F120-H160 AromaticContact CZ-NE2 3.73Å; Y127-H160 HydrophobicContact CE1-CB 4.32Å; Y127-H160 AromaticContact CE1-CD2 3.41Å; Y127-H160 VanDerWaalsContact CE1-CD2 3.41Å; Y127-H160 WeakPolarHBondContact CE1-CD2 3.12Å; Y127-H160 AromaticContact CE1-CG 3.98Å; L156-H160 PolarHBondContact O-CD2 2.83Å; L156-H160 PolarHBondContact O-N 3.42Å; L156-H160 VanDerWaalsContact O-N 3.15Å; V157-H160 PolarHBondContact O-N 2.83Å; Y158-H160 VanDerWaalsContact C-N 3.35Å; Y158-H160 PolarHBondContact O-N 3.07Å
161	F	98.5	Very high	98.3	Very high	14 Å²	14	27 Å²	27	6%	0.061	12%	0.124	C	C	.	.	H	α-helix	trans	-121.7	-11	-173.1	-60.6	-83.6	0	0	0	114.3	L87 L90 I112 H125 Y127 V157 R163 R164 L165	L87-F161 HydrophobicContact CD2-CD2 4.17Å; L87-F161 HydrophobicContact CD2-CE2 4.22Å; L87-F161 HydrophobicContact CD2-CG 4.49Å; L90-F161 HydrophobicContact CD1-CB 4.09Å; L90-F161 HydrophobicContact CD1-CD1 3.63Å; L90-F161 HydrophobicContact CD1-CE1 4.35Å; L90-F161 HydrophobicContact CD1-CG 4.07Å; I112-F161 HydrophobicContact CD1-CE2 4.07Å; I112-F161 HydrophobicContact CD1-CZ 4.17Å; H125-F161 AromaticContact CE1-CZ 3.87Å; H125-F161 AromaticContact ND1-CZ 3.73Å; Y127-F161 AromaticContact CE2-CE2 3.73Å; Y127-F161 HydrophobicContact CE2-CE2 3.73Å; Y127-F161 HydrophobicContact CE2-CZ 4.31Å; Y127-F161 AromaticContact CZ-CE2 3.6Å; Y127-F161 VanDerWaalsContact OH-CE2 3.28Å; Y127-F161 WeakPolarHBondContact OH-CE2 3.44Å; V157-F161 HydrophobicContact CG1-CD2 4.15Å; V157-F161 WeakPolarHBondContact O-CB 3.36Å; V157-F161 WeakPolarHBondContact O-CD2 3.1Å; V157-F161 PolarHBondContact O-N 2.71Å; F161-R163 VanDerWaalsContact C-N 3.32Å; F161-R163 PolarHBondContact O-N 2.82Å; F161-R164 WeakPolarHBondContact O-CB 3.36Å; F161-R164 PolarHBondContact O-N 3.23Å; F161-L165 WeakPolarHBondContact O-CB 3.47Å; F161-L165 PolarHBondContact O-N 2.89Å
162	G	98.3	Very high	98.2	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-59.3	-37.3	-170	0	0	0	0	0	113.4	Y158 L165 L166	Y158-G162 WeakPolarHBondContact O-CA 3.31Å; Y158-G162 PolarHBondContact O-N 2.63Å; G162-L165 WeakPolarHBondContact O-CB 3.5Å; G162-L165 PolarHBondContact O-N 3.2Å; G162-L166 WeakPolarHBondContact O-CB 3.37Å; G162-L166 WeakPolarHBondContact O-CG 3.37Å; G162-L166 PolarHBondContact O-N 3Å
163	R	98	Very high	98	Very high	64 Å²	64	36.2 Å²	36.2	24%	0.242	17%	0.165	C	C	.	.	H	α-helix	trans	-64.9	-44.7	174.9	-70.7	-174.5	179.4	72.9	0.9	112.6	F161 L166 A167 L179 D180 F183	F161-R163 VanDerWaalsContact C-N 3.32Å; F161-R163 PolarHBondContact O-N 2.82Å; R163-L166 PolarHBondContact O-N 3.11Å; R163-A167 WeakPolarHBondContact O-CB 3.41Å; R163-A167 PolarHBondContact O-N 3.15Å; R163-L179 HydrophobicContact CB-CD2 4.01Å; R163-L179 HydrophobicContact CG-CD2 4Å; R163-D180 IonicContact CZ-OD1 3.79Å; R163-D180 IonicContact NE-OD1 3.72Å; R163-D180 PolarHBondContact NE-OD1 2.96Å; R163-D180 IonicContact NH2-OD1 3.91Å; R163-D180 PolarHBondContact NH2-OD1 3.01Å; R163-F183 HydrophobicContact CG-CD2 3.64Å; R163-F183 HydrophobicContact CG-CE2 3.89Å; R163-F183 HydrophobicContact CG-CG 4.2Å
164	R	98.1	Very high	97.7	Very high	82 Å²	82	41.3 Å²	41.3	31%	0.309	19%	0.189	S	C	.	.	H	α-helix	trans	-62.5	-45.7	175.5	-65.7	-178.8	61.6	-141.4	-10.4	111.4	L90 E92 F161 A167 Q168 E174	L90-R164 HydrophobicContact CD2-CB 3.92Å; E92-R164 IonicContact OE1-CZ 2.75Å; E92-R164 VanDerWaalsContact OE1-CZ 3.27Å; E92-R164 IonicContact OE1-NH1 3.57Å; E92-R164 PolarHBondContact OE1-NH1 3.1Å; E92-R164 IonicContact OE1-NH2 2.89Å; E92-R164 PolarHBondContact OE1-NH2 2.78Å; E92-R164 IonicContact OE2-NH2 2.81Å; E92-R164 PolarHBondContact OE2-NH2 2.9Å; F161-R164 WeakPolarHBondContact O-CB 3.36Å; F161-R164 PolarHBondContact O-N 3.23Å; R164-A167 PolarHBondContact O-N 3.22Å; R164-Q168 WeakPolarHBondContact O-CB 3.45Å; R164-Q168 PolarHBondContact O-N 2.83Å; R164-E174 WeakPolarHBondContact CG-OE2 3.46Å
165	L	98.1	Very high	97.4	Very high	2 Å²	2	48 Å²	48	1%	0.01	23%	0.225	C	C	.	.	H	α-helix	trans	-54.1	-53	174.2	162.2	69.7	0	0	0	110.7	F86 Q89 L90 Y158 F161 G162 Q168 L169 F249	F86-L165 HydrophobicContact CB-CD2 3.98Å; F86-L165 HydrophobicContact CD1-CD2 3.38Å; F86-L165 HydrophobicContact CD2-CD2 4.39Å; F86-L165 HydrophobicContact CE1-CD2 3.87Å; F86-L165 HydrophobicContact CG-CD2 3.68Å; Q89-L165 HydrophobicContact CB-CD1 3.29Å; Q89-L165 HydrophobicContact CG-CD1 3.49Å; Q89-L165 VanDerWaalsContact CG-CD1 3.49Å; L90-L165 HydrophobicContact CD2-CB 4.43Å; Y158-L165 HydrophobicContact CD2-CD2 4.37Å; Y158-L165 HydrophobicContact CE2-CD2 4.38Å; F161-L165 WeakPolarHBondContact O-CB 3.47Å; F161-L165 PolarHBondContact O-N 2.89Å; G162-L165 WeakPolarHBondContact O-CB 3.5Å; G162-L165 PolarHBondContact O-N 3.2Å; L165-Q168 PolarHBondContact O-N 3.32Å; L165-L169 HydrophobicContact CD1-CD1 3.62Å; L165-L169 HydrophobicContact CD1-CG 4.16Å; L165-L169 HydrophobicContact CG-CD1 4.13Å; L165-L169 WeakPolarHBondContact O-CG 3.43Å; L165-L169 PolarHBondContact O-N 2.7Å; L165-F249 HydrophobicContact CD2-CE1 4.41Å; L165-F249 HydrophobicContact CD2-CZ 4.27Å
166	L	98.6	Very high	97.2	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-67	-38.6	-178.9	-69.3	-173.3	0	0	0	111.9	G162 R163 Q168 L169 T170 L179 L182 F183 L186 F249 L253	G162-L166 WeakPolarHBondContact O-CB 3.37Å; G162-L166 WeakPolarHBondContact O-CG 3.37Å; G162-L166 PolarHBondContact O-N 3Å; R163-L166 PolarHBondContact O-N 3.11Å; L166-Q168 VanDerWaalsContact C-N 3.31Å; L166-Q168 PolarHBondContact O-N 3.39Å; L166-L169 PolarHBondContact O-N 2.75Å; L166-T170 VanDerWaalsContact O-CB 3.25Å; L166-T170 WeakPolarHBondContact O-CB 3.48Å; L166-T170 VanDerWaalsContact O-CG2 3.24Å; L166-T170 WeakPolarHBondContact O-CG2 3.39Å; L166-T170 PolarHBondContact O-N 3.39Å; L166-T170 PolarHBondContact O-OG1 3.39Å; L166-L179 HydrophobicContact CB-CD1 4.07Å; L166-L179 HydrophobicContact CB-CG 4.22Å; L166-L182 HydrophobicContact CD1-CB 4.32Å; L166-F183 HydrophobicContact CD1-CB 3.98Å; L166-F183 HydrophobicContact CD1-CD2 4.37Å; L166-L186 HydrophobicContact CD1-CD1 4.06Å; L166-L186 HydrophobicContact CD2-CD1 3.65Å; L166-F249 HydrophobicContact CD2-CE1 4.41Å; L166-F249 HydrophobicContact CD2-CZ 4.1Å; L166-L253 HydrophobicContact CD2-CD1 3.87Å; L166-L253 HydrophobicContact CD2-CD2 4.07Å
167	A	98.3	Very high	97.1	Very high	11 Å²	11	60 Å²	60	9%	0.091	27%	0.274	C	S	.	.	H	α-helix	trans	-60	-45.3	175.8	0	0	0	0	0	110.5	R163 R164 T170 Q171 M172 E174 L179	R163-A167 WeakPolarHBondContact O-CB 3.41Å; R163-A167 PolarHBondContact O-N 3.15Å; R164-A167 PolarHBondContact O-N 3.22Å; A167-T170 PolarHBondContact O-N 3.01Å; A167-Q171 VanDerWaalsContact O-CA 3.25Å; A167-Q171 WeakPolarHBondContact O-CA 3.3Å; A167-Q171 PolarHBondContact O-N 3.38Å; A167-M172 WeakPolarHBondContact CA-O 3.39Å; A167-M172 WeakPolarHBondContact CB-O 3.44Å; A167-E174 HydrophobicContact CB-CG 3.55Å; A167-L179 VanDerWaalsContact CA-CD1 3.49Å; A167-L179 HydrophobicContact CB-CD1 3.76Å
168	Q	97.6	Very high	97	Very high	87 Å²	87	64.2 Å²	64.2	41%	0.407	29%	0.294	S	S	.	.	H	α-helix	trans	-62.3	-44.9	176.3	-177.7	62.9	9.5	0	0	112.5	Q89 R164 L165 L166 Q171	Q89-Q168 WeakPolarHBondContact O-CG 3.42Å; R164-Q168 WeakPolarHBondContact O-CB 3.45Å; R164-Q168 PolarHBondContact O-N 2.83Å; L165-Q168 PolarHBondContact O-N 3.32Å; L166-Q168 VanDerWaalsContact C-N 3.31Å; L166-Q168 PolarHBondContact O-N 3.39Å; Q168-Q171 PolarHBondContact O-NE2 2.91Å
169	L	97.8	Very high	96.9	Very high	51 Å²	51	64.2 Å²	64.2	27%	0.267	29%	0.294	S	S	.	.	H	α-helix	trans	-73.9	-32.1	-178.7	-69.2	175.5	0	0	0	113.2	Q89 L165 L166 F249 L250 L253	Q89-L169 HydrophobicContact CB-CD2 4.27Å; Q89-L169 HydrophobicContact CB-CG 4.49Å; Q89-L169 HydrophobicContact CG-CD1 4.37Å; Q89-L169 HydrophobicContact CG-CD2 4.25Å; L165-L169 HydrophobicContact CD1-CD1 3.62Å; L165-L169 HydrophobicContact CD1-CG 4.16Å; L165-L169 HydrophobicContact CG-CD1 4.13Å; L165-L169 WeakPolarHBondContact O-CG 3.43Å; L165-L169 PolarHBondContact O-N 2.7Å; L166-L169 PolarHBondContact O-N 2.75Å; L169-F249 HydrophobicContact CD1-CE1 4.01Å; L169-L250 HydrophobicContact CD1-CD2 3.96Å; L169-L250 HydrophobicContact CD2-CD2 3.94Å; L169-L253 HydrophobicContact CB-CD2 3.67Å; L169-L253 HydrophobicContact CD1-CD2 3.72Å; L169-L253 HydrophobicContact CG-CD2 4.35Å
170	T	97.3	Very high	96.8	Very high	6 Å²	6	65.8 Å²	65.8	4%	0.037	30%	0.302	C	S	.	.	H	α-helix	trans	-99.8	-17.2	-173.1	65.2	0	0	0	0	113.9	L166 A167 M172 L182 L253 K257	L166-T170 VanDerWaalsContact O-CB 3.25Å; L166-T170 WeakPolarHBondContact O-CB 3.48Å; L166-T170 VanDerWaalsContact O-CG2 3.24Å; L166-T170 WeakPolarHBondContact O-CG2 3.39Å; L166-T170 PolarHBondContact O-N 3.39Å; L166-T170 PolarHBondContact O-OG1 3.39Å; A167-T170 PolarHBondContact O-N 3.01Å; T170-M172 PolarHBondContact O-N 3.39Å; T170-M172 WeakPolarHBondContact OG1-CB 3.44Å; T170-M172 PolarHBondContact OG1-N 3.44Å; T170-L182 HydrophobicContact CG2-CD1 4.42Å; T170-L253 HydrophobicContact CG2-CD1 3.76Å; T170-L253 HydrophobicContact CG2-CD2 4.14Å; T170-L253 HydrophobicContact CG2-CG 4.32Å; T170-K257 HydrophobicContact CG2-CD 3.88Å; T170-K257 PolarHBondContact O-NZ 3.43Å
171	Q	95.7	Very high	96.8	Very high	155 Å²	155	64.3 Å²	64.3	72%	0.724	30%	0.298	S	S	*	.			trans	63.4	18.4	-170	-53.6	-67.4	-58.5	0	0	113.8	A167 Q168	A167-Q171 VanDerWaalsContact O-CA 3.25Å; A167-Q171 WeakPolarHBondContact O-CA 3.3Å; A167-Q171 PolarHBondContact O-N 3.38Å; Q168-Q171 PolarHBondContact O-NE2 2.91Å
172	M	96.3	Very high	96.8	Very high	38 Å²	38	63.7 Å²	63.7	19%	0.187	30%	0.295	C	S	.	.			trans	-81.8	160.7	169.1	-65.2	173.3	173.1	0	0	110.3	A167 T170 Q178 L179 L182 K257	A167-M172 WeakPolarHBondContact CA-O 3.39Å; A167-M172 WeakPolarHBondContact CB-O 3.44Å; T170-M172 PolarHBondContact O-N 3.39Å; T170-M172 WeakPolarHBondContact OG1-CB 3.44Å; T170-M172 PolarHBondContact OG1-N 3.44Å; M172-Q178 HydrophobicContact SD-CB 4.43Å; M172-L179 HydrophobicContact CB-CB 4.37Å; M172-L179 HydrophobicContact CB-CD1 3.96Å; M172-L179 HydrophobicContact SD-CB 4.4Å; M172-L182 HydrophobicContact CE-CD1 4.31Å; M172-L182 HydrophobicContact SD-CD1 3.97Å; M172-K257 HydrophobicContact CE-CG 4.23Å
173	K	95.4	Very high	96.8	Very high	155 Å²	155	63.7 Å²	63.7	67%	0.674	30%	0.295	S	S	*	.			trans	-76	148.5	173.1	-61.3	-179.9	179.9	177.7	0	110.3	D175 D176	K173-D175 VanDerWaalsContact CB-OD1 3.26Å; K173-D175 WeakPolarHBondContact CB-OD1 3.42Å; K173-D175 PolarHBondContact O-N 3.33Å; K173-D176 HydrophobicContact CB-CB 4.44Å; K173-D176 WeakPolarHBondContact O-CB 3.3Å; K173-D176 PolarHBondContact O-N 2.65Å
174	E	92.3	Very high	96.8	Very high	106 Å²	106	62.3 Å²	62.3	50%	0.495	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-26.4	179.6	-69.9	-176	-146.1	0	0	113.7	R164 A167	R164-E174 WeakPolarHBondContact CG-OE2 3.46Å; A167-E174 HydrophobicContact CB-CG 3.55Å
175	D	92	Very high	96.8	Very high	141 Å²	141	60.1 Å²	60.1	75%	0.754	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	7.6	177.1	66.4	-20.9	0	0	0	113.5	K173 R177	K173-D175 VanDerWaalsContact CB-OD1 3.26Å; K173-D175 WeakPolarHBondContact CB-OD1 3.42Å; K173-D175 PolarHBondContact O-N 3.33Å; D175-R177 PolarHBondContact O-N 2.7Å
176	D	95.4	Very high	96.8	Very high	56 Å²	56	60 Å²	60	30%	0.299	29%	0.285	S	S	.	.			trans	-70.8	128.5	177.4	-163.8	-45.5	0	0	0	110.9	K173 Q178 L179 D180	K173-D176 HydrophobicContact CB-CB 4.44Å; K173-D176 WeakPolarHBondContact O-CB 3.3Å; K173-D176 PolarHBondContact O-N 2.65Å; D176-Q178 PolarHBondContact O-N 2.74Å; D176-Q178 WeakPolarHBondContact OD1-CB 3.48Å; D176-Q178 PolarHBondContact OD1-N 3.45Å; D176-L179 HydrophobicContact CB-CB 4.08Å; D176-L179 WeakPolarHBondContact O-CA 3.39Å; D176-L179 WeakPolarHBondContact O-CB 3.47Å; D176-L179 PolarHBondContact O-N 2.89Å; D176-D180 PolarHBondContact O-N 2.81Å; D176-D180 VanDerWaalsContact O-N 3.11Å
177	R	96.1	Very high	96.8	Very high	197 Å²	197	60 Å²	60	74%	0.743	29%	0.285	S	S	*	.	H	α-helix	trans	-58.6	-34.3	177.1	-166.7	-175	75.9	96.6	-1.8	112.3	D175 L179 D180 V181	D175-R177 PolarHBondContact O-N 2.7Å; R177-L179 VanDerWaalsContact C-N 3.31Å; R177-D180 PolarHBondContact O-N 3.27Å; R177-V181 WeakPolarHBondContact O-CG2 3.2Å; R177-V181 PolarHBondContact O-N 2.9Å; R177-V181 VanDerWaalsContact O-N 3.13Å
178	Q	96.5	Very high	96.8	Very high	89 Å²	89	62.9 Å²	62.9	42%	0.416	30%	0.297	S	S	.	.	H	α-helix	trans	-66.4	-36.5	175.8	-70.6	-170.3	-13.6	0	0	111.6	M172 D176 V181 L182 L261	M172-Q178 HydrophobicContact SD-CB 4.43Å; D176-Q178 PolarHBondContact O-N 2.74Å; D176-Q178 WeakPolarHBondContact OD1-CB 3.48Å; D176-Q178 PolarHBondContact OD1-N 3.45Å; Q178-V181 PolarHBondContact O-N 3.05Å; Q178-L182 WeakPolarHBondContact O-CG 3.47Å; Q178-L182 PolarHBondContact O-N 3.14Å; Q178-L261 HydrophobicContact CB-CD2 3.89Å; Q178-L261 HydrophobicContact CG-CD2 4.07Å
179	L	97.9	Very high	96.7	Very high	1 Å²	1	61.7 Å²	61.7	1%	0.005	29%	0.293	C	S	.	.	H	α-helix	trans	-67.2	-37.8	176	-177.5	142.3	0	0	0	111.4	R163 L166 A167 M172 D176 R177 V181 L182 F183	R163-L179 HydrophobicContact CB-CD2 4.01Å; R163-L179 HydrophobicContact CG-CD2 4Å; L166-L179 HydrophobicContact CB-CD1 4.07Å; L166-L179 HydrophobicContact CB-CG 4.22Å; A167-L179 VanDerWaalsContact CA-CD1 3.49Å; A167-L179 HydrophobicContact CB-CD1 3.76Å; M172-L179 HydrophobicContact CB-CB 4.37Å; M172-L179 HydrophobicContact CB-CD1 3.96Å; M172-L179 HydrophobicContact SD-CB 4.4Å; D176-L179 HydrophobicContact CB-CB 4.08Å; D176-L179 WeakPolarHBondContact O-CA 3.39Å; D176-L179 WeakPolarHBondContact O-CB 3.47Å; D176-L179 PolarHBondContact O-N 2.89Å; R177-L179 VanDerWaalsContact C-N 3.31Å; L179-V181 VanDerWaalsContact C-N 3.35Å; L179-L182 PolarHBondContact O-N 3.32Å; L179-F183 WeakPolarHBondContact O-CB 3.3Å; L179-F183 PolarHBondContact O-N 3.38Å
180	D	97.3	Very high	96.8	Very high	55 Å²	55	60 Å²	60	29%	0.294	28%	0.283	S	S	.	.	H	α-helix	trans	-64	-39.3	173.8	-162.1	60.7	0	0	0	112	K145 R163 D176 R177 L182 F183 D184	K145-D180 IonicContact NZ-OD1 3.84Å; K145-D180 IonicContact NZ-OD2 3.91Å; K145-D180 PolarHBondContact NZ-OD2 2.93Å; R163-D180 IonicContact CZ-OD1 3.79Å; R163-D180 IonicContact NE-OD1 3.72Å; R163-D180 PolarHBondContact NE-OD1 2.96Å; R163-D180 IonicContact NH2-OD1 3.91Å; R163-D180 PolarHBondContact NH2-OD1 3.01Å; D176-D180 PolarHBondContact O-N 2.81Å; D176-D180 VanDerWaalsContact O-N 3.11Å; R177-D180 PolarHBondContact O-N 3.27Å; D180-L182 PolarHBondContact O-N 3.14Å; D180-F183 WeakPolarHBondContact O-CB 3.42Å; D180-F183 PolarHBondContact O-N 3.43Å; D180-D184 PolarHBondContact O-N 2.98Å
181	V	97.3	Very high	96.9	Very high	41 Å²	41	59.7 Å²	59.7	25%	0.248	28%	0.282	C	S	.	.	H	α-helix	trans	-63.3	-41.1	173.1	173.4	0	0	0	0	111.7	R177 Q178 L179 D184 K185 W260 L261	R177-V181 WeakPolarHBondContact O-CG2 3.2Å; R177-V181 PolarHBondContact O-N 2.9Å; R177-V181 VanDerWaalsContact O-N 3.13Å; Q178-V181 PolarHBondContact O-N 3.05Å; L179-V181 VanDerWaalsContact C-N 3.35Å; V181-D184 PolarHBondContact O-N 3.43Å; V181-K185 WeakPolarHBondContact O-CB 3.41Å; V181-K185 WeakPolarHBondContact O-CG 3.18Å; V181-K185 PolarHBondContact O-N 2.81Å; V181-W260 HydrophobicContact CG1-CH2 4.22Å; V181-W260 HydrophobicContact CG1-CZ3 3.76Å; V181-L261 HydrophobicContact CB-CD1 4.43Å; V181-L261 HydrophobicContact CG1-CD1 3.96Å
182	L	98.2	Very high	97	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-65.8	-39.6	175.8	-70.1	176.3	0	0	0	111.9	L166 T170 M172 Q178 L179 D180 D184 K185 L186 K257 L261	L166-L182 HydrophobicContact CD1-CB 4.32Å; T170-L182 HydrophobicContact CG2-CD1 4.42Å; M172-L182 HydrophobicContact CE-CD1 4.31Å; M172-L182 HydrophobicContact SD-CD1 3.97Å; Q178-L182 WeakPolarHBondContact O-CG 3.47Å; Q178-L182 PolarHBondContact O-N 3.14Å; L179-L182 PolarHBondContact O-N 3.32Å; D180-L182 PolarHBondContact O-N 3.14Å; L182-D184 VanDerWaalsContact C-N 3.35Å; L182-K185 PolarHBondContact O-N 2.9Å; L182-L186 WeakPolarHBondContact O-CB 3.15Å; L182-L186 WeakPolarHBondContact O-CG 3.44Å; L182-L186 PolarHBondContact O-N 3.22Å; L182-K257 HydrophobicContact CD1-CB 4.19Å; L182-K257 HydrophobicContact CD1-CG 4.49Å; L182-K257 HydrophobicContact CD2-CB 4.41Å; L182-L261 HydrophobicContact CD2-CD2 4.49Å; L182-L261 HydrophobicContact CG-CD2 4.47Å
183	F	98.6	Very high	97.1	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-57.3	-49.8	175.9	-178.3	-86.9	0	0	0	110.8	F138 Y158 R163 L166 L179 D180 K185 L186 Y187	F138-F183 AromaticContact CE1-CE1 3.81Å; F138-F183 HydrophobicContact CE1-CE1 3.81Å; F138-F183 HydrophobicContact CE1-CZ 4.08Å; F138-F183 AromaticContact CZ-CE1 3.62Å; F138-F183 HydrophobicContact CZ-CE1 3.62Å; F138-F183 AromaticContact CZ-CZ 3.6Å; F138-F183 HydrophobicContact CZ-CZ 3.6Å; Y158-F183 HydrophobicContact CD1-CD2 4.48Å; Y158-F183 AromaticContact CD1-CE2 3.91Å; Y158-F183 HydrophobicContact CD1-CE2 3.91Å; Y158-F183 AromaticContact CD1-CZ 3.97Å; Y158-F183 HydrophobicContact CD1-CZ 3.97Å; Y158-F183 HydrophobicContact CE1-CD1 4.24Å; Y158-F183 AromaticContact CE1-CD2 3.67Å; Y158-F183 HydrophobicContact CE1-CD2 3.67Å; Y158-F183 HydrophobicContact CE1-CE1 4.1Å; Y158-F183 AromaticContact CE1-CE2 3.53Å; Y158-F183 HydrophobicContact CE1-CE2 3.53Å; Y158-F183 HydrophobicContact CE1-CG 4.05Å; Y158-F183 AromaticContact CE1-CZ 3.78Å; Y158-F183 HydrophobicContact CE1-CZ 3.78Å; Y158-F183 AromaticContact CZ-CD2 3.85Å; Y158-F183 WeakPolarHBondContact O-CE2 3.35Å; Y158-F183 WeakPolarHBondContact OH-CA 3.44Å; Y158-F183 PolarHBondContact OH-O 3.44Å; Y158-F183 VanDerWaalsContact OH-O 3.07Å; R163-F183 HydrophobicContact CG-CD2 3.64Å; R163-F183 HydrophobicContact CG-CE2 3.89Å; R163-F183 HydrophobicContact CG-CG 4.2Å; L166-F183 HydrophobicContact CD1-CB 3.98Å; L166-F183 HydrophobicContact CD1-CD2 4.37Å; L179-F183 WeakPolarHBondContact O-CB 3.3Å; L179-F183 PolarHBondContact O-N 3.38Å; D180-F183 WeakPolarHBondContact O-CB 3.42Å; D180-F183 PolarHBondContact O-N 3.43Å; F183-K185 PolarHBondContact O-N 3.29Å; F183-L186 PolarHBondContact O-N 3.08Å; F183-Y187 PolarHBondContact O-N 3.49Å
184	D	98.2	Very high	97.3	Very high	35 Å²	35	49.2 Å²	49.2	19%	0.187	24%	0.235	C	C	.	.	H	α-helix	trans	-63.7	-44.3	179.6	-68.1	-0	0	0	0	111.6	K145 W147 D180 V181 L182 L186 Y187 E188	K145-D184 VanDerWaalsContact CE-OD1 3.25Å; K145-D184 WeakPolarHBondContact CE-OD1 3.21Å; K145-D184 IonicContact NZ-OD1 4Å; K145-D184 PolarHBondContact NZ-OD1 2.95Å; K145-D184 IonicContact NZ-OD2 2.79Å; K145-D184 PolarHBondContact NZ-OD2 3.44Å; W147-D184 HydrophobicContact CH2-CB 3.91Å; W147-D184 WeakPolarHBondContact CH2-OD1 3.26Å; W147-D184 HydrophobicContact CZ2-CB 3.95Å; D180-D184 PolarHBondContact O-N 2.98Å; V181-D184 PolarHBondContact O-N 3.43Å; L182-D184 VanDerWaalsContact C-N 3.35Å; D184-L186 PolarHBondContact O-N 3.11Å; D184-Y187 PolarHBondContact O-N 3.39Å; D184-E188 WeakPolarHBondContact O-CB 3.27Å; D184-E188 VanDerWaalsContact O-CG 3.3Å; D184-E188 WeakPolarHBondContact O-CG 3.43Å; D184-E188 PolarHBondContact O-N 2.78Å
185	K	97.8	Very high	97.6	Very high	36 Å²	36	44.2 Å²	44.2	16%	0.157	21%	0.211	C	C	.	.	H	α-helix	trans	-66.4	-38	-178.5	-74.7	-71.5	154.3	-158.3	0	113.4	V181 L182 F183 E188 N189 Y256 W260 E295	V181-K185 WeakPolarHBondContact O-CB 3.41Å; V181-K185 WeakPolarHBondContact O-CG 3.18Å; V181-K185 PolarHBondContact O-N 2.81Å; L182-K185 PolarHBondContact O-N 2.9Å; F183-K185 PolarHBondContact O-N 3.29Å; K185-E188 IonicContact NZ-OE2 3.19Å; K185-E188 PolarHBondContact NZ-OE2 3.47Å; K185-N189 WeakPolarHBondContact O-CB 3.25Å; K185-N189 PolarHBondContact O-N 3.31Å; K185-N189 VanDerWaalsContact O-N 3.1Å; K185-N189 PolarHBondContact O-ND2 3.37Å; K185-Y256 HydrophobicContact CB-CD1 4Å; K185-Y256 HydrophobicContact CB-CE1 3.99Å; K185-Y256 HydrophobicContact CB-CG 4.31Å; K185-Y256 HydrophobicContact CD-CE1 4.17Å; K185-Y256 HydrophobicContact CG-CD1 4.43Å; K185-Y256 HydrophobicContact CG-CE1 4.36Å; K185-W260 HydrophobicContact CD-CH2 3.72Å; K185-W260 HydrophobicContact CD-CZ2 3.7Å; K185-W260 HydrophobicContact CD-CZ3 4.27Å; K185-W260 VanDerWaalsContact CE-CH2 3.45Å; K185-W260 VanDerWaalsContact CE-CZ2 3.47Å; K185-W260 HydrophobicContact CG-CE3 4.43Å; K185-W260 HydrophobicContact CG-CH2 3.74Å; K185-W260 HydrophobicContact CG-CZ2 4.21Å; K185-W260 HydrophobicContact CG-CZ3 3.85Å; K185-E295 WeakPolarHBondContact CE-OE2 3.23Å; K185-E295 IonicContact NZ-OE2 2.84Å; K185-E295 PolarHBondContact NZ-OE2 2.89Å
186	L	98.6	Very high	97.9	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-74.5	-31.5	177.5	-76.2	165	0	0	0	111.9	Y158 L166 L182 F183 D184 F190 V191 F249 R252 L253 Y256	Y158-L186 WeakPolarHBondContact OH-CB 3.49Å; L166-L186 HydrophobicContact CD1-CD1 4.06Å; L166-L186 HydrophobicContact CD2-CD1 3.65Å; L182-L186 WeakPolarHBondContact O-CB 3.15Å; L182-L186 WeakPolarHBondContact O-CG 3.44Å; L182-L186 PolarHBondContact O-N 3.22Å; F183-L186 PolarHBondContact O-N 3.08Å; D184-L186 PolarHBondContact O-N 3.11Å; L186-F190 WeakPolarHBondContact O-CB 3.33Å; L186-F190 PolarHBondContact O-N 3.45Å; L186-V191 PolarHBondContact O-N 3.36Å; L186-V191 VanDerWaalsContact O-N 3.1Å; L186-F249 HydrophobicContact CB-CE2 4.5Å; L186-F249 HydrophobicContact CD1-CZ 4.2Å; L186-F249 HydrophobicContact CD2-CE2 4.23Å; L186-R252 HydrophobicContact CD2-CB 4.24Å; L186-L253 HydrophobicContact CD1-CB 4.21Å; L186-L253 HydrophobicContact CD1-CD1 3.63Å; L186-L253 HydrophobicContact CD1-CG 4.47Å; L186-L253 HydrophobicContact CD2-CB 4.49Å; L186-Y256 HydrophobicContact CD2-CD2 3.84Å; L186-Y256 HydrophobicContact CD2-CE2 4.32Å; L186-Y256 HydrophobicContact CG-CD2 4.19Å
187	Y	98.8	Very high	98	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.189	C	C	.	.	I	π-helix	trans	-63.4	-59.6	169.3	-174.1	-98.7	0	0	0	111	F138 W147 L151 Y158 F183 D184 N189 F190 V191 E192 D195	F138-Y187 HydrophobicContact CD2-CD1 4.34Å; F138-Y187 AromaticContact CD2-CD2 3.82Å; F138-Y187 HydrophobicContact CD2-CD2 3.82Å; F138-Y187 AromaticContact CD2-CE1 3.92Å; F138-Y187 HydrophobicContact CD2-CE1 3.92Å; F138-Y187 AromaticContact CD2-CE2 3.36Å; F138-Y187 HydrophobicContact CD2-CE2 3.36Å; F138-Y187 HydrophobicContact CD2-CG 4.29Å; F138-Y187 AromaticContact CD2-CZ 3.41Å; F138-Y187 VanDerWaalsContact CD2-CZ 3.41Å; F138-Y187 AromaticContact CE2-CD2 3.47Å; F138-Y187 HydrophobicContact CE2-CD2 3.47Å; F138-Y187 VanDerWaalsContact CE2-CD2 3.47Å; F138-Y187 HydrophobicContact CE2-CE1 4.5Å; F138-Y187 AromaticContact CE2-CE2 3.43Å; F138-Y187 HydrophobicContact CE2-CE2 3.43Å; F138-Y187 VanDerWaalsContact CE2-CE2 3.43Å; F138-Y187 HydrophobicContact CE2-CG 4.06Å; F138-Y187 AromaticContact CE2-CZ 3.98Å; F138-Y187 HydrophobicContact CG-CE1 4.48Å; F138-Y187 HydrophobicContact CZ-CD2 4.37Å; W147-Y187 HydrophobicContact CB-CD1 4.37Å; W147-Y187 HydrophobicContact CB-CE1 3.59Å; W147-Y187 AromaticContact CD2-CD1 3.27Å; W147-Y187 HydrophobicContact CD2-CD1 3.27Å; W147-Y187 AromaticContact CD2-CE1 3.44Å; W147-Y187 HydrophobicContact CD2-CE1 3.44Å; W147-Y187 VanDerWaalsContact CD2-CE1 3.44Å; W147-Y187 HydrophobicContact CD2-CG 4.39Å; W147-Y187 AromaticContact CE2-CD1 3.61Å; W147-Y187 AromaticContact CE3-CD1 3.3Å; W147-Y187 HydrophobicContact CE3-CD1 3.3Å; W147-Y187 AromaticContact CE3-CE1 3.52Å; W147-Y187 HydrophobicContact CE3-CE1 3.52Å; W147-Y187 HydrophobicContact CE3-CG 4.08Å; W147-Y187 AromaticContact CG-CD1 3.74Å; W147-Y187 HydrophobicContact CG-CD1 3.74Å; W147-Y187 AromaticContact CG-CE1 3.45Å; W147-Y187 HydrophobicContact CG-CE1 3.45Å; W147-Y187 VanDerWaalsContact CG-CE1 3.45Å; W147-Y187 HydrophobicContact CH2-CD1 4.02Å; W147-Y187 HydrophobicContact CH2-CG 4.37Å; W147-Y187 AromaticContact CZ2-CD1 4Å; W147-Y187 HydrophobicContact CZ2-CD1 4Å; W147-Y187 AromaticContact CZ3-CD1 3.68Å; W147-Y187 HydrophobicContact CZ3-CD1 3.68Å; W147-Y187 HydrophobicContact CZ3-CE1 4.32Å; W147-Y187 HydrophobicContact CZ3-CG 4.06Å; L151-Y187 HydrophobicContact CD2-CE2 4.25Å; L151-Y187 WeakPolarHBondContact CD2-OH 3.49Å; Y158-Y187 AromaticContact CD1-CD2 3.99Å; Y158-Y187 HydrophobicContact CD1-CD2 3.99Å; Y158-Y187 HydrophobicContact CE1-CD2 4.37Å; F183-Y187 PolarHBondContact O-N 3.49Å; D184-Y187 PolarHBondContact O-N 3.39Å; Y187-N189 VanDerWaalsContact C-N 3.26Å; Y187-N189 PolarHBondContact O-N 3Å; Y187-N189 VanDerWaalsContact O-N 3.16Å; Y187-F190 PolarHBondContact O-N 2.57Å; Y187-V191 HydrophobicContact CD2-CB 3.85Å; Y187-V191 HydrophobicContact CD2-CG1 4.07Å; Y187-V191 HydrophobicContact CE2-CB 4.31Å; Y187-V191 HydrophobicContact CE2-CG1 4.17Å; Y187-V191 PolarHBondContact O-N 2.96Å; Y187-E192 HydrophobicContact CD1-CB 4.19Å; Y187-E192 HydrophobicContact CE1-CB 3.77Å; Y187-E192 HydrophobicContact CE1-CG 3.98Å; Y187-E192 HydrophobicContact CE2-CB 4.44Å; Y187-E192 WeakPolarHBondContact O-CB 3.45Å; Y187-E192 PolarHBondContact O-N 3.03Å; Y187-D195 VanDerWaalsContact CE2-OD2 3.22Å; Y187-D195 WeakPolarHBondContact CE2-OD2 3.34Å; Y187-D195 PolarHBondContact OH-OD2 3.34Å
188	E	97.2	Very high	98.1	Very high	71 Å²	71	31.8 Å²	31.8	33%	0.332	17%	0.165	S	C	.	.	I	π-helix	trans	-54.2	-37.5	-176.5	-75.9	174.7	173.3	0	0	114	W147 D184 K185	W147-E188 HydrophobicContact CZ2-CG 3.77Å; W147-E188 VanDerWaalsContact NE1-CG 3.26Å; D184-E188 WeakPolarHBondContact O-CB 3.27Å; D184-E188 VanDerWaalsContact O-CG 3.3Å; D184-E188 WeakPolarHBondContact O-CG 3.43Å; D184-E188 PolarHBondContact O-N 2.78Å; K185-E188 IonicContact NZ-OE2 3.19Å; K185-E188 PolarHBondContact NZ-OE2 3.47Å
189	N	97.1	Very high	98.2	Very high	62 Å²	62	29.1 Å²	29.1	33%	0.332	15%	0.154	S	C	.	.	I	π-helix	trans	-115.9	11.5	-167.7	-57.9	-85.2	0	0	0	113.5	K185 Y187 Y256	K185-N189 WeakPolarHBondContact O-CB 3.25Å; K185-N189 PolarHBondContact O-N 3.31Å; K185-N189 VanDerWaalsContact O-N 3.1Å; K185-N189 PolarHBondContact O-ND2 3.37Å; Y187-N189 VanDerWaalsContact C-N 3.26Å; Y187-N189 PolarHBondContact O-N 3Å; Y187-N189 VanDerWaalsContact O-N 3.16Å; N189-Y256 HydrophobicContact CB-CE2 4.26Å; N189-Y256 WeakPolarHBondContact CB-OH 3.37Å; N189-Y256 PolarHBondContact ND2-OH 3.33Å
190	F	98.6	Very high	98.1	Very high	15 Å²	15	32.1 Å²	32.1	7%	0.066	19%	0.185	C	C	.	.	I	π-helix	trans	-151.3	-59.4	177.2	-163.7	-81.2	0	0	0	112.8	L82 L186 Y187 L216 E248 F249 R252	L82-F190 HydrophobicContact CD1-CE1 4.04Å; L82-F190 HydrophobicContact CD2-CD1 4.32Å; L82-F190 HydrophobicContact CD2-CE1 4.05Å; L186-F190 WeakPolarHBondContact O-CB 3.33Å; L186-F190 PolarHBondContact O-N 3.45Å; Y187-F190 PolarHBondContact O-N 2.57Å; F190-L216 HydrophobicContact CE1-CD2 3.9Å; F190-L216 HydrophobicContact CE2-CD2 4.2Å; F190-L216 HydrophobicContact CZ-CD2 3.48Å; F190-L216 VanDerWaalsContact CZ-CD2 3.48Å; F190-E248 HydrophobicContact CE2-CB 4.28Å; F190-E248 HydrophobicContact CE2-CG 3.78Å; F190-E248 HydrophobicContact CZ-CB 4.29Å; F190-E248 HydrophobicContact CZ-CG 4.2Å; F190-F249 AromaticContact CD1-CD2 3.82Å; F190-F249 HydrophobicContact CD1-CD2 3.82Å; F190-F249 HydrophobicContact CE1-CB 4.04Å; F190-F249 AromaticContact CE1-CD2 3.83Å; F190-F249 HydrophobicContact CE1-CD2 3.83Å; F190-F249 HydrophobicContact CE1-CG 4.45Å; F190-F249 HydrophobicContact CE2-CB 4.46Å; F190-F249 HydrophobicContact CG-CD2 4.33Å; F190-F249 HydrophobicContact CZ-CB 3.83Å; F190-F249 HydrophobicContact CZ-CD2 4.32Å; F190-R252 HydrophobicContact CD2-CB 4.11Å; F190-R252 HydrophobicContact CD2-CG 3.73Å; F190-R252 HydrophobicContact CE2-CB 4.41Å; F190-R252 HydrophobicContact CE2-CG 3.83Å
191	V	98.8	Very high	98.1	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.189	C	C	.	.	I	π-helix	trans	-74.3	-39.1	-171.6	-173.5	0	0	0	0	111.6	F86 Y158 L186 Y187 E193 V194 D195	F86-V191 HydrophobicContact CE2-CG2 4.21Å; F86-V191 HydrophobicContact CZ-CG2 3.92Å; Y158-V191 HydrophobicContact CD1-CG2 4.38Å; Y158-V191 HydrophobicContact CD2-CG2 3.94Å; Y158-V191 HydrophobicContact CE2-CG2 4.14Å; Y158-V191 HydrophobicContact CG-CG1 4.29Å; Y158-V191 HydrophobicContact CG-CG2 4.05Å; L186-V191 PolarHBondContact O-N 3.36Å; L186-V191 VanDerWaalsContact O-N 3.1Å; Y187-V191 HydrophobicContact CD2-CB 3.85Å; Y187-V191 HydrophobicContact CD2-CG1 4.07Å; Y187-V191 HydrophobicContact CE2-CB 4.31Å; Y187-V191 HydrophobicContact CE2-CG1 4.17Å; Y187-V191 PolarHBondContact O-N 2.96Å; V191-E193 PolarHBondContact O-N 3.41Å; V191-V194 WeakPolarHBondContact O-CA 3.22Å; V191-V194 WeakPolarHBondContact O-CB 3.12Å; V191-V194 PolarHBondContact O-N 2.94Å; V191-D195 PolarHBondContact O-N 2.86Å
192	E	98.7	Very high	98	Very high	40 Å²	40	35.6 Å²	35.6	19%	0.187	21%	0.209	C	C	.	.	H	α-helix	trans	-62.1	-30.9	-179.7	-171.5	171.7	-159.8	0	0	112.5	T149 Y187 V194 D195 A196	T149-E192 WeakPolarHBondContact CB-OE1 3.34Å; T149-E192 HydrophobicContact CG2-CG 4.09Å; T149-E192 PolarHBondContact OG1-OE1 3.26Å; Y187-E192 HydrophobicContact CD1-CB 4.19Å; Y187-E192 HydrophobicContact CE1-CB 3.77Å; Y187-E192 HydrophobicContact CE1-CG 3.98Å; Y187-E192 HydrophobicContact CE2-CB 4.44Å; Y187-E192 WeakPolarHBondContact O-CB 3.45Å; Y187-E192 PolarHBondContact O-N 3.03Å; E192-V194 VanDerWaalsContact C-N 3.32Å; E192-V194 PolarHBondContact O-N 2.94Å; E192-D195 PolarHBondContact O-N 2.66Å; E192-A196 VanDerWaalsContact O-CB 3.3Å; E192-A196 WeakPolarHBondContact O-CB 3.26Å; E192-A196 PolarHBondContact O-N 3.01Å
193	E	98.3	Very high	97.7	Very high	87 Å²	87	44.3 Å²	44.3	41%	0.407	25%	0.249	S	C	.	.	H	α-helix	trans	-62	-41.5	172.1	-177.4	-174.2	144.4	0	0	111.1	V191 V197 T215	V191-E193 PolarHBondContact O-N 3.41Å; E193-V197 HydrophobicContact CG-CG2 4.36Å; E193-V197 WeakPolarHBondContact O-CB 3.45Å; E193-V197 VanDerWaalsContact O-CG2 3.23Å; E193-V197 WeakPolarHBondContact O-CG2 3.21Å; E193-V197 PolarHBondContact O-N 3.49Å; E193-T215 WeakPolarHBondContact OE1-CB 3.19Å
194	V	98.8	Very high	97.4	Very high	2 Å²	2	49.2 Å²	49.2	1%	0.012	27%	0.271	C	S	.	.	H	α-helix	trans	-67.2	-46.1	178.6	179.8	0	0	0	0	110.2	C78 D79 L82 A154 V191 E192 A196 V197 D198	C78-V194 HydrophobicContact CB-CG1 4.17Å; D79-V194 HydrophobicContact CB-CG1 4.37Å; L82-V194 HydrophobicContact CD2-CB 4.3Å; L82-V194 HydrophobicContact CD2-CG1 4.38Å; L82-V194 HydrophobicContact CD2-CG2 3.92Å; A154-V194 HydrophobicContact CB-CG1 4.23Å; V191-V194 WeakPolarHBondContact O-CA 3.22Å; V191-V194 WeakPolarHBondContact O-CB 3.12Å; V191-V194 PolarHBondContact O-N 2.94Å; E192-V194 VanDerWaalsContact C-N 3.32Å; E192-V194 PolarHBondContact O-N 2.94Å; V194-A196 VanDerWaalsContact C-N 3.35Å; V194-A196 PolarHBondContact O-N 3.19Å; V194-V197 PolarHBondContact O-N 3.28Å; V194-D198 VanDerWaalsContact O-CB 3.27Å; V194-D198 WeakPolarHBondContact O-CB 3.45Å; V194-D198 PolarHBondContact O-N 3.26Å
195	D	98.8	Very high	97.1	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-54.5	-49.9	174.6	-76.9	-27.9	0	0	0	111.6	T149 L151 S152 G155 Y187 V191 E192 N199	T149-D195 HydrophobicContact CG2-CB 4.12Å; L151-D195 VanDerWaalsContact CD2-OD2 3.27Å; L151-D195 WeakPolarHBondContact CD2-OD2 3.26Å; S152-D195 PolarHBondContact N-OD1 3.45Å; S152-D195 PolarHBondContact OG-OD1 3.31Å; G155-D195 WeakPolarHBondContact CA-OD1 3.35Å; G155-D195 PolarHBondContact N-OD1 2.93Å; G155-D195 VanDerWaalsContact N-OD1 3.1Å; Y187-D195 VanDerWaalsContact CE2-OD2 3.22Å; Y187-D195 WeakPolarHBondContact CE2-OD2 3.34Å; Y187-D195 PolarHBondContact OH-OD2 3.34Å; V191-D195 PolarHBondContact O-N 2.86Å; E192-D195 PolarHBondContact O-N 2.66Å; D195-N199 WeakPolarHBondContact O-CB 3.27Å; D195-N199 PolarHBondContact O-N 3.47Å; D195-N199 VanDerWaalsContact O-N 3.11Å; D195-N199 PolarHBondContact O-ND2 3.21Å
196	A	98.5	Very high	96.8	Very high	19 Å²	19	57.1 Å²	57.1	16%	0.157	33%	0.331	C	S	.	.	H	α-helix	trans	-64.7	-49.2	-177.4	0	0	0	0	0	111.9	T149 E192 V194 D198 N199 G200 I201	T149-A196 HydrophobicContact CG2-CB 3.91Å; E192-A196 VanDerWaalsContact O-CB 3.3Å; E192-A196 WeakPolarHBondContact O-CB 3.26Å; E192-A196 PolarHBondContact O-N 3.01Å; V194-A196 VanDerWaalsContact C-N 3.35Å; V194-A196 PolarHBondContact O-N 3.19Å; A196-D198 VanDerWaalsContact C-N 3.33Å; A196-D198 PolarHBondContact O-N 3.06Å; A196-N199 PolarHBondContact O-N 3.04Å; A196-G200 PolarHBondContact O-N 3.05Å; A196-G200 VanDerWaalsContact O-N 3.14Å; A196-I201 HydrophobicContact CB-CB 4.11Å; A196-I201 HydrophobicContact CB-CG2 4.49Å; A196-I201 WeakPolarHBondContact O-CB 3.4Å; A196-I201 PolarHBondContact O-N 2.86Å
197	V	98.2	Very high	96.5	Very high	71 Å²	71	66.3 Å²	66.3	43%	0.43	37%	0.374	S	S	.	.	H	α-helix	trans	-61.9	-43.3	-178	168.6	0	0	0	0	111.1	E193 V194 G200	E193-V197 HydrophobicContact CG-CG2 4.36Å; E193-V197 WeakPolarHBondContact O-CB 3.45Å; E193-V197 VanDerWaalsContact O-CG2 3.23Å; E193-V197 WeakPolarHBondContact O-CG2 3.21Å; E193-V197 PolarHBondContact O-N 3.49Å; V194-V197 PolarHBondContact O-N 3.28Å; V197-G200 PolarHBondContact O-N 2.85Å; V197-G200 VanDerWaalsContact O-N 3.14Å
198	D	98.4	Very high	96.2	Very high	43 Å²	43	69 Å²	69	23%	0.23	40%	0.396	C	S	.	.	H	α-helix	trans	-69.3	-36.1	-177.4	-166	76	0	0	0	112.3	D79 H129 V194 A196 G200	D79-D198 HydrophobicContact CB-CB 4.19Å; H129-D198 IonicContact CE1-OD2 3.82Å; H129-D198 PolarHBondContact CE1-OD2 3.35Å; H129-D198 IonicContact NE2-OD2 3.87Å; H129-D198 PolarHBondContact NE2-OD2 3.5Å; H129-D198 VanDerWaalsContact NE2-OD2 3.1Å; V194-D198 VanDerWaalsContact O-CB 3.27Å; V194-D198 WeakPolarHBondContact O-CB 3.45Å; V194-D198 PolarHBondContact O-N 3.26Å; A196-D198 VanDerWaalsContact C-N 3.33Å; A196-D198 PolarHBondContact O-N 3.06Å; D198-G200 PolarHBondContact O-N 2.87Å
199	N	98.3	Very high	96	Very high	34 Å²	34	77.5 Å²	77.5	18%	0.182	43%	0.426	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	4.2	172.8	-72.8	-81	0	0	0	114.2	H129 K150 L151 S152 D195 A196 I201	H129-N199 PolarHBondContact ND1-OD1 2.81Å; K150-N199 HydrophobicContact CB-CB 4.42Å; K150-N199 HydrophobicContact CD-CB 4.43Å; K150-N199 WeakPolarHBondContact CD-OD1 3.34Å; K150-N199 WeakPolarHBondContact CE-OD1 3.39Å; K150-N199 PolarHBondContact NZ-OD1 2.89Å; K150-N199 PolarHBondContact O-ND2 3.49Å; L151-N199 VanDerWaalsContact C-ND2 3.33Å; L151-N199 PolarHBondContact O-ND2 3.17Å; S152-N199 PolarHBondContact N-ND2 3.42Å; D195-N199 WeakPolarHBondContact O-CB 3.27Å; D195-N199 PolarHBondContact O-N 3.47Å; D195-N199 VanDerWaalsContact O-N 3.11Å; D195-N199 PolarHBondContact O-ND2 3.21Å; A196-N199 PolarHBondContact O-N 3.04Å; N199-I201 VanDerWaalsContact C-N 3.31Å; N199-I201 HydrophobicContact CB-CD1 3.99Å; N199-I201 HydrophobicContact CB-CG1 4.07Å; N199-I201 PolarHBondContact O-N 3.02Å
200	G	96.5	Very high	95.9	Very high	64 Å²	64	83.1 Å²	83.1	66%	0.66	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.5	26.5	179.3	0	0	0	0	0	114.2	A196 V197 D198	A196-G200 PolarHBondContact O-N 3.05Å; A196-G200 VanDerWaalsContact O-N 3.14Å; V197-G200 PolarHBondContact O-N 2.85Å; V197-G200 VanDerWaalsContact O-N 3.14Å; D198-G200 PolarHBondContact O-N 2.87Å
201	I	96.8	Very high	95.6	Very high	73 Å²	73	87 Å²	87	37%	0.374	48%	0.478	S	S	.	.			trans	-86	126.4	179.4	-58.4	172.4	0	0	0	109	T149 K150 A196 N199	T149-I201 HydrophobicContact CG2-CD1 4Å; K150-I201 HydrophobicContact CB-CD1 4.08Å; A196-I201 HydrophobicContact CB-CB 4.11Å; A196-I201 HydrophobicContact CB-CG2 4.49Å; A196-I201 WeakPolarHBondContact O-CB 3.4Å; A196-I201 PolarHBondContact O-N 2.86Å; N199-I201 VanDerWaalsContact C-N 3.31Å; N199-I201 HydrophobicContact CB-CD1 3.99Å; N199-I201 HydrophobicContact CB-CG1 4.07Å; N199-I201 PolarHBondContact O-N 3.02Å
202	S	94.6	Very high	95.4	Very high	96 Å²	96	91.4 Å²	91.4	67%	0.671	51%	0.505	S	S	*	.			trans	-77.7	143.5	176.9	-64.3	0	0	0	0	111	F204	S202-F204 PolarHBondContact O-N 3.1Å
203	Q	92.3	Very high	95.2	Very high	182 Å²	182	93.7 Å²	93.7	85%	0.85	53%	0.525	S	S	*	.	S	Bend	trans	-63.2	-28.1	179.6	-173.6	177.8	43.4	0	0	113.2
204	F	91.9	Very high	95.1	Very high	104 Å²	104	93.7 Å²	93.7	46%	0.456	54%	0.535	S	S	.	.	S	Bend	trans	-152.1	157.7	177.1	50.1	-94.7	0	0	0	109.9	S202 A208	S202-F204 PolarHBondContact O-N 3.1Å; F204-A208 HydrophobicContact CE2-CB 3.94Å; F204-A208 HydrophobicContact CZ-CB 3.57Å
205	D	91.8	Very high	95	Very high	166 Å²	166	95.8 Å²	95.8	89%	0.888	55%	0.548	S	S	*	.	S	Bend	trans	-72.4	144.1	172.7	-61.4	-47.5	0	0	0	111.4
206	G	92.5	Very high	95	Very high	70 Å²	70	96.7 Å²	96.7	72%	0.722	55%	0.553	S	S	*	*	S	Bend	trans	92.2	-167.3	174.8	0	0	0	0	0	115.2
207	E	91.4	Very high	95	Very high	194 Å²	194	96.5 Å²	96.5	91%	0.907	55%	0.55	S	S	*	*			trans	-90.6	127.6	-175.7	-67.5	-173.1	171	0	0	112.4
208	A	92.3	Very high	95	Very high	56 Å²	56	94.1 Å²	94.1	46%	0.463	54%	0.537	S	S	.	.			trans	-65.3	137.7	174.5	0	0	0	0	0	111.5	F204 Y210	F204-A208 HydrophobicContact CE2-CB 3.94Å; F204-A208 HydrophobicContact CZ-CB 3.57Å; A208-Y210 PolarHBondContact O-N 2.94Å
209	R	93.9	Very high	95	Very high	250 Å²	250	96.3 Å²	96.3	94%	0.943	54%	0.543	S	S	*	.	S	Bend	trans	-66.7	-25	175.4	-67.2	-172.9	-176.6	-160.1	1.4	113.5
210	Y	94.9	Very high	95	Very high	179 Å²	179	94.7 Å²	94.7	70%	0.702	53%	0.534	S	S	*	.	S	Bend	trans	-153.9	156.9	176.5	59.1	-91.3	0	0	0	109.9	A208 V212	A208-Y210 PolarHBondContact O-N 2.94Å; Y210-V212 HydrophobicContact CD2-CG2 4.22Å; Y210-V212 HydrophobicContact CE2-CG2 3.83Å
211	A	92.9	Very high	95.1	Very high	96 Å²	96	94.2 Å²	94.2	79%	0.793	52%	0.524	S	S	*	.			trans	-87	139.6	177.9	0	0	0	0	0	111.8
212	V	93.9	Very high	95.1	Very high	93 Å²	93	97.3 Å²	97.3	56%	0.564	54%	0.536	S	S	*	.			trans	-108.3	117.1	168.2	179.4	0	0	0	0	108	Y210 T215	Y210-V212 HydrophobicContact CD2-CG2 4.22Å; Y210-V212 HydrophobicContact CE2-CG2 3.83Å; V212-T215 HydrophobicContact CG1-CG2 3.91Å
213	S	93.8	Very high	95.3	Very high	88 Å²	88	94.9 Å²	94.9	62%	0.615	52%	0.515	S	S	*	.			trans	-118.8	17.6	-175.2	68	0	0	0	0	113.4
214	S	96.3	Very high	95.6	Very high	87 Å²	87	87.2 Å²	87.2	61%	0.608	48%	0.48	S	S	*	.			trans	-124.7	16	-172.3	61.5	0	0	0	0	113.7
215	T	97.1	Very high	95.8	Very high	47 Å²	47	83.9 Å²	83.9	29%	0.288	47%	0.469	S	S	.	.	S	Bend	trans	-62.8	166.6	175.7	64.2	0	0	0	0	111.7	E193 V212 S217 A218 R219	E193-T215 WeakPolarHBondContact OE1-CB 3.19Å; V212-T215 HydrophobicContact CG1-CG2 3.91Å; T215-S217 VanDerWaalsContact C-N 3.33Å; T215-S217 PolarHBondContact O-N 2.95Å; T215-A218 PolarHBondContact O-N 3.45Å; T215-A218 WeakPolarHBondContact OG1-CB 3.23Å; T215-A218 PolarHBondContact OG1-N 3.18Å; T215-R219 WeakPolarHBondContact O-CG 3.48Å; T215-R219 PolarHBondContact O-N 2.9Å
216	L	98.4	Very high	96.1	Very high	19 Å²	19	84.8 Å²	84.8	10%	0.099	46%	0.46	C	S	.	.	H	α-helix	trans	-58.5	-47.4	178	-175.9	60.8	0	0	0	110.8	F190 A218 R219 V220 V245 E248	F190-L216 HydrophobicContact CE1-CD2 3.9Å; F190-L216 HydrophobicContact CE2-CD2 4.2Å; F190-L216 HydrophobicContact CZ-CD2 3.48Å; F190-L216 VanDerWaalsContact CZ-CD2 3.48Å; L216-A218 VanDerWaalsContact C-N 3.33Å; L216-A218 PolarHBondContact O-N 3.45Å; L216-R219 WeakPolarHBondContact O-CB 3.38Å; L216-R219 PolarHBondContact O-N 3.43Å; L216-R219 VanDerWaalsContact O-N 3.12Å; L216-V220 WeakPolarHBondContact O-CG2 3.22Å; L216-V220 PolarHBondContact O-N 3.16Å; L216-V245 HydrophobicContact CD1-CG2 4.05Å; L216-V245 HydrophobicContact CD2-CG1 4.41Å; L216-V245 HydrophobicContact CD2-CG2 4.41Å; L216-V245 HydrophobicContact CG-CG2 4.29Å; L216-E248 HydrophobicContact CD1-CB 4.38Å; L216-E248 HydrophobicContact CD1-CG 4.36Å
217	S	98.4	Very high	96.2	Very high	15 Å²	15	92.2 Å²	92.2	11%	0.105	47%	0.467	C	S	.	.	H	α-helix	trans	-61.2	-38.1	176.6	-56.5	0	0	0	0	113.2	C78 T215 V220 A221	C78-S217 WeakPolarHBondContact CB-OG 3.09Å; T215-S217 VanDerWaalsContact C-N 3.33Å; T215-S217 PolarHBondContact O-N 2.95Å; S217-V220 PolarHBondContact O-N 3.31Å; S217-A221 WeakPolarHBondContact O-CB 3.45Å; S217-A221 PolarHBondContact O-N 3Å
218	A	98.2	Very high	96.5	Very high	20 Å²	20	88 Å²	88	17%	0.165	45%	0.45	C	S	.	.	H	α-helix	trans	-65.2	-41.8	173.9	0	0	0	0	0	112	T215 L216 V220 A221 H222	T215-A218 PolarHBondContact O-N 3.45Å; T215-A218 WeakPolarHBondContact OG1-CB 3.23Å; T215-A218 PolarHBondContact OG1-N 3.18Å; L216-A218 VanDerWaalsContact C-N 3.33Å; L216-A218 PolarHBondContact O-N 3.45Å; A218-V220 PolarHBondContact O-N 3.1Å; A218-A221 PolarHBondContact O-N 3.38Å; A218-H222 PolarHBondContact O-N 2.93Å; A218-H222 PolarHBondContact O-ND1 3.19Å
219	R	98.5	Very high	96.7	Very high	90 Å²	90	87.6 Å²	87.6	34%	0.34	44%	0.444	S	S	.	.	H	α-helix	trans	-63.6	-39.4	176.4	-71	169.1	61.6	-165.1	-3.7	111.9	T215 L216 H222 M244 E248	T215-R219 WeakPolarHBondContact O-CG 3.48Å; T215-R219 PolarHBondContact O-N 2.9Å; L216-R219 WeakPolarHBondContact O-CB 3.38Å; L216-R219 PolarHBondContact O-N 3.43Å; L216-R219 VanDerWaalsContact O-N 3.12Å; R219-H222 PolarHBondContact O-N 2.83Å; R219-M244 HydrophobicContact CB-SD 3.95Å; R219-M244 PolarHBondContact NH2-SD 3.13Å; R219-E248 IonicContact CZ-OE2 2.61Å; R219-E248 IonicContact NH1-OE2 2.87Å; R219-E248 PolarHBondContact NH1-OE2 2.68Å; R219-E248 IonicContact NH2-OE2 3.17Å
220	V	98.7	Very high	96.8	Very high	0 Å²	0	86.6 Å²	86.6	0%	0	45%	0.446	C	S	.	.	H	α-helix	trans	-63.6	-47.6	172.8	172.7	0	0	0	0	110.7	F76 H77 C78 V81 L216 S217 A218 H222 L223 A241 V245	F76-V220 HydrophobicContact CD2-CG1 3.7Å; F76-V220 HydrophobicContact CE2-CG1 3.8Å; F76-V220 WeakPolarHBondContact CE2-O 2.86Å; H77-V220 WeakPolarHBondContact O-CG1 3.49Å; C78-V220 HydrophobicContact CB-CB 4.34Å; C78-V220 HydrophobicContact CB-CG2 4.18Å; V81-V220 HydrophobicContact CG2-CG1 4.42Å; L216-V220 WeakPolarHBondContact O-CG2 3.22Å; L216-V220 PolarHBondContact O-N 3.16Å; S217-V220 PolarHBondContact O-N 3.31Å; A218-V220 PolarHBondContact O-N 3.1Å; V220-H222 PolarHBondContact O-N 3.3Å; V220-L223 WeakPolarHBondContact O-CB 3.21Å; V220-L223 PolarHBondContact O-N 3.3Å; V220-A241 HydrophobicContact CG1-CB 4.11Å; V220-A241 HydrophobicContact CG2-CB 4.4Å; V220-V245 HydrophobicContact CG2-CG2 3.45Å; V220-V245 VanDerWaalsContact CG2-CG2 3.45Å
221	A	98.1	Very high	96.8	Very high	54 Å²	54	81.5 Å²	81.5	45%	0.446	44%	0.437	S	S	.	.	H	α-helix	trans	-56.1	-39	177	0	0	0	0	0	112.2	S217 A218 L223 N224	S217-A221 WeakPolarHBondContact O-CB 3.45Å; S217-A221 PolarHBondContact O-N 3Å; A218-A221 PolarHBondContact O-N 3.38Å; A221-L223 PolarHBondContact O-N 3.47Å; A221-N224 WeakPolarHBondContact O-CB 3.3Å; A221-N224 PolarHBondContact O-N 3.2Å; A221-N224 VanDerWaalsContact O-N 3.1Å; A221-N224 PolarHBondContact O-ND2 3.32Å
222	H	97.6	Very high	96.9	Very high	137 Å²	137	81.9 Å²	81.9	63%	0.634	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-13.5	176.8	-63.5	152	0	0	0	115	A218 R219 V220	A218-H222 PolarHBondContact O-N 2.93Å; A218-H222 PolarHBondContact O-ND1 3.19Å; R219-H222 PolarHBondContact O-N 2.83Å; V220-H222 PolarHBondContact O-N 3.3Å
223	L	98.2	Very high	97	Very high	45 Å²	45	82.4 Å²	82.4	24%	0.236	42%	0.422	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-11.1	175	-64.2	172.3	0	0	0	113.1	F76 V220 A221 K240 A241 M244	F76-L223 HydrophobicContact CE2-CB 4.05Å; F76-L223 HydrophobicContact CZ-CB 3.8Å; V220-L223 WeakPolarHBondContact O-CB 3.21Å; V220-L223 PolarHBondContact O-N 3.3Å; A221-L223 PolarHBondContact O-N 3.47Å; L223-K240 HydrophobicContact CD1-CB 4.09Å; L223-K240 HydrophobicContact CD2-CB 4.29Å; L223-A241 HydrophobicContact CD1-CB 3.73Å; L223-M244 HydrophobicContact CD1-CE 3.96Å
224	N	98.4	Very high	97.2	Very high	21 Å²	21	79.1 Å²	79.1	11%	0.112	40%	0.398	C	S	.	.	S	Bend	trans	-67.6	151.9	170.6	-78.3	-80.2	0	0	0	111	T75 F76 A221 R226	T75-N224 WeakPolarHBondContact CA-OD1 3.13Å; T75-N224 HydrophobicContact CG2-CB 4.42Å; F76-N224 WeakPolarHBondContact CD1-OD1 3.18Å; F76-N224 VanDerWaalsContact CE1-OD1 3.27Å; F76-N224 WeakPolarHBondContact CE1-OD1 3.37Å; F76-N224 PolarHBondContact N-OD1 3.19Å; F76-N224 PolarHBondContact O-ND2 2.92Å; A221-N224 WeakPolarHBondContact O-CB 3.3Å; A221-N224 PolarHBondContact O-N 3.2Å; A221-N224 VanDerWaalsContact O-N 3.1Å; A221-N224 PolarHBondContact O-ND2 3.32Å; N224-R226 PolarHBondContact O-N 2.91Å
225	P	97.5	Very high	97.2	Very high	34 Å²	34	78 Å²	78	22%	0.221	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-58.8	140.1	171.3	26.2	-33.9	0	0	0	110.2	T234	P225-T234 HydrophobicContact CG-CG2 3.99Å
226	R	96.3	Very high	97.2	Very high	186 Å²	186	80.9 Å²	80.9	70%	0.702	40%	0.397	S	S	*	.	P	Polyproline II helix	trans	-65.9	149.5	172.4	-59.8	179.7	-179	-177.9	-0.8	109.6	N224 N228 S229 Q232	N224-R226 PolarHBondContact O-N 2.91Å; R226-N228 WeakPolarHBondContact CB-OD1 3.43Å; R226-N228 PolarHBondContact O-N 3.1Å; R226-S229 PolarHBondContact N-OG 3.11Å; R226-S229 VanDerWaalsContact O-CB 3.26Å; R226-S229 WeakPolarHBondContact O-CB 3.45Å; R226-S229 PolarHBondContact O-N 3.04Å; R226-S229 PolarHBondContact O-OG 3.42Å; R226-Q232 PolarHBondContact O-NE2 2.91Å
227	W	95.9	Very high	97.2	Very high	226 Å²	226	80.4 Å²	80.4	86%	0.856	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-28.3	177.9	72.7	-95.2	0	0	0	113.4
228	N	97	Very high	97.2	Very high	104 Å²	104	79.9 Å²	79.9	56%	0.556	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.4	10.9	179.4	68.5	-21.6	0	0	0	114.1	R226	R226-N228 WeakPolarHBondContact CB-OD1 3.43Å; R226-N228 PolarHBondContact O-N 3.1Å
229	S	95.9	Very high	97.2	Very high	48 Å²	48	84.5 Å²	84.5	34%	0.336	41%	0.409	S	S	.	.			trans	-71.2	140.3	172.3	-71.8	0	0	0	0	110.8	R226 S231 Q232	R226-S229 PolarHBondContact N-OG 3.11Å; R226-S229 VanDerWaalsContact O-CB 3.26Å; R226-S229 WeakPolarHBondContact O-CB 3.45Å; R226-S229 PolarHBondContact O-N 3.04Å; R226-S229 PolarHBondContact O-OG 3.42Å; S229-S231 WeakPolarHBondContact CB-O 3.47Å; S229-S231 PolarHBondContact O-N 3.44Å; S229-Q232 PolarHBondContact O-NE2 3.48Å
230	K	96.2	Very high	97.2	Very high	229 Å²	229	86.3 Å²	86.3	100%	0.996	42%	0.419	S	S	*	.	S	Bend	trans	-61.3	-32.3	175.2	-66	-176.5	179.4	-179.1	0	113
231	S	95.5	Very high	97.2	Very high	72 Å²	72	86.3 Å²	86.3	50%	0.503	42%	0.419	S	S	.	.			trans	-110	135.4	172.7	-177.5	0	0	0	0	109	S229 D233	S229-S231 WeakPolarHBondContact CB-O 3.47Å; S229-S231 PolarHBondContact O-N 3.44Å; S231-D233 WeakPolarHBondContact OG-CB 3.38Å; S231-D233 PolarHBondContact OG-N 2.96Å
232	Q	95.9	Very high	97.2	Very high	105 Å²	105	84.8 Å²	84.8	49%	0.491	40%	0.404	S	S	.	.			trans	-104.1	17.4	171.4	-63.4	-61.2	-53.6	0	0	111.3	R226 S229 T234	R226-Q232 PolarHBondContact O-NE2 2.91Å; S229-Q232 PolarHBondContact O-NE2 3.48Å; Q232-T234 PolarHBondContact O-N 3.02Å
233	D	95.8	Very high	97.3	Very high	104 Å²	104	84.2 Å²	84.2	56%	0.556	40%	0.4	S	S	*	.			trans	-62.2	130.7	172.1	-177.1	14.6	0	0	0	110.3	S231 E235	S231-D233 WeakPolarHBondContact OG-CB 3.38Å; S231-D233 PolarHBondContact OG-N 2.96Å; D233-E235 WeakPolarHBondContact OD1-CB 3.4Å; D233-E235 PolarHBondContact OD1-N 3.26Å
234	T	96.9	Very high	97.3	Very high	19 Å²	19	84.3 Å²	84.3	12%	0.117	40%	0.399	C	S	.	.			trans	-106.1	-6.8	-176.7	65.3	0	0	0	0	112.5	F76 R100 P225 Q232 G237 F238	F76-T234 HydrophobicContact CD1-CG2 4.49Å; F76-T234 WeakPolarHBondContact CE1-O 3.43Å; R100-T234 PolarHBondContact NH1-OG1 3.39Å; R100-T234 PolarHBondContact NH2-OG1 3.35Å; P225-T234 HydrophobicContact CG-CG2 3.99Å; Q232-T234 PolarHBondContact O-N 3.02Å; T234-G237 PolarHBondContact O-N 2.84Å; T234-F238 WeakPolarHBondContact O-CB 3.49Å; T234-F238 PolarHBondContact O-N 3.21Å
235	E	96.5	Very high	97.3	Very high	64 Å²	64	83.3 Å²	83.3	30%	0.299	39%	0.394	S	S	.	.	H	α-helix	trans	-66.6	-46.3	-165.4	-175	55.7	-159.7	0	0	113.4	R100 D233 G237 F238 K239	R100-E235 IonicContact NH1-OE2 3.18Å; R100-E235 PolarHBondContact NH1-OE2 3.18Å; D233-E235 WeakPolarHBondContact OD1-CB 3.4Å; D233-E235 PolarHBondContact OD1-N 3.26Å; E235-G237 VanDerWaalsContact C-N 3.29Å; E235-G237 PolarHBondContact O-N 2.92Å; E235-F238 PolarHBondContact O-N 2.91Å; E235-K239 PolarHBondContact O-N 3.44Å; E235-K239 VanDerWaalsContact O-N 3.09Å; E235-K239 WeakPolarHBondContact OE1-CE 3.12Å; E235-K239 IonicContact OE1-NZ 3.23Å; E235-K239 PolarHBondContact OE1-NZ 3.1Å
236	D	96.6	Very high	97.4	Very high	106 Å²	106	81.8 Å²	81.8	57%	0.567	38%	0.384	S	S	*	.	H	α-helix	trans	-64.8	-34.8	175.3	-81	-6.1	0	0	0	112.4	K240	D236-K240 VanDerWaalsContact O-CG 3.32Å; D236-K240 WeakPolarHBondContact O-CG 3.33Å; D236-K240 PolarHBondContact O-N 2.92Å
237	G	98.4	Very high	97.5	Very high	10 Å²	10	77.9 Å²	77.9	10%	0.103	37%	0.374	C	S	.	.	H	α-helix	trans	-65.9	-45.4	176.1	0	0	0	0	0	111.4	T234 E235 K239 K240 A241	T234-G237 PolarHBondContact O-N 2.84Å; E235-G237 VanDerWaalsContact C-N 3.29Å; E235-G237 PolarHBondContact O-N 2.92Å; G237-K239 PolarHBondContact O-N 2.91Å; G237-K240 WeakPolarHBondContact O-CB 3.37Å; G237-K240 PolarHBondContact O-N 3.38Å; G237-A241 PolarHBondContact O-N 3.18Å
238	F	98.7	Very high	97.7	Very high	4 Å²	4	70.3 Å²	70.3	2%	0.018	35%	0.348	C	S	.	.	H	α-helix	trans	-61.6	-44.2	178.9	-173.5	-89.9	0	0	0	111.8	T71 F76 E80 V81 I98 T234 E235 K240 A241 L242	T71-F238 HydrophobicContact CG2-CZ 4.49Å; F76-F238 HydrophobicContact CB-CD2 3.71Å; F76-F238 HydrophobicContact CB-CE2 4.2Å; F76-F238 HydrophobicContact CD1-CB 4.02Å; F76-F238 HydrophobicContact CD1-CD2 4.1Å; F76-F238 HydrophobicContact CD2-CD2 4.35Å; F76-F238 HydrophobicContact CE1-CB 4.12Å; F76-F238 HydrophobicContact CG-CB 4.45Å; F76-F238 AromaticContact CG-CD2 3.8Å; F76-F238 HydrophobicContact CG-CD2 3.8Å; E80-F238 HydrophobicContact CG-CE2 4.12Å; V81-F238 HydrophobicContact CG2-CD2 3.85Å; V81-F238 HydrophobicContact CG2-CE2 3.55Å; V81-F238 HydrophobicContact CG2-CZ 4.19Å; I98-F238 HydrophobicContact CD1-CE1 4.12Å; I98-F238 HydrophobicContact CG2-CE1 4.09Å; I98-F238 HydrophobicContact CG2-CZ 4.33Å; T234-F238 WeakPolarHBondContact O-CB 3.49Å; T234-F238 PolarHBondContact O-N 3.21Å; E235-F238 PolarHBondContact O-N 2.91Å; F238-K240 VanDerWaalsContact C-N 3.32Å; F238-K240 PolarHBondContact O-N 3.41Å; F238-A241 WeakPolarHBondContact O-CB 3.43Å; F238-A241 PolarHBondContact O-N 3Å; F238-A241 VanDerWaalsContact O-N 3.13Å; F238-L242 WeakPolarHBondContact O-CB 3.42Å; F238-L242 PolarHBondContact O-N 3.02Å
239	K	98.5	Very high	97.8	Very high	117 Å²	117	65.3 Å²	65.3	51%	0.509	32%	0.322	S	S	.	.	H	α-helix	trans	-60.3	-40.2	175.1	-72.5	170.7	-178.5	152.4	0	112.6	E235 G237 K243	E235-K239 PolarHBondContact O-N 3.44Å; E235-K239 VanDerWaalsContact O-N 3.09Å; E235-K239 WeakPolarHBondContact OE1-CE 3.12Å; E235-K239 IonicContact OE1-NZ 3.23Å; E235-K239 PolarHBondContact OE1-NZ 3.1Å; G237-K239 PolarHBondContact O-N 2.91Å; K239-K243 PolarHBondContact O-N 3.12Å
240	K	98.8	Very high	97.9	Very high	127 Å²	127	66.2 Å²	66.2	55%	0.552	32%	0.322	S	S	*	.	H	α-helix	trans	-66.2	-40	174.9	-70.5	167.9	-173.1	168	0	111.4	L223 D236 G237 F238 K243 M244	L223-K240 HydrophobicContact CD1-CB 4.09Å; L223-K240 HydrophobicContact CD2-CB 4.29Å; D236-K240 VanDerWaalsContact O-CG 3.32Å; D236-K240 WeakPolarHBondContact O-CG 3.33Å; D236-K240 PolarHBondContact O-N 2.92Å; G237-K240 WeakPolarHBondContact O-CB 3.37Å; G237-K240 PolarHBondContact O-N 3.38Å; F238-K240 VanDerWaalsContact C-N 3.32Å; F238-K240 PolarHBondContact O-N 3.41Å; K240-K243 PolarHBondContact O-N 2.72Å; K240-M244 WeakPolarHBondContact O-CB 3.36Å; K240-M244 PolarHBondContact O-N 2.81Å
241	A	98.8	Very high	98	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-63.8	-47.6	177.3	0	0	0	0	0	110.8	F76 V81 V220 L223 G237 F238 K243 M244 V245	F76-A241 HydrophobicContact CD2-CB 4.26Å; F76-A241 HydrophobicContact CE2-CB 3.73Å; F76-A241 HydrophobicContact CZ-CB 4.47Å; V81-A241 HydrophobicContact CG1-CB 3.94Å; V81-A241 HydrophobicContact CG2-CB 4.07Å; V220-A241 HydrophobicContact CG1-CB 4.11Å; V220-A241 HydrophobicContact CG2-CB 4.4Å; L223-A241 HydrophobicContact CD1-CB 3.73Å; G237-A241 PolarHBondContact O-N 3.18Å; F238-A241 WeakPolarHBondContact O-CB 3.43Å; F238-A241 PolarHBondContact O-N 3Å; F238-A241 VanDerWaalsContact O-N 3.13Å; A241-K243 VanDerWaalsContact C-N 3.31Å; A241-K243 PolarHBondContact O-N 3.42Å; A241-M244 PolarHBondContact O-N 3.24Å; A241-M244 VanDerWaalsContact O-N 3.12Å; A241-V245 WeakPolarHBondContact O-CB 3.48Å; A241-V245 WeakPolarHBondContact O-CG2 3.46Å; A241-V245 PolarHBondContact O-N 3.4Å
242	L	98.8	Very high	98.2	Very high	22 Å²	22	59.3 Å²	59.3	12%	0.115	29%	0.287	C	S	.	.	H	α-helix	trans	-55.3	-45.4	177.8	-169.4	72	0	0	0	112	V81 C84 F85 I98 F238 G246	V81-L242 HydrophobicContact CG1-CB 4.36Å; V81-L242 HydrophobicContact CG1-CD1 4.34Å; V81-L242 WeakPolarHBondContact O-CD1 3.32Å; C84-L242 HydrophobicContact CB-CD1 3.95Å; F85-L242 HydrophobicContact CB-CD1 3.85Å; I98-L242 HydrophobicContact CD1-CD2 3.92Å; F238-L242 WeakPolarHBondContact O-CB 3.42Å; F238-L242 PolarHBondContact O-N 3.02Å; L242-G246 PolarHBondContact O-N 3.36Å
243	K	98.8	Very high	98.3	Very high	126 Å²	126	54.7 Å²	54.7	55%	0.548	27%	0.265	S	S	.	.	H	α-helix	trans	-63.6	-49.7	175	-178.2	176.8	-178.2	-70.4	0	111.9	K239 K240 A241 G246 E247	K239-K243 PolarHBondContact O-N 3.12Å; K240-K243 PolarHBondContact O-N 2.72Å; A241-K243 VanDerWaalsContact C-N 3.31Å; A241-K243 PolarHBondContact O-N 3.42Å; K243-G246 PolarHBondContact O-N 2.8Å; K243-E247 VanDerWaalsContact CE-OE1 3.27Å; K243-E247 WeakPolarHBondContact CE-OE1 3.42Å; K243-E247 HydrophobicContact CG-CG 4.41Å; K243-E247 IonicContact NZ-OE1 2.88Å; K243-E247 PolarHBondContact NZ-OE1 3.48Å; K243-E247 IonicContact NZ-OE2 2.73Å; K243-E247 PolarHBondContact NZ-OE2 3.24Å; K243-E247 WeakPolarHBondContact O-CB 3.41Å; K243-E247 VanDerWaalsContact O-CG 3.31Å; K243-E247 WeakPolarHBondContact O-CG 3.39Å; K243-E247 PolarHBondContact O-N 3.21Å
244	M	98.8	Very high	98.4	Very high	46 Å²	46	54 Å²	54	23%	0.227	26%	0.262	C	S	.	.	H	α-helix	trans	-62.7	-48.4	-176.5	-178.3	-174.1	-60.1	0	0	112.4	R219 L223 K240 A241 G246 E247 E248	R219-M244 HydrophobicContact CB-SD 3.95Å; R219-M244 PolarHBondContact NH2-SD 3.13Å; L223-M244 HydrophobicContact CD1-CE 3.96Å; K240-M244 WeakPolarHBondContact O-CB 3.36Å; K240-M244 PolarHBondContact O-N 2.81Å; A241-M244 PolarHBondContact O-N 3.24Å; A241-M244 VanDerWaalsContact O-N 3.12Å; M244-G246 VanDerWaalsContact C-N 3.33Å; M244-E247 PolarHBondContact O-N 3.29Å; M244-E248 WeakPolarHBondContact O-CB 3.36Å; M244-E248 PolarHBondContact O-N 2.97Å
245	V	98.9	Very high	98.5	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-62.9	-42.7	178.5	170	0	0	0	0	110.4	V81 L82 L216 V220 A241 E248 F249	V81-V245 HydrophobicContact CG1-CB 4Å; V81-V245 HydrophobicContact CG1-CG1 4.41Å; V81-V245 HydrophobicContact CG1-CG2 3.8Å; L82-V245 HydrophobicContact CB-CG1 3.89Å; L82-V245 HydrophobicContact CD1-CG1 3.51Å; L82-V245 HydrophobicContact CG-CG1 4.27Å; L216-V245 HydrophobicContact CD1-CG2 4.05Å; L216-V245 HydrophobicContact CD2-CG1 4.41Å; L216-V245 HydrophobicContact CD2-CG2 4.41Å; L216-V245 HydrophobicContact CG-CG2 4.29Å; V220-V245 HydrophobicContact CG2-CG2 3.45Å; V220-V245 VanDerWaalsContact CG2-CG2 3.45Å; A241-V245 WeakPolarHBondContact O-CB 3.48Å; A241-V245 WeakPolarHBondContact O-CG2 3.46Å; A241-V245 PolarHBondContact O-N 3.4Å; V245-E248 PolarHBondContact O-N 3.19Å; V245-F249 PolarHBondContact O-N 2.87Å
246	G	98.8	Very high	98.6	Very high	2 Å²	2	53.7 Å²	53.7	2%	0.021	26%	0.258	C	S	.	.	H	α-helix	trans	-63.2	-46.3	176.5	0	0	0	0	0	113.6	F85 L242 K243 M244 E248 F249 L250	F85-G246 VanDerWaalsContact CZ-CA 3.42Å; L242-G246 PolarHBondContact O-N 3.36Å; K243-G246 PolarHBondContact O-N 2.8Å; M244-G246 VanDerWaalsContact C-N 3.33Å; G246-E248 VanDerWaalsContact C-N 3.33Å; G246-E248 PolarHBondContact O-N 3.03Å; G246-F249 PolarHBondContact O-N 3.06Å; G246-L250 WeakPolarHBondContact O-CB 3.28Å; G246-L250 VanDerWaalsContact O-CG 3.25Å; G246-L250 WeakPolarHBondContact O-CG 3.15Å; G246-L250 PolarHBondContact O-N 2.96Å
247	E	98.8	Very high	98.7	Very high	104 Å²	104	52 Å²	52	49%	0.486	25%	0.245	S	C	.	.	H	α-helix	trans	-60.9	-42.4	176.5	-75.1	175.2	152.4	0	0	111.6	K243 M244 L250 D251	K243-E247 VanDerWaalsContact CE-OE1 3.27Å; K243-E247 WeakPolarHBondContact CE-OE1 3.42Å; K243-E247 HydrophobicContact CG-CG 4.41Å; K243-E247 IonicContact NZ-OE1 2.88Å; K243-E247 PolarHBondContact NZ-OE1 3.48Å; K243-E247 IonicContact NZ-OE2 2.73Å; K243-E247 PolarHBondContact NZ-OE2 3.24Å; K243-E247 WeakPolarHBondContact O-CB 3.41Å; K243-E247 VanDerWaalsContact O-CG 3.31Å; K243-E247 WeakPolarHBondContact O-CG 3.39Å; K243-E247 PolarHBondContact O-N 3.21Å; M244-E247 PolarHBondContact O-N 3.29Å; E247-L250 PolarHBondContact O-N 3.31Å; E247-D251 WeakPolarHBondContact O-CB 3.34Å; E247-D251 PolarHBondContact O-N 2.84Å
248	E	98.8	Very high	98.6	Very high	67 Å²	67	54.7 Å²	54.7	31%	0.313	26%	0.263	S	S	.	.	H	α-helix	trans	-63.7	-45.5	176.4	-165.5	92.5	-159.4	0	0	111.3	F190 L216 R219 M244 V245 G246 L250 D251 R252	F190-E248 HydrophobicContact CE2-CB 4.28Å; F190-E248 HydrophobicContact CE2-CG 3.78Å; F190-E248 HydrophobicContact CZ-CB 4.29Å; F190-E248 HydrophobicContact CZ-CG 4.2Å; L216-E248 HydrophobicContact CD1-CB 4.38Å; L216-E248 HydrophobicContact CD1-CG 4.36Å; R219-E248 IonicContact CZ-OE2 2.61Å; R219-E248 IonicContact NH1-OE2 2.87Å; R219-E248 PolarHBondContact NH1-OE2 2.68Å; R219-E248 IonicContact NH2-OE2 3.17Å; M244-E248 WeakPolarHBondContact O-CB 3.36Å; M244-E248 PolarHBondContact O-N 2.97Å; V245-E248 PolarHBondContact O-N 3.19Å; G246-E248 VanDerWaalsContact C-N 3.33Å; G246-E248 PolarHBondContact O-N 3.03Å; E248-L250 PolarHBondContact O-N 3.34Å; E248-D251 PolarHBondContact O-N 2.82Å; E248-R252 WeakPolarHBondContact O-CG 3.36Å; E248-R252 PolarHBondContact O-N 3.12Å
249	F	98.8	Very high	98.5	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-62.1	-43.3	177.4	-179.9	-93.3	0	0	0	112.2	F85 F86 Y158 L165 L166 L169 L186 F190 V245 G246 R252 L253	F85-F249 HydrophobicContact CE1-CB 4.1Å; F85-F249 AromaticContact CE1-CD1 3.75Å; F85-F249 HydrophobicContact CE1-CD1 3.75Å; F85-F249 HydrophobicContact CE1-CG 4.18Å; F86-F249 HydrophobicContact CD1-CE1 4.49Å; F86-F249 HydrophobicContact CD1-CZ 4.46Å; F86-F249 AromaticContact CE1-CD1 3.99Å; F86-F249 HydrophobicContact CE1-CD1 3.99Å; F86-F249 AromaticContact CE1-CD2 3.55Å; F86-F249 HydrophobicContact CE1-CD2 3.55Å; F86-F249 AromaticContact CE1-CE1 3.86Å; F86-F249 HydrophobicContact CE1-CE1 3.86Å; F86-F249 AromaticContact CE1-CE2 3.41Å; F86-F249 HydrophobicContact CE1-CE2 3.41Å; F86-F249 VanDerWaalsContact CE1-CE2 3.41Å; F86-F249 AromaticContact CE1-CG 3.83Å; F86-F249 HydrophobicContact CE1-CG 3.83Å; F86-F249 AromaticContact CE1-CZ 3.56Å; F86-F249 HydrophobicContact CE1-CZ 3.56Å; F86-F249 AromaticContact CZ-CD2 3.87Å; F86-F249 HydrophobicContact CZ-CD2 3.87Å; F86-F249 AromaticContact CZ-CE2 3.61Å; F86-F249 HydrophobicContact CZ-CE2 3.61Å; F86-F249 HydrophobicContact CZ-CZ 4.1Å; Y158-F249 HydrophobicContact CE2-CE2 4.4Å; Y158-F249 HydrophobicContact CE2-CZ 4.31Å; L165-F249 HydrophobicContact CD2-CE1 4.41Å; L165-F249 HydrophobicContact CD2-CZ 4.27Å; L166-F249 HydrophobicContact CD2-CE1 4.41Å; L166-F249 HydrophobicContact CD2-CZ 4.1Å; L169-F249 HydrophobicContact CD1-CE1 4.01Å; L186-F249 HydrophobicContact CB-CE2 4.5Å; L186-F249 HydrophobicContact CD1-CZ 4.2Å; L186-F249 HydrophobicContact CD2-CE2 4.23Å; F190-F249 AromaticContact CD1-CD2 3.82Å; F190-F249 HydrophobicContact CD1-CD2 3.82Å; F190-F249 HydrophobicContact CE1-CB 4.04Å; F190-F249 AromaticContact CE1-CD2 3.83Å; F190-F249 HydrophobicContact CE1-CD2 3.83Å; F190-F249 HydrophobicContact CE1-CG 4.45Å; F190-F249 HydrophobicContact CE2-CB 4.46Å; F190-F249 HydrophobicContact CG-CD2 4.33Å; F190-F249 HydrophobicContact CZ-CB 3.83Å; F190-F249 HydrophobicContact CZ-CD2 4.32Å; V245-F249 PolarHBondContact O-N 2.87Å; G246-F249 PolarHBondContact O-N 3.06Å; F249-R252 PolarHBondContact O-N 3.41Å; F249-L253 HydrophobicContact CE1-CD2 4.45Å; F249-L253 WeakPolarHBondContact O-CB 3.46Å; F249-L253 PolarHBondContact O-N 2.8Å
250	L	98.8	Very high	98.5	Very high	67 Å²	67	52 Å²	52	35%	0.351	26%	0.256	S	S	.	.	H	α-helix	trans	-65.2	-39.3	179.5	-70	172.3	0	0	0	112.2	F85 L169 G246 E247 E248 L253 D254	F85-L250 HydrophobicContact CZ-CD1 4.11Å; F85-L250 HydrophobicContact CZ-CD2 4.29Å; F85-L250 HydrophobicContact CZ-CG 3.92Å; L169-L250 HydrophobicContact CD1-CD2 3.96Å; L169-L250 HydrophobicContact CD2-CD2 3.94Å; G246-L250 WeakPolarHBondContact O-CB 3.28Å; G246-L250 VanDerWaalsContact O-CG 3.25Å; G246-L250 WeakPolarHBondContact O-CG 3.15Å; G246-L250 PolarHBondContact O-N 2.96Å; E247-L250 PolarHBondContact O-N 3.31Å; E248-L250 PolarHBondContact O-N 3.34Å; L250-L253 PolarHBondContact O-N 3.35Å; L250-D254 PolarHBondContact O-N 3.38Å
251	D	98.7	Very high	98.5	Very high	103 Å²	103	47 Å²	47	55%	0.551	24%	0.236	S	C	*	.	H	α-helix	trans	-62.3	-44	173.7	-177.4	79.3	0	0	0	111.4	E247 E248 L253 D254 F255	E247-D251 WeakPolarHBondContact O-CB 3.34Å; E247-D251 PolarHBondContact O-N 2.84Å; E248-D251 PolarHBondContact O-N 2.82Å; D251-L253 PolarHBondContact O-N 3.07Å; D251-D254 PolarHBondContact O-N 2.97Å; D251-F255 PolarHBondContact O-N 2.52Å
252	R	98.5	Very high	98.4	Very high	52 Å²	52	50.2 Å²	50.2	20%	0.196	26%	0.257	C	S	.	.	H	α-helix	trans	-65.3	-40.6	177.4	-64.5	-67.3	-60.5	119.5	-2.9	112.2	L186 F190 E248 F249 F255 Y256	L186-R252 HydrophobicContact CD2-CB 4.24Å; F190-R252 HydrophobicContact CD2-CB 4.11Å; F190-R252 HydrophobicContact CD2-CG 3.73Å; F190-R252 HydrophobicContact CE2-CB 4.41Å; F190-R252 HydrophobicContact CE2-CG 3.83Å; E248-R252 WeakPolarHBondContact O-CG 3.36Å; E248-R252 PolarHBondContact O-N 3.12Å; F249-R252 PolarHBondContact O-N 3.41Å; R252-F255 PolarHBondContact O-N 3.43Å; R252-Y256 PolarHBondContact NH2-OH 3.26Å; R252-Y256 WeakPolarHBondContact O-CD2 3.14Å; R252-Y256 PolarHBondContact O-N 3.3Å
253	L	98.7	Very high	98.3	Very high	8 Å²	8	49.4 Å²	49.4	4%	0.042	25%	0.253	C	S	.	.	H	α-helix	trans	-61.5	-47.4	172.9	170.9	59.1	0	0	0	111.4	L166 L169 T170 L186 F249 L250 D251 F255 Y256 K257	L166-L253 HydrophobicContact CD2-CD1 3.87Å; L166-L253 HydrophobicContact CD2-CD2 4.07Å; L169-L253 HydrophobicContact CB-CD2 3.67Å; L169-L253 HydrophobicContact CD1-CD2 3.72Å; L169-L253 HydrophobicContact CG-CD2 4.35Å; T170-L253 HydrophobicContact CG2-CD1 3.76Å; T170-L253 HydrophobicContact CG2-CD2 4.14Å; T170-L253 HydrophobicContact CG2-CG 4.32Å; L186-L253 HydrophobicContact CD1-CB 4.21Å; L186-L253 HydrophobicContact CD1-CD1 3.63Å; L186-L253 HydrophobicContact CD1-CG 4.47Å; L186-L253 HydrophobicContact CD2-CB 4.49Å; F249-L253 HydrophobicContact CE1-CD2 4.45Å; F249-L253 WeakPolarHBondContact O-CB 3.46Å; F249-L253 PolarHBondContact O-N 2.8Å; L250-L253 PolarHBondContact O-N 3.35Å; D251-L253 PolarHBondContact O-N 3.07Å; L253-F255 PolarHBondContact O-N 3.1Å; L253-Y256 PolarHBondContact O-N 3.17Å; L253-K257 VanDerWaalsContact O-CB 3.29Å; L253-K257 WeakPolarHBondContact O-CB 3.4Å; L253-K257 PolarHBondContact O-N 3.19Å
254	D	98.6	Very high	98.3	Very high	91 Å²	91	45.7 Å²	45.7	49%	0.487	24%	0.236	S	C	.	.	H	α-helix	trans	-61.5	-44.3	178	-177	58.4	0	0	0	111.2	L250 D251 Y256 K257 S258	L250-D254 PolarHBondContact O-N 3.38Å; D251-D254 PolarHBondContact O-N 2.97Å; D254-Y256 PolarHBondContact O-N 2.89Å; D254-K257 PolarHBondContact O-N 3.49Å; D254-S258 WeakPolarHBondContact O-CA 3.44Å; D254-S258 WeakPolarHBondContact O-CB 3.31Å; D254-S258 PolarHBondContact O-N 3.49Å; D254-S258 PolarHBondContact O-OG 3.04Å; D254-S258 PolarHBondContact OD1-OG 2.87Å
255	F	98.4	Very high	98.2	Very high	71 Å²	71	46.5 Å²	46.5	31%	0.311	25%	0.25	S	C	.	.	I	π-helix	trans	-55.2	-50.6	173.6	169.6	-96.3	0	0	0	111.8	D251 R252 L253 S259 W260 P292	D251-F255 PolarHBondContact O-N 2.52Å; R252-F255 PolarHBondContact O-N 3.43Å; L253-F255 PolarHBondContact O-N 3.1Å; F255-S259 WeakPolarHBondContact O-CA 3.09Å; F255-S259 VanDerWaalsContact O-CB 3.3Å; F255-S259 WeakPolarHBondContact O-CB 3.03Å; F255-S259 PolarHBondContact O-N 2.69Å; F255-W260 HydrophobicContact CD1-CB 4.34Å; F255-W260 HydrophobicContact CE1-CB 3.84Å; F255-W260 HydrophobicContact CE1-CG 4.34Å; F255-W260 HydrophobicContact CZ-CB 4.15Å; F255-W260 PolarHBondContact O-N 3Å; F255-P292 HydrophobicContact CZ-CB 4.25Å
256	Y	98.6	Very high	98.2	Very high	4 Å²	4	49.8 Å²	49.8	2%	0.016	27%	0.269	C	S	.	.	I	π-helix	trans	-65.8	-42.4	-177.1	-81.8	-63.2	0	0	0	112.3	K185 L186 N189 R252 L253 D254 W260 L261	K185-Y256 HydrophobicContact CB-CD1 4Å; K185-Y256 HydrophobicContact CB-CE1 3.99Å; K185-Y256 HydrophobicContact CB-CG 4.31Å; K185-Y256 HydrophobicContact CD-CE1 4.17Å; K185-Y256 HydrophobicContact CG-CD1 4.43Å; K185-Y256 HydrophobicContact CG-CE1 4.36Å; L186-Y256 HydrophobicContact CD2-CD2 3.84Å; L186-Y256 HydrophobicContact CD2-CE2 4.32Å; L186-Y256 HydrophobicContact CG-CD2 4.19Å; N189-Y256 HydrophobicContact CB-CE2 4.26Å; N189-Y256 WeakPolarHBondContact CB-OH 3.37Å; N189-Y256 PolarHBondContact ND2-OH 3.33Å; R252-Y256 PolarHBondContact NH2-OH 3.26Å; R252-Y256 WeakPolarHBondContact O-CD2 3.14Å; R252-Y256 PolarHBondContact O-N 3.3Å; L253-Y256 PolarHBondContact O-N 3.17Å; D254-Y256 PolarHBondContact O-N 2.89Å; Y256-W260 HydrophobicContact CD1-CB 3.74Å; Y256-W260 AromaticContact CD1-CD2 3.78Å; Y256-W260 HydrophobicContact CD1-CD2 3.78Å; Y256-W260 HydrophobicContact CD1-CE3 4.01Å; Y256-W260 AromaticContact CD1-CG 3.67Å; Y256-W260 HydrophobicContact CD1-CG 3.67Å; Y256-W260 HydrophobicContact CE1-CB 4.37Å; Y256-W260 HydrophobicContact CE1-CD2 4.09Å; Y256-W260 AromaticContact CE1-CG 3.95Å; Y256-W260 HydrophobicContact CE1-CG 3.95Å; Y256-L261 WeakPolarHBondContact O-CB 3.14Å; Y256-L261 PolarHBondContact O-N 3.47Å
257	K	97.9	Very high	98.1	Very high	71 Å²	71	49.7 Å²	49.7	31%	0.309	27%	0.268	S	S	.	.	I	π-helix	trans	-69.7	-50.4	179.7	176.5	-178.6	168.7	-178.7	0	112.3	T170 M172 L182 L253 D254 P262	T170-K257 HydrophobicContact CG2-CD 3.88Å; T170-K257 PolarHBondContact O-NZ 3.43Å; M172-K257 HydrophobicContact CE-CG 4.23Å; L182-K257 HydrophobicContact CD1-CB 4.19Å; L182-K257 HydrophobicContact CD1-CG 4.49Å; L182-K257 HydrophobicContact CD2-CB 4.41Å; L253-K257 VanDerWaalsContact O-CB 3.29Å; L253-K257 WeakPolarHBondContact O-CB 3.4Å; L253-K257 PolarHBondContact O-N 3.19Å; D254-K257 PolarHBondContact O-N 3.49Å; K257-P262 WeakPolarHBondContact O-CD 3.18Å
258	S	97.2	Very high	98.1	Very high	67 Å²	67	47.6 Å²	47.6	47%	0.469	26%	0.259	S	S	.	.	I	π-helix	trans	-93.6	-21.8	-164.9	-55.9	0	0	0	0	112.9	D254 P262	D254-S258 WeakPolarHBondContact O-CA 3.44Å; D254-S258 WeakPolarHBondContact O-CB 3.31Å; D254-S258 PolarHBondContact O-N 3.49Å; D254-S258 PolarHBondContact O-OG 3.04Å; D254-S258 PolarHBondContact OD1-OG 2.87Å; S258-P262 WeakPolarHBondContact O-CG 3.49Å
259	S	97.4	Very high	98.1	Very high	47 Å²	47	48.7 Å²	48.7	33%	0.329	26%	0.264	S	S	.	.	I	π-helix	trans	-119.5	-57.7	-178.9	-173.6	0	0	0	0	113	F255 P262 A263	F255-S259 WeakPolarHBondContact O-CA 3.09Å; F255-S259 VanDerWaalsContact O-CB 3.3Å; F255-S259 WeakPolarHBondContact O-CB 3.03Å; F255-S259 PolarHBondContact O-N 2.69Å; S259-P262 WeakPolarHBondContact O-CD 3.29Å; S259-P262 WeakPolarHBondContact O-CG 3.5Å; S259-A263 WeakPolarHBondContact O-CB 3.41Å; S259-A263 PolarHBondContact O-N 2.76Å
260	W	98.2	Very high	98	Very high	16 Å²	16	48.9 Å²	48.9	6%	0.061	27%	0.266	C	S	.	.	I	π-helix	trans	-69.2	-48.1	-172.4	-175.8	97.8	0	0	0	112.7	V181 K185 F255 Y256 A263 P292 E295 H296	V181-W260 HydrophobicContact CG1-CH2 4.22Å; V181-W260 HydrophobicContact CG1-CZ3 3.76Å; K185-W260 HydrophobicContact CD-CH2 3.72Å; K185-W260 HydrophobicContact CD-CZ2 3.7Å; K185-W260 HydrophobicContact CD-CZ3 4.27Å; K185-W260 VanDerWaalsContact CE-CH2 3.45Å; K185-W260 VanDerWaalsContact CE-CZ2 3.47Å; K185-W260 HydrophobicContact CG-CE3 4.43Å; K185-W260 HydrophobicContact CG-CH2 3.74Å; K185-W260 HydrophobicContact CG-CZ2 4.21Å; K185-W260 HydrophobicContact CG-CZ3 3.85Å; F255-W260 HydrophobicContact CD1-CB 4.34Å; F255-W260 HydrophobicContact CE1-CB 3.84Å; F255-W260 HydrophobicContact CE1-CG 4.34Å; F255-W260 HydrophobicContact CZ-CB 4.15Å; F255-W260 PolarHBondContact O-N 3Å; Y256-W260 HydrophobicContact CD1-CB 3.74Å; Y256-W260 AromaticContact CD1-CD2 3.78Å; Y256-W260 HydrophobicContact CD1-CD2 3.78Å; Y256-W260 HydrophobicContact CD1-CE3 4.01Å; Y256-W260 AromaticContact CD1-CG 3.67Å; Y256-W260 HydrophobicContact CD1-CG 3.67Å; Y256-W260 HydrophobicContact CE1-CB 4.37Å; Y256-W260 HydrophobicContact CE1-CD2 4.09Å; Y256-W260 AromaticContact CE1-CG 3.95Å; Y256-W260 HydrophobicContact CE1-CG 3.95Å; W260-A263 VanDerWaalsContact O-CB 3.26Å; W260-A263 WeakPolarHBondContact O-CB 3.14Å; W260-A263 PolarHBondContact O-N 3.38Å; W260-P292 HydrophobicContact CB-CG 4.35Å; W260-E295 HydrophobicContact CZ2-CB 4.22Å; W260-H296 AromaticContact CD2-CE1 3.75Å; W260-H296 AromaticContact CD2-NE2 3.57Å; W260-H296 AromaticContact CE2-CE1 3.53Å; W260-H296 AromaticContact CE2-NE2 3.53Å; W260-H296 AromaticContact CE3-CE1 3.83Å; W260-H296 AromaticContact CE3-NE2 3.98Å; W260-H296 AromaticContact CG-NE2 3.96Å; W260-H296 AromaticContact CH2-CE1 3.44Å; W260-H296 VanDerWaalsContact CH2-CE1 3.44Å; W260-H296 WeakPolarHBondContact CH2-CE1 3.25Å; W260-H296 AromaticContact CZ2-CE1 3.39Å; W260-H296 WeakPolarHBondContact CZ2-CE1 3.45Å; W260-H296 AromaticContact CZ2-NE2 3.88Å; W260-H296 AromaticContact CZ3-CE1 3.67Å; W260-H296 AromaticContact NE1-NE2 3.93Å; W260-H296 PolarHBondContact O-NE2 3.45Å
261	L	97.6	Very high	98	Very high	24 Å²	24	46.1 Å²	46.1	13%	0.126	25%	0.251	C	S	.	.	H	α-helix	trans	-60.3	-50.1	-177.8	-174.2	70.6	0	0	0	113	Q178 V181 L182 Y256 A263 R264	Q178-L261 HydrophobicContact CB-CD2 3.89Å; Q178-L261 HydrophobicContact CG-CD2 4.07Å; V181-L261 HydrophobicContact CB-CD1 4.43Å; V181-L261 HydrophobicContact CG1-CD1 3.96Å; L182-L261 HydrophobicContact CD2-CD2 4.49Å; L182-L261 HydrophobicContact CG-CD2 4.47Å; Y256-L261 WeakPolarHBondContact O-CB 3.14Å; Y256-L261 PolarHBondContact O-N 3.47Å; L261-A263 PolarHBondContact O-N 3.4Å; L261-R264 WeakPolarHBondContact O-CB 3.32Å; L261-R264 PolarHBondContact O-N 2.88Å
262	P	97	Very high	97.9	Very high	67 Å²	67	47.5 Å²	47.5	44%	0.435	25%	0.252	S	S	.	.	H	α-helix	trans	-66.9	-22.9	177.2	24.8	-33.8	0	0	0	113.4	K257 S258 S259 R264 A265	K257-P262 WeakPolarHBondContact O-CD 3.18Å; S258-P262 WeakPolarHBondContact O-CG 3.49Å; S259-P262 WeakPolarHBondContact O-CD 3.29Å; S259-P262 WeakPolarHBondContact O-CG 3.5Å; P262-R264 PolarHBondContact O-N 3.28Å; P262-A265 PolarHBondContact O-N 3.3Å
263	A	97.9	Very high	97.8	Very high	5 Å²	5	48.6 Å²	48.6	4%	0.041	26%	0.259	C	S	.	.	H	α-helix	trans	-59.9	-27.5	177	0	0	0	0	0	112.8	S259 W260 L261 A265 V266 V267 P292	S259-A263 WeakPolarHBondContact O-CB 3.41Å; S259-A263 PolarHBondContact O-N 2.76Å; W260-A263 VanDerWaalsContact O-CB 3.26Å; W260-A263 WeakPolarHBondContact O-CB 3.14Å; W260-A263 PolarHBondContact O-N 3.38Å; L261-A263 PolarHBondContact O-N 3.4Å; A263-A265 VanDerWaalsContact C-N 3.28Å; A263-A265 PolarHBondContact O-N 3.33Å; A263-V266 WeakPolarHBondContact O-CB 3.44Å; A263-V266 PolarHBondContact O-N 2.95Å; A263-V267 WeakPolarHBondContact O-CG2 3.09Å; A263-V267 PolarHBondContact O-N 3.45Å; A263-P292 HydrophobicContact CB-CG 3.62Å
264	R	97.4	Very high	97.7	Very high	48 Å²	48	50.7 Å²	50.7	18%	0.181	27%	0.267	C	S	.	.	H	α-helix	trans	-51.9	-46.5	177.3	-179.9	61.2	-171.2	-141.4	-10.6	112.2	L261 P262 V266 V267 E268 H296 L300 E303	L261-R264 WeakPolarHBondContact O-CB 3.32Å; L261-R264 PolarHBondContact O-N 2.88Å; P262-R264 PolarHBondContact O-N 3.28Å; R264-V266 VanDerWaalsContact C-N 3.32Å; R264-V266 PolarHBondContact O-N 3.47Å; R264-V267 PolarHBondContact O-N 2.96Å; R264-E268 IonicContact CZ-OE1 3.93Å; R264-E268 IonicContact NE-OE1 3.17Å; R264-E268 PolarHBondContact NE-OE1 3.28Å; R264-E268 IonicContact NH2-OE1 2.67Å; R264-E268 PolarHBondContact NH2-OE1 2.93Å; R264-E268 WeakPolarHBondContact O-CB 3.47Å; R264-E268 WeakPolarHBondContact O-CG 3.47Å; R264-E268 PolarHBondContact O-N 3.04Å; R264-H296 WeakPolarHBondContact CD-ND1 3.26Å; R264-L300 VanDerWaalsContact CZ-CD2 3.43Å; R264-E303 IonicContact CZ-OE1 3.81Å; R264-E303 IonicContact CZ-OE2 3.74Å; R264-E303 IonicContact NH1-OE1 2.68Å; R264-E303 PolarHBondContact NH1-OE1 3.4Å; R264-E303 IonicContact NH1-OE2 3.85Å; R264-E303 IonicContact NH2-OE1 3.39Å; R264-E303 PolarHBondContact NH2-OE1 3.06Å; R264-E303 IonicContact NH2-OE2 3.1Å; R264-E303 PolarHBondContact NH2-OE2 3.43Å
265	A	97.4	Very high	97.7	Very high	63 Å²	63	50.5 Å²	50.5	52%	0.521	27%	0.266	S	S	.	.	H	α-helix	trans	-65.5	-36.4	-179.6	0	0	0	0	0	112.3	P262 A263 Q269	P262-A265 PolarHBondContact O-N 3.3Å; A263-A265 VanDerWaalsContact C-N 3.28Å; A263-A265 PolarHBondContact O-N 3.33Å; A265-Q269 WeakPolarHBondContact O-CB 3.18Å; A265-Q269 PolarHBondContact O-N 2.96Å
266	V	97.9	Very high	97.6	Very high	68 Å²	68	55 Å²	55	41%	0.412	29%	0.287	S	S	.	.	H	α-helix	trans	-66.4	-44.3	177	-180	0	0	0	0	110.7	A263 R264 Q269 A270 F286	A263-V266 WeakPolarHBondContact O-CB 3.44Å; A263-V266 PolarHBondContact O-N 2.95Å; R264-V266 VanDerWaalsContact C-N 3.32Å; R264-V266 PolarHBondContact O-N 3.47Å; V266-Q269 PolarHBondContact O-N 2.83Å; V266-A270 PolarHBondContact O-N 2.95Å; V266-F286 HydrophobicContact CG1-CD1 3.81Å; V266-F286 HydrophobicContact CG1-CE1 4.08Å
267	V	98.3	Very high	97.5	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-66.7	-43.2	177.8	-175.1	0	0	0	0	111.2	A263 R264 Q269 A270 F271 F286 W293 H296 L297 L300	A263-V267 WeakPolarHBondContact O-CG2 3.09Å; A263-V267 PolarHBondContact O-N 3.45Å; R264-V267 PolarHBondContact O-N 2.96Å; V267-Q269 VanDerWaalsContact C-N 3.3Å; V267-Q269 PolarHBondContact O-N 3.29Å; V267-A270 PolarHBondContact O-N 3.39Å; V267-F271 VanDerWaalsContact O-CB 3.25Å; V267-F271 WeakPolarHBondContact O-CB 3.46Å; V267-F271 PolarHBondContact O-N 3.5Å; V267-F286 HydrophobicContact CG2-CE1 4.18Å; V267-F286 HydrophobicContact CG2-CZ 3.97Å; V267-W293 HydrophobicContact CG2-CB 3.69Å; V267-H296 HydrophobicContact CB-CB 4.02Å; V267-H296 HydrophobicContact CG1-CB 4.14Å; V267-H296 HydrophobicContact CG2-CB 3.94Å; V267-L297 HydrophobicContact CG1-CB 4.18Å; V267-L300 HydrophobicContact CB-CD1 4.25Å; V267-L300 HydrophobicContact CG1-CD1 3.72Å
268	E	97.9	Very high	97.5	Very high	60 Å²	60	53.2 Å²	53.2	28%	0.28	28%	0.283	S	S	.	.	H	α-helix	trans	-57.4	-42.9	174.4	-82.4	-179.6	-175	0	0	112.5	R264 F271 K272 L300	R264-E268 IonicContact CZ-OE1 3.93Å; R264-E268 IonicContact NE-OE1 3.17Å; R264-E268 PolarHBondContact NE-OE1 3.28Å; R264-E268 IonicContact NH2-OE1 2.67Å; R264-E268 PolarHBondContact NH2-OE1 2.93Å; R264-E268 WeakPolarHBondContact O-CB 3.47Å; R264-E268 WeakPolarHBondContact O-CG 3.47Å; R264-E268 PolarHBondContact O-N 3.04Å; E268-F271 PolarHBondContact O-N 2.84Å; E268-K272 WeakPolarHBondContact O-CG 3.39Å; E268-K272 PolarHBondContact O-N 3.1Å; E268-L300 HydrophobicContact CG-CD1 3.8Å; E268-L300 HydrophobicContact CG-CD2 3.61Å; E268-L300 HydrophobicContact CG-CG 4.26Å
269	Q	97.9	Very high	97.4	Very high	90 Å²	90	55.3 Å²	55.3	42%	0.421	30%	0.295	S	S	.	.	H	α-helix	trans	-66.9	-50	179.2	-171.7	60.9	22.6	0	0	111.4	A265 V266 V267 F271 K272 E273	A265-Q269 WeakPolarHBondContact O-CB 3.18Å; A265-Q269 PolarHBondContact O-N 2.96Å; V266-Q269 PolarHBondContact O-N 2.83Å; V267-Q269 VanDerWaalsContact C-N 3.3Å; V267-Q269 PolarHBondContact O-N 3.29Å; Q269-F271 PolarHBondContact O-N 3.47Å; Q269-K272 PolarHBondContact O-N 3.17Å; Q269-K272 VanDerWaalsContact O-N 3.08Å; Q269-E273 PolarHBondContact NE2-OE1 3.38Å; Q269-E273 WeakPolarHBondContact O-CG 3.33Å; Q269-E273 PolarHBondContact O-N 2.95Å
270	A	98.1	Very high	97.4	Very high	5 Å²	5	55.3 Å²	55.3	4%	0.041	29%	0.294	C	S	.	.	H	α-helix	trans	-57.5	-39.4	176.5	0	0	0	0	0	111.3	V266 V267 E273 R274 L285 F286	V266-A270 PolarHBondContact O-N 2.95Å; V267-A270 PolarHBondContact O-N 3.39Å; A270-E273 PolarHBondContact O-N 3.23Å; A270-R274 PolarHBondContact O-N 2.91Å; A270-L285 WeakPolarHBondContact CB-O 3.43Å; A270-F286 HydrophobicContact CB-CD1 3.84Å; A270-F286 HydrophobicContact CB-CE1 3.46Å; A270-F286 VanDerWaalsContact CB-CE1 3.46Å; A270-F286 HydrophobicContact CB-CZ 4.31Å
271	F	97.8	Very high	97.3	Very high	8 Å²	8	54.7 Å²	54.7	4%	0.035	29%	0.293	C	S	.	.	H	α-helix	trans	-62.9	-42.7	176.8	-166.4	-87.8	0	0	0	112	V267 E268 Q269 E273 R274 L284 L297 E301 L304 V306 I310	V267-F271 VanDerWaalsContact O-CB 3.25Å; V267-F271 WeakPolarHBondContact O-CB 3.46Å; V267-F271 PolarHBondContact O-N 3.5Å; E268-F271 PolarHBondContact O-N 2.84Å; Q269-F271 PolarHBondContact O-N 3.47Å; F271-E273 VanDerWaalsContact C-N 3.32Å; F271-E273 PolarHBondContact O-N 3.42Å; F271-R274 VanDerWaalsContact CE1-CZ 3.47Å; F271-R274 WeakPolarHBondContact O-CD 3.38Å; F271-R274 WeakPolarHBondContact O-CG 3.27Å; F271-R274 PolarHBondContact O-N 2.9Å; F271-R274 PolarHBondContact O-NH1 3.11Å; F271-L284 HydrophobicContact CB-CD2 4.42Å; F271-L284 HydrophobicContact CD2-CD2 4.3Å; F271-L297 HydrophobicContact CD2-CD1 3.95Å; F271-L297 HydrophobicContact CE2-CD1 4.24Å; F271-E301 HydrophobicContact CE2-CG 4.11Å; F271-L304 HydrophobicContact CD1-CD1 4.04Å; F271-L304 HydrophobicContact CE1-CD1 3.78Å; F271-V306 HydrophobicContact CE1-CG2 4.19Å; F271-V306 HydrophobicContact CE2-CG2 4.39Å; F271-V306 HydrophobicContact CZ-CB 4.46Å; F271-V306 HydrophobicContact CZ-CG1 4.13Å; F271-V306 HydrophobicContact CZ-CG2 3.52Å; F271-I310 HydrophobicContact CD2-CD1 4.26Å; F271-I310 HydrophobicContact CD2-CG1 4.13Å; F271-I310 HydrophobicContact CE2-CD1 3.93Å; F271-I310 HydrophobicContact CE2-CG1 3.85Å
272	K	96.9	Very high	97.3	Very high	132 Å²	132	55 Å²	55	57%	0.574	29%	0.294	S	S	*	.	H	α-helix	trans	-65.1	-35.8	176.1	-71.1	166.5	-172.9	167.6	0	112.5	E268 Q269	E268-K272 WeakPolarHBondContact O-CG 3.39Å; E268-K272 PolarHBondContact O-N 3.1Å; Q269-K272 PolarHBondContact O-N 3.17Å; Q269-K272 VanDerWaalsContact O-N 3.08Å
273	E	96.9	Very high	97.4	Very high	76 Å²	76	51.8 Å²	51.8	36%	0.355	27%	0.273	S	S	.	.	H	α-helix	trans	-84.9	-8.6	-176.5	-68.3	175.6	170.6	0	0	114.1	Q269 A270 F271 N275 Q276 V277	Q269-E273 PolarHBondContact NE2-OE1 3.38Å; Q269-E273 WeakPolarHBondContact O-CG 3.33Å; Q269-E273 PolarHBondContact O-N 2.95Å; A270-E273 PolarHBondContact O-N 3.23Å; F271-E273 VanDerWaalsContact C-N 3.32Å; F271-E273 PolarHBondContact O-N 3.42Å; E273-N275 VanDerWaalsContact C-N 3.25Å; E273-N275 PolarHBondContact O-N 2.99Å; E273-Q276 WeakPolarHBondContact O-CA 3.38Å; E273-Q276 VanDerWaalsContact O-CB 3.29Å; E273-Q276 WeakPolarHBondContact O-CB 3.26Å; E273-Q276 PolarHBondContact O-N 3.05Å; E273-V277 PolarHBondContact O-N 3.29Å
274	R	97.3	Very high	97.4	Very high	52 Å²	52	51.5 Å²	51.5	20%	0.196	27%	0.271	C	S	.	.	H	α-helix	trans	-49.3	-38.3	-172.4	72.1	-169.2	-172.7	-78.9	3.3	115.4	A270 F271 Q276 V277 D278 G281 L284	A270-R274 PolarHBondContact O-N 2.91Å; F271-R274 VanDerWaalsContact CE1-CZ 3.47Å; F271-R274 WeakPolarHBondContact O-CD 3.38Å; F271-R274 WeakPolarHBondContact O-CG 3.27Å; F271-R274 PolarHBondContact O-N 2.9Å; F271-R274 PolarHBondContact O-NH1 3.11Å; R274-Q276 VanDerWaalsContact C-N 3.26Å; R274-Q276 PolarHBondContact O-N 3.48Å; R274-V277 WeakPolarHBondContact O-CB 3.47Å; R274-V277 PolarHBondContact O-N 3.04Å; R274-V277 VanDerWaalsContact O-N 3.16Å; R274-D278 PolarHBondContact O-N 3.41Å; R274-D278 VanDerWaalsContact O-O 3.1Å; R274-G281 WeakPolarHBondContact CD-O 3.35Å; R274-G281 PolarHBondContact NE-O 3.48Å; R274-L284 HydrophobicContact CB-CD2 3.74Å
275	N	96.6	Very high	97.5	Very high	87 Å²	87	51 Å²	51	47%	0.465	27%	0.272	S	S	.	.	H	α-helix	trans	-70.2	-22.4	179.2	-64.7	-42.5	0	0	0	113.2	E273 D278 G281	E273-N275 VanDerWaalsContact C-N 3.25Å; E273-N275 PolarHBondContact O-N 2.99Å; N275-D278 WeakPolarHBondContact CA-O 3.36Å; N275-D278 CarbonylContact O-C 3.51Å; N275-G281 WeakPolarHBondContact OD1-CA 3.49Å
276	Q	97.3	Very high	97.5	Very high	164 Å²	164	48.1 Å²	48.1	77%	0.766	25%	0.247	S	C	*	.	H	α-helix	trans	-80.9	-29.3	173.6	-55	176.2	40.7	0	0	111.2	E273 R274	E273-Q276 WeakPolarHBondContact O-CA 3.38Å; E273-Q276 VanDerWaalsContact O-CB 3.29Å; E273-Q276 WeakPolarHBondContact O-CB 3.26Å; E273-Q276 PolarHBondContact O-N 3.05Å; R274-Q276 VanDerWaalsContact C-N 3.26Å; R274-Q276 PolarHBondContact O-N 3.48Å
277	V	97.3	Very high	97.3	Very high	28 Å²	28	49.3 Å²	49.3	17%	0.17	26%	0.259	C	S	.	.	H	α-helix	trans	-71	-52.2	173.5	178.3	0	0	0	0	109.9	E273 R274 V283 L285 L380 R384	E273-V277 PolarHBondContact O-N 3.29Å; R274-V277 WeakPolarHBondContact O-CB 3.47Å; R274-V277 PolarHBondContact O-N 3.04Å; R274-V277 VanDerWaalsContact O-N 3.16Å; V277-V283 HydrophobicContact CG1-CG1 4.25Å; V277-L285 HydrophobicContact CB-CB 4.49Å; V277-L285 HydrophobicContact CG1-CB 3.93Å; V277-L285 HydrophobicContact CG1-CD1 4.27Å; V277-L285 HydrophobicContact CG2-CB 3.7Å; V277-L380 HydrophobicContact CG1-CD1 4.29Å; V277-R384 PolarHBondContact O-NH2 3.26Å
278	D	97.4	Very high	97	Very high	11 Å²	11	56.3 Å²	56.3	6%	0.059	29%	0.291	C	S	.	.			trans	-145.7	132.5	176.7	-168	-103.8	0	0	0	111.5	R274 N275 S280 G281 V283 L380 R384	R274-D278 PolarHBondContact O-N 3.41Å; R274-D278 VanDerWaalsContact O-O 3.1Å; N275-D278 WeakPolarHBondContact CA-O 3.36Å; N275-D278 CarbonylContact O-C 3.51Å; D278-S280 PolarHBondContact O-N 2.85Å; D278-S280 WeakPolarHBondContact OD1-CB 3.37Å; D278-S280 PolarHBondContact OD1-N 3.28Å; D278-S280 PolarHBondContact OD1-OG 3.15Å; D278-G281 PolarHBondContact O-N 3.41Å; D278-V283 HydrophobicContact CB-CB 4.16Å; D278-V283 HydrophobicContact CB-CG2 4.14Å; D278-L380 HydrophobicContact CB-CD1 4.33Å; D278-R384 IonicContact OD2-CZ 2.86Å; D278-R384 VanDerWaalsContact OD2-CZ 3.25Å; D278-R384 IonicContact OD2-NE 2.66Å; D278-R384 PolarHBondContact OD2-NE 3.38Å; D278-R384 IonicContact OD2-NH2 2.91Å; D278-R384 PolarHBondContact OD2-NH2 3.28Å
279	P	95.8	Very high	96.7	Very high	111 Å²	111	55.1 Å²	55.1	72%	0.721	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-18.7	-179.5	-26.4	35.2	0	0	0	115.3	G281	P279-G281 PolarHBondContact O-N 3.44Å
280	S	95.9	Very high	96.4	Very high	46 Å²	46	54.4 Å²	54.4	32%	0.322	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-27.6	172.9	64.8	0	0	0	0	112.7	D278 E282	D278-S280 PolarHBondContact O-N 2.85Å; D278-S280 WeakPolarHBondContact OD1-CB 3.37Å; D278-S280 PolarHBondContact OD1-N 3.28Å; D278-S280 PolarHBondContact OD1-OG 3.15Å; S280-E282 PolarHBondContact O-N 3.18Å; S280-E282 PolarHBondContact OG-N 3.46Å
281	G	96.6	Very high	96.3	Very high	3 Å²	3	55.4 Å²	55.4	3%	0.031	32%	0.318	C	S	.	.	S	Bend	trans	69.7	11.3	-170.8	0	0	0	0	0	114	R274 N275 D278 P279 I310	R274-G281 WeakPolarHBondContact CD-O 3.35Å; R274-G281 PolarHBondContact NE-O 3.48Å; N275-G281 WeakPolarHBondContact OD1-CA 3.49Å; D278-G281 PolarHBondContact O-N 3.41Å; P279-G281 PolarHBondContact O-N 3.44Å; G281-I310 VanDerWaalsContact O-CD1 3.23Å; G281-I310 WeakPolarHBondContact O-CD1 3.2Å
282	E	98.3	Very high	96.3	Very high	30 Å²	30	56.4 Å²	56.4	14%	0.14	33%	0.326	C	S	.	.			trans	-103	6.7	-175.1	-53.8	-169.1	-82.2	0	0	113.2	S280 K311 F312 L387	S280-E282 PolarHBondContact O-N 3.18Å; S280-E282 PolarHBondContact OG-N 3.46Å; E282-K311 HydrophobicContact CB-CB 4.47Å; E282-K311 HydrophobicContact CB-CD 4.31Å; E282-K311 HydrophobicContact CB-CG 4.49Å; E282-K311 PolarHBondContact O-N 2.84Å; E282-K311 IonicContact OE1-NZ 2.96Å; E282-K311 PolarHBondContact OE1-NZ 2.83Å; E282-K311 WeakPolarHBondContact OE2-CD 3.28Å; E282-K311 WeakPolarHBondContact OE2-CE 3.36Å; E282-K311 IonicContact OE2-NZ 2.64Å; E282-K311 PolarHBondContact OE2-NZ 3.12Å; E282-F312 PolarHBondContact O-N 2.74Å; E282-L387 HydrophobicContact CB-CD2 4.33Å
283	V	98.6	Very high	96.3	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	124.7	-177.1	-173.3	0	0	0	0	110.1	V277 D278 F312 L314 L380 A383 L387	V277-V283 HydrophobicContact CG1-CG1 4.25Å; D278-V283 HydrophobicContact CB-CB 4.16Å; D278-V283 HydrophobicContact CB-CG2 4.14Å; V283-F312 WeakPolarHBondContact CA-O 3.39Å; V283-F312 HydrophobicContact CG1-CB 4.32Å; V283-F312 HydrophobicContact CG2-CB 4.37Å; V283-F312 HydrophobicContact CG2-CD2 4.47Å; V283-L314 HydrophobicContact CG1-CD1 3.85Å; V283-L314 HydrophobicContact CG1-CD2 4.45Å; V283-L314 HydrophobicContact CG1-CG 3.78Å; V283-L380 HydrophobicContact CG1-CD1 4.08Å; V283-A383 HydrophobicContact CG2-CB 4.32Å; V283-L387 HydrophobicContact CG2-CD1 3.98Å
284	L	98.4	Very high	96.3	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	149	168.8	-60.9	-172.2	0	0	0	111	F271 R274 F286 L297 I310 F312 V313 L314	F271-L284 HydrophobicContact CB-CD2 4.42Å; F271-L284 HydrophobicContact CD2-CD2 4.3Å; R274-L284 HydrophobicContact CB-CD2 3.74Å; L284-F286 HydrophobicContact CD1-CZ 4.4Å; L284-L297 HydrophobicContact CD1-CD1 3.86Å; L284-L297 HydrophobicContact CD1-CD2 4.32Å; L284-I310 HydrophobicContact CB-CG2 4.49Å; L284-I310 HydrophobicContact CD1-CG1 4.21Å; L284-I310 HydrophobicContact CD1-CG2 4.21Å; L284-I310 HydrophobicContact CD2-CD1 3.8Å; L284-I310 HydrophobicContact CD2-CG1 4.12Å; L284-I310 HydrophobicContact CG-CB 4.49Å; L284-I310 HydrophobicContact CG-CD1 4.11Å; L284-I310 HydrophobicContact CG-CG1 3.98Å; L284-I310 HydrophobicContact CG-CG2 3.72Å; L284-F312 PolarHBondContact N-O 2.84Å; L284-V313 HydrophobicContact CB-CG2 4.39Å; L284-V313 CarbonylContact O-C 3.51Å; L284-V313 WeakPolarHBondContact O-CA 3.25Å; L284-L314 PolarHBondContact O-N 2.98Å
285	L	98.4	Very high	96.3	Very high	37 Å²	37	51.3 Å²	51.3	19%	0.194	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	128.4	172.8	-174.6	145.2	0	0	0	109.7	A270 V277 Q376	A270-L285 WeakPolarHBondContact CB-O 3.43Å; V277-L285 HydrophobicContact CB-CB 4.49Å; V277-L285 HydrophobicContact CG1-CB 3.93Å; V277-L285 HydrophobicContact CG1-CD1 4.27Å; V277-L285 HydrophobicContact CG2-CB 3.7Å; L285-Q376 VanDerWaalsContact CD1-CD 3.5Å; L285-Q376 HydrophobicContact CD1-CG 3.93Å; L285-Q376 VanDerWaalsContact CD1-NE2 3.31Å
286	F	98.1	Very high	96.4	Very high	3 Å²	3	47.5 Å²	47.5	1%	0.013	28%	0.284	C	S	.	.			trans	-108.7	131.9	168.2	-61.4	-56.8	0	0	0	109.7	V266 V267 A270 L284 Q288 W293 V313 L314 P316	V266-F286 HydrophobicContact CG1-CD1 3.81Å; V266-F286 HydrophobicContact CG1-CE1 4.08Å; V267-F286 HydrophobicContact CG2-CE1 4.18Å; V267-F286 HydrophobicContact CG2-CZ 3.97Å; A270-F286 HydrophobicContact CB-CD1 3.84Å; A270-F286 HydrophobicContact CB-CE1 3.46Å; A270-F286 VanDerWaalsContact CB-CE1 3.46Å; A270-F286 HydrophobicContact CB-CZ 4.31Å; L284-F286 HydrophobicContact CD1-CZ 4.4Å; F286-Q288 WeakPolarHBondContact CB-O 3.41Å; F286-Q288 PolarHBondContact O-N 3.22Å; F286-W293 HydrophobicContact CE2-CB 3.53Å; F286-W293 AromaticContact CE2-CD1 3.68Å; F286-W293 HydrophobicContact CE2-CD2 4.39Å; F286-W293 AromaticContact CE2-CG 3.6Å; F286-W293 HydrophobicContact CE2-CG 3.6Å; F286-W293 HydrophobicContact CZ-CB 3.58Å; F286-W293 HydrophobicContact CZ-CG 4.15Å; F286-V313 HydrophobicContact CD2-CG1 3.32Å; F286-V313 HydrophobicContact CE2-CG1 3.23Å; F286-V313 HydrophobicContact CZ-CG1 4.39Å; F286-L314 PolarHBondContact N-O 2.89Å; F286-P316 WeakPolarHBondContact O-CD 3.09Å
287	S	93.5	Very high	96.4	Very high	93 Å²	93	39.7 Å²	39.7	65%	0.65	25%	0.247	S	C	*	.	S	Bend	trans	-68	-18.5	177.4	56.2	0	0	0	0	113.2	P316	S287-P316 WeakPolarHBondContact O-CG 3.14Å
288	Q	91.6	Very high	96.4	Very high	146 Å²	146	40.2 Å²	40.2	68%	0.682	25%	0.247	S	C	*	.	S	Bend	trans	-137.1	145.6	178.4	-59.8	-177.5	31.2	0	0	110.5	F286	F286-Q288 WeakPolarHBondContact CB-O 3.41Å; F286-Q288 PolarHBondContact O-N 3.22Å
289	G	91.8	Very high	96.3	Very high	36 Å²	36	41.4 Å²	41.4	37%	0.371	26%	0.258	S	S	.	.	S	Bend	trans	-75.9	166.1	171.7	0	0	0	0	0	112.9	P316	G289-P316 WeakPolarHBondContact CA-O 3.24Å; G289-P316 PolarHBondContact N-O 2.69Å
290	G	92.3	Very high	96.3	Very high	74 Å²	74	36.4 Å²	36.4	76%	0.763	23%	0.226	S	C	*	.			trans	87.3	-2.1	174.2	0	0	0	0	0	115.6	P292	G290-P292 WeakPolarHBondContact O-CD 3.49Å
291	C	96.3	Very high	96.3	Very high	26 Å²	26	35.1 Å²	35.1	18%	0.176	21%	0.214	C	C	.	.			trans	-61.7	124.8	172.9	-177.7	0	0	0	0	111	W293	C291-W293 VanDerWaalsContact C-N 3.25Å; C291-W293 PolarHBondContact O-N 3.32Å
292	P	96.9	Very high	96.2	Very high	30 Å²	30	43.5 Å²	43.5	20%	0.195	25%	0.25	C	S	.	.			trans	-76.7	73.5	175.4	31.7	-35.8	0	0	0	111.1	F255 W260 A263 G290 H296	F255-P292 HydrophobicContact CZ-CB 4.25Å; W260-P292 HydrophobicContact CB-CG 4.35Å; A263-P292 HydrophobicContact CB-CG 3.62Å; G290-P292 WeakPolarHBondContact O-CD 3.49Å; P292-H296 PolarHBondContact O-CD2 2.86Å
293	W	97.7	Very high	96.1	Very high	12 Å²	12	47.8 Å²	47.8	5%	0.045	27%	0.27	C	S	.	.			trans	-83.4	-22.6	-165.3	57.4	-100	0	0	0	115.9	V267 F286 C291 H296 L297 V313 Q325 V327	V267-W293 HydrophobicContact CG2-CB 3.69Å; F286-W293 HydrophobicContact CE2-CB 3.53Å; F286-W293 AromaticContact CE2-CD1 3.68Å; F286-W293 HydrophobicContact CE2-CD2 4.39Å; F286-W293 AromaticContact CE2-CG 3.6Å; F286-W293 HydrophobicContact CE2-CG 3.6Å; F286-W293 HydrophobicContact CZ-CB 3.58Å; F286-W293 HydrophobicContact CZ-CG 4.15Å; C291-W293 VanDerWaalsContact C-N 3.25Å; C291-W293 PolarHBondContact O-N 3.32Å; W293-H296 PolarHBondContact O-N 3.42Å; W293-L297 HydrophobicContact CE3-CB 4.2Å; W293-L297 HydrophobicContact CE3-CD2 3.8Å; W293-L297 HydrophobicContact CZ3-CD2 3.7Å; W293-L297 WeakPolarHBondContact O-CB 3.34Å; W293-L297 PolarHBondContact O-N 3.05Å; W293-V313 HydrophobicContact CD2-CG2 4.06Å; W293-V313 HydrophobicContact CE3-CG2 3.99Å; W293-V313 HydrophobicContact CH2-CG2 3.86Å; W293-V313 HydrophobicContact CZ2-CB 4.27Å; W293-V313 HydrophobicContact CZ2-CG2 3.9Å; W293-V313 HydrophobicContact CZ3-CG2 3.9Å; W293-Q325 HydrophobicContact CZ2-CG 4.35Å; W293-V327 HydrophobicContact CH2-CB 4.46Å; W293-V327 HydrophobicContact CH2-CG2 4.03Å; W293-V327 HydrophobicContact CZ3-CG1 4.19Å; W293-V327 HydrophobicContact CZ3-CG2 3.99Å
294	K	97.1	Very high	95.9	Very high	87 Å²	87	52.7 Å²	52.7	38%	0.378	30%	0.296	S	S	.	.	H	α-helix	trans	-59	-60.5	-166	-70.7	174.6	-176.4	168.6	0	113.1	H296 L297 F298 L331	K294-H296 VanDerWaalsContact C-N 3.29Å; K294-H296 PolarHBondContact O-N 3.08Å; K294-L297 PolarHBondContact O-N 3.1Å; K294-L297 VanDerWaalsContact O-N 3.16Å; K294-F298 VanDerWaalsContact O-CD2 3.29Å; K294-F298 WeakPolarHBondContact O-CD2 3.47Å; K294-F298 PolarHBondContact O-N 3.46Å; K294-F298 VanDerWaalsContact O-N 3.07Å; K294-L331 HydrophobicContact CB-CD2 4.05Å
295	E	96.6	Very high	95.6	Very high	54 Å²	54	59.6 Å²	59.6	25%	0.252	33%	0.333	S	S	.	.	H	α-helix	trans	-56.8	-44	-179	-75.5	179.7	-118.9	0	0	112.4	K185 W260 L297 F298 A299 L331	K185-E295 WeakPolarHBondContact CE-OE2 3.23Å; K185-E295 IonicContact NZ-OE2 2.84Å; K185-E295 PolarHBondContact NZ-OE2 2.89Å; W260-E295 HydrophobicContact CZ2-CB 4.22Å; E295-L297 VanDerWaalsContact C-N 3.35Å; E295-L297 PolarHBondContact O-N 2.87Å; E295-F298 PolarHBondContact O-N 3.12Å; E295-A299 WeakPolarHBondContact O-CB 3.44Å; E295-A299 PolarHBondContact O-N 3.45Å; E295-L331 HydrophobicContact CB-CD2 4.39Å; E295-L331 HydrophobicContact CG-CD1 4.15Å; E295-L331 HydrophobicContact CG-CD2 3.92Å
296	H	97.7	Very high	95.3	Very high	6 Å²	6	59.4 Å²	59.4	3%	0.028	33%	0.333	C	S	.	.	H	α-helix	trans	-62.1	-41.6	178.3	-67.6	-51.3	0	0	0	112.6	W260 R264 V267 P292 W293 K294 A299 L300	W260-H296 AromaticContact CD2-CE1 3.75Å; W260-H296 AromaticContact CD2-NE2 3.57Å; W260-H296 AromaticContact CE2-CE1 3.53Å; W260-H296 AromaticContact CE2-NE2 3.53Å; W260-H296 AromaticContact CE3-CE1 3.83Å; W260-H296 AromaticContact CE3-NE2 3.98Å; W260-H296 AromaticContact CG-NE2 3.96Å; W260-H296 AromaticContact CH2-CE1 3.44Å; W260-H296 VanDerWaalsContact CH2-CE1 3.44Å; W260-H296 WeakPolarHBondContact CH2-CE1 3.25Å; W260-H296 AromaticContact CZ2-CE1 3.39Å; W260-H296 WeakPolarHBondContact CZ2-CE1 3.45Å; W260-H296 AromaticContact CZ2-NE2 3.88Å; W260-H296 AromaticContact CZ3-CE1 3.67Å; W260-H296 AromaticContact NE1-NE2 3.93Å; W260-H296 PolarHBondContact O-NE2 3.45Å; R264-H296 WeakPolarHBondContact CD-ND1 3.26Å; V267-H296 HydrophobicContact CB-CB 4.02Å; V267-H296 HydrophobicContact CG1-CB 4.14Å; V267-H296 HydrophobicContact CG2-CB 3.94Å; P292-H296 PolarHBondContact O-CD2 2.86Å; W293-H296 PolarHBondContact O-N 3.42Å; K294-H296 VanDerWaalsContact C-N 3.29Å; K294-H296 PolarHBondContact O-N 3.08Å; H296-A299 PolarHBondContact O-N 2.92Å; H296-L300 WeakPolarHBondContact O-CB 3.37Å; H296-L300 WeakPolarHBondContact O-CD1 3.25Å; H296-L300 VanDerWaalsContact O-CG 3.26Å; H296-L300 WeakPolarHBondContact O-CG 3.24Å; H296-L300 PolarHBondContact O-N 2.92Å
297	L	97.9	Very high	94.7	Very high	0 Å²	0	68.3 Å²	68.3	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-62.8	-49	177.8	175.3	58.8	0	0	0	111.5	V267 F271 L284 W293 K294 E295 A299 L300 E301 I310 V327	V267-L297 HydrophobicContact CG1-CB 4.18Å; F271-L297 HydrophobicContact CD2-CD1 3.95Å; F271-L297 HydrophobicContact CE2-CD1 4.24Å; L284-L297 HydrophobicContact CD1-CD1 3.86Å; L284-L297 HydrophobicContact CD1-CD2 4.32Å; W293-L297 HydrophobicContact CE3-CB 4.2Å; W293-L297 HydrophobicContact CE3-CD2 3.8Å; W293-L297 HydrophobicContact CZ3-CD2 3.7Å; W293-L297 WeakPolarHBondContact O-CB 3.34Å; W293-L297 PolarHBondContact O-N 3.05Å; K294-L297 PolarHBondContact O-N 3.1Å; K294-L297 VanDerWaalsContact O-N 3.16Å; E295-L297 VanDerWaalsContact C-N 3.35Å; E295-L297 PolarHBondContact O-N 2.87Å; L297-A299 VanDerWaalsContact C-N 3.32Å; L297-A299 PolarHBondContact O-N 2.9Å; L297-L300 PolarHBondContact O-N 3.16Å; L297-E301 HydrophobicContact CD1-CG 4.07Å; L297-E301 WeakPolarHBondContact O-CG 3.38Å; L297-E301 PolarHBondContact O-N 3.29Å; L297-I310 HydrophobicContact CD1-CB 4.27Å; L297-I310 HydrophobicContact CD1-CG1 3.75Å; L297-I310 HydrophobicContact CD2-CB 4.1Å; L297-I310 HydrophobicContact CD2-CG1 4.47Å; L297-I310 HydrophobicContact CD2-CG2 4.23Å; L297-V327 HydrophobicContact CD2-CG1 4Å; L297-V327 HydrophobicContact CD2-CG2 3.97Å
298	F	96.9	Very high	94.5	Very high	40 Å²	40	67 Å²	67	18%	0.175	37%	0.365	C	S	.	.	H	α-helix	trans	-63	-39.7	179	-85.1	-101.3	0	0	0	112	K294 E295 K302 V327 P328 L331	K294-F298 VanDerWaalsContact O-CD2 3.29Å; K294-F298 WeakPolarHBondContact O-CD2 3.47Å; K294-F298 PolarHBondContact O-N 3.46Å; K294-F298 VanDerWaalsContact O-N 3.07Å; E295-F298 PolarHBondContact O-N 3.12Å; F298-K302 PolarHBondContact O-N 3.09Å; F298-V327 HydrophobicContact CE2-CG1 4.13Å; F298-P328 HydrophobicContact CE2-CG 4.12Å; F298-P328 HydrophobicContact CZ-CG 4.27Å; F298-P328 VanDerWaalsContact CZ-O 3.26Å; F298-P328 WeakPolarHBondContact CZ-O 3.22Å; F298-L331 HydrophobicContact CB-CD1 4.42Å; F298-L331 HydrophobicContact CB-CD2 4.13Å; F298-L331 HydrophobicContact CB-CG 4.29Å; F298-L331 HydrophobicContact CD1-CG 4.32Å; F298-L331 HydrophobicContact CD2-CD2 3.54Å; F298-L331 HydrophobicContact CD2-CG 4.09Å; F298-L331 HydrophobicContact CE2-CD2 4Å; F298-L331 HydrophobicContact CE2-CG 4.44Å; F298-L331 HydrophobicContact CG-CD2 3.86Å; F298-L331 HydrophobicContact CG-CG 3.98Å
299	A	95.4	Very high	94.7	Very high	35 Å²	35	62.5 Å²	62.5	29%	0.289	35%	0.349	S	S	.	.	H	α-helix	trans	-62.4	-47.7	174.4	0	0	0	0	0	111.3	E295 H296 L297 E301 K302 E303	E295-A299 WeakPolarHBondContact O-CB 3.44Å; E295-A299 PolarHBondContact O-N 3.45Å; H296-A299 PolarHBondContact O-N 2.92Å; L297-A299 VanDerWaalsContact C-N 3.32Å; L297-A299 PolarHBondContact O-N 2.9Å; A299-E301 PolarHBondContact O-N 3.16Å; A299-K302 PolarHBondContact O-N 3.14Å; A299-E303 WeakPolarHBondContact O-CB 3.47Å; A299-E303 WeakPolarHBondContact O-CG 3.47Å; A299-E303 PolarHBondContact O-N 3Å
300	L	96.6	Very high	95	Very high	7 Å²	7	60.8 Å²	60.8	4%	0.037	33%	0.332	C	S	.	.	H	α-helix	trans	-59.3	-45.3	178	-80.5	165.8	0	0	0	113.2	R264 V267 E268 H296 L297 K302 E303 L304	R264-L300 VanDerWaalsContact CZ-CD2 3.43Å; V267-L300 HydrophobicContact CB-CD1 4.25Å; V267-L300 HydrophobicContact CG1-CD1 3.72Å; E268-L300 HydrophobicContact CG-CD1 3.8Å; E268-L300 HydrophobicContact CG-CD2 3.61Å; E268-L300 HydrophobicContact CG-CG 4.26Å; H296-L300 WeakPolarHBondContact O-CB 3.37Å; H296-L300 WeakPolarHBondContact O-CD1 3.25Å; H296-L300 VanDerWaalsContact O-CG 3.26Å; H296-L300 WeakPolarHBondContact O-CG 3.24Å; H296-L300 PolarHBondContact O-N 2.92Å; L297-L300 PolarHBondContact O-N 3.16Å; L300-K302 VanDerWaalsContact C-N 3.27Å; L300-K302 PolarHBondContact O-N 3.42Å; L300-E303 PolarHBondContact O-N 3.11Å; L300-L304 HydrophobicContact CD2-CD1 4.38Å; L300-L304 VanDerWaalsContact O-CB 3.32Å; L300-L304 WeakPolarHBondContact O-CB 3.48Å; L300-L304 WeakPolarHBondContact O-CG 3.4Å; L300-L304 PolarHBondContact O-N 3.45Å
301	E	96.1	Very high	95.3	Very high	18 Å²	18	59.6 Å²	59.6	8%	0.084	31%	0.305	C	S	.	.	H	α-helix	trans	-62.6	-37.2	179.8	-74.1	176.2	151.2	0	0	112	F271 L297 A299 D305 V306 P309 I310 R337	F271-E301 HydrophobicContact CE2-CG 4.11Å; L297-E301 HydrophobicContact CD1-CG 4.07Å; L297-E301 WeakPolarHBondContact O-CG 3.38Å; L297-E301 PolarHBondContact O-N 3.29Å; A299-E301 PolarHBondContact O-N 3.16Å; E301-D305 PolarHBondContact O-N 3.01Å; E301-D305 VanDerWaalsContact O-N 3.14Å; E301-V306 HydrophobicContact CB-CB 4.31Å; E301-V306 HydrophobicContact CB-CG2 4.28Å; E301-V306 HydrophobicContact CG-CB 4.31Å; E301-V306 HydrophobicContact CG-CG2 4.26Å; E301-V306 PolarHBondContact O-N 3.47Å; E301-V306 VanDerWaalsContact O-N 3.1Å; E301-P309 WeakPolarHBondContact OE1-CA 2.94Å; E301-I310 PolarHBondContact OE1-N 2.9Å; E301-R337 VanDerWaalsContact CD-NH1 3.26Å; E301-R337 IonicContact OE1-CZ 3.38Å; E301-R337 IonicContact OE1-NH1 2.72Å; E301-R337 PolarHBondContact OE1-NH1 3.3Å; E301-R337 IonicContact OE1-NH2 3.21Å; E301-R337 IonicContact OE2-CZ 3.31Å; E301-R337 VanDerWaalsContact OE2-CZ 3.23Å; E301-R337 IonicContact OE2-NH1 2.91Å; E301-R337 PolarHBondContact OE2-NH1 2.73Å; E301-R337 IonicContact OE2-NH2 3.1Å; E301-R337 PolarHBondContact OE2-NH2 3Å
302	K	94.6	Very high	95.4	Very high	180 Å²	180	58.4 Å²	58.4	78%	0.783	30%	0.297	S	S	*	.	H	α-helix	trans	-70.4	-44.2	174.5	-174.3	-178.1	178.9	-176.1	0	112.1	F298 A299 L300 L304	F298-K302 PolarHBondContact O-N 3.09Å; A299-K302 PolarHBondContact O-N 3.14Å; L300-K302 VanDerWaalsContact C-N 3.27Å; L300-K302 PolarHBondContact O-N 3.42Å; K302-L304 VanDerWaalsContact C-N 3.29Å; K302-L304 PolarHBondContact O-N 2.85Å
303	E	95.4	Very high	95.5	Very high	120 Å²	120	57 Å²	57	56%	0.561	29%	0.288	S	S	*	.	H	α-helix	trans	-64	-34.2	179.7	-73.2	166.2	-139.4	0	0	112.6	R264 A299 L300	R264-E303 IonicContact CZ-OE1 3.81Å; R264-E303 IonicContact CZ-OE2 3.74Å; R264-E303 IonicContact NH1-OE1 2.68Å; R264-E303 PolarHBondContact NH1-OE1 3.4Å; R264-E303 IonicContact NH1-OE2 3.85Å; R264-E303 IonicContact NH2-OE1 3.39Å; R264-E303 PolarHBondContact NH2-OE1 3.06Å; R264-E303 IonicContact NH2-OE2 3.1Å; R264-E303 PolarHBondContact NH2-OE2 3.43Å; A299-E303 WeakPolarHBondContact O-CB 3.47Å; A299-E303 WeakPolarHBondContact O-CG 3.47Å; A299-E303 PolarHBondContact O-N 3Å; L300-E303 PolarHBondContact O-N 3.11Å
304	L	94.5	Very high	95.5	Very high	102 Å²	102	56.4 Å²	56.4	53%	0.534	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	2.4	-176.1	-61.2	177.1	0	0	0	113.9	F271 L300 K302 V306	F271-L304 HydrophobicContact CD1-CD1 4.04Å; F271-L304 HydrophobicContact CE1-CD1 3.78Å; L300-L304 HydrophobicContact CD2-CD1 4.38Å; L300-L304 VanDerWaalsContact O-CB 3.32Å; L300-L304 WeakPolarHBondContact O-CB 3.48Å; L300-L304 WeakPolarHBondContact O-CG 3.4Å; L300-L304 PolarHBondContact O-N 3.45Å; K302-L304 VanDerWaalsContact C-N 3.29Å; K302-L304 PolarHBondContact O-N 2.85Å; L304-V306 HydrophobicContact CB-CG2 3.86Å; L304-V306 PolarHBondContact O-N 2.95Å
305	D	93.1	Very high	95.6	Very high	146 Å²	146	53.9 Å²	53.9	78%	0.781	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.6	55.1	-178.7	-162.2	33	0	0	0	113	E301 E307	E301-D305 PolarHBondContact O-N 3.01Å; E301-D305 VanDerWaalsContact O-N 3.14Å; D305-E307 PolarHBondContact O-N 3.38Å
306	V	90.8	Very high	95.6	Very high	33 Å²	33	52.4 Å²	52.4	20%	0.2	27%	0.269	C	S	.	.			trans	-75.6	115.3	-170.2	179.2	0	0	0	0	111.1	F271 E301 L304 S308	F271-V306 HydrophobicContact CE1-CG2 4.19Å; F271-V306 HydrophobicContact CE2-CG2 4.39Å; F271-V306 HydrophobicContact CZ-CB 4.46Å; F271-V306 HydrophobicContact CZ-CG1 4.13Å; F271-V306 HydrophobicContact CZ-CG2 3.52Å; E301-V306 HydrophobicContact CB-CB 4.31Å; E301-V306 HydrophobicContact CB-CG2 4.28Å; E301-V306 HydrophobicContact CG-CB 4.31Å; E301-V306 HydrophobicContact CG-CG2 4.26Å; E301-V306 PolarHBondContact O-N 3.47Å; E301-V306 VanDerWaalsContact O-N 3.1Å; L304-V306 HydrophobicContact CB-CG2 3.86Å; L304-V306 PolarHBondContact O-N 2.95Å; V306-S308 WeakPolarHBondContact CG1-O 3.43Å
307	E	85.8	Confident	95.5	Very high	189 Å²	189	53.7 Å²	53.7	88%	0.883	28%	0.276	S	S	*	.	S	Bend	trans	-67.3	-36.9	177.9	-63.6	-176.4	174.3	0	0	113.5	D305 P309	D305-E307 PolarHBondContact O-N 3.38Å; E307-P309 VanDerWaalsContact O-CD 3.32Å; E307-P309 WeakPolarHBondContact O-CD 3.04Å
308	S	90	Very high	95.2	Very high	65 Å²	65	62.3 Å²	62.3	46%	0.455	32%	0.321	S	S	.	.	S	Bend	trans	-110.9	92.8	-178.6	-64.8	0	0	0	0	110.3	V306	V306-S308 WeakPolarHBondContact CG1-O 3.43Å
309	P	94.8	Very high	95	Very high	53 Å²	53	66.4 Å²	66.4	34%	0.344	35%	0.345	S	S	.	.			trans	-67.7	148.8	-174.9	26.7	-34.4	0	0	0	111.8	E301 E307 K311	E301-P309 WeakPolarHBondContact OE1-CA 2.94Å; E307-P309 VanDerWaalsContact O-CD 3.32Å; E307-P309 WeakPolarHBondContact O-CD 3.04Å; P309-K311 PolarHBondContact O-N 3.13Å
310	I	98.3	Very high	94.9	Very high	0 Å²	0	67 Å²	67	0%	0	35%	0.354	C	S	.	.			trans	-62.7	134.1	175.4	-56.5	-52.9	0	0	0	109.7	F271 G281 L284 L297 E301 F312 V327 R337	F271-I310 HydrophobicContact CD2-CD1 4.26Å; F271-I310 HydrophobicContact CD2-CG1 4.13Å; F271-I310 HydrophobicContact CE2-CD1 3.93Å; F271-I310 HydrophobicContact CE2-CG1 3.85Å; G281-I310 VanDerWaalsContact O-CD1 3.23Å; G281-I310 WeakPolarHBondContact O-CD1 3.2Å; L284-I310 HydrophobicContact CB-CG2 4.49Å; L284-I310 HydrophobicContact CD1-CG1 4.21Å; L284-I310 HydrophobicContact CD1-CG2 4.21Å; L284-I310 HydrophobicContact CD2-CD1 3.8Å; L284-I310 HydrophobicContact CD2-CG1 4.12Å; L284-I310 HydrophobicContact CG-CB 4.49Å; L284-I310 HydrophobicContact CG-CD1 4.11Å; L284-I310 HydrophobicContact CG-CG1 3.98Å; L284-I310 HydrophobicContact CG-CG2 3.72Å; L297-I310 HydrophobicContact CD1-CB 4.27Å; L297-I310 HydrophobicContact CD1-CG1 3.75Å; L297-I310 HydrophobicContact CD2-CB 4.1Å; L297-I310 HydrophobicContact CD2-CG1 4.47Å; L297-I310 HydrophobicContact CD2-CG2 4.23Å; E301-I310 PolarHBondContact OE1-N 2.9Å; I310-F312 WeakPolarHBondContact CG2-O 3.33Å; I310-V327 HydrophobicContact CB-CG2 4.35Å; I310-V327 HydrophobicContact CG2-CG2 3.79Å; I310-V327 WeakPolarHBondContact O-CB 3.38Å; I310-R337 WeakPolarHBondContact O-CD 3.46Å; I310-R337 PolarHBondContact O-NH1 2.95Å
311	K	98.4	Very high	94.9	Very high	49 Å²	49	69.4 Å²	69.4	21%	0.213	37%	0.365	C	S	.	.			trans	-106	-31.9	178.2	-71.1	168.3	176.5	158.6	0	112.7	E282 P309 V327 L338 L387	E282-K311 HydrophobicContact CB-CB 4.47Å; E282-K311 HydrophobicContact CB-CD 4.31Å; E282-K311 HydrophobicContact CB-CG 4.49Å; E282-K311 PolarHBondContact O-N 2.84Å; E282-K311 IonicContact OE1-NZ 2.96Å; E282-K311 PolarHBondContact OE1-NZ 2.83Å; E282-K311 WeakPolarHBondContact OE2-CD 3.28Å; E282-K311 WeakPolarHBondContact OE2-CE 3.36Å; E282-K311 IonicContact OE2-NZ 2.64Å; E282-K311 PolarHBondContact OE2-NZ 3.12Å; P309-K311 PolarHBondContact O-N 3.13Å; K311-V327 PolarHBondContact O-N 2.89Å; K311-L338 HydrophobicContact CB-CB 4.3Å; K311-L338 HydrophobicContact CD-CB 4.19Å; K311-L338 HydrophobicContact CD-CD2 3.89Å; K311-L338 HydrophobicContact CG-CB 4.21Å; K311-L387 HydrophobicContact CB-CD2 4.24Å; K311-L387 HydrophobicContact CD-CD2 3.32Å; K311-L387 HydrophobicContact CG-CD2 4.41Å
312	F	98.8	Very high	95	Very high	0 Å²	0	70.2 Å²	70.2	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	149	-176.3	-59.1	-75.6	0	0	0	113.2	E282 V283 L284 I310 V324 Q325 L338 L340 A383 T386 L387	E282-F312 PolarHBondContact O-N 2.74Å; V283-F312 WeakPolarHBondContact CA-O 3.39Å; V283-F312 HydrophobicContact CG1-CB 4.32Å; V283-F312 HydrophobicContact CG2-CB 4.37Å; V283-F312 HydrophobicContact CG2-CD2 4.47Å; L284-F312 PolarHBondContact N-O 2.84Å; I310-F312 WeakPolarHBondContact CG2-O 3.33Å; F312-V324 HydrophobicContact CB-CG2 4.37Å; F312-V324 HydrophobicContact CD1-CG2 3.8Å; F312-V324 HydrophobicContact CG-CG2 4.3Å; F312-Q325 CarbonylContact C-O 3.6Å; F312-Q325 WeakPolarHBondContact CA-O 3.45Å; F312-L338 HydrophobicContact CE2-CD2 3.86Å; F312-L338 HydrophobicContact CE2-CG 4.39Å; F312-L338 HydrophobicContact CZ-CB 4.17Å; F312-L338 HydrophobicContact CZ-CD2 3.87Å; F312-L338 HydrophobicContact CZ-CG 3.93Å; F312-L340 HydrophobicContact CE1-CD2 4.06Å; F312-A383 HydrophobicContact CB-CB 4.07Å; F312-A383 HydrophobicContact CD1-CB 4.47Å; F312-A383 HydrophobicContact CD2-CB 3.85Å; F312-A383 HydrophobicContact CE2-CB 4.46Å; F312-A383 HydrophobicContact CG-CB 3.86Å; F312-T386 HydrophobicContact CE1-CG2 4.35Å; F312-T386 HydrophobicContact CE2-CG2 4.37Å; F312-T386 HydrophobicContact CZ-CG2 3.56Å; F312-L387 HydrophobicContact CD2-CD2 4.19Å; F312-L387 HydrophobicContact CD2-CG 4.21Å; F312-L387 HydrophobicContact CE2-CD2 3.75Å; F312-L387 HydrophobicContact CE2-CG 3.83Å
313	V	98.6	Very high	95.2	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	129.2	171.3	-177.9	0	0	0	0	108.7	L284 F286 W293 Y315 Q325 V327	L284-V313 HydrophobicContact CB-CG2 4.39Å; L284-V313 CarbonylContact O-C 3.51Å; L284-V313 WeakPolarHBondContact O-CA 3.25Å; F286-V313 HydrophobicContact CD2-CG1 3.32Å; F286-V313 HydrophobicContact CE2-CG1 3.23Å; F286-V313 HydrophobicContact CZ-CG1 4.39Å; W293-V313 HydrophobicContact CD2-CG2 4.06Å; W293-V313 HydrophobicContact CE3-CG2 3.99Å; W293-V313 HydrophobicContact CH2-CG2 3.86Å; W293-V313 HydrophobicContact CZ2-CB 4.27Å; W293-V313 HydrophobicContact CZ2-CG2 3.9Å; W293-V313 HydrophobicContact CZ3-CG2 3.9Å; V313-Y315 HydrophobicContact CG1-CD1 4.03Å; V313-Q325 PolarHBondContact N-O 2.87Å; V313-Q325 PolarHBondContact O-N 3.16Å; V313-V327 HydrophobicContact CG2-CG2 3.88Å
314	L	98.8	Very high	95.4	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	135.3	177.1	-50.8	-175.8	0	0	0	110.7	V283 L284 F286 R323 V324 A379 L380	V283-L314 HydrophobicContact CG1-CD1 3.85Å; V283-L314 HydrophobicContact CG1-CD2 4.45Å; V283-L314 HydrophobicContact CG1-CG 3.78Å; L284-L314 PolarHBondContact O-N 2.98Å; F286-L314 PolarHBondContact N-O 2.89Å; L314-R323 VanDerWaalsContact CA-O 3.3Å; L314-R323 WeakPolarHBondContact CA-O 3.46Å; L314-V324 HydrophobicContact CD2-CB 3.67Å; L314-V324 HydrophobicContact CD2-CG2 3.76Å; L314-A379 HydrophobicContact CD2-CB 4.34Å; L314-L380 HydrophobicContact CD1-CB 3.67Å; L314-L380 HydrophobicContact CD1-CD1 3.77Å; L314-L380 HydrophobicContact CD1-CG 4.29Å
315	Y	98.4	Very high	95.6	Very high	35 Å²	35	54.2 Å²	54.2	14%	0.137	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	154.3	175.7	56.2	-90.3	0	0	0	111.8	V313 R323 Q325	V313-Y315 HydrophobicContact CG1-CD1 4.03Å; Y315-R323 HydrophobicContact CD1-CB 4.49Å; Y315-R323 HydrophobicContact CD2-CB 4.09Å; Y315-R323 HydrophobicContact CD2-CG 4.28Å; Y315-R323 HydrophobicContact CE1-CB 4.15Å; Y315-R323 HydrophobicContact CE2-CB 3.71Å; Y315-R323 HydrophobicContact CE2-CG 3.76Å; Y315-R323 HydrophobicContact CG-CB 4.46Å; Y315-R323 PolarHBondContact N-O 3.33Å; Y315-R323 PolarHBondContact O-N 3.32Å; Y315-Q325 HydrophobicContact CE1-CB 3.85Å; Y315-Q325 PolarHBondContact OH-OE1 3.28Å; Y315-Q325 VanDerWaalsContact OH-OE1 3.07Å
316	P	97.8	Very high	95.8	Very high	22 Å²	22	47.4 Å²	47.4	14%	0.143	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	145.8	172.1	32	-34.2	0	0	0	111.3	F286 S287 G289 Q321 W322	F286-P316 WeakPolarHBondContact O-CD 3.09Å; S287-P316 WeakPolarHBondContact O-CG 3.14Å; G289-P316 WeakPolarHBondContact CA-O 3.24Å; G289-P316 PolarHBondContact N-O 2.69Å; P316-Q321 CarbonylContact C-O 3.59Å; P316-Q321 WeakPolarHBondContact CA-O 3.47Å; P316-W322 HydrophobicContact CB-CD2 4.43Å; P316-W322 HydrophobicContact CB-CZ2 4.3Å; P316-W322 HydrophobicContact CG-CH2 4.43Å; P316-W322 HydrophobicContact CG-CZ2 4.49Å
317	D	94.6	Very high	96.2	Very high	33 Å²	33	45.9 Å²	45.9	18%	0.176	25%	0.246	C	C	.	.			trans	-86.8	177.2	166.4	82.9	-3.6	0	0	0	111.4	N319 G320 Q321 R323	D317-N319 PolarHBondContact O-N 3.02Å; D317-N319 VanDerWaalsContact O-N 3.11Å; D317-N319 VanDerWaalsContact OD1-CA 3.31Å; D317-N319 WeakPolarHBondContact OD1-CA 3.43Å; D317-N319 WeakPolarHBondContact OD1-CB 3.37Å; D317-N319 PolarHBondContact OD1-N 3.41Å; D317-G320 PolarHBondContact O-N 3.44Å; D317-G320 VanDerWaalsContact O-N 3.08Å; D317-G320 PolarHBondContact OD1-N 3.34Å; D317-Q321 PolarHBondContact N-O 2.83Å; D317-Q321 WeakPolarHBondContact OD1-CB 3.31Å; D317-Q321 PolarHBondContact OD1-N 2.86Å; D317-R323 HydrophobicContact CB-CG 4.38Å; D317-R323 IonicContact OD2-CZ 3.23Å; D317-R323 VanDerWaalsContact OD2-CZ 3.26Å; D317-R323 IonicContact OD2-NE 2.68Å; D317-R323 IonicContact OD2-NH1 3.25Å; D317-R323 IonicContact OD2-NH2 2.91Å; D317-R323 PolarHBondContact OD2-NH2 3.42Å
318	L	91.9	Very high	96.7	Very high	181 Å²	181	37.3 Å²	37.3	95%	0.948	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-14.8	-178.6	-61.5	177.2	0	0	0	114
319	N	93.3	Very high	97	Very high	127 Å²	127	36.5 Å²	36.5	68%	0.679	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.9	12.8	178.9	-55.6	-57.5	0	0	0	112.1	D317 Q321	D317-N319 PolarHBondContact O-N 3.02Å; D317-N319 VanDerWaalsContact O-N 3.11Å; D317-N319 VanDerWaalsContact OD1-CA 3.31Å; D317-N319 WeakPolarHBondContact OD1-CA 3.43Å; D317-N319 WeakPolarHBondContact OD1-CB 3.37Å; D317-N319 PolarHBondContact OD1-N 3.41Å; N319-Q321 HydrophobicContact CB-CG 4.2Å; N319-Q321 PolarHBondContact O-N 3.19Å; N319-Q321 PolarHBondContact O-NE2 3.04Å; N319-Q321 VanDerWaalsContact O-NE2 3.11Å
320	G	92.4	Very high	96.9	Very high	47 Å²	47	34.8 Å²	34.8	49%	0.485	20%	0.196	S	C	.	.	S	Bend	trans	69.7	10.1	-177.7	0	0	0	0	0	114.2	D317	D317-G320 PolarHBondContact O-N 3.44Å; D317-G320 VanDerWaalsContact O-N 3.08Å; D317-G320 PolarHBondContact OD1-N 3.34Å
321	Q	97	Very high	96.3	Very high	57 Å²	57	38.3 Å²	38.3	27%	0.266	21%	0.214	S	C	.	.			trans	-86.1	153.1	174.2	-49.1	-54.1	-52.8	0	0	109.2	P316 D317 N319 I362 K374	P316-Q321 CarbonylContact C-O 3.59Å; P316-Q321 WeakPolarHBondContact CA-O 3.47Å; D317-Q321 PolarHBondContact N-O 2.83Å; D317-Q321 WeakPolarHBondContact OD1-CB 3.31Å; D317-Q321 PolarHBondContact OD1-N 2.86Å; N319-Q321 HydrophobicContact CB-CG 4.2Å; N319-Q321 PolarHBondContact O-N 3.19Å; N319-Q321 PolarHBondContact O-NE2 3.04Å; N319-Q321 VanDerWaalsContact O-NE2 3.11Å; Q321-I362 HydrophobicContact CB-CD1 3.65Å; Q321-I362 HydrophobicContact CG-CD1 3.82Å; Q321-K374 VanDerWaalsContact OE1-CA 3.25Å
322	W	98.6	Very high	95.7	Very high	36 Å²	36	43.8 Å²	43.8	14%	0.136	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	147.2	-177.6	-73.9	78.5	0	0	0	112	P316 G372 N373 T375 Q376 A379	P316-W322 HydrophobicContact CB-CD2 4.43Å; P316-W322 HydrophobicContact CB-CZ2 4.3Å; P316-W322 HydrophobicContact CG-CH2 4.43Å; P316-W322 HydrophobicContact CG-CZ2 4.49Å; W322-G372 CarbonylContact O-C 3.47Å; W322-G372 WeakPolarHBondContact O-CA 3.36Å; W322-N373 WeakPolarHBondContact CA-O 3.47Å; W322-N373 PolarHBondContact N-O 2.73Å; W322-N373 PolarHBondContact O-N 3.37Å; W322-T375 WeakPolarHBondContact CB-O 3.29Å; W322-Q376 VanDerWaalsContact CD1-N 3.25Å; W322-Q376 VanDerWaalsContact CD2-CA 3.49Å; W322-Q376 HydrophobicContact CD2-CB 3.66Å; W322-Q376 HydrophobicContact CD2-CG 4.05Å; W322-Q376 VanDerWaalsContact CE2-CB 3.49Å; W322-Q376 HydrophobicContact CE3-CB 4Å; W322-Q376 HydrophobicContact CE3-CG 3.84Å; W322-Q376 HydrophobicContact CG-CB 4.18Å; W322-Q376 HydrophobicContact CH2-CB 4.02Å; W322-Q376 HydrophobicContact CH2-CG 3.68Å; W322-Q376 HydrophobicContact CZ2-CB 3.69Å; W322-Q376 HydrophobicContact CZ2-CG 3.9Å; W322-Q376 VanDerWaalsContact CZ2-OE1 3.31Å; W322-Q376 HydrophobicContact CZ3-CB 4.17Å; W322-Q376 HydrophobicContact CZ3-CG 3.66Å; W322-A379 HydrophobicContact CB-CB 3.77Å
323	R	98.6	Very high	95.3	Very high	37 Å²	37	46.8 Å²	46.8	14%	0.14	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	139.6	175.1	-61.5	-66.5	171.1	-110	6.9	109.1	L314 Y315 D317 I370 G371	L314-R323 VanDerWaalsContact CA-O 3.3Å; L314-R323 WeakPolarHBondContact CA-O 3.46Å; Y315-R323 HydrophobicContact CD1-CB 4.49Å; Y315-R323 HydrophobicContact CD2-CB 4.09Å; Y315-R323 HydrophobicContact CD2-CG 4.28Å; Y315-R323 HydrophobicContact CE1-CB 4.15Å; Y315-R323 HydrophobicContact CE2-CB 3.71Å; Y315-R323 HydrophobicContact CE2-CG 3.76Å; Y315-R323 HydrophobicContact CG-CB 4.46Å; Y315-R323 PolarHBondContact N-O 3.33Å; Y315-R323 PolarHBondContact O-N 3.32Å; D317-R323 HydrophobicContact CB-CG 4.38Å; D317-R323 IonicContact OD2-CZ 3.23Å; D317-R323 VanDerWaalsContact OD2-CZ 3.26Å; D317-R323 IonicContact OD2-NE 2.68Å; D317-R323 IonicContact OD2-NH1 3.25Å; D317-R323 IonicContact OD2-NH2 2.91Å; D317-R323 PolarHBondContact OD2-NH2 3.42Å; R323-I370 HydrophobicContact CB-CD1 4.47Å; R323-G371 WeakPolarHBondContact CA-O 3.4Å
324	V	98.7	Very high	94.8	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	108.9	162.5	51.5	0	0	0	0	106.6	F312 L314 L340 I370 G371 A379 M382 A383	F312-V324 HydrophobicContact CB-CG2 4.37Å; F312-V324 HydrophobicContact CD1-CG2 3.8Å; F312-V324 HydrophobicContact CG-CG2 4.3Å; L314-V324 HydrophobicContact CD2-CB 3.67Å; L314-V324 HydrophobicContact CD2-CG2 3.76Å; V324-L340 HydrophobicContact CG1-CD1 4.25Å; V324-L340 HydrophobicContact CG1-CD2 4.39Å; V324-L340 HydrophobicContact CG2-CD2 4.31Å; V324-I370 CarbonylContact O-C 3.59Å; V324-I370 WeakPolarHBondContact O-CA 3.43Å; V324-G371 PolarHBondContact N-O 3.42Å; V324-G371 PolarHBondContact O-N 3.27Å; V324-A379 HydrophobicContact CB-CB 4.49Å; V324-M382 HydrophobicContact CG1-CB 4.08Å; V324-M382 HydrophobicContact CG1-CE 4.32Å; V324-M382 HydrophobicContact CG1-SD 4.17Å; V324-A383 HydrophobicContact CG2-CB 4Å
325	Q	98.5	Very high	94.6	Very high	29 Å²	29	63.5 Å²	63.5	14%	0.136	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	133	-179.5	-172.4	170.7	30.4	0	0	109.8	W293 F312 V313 Y315 I370	W293-Q325 HydrophobicContact CZ2-CG 4.35Å; F312-Q325 CarbonylContact C-O 3.6Å; F312-Q325 WeakPolarHBondContact CA-O 3.45Å; V313-Q325 PolarHBondContact N-O 2.87Å; V313-Q325 PolarHBondContact O-N 3.16Å; Y315-Q325 HydrophobicContact CE1-CB 3.85Å; Y315-Q325 PolarHBondContact OH-OE1 3.28Å; Y315-Q325 VanDerWaalsContact OH-OE1 3.07Å; Q325-I370 HydrophobicContact CB-CD1 4.37Å; Q325-I370 HydrophobicContact CB-CG1 4.27Å; Q325-I370 HydrophobicContact CG-CD1 4.4Å; Q325-I370 HydrophobicContact CG-CG1 4.49Å
326	C	98.4	Very high	94.5	Very high	3 Å²	3	63 Å²	63	2%	0.02	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	141.7	175.4	-52.9	0	0	0	0	109.8	N336 L338 G368 F369	C326-N336 HydrophobicContact CB-CB 3.79Å; C326-L338 PolarHBondContact SG-O 3Å; C326-L338 VanDerWaalsContact SG-O 3.33Å; C326-G368 PolarHBondContact SG-O 3.41Å; C326-F369 WeakPolarHBondContact CB-O 3.27Å; C326-F369 PolarHBondContact N-O 3.2Å; C326-F369 PolarHBondContact SG-O 3.26Å; C326-F369 VanDerWaalsContact SG-O 3.39Å
327	V	98.1	Very high	94.5	Very high	0 Å²	0	65 Å²	65	0%	0	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-76.5	128.7	170.8	-178.5	0	0	0	0	108.7	W293 L297 F298 I310 K311 V313 R337	W293-V327 HydrophobicContact CH2-CB 4.46Å; W293-V327 HydrophobicContact CH2-CG2 4.03Å; W293-V327 HydrophobicContact CZ3-CG1 4.19Å; W293-V327 HydrophobicContact CZ3-CG2 3.99Å; L297-V327 HydrophobicContact CD2-CG1 4Å; L297-V327 HydrophobicContact CD2-CG2 3.97Å; F298-V327 HydrophobicContact CE2-CG1 4.13Å; I310-V327 HydrophobicContact CB-CG2 4.35Å; I310-V327 HydrophobicContact CG2-CG2 3.79Å; I310-V327 WeakPolarHBondContact O-CB 3.38Å; K311-V327 PolarHBondContact O-N 2.89Å; V313-V327 HydrophobicContact CG2-CG2 3.88Å; V327-R337 VanDerWaalsContact CG1-CZ 3.49Å; V327-R337 PolarHBondContact O-N 2.83Å
328	P	97.3	Very high	94.6	Very high	9 Å²	9	64.6 Å²	64.6	6%	0.058	34%	0.342	C	S	.	.	B	Isolated β-bridge	trans	-65.9	158.8	177.5	30.2	-36.1	0	0	0	110.9	F298 G330 Q335 R337	F298-P328 HydrophobicContact CE2-CG 4.12Å; F298-P328 HydrophobicContact CZ-CG 4.27Å; F298-P328 VanDerWaalsContact CZ-O 3.26Å; F298-P328 WeakPolarHBondContact CZ-O 3.22Å; P328-G330 VanDerWaalsContact C-N 3.3Å; P328-G330 WeakPolarHBondContact CB-O 3.46Å; P328-Q335 CarbonylContact C-O 3.54Å; P328-Q335 WeakPolarHBondContact CA-O 3.17Å; P328-R337 WeakPolarHBondContact O-CG 3.32Å; P328-R337 PolarHBondContact O-NE 3.04Å
329	A	95.1	Very high	94.9	Very high	48 Å²	48	58.1 Å²	58.1	40%	0.397	31%	0.31	S	S	.	.	S	Bend	trans	-68.9	-32.1	176.4	0	0	0	0	0	111.6	Q335	A329-Q335 HydrophobicContact CB-CB 4.29Å; A329-Q335 HydrophobicContact CB-CG 4.28Å; A329-Q335 PolarHBondContact N-O 3.4Å
330	G	93.6	Very high	95.2	Very high	17 Å²	17	52 Å²	52	18%	0.175	28%	0.278	C	S	.	.	S	Bend	trans	-144.2	163.1	171.3	0	0	0	0	0	112	P328 N332 T333	P328-G330 VanDerWaalsContact C-N 3.3Å; P328-G330 WeakPolarHBondContact CB-O 3.46Å; G330-N332 PolarHBondContact O-N 3.49Å; G330-N332 VanDerWaalsContact O-N 3.1Å; G330-T333 PolarHBondContact N-OG1 3.49Å; G330-T333 PolarHBondContact O-N 3.42Å; G330-T333 PolarHBondContact O-OG1 3.24Å; G330-T333 VanDerWaalsContact O-OG1 3.05Å
331	L	86.6	Confident	95.4	Very high	75 Å²	75	50.7 Å²	50.7	39%	0.393	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-32.6	-173.5	-73.7	169.6	0	0	0	114.3	K294 E295 F298	K294-L331 HydrophobicContact CB-CD2 4.05Å; E295-L331 HydrophobicContact CB-CD2 4.39Å; E295-L331 HydrophobicContact CG-CD1 4.15Å; E295-L331 HydrophobicContact CG-CD2 3.92Å; F298-L331 HydrophobicContact CB-CD1 4.42Å; F298-L331 HydrophobicContact CB-CD2 4.13Å; F298-L331 HydrophobicContact CB-CG 4.29Å; F298-L331 HydrophobicContact CD1-CG 4.32Å; F298-L331 HydrophobicContact CD2-CD2 3.54Å; F298-L331 HydrophobicContact CD2-CG 4.09Å; F298-L331 HydrophobicContact CE2-CD2 4Å; F298-L331 HydrophobicContact CE2-CG 4.44Å; F298-L331 HydrophobicContact CG-CD2 3.86Å; F298-L331 HydrophobicContact CG-CG 3.98Å
332	N	85.3	Confident	95.4	Very high	164 Å²	164	55.4 Å²	55.4	88%	0.877	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119	30	-177.3	-62.9	-36.9	0	0	0	112.8	G330	G330-N332 PolarHBondContact O-N 3.49Å; G330-N332 VanDerWaalsContact O-N 3.1Å
333	T	89.3	Confident	95.4	Very high	63 Å²	63	59.8 Å²	59.8	39%	0.387	31%	0.305	S	S	.	.			trans	-112.8	144.5	-179.4	72.4	0	0	0	0	111.7	G330 Q335	G330-T333 PolarHBondContact N-OG1 3.49Å; G330-T333 PolarHBondContact O-N 3.42Å; G330-T333 PolarHBondContact O-OG1 3.24Å; G330-T333 VanDerWaalsContact O-OG1 3.05Å; T333-Q335 VanDerWaalsContact C-N 3.32Å; T333-Q335 PolarHBondContact OG1-O 2.87Å
334	F	88.6	Confident	95.4	Very high	206 Å²	206	58.4 Å²	58.4	90%	0.904	30%	0.3	S	S	*	.	S	Bend	trans	-82	-12.1	170.2	-65.5	-74.7	0	0	0	113.4
335	Q	94.9	Very high	95.4	Very high	145 Å²	145	62.1 Å²	62.1	68%	0.678	31%	0.314	S	S	*	.			trans	-74.5	134	176.1	-173.4	173.7	6.2	0	0	109.6	P328 A329 T333	P328-Q335 CarbonylContact C-O 3.54Å; P328-Q335 WeakPolarHBondContact CA-O 3.17Å; A329-Q335 HydrophobicContact CB-CB 4.29Å; A329-Q335 HydrophobicContact CB-CG 4.28Å; A329-Q335 PolarHBondContact N-O 3.4Å; T333-Q335 VanDerWaalsContact C-N 3.32Å; T333-Q335 PolarHBondContact OG1-O 2.87Å
336	N	96.3	Very high	95.4	Very high	25 Å²	25	63 Å²	63	13%	0.134	33%	0.33	C	S	.	.	B	Isolated β-bridge	trans	-95.9	151.8	175.7	-59.3	-63.4	0	0	0	110.9	C326 L338 P339 F369	C326-N336 HydrophobicContact CB-CB 3.79Å; N336-L338 VanDerWaalsContact C-N 3.28Å; N336-L338 PolarHBondContact O-N 2.93Å; N336-P339 HydrophobicContact CB-CB 4.41Å; N336-F369 WeakPolarHBondContact ND2-CA 3.05Å; N336-F369 WeakPolarHBondContact ND2-CB 3.28Å
337	R	96.8	Very high	95.3	Very high	62 Å²	62	64.7 Å²	64.7	23%	0.234	34%	0.34	C	S	.	.	S	Bend	trans	-59.1	-43.5	170.3	-67.3	176.1	-174.1	-175.7	-6.7	111	E301 I310 V327 P328	E301-R337 VanDerWaalsContact CD-NH1 3.26Å; E301-R337 IonicContact OE1-CZ 3.38Å; E301-R337 IonicContact OE1-NH1 2.72Å; E301-R337 PolarHBondContact OE1-NH1 3.3Å; E301-R337 IonicContact OE1-NH2 3.21Å; E301-R337 IonicContact OE2-CZ 3.31Å; E301-R337 VanDerWaalsContact OE2-CZ 3.23Å; E301-R337 IonicContact OE2-NH1 2.91Å; E301-R337 PolarHBondContact OE2-NH1 2.73Å; E301-R337 IonicContact OE2-NH2 3.1Å; E301-R337 PolarHBondContact OE2-NH2 3Å; I310-R337 WeakPolarHBondContact O-CD 3.46Å; I310-R337 PolarHBondContact O-NH1 2.95Å; V327-R337 VanDerWaalsContact CG1-CZ 3.49Å; V327-R337 PolarHBondContact O-N 2.83Å; P328-R337 WeakPolarHBondContact O-CG 3.32Å; P328-R337 PolarHBondContact O-NE 3.04Å
338	L	97.8	Very high	95.4	Very high	26 Å²	26	71.3 Å²	71.3	14%	0.136	37%	0.366	C	S	.	.	S	Bend	trans	-147.4	105	172.6	-177.7	58.4	0	0	0	109.7	K311 F312 C326 N336 T386 L387 A390	K311-L338 HydrophobicContact CB-CB 4.3Å; K311-L338 HydrophobicContact CD-CB 4.19Å; K311-L338 HydrophobicContact CD-CD2 3.89Å; K311-L338 HydrophobicContact CG-CB 4.21Å; F312-L338 HydrophobicContact CE2-CD2 3.86Å; F312-L338 HydrophobicContact CE2-CG 4.39Å; F312-L338 HydrophobicContact CZ-CB 4.17Å; F312-L338 HydrophobicContact CZ-CD2 3.87Å; F312-L338 HydrophobicContact CZ-CG 3.93Å; C326-L338 PolarHBondContact SG-O 3Å; C326-L338 VanDerWaalsContact SG-O 3.33Å; N336-L338 VanDerWaalsContact C-N 3.28Å; N336-L338 PolarHBondContact O-N 2.93Å; L338-T386 HydrophobicContact CD1-CG2 4.43Å; L338-T386 HydrophobicContact CD2-CG2 3.99Å; L338-T386 HydrophobicContact CG-CG2 3.89Å; L338-L387 HydrophobicContact CD2-CD2 3.92Å; L338-A390 HydrophobicContact CD1-CB 3.77Å; L338-A390 HydrophobicContact CD2-CB 3.89Å
339	P	98.1	Very high	95.4	Very high	44 Å²	44	75 Å²	75	29%	0.286	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-72.7	154.9	174.8	31.2	-35.1	0	0	0	111.3	N336 T386	N336-P339 HydrophobicContact CB-CB 4.41Å; P339-T386 WeakPolarHBondContact O-CG2 3.36Å
340	L	98.4	Very high	95.5	Very high	0 Å²	0	78.4 Å²	78.4	0%	0	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-59.5	153	172	-65.2	169.4	0	0	0	111.4	F312 V324 E342 R345 V364 G368 T386	F312-L340 HydrophobicContact CE1-CD2 4.06Å; V324-L340 HydrophobicContact CG1-CD1 4.25Å; V324-L340 HydrophobicContact CG1-CD2 4.39Å; V324-L340 HydrophobicContact CG2-CD2 4.31Å; L340-E342 PolarHBondContact O-N 3.06Å; L340-R345 PolarHBondContact O-NE 2.95Å; L340-R345 PolarHBondContact O-NH2 2.94Å; L340-V364 HydrophobicContact CB-CG1 3.92Å; L340-V364 HydrophobicContact CD1-CB 4.48Å; L340-V364 HydrophobicContact CD1-CG1 3.73Å; L340-V364 HydrophobicContact CD1-CG2 4.02Å; L340-V364 HydrophobicContact CG-CG1 4.49Å; L340-G368 WeakPolarHBondContact CB-O 3.26Å; L340-G368 WeakPolarHBondContact CG-O 3.47Å; L340-G368 PolarHBondContact N-O 2.84Å; L340-T386 WeakPolarHBondContact CD2-OG1 3.48Å
341	P	98.2	Very high	95.8	Very high	19 Å²	19	80.2 Å²	80.2	12%	0.123	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-51.3	137.6	-175.1	-29.1	36.4	0	0	0	112.5	E343 W344 R345 T386	P341-E343 VanDerWaalsContact C-N 3.27Å; P341-E343 HydrophobicContact CB-CG 4.09Å; P341-E343 PolarHBondContact O-N 3.37Å; P341-W344 HydrophobicContact CB-CD2 4Å; P341-W344 HydrophobicContact CB-CE3 4.42Å; P341-W344 HydrophobicContact CB-CG 4.13Å; P341-W344 VanDerWaalsContact CD-CE3 3.49Å; P341-W344 HydrophobicContact CG-CD2 3.84Å; P341-W344 HydrophobicContact CG-CE3 3.86Å; P341-W344 HydrophobicContact CG-CG 4.47Å; P341-W344 HydrophobicContact CG-CH2 4.11Å; P341-W344 HydrophobicContact CG-CZ2 4.07Å; P341-W344 HydrophobicContact CG-CZ3 3.98Å; P341-W344 PolarHBondContact O-N 2.87Å; P341-R345 WeakPolarHBondContact O-CG 3.38Å; P341-T386 VanDerWaalsContact CD-OG1 3.32Å; P341-T386 WeakPolarHBondContact CD-OG1 3.28Å; P341-T386 HydrophobicContact CG-CG2 4.36Å
342	E	97.4	Very high	96.3	Very high	155 Å²	155	76.6 Å²	76.6	72%	0.724	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-58.3	-41	-176.7	-173.7	170.8	-177.5	0	0	112.2	L340 W344 R345	L340-E342 PolarHBondContact O-N 3.06Å; E342-W344 PolarHBondContact O-N 3.41Å; E342-W344 VanDerWaalsContact O-N 3.15Å; E342-R345 WeakPolarHBondContact O-CB 3.28Å; E342-R345 PolarHBondContact O-N 3.35Å
343	E	97.7	Very high	97	Very high	129 Å²	129	69.2 Å²	69.2	60%	0.603	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-57.9	-27.4	177	68.3	-144.2	-152.4	0	0	113.6	P341 L355	P341-E343 VanDerWaalsContact C-N 3.27Å; P341-E343 HydrophobicContact CB-CG 4.09Å; P341-E343 PolarHBondContact O-N 3.37Å; E343-L355 WeakPolarHBondContact O-CD2 3.4Å
344	W	98.4	Very high	97.4	Very high	7 Å²	7	73.2 Å²	73.2	3%	0.027	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-83.8	-21.5	179.2	-60.4	-5.5	0	0	0	112.9	P341 E342 G346 V347 L352 I358 V364 M382 R385	P341-W344 HydrophobicContact CB-CD2 4Å; P341-W344 HydrophobicContact CB-CE3 4.42Å; P341-W344 HydrophobicContact CB-CG 4.13Å; P341-W344 VanDerWaalsContact CD-CE3 3.49Å; P341-W344 HydrophobicContact CG-CD2 3.84Å; P341-W344 HydrophobicContact CG-CE3 3.86Å; P341-W344 HydrophobicContact CG-CG 4.47Å; P341-W344 HydrophobicContact CG-CH2 4.11Å; P341-W344 HydrophobicContact CG-CZ2 4.07Å; P341-W344 HydrophobicContact CG-CZ3 3.98Å; P341-W344 PolarHBondContact O-N 2.87Å; E342-W344 PolarHBondContact O-N 3.41Å; E342-W344 VanDerWaalsContact O-N 3.15Å; W344-G346 PolarHBondContact O-N 2.96Å; W344-V347 WeakPolarHBondContact O-CB 3.34Å; W344-V347 WeakPolarHBondContact O-CG2 3.39Å; W344-V347 PolarHBondContact O-N 2.63Å; W344-L352 HydrophobicContact CB-CD1 3.67Å; W344-L352 HydrophobicContact CD2-CD1 4.4Å; W344-L352 HydrophobicContact CG-CD1 3.79Å; W344-I358 HydrophobicContact CH2-CD1 3.82Å; W344-I358 HydrophobicContact CZ2-CD1 4.28Å; W344-V364 HydrophobicContact CB-CB 4.18Å; W344-V364 HydrophobicContact CB-CG1 4.43Å; W344-V364 HydrophobicContact CB-CG2 3.86Å; W344-V364 HydrophobicContact CE3-CG2 4.33Å; W344-V364 WeakPolarHBondContact O-CB 3.38Å; W344-M382 HydrophobicContact CE3-CE 3.99Å; W344-M382 HydrophobicContact CH2-CB 4.44Å; W344-M382 HydrophobicContact CZ3-CB 3.91Å; W344-M382 HydrophobicContact CZ3-CE 4.12Å; W344-M382 HydrophobicContact CZ3-CG 4.08Å; W344-R385 HydrophobicContact CH2-CB 3.7Å; W344-R385 HydrophobicContact CH2-CG 4.45Å; W344-R385 HydrophobicContact CZ2-CB 4.16Å
345	R	98.1	Very high	97.9	Very high	78 Å²	78	67.7 Å²	67.7	29%	0.294	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	126.2	-167.2	-64	179.9	-167.2	165.2	6.8	111.5	L340 P341 E342 V347 V364 A366	L340-R345 PolarHBondContact O-NE 2.95Å; L340-R345 PolarHBondContact O-NH2 2.94Å; P341-R345 WeakPolarHBondContact O-CG 3.38Å; E342-R345 WeakPolarHBondContact O-CB 3.28Å; E342-R345 PolarHBondContact O-N 3.35Å; R345-V347 PolarHBondContact O-N 3.26Å; R345-V364 HydrophobicContact CG-CG1 4.16Å; R345-A366 WeakPolarHBondContact CB-O 3.47Å; R345-A366 WeakPolarHBondContact CD-O 3.28Å
346	G	98.2	Very high	98	Very high	47 Å²	47	61.3 Å²	61.3	49%	0.485	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.8	-6.9	-177.8	0	0	0	0	0	114.4	W344 V364	W344-G346 PolarHBondContact O-N 2.96Å; G346-V364 WeakPolarHBondContact CA-O 3.46Å; G346-V364 PolarHBondContact N-O 3.34Å
347	V	98.1	Very high	98	Very high	39 Å²	39	63 Å²	63	24%	0.236	34%	0.336	C	S	.	.			trans	-83.5	148.4	175.4	-165.1	0	0	0	0	109.6	W344 R345 A351 L352 L355 F363 V364	W344-V347 WeakPolarHBondContact O-CB 3.34Å; W344-V347 WeakPolarHBondContact O-CG2 3.39Å; W344-V347 PolarHBondContact O-N 2.63Å; R345-V347 PolarHBondContact O-N 3.26Å; V347-A351 HydrophobicContact CG1-CB 4Å; V347-L352 HydrophobicContact CB-CB 4.22Å; V347-L352 HydrophobicContact CB-CD1 4.28Å; V347-L352 HydrophobicContact CG1-CB 3.88Å; V347-L355 HydrophobicContact CG1-CD2 4.43Å; V347-L355 HydrophobicContact CG2-CD2 4.08Å; V347-F363 WeakPolarHBondContact O-CA 3.48Å; V347-V364 PolarHBondContact O-N 3.48Å; V347-V364 VanDerWaalsContact O-N 3.17Å
348	R	98.4	Very high	98.1	Very high	140 Å²	140	60.4 Å²	60.4	53%	0.528	33%	0.327	S	S	.	.	B	Isolated β-bridge	trans	-136	158.6	-172.3	-55.3	-175.8	69.7	103.9	1.4	112.4	A351 L352 I362 F363	R348-A351 PolarHBondContact O-N 3.49Å; R348-L352 PolarHBondContact O-N 3.31Å; R348-L352 VanDerWaalsContact O-N 3.16Å; R348-I362 WeakPolarHBondContact CA-O 3.38Å; R348-I362 WeakPolarHBondContact CB-O 3.5Å; R348-F363 HydrophobicContact CG-CB 4.05Å
349	D	98.3	Very high	98.1	Very high	85 Å²	85	68.1 Å²	68.1	46%	0.455	36%	0.359	S	S	.	.	H	α-helix	trans	50.1	-132.5	166.6	-55.6	-59.3	0	0	0	113.7	A351 L352 S353 C361 I362	D349-A351 VanDerWaalsContact C-N 3.33Å; D349-A351 PolarHBondContact O-N 2.83Å; D349-L352 PolarHBondContact O-N 3.44Å; D349-S353 PolarHBondContact O-N 2.84Å; D349-S353 PolarHBondContact O-OG 2.96Å; D349-S353 VanDerWaalsContact O-OG 3.13Å; D349-C361 CarbonylContact C-O 3.57Å; D349-C361 WeakPolarHBondContact CA-O 3.39Å; D349-I362 PolarHBondContact N-O 3.19Å
350	E	98.1	Very high	98.1	Very high	121 Å²	121	66.9 Å²	66.9	57%	0.565	35%	0.354	S	S	*	.	H	α-helix	trans	-64.4	-36.9	-175.5	-162.3	60.9	-147	0	0	112.2	L352 S353 E354	E350-L352 PolarHBondContact O-N 2.82Å; E350-S353 CarbonylContact O-C 3.52Å; E350-S353 WeakPolarHBondContact O-CA 3.34Å; E350-S353 WeakPolarHBondContact O-CB 3.34Å; E350-S353 PolarHBondContact O-N 3.26Å; E350-E354 HydrophobicContact CG-CG 4.41Å; E350-E354 WeakPolarHBondContact O-CG 3.45Å; E350-E354 PolarHBondContact O-N 2.9Å
351	A	98.4	Very high	98.2	Very high	54 Å²	54	67 Å²	67	45%	0.446	35%	0.354	S	S	.	.	H	α-helix	trans	-60.2	-37.3	176.8	0	0	0	0	0	111.8	V347 R348 D349 L355	V347-A351 HydrophobicContact CG1-CB 4Å; R348-A351 PolarHBondContact O-N 3.49Å; D349-A351 VanDerWaalsContact C-N 3.33Å; D349-A351 PolarHBondContact O-N 2.83Å; A351-L355 WeakPolarHBondContact O-CB 3.42Å; A351-L355 PolarHBondContact O-N 3.11Å
352	L	98.6	Very high	98.2	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-72	-35.6	173.6	177.7	58.4	0	0	0	111.5	W344 V347 R348 D349 E350 L355 S356 C361 F363 V364 M382	W344-L352 HydrophobicContact CB-CD1 3.67Å; W344-L352 HydrophobicContact CD2-CD1 4.4Å; W344-L352 HydrophobicContact CG-CD1 3.79Å; V347-L352 HydrophobicContact CB-CB 4.22Å; V347-L352 HydrophobicContact CB-CD1 4.28Å; V347-L352 HydrophobicContact CG1-CB 3.88Å; R348-L352 PolarHBondContact O-N 3.31Å; R348-L352 VanDerWaalsContact O-N 3.16Å; D349-L352 PolarHBondContact O-N 3.44Å; E350-L352 PolarHBondContact O-N 2.82Å; L352-L355 PolarHBondContact O-N 3.46Å; L352-S356 VanDerWaalsContact O-CB 3.28Å; L352-S356 WeakPolarHBondContact O-CB 3.33Å; L352-S356 PolarHBondContact O-N 3.08Å; L352-S356 PolarHBondContact O-OG 2.94Å; L352-C361 HydrophobicContact CB-CB 3.95Å; L352-C361 HydrophobicContact CD2-CB 3.62Å; L352-C361 HydrophobicContact CG-CB 3.53Å; L352-F363 VanDerWaalsContact CD2-C 3.47Å; L352-V364 HydrophobicContact CD1-CG2 4.44Å; L352-V364 HydrophobicContact CD2-CG2 3.89Å; L352-M382 HydrophobicContact CD2-CE 4.44Å
353	S	98.6	Very high	98.2	Very high	8 Å²	8	61.3 Å²	61.3	6%	0.056	33%	0.327	C	S	.	.	H	α-helix	trans	-65.9	-42.5	178	-56.9	0	0	0	0	111.8	D349 E350 G357 I358 G360 C361	D349-S353 PolarHBondContact O-N 2.84Å; D349-S353 PolarHBondContact O-OG 2.96Å; D349-S353 VanDerWaalsContact O-OG 3.13Å; E350-S353 CarbonylContact O-C 3.52Å; E350-S353 WeakPolarHBondContact O-CA 3.34Å; E350-S353 WeakPolarHBondContact O-CB 3.34Å; E350-S353 PolarHBondContact O-N 3.26Å; S353-G357 CarbonylContact O-C 3.59Å; S353-G357 VanDerWaalsContact O-CA 3.31Å; S353-G357 WeakPolarHBondContact O-CA 3.44Å; S353-G357 PolarHBondContact O-N 3.06Å; S353-I358 WeakPolarHBondContact CA-O 3.36Å; S353-I358 VanDerWaalsContact CB-O 3.3Å; S353-I358 WeakPolarHBondContact CB-O 3.25Å; S353-I358 PolarHBondContact O-N 3.03Å; S353-I358 PolarHBondContact OG-O 3.29Å; S353-G360 PolarHBondContact OG-N 3.17Å; S353-C361 WeakPolarHBondContact OG-CB 3.35Å; S353-C361 PolarHBondContact OG-N 3.03Å
354	E	98.3	Very high	98.3	Very high	148 Å²	148	55.3 Å²	55.3	69%	0.692	30%	0.299	S	S	*	.	H	α-helix	trans	-64.5	-47.5	174	-70.8	175.5	178.3	0	0	111.3	E350 G357	E350-E354 HydrophobicContact CG-CG 4.41Å; E350-E354 WeakPolarHBondContact O-CG 3.45Å; E350-E354 PolarHBondContact O-N 2.9Å; E354-G357 PolarHBondContact O-N 3.38Å
355	L	97.8	Very high	98.3	Very high	90 Å²	90	59 Å²	59	47%	0.471	32%	0.316	S	S	.	.	H	α-helix	trans	-64.7	-46.5	-178.2	179.7	64.7	0	0	0	112.9	E343 V347 A351 L352	E343-L355 WeakPolarHBondContact O-CD2 3.4Å; V347-L355 HydrophobicContact CG1-CD2 4.43Å; V347-L355 HydrophobicContact CG2-CD2 4.08Å; A351-L355 WeakPolarHBondContact O-CB 3.42Å; A351-L355 PolarHBondContact O-N 3.11Å; L352-L355 PolarHBondContact O-N 3.46Å
356	S	97.2	Very high	98.2	Very high	11 Å²	11	58.6 Å²	58.6	8%	0.077	33%	0.33	C	S	.	.	H	α-helix	trans	-81	-18.9	-178.2	64.1	0	0	0	0	113.1	L352 I358	L352-S356 VanDerWaalsContact O-CB 3.28Å; L352-S356 WeakPolarHBondContact O-CB 3.33Å; L352-S356 PolarHBondContact O-N 3.08Å; L352-S356 PolarHBondContact O-OG 2.94Å; S356-I358 PolarHBondContact O-N 3.37Å; S356-I358 WeakPolarHBondContact OG-CB 3.37Å; S356-I358 PolarHBondContact OG-N 3.36Å; S356-I358 VanDerWaalsContact OG-N 3.12Å
357	G	97.9	Very high	98.1	Very high	59 Å²	59	58.3 Å²	58.3	61%	0.608	33%	0.327	S	S	*	.	S	Bend	trans	69.4	10.4	-167.2	0	0	0	0	0	113.8	S353 E354	S353-G357 CarbonylContact O-C 3.59Å; S353-G357 VanDerWaalsContact O-CA 3.31Å; S353-G357 WeakPolarHBondContact O-CA 3.44Å; S353-G357 PolarHBondContact O-N 3.06Å; E354-G357 PolarHBondContact O-N 3.38Å
358	I	98.4	Very high	98.1	Very high	9 Å²	9	56.5 Å²	56.5	5%	0.046	32%	0.315	C	S	.	.			trans	-103.8	117.8	-179.4	-54.4	171.2	0	0	0	108.6	W344 S353 S356 C361 E381 M382 R385	W344-I358 HydrophobicContact CH2-CD1 3.82Å; W344-I358 HydrophobicContact CZ2-CD1 4.28Å; S353-I358 WeakPolarHBondContact CA-O 3.36Å; S353-I358 VanDerWaalsContact CB-O 3.3Å; S353-I358 WeakPolarHBondContact CB-O 3.25Å; S353-I358 PolarHBondContact O-N 3.03Å; S353-I358 PolarHBondContact OG-O 3.29Å; S356-I358 PolarHBondContact O-N 3.37Å; S356-I358 WeakPolarHBondContact OG-CB 3.37Å; S356-I358 PolarHBondContact OG-N 3.36Å; S356-I358 VanDerWaalsContact OG-N 3.12Å; I358-C361 PolarHBondContact O-SG 3.05Å; I358-E381 HydrophobicContact CD1-CB 4.35Å; I358-E381 HydrophobicContact CD1-CG 3.89Å; I358-E381 HydrophobicContact CG1-CG 3.86Å; I358-E381 HydrophobicContact CG2-CB 4.33Å; I358-E381 HydrophobicContact CG2-CG 4.36Å; I358-M382 HydrophobicContact CD1-CB 4.19Å; I358-M382 HydrophobicContact CD1-CG 3.53Å; I358-M382 HydrophobicContact CG2-CG 4.37Å; I358-R385 HydrophobicContact CD1-CG 4.17Å
359	K	98.4	Very high	98.1	Very high	188 Å²	188	53.6 Å²	53.6	82%	0.817	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	147	-178.9	-66.1	-175.8	179.4	-179.8	0	111.8	C361 N373	K359-C361 VanDerWaalsContact C-N 3.32Å; K359-C361 PolarHBondContact O-N 2.78Å; K359-N373 PolarHBondContact O-ND2 3.18Å
360	G	98.2	Very high	98.1	Very high	17 Å²	17	50.5 Å²	50.5	18%	0.175	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.1	22.4	169.9	0	0	0	0	0	114.1	S353 N373 K374	S353-G360 PolarHBondContact OG-N 3.17Å; G360-N373 CarbonylContact O-C 3.58Å; G360-N373 WeakPolarHBondContact O-CA 3.48Å; G360-N373 PolarHBondContact O-ND2 2.88Å; G360-N373 PolarHBondContact O-OD1 3.41Å; G360-K374 WeakPolarHBondContact O-CG 3.44Å; G360-K374 PolarHBondContact O-N 3.16Å
361	C	98.6	Very high	98.1	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.014	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	147	170	-73.1	0	0	0	0	110.9	D349 L352 S353 I358 K359 N373	D349-C361 CarbonylContact C-O 3.57Å; D349-C361 WeakPolarHBondContact CA-O 3.39Å; L352-C361 HydrophobicContact CB-CB 3.95Å; L352-C361 HydrophobicContact CD2-CB 3.62Å; L352-C361 HydrophobicContact CG-CB 3.53Å; S353-C361 WeakPolarHBondContact OG-CB 3.35Å; S353-C361 PolarHBondContact OG-N 3.03Å; I358-C361 PolarHBondContact O-SG 3.05Å; K359-C361 VanDerWaalsContact C-N 3.32Å; K359-C361 PolarHBondContact O-N 2.78Å; C361-N373 PolarHBondContact N-ND2 2.96Å
362	I	98.3	Very high	98.1	Very high	25 Å²	25	42.2 Å²	42.2	13%	0.128	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	-50.9	-179.7	-55.9	172.8	0	0	0	109.4	Q321 R348 D349 G372 K374	Q321-I362 HydrophobicContact CB-CD1 3.65Å; Q321-I362 HydrophobicContact CG-CD1 3.82Å; R348-I362 WeakPolarHBondContact CA-O 3.38Å; R348-I362 WeakPolarHBondContact CB-O 3.5Å; D349-I362 PolarHBondContact N-O 3.19Å; I362-G372 PolarHBondContact N-O 3.5Å; I362-K374 HydrophobicContact CD1-CG 4.31Å; I362-K374 HydrophobicContact CG1-CG 4.22Å
363	F	98.4	Very high	98.1	Very high	31 Å²	31	42.2 Å²	42.2	14%	0.136	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.1	163.6	176.5	73.6	-76.4	0	0	0	111.8	V347 R348 L352 H365 I370 G371 G372	V347-F363 WeakPolarHBondContact O-CA 3.48Å; R348-F363 HydrophobicContact CG-CB 4.05Å; L352-F363 VanDerWaalsContact CD2-C 3.47Å; F363-H365 HydrophobicContact CE2-CB 4.47Å; F363-I370 HydrophobicContact CE2-CG2 4.08Å; F363-I370 HydrophobicContact CZ-CG2 4.43Å; F363-G371 CarbonylContact O-C 3.6Å; F363-G371 WeakPolarHBondContact O-CA 3.37Å; F363-G372 PolarHBondContact O-N 3.47Å
364	V	98.7	Very high	98.1	Very high	2 Å²	2	47.7 Å²	47.7	1%	0.012	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	132.9	154	174.5	0	0	0	0	108.3	L340 W344 R345 G346 V347 L352 M382	L340-V364 HydrophobicContact CB-CG1 3.92Å; L340-V364 HydrophobicContact CD1-CB 4.48Å; L340-V364 HydrophobicContact CD1-CG1 3.73Å; L340-V364 HydrophobicContact CD1-CG2 4.02Å; L340-V364 HydrophobicContact CG-CG1 4.49Å; W344-V364 HydrophobicContact CB-CB 4.18Å; W344-V364 HydrophobicContact CB-CG1 4.43Å; W344-V364 HydrophobicContact CB-CG2 3.86Å; W344-V364 HydrophobicContact CE3-CG2 4.33Å; W344-V364 WeakPolarHBondContact O-CB 3.38Å; R345-V364 HydrophobicContact CG-CG1 4.16Å; G346-V364 WeakPolarHBondContact CA-O 3.46Å; G346-V364 PolarHBondContact N-O 3.34Å; V347-V364 PolarHBondContact O-N 3.48Å; V347-V364 VanDerWaalsContact O-N 3.17Å; L352-V364 HydrophobicContact CD1-CG2 4.44Å; L352-V364 HydrophobicContact CD2-CG2 3.89Å; V364-M382 HydrophobicContact CG2-CE 3.51Å
365	H	98.3	Very high	98.1	Very high	84 Å²	84	43.5 Å²	43.5	39%	0.389	25%	0.25	S	C	.	.			trans	-61.3	146.4	176.9	-172.7	-85.9	0	0	0	110.5	F363 G367 G368 F369 I370	F363-H365 HydrophobicContact CE2-CB 4.47Å; H365-G367 PolarHBondContact ND1-N 3.38Å; H365-G367 PolarHBondContact O-N 3.09Å; H365-G367 VanDerWaalsContact O-N 3.13Å; H365-G368 WeakPolarHBondContact O-CA 3.42Å; H365-G368 PolarHBondContact O-N 2.61Å; H365-F369 HydrophobicContact CB-CD1 4.42Å; H365-F369 HydrophobicContact CB-CE1 4.14Å; H365-F369 HydrophobicContact CB-CZ 4.27Å; H365-F369 AromaticContact CD2-CE1 3.87Å; H365-F369 AromaticContact CD2-CZ 3.84Å; H365-F369 AromaticContact CE1-CE1 3.34Å; H365-F369 WeakPolarHBondContact CE1-CE1 3.32Å; H365-F369 AromaticContact CG-CE1 3.42Å; H365-F369 VanDerWaalsContact CG-CE1 3.42Å; H365-F369 AromaticContact CG-CZ 3.69Å; H365-F369 AromaticContact ND1-CD1 3.58Å; H365-F369 AromaticContact ND1-CE1 3.04Å; H365-F369 WeakPolarHBondContact ND1-CE1 3.36Å; H365-F369 AromaticContact ND1-CZ 3.78Å; H365-F369 AromaticContact NE2-CE1 3.83Å; H365-I370 HydrophobicContact CB-CG2 3.82Å; H365-I370 PolarHBondContact N-O 3.18Å
366	A	97.7	Very high	98.1	Very high	71 Å²	71	42.2 Å²	42.2	59%	0.587	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-32.4	-178.3	0	0	0	0	0	113.6	R345 G368	R345-A366 WeakPolarHBondContact CB-O 3.47Å; R345-A366 WeakPolarHBondContact CD-O 3.28Å; A366-G368 VanDerWaalsContact C-N 3.29Å; A366-G368 PolarHBondContact O-N 2.99Å
367	G	96.5	Very high	98.2	Very high	41 Å²	41	47.7 Å²	47.7	42%	0.423	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-0.4	172.9	0	0	0	0	0	115.6	H365 F369	H365-G367 PolarHBondContact ND1-N 3.38Å; H365-G367 PolarHBondContact O-N 3.09Å; H365-G367 VanDerWaalsContact O-N 3.13Å; G367-F369 PolarHBondContact O-N 3.49Å; G367-F369 VanDerWaalsContact O-N 3.14Å
368	G	97.6	Very high	98.2	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.24	C	C	.	.	S	Bend	trans	69.9	4.1	176.6	0	0	0	0	0	116.5	C326 L340 H365 A366	C326-G368 PolarHBondContact SG-O 3.41Å; L340-G368 WeakPolarHBondContact CB-O 3.26Å; L340-G368 WeakPolarHBondContact CG-O 3.47Å; L340-G368 PolarHBondContact N-O 2.84Å; H365-G368 WeakPolarHBondContact O-CA 3.42Å; H365-G368 PolarHBondContact O-N 2.61Å; A366-G368 VanDerWaalsContact C-N 3.29Å; A366-G368 PolarHBondContact O-N 2.99Å
369	F	97.9	Very high	98.2	Very high	79 Å²	79	44.8 Å²	44.8	35%	0.346	24%	0.237	S	C	.	.	S	Bend	trans	-80.7	-17.2	-174.2	68.8	-101.3	0	0	0	114.6	C326 N336 H365 G367	C326-F369 WeakPolarHBondContact CB-O 3.27Å; C326-F369 PolarHBondContact N-O 3.2Å; C326-F369 PolarHBondContact SG-O 3.26Å; C326-F369 VanDerWaalsContact SG-O 3.39Å; N336-F369 WeakPolarHBondContact ND2-CA 3.05Å; N336-F369 WeakPolarHBondContact ND2-CB 3.28Å; H365-F369 HydrophobicContact CB-CD1 4.42Å; H365-F369 HydrophobicContact CB-CE1 4.14Å; H365-F369 HydrophobicContact CB-CZ 4.27Å; H365-F369 AromaticContact CD2-CE1 3.87Å; H365-F369 AromaticContact CD2-CZ 3.84Å; H365-F369 AromaticContact CE1-CE1 3.34Å; H365-F369 WeakPolarHBondContact CE1-CE1 3.32Å; H365-F369 AromaticContact CG-CE1 3.42Å; H365-F369 VanDerWaalsContact CG-CE1 3.42Å; H365-F369 AromaticContact CG-CZ 3.69Å; H365-F369 AromaticContact ND1-CD1 3.58Å; H365-F369 AromaticContact ND1-CE1 3.04Å; H365-F369 WeakPolarHBondContact ND1-CE1 3.36Å; H365-F369 AromaticContact ND1-CZ 3.78Å; H365-F369 AromaticContact NE2-CE1 3.83Å; G367-F369 PolarHBondContact O-N 3.49Å; G367-F369 VanDerWaalsContact O-N 3.14Å
370	I	98.4	Very high	98.3	Very high	21 Å²	21	36.6 Å²	36.6	11%	0.108	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	143.5	179.7	-165.9	168.3	0	0	0	110.8	R323 V324 Q325 F363 H365	R323-I370 HydrophobicContact CB-CD1 4.47Å; V324-I370 CarbonylContact O-C 3.59Å; V324-I370 WeakPolarHBondContact O-CA 3.43Å; Q325-I370 HydrophobicContact CB-CD1 4.37Å; Q325-I370 HydrophobicContact CB-CG1 4.27Å; Q325-I370 HydrophobicContact CG-CD1 4.4Å; Q325-I370 HydrophobicContact CG-CG1 4.49Å; F363-I370 HydrophobicContact CE2-CG2 4.08Å; F363-I370 HydrophobicContact CZ-CG2 4.43Å; H365-I370 HydrophobicContact CB-CG2 3.82Å; H365-I370 PolarHBondContact N-O 3.18Å
371	G	98.5	Very high	98.3	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	169.8	170.8	0	0	0	0	0	111.7	R323 V324 F363	R323-G371 WeakPolarHBondContact CA-O 3.4Å; V324-G371 PolarHBondContact N-O 3.42Å; V324-G371 PolarHBondContact O-N 3.27Å; F363-G371 CarbonylContact O-C 3.6Å; F363-G371 WeakPolarHBondContact O-CA 3.37Å
372	G	98.4	Very high	98.3	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	143.2	179.2	0	0	0	0	0	113.2	W322 I362 F363	W322-G372 CarbonylContact O-C 3.47Å; W322-G372 WeakPolarHBondContact O-CA 3.36Å; I362-G372 PolarHBondContact N-O 3.5Å; F363-G372 PolarHBondContact O-N 3.47Å
373	N	98.8	Very high	98.3	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	156.8	173.6	-166.3	-73.6	0	0	0	109.7	W322 K359 G360 C361 T375 A379 M382	W322-N373 WeakPolarHBondContact CA-O 3.47Å; W322-N373 PolarHBondContact N-O 2.73Å; W322-N373 PolarHBondContact O-N 3.37Å; K359-N373 PolarHBondContact O-ND2 3.18Å; G360-N373 CarbonylContact O-C 3.58Å; G360-N373 WeakPolarHBondContact O-CA 3.48Å; G360-N373 PolarHBondContact O-ND2 2.88Å; G360-N373 PolarHBondContact O-OD1 3.41Å; C361-N373 PolarHBondContact N-ND2 2.96Å; N373-T375 PolarHBondContact O-N 3.12Å; N373-T375 PolarHBondContact OD1-N 3.43Å; N373-T375 PolarHBondContact OD1-O 3.17Å; N373-T375 PolarHBondContact OD1-OG1 3.33Å; N373-A379 HydrophobicContact CB-CB 4.16Å; N373-M382 HydrophobicContact CB-SD 4.22Å
374	K	98.4	Very high	98.3	Very high	124 Å²	124	39.3 Å²	39.3	54%	0.539	21%	0.207	S	C	.	.	S	Bend	trans	-68.3	-20.6	175.5	-66.1	175.3	-177.3	174.4	0	113.8	Q321 G360 I362	Q321-K374 VanDerWaalsContact OE1-CA 3.25Å; G360-K374 WeakPolarHBondContact O-CG 3.44Å; G360-K374 PolarHBondContact O-N 3.16Å; I362-K374 HydrophobicContact CD1-CG 4.31Å; I362-K374 HydrophobicContact CG1-CG 4.22Å
375	T	98.3	Very high	98.3	Very high	60 Å²	60	44.8 Å²	44.8	37%	0.368	23%	0.228	S	C	.	.	S	Bend	trans	-129.2	154.1	-173	62.5	0	0	0	0	111.5	W322 N373 E377 G378 A379	W322-T375 WeakPolarHBondContact CB-O 3.29Å; N373-T375 PolarHBondContact O-N 3.12Å; N373-T375 PolarHBondContact OD1-N 3.43Å; N373-T375 PolarHBondContact OD1-O 3.17Å; N373-T375 PolarHBondContact OD1-OG1 3.33Å; T375-E377 VanDerWaalsContact C-N 3.3Å; T375-G378 PolarHBondContact O-N 2.82Å; T375-G378 PolarHBondContact OG1-N 3.31Å; T375-A379 PolarHBondContact O-N 3Å; T375-A379 VanDerWaalsContact O-N 3.11Å
376	Q	98.3	Very high	98.3	Very high	62 Å²	62	41 Å²	41	29%	0.29	21%	0.21	S	C	.	.	H	α-helix	trans	-61.5	-44.1	174.1	-175.3	-176.2	-61.3	0	0	110.4	L285 W322 G378 A379 L380	L285-Q376 VanDerWaalsContact CD1-CD 3.5Å; L285-Q376 HydrophobicContact CD1-CG 3.93Å; L285-Q376 VanDerWaalsContact CD1-NE2 3.31Å; W322-Q376 VanDerWaalsContact CD1-N 3.25Å; W322-Q376 VanDerWaalsContact CD2-CA 3.49Å; W322-Q376 HydrophobicContact CD2-CB 3.66Å; W322-Q376 HydrophobicContact CD2-CG 4.05Å; W322-Q376 VanDerWaalsContact CE2-CB 3.49Å; W322-Q376 HydrophobicContact CE3-CB 4Å; W322-Q376 HydrophobicContact CE3-CG 3.84Å; W322-Q376 HydrophobicContact CG-CB 4.18Å; W322-Q376 HydrophobicContact CH2-CB 4.02Å; W322-Q376 HydrophobicContact CH2-CG 3.68Å; W322-Q376 HydrophobicContact CZ2-CB 3.69Å; W322-Q376 HydrophobicContact CZ2-CG 3.9Å; W322-Q376 VanDerWaalsContact CZ2-OE1 3.31Å; W322-Q376 HydrophobicContact CZ3-CB 4.17Å; W322-Q376 HydrophobicContact CZ3-CG 3.66Å; Q376-G378 VanDerWaalsContact C-N 3.34Å; Q376-G378 PolarHBondContact O-N 3.05Å; Q376-A379 PolarHBondContact O-N 3.36Å; Q376-L380 WeakPolarHBondContact O-CB 3.41Å; Q376-L380 PolarHBondContact O-N 2.97Å
377	E	98.4	Very high	98.3	Very high	127 Å²	127	38.4 Å²	38.4	59%	0.593	19%	0.187	S	C	*	.	H	α-helix	trans	-63.2	-42.4	-177.8	-62.8	69.7	-151.8	0	0	110.7	T375 L380 E381	T375-E377 VanDerWaalsContact C-N 3.3Å; E377-L380 PolarHBondContact O-N 3.38Å; E377-E381 WeakPolarHBondContact O-CB 3.35Å; E377-E381 PolarHBondContact O-N 2.85Å
378	G	98.6	Very high	98.2	Very high	6 Å²	6	41.5 Å²	41.5	6%	0.062	19%	0.19	C	C	.	.	H	α-helix	trans	-66.8	-38.5	175.7	0	0	0	0	0	112.8	T375 Q376 E381 M382	T375-G378 PolarHBondContact O-N 2.82Å; T375-G378 PolarHBondContact OG1-N 3.31Å; Q376-G378 VanDerWaalsContact C-N 3.34Å; Q376-G378 PolarHBondContact O-N 3.05Å; G378-E381 PolarHBondContact O-N 3.26Å; G378-M382 VanDerWaalsContact O-CG 3.32Å; G378-M382 WeakPolarHBondContact O-CG 3.37Å; G378-M382 PolarHBondContact O-N 3.4Å
379	A	98.7	Very high	98	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-66.4	-38.4	174.3	0	0	0	0	0	112.2	L314 W322 V324 N373 T375 Q376 M382 A383	L314-A379 HydrophobicContact CD2-CB 4.34Å; W322-A379 HydrophobicContact CB-CB 3.77Å; V324-A379 HydrophobicContact CB-CB 4.49Å; N373-A379 HydrophobicContact CB-CB 4.16Å; T375-A379 PolarHBondContact O-N 3Å; T375-A379 VanDerWaalsContact O-N 3.11Å; Q376-A379 PolarHBondContact O-N 3.36Å; A379-M382 WeakPolarHBondContact O-CB 3.4Å; A379-M382 PolarHBondContact O-N 3.18Å; A379-A383 PolarHBondContact O-N 3.15Å
380	L	98.8	Very high	97.8	Very high	16 Å²	16	43.3 Å²	43.3	8%	0.084	22%	0.22	C	C	.	.	H	α-helix	trans	-65.4	-41.4	173.4	179.5	59.1	0	0	0	111.7	V277 D278 V283 L314 Q376 E377 M382 A383 R384	V277-L380 HydrophobicContact CG1-CD1 4.29Å; D278-L380 HydrophobicContact CB-CD1 4.33Å; V283-L380 HydrophobicContact CG1-CD1 4.08Å; L314-L380 HydrophobicContact CD1-CB 3.67Å; L314-L380 HydrophobicContact CD1-CD1 3.77Å; L314-L380 HydrophobicContact CD1-CG 4.29Å; Q376-L380 WeakPolarHBondContact O-CB 3.41Å; Q376-L380 PolarHBondContact O-N 2.97Å; E377-L380 PolarHBondContact O-N 3.38Å; L380-M382 VanDerWaalsContact C-N 3.31Å; L380-M382 PolarHBondContact O-N 2.93Å; L380-A383 WeakPolarHBondContact O-CB 3.4Å; L380-A383 PolarHBondContact O-N 2.77Å; L380-A383 VanDerWaalsContact O-N 3.17Å; L380-R384 WeakPolarHBondContact O-CG 3.3Å; L380-R384 PolarHBondContact O-N 2.79Å
381	E	98.7	Very high	97.2	Very high	56 Å²	56	46.4 Å²	46.4	26%	0.262	25%	0.248	S	C	.	.	H	α-helix	trans	-63.4	-37.8	175.8	-176.4	59.2	-163.2	0	0	111.7	I358 E377 G378 A383 R384 R385	I358-E381 HydrophobicContact CD1-CB 4.35Å; I358-E381 HydrophobicContact CD1-CG 3.89Å; I358-E381 HydrophobicContact CG1-CG 3.86Å; I358-E381 HydrophobicContact CG2-CB 4.33Å; I358-E381 HydrophobicContact CG2-CG 4.36Å; E377-E381 WeakPolarHBondContact O-CB 3.35Å; E377-E381 PolarHBondContact O-N 2.85Å; G378-E381 PolarHBondContact O-N 3.26Å; E381-A383 VanDerWaalsContact C-N 3.33Å; E381-A383 PolarHBondContact O-N 2.94Å; E381-R384 PolarHBondContact O-N 2.93Å; E381-R385 HydrophobicContact CG-CG 4.36Å; E381-R385 WeakPolarHBondContact O-CB 3.4Å; E381-R385 VanDerWaalsContact O-CG 3.31Å; E381-R385 WeakPolarHBondContact O-CG 3.46Å; E381-R385 PolarHBondContact O-N 3.23Å; E381-R385 WeakPolarHBondContact OE1-CG 3.06Å; E381-R385 IonicContact OE1-CZ 3.87Å; E381-R385 IonicContact OE1-NE 2.94Å; E381-R385 PolarHBondContact OE1-NE 3.49Å; E381-R385 IonicContact OE1-NH2 3.92Å
382	M	98.8	Very high	96.1	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-59.1	-44.7	172.5	-70.9	178.2	79.3	0	0	111.5	V324 W344 L352 I358 V364 N373 G378 A379 L380 T386	V324-M382 HydrophobicContact CG1-CB 4.08Å; V324-M382 HydrophobicContact CG1-CE 4.32Å; V324-M382 HydrophobicContact CG1-SD 4.17Å; W344-M382 HydrophobicContact CE3-CE 3.99Å; W344-M382 HydrophobicContact CH2-CB 4.44Å; W344-M382 HydrophobicContact CZ3-CB 3.91Å; W344-M382 HydrophobicContact CZ3-CE 4.12Å; W344-M382 HydrophobicContact CZ3-CG 4.08Å; L352-M382 HydrophobicContact CD2-CE 4.44Å; I358-M382 HydrophobicContact CD1-CB 4.19Å; I358-M382 HydrophobicContact CD1-CG 3.53Å; I358-M382 HydrophobicContact CG2-CG 4.37Å; V364-M382 HydrophobicContact CG2-CE 3.51Å; N373-M382 HydrophobicContact CB-SD 4.22Å; G378-M382 VanDerWaalsContact O-CG 3.32Å; G378-M382 WeakPolarHBondContact O-CG 3.37Å; G378-M382 PolarHBondContact O-N 3.4Å; A379-M382 WeakPolarHBondContact O-CB 3.4Å; A379-M382 PolarHBondContact O-N 3.18Å; L380-M382 VanDerWaalsContact C-N 3.31Å; L380-M382 PolarHBondContact O-N 2.93Å; M382-T386 PolarHBondContact O-N 2.81Å; M382-T386 PolarHBondContact O-OG1 2.74Å
383	A	98.7	Very high	93.9	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-62.3	-47.5	175.4	0	0	0	0	0	111.5	V283 F312 V324 A379 L380 E381 R385 T386 L387	V283-A383 HydrophobicContact CG2-CB 4.32Å; F312-A383 HydrophobicContact CB-CB 4.07Å; F312-A383 HydrophobicContact CD1-CB 4.47Å; F312-A383 HydrophobicContact CD2-CB 3.85Å; F312-A383 HydrophobicContact CE2-CB 4.46Å; F312-A383 HydrophobicContact CG-CB 3.86Å; V324-A383 HydrophobicContact CG2-CB 4Å; A379-A383 PolarHBondContact O-N 3.15Å; L380-A383 WeakPolarHBondContact O-CB 3.4Å; L380-A383 PolarHBondContact O-N 2.77Å; L380-A383 VanDerWaalsContact O-N 3.17Å; E381-A383 VanDerWaalsContact C-N 3.33Å; E381-A383 PolarHBondContact O-N 2.94Å; A383-R385 PolarHBondContact O-N 3.17Å; A383-T386 WeakPolarHBondContact O-CB 3.17Å; A383-T386 PolarHBondContact O-N 2.83Å; A383-T386 VanDerWaalsContact O-N 3.14Å; A383-L387 WeakPolarHBondContact O-CG 3.11Å; A383-L387 PolarHBondContact O-N 2.85Å
384	R	98.4	Very high	91.7	Very high	77 Å²	77	64.4 Å²	64.4	29%	0.291	35%	0.352	S	S	.	.	H	α-helix	trans	-58.4	-48.1	179.5	-76.3	175.7	168.2	151.9	7.6	113.1	V277 D278 L380 E381 T386 L387 Q388	V277-R384 PolarHBondContact O-NH2 3.26Å; D278-R384 IonicContact OD2-CZ 2.86Å; D278-R384 VanDerWaalsContact OD2-CZ 3.25Å; D278-R384 IonicContact OD2-NE 2.66Å; D278-R384 PolarHBondContact OD2-NE 3.38Å; D278-R384 IonicContact OD2-NH2 2.91Å; D278-R384 PolarHBondContact OD2-NH2 3.28Å; L380-R384 WeakPolarHBondContact O-CG 3.3Å; L380-R384 PolarHBondContact O-N 2.79Å; E381-R384 PolarHBondContact O-N 2.93Å; R384-T386 PolarHBondContact O-N 3.2Å; R384-L387 WeakPolarHBondContact O-CB 3.34Å; R384-L387 PolarHBondContact O-N 3.49Å; R384-Q388 WeakPolarHBondContact O-CB 3.18Å; R384-Q388 VanDerWaalsContact O-CG 3.28Å; R384-Q388 WeakPolarHBondContact O-CG 3.11Å; R384-Q388 PolarHBondContact O-N 2.7Å
385	R	98.1	Very high	89.5	Confident	117 Å²	117	63 Å²	63	44%	0.442	36%	0.364	S	S	.	.	H	α-helix	trans	-60.4	-37.1	176.9	-73.4	-67.9	-174.5	142.8	6.9	111.8	W344 I358 E381 A383 Q388 A389	W344-R385 HydrophobicContact CH2-CB 3.7Å; W344-R385 HydrophobicContact CH2-CG 4.45Å; W344-R385 HydrophobicContact CZ2-CB 4.16Å; I358-R385 HydrophobicContact CD1-CG 4.17Å; E381-R385 HydrophobicContact CG-CG 4.36Å; E381-R385 WeakPolarHBondContact O-CB 3.4Å; E381-R385 VanDerWaalsContact O-CG 3.31Å; E381-R385 WeakPolarHBondContact O-CG 3.46Å; E381-R385 PolarHBondContact O-N 3.23Å; E381-R385 WeakPolarHBondContact OE1-CG 3.06Å; E381-R385 IonicContact OE1-CZ 3.87Å; E381-R385 IonicContact OE1-NE 2.94Å; E381-R385 PolarHBondContact OE1-NE 3.49Å; E381-R385 IonicContact OE1-NH2 3.92Å; A383-R385 PolarHBondContact O-N 3.17Å; R385-Q388 PolarHBondContact O-N 3.12Å; R385-A389 WeakPolarHBondContact O-CB 3.37Å; R385-A389 PolarHBondContact O-N 3Å
386	T	98.2	Very high	87.1	Confident	4 Å²	4	68.6 Å²	68.6	3%	0.025	39%	0.392	C	S	.	.	H	α-helix	trans	-66.6	-44.8	175.4	-48.3	0	0	0	0	111.6	F312 L338 P339 L340 P341 M382 A383 R384 Q388 A389 A390	F312-T386 HydrophobicContact CE1-CG2 4.35Å; F312-T386 HydrophobicContact CE2-CG2 4.37Å; F312-T386 HydrophobicContact CZ-CG2 3.56Å; L338-T386 HydrophobicContact CD1-CG2 4.43Å; L338-T386 HydrophobicContact CD2-CG2 3.99Å; L338-T386 HydrophobicContact CG-CG2 3.89Å; P339-T386 WeakPolarHBondContact O-CG2 3.36Å; L340-T386 WeakPolarHBondContact CD2-OG1 3.48Å; P341-T386 VanDerWaalsContact CD-OG1 3.32Å; P341-T386 WeakPolarHBondContact CD-OG1 3.28Å; P341-T386 HydrophobicContact CG-CG2 4.36Å; M382-T386 PolarHBondContact O-N 2.81Å; M382-T386 PolarHBondContact O-OG1 2.74Å; A383-T386 WeakPolarHBondContact O-CB 3.17Å; A383-T386 PolarHBondContact O-N 2.83Å; A383-T386 VanDerWaalsContact O-N 3.14Å; R384-T386 PolarHBondContact O-N 3.2Å; T386-Q388 PolarHBondContact O-N 2.76Å; T386-A389 PolarHBondContact O-N 2.98Å; T386-A390 PolarHBondContact O-N 2.97Å; T386-A390 VanDerWaalsContact O-N 3.12Å
387	L	97.5	Very high	84.7	Confident	17 Å²	17	68.9 Å²	68.9	9%	0.089	41%	0.412	C	S	.	.	H	α-helix	trans	-60.2	-44.4	175.1	-67.9	171.1	0	0	0	111.8	E282 V283 K311 F312 L338 A383 R384 A390 A391	E282-L387 HydrophobicContact CB-CD2 4.33Å; V283-L387 HydrophobicContact CG2-CD1 3.98Å; K311-L387 HydrophobicContact CB-CD2 4.24Å; K311-L387 HydrophobicContact CD-CD2 3.32Å; K311-L387 HydrophobicContact CG-CD2 4.41Å; F312-L387 HydrophobicContact CD2-CD2 4.19Å; F312-L387 HydrophobicContact CD2-CG 4.21Å; F312-L387 HydrophobicContact CE2-CD2 3.75Å; F312-L387 HydrophobicContact CE2-CG 3.83Å; L338-L387 HydrophobicContact CD2-CD2 3.92Å; A383-L387 WeakPolarHBondContact O-CG 3.11Å; A383-L387 PolarHBondContact O-N 2.85Å; R384-L387 WeakPolarHBondContact O-CB 3.34Å; R384-L387 PolarHBondContact O-N 3.49Å; L387-A390 PolarHBondContact O-N 3.11Å; L387-A391 PolarHBondContact O-N 2.9Å; L387-A391 VanDerWaalsContact O-N 3.11Å
388	Q	95.9	Very high	81.9	Confident	105 Å²	105	68.9 Å²	68.9	49%	0.491	43%	0.426	S	S	.	.	H	α-helix	trans	-63.7	-45.6	179	-72.7	169.4	4.5	0	0	112	R384 R385 T386 A390 A391 Q392	R384-Q388 WeakPolarHBondContact O-CB 3.18Å; R384-Q388 VanDerWaalsContact O-CG 3.28Å; R384-Q388 WeakPolarHBondContact O-CG 3.11Å; R384-Q388 PolarHBondContact O-N 2.7Å; R385-Q388 PolarHBondContact O-N 3.12Å; T386-Q388 PolarHBondContact O-N 2.76Å; Q388-A390 VanDerWaalsContact C-N 3.27Å; Q388-A390 PolarHBondContact O-N 2.82Å; Q388-A391 PolarHBondContact O-N 2.9Å; Q388-Q392 PolarHBondContact O-N 3.06Å
389	A	93.4	Very high	79	Confident	62 Å²	62	77.9 Å²	77.9	51%	0.512	49%	0.487	S	S	.	.	H	α-helix	trans	-61.2	-36.5	177.3	0	0	0	0	0	112	R385 T386 Q392	R385-A389 WeakPolarHBondContact O-CB 3.37Å; R385-A389 PolarHBondContact O-N 3Å; T386-A389 PolarHBondContact O-N 2.98Å; A389-Q392 PolarHBondContact O-N 3.28Å
390	A	91.8	Very high	78	Confident	56 Å²	56	81.8 Å²	81.8	46%	0.463	51%	0.512	S	S	.	.	H	α-helix	trans	-72.4	-26.5	176.8	0	0	0	0	0	113.8	L338 T386 L387 Q388	L338-A390 HydrophobicContact CD1-CB 3.77Å; L338-A390 HydrophobicContact CD2-CB 3.89Å; T386-A390 PolarHBondContact O-N 2.97Å; T386-A390 VanDerWaalsContact O-N 3.12Å; L387-A390 PolarHBondContact O-N 3.11Å; Q388-A390 VanDerWaalsContact C-N 3.27Å; Q388-A390 PolarHBondContact O-N 2.82Å
391	A	86.5	Confident	76.9	Confident	85 Å²	85	85.2 Å²	85.2	70%	0.702	53%	0.534	S	S	*	.	H	α-helix	trans	-80.4	-18.4	177.8	0	0	0	0	0	113.1	L387 Q388	L387-A391 PolarHBondContact O-N 2.9Å; L387-A391 VanDerWaalsContact O-N 3.11Å; Q388-A391 PolarHBondContact O-N 2.9Å
392	Q	74.8	Confident	75.7	Confident	146 Å²	146	86.8 Å²	86.8	68%	0.682	55%	0.549	S	S	*	.	S	Bend	trans	-81.1	132.6	174	-66.5	-165.5	-1.1	0	0	110	Q388 A389	Q388-Q392 PolarHBondContact O-N 3.06Å; A389-Q392 PolarHBondContact O-N 3.28Å
393	P	52.9	Low	74.3	Confident	111 Å²	111	91.9 Å²	91.9	72%	0.721	58%	0.582	S	S	*	*	P	Polyproline II helix	trans	-58.4	145.2	171.3	24.4	-31.1	0	0	0	109	A395	P393-A395 PolarHBondContact O-N 2.94Å
394	P	52.9	Low	72.8	Confident	121 Å²	121	97.7 Å²	97.7	79%	0.786	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-53	123.1	177.2	20.8	-30.5	0	0	0	108.3	N396	P394-N396 PolarHBondContact O-N 3.16Å
395	A	50.9	Low	71.1	Confident	95 Å²	95	99.1 Å²	99.1	79%	0.785	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-54.4	120.5	175.1	0	0	0	0	0	107.4	P393 G397	P393-A395 PolarHBondContact O-N 2.94Å; A395-G397 PolarHBondContact O-N 3.22Å
396	N	48.9	Very low	69.2	Low	177 Å²	177	97.8 Å²	97.8	95%	0.947	65%	0.654	S	S	*	*	S	Bend	trans	-39.8	116.2	-179.6	-77.1	-31.4	0	0	0	111.6	P394	P394-N396 PolarHBondContact O-N 3.16Å
397	G	48.2	Very low	66.9	Low	69 Å²	69	105 Å²	105	71%	0.711	70%	0.703	S	S	*	*			trans	127.4	86.9	161	0	0	0	0	0	116	A395	A395-G397 PolarHBondContact O-N 3.22Å
398	S	38.7	Very low	64.4	Low	127 Å²	127	112.3 Å²	112.3	89%	0.888	75%	0.754	S	S	*	*			trans	-164.5	89.6	131.1	4.3	0	0	0	0	107.9
399	S	37.8	Very low	61.5	Low	194 Å²	194	113 Å²	113	100%	1.357	78%	0.778	S	S	*	*			trans	-65.5	0	161.3	47.1	0	0	0	0	111.9

Retrieved 399 of 399 residues in 641.6 ms (Link to these results)

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