A0A096NE17_PAPAN Loading...

Protein kinase AMP-activated non-catalytic subunit gamma 2

AlphaFold DB (A0A1D5R5V9), UniProt , Accession A0A096NE17, Species PAPAN (Papio anubis, Olive baboon), Gene PRKAG2, Length 568 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	35.8	Very low	34.1	Very low	253 Å²	253	153.6 Å²	153.6	100%	1.246	85%	0.847	S	S	*	*				0	142	0	-69.3	170.9	172.4	0	0	107.7
2	G	33	Very low	33.8	Very low	74 Å²	74	154.6 Å²	154.6	76%	0.763	84%	0.836	S	S	*	*			trans	-115.4	171.5	170.2	0	0	0	0	0	110.5
3	S	33.8	Very low	33.5	Very low	133 Å²	133	151.5 Å²	151.5	93%	0.93	82%	0.818	S	S	*	*			trans	-162.7	140.4	151	-104.2	0	0	0	0	109
4	A	38.1	Very low	33.4	Very low	99 Å²	99	149.4 Å²	149.4	82%	0.818	81%	0.813	S	S	*	*			trans	-121.5	156.9	172.7	0	0	0	0	0	109.2
5	V	34.7	Very low	33.2	Very low	128 Å²	128	147.1 Å²	147.1	78%	0.776	81%	0.812	S	S	*	*			trans	-168.6	119.1	163.1	137.2	0	0	0	0	103.8
6	M	34.6	Very low	33	Very low	174 Å²	174	145.2 Å²	145.2	86%	0.857	81%	0.813	S	S	*	*				66.3	145.5	68.4	-70.8	-171.6	174.3	0	0	114
7	D	35	Very low	33.6	Very low	134 Å²	134	144.2 Å²	144.2	72%	0.717	81%	0.814	S	S	*	*			cis	-171	174.2	-21.9	-177.8	25.4	0	0	0	108.6
8	T	33.9	Very low	33.3	Very low	103 Å²	103	140.9 Å²	140.9	63%	0.632	82%	0.818	S	S	*	*			trans	105.3	140.7	147.2	77.2	0	0	0	0	122.9
9	K	33.3	Very low	33.1	Very low	193 Å²	193	137.6 Å²	137.6	84%	0.839	82%	0.817	S	S	*	*			trans	87.3	57.2	137.1	-84.6	170.4	179.8	173.5	0	124.3
10	K	31.9	Very low	33	Very low	205 Å²	205	137.5 Å²	137.5	89%	0.891	82%	0.823	S	S	*	*				8.9	116.9	116.1	-176.2	-177.7	-173.4	174.5	0	120.3
11	K	31.3	Very low	32.8	Very low	194 Å²	194	134.3 Å²	134.3	84%	0.843	82%	0.819	S	S	*	*			trans	-170.7	132.2	131.5	-100.7	-174.2	176.5	-177.3	0	108.5
12	K	30.6	Very low	32.7	Very low	165 Å²	165	126.4 Å²	126.4	72%	0.717	80%	0.802	S	S	*	*				57.4	133.1	87.5	-96.1	-175.1	151.2	-78.8	0	113.5
13	D	28.8	Very low	32.6	Very low	114 Å²	114	132.6 Å²	132.6	61%	0.61	81%	0.808	S	S	*	*			cis	-149.4	161.8	23.6	-110.5	-50.3	0	0	0	116.5
14	V	32.1	Very low	32.5	Very low	122 Å²	122	136.3 Å²	136.3	74%	0.739	81%	0.808	S	S	*	*			trans	12.3	125.5	158.4	-178.1	0	0	0	0	121.5
15	S	30.4	Very low	32	Very low	115 Å²	115	139.2 Å²	139.2	80%	0.804	81%	0.809	S	S	*	*				-179.4	160.1	118.6	44.1	0	0	0	0	113.3
16	S	31.3	Very low	31.9	Very low	117 Å²	117	137.9 Å²	137.9	82%	0.818	81%	0.812	S	S	*	*			trans	-127.7	149.6	168.9	-58.1	0	0	0	0	108.8
17	P	42.2	Very low	31.6	Very low	129 Å²	129	134.9 Å²	134.9	84%	0.838	81%	0.808	S	S	*	*				-135.9	172.4	103.9	37.2	-26.4	0	0	0	113.4
18	G	29.1	Very low	31.6	Very low	85 Å²	85	137.6 Å²	137.6	88%	0.876	82%	0.816	S	S	*	*			trans	-76.5	158.7	-166.7	0	0	0	0	0	116.3
19	G	28	Very low	31.5	Very low	78 Å²	78	142 Å²	142	80%	0.804	83%	0.827	S	S	*	*			trans	-147	134.3	167.8	0	0	0	0	0	109.9
20	S	32.3	Very low	31.5	Very low	134 Å²	134	144.6 Å²	144.6	94%	0.937	83%	0.831	S	S	*	*			trans	-82.4	132.3	-176	44.4	0	0	0	0	112
21	G	28.7	Very low	31.5	Very low	71 Å²	71	146.2 Å²	146.2	73%	0.732	83%	0.832	S	S	*	*			trans	-158.9	93.6	179.3	0	0	0	0	0	112
22	G	32.5	Very low	31.5	Very low	88 Å²	88	142 Å²	142	91%	0.907	83%	0.827	S	S	*	*			trans	-70.1	130.1	-176.6	0	0	0	0	0	113
23	K	31.3	Very low	31.6	Very low	203 Å²	203	141.5 Å²	141.5	88%	0.883	83%	0.831	S	S	*	*			trans	-108	137	166.7	-75.3	-175.9	176	178.4	0	110.1	N25	K23-N25 PolarHBondContact O-N 2.72Å
24	K	31.5	Very low	31.7	Very low	212 Å²	212	147.5 Å²	147.5	92%	0.922	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-76.8	118.2	179.3	-63.2	173.4	-179.6	175.4	0	109.2
25	N	28.6	Very low	32.1	Very low	159 Å²	159	144.6 Å²	144.6	85%	0.85	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-70.4	129.8	167.3	-80.1	-5.1	0	0	0	109.7	K23 S27	K23-N25 PolarHBondContact O-N 2.72Å; N25-S27 PolarHBondContact O-N 3.33Å
26	A	32	Very low	32.3	Very low	100 Å²	100	146.7 Å²	146.7	83%	0.826	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-74.5	116.6	172.1	0	0	0	0	0	109.3	Q28	A26-Q28 PolarHBondContact O-N 2.95Å
27	S	29.6	Very low	32.8	Very low	112 Å²	112	145.8 Å²	145.8	78%	0.783	81%	0.809	S	S	*	*			trans	-77.3	102	179.8	42.3	0	0	0	0	111.1	N25 K29	N25-S27 PolarHBondContact O-N 3.33Å; S27-K29 PolarHBondContact O-N 3.08Å; S27-K29 VanDerWaalsContact O-N 3.11Å
28	Q	34.4	Very low	32.7	Very low	191 Å²	191	142.4 Å²	142.4	89%	0.893	79%	0.787	S	S	*	*			trans	-58.1	115.2	164.2	-77.5	-179.5	-29.2	0	0	109.1	A26 R30	A26-Q28 PolarHBondContact O-N 2.95Å; Q28-R30 PolarHBondContact O-N 2.65Å; Q28-R30 VanDerWaalsContact O-N 3.1Å
29	K	31.2	Very low	33	Very low	196 Å²	196	143.4 Å²	143.4	85%	0.852	77%	0.773	S	S	*	*			trans	-69.1	106.8	177.2	-75.6	179.6	174.7	177.1	0	109.5	S27 R31	S27-K29 PolarHBondContact O-N 3.08Å; S27-K29 VanDerWaalsContact O-N 3.11Å; K29-R31 PolarHBondContact O-N 2.86Å
30	R	34.1	Very low	33.9	Very low	246 Å²	246	141.7 Å²	141.7	93%	0.928	75%	0.745	S	S	*	*			trans	-51	108.7	158.8	-87.4	-176.3	165.5	-178.5	-5.1	108.4	Q28 S32	Q28-R30 PolarHBondContact O-N 2.65Å; Q28-R30 VanDerWaalsContact O-N 3.1Å; R30-S32 PolarHBondContact O-N 3.09Å
31	R	31.6	Very low	34.1	Very low	239 Å²	239	138.9 Å²	138.9	90%	0.902	73%	0.725	S	S	*	*			trans	-73.8	101.8	167.1	-85.5	-177.1	165.9	178.2	-4.2	107.6	K29 L33	K29-R31 PolarHBondContact O-N 2.86Å; R31-L33 PolarHBondContact O-N 3.08Å
32	S	30.6	Very low	34.4	Very low	106 Å²	106	139.7 Å²	139.7	74%	0.741	72%	0.72	S	S	*	*			trans	-66.8	116.7	164.4	41.3	0	0	0	0	108.9	R30 R34	R30-S32 PolarHBondContact O-N 3.09Å; S32-R34 PolarHBondContact O-N 3.42Å
33	L	34.4	Very low	34.9	Very low	155 Å²	155	140.8 Å²	140.8	81%	0.812	70%	0.7	S	S	*	*			trans	-70.7	87	167.9	-72	172.7	0	0	0	108.1	R31 V35	R31-L33 PolarHBondContact O-N 3.08Å; L33-V35 HydrophobicContact CB-CG2 4.35Å; L33-V35 PolarHBondContact O-N 2.97Å
34	R	29.7	Very low	35	Very low	240 Å²	240	135 Å²	135	91%	0.906	69%	0.69	S	S	*	*			trans	-80.4	71	178.3	-165.1	-179	-162.1	167.4	6.4	109.8	S32	S32-R34 PolarHBondContact O-N 3.42Å
35	V	41.3	Very low	35.2	Very low	60 Å²	60	132.6 Å²	132.6	36%	0.364	68%	0.684	S	S	.	*			trans	-68.3	141.2	177.4	-166	0	0	0	0	109.6	L33 I37 F410	L33-V35 HydrophobicContact CB-CG2 4.35Å; L33-V35 PolarHBondContact O-N 2.97Å; V35-I37 PolarHBondContact O-N 3.28Å; V35-F410 HydrophobicContact CG1-CD1 3.64Å; V35-F410 HydrophobicContact CG1-CE1 3.94Å
36	H	33.5	Very low	35.2	Very low	159 Å²	159	130.3 Å²	130.3	74%	0.736	68%	0.678	S	S	*	*			trans	-85.9	107	-176.4	179.7	-68.1	0	0	0	110.2	P38	H36-P38 VanDerWaalsContact O-CD 3.32Å; H36-P38 WeakPolarHBondContact O-CD 3.37Å
37	I	42	Very low	35	Very low	98 Å²	98	132.1 Å²	132.1	50%	0.503	67%	0.673	S	S	.	*	P	Polyproline II helix	trans	-67.2	118.7	175.3	-56.2	175.3	0	0	0	108.9	V35 F410	V35-I37 PolarHBondContact O-N 3.28Å; I37-F410 HydrophobicContact CG1-CZ 4.44Å
38	P	40	Very low	35.2	Very low	58 Å²	58	134.9 Å²	134.9	38%	0.377	68%	0.678	S	S	.	*	P	Polyproline II helix	trans	-74	153.9	174.6	32.1	-34.7	0	0	0	111	H36 L40	H36-P38 VanDerWaalsContact O-CD 3.32Å; H36-P38 WeakPolarHBondContact O-CD 3.37Å; P38-L40 PolarHBondContact O-N 3.2Å
39	D	36.3	Very low	34.8	Very low	107 Å²	107	131.8 Å²	131.8	57%	0.572	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-64.7	129.3	175.9	-178.6	18.6	0	0	0	111.1	S41	D39-S41 VanDerWaalsContact CG-OG 3.22Å; D39-S41 WeakPolarHBondContact OD1-CB 3.24Å; D39-S41 PolarHBondContact OD1-N 3.49Å; D39-S41 PolarHBondContact OD1-OG 3.26Å; D39-S41 VanDerWaalsContact OD2-CB 3.29Å; D39-S41 WeakPolarHBondContact OD2-CB 3.15Å; D39-S41 PolarHBondContact OD2-OG 2.99Å
40	L	47.4	Very low	34.7	Very low	41 Å²	41	125.7 Å²	125.7	22%	0.215	66%	0.66	C	S	.	*			trans	-94.1	2	-178.2	-59.8	178.4	0	0	0	113	P38 S42 F43 L409	P38-L40 PolarHBondContact O-N 3.2Å; L40-S42 PolarHBondContact O-N 3.26Å; L40-F43 HydrophobicContact CD2-CD2 4.35Å; L40-F43 HydrophobicContact CD2-CE2 4.48Å; L40-F43 PolarHBondContact O-N 2.85Å; L40-L409 HydrophobicContact CD2-CD1 4.3Å
41	S	35.2	Very low	34.3	Very low	76 Å²	76	121.3 Å²	121.3	53%	0.531	66%	0.655	S	S	.	*	G	3₁₀ helix	trans	-56.3	-32.3	-177.5	66.1	0	0	0	0	114.5	D39 F43	D39-S41 VanDerWaalsContact CG-OG 3.22Å; D39-S41 WeakPolarHBondContact OD1-CB 3.24Å; D39-S41 PolarHBondContact OD1-N 3.49Å; D39-S41 PolarHBondContact OD1-OG 3.26Å; D39-S41 VanDerWaalsContact OD2-CB 3.29Å; D39-S41 WeakPolarHBondContact OD2-CB 3.15Å; D39-S41 PolarHBondContact OD2-OG 2.99Å; S41-F43 PolarHBondContact O-N 2.84Å
42	S	34.4	Very low	34.3	Very low	88 Å²	88	118.3 Å²	118.3	62%	0.615	66%	0.656	S	S	*	*	G	3₁₀ helix	trans	-72.5	-1.3	-179.6	57.6	0	0	0	0	115	L40	L40-S42 PolarHBondContact O-N 3.26Å
43	F	43.4	Very low	34.2	Very low	111 Å²	111	122.2 Å²	122.2	49%	0.487	66%	0.663	S	S	.	*	G	3₁₀ helix	trans	-108.8	23.5	-176.6	-59.2	-73.9	0	0	0	114.5	L40 S41	L40-F43 HydrophobicContact CD2-CD2 4.35Å; L40-F43 HydrophobicContact CD2-CE2 4.48Å; L40-F43 PolarHBondContact O-N 2.85Å; S41-F43 PolarHBondContact O-N 2.84Å
44	A	34	Very low	34	Very low	82 Å²	82	117.8 Å²	117.8	68%	0.678	66%	0.655	S	S	*	*	S	Bend	trans	-62.7	150.3	158.4	0	0	0	0	0	110.5
45	M	34.9	Very low	34	Very low	160 Å²	160	112.3 Å²	112.3	79%	0.788	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-65.8	140.2	178.6	-67.2	-74.5	-65.5	0	0	110.6	L47	M45-L47 PolarHBondContact O-N 3.06Å
46	P	29.6	Very low	33.3	Very low	112 Å²	112	113.4 Å²	113.4	73%	0.727	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-55.5	133.8	158.4	-20.9	32.9	0	0	0	109.5
47	L	28.5	Very low	33	Very low	137 Å²	137	115.6 Å²	115.6	72%	0.717	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-72	132.3	168.5	-171.2	61.6	0	0	0	107.9	M45 D49	M45-L47 PolarHBondContact O-N 3.06Å; L47-D49 VanDerWaalsContact C-N 3.3Å; L47-D49 VanDerWaalsContact CD2-OD1 3.24Å; L47-D49 WeakPolarHBondContact CD2-OD1 3.4Å; L47-D49 PolarHBondContact O-N 2.77Å; L47-D49 VanDerWaalsContact O-N 3.17Å
48	L	32.4	Very low	32.4	Very low	171 Å²	171	120.2 Å²	120.2	90%	0.895	70%	0.703	S	S	*	*			trans	-83.2	83	167.2	-72.7	174.5	0	0	0	107.8	G50	L48-G50 PolarHBondContact O-N 2.63Å
49	D	27.2	Very low	31.7	Very low	126 Å²	126	123.2 Å²	123.2	67%	0.674	73%	0.725	S	S	*	*			trans	-68	113	168	-74.1	-44.1	0	0	0	108.8	L47	L47-D49 VanDerWaalsContact C-N 3.3Å; L47-D49 VanDerWaalsContact CD2-OD1 3.24Å; L47-D49 WeakPolarHBondContact CD2-OD1 3.4Å; L47-D49 PolarHBondContact O-N 2.77Å; L47-D49 VanDerWaalsContact O-N 3.17Å
50	G	27.5	Very low	31.3	Very low	68 Å²	68	123.2 Å²	123.2	70%	0.701	73%	0.734	S	S	*	*			trans	-101.3	82	176.8	0	0	0	0	0	110.3	L48 L52	L48-G50 PolarHBondContact O-N 2.63Å; G50-L52 PolarHBondContact O-N 2.84Å
51	D	26.1	Very low	30.4	Very low	153 Å²	153	133.3 Å²	133.3	82%	0.818	77%	0.769	S	S	*	*			trans	-65.8	123.3	177.3	-88.9	-34.7	0	0	0	111.7	E53	D51-E53 PolarHBondContact O-N 3.13Å
52	L	32.4	Very low	30.1	Very low	177 Å²	177	138.8 Å²	138.8	93%	0.927	78%	0.783	S	S	*	*			trans	-94.5	68.2	175.5	-84.5	164.6	0	0	0	110.6	G50	G50-L52 PolarHBondContact O-N 2.84Å
53	E	28	Very low	29.9	Very low	188 Å²	188	140.4 Å²	140.4	88%	0.879	79%	0.789	S	S	*	*			trans	-69.9	135.9	167.2	-91	-73.1	103.6	0	0	110.7	D51	D51-E53 PolarHBondContact O-N 3.13Å
54	G	29.5	Very low	29.1	Very low	62 Å²	62	141.9 Å²	141.9	64%	0.639	80%	0.802	S	S	*	*			trans	-123.8	158.9	-160.9	0	0	0	0	0	116.5
55	S	30.7	Very low	29	Very low	124 Å²	124	143.1 Å²	143.1	87%	0.867	81%	0.806	S	S	*	*			trans	47.3	79.8	155.6	-160.9	0	0	0	0	117
56	G	25.6	Very low	29.4	Very low	83 Å²	83	140.7 Å²	140.7	86%	0.856	80%	0.802	S	S	*	*			trans	-61.4	143.9	169	0	0	0	0	0	113
57	K	28.9	Very low	29.4	Very low	206 Å²	206	145.3 Å²	145.3	90%	0.896	81%	0.811	S	S	*	*			trans	-119.7	135.8	171.3	-112.1	178.5	179.5	175.3	0	110.6
58	H	27.6	Very low	29.4	Very low	195 Å²	195	142.1 Å²	142.1	90%	0.903	81%	0.811	S	S	*	*			trans	-60.2	141.1	178.7	-80.7	-83.7	0	0	0	113.1
59	S	25.6	Very low	30.2	Very low	121 Å²	121	140.6 Å²	140.6	85%	0.846	81%	0.811	S	S	*	*				-138.6	157.7	129.2	67	0	0	0	0	109.1
60	S	29.5	Very low	30.2	Very low	107 Å²	107	138.5 Å²	138.5	75%	0.748	82%	0.819	S	S	*	*			trans	-118.2	154.8	-166.1	57	0	0	0	0	112.6
61	R	27.9	Very low	30.4	Very low	252 Å²	252	141 Å²	141	95%	0.951	83%	0.826	S	S	*	*			trans	-157.9	142.9	141.7	-107.1	151.5	-164.4	-161.1	1.8	111.3
62	K	28.2	Very low	31.9	Very low	191 Å²	191	139.3 Å²	139.3	83%	0.83	82%	0.823	S	S	*	*			trans	-81.1	161.2	170	-58.4	175.9	175.3	-176.9	0	109.3
63	V	29.6	Very low	31.9	Very low	123 Å²	123	135.8 Å²	135.8	75%	0.745	81%	0.814	S	S	*	*				-177.5	121.1	104.9	149.8	0	0	0	0	109.8
64	D	28.6	Very low	32.1	Very low	141 Å²	141	136.5 Å²	136.5	75%	0.754	81%	0.814	S	S	*	*			trans	42.4	120.8	146.4	-46.9	-15.6	0	0	0	121.7
65	S	30.8	Very low	32.1	Very low	108 Å²	108	137.1 Å²	137.1	76%	0.755	82%	0.82	S	S	*	*			trans	-84.6	167.2	148.2	57.6	0	0	0	0	110.5
66	P	43.4	Very low	32.1	Very low	109 Å²	109	139.3 Å²	139.3	71%	0.708	81%	0.814	S	S	*	*				-137	176.8	110.3	12.7	9.8	0	0	0	115.6
67	F	30	Very low	32.5	Very low	210 Å²	210	143.5 Å²	143.5	92%	0.921	81%	0.809	S	S	*	*			trans	-27.8	157.9	166.9	-42.8	-82	0	0	0	117.4
68	G	29.1	Very low	32.5	Very low	69 Å²	69	138.8 Å²	138.8	71%	0.711	80%	0.802	S	S	*	*			cis	-177.2	-166.9	13.6	0	0	0	0	0	112.5
69	P	47.6	Very low	32.8	Very low	139 Å²	139	141.7 Å²	141.7	90%	0.903	81%	0.805	S	S	*	*			trans	-92.1	154.6	-161.8	35.4	-36.5	0	0	0	115.8
70	G	27.1	Very low	33	Very low	82 Å²	82	139 Å²	139	85%	0.845	80%	0.797	S	S	*	*			trans	-172.7	108.3	172	0	0	0	0	0	116
71	S	32.6	Very low	34	Very low	122 Å²	122	139.3 Å²	139.3	85%	0.853	80%	0.796	S	S	*	*			trans	-131.6	165	163.2	-84.6	0	0	0	0	107.6
72	P	57.6	Low	34.5	Very low	116 Å²	116	135.4 Å²	135.4	75%	0.753	79%	0.789	S	S	*	*			cis	-129	-172.5	-12.4	39.7	-23.5	0	0	0	112.8
73	S	32.1	Very low	35.5	Very low	104 Å²	104	130.9 Å²	130.9	73%	0.727	78%	0.779	S	S	*	*				158.7	141.2	115.8	59.3	0	0	0	0	117.9
74	K	33.2	Very low	35.7	Very low	203 Å²	203	136.6 Å²	136.6	88%	0.883	79%	0.787	S	S	*	*			trans	35.2	131.8	142.4	-60.7	178	179	178.1	0	122.5
75	G	27.9	Very low	36.6	Very low	74 Å²	74	135 Å²	135	76%	0.763	78%	0.784	S	S	*	*			trans	153.3	70.8	158.9	0	0	0	0	0	114.9
76	F	31.1	Very low	36.8	Very low	170 Å²	170	135.4 Å²	135.4	75%	0.746	79%	0.787	S	S	*	*				73.2	131.1	83.8	-93.7	-73.8	0	0	0	118.5
77	F	33.2	Very low	36.5	Very low	172 Å²	172	135.4 Å²	135.4	75%	0.754	79%	0.789	S	S	*	*			trans	81.5	92.3	160	-57.9	-58.5	0	0	0	123.3
78	S	30.8	Very low	37.4	Very low	106 Å²	106	131.6 Å²	131.6	74%	0.741	79%	0.786	S	S	*	*				52.5	109.5	110.3	-52.4	0	0	0	0	123.1
79	R	33.2	Very low	37.7	Very low	256 Å²	256	136.8 Å²	136.8	97%	0.966	79%	0.794	S	S	*	*				-173.7	155.5	119.7	-107.9	175.8	178.5	174.8	-0.2	113.3
80	G	30.1	Very low	37.3	Very low	65 Å²	65	134.9 Å²	134.9	67%	0.67	78%	0.784	S	S	*	*			trans	-137.6	-157.1	158.9	0	0	0	0	0	108.6
81	P	49.4	Very low	37.5	Very low	113 Å²	113	135.6 Å²	135.6	73%	0.734	78%	0.781	S	S	*	*			cis	-139.3	-174.4	-6.4	41	-22.4	0	0	0	115.2
82	Q	38.6	Very low	38.2	Very low	171 Å²	171	135.4 Å²	135.4	80%	0.799	78%	0.777	S	S	*	*			trans	71.4	168.8	163	-58	-59.2	-41.2	0	0	118
83	P	49.7	Very low	37	Very low	96 Å²	96	135.9 Å²	135.9	62%	0.623	78%	0.778	S	S	*	*			cis	-141.5	150.2	-46.4	36.4	-19.7	0	0	0	117.9
84	R	32.9	Very low	37.1	Very low	243 Å²	243	142 Å²	142	92%	0.917	79%	0.785	S	S	*	*			trans	61.5	178.3	146.3	-72.2	-174.1	174.4	-168.3	-0.7	118.2
85	P	49.1	Very low	38.2	Very low	108 Å²	108	137.5 Å²	137.5	70%	0.701	78%	0.777	S	S	*	*			cis	-132.1	169.2	-3.2	43.5	-27.8	0	0	0	118.1
86	S	33.2	Very low	38.3	Very low	115 Å²	115	143.1 Å²	143.1	80%	0.804	78%	0.78	S	S	*	*			trans	50.6	152.4	141.4	60.6	0	0	0	0	125.4
87	S	38.3	Very low	38.4	Very low	109 Å²	109	141 Å²	141	76%	0.762	78%	0.781	S	S	*	*			trans	-96.4	177.3	173.5	53.6	0	0	0	0	114.4
88	P	49.6	Very low	38.5	Very low	131 Å²	131	138.2 Å²	138.2	85%	0.851	78%	0.783	S	S	*	*			trans	-135.4	-168	142.3	39.5	-27	0	0	0	114
89	M	34.3	Very low	39.5	Very low	178 Å²	178	139.5 Å²	139.5	88%	0.877	79%	0.789	S	S	*	*			trans	-137.8	146.4	-162.3	-132.4	-160.2	-173	0	0	115
90	S	38.5	Very low	39.2	Very low	99 Å²	99	130.7 Å²	130.7	69%	0.692	78%	0.778	S	S	*	*			trans	64.3	139.8	140.3	-60.4	0	0	0	0	125.9
91	A	32.5	Very low	39.4	Very low	96 Å²	96	133.2 Å²	133.2	79%	0.793	79%	0.786	S	S	*	*			trans	77.5	166.1	153.7	0	0	0	0	0	119.3
92	P	46.7	Very low	39.7	Very low	118 Å²	118	132.9 Å²	132.9	77%	0.766	78%	0.783	S	S	*	*			cis	-140.6	144.6	2	40.7	-20.7	0	0	0	120.4
93	V	33.4	Very low	39.4	Very low	127 Å²	127	134.1 Å²	134.1	77%	0.77	79%	0.786	S	S	*	*				50.4	110.5	124.2	-176.2	0	0	0	0	125.1
94	R	34.2	Very low	38.6	Very low	232 Å²	232	135.8 Å²	135.8	88%	0.875	80%	0.795	S	S	*	*			trans	64.9	177.1	136.6	-81.4	-175.9	-177.5	-168	1.7	122.4
95	P	54.6	Low	38.4	Very low	109 Å²	109	130.6 Å²	130.6	71%	0.708	79%	0.79	S	S	*	*			cis	-134.6	166.1	-21.4	30.7	-11.9	0	0	0	116.7
96	K	31.2	Very low	37.6	Very low	191 Å²	191	135 Å²	135	83%	0.83	80%	0.798	S	S	*	*			trans	166.4	152.7	144.1	-97.2	161.2	-175.2	178.5	0	110.3
97	T	33.8	Very low	38.1	Very low	126 Å²	126	134.3 Å²	134.3	77%	0.773	79%	0.791	S	S	*	*			cis	-157.4	-176	-25.2	3.8	0	0	0	0	109.4
98	S	34.3	Very low	37.7	Very low	113 Å²	113	138.3 Å²	138.3	79%	0.79	80%	0.795	S	S	*	*			trans	-145.5	167.1	170.3	-46.9	0	0	0	0	109.8
99	P	51.6	Low	36.7	Very low	133 Å²	133	136.8 Å²	136.8	86%	0.864	79%	0.787	S	S	*	*				-141.4	-179.7	78.5	36	-16.9	0	0	0	113.5
100	G	27.6	Very low	36.4	Very low	72 Å²	72	138 Å²	138	74%	0.742	78%	0.784	S	S	*	*			cis	-170.2	177.4	1.2	0	0	0	0	0	113.4
101	S	34.1	Very low	36	Very low	118 Å²	118	141.4 Å²	141.4	83%	0.825	79%	0.789	S	S	*	*			trans	-118.6	-155.5	-170.2	-31.2	0	0	0	0	110.6
102	P	54.6	Low	35.7	Very low	105 Å²	105	146.1 Å²	146.1	68%	0.682	79%	0.794	S	S	*	*			cis	-137.1	176.3	-24.4	25.3	-1.8	0	0	0	114.5
103	K	32.5	Very low	35.1	Very low	198 Å²	198	145.5 Å²	145.5	86%	0.861	79%	0.793	S	S	*	*				161	162.4	114.8	-86.4	-175.3	-179.6	178.9	0	115.6
104	T	34.1	Very low	35.5	Very low	131 Å²	131	145.2 Å²	145.2	80%	0.804	79%	0.794	S	S	*	*			trans	-100.5	164.4	-170.1	46.2	0	0	0	0	114
105	V	28.8	Very low	35.8	Very low	134 Å²	134	140.3 Å²	140.3	81%	0.812	79%	0.791	S	S	*	*				169.8	148.1	129.2	151	0	0	0	0	112.3
106	F	31.9	Very low	34.8	Very low	199 Å²	199	146.9 Å²	146.9	87%	0.873	80%	0.802	S	S	*	*			trans	-116.8	157.2	165.7	-83.8	-80.4	0	0	0	107.5
107	P	43.9	Very low	35	Very low	102 Å²	102	142.8 Å²	142.8	66%	0.662	80%	0.797	S	S	*	*			cis	-156.3	-172.5	44.4	42.8	-20.3	0	0	0	119.1
108	F	28.9	Very low	35.3	Very low	192 Å²	192	142.9 Å²	142.9	84%	0.842	80%	0.8	S	S	*	*			trans	71.2	109.5	150.8	-79.6	-58.5	0	0	0	124.4
109	S	28.4	Very low	35.4	Very low	99 Å²	99	148.7 Å²	148.7	69%	0.692	81%	0.805	S	S	*	*				107.6	151.2	115.2	79.3	0	0	0	0	122.1
110	Y	29.1	Very low	34.4	Very low	205 Å²	205	152.4 Å²	152.4	80%	0.804	80%	0.802	S	S	*	*			trans	68.3	100.9	170.1	-78.1	-86.4	0	0	0	122.1
111	Q	29.1	Very low	34.6	Very low	170 Å²	170	157.3 Å²	157.3	79%	0.794	81%	0.807	S	S	*	*				72.3	101.6	120.8	-172.9	178.8	-12.9	0	0	120.8
112	E	27.8	Very low	34.4	Very low	195 Å²	195	155.1 Å²	155.1	91%	0.911	79%	0.792	S	S	*	*				-150	167	122.6	-152.9	155.2	-152.3	0	0	111.9
113	S	33.6	Very low	33.2	Very low	105 Å²	105	160.4 Å²	160.4	73%	0.734	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-95.3	145.1	-165.8	-59.7	0	0	0	0	114.4
114	P	41.1	Very low	33.2	Very low	121 Å²	121	156 Å²	156	79%	0.786	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-70.5	142.9	172.1	-15.9	30.2	0	0	0	113.2
115	P	41.8	Very low	33	Very low	128 Å²	128	153.6 Å²	153.6	83%	0.831	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-71.4	159.4	173.8	29.7	-34.5	0	0	0	113
116	R	32.4	Very low	33.1	Very low	248 Å²	248	154.8 Å²	154.8	94%	0.936	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-72.1	152.5	-169.8	-72.1	176.3	171	160.3	-3.6	114.5
117	S	35	Very low	33	Very low	104 Å²	104	155.1 Å²	155.1	73%	0.727	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-70.6	150.5	176.1	47.8	0	0	0	0	114.5
118	P	39.9	Very low	32.4	Very low	128 Å²	128	162.3 Å²	162.3	83%	0.831	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-64.6	147.6	165.5	-19.4	32.9	0	0	0	111.9
119	R	37.1	Very low	32.3	Very low	235 Å²	235	158.7 Å²	158.7	89%	0.887	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-89	124.9	-174.7	-87.7	-179.8	-87.4	-163.7	-5.1	113.5	M121	R119-M121 PolarHBondContact O-N 3.29Å
120	R	31	Very low	32.3	Very low	212 Å²	212	160 Å²	160	80%	0.8	82%	0.823	S	S	*	*			trans	4.6	107.1	140.7	-174.4	-173.2	-162.9	-102	10.8	115.2	S122	R120-S122 PolarHBondContact NH1-OG 2.93Å
121	M	30.9	Very low	32.3	Very low	175 Å²	175	155.1 Å²	155.1	86%	0.862	82%	0.819	S	S	*	*			trans	-97.8	124.1	159.8	-76.7	-68.8	174.8	0	0	109.5	R119	R119-M121 PolarHBondContact O-N 3.29Å
122	S	30.4	Very low	32.4	Very low	72 Å²	72	156.3 Å²	156.3	50%	0.503	82%	0.822	S	S	.	*			trans	-122.6	108.1	174.9	53.1	0	0	0	0	108.9	R120	R120-S122 PolarHBondContact NH1-OG 2.93Å
123	F	29.3	Very low	32.6	Very low	215 Å²	215	156.3 Å²	156.3	94%	0.943	82%	0.822	S	S	*	*			trans	-81.9	123.1	177.4	-108.2	-91.9	0	0	0	110.7
124	S	32.1	Very low	32.4	Very low	107 Å²	107	156.6 Å²	156.6	75%	0.748	82%	0.823	S	S	*	*			trans	-149.4	109.1	177.8	58.6	0	0	0	0	112
125	G	29.8	Very low	31.9	Very low	79 Å²	79	156.6 Å²	156.6	81%	0.814	83%	0.826	S	S	*	*			trans	86.3	106.5	157.3	0	0	0	0	0	117.7
126	I	32.4	Very low	32.4	Very low	159 Å²	159	155.6 Å²	155.6	82%	0.815	82%	0.82	S	S	*	*			trans	-132.5	114.2	145.1	-59.9	179.8	0	0	0	107.2
127	F	29.2	Very low	32.2	Very low	206 Å²	206	151.2 Å²	151.2	90%	0.904	82%	0.815	S	S	*	*			trans	175.6	93.7	150.2	-93.8	-56.8	0	0	0	108.8
128	R	31.3	Very low	32.2	Very low	253 Å²	253	152 Å²	152	96%	0.955	82%	0.821	S	S	*	*			trans	-145.8	150.6	161.4	-81.4	-156.3	171.6	-150	-3.4	110.5
129	S	27.5	Very low	31.9	Very low	116 Å²	116	153.7 Å²	153.7	81%	0.811	82%	0.822	S	S	*	*			trans	-68.6	146	-166.3	-43	0	0	0	0	114.6
130	S	27.4	Very low	32.4	Very low	126 Å²	126	148 Å²	148	88%	0.881	82%	0.816	S	S	*	*			trans	-93.1	106.8	163.8	55	0	0	0	0	110.6
131	S	30.3	Very low	32.3	Very low	104 Å²	104	142.3 Å²	142.3	73%	0.727	81%	0.814	S	S	*	*			trans	-141.3	108	169.9	57.1	0	0	0	0	109.6
132	K	31.1	Very low	32.4	Very low	195 Å²	195	140.6 Å²	140.6	85%	0.848	81%	0.814	S	S	*	*			trans	-162.5	91.7	168.6	-117.7	176.8	-178.6	-175.1	0	112
133	E	30.4	Very low	32.5	Very low	195 Å²	195	142.5 Å²	142.5	91%	0.911	83%	0.827	S	S	*	*				27	121.9	108	-156.7	158.5	-129.4	0	0	117
134	S	30.1	Very low	33.6	Very low	110 Å²	110	138.5 Å²	138.5	77%	0.769	82%	0.823	S	S	*	*			trans	-147.5	141	177.3	60.4	0	0	0	0	112.4
135	S	31.1	Very low	33.6	Very low	121 Å²	121	137.1 Å²	137.1	85%	0.846	83%	0.825	S	S	*	*			trans	-164.7	166.4	174.9	-68	0	0	0	0	108.7
136	P	51.1	Low	33.6	Very low	108 Å²	108	136.7 Å²	136.7	70%	0.701	82%	0.821	S	S	*	*				-132.8	164.1	-70.5	36.7	-20.7	0	0	0	113.2
137	N	29.3	Very low	33.9	Very low	156 Å²	156	136.2 Å²	136.2	83%	0.834	82%	0.819	S	S	*	*			trans	163.7	116.4	136.5	-89.5	-17.9	0	0	0	113.5
138	S	35.1	Very low	34.1	Very low	120 Å²	120	137 Å²	137	84%	0.839	82%	0.816	S	S	*	*				170.3	148.1	117.7	42.6	0	0	0	0	111.4
139	N	32.3	Very low	34	Very low	163 Å²	163	133.5 Å²	133.5	87%	0.872	81%	0.808	S	S	*	*			trans	-116.2	175.5	-178.2	-83.6	-26.5	0	0	0	108.5
140	P	47.6	Very low	34.3	Very low	116 Å²	116	137.6 Å²	137.6	75%	0.753	81%	0.811	S	S	*	*			cis	-142.2	-177.9	17.6	43.3	-24.7	0	0	0	117.9
141	A	30.1	Very low	34.4	Very low	92 Å²	92	136 Å²	136	76%	0.76	80%	0.8	S	S	*	*			trans	70.6	143.5	163.8	0	0	0	0	0	117.2
142	T	32.9	Very low	34.5	Very low	139 Å²	139	142 Å²	142	85%	0.853	81%	0.807	S	S	*	*			cis	-142.7	157.6	15.8	-31.2	0	0	0	0	112.1
143	S	32.2	Very low	34.6	Very low	112 Å²	112	137.2 Å²	137.2	78%	0.783	80%	0.798	S	S	*	*			trans	-104.1	-175.7	177.6	-51.8	0	0	0	0	110.7
144	P	53.2	Low	34.8	Very low	132 Å²	132	138.8 Å²	138.8	86%	0.857	80%	0.796	S	S	*	*			cis	-141.7	178.7	4.5	43.6	-25.3	0	0	0	117.6
145	G	31.2	Very low	35	Very low	77 Å²	77	143 Å²	143	79%	0.794	80%	0.8	S	S	*	*			trans	167.3	114.2	157.9	0	0	0	0	0	117.6
146	G	30.4	Very low	35	Very low	71 Å²	71	144.5 Å²	144.5	73%	0.732	80%	0.804	S	S	*	*			trans	79.7	123.4	166.1	0	0	0	0	0	116.6
147	I	37.7	Very low	34.2	Very low	149 Å²	149	145 Å²	145	76%	0.764	81%	0.811	S	S	*	*			cis	72	116.9	27.4	-51	177.6	0	0	0	111.7
148	R	33.1	Very low	34.2	Very low	221 Å²	221	141.2 Å²	141.2	83%	0.834	81%	0.808	S	S	*	*			cis	-156.9	168.5	2.4	-120.3	171.3	-156.6	170.1	5.9	112.5
149	F	30.8	Very low	34.3	Very low	180 Å²	180	143.5 Å²	143.5	79%	0.789	81%	0.81	S	S	*	*			trans	-54	156.4	168.9	-57.7	-100.8	0	0	0	115.2
150	F	32.1	Very low	34.3	Very low	202 Å²	202	141.7 Å²	141.7	89%	0.886	81%	0.81	S	S	*	*				-167.1	-177.9	99.6	-107.6	-72.3	0	0	0	113.3
151	S	30.3	Very low	33.6	Very low	92 Å²	92	141.2 Å²	141.2	64%	0.643	81%	0.809	S	S	*	*			trans	-149.8	171.9	-162.8	72.8	0	0	0	0	114.2
152	R	32.8	Very low	33.8	Very low	231 Å²	231	142.4 Å²	142.4	87%	0.872	81%	0.813	S	S	*	*			trans	79.9	123.9	153.8	-83.6	179.4	170.9	-172.1	-0.9	121.1
153	S	32.7	Very low	34.5	Very low	95 Å²	95	141.4 Å²	141.4	66%	0.664	81%	0.808	S	S	*	*				108.5	110.3	121.5	-74.3	0	0	0	0	122.4
154	R	34.4	Very low	34.5	Very low	228 Å²	228	141.7 Å²	141.7	86%	0.86	81%	0.81	S	S	*	*				63.1	121.6	125.6	-64.8	-176	177.9	-176.3	0.6	122.1
155	K	35.3	Very low	33.6	Very low	197 Å²	197	141.6 Å²	141.6	86%	0.857	81%	0.807	S	S	*	*				47.3	122.9	129.8	-65.1	-170.8	173.3	-168.4	0	120.5
156	T	30.2	Very low	34.1	Very low	153 Å²	153	143.9 Å²	143.9	94%	0.939	81%	0.808	S	S	*	*				-150.8	171.2	123.2	25.1	0	0	0	0	110.3
157	S	35	Very low	34.3	Very low	120 Å²	120	146.6 Å²	146.6	84%	0.839	81%	0.811	S	S	*	*			trans	-104.9	156.6	-173.9	49.5	0	0	0	0	113.5
158	G	28.6	Very low	34.2	Very low	76 Å²	76	148.8 Å²	148.8	78%	0.784	82%	0.818	S	S	*	*			trans	-159.3	145.9	168.1	0	0	0	0	0	112.1
159	L	37.5	Very low	34.1	Very low	168 Å²	168	144.3 Å²	144.3	88%	0.88	82%	0.815	S	S	*	*			trans	-105.2	154.5	179.5	-71.8	74.2	0	0	0	110.9
160	S	31.3	Very low	34	Very low	125 Å²	125	141.8 Å²	141.8	87%	0.874	81%	0.814	S	S	*	*			trans	160	167.6	130.8	51.6	0	0	0	0	111.4
161	S	33.8	Very low	33.9	Very low	105 Å²	105	141.5 Å²	141.5	73%	0.734	81%	0.812	S	S	*	*			trans	-147	140.2	-172.3	50	0	0	0	0	113.2
162	S	34.8	Very low	33.9	Very low	118 Å²	118	145.5 Å²	145.5	83%	0.825	82%	0.821	S	S	*	*			trans	67.5	167	158.6	-58.9	0	0	0	0	116.5
163	P	48	Very low	33.6	Very low	117 Å²	117	143.7 Å²	143.7	76%	0.76	82%	0.822	S	S	*	*			cis	-133.5	-169.5	7	44.4	-28.5	0	0	0	115.8
164	S	31.7	Very low	33.4	Very low	118 Å²	118	145.2 Å²	145.2	83%	0.825	83%	0.827	S	S	*	*			trans	121.2	142.8	149.7	73	0	0	0	0	117
165	T	34.4	Very low	33.2	Very low	130 Å²	130	142.9 Å²	142.9	80%	0.798	82%	0.824	S	S	*	*			trans	-119.3	174.2	-179.5	53.1	0	0	0	0	109.6
166	P	41	Very low	33.6	Very low	125 Å²	125	139.8 Å²	139.8	81%	0.812	82%	0.824	S	S	*	*				-147.2	157.1	98.5	37.9	-22.9	0	0	0	115.8
167	T	34.9	Very low	33.8	Very low	128 Å²	128	139.4 Å²	139.4	79%	0.785	82%	0.815	S	S	*	*			trans	-128.8	137.9	163.7	-45.1	0	0	0	0	107.9
168	Q	34.5	Very low	33.4	Very low	196 Å²	196	142.3 Å²	142.3	92%	0.916	82%	0.816	S	S	*	*			trans	-86.8	161.3	175.3	-75.6	-157.3	0.7	0	0	113
169	V	31.4	Very low	33.4	Very low	127 Å²	127	143.6 Å²	143.6	77%	0.77	81%	0.813	S	S	*	*			trans	-137.9	137.8	-163.3	171.9	0	0	0	0	110.9
170	T	30.2	Very low	33.1	Very low	126 Å²	126	146.8 Å²	146.8	77%	0.773	82%	0.815	S	S	*	*			trans	179.9	156.2	136.3	23.4	0	0	0	0	108.7
171	K	30	Very low	33	Very low	196 Å²	196	150 Å²	150	85%	0.852	81%	0.813	S	S	*	*			cis	-143.8	162.3	12.1	-130.7	156	-170.9	176.5	0	110.4
172	Q	28.8	Very low	32.7	Very low	177 Å²	177	153.9 Å²	153.9	83%	0.827	82%	0.819	S	S	*	*			trans	-100.9	166.8	-176.3	-60.5	167.6	-76.1	0	0	113.1
173	H	28.2	Very low	32.4	Very low	193 Å²	193	155.4 Å²	155.4	89%	0.894	81%	0.813	S	S	*	*			trans	-141.5	174.3	139.1	-100.5	-81.1	0	0	0	109.6
174	T	26.9	Very low	32.2	Very low	126 Å²	126	154.8 Å²	154.8	77%	0.773	81%	0.809	S	S	*	*			trans	-117.1	149.8	-138.8	-46.5	0	0	0	0	116.8
175	F	31.8	Very low	32	Very low	179 Å²	179	156.5 Å²	156.5	79%	0.785	80%	0.804	S	S	*	*			trans	-47.7	162.2	164	-85.7	-69.9	0	0	0	115.8
176	P	42.5	Very low	31.8	Very low	132 Å²	132	159.4 Å²	159.4	86%	0.857	80%	0.801	S	S	*	*				-139	-175.5	58.6	40.2	-20.6	0	0	0	117.9
177	L	34.1	Very low	31.2	Very low	145 Å²	145	160.6 Å²	160.6	76%	0.759	80%	0.8	S	S	*	*			trans	-139.6	135.6	-170.6	177.5	121.5	0	0	0	110.4
178	E	27.6	Very low	31.1	Very low	181 Å²	181	158.2 Å²	158.2	85%	0.846	78%	0.779	S	S	*	*			trans	-130.6	122.7	168.1	-75.7	-168.1	130.6	0	0	108.1
179	S	28.6	Very low	30.9	Very low	104 Å²	104	155.4 Å²	155.4	73%	0.727	77%	0.77	S	S	*	*				83.6	78.2	70.7	-64.8	0	0	0	0	113.2
180	Y	29.8	Very low	31	Very low	234 Å²	234	157 Å²	157	92%	0.918	76%	0.763	S	S	*	*			trans	-76.4	120.2	174.6	-91.8	-93.2	0	0	0	112.9
181	K	29.4	Very low	31.3	Very low	194 Å²	194	157.7 Å²	157.7	84%	0.843	76%	0.76	S	S	*	*			trans	-155.1	107.7	156.8	-77.6	-167.3	179.6	-178.5	0	111.4
182	H	27.8	Very low	31.5	Very low	185 Å²	185	158 Å²	158	86%	0.856	76%	0.757	S	S	*	*				-179.6	148.2	118.4	-119.2	-89.6	0	0	0	113.2
183	E	29.5	Very low	31.5	Very low	151 Å²	151	153.4 Å²	153.4	71%	0.706	75%	0.75	S	S	*	*			trans	-100.9	157	158.2	-116.7	-92.3	151.4	0	0	107.1	E185	E183-E185 PolarHBondContact OE2-N 3.3Å
184	P	42.6	Very low	31.6	Very low	104 Å²	104	149.1 Å²	149.1	68%	0.675	74%	0.742	S	S	*	*				-154.3	149.2	95.9	37.7	-18.5	0	0	0	118.7
185	E	29.1	Very low	31.6	Very low	154 Å²	154	148 Å²	148	72%	0.72	74%	0.739	S	S	*	*			trans	78.6	114.7	136.9	-73.7	177.2	155.2	0	0	119.4	E183	E183-E185 PolarHBondContact OE2-N 3.3Å
186	R	29.2	Very low	31.5	Very low	190 Å²	190	145 Å²	145	72%	0.717	74%	0.741	S	S	*	*				72.7	135.8	88.1	-71.2	-172.9	116.5	85	4.4	113.6	E188	R186-E188 IonicContact NH2-OE1 2.64Å; R186-E188 PolarHBondContact NH2-OE1 2.8Å
187	L	28	Very low	32.3	Very low	151 Å²	151	144.5 Å²	144.5	79%	0.791	74%	0.737	S	S	*	*				-150	158.9	56.6	-170.9	64.2	0	0	0	115.8
188	E	34	Very low	33.2	Very low	78 Å²	78	143.1 Å²	143.1	36%	0.364	74%	0.737	S	S	.	*			trans	-49.7	163	-178.6	-60.4	177	146.7	0	0	117	R186 R190	R186-E188 IonicContact NH2-OE1 2.64Å; R186-E188 PolarHBondContact NH2-OE1 2.8Å; E188-R190 IonicContact OE1-CZ 3.84Å; E188-R190 IonicContact OE1-NE 3.83Å; E188-R190 IonicContact OE1-NH2 2.67Å; E188-R190 PolarHBondContact OE1-NH2 2.68Å; E188-R190 IonicContact OE2-CZ 2.69Å; E188-R190 IonicContact OE2-NH2 2.6Å; E188-R190 PolarHBondContact OE2-NH2 2.97Å
189	N	29.2	Very low	33.4	Very low	136 Å²	136	141.2 Å²	141.2	73%	0.727	73%	0.733	S	S	*	*			cis	-141.4	147.4	47	-68.8	-81.3	0	0	0	113.2
190	R	34.9	Very low	33.7	Very low	162 Å²	162	142.3 Å²	142.3	61%	0.611	74%	0.735	S	S	*	*				68.3	127.6	50.1	-134.2	-158.3	-73.4	-175.9	-1.5	110.2	E188	E188-R190 IonicContact OE1-CZ 3.84Å; E188-R190 IonicContact OE1-NE 3.83Å; E188-R190 IonicContact OE1-NH2 2.67Å; E188-R190 PolarHBondContact OE1-NH2 2.68Å; E188-R190 IonicContact OE2-CZ 2.69Å; E188-R190 IonicContact OE2-NH2 2.6Å; E188-R190 PolarHBondContact OE2-NH2 2.97Å
191	I	34.8	Very low	33.6	Very low	140 Å²	140	134.7 Å²	134.7	72%	0.718	73%	0.727	S	S	*	*			cis	-154	152.3	35.7	-75.6	167.9	0	0	0	106.6
192	Y	34.3	Very low	33.9	Very low	201 Å²	201	134.7 Å²	134.7	79%	0.788	73%	0.73	S	S	*	*			cis	-155.3	167.4	-7.5	-109.8	-163.4	0	0	0	107
193	A	29.3	Very low	33.9	Very low	82 Å²	82	136 Å²	136	68%	0.678	73%	0.728	S	S	*	*				75.2	137.3	54.2	0	0	0	0	0	114.8
194	S	29.7	Very low	33.9	Very low	103 Å²	103	137.2 Å²	137.2	72%	0.72	73%	0.731	S	S	*	*			cis	-163.6	145.9	10.8	53.6	0	0	0	0	115.9
195	S	27.7	Very low	33.1	Very low	103 Å²	103	137.8 Å²	137.8	72%	0.72	74%	0.736	S	S	*	*			trans	41.1	134.5	144.7	58.9	0	0	0	0	122.8
196	S	30.5	Very low	34.3	Very low	116 Å²	116	136.2 Å²	136.2	81%	0.811	74%	0.739	S	S	*	*			cis	102.7	176.4	37	-52.8	0	0	0	0	113.5
197	P	58.8	Low	34.1	Very low	120 Å²	120	132.8 Å²	132.8	78%	0.779	74%	0.744	S	S	*	*				-126.2	-146.4	-121.2	35.4	-8.5	0	0	0	112.2
198	P	52.8	Low	34.2	Very low	116 Å²	116	130 Å²	130	75%	0.753	74%	0.738	S	S	*	*			cis	-146.6	-177.7	-4.9	45.4	-25.1	0	0	0	119.1
199	D	31.8	Very low	33.9	Very low	142 Å²	142	135 Å²	135	76%	0.759	76%	0.759	S	S	*	*			trans	90.8	152.3	135.9	-143.1	10.7	0	0	0	126
200	T	33.8	Very low	34	Very low	127 Å²	127	137.1 Å²	137.1	78%	0.779	76%	0.764	S	S	*	*			trans	76.6	139.7	162.5	65.2	0	0	0	0	122.1
201	G	29.5	Very low	33.7	Very low	73 Å²	73	134.5 Å²	134.5	75%	0.753	77%	0.771	S	S	*	*			trans	178.5	5.3	176.7	0	0	0	0	0	127.1
202	Q	34.3	Very low	34.1	Very low	195 Å²	195	133.4 Å²	133.4	91%	0.911	77%	0.772	S	S	*	*			trans	62.2	-168.3	167.8	-67.1	-147.1	14.1	0	0	121.2
203	R	28.6	Very low	33.8	Very low	211 Å²	211	129.9 Å²	129.9	80%	0.796	77%	0.772	S	S	*	*			trans	-126.9	160.4	-158.2	-55.5	172.2	175.9	171.6	-2.3	113.4
204	F	28.7	Very low	33.8	Very low	178 Å²	178	137 Å²	137	78%	0.781	78%	0.781	S	S	*	*				162.8	172.8	117.4	-93.7	-71.6	0	0	0	113.5
205	C	27.1	Very low	34.4	Very low	115 Å²	115	137.3 Å²	137.3	78%	0.777	78%	0.781	S	S	*	*			trans	-146.4	-169.1	-173.1	-52.5	0	0	0	0	109.4
206	P	53.8	Low	35.5	Very low	121 Å²	121	137.9 Å²	137.9	79%	0.786	78%	0.782	S	S	*	*				-131.4	172	-55.5	35.9	-20.4	0	0	0	113.8
207	S	25.6	Very low	35.5	Very low	118 Å²	118	140.5 Å²	140.5	83%	0.825	79%	0.787	S	S	*	*			trans	-172.3	-179.7	156.2	57.7	0	0	0	0	111.6
208	S	28.1	Very low	34	Very low	94 Å²	94	139.4 Å²	139.4	66%	0.657	79%	0.787	S	S	*	*				-179.4	150.9	-70	-85.8	0	0	0	0	110.1
209	F	29.1	Very low	32.9	Very low	183 Å²	183	139.5 Å²	139.5	80%	0.803	79%	0.791	S	S	*	*			trans	95.2	130	160.1	-64.4	-68.5	0	0	0	123.6
210	Q	30.5	Very low	33.6	Very low	179 Å²	179	138.2 Å²	138.2	84%	0.836	79%	0.79	S	S	*	*			trans	83.5	119.2	134.6	-74.6	168.9	21.9	0	0	123.7
211	S	28.3	Very low	33.3	Very low	108 Å²	108	137.9 Å²	137.9	76%	0.755	79%	0.788	S	S	*	*			trans	-107.6	164.6	152	59.8	0	0	0	0	109.7
212	P	43.8	Very low	33.3	Very low	116 Å²	116	142.4 Å²	142.4	75%	0.753	79%	0.79	S	S	*	*				-136	-149.6	84.9	25.4	-1.2	0	0	0	111.7
213	T	27.2	Very low	33	Very low	128 Å²	128	144.3 Å²	144.3	79%	0.785	79%	0.79	S	S	*	*			cis	-159	-173.1	13.2	-25.7	0	0	0	0	111.9
214	R	30	Very low	32.9	Very low	230 Å²	230	138.3 Å²	138.3	87%	0.868	79%	0.785	S	S	*	*			trans	-146.2	178.6	170.7	-119.4	-170.3	168.7	-162.8	-3.3	108.4
215	P	43.6	Very low	33.6	Very low	110 Å²	110	135.9 Å²	135.9	71%	0.714	79%	0.788	S	S	*	*			cis	-129.3	-138.8	23.6	39	-15.2	0	0	0	110.6
216	P	49.9	Very low	33.6	Very low	115 Å²	115	135.4 Å²	135.4	75%	0.747	79%	0.785	S	S	*	*			cis	-133.2	-168	-17.1	36.8	-14.2	0	0	0	117.1
217	L	29.4	Very low	32.4	Very low	172 Å²	172	139.1 Å²	139.1	90%	0.901	79%	0.789	S	S	*	*			trans	-66.5	161.4	-169.6	-80.8	55	0	0	0	119
218	A	29.2	Very low	32.6	Very low	96 Å²	96	138 Å²	138	79%	0.793	79%	0.787	S	S	*	*			trans	-155.9	160.4	132.4	0	0	0	0	0	113.1
219	S	29.1	Very low	32.6	Very low	118 Å²	118	138 Å²	138	83%	0.825	79%	0.793	S	S	*	*			trans	-165.4	173.2	175	-66.2	0	0	0	0	107.7
220	P	46.6	Very low	32.6	Very low	115 Å²	115	133.7 Å²	133.7	75%	0.747	79%	0.791	S	S	*	*			cis	-123.5	-164.5	2.4	37.3	-16	0	0	0	112.4
221	T	27.9	Very low	32.5	Very low	121 Å²	121	133 Å²	133	74%	0.742	79%	0.792	S	S	*	*				178.8	162.1	81.1	-52.4	0	0	0	0	111
222	H	28.3	Very low	32.5	Very low	168 Å²	168	132.2 Å²	132.2	78%	0.778	79%	0.792	S	S	*	*			trans	-49.5	150.2	-178.8	-53.6	-91.4	0	0	0	117.6
223	Y	27.8	Very low	31.7	Very low	235 Å²	235	131.8 Å²	131.8	92%	0.922	80%	0.799	S	S	*	*				-171.8	157.3	110.6	-102.4	-70	0	0	0	112.7
224	A	28.1	Very low	31.8	Very low	84 Å²	84	130.1 Å²	130.1	69%	0.694	80%	0.798	S	S	*	*			trans	-147.7	153.4	168.4	0	0	0	0	0	106.8
225	P	43.3	Very low	32.2	Very low	128 Å²	128	125 Å²	125	83%	0.831	79%	0.794	S	S	*	*			cis	-126	-156.3	41.2	38.2	-17.5	0	0	0	111.8
226	S	26.4	Very low	31.4	Very low	104 Å²	104	123.3 Å²	123.3	73%	0.727	80%	0.797	S	S	*	*			cis	-160.7	172.2	13.8	63.3	0	0	0	0	113.2
227	K	29.3	Very low	31	Very low	200 Å²	200	124.2 Å²	124.2	87%	0.87	80%	0.803	S	S	*	*			trans	-5.9	133.7	162.7	-57.6	173	176.8	176.7	0	116.1
228	A	28	Very low	31.1	Very low	95 Å²	95	120.6 Å²	120.6	79%	0.785	80%	0.798	S	S	*	*				177.8	169.6	67.1	0	0	0	0	0	113.8
229	A	29.2	Very low	31.2	Very low	93 Å²	93	125 Å²	125	77%	0.769	80%	0.802	S	S	*	*			trans	58.2	100.6	147	0	0	0	0	0	122.8
230	A	28.6	Very low	31.4	Very low	93 Å²	93	123.9 Å²	123.9	77%	0.769	80%	0.799	S	S	*	*				83.9	146.8	111.5	0	0	0	0	0	123.7
231	L	29.3	Very low	30.9	Very low	163 Å²	163	122.5 Å²	122.5	85%	0.853	81%	0.807	S	S	*	*			trans	77.5	96.2	154.8	-68.4	164.8	0	0	0	122.2
232	A	27.9	Very low	31.2	Very low	93 Å²	93	125.3 Å²	125.3	77%	0.769	81%	0.813	S	S	*	*				82.7	160.2	117.1	0	0	0	0	0	122.8
233	A	27.2	Very low	31.8	Very low	107 Å²	107	124.4 Å²	124.4	88%	0.884	81%	0.813	S	S	*	*			trans	81.9	148.9	174.5	0	0	0	0	0	118.9
234	A	28.3	Very low	32	Very low	92 Å²	92	121.1 Å²	121.1	76%	0.76	81%	0.806	S	S	*	*			trans	-122.8	-162.3	-168.5	0	0	0	0	0	109.3
235	P	39.3	Very low	32.2	Very low	122 Å²	122	124.6 Å²	124.6	79%	0.792	81%	0.806	S	S	*	*			cis	-143.3	152.3	4.8	40.4	-20	0	0	0	119.5
236	G	26.5	Very low	32	Very low	76 Å²	76	123.6 Å²	123.6	78%	0.784	79%	0.793	S	S	*	*			trans	66.2	-178.4	140.5	0	0	0	0	0	120.7
237	P	41.3	Very low	32.2	Very low	134 Å²	134	125.6 Å²	125.6	87%	0.87	79%	0.791	S	S	*	*			cis	-108.8	174.2	-9.8	39.9	-30.2	0	0	0	113.5
238	A	31.6	Very low	32.8	Very low	95 Å²	95	123.7 Å²	123.7	79%	0.785	78%	0.783	S	S	*	*			trans	-124.6	174	166.6	0	0	0	0	0	109.2
239	E	30.4	Very low	33.1	Very low	190 Å²	190	127.3 Å²	127.3	89%	0.888	78%	0.783	S	S	*	*			trans	-170.1	104.5	153.5	-104	-69.9	116.4	0	0	108.7
240	A	34.3	Very low	33.6	Very low	93 Å²	93	128.9 Å²	128.9	77%	0.769	78%	0.779	S	S	*	*			trans	-156.5	112.8	165.8	0	0	0	0	0	107.5	M242	A240-M242 PolarHBondContact O-N 3.27Å
241	G	35.9	Very low	33.9	Very low	87 Å²	87	133.4 Å²	133.4	90%	0.897	78%	0.784	S	S	*	*			trans	-58.5	104.6	-164	0	0	0	0	0	114.4
242	M	34	Very low	34.6	Very low	179 Å²	179	129.2 Å²	129.2	88%	0.882	77%	0.773	S	S	*	*			trans	-89	141.8	173.5	-163.7	168.7	-172.8	0	0	110	A240 E244	A240-M242 PolarHBondContact O-N 3.27Å; M242-E244 PolarHBondContact O-N 2.85Å
243	L	40.7	Very low	35.4	Very low	149 Å²	149	130 Å²	130	78%	0.78	76%	0.761	S	S	*	*			trans	-63.2	118.6	-179.3	-169.6	85.3	0	0	0	110.4	K245	L243-K245 PolarHBondContact O-N 3.2Å
244	E	31.3	Very low	36.3	Very low	166 Å²	166	132.7 Å²	132.7	78%	0.776	76%	0.76	S	S	*	*			trans	-60	110.1	172.4	-72.1	-177.7	132.3	0	0	110.4	M242 L246	M242-E244 PolarHBondContact O-N 2.85Å; E244-L246 PolarHBondContact O-N 3.07Å; E244-L246 VanDerWaalsContact O-N 3.13Å
245	K	34	Very low	37.8	Very low	157 Å²	157	131.2 Å²	131.2	68%	0.683	75%	0.745	S	S	*	*			trans	-74.9	97.1	175.8	-176.9	-163.4	176.1	-160.8	0	108.5	L243 E247	L243-K245 PolarHBondContact O-N 3.2Å; K245-E247 HydrophobicContact CD-CG 4.06Å; K245-E247 WeakPolarHBondContact CE-OE1 3.45Å; K245-E247 HydrophobicContact CG-CG 4.23Å; K245-E247 IonicContact NZ-OE1 3.77Å; K245-E247 PolarHBondContact NZ-OE1 3.05Å; K245-E247 PolarHBondContact O-N 3.15Å
246	L	39.1	Very low	38.9	Very low	108 Å²	108	132.1 Å²	132.1	57%	0.565	74%	0.738	S	S	*	*			trans	-66.2	98.8	171	-74.9	169.5	0	0	0	109.9	E244 F248 Y374	E244-L246 PolarHBondContact O-N 3.07Å; E244-L246 VanDerWaalsContact O-N 3.13Å; L246-F248 VanDerWaalsContact C-N 3.33Å; L246-F248 HydrophobicContact CB-CD2 4.29Å; L246-F248 HydrophobicContact CB-CE2 4.34Å; L246-F248 PolarHBondContact O-N 2.97Å; L246-Y374 WeakPolarHBondContact CD1-OH 3.08Å
247	E	30.5	Very low	40.7	Very low	146 Å²	146	129.7 Å²	129.7	68%	0.682	71%	0.709	S	S	*	*			trans	-76.8	85.4	170.8	-60.8	-168.2	149.3	0	0	109	K245	K245-E247 HydrophobicContact CD-CG 4.06Å; K245-E247 WeakPolarHBondContact CE-OE1 3.45Å; K245-E247 HydrophobicContact CG-CG 4.23Å; K245-E247 IonicContact NZ-OE1 3.77Å; K245-E247 PolarHBondContact NZ-OE1 3.05Å; K245-E247 PolarHBondContact O-N 3.15Å
248	F	41.2	Very low	42.7	Very low	159 Å²	159	124 Å²	124	70%	0.697	67%	0.674	S	S	*	*			trans	-66.1	131.5	160.9	-85.2	-95.7	0	0	0	108.8	L246	L246-F248 VanDerWaalsContact C-N 3.33Å; L246-F248 HydrophobicContact CB-CD2 4.29Å; L246-F248 HydrophobicContact CB-CE2 4.34Å; L246-F248 PolarHBondContact O-N 2.97Å
249	E	35	Very low	45.4	Very low	171 Å²	171	121 Å²	121	80%	0.799	65%	0.646	S	S	*	*			trans	-63	136.3	177	-61.1	172.5	130.1	0	0	110.6	E251	E249-E251 PolarHBondContact O-N 2.88Å
250	D	38.8	Very low	48.3	Very low	127 Å²	127	111.9 Å²	111.9	68%	0.679	60%	0.604	S	S	*	*	G	3₁₀ helix	trans	-71.2	7.4	-172.5	-78	-45.9	0	0	0	114.6	A252 E253	D250-A252 PolarHBondContact O-N 3.43Å; D250-E253 HydrophobicContact CB-CG 4.37Å; D250-E253 WeakPolarHBondContact O-CG 3.37Å; D250-E253 PolarHBondContact O-N 2.95Å; D250-E253 VanDerWaalsContact O-N 3.15Å
251	E	36	Very low	51	Low	188 Å²	188	109.5 Å²	109.5	88%	0.879	58%	0.577	S	S	*	*	G	3₁₀ helix	trans	-57.6	-11.6	173.7	-70.4	-84.6	118.4	0	0	113.6	E249	E249-E251 PolarHBondContact O-N 2.88Å
252	A	42.5	Very low	53.6	Low	74 Å²	74	111.3 Å²	111.3	61%	0.612	56%	0.557	S	S	*	*	G	3₁₀ helix	trans	-88.2	-2.7	177.9	0	0	0	0	0	115.2	D250 D254	D250-A252 PolarHBondContact O-N 3.43Å; A252-D254 VanDerWaalsContact C-N 3.33Å; A252-D254 PolarHBondContact O-N 3.36Å
253	E	44.3	Very low	56.5	Low	109 Å²	109	103.6 Å²	103.6	51%	0.509	52%	0.519	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-27	-169.5	-81.3	-119.7	90.8	0	0	115.8	D250 R262	D250-E253 HydrophobicContact CB-CG 4.37Å; D250-E253 WeakPolarHBondContact O-CG 3.37Å; D250-E253 PolarHBondContact O-N 2.95Å; D250-E253 VanDerWaalsContact O-N 3.15Å; E253-R262 VanDerWaalsContact O-CZ 3.3Å; E253-R262 PolarHBondContact O-NH1 3.32Å; E253-R262 PolarHBondContact O-NH2 3.37Å; E253-R262 IonicContact OE1-CZ 3.66Å; E253-R262 IonicContact OE1-NH2 3.01Å; E253-R262 PolarHBondContact OE1-NH2 3.14Å
254	D	47.3	Very low	59	Low	165 Å²	165	96.5 Å²	96.5	88%	0.882	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.5	5.5	-173.2	-95.3	-18	0	0	0	115.1	A252	A252-D254 VanDerWaalsContact C-N 3.33Å; A252-D254 PolarHBondContact O-N 3.36Å
255	S	59	Low	62.1	Low	61 Å²	61	94.5 Å²	94.5	43%	0.427	47%	0.467	S	S	.	.			trans	-80.4	128.1	175.6	-169.7	0	0	0	0	112.3	S257 G258	S255-S257 WeakPolarHBondContact CB-OG 3.46Å; S255-S257 PolarHBondContact O-N 2.92Å; S255-S257 PolarHBondContact OG-N 3.3Å; S255-S257 PolarHBondContact OG-OG 2.65Å; S255-G258 PolarHBondContact O-N 2.69Å
256	E	63.7	Low	64.9	Low	141 Å²	141	90.9 Å²	90.9	66%	0.659	46%	0.461	S	S	*	.	G	3₁₀ helix	trans	-56.6	-20.4	169.9	-65.8	-169.3	150.9	0	0	112.9	G258 V259 P417	E256-G258 PolarHBondContact O-N 3.14Å; E256-V259 WeakPolarHBondContact O-CG2 3.21Å; E256-P417 WeakPolarHBondContact O-CG 3.5Å
257	S	64	Low	67.7	Low	24 Å²	24	87.6 Å²	87.6	17%	0.168	44%	0.443	C	S	.	.	G	3₁₀ helix	trans	-63.3	-24.9	173.2	68.1	0	0	0	0	113.7	S255 V259	S255-S257 WeakPolarHBondContact CB-OG 3.46Å; S255-S257 PolarHBondContact O-N 2.92Å; S255-S257 PolarHBondContact OG-N 3.3Å; S255-S257 PolarHBondContact OG-OG 2.65Å; S257-V259 PolarHBondContact O-N 3.48Å
258	G	82	Confident	70.9	Confident	14 Å²	14	84.8 Å²	84.8	14%	0.144	43%	0.428	C	S	.	.	G	3₁₀ helix	trans	-82	-2.1	-175.4	0	0	0	0	0	115.8	S255 E256 Y260 M261 R262	S255-G258 PolarHBondContact O-N 2.69Å; E256-G258 PolarHBondContact O-N 3.14Å; G258-Y260 PolarHBondContact O-N 2.95Å; G258-M261 WeakPolarHBondContact O-CB 3.44Å; G258-M261 PolarHBondContact O-N 3.38Å; G258-M261 VanDerWaalsContact O-N 3.12Å; G258-R262 WeakPolarHBondContact O-CB 3.39Å; G258-R262 PolarHBondContact O-N 3.38Å
259	V	89.8	Confident	73.6	Confident	32 Å²	32	77.2 Å²	77.2	19%	0.194	40%	0.395	C	S	.	.	H	α-helix	trans	-54.7	-49.2	-171.5	171.1	0	0	0	0	112.7	E256 S257 R262 F263 M414 P417	E256-V259 WeakPolarHBondContact O-CG2 3.21Å; S257-V259 PolarHBondContact O-N 3.48Å; V259-R262 PolarHBondContact O-N 3.06Å; V259-F263 WeakPolarHBondContact O-CB 3.4Å; V259-F263 PolarHBondContact O-N 3.5Å; V259-M414 HydrophobicContact CG1-CB 4.06Å; V259-M414 HydrophobicContact CG1-CG 4.42Å; V259-M414 HydrophobicContact CG1-SD 3.97Å; V259-P417 HydrophobicContact CB-CG 4.37Å
260	Y	90.8	Very high	76.5	Confident	0 Å²	0	75.8 Å²	75.8	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-71.7	-31.7	179.8	-54.5	-43.6	0	0	0	112.9	G258 M264 L407 M411 M414 P417 F419 M420 L553	G258-Y260 PolarHBondContact O-N 2.95Å; Y260-M264 WeakPolarHBondContact O-CB 3.35Å; Y260-M264 VanDerWaalsContact O-CG 3.29Å; Y260-M264 WeakPolarHBondContact O-CG 3.36Å; Y260-M264 PolarHBondContact O-N 3.27Å; Y260-L407 HydrophobicContact CD1-CD1 4.12Å; Y260-L407 HydrophobicContact CG-CD2 4.5Å; Y260-M411 HydrophobicContact CD1-CG 4.45Å; Y260-M411 HydrophobicContact CE1-CG 3.81Å; Y260-M414 HydrophobicContact CD1-CE 4.02Å; Y260-M414 HydrophobicContact CD1-SD 4.49Å; Y260-M414 HydrophobicContact CE1-CE 4.15Å; Y260-P417 HydrophobicContact CD2-CG 4.28Å; Y260-P417 HydrophobicContact CE2-CG 3.84Å; Y260-P417 WeakPolarHBondContact OH-CD 3.41Å; Y260-F419 HydrophobicContact CD2-CE2 4.42Å; Y260-F419 HydrophobicContact CD2-CZ 4.11Å; Y260-F419 HydrophobicContact CE2-CE2 4.22Å; Y260-F419 HydrophobicContact CE2-CZ 4.21Å; Y260-M420 HydrophobicContact CE2-CG 3.94Å; Y260-M420 HydrophobicContact CE2-SD 3.74Å; Y260-L553 HydrophobicContact CD2-CB 4.49Å; Y260-L553 HydrophobicContact CD2-CD2 4.04Å; Y260-L553 HydrophobicContact CE2-CD2 4.12Å
261	M	90.6	Very high	79.2	Confident	43 Å²	43	72.3 Å²	72.3	21%	0.212	37%	0.365	C	S	.	.	H	α-helix	trans	-64.7	-46.6	172.5	-170.2	-164.8	-68.2	0	0	110.9	G258 F263 M264 R265 F370 I554 P557	G258-M261 WeakPolarHBondContact O-CB 3.44Å; G258-M261 PolarHBondContact O-N 3.38Å; G258-M261 VanDerWaalsContact O-N 3.12Å; M261-F263 PolarHBondContact O-N 3.29Å; M261-M264 PolarHBondContact O-N 2.99Å; M261-R265 WeakPolarHBondContact O-CG 3.3Å; M261-R265 PolarHBondContact O-N 2.81Å; M261-F370 HydrophobicContact CE-CE2 4.39Å; M261-F370 HydrophobicContact CG-CD2 3.68Å; M261-F370 HydrophobicContact CG-CE2 3.58Å; M261-F370 HydrophobicContact SD-CE2 4.03Å; M261-I554 VanDerWaalsContact CE-O 3.31Å; M261-I554 WeakPolarHBondContact CE-O 3.49Å; M261-P557 HydrophobicContact CE-CG 3.97Å
262	R	91.5	Very high	82.1	Confident	124 Å²	124	63.8 Å²	63.8	47%	0.468	33%	0.326	S	S	.	.	H	α-helix	trans	-62	-42.1	177	-178.3	172.6	-85.6	147.8	-6.4	111.4	E253 G258 V259 R265 S266	E253-R262 VanDerWaalsContact O-CZ 3.3Å; E253-R262 PolarHBondContact O-NH1 3.32Å; E253-R262 PolarHBondContact O-NH2 3.37Å; E253-R262 IonicContact OE1-CZ 3.66Å; E253-R262 IonicContact OE1-NH2 3.01Å; E253-R262 PolarHBondContact OE1-NH2 3.14Å; G258-R262 WeakPolarHBondContact O-CB 3.39Å; G258-R262 PolarHBondContact O-N 3.38Å; V259-R262 PolarHBondContact O-N 3.06Å; R262-R265 PolarHBondContact O-N 3.41Å; R262-S266 WeakPolarHBondContact O-CB 3.49Å; R262-S266 PolarHBondContact O-N 3.04Å; R262-S266 PolarHBondContact O-OG 3.25Å
263	F	93.4	Very high	84.6	Confident	17 Å²	17	61.7 Å²	61.7	8%	0.075	31%	0.305	C	S	.	.	H	α-helix	trans	-59.5	-45.3	172.5	177	-84.2	0	0	0	112.4	V259 M261 S266 H267 F406 L407 F410 M414	V259-F263 WeakPolarHBondContact O-CB 3.4Å; V259-F263 PolarHBondContact O-N 3.5Å; M261-F263 PolarHBondContact O-N 3.29Å; F263-S266 PolarHBondContact O-N 3.23Å; F263-S266 PolarHBondContact O-OG 3.16Å; F263-H267 AromaticContact CD1-ND1 3.88Å; F263-H267 AromaticContact CD2-CE1 3.51Å; F263-H267 AromaticContact CD2-ND1 3.75Å; F263-H267 AromaticContact CE1-ND1 3.69Å; F263-H267 AromaticContact CE2-CE1 3.14Å; F263-H267 WeakPolarHBondContact CE2-CE1 3.45Å; F263-H267 AromaticContact CE2-ND1 3.57Å; F263-H267 AromaticContact CE2-NE2 3.99Å; F263-H267 AromaticContact CG-ND1 3.89Å; F263-H267 AromaticContact CZ-CE1 3.45Å; F263-H267 VanDerWaalsContact CZ-CE1 3.45Å; F263-H267 WeakPolarHBondContact CZ-CE1 3.16Å; F263-H267 AromaticContact CZ-ND1 3.51Å; F263-H267 PolarHBondContact O-N 3.21Å; F263-H267 PolarHBondContact O-ND1 3.37Å; F263-F406 HydrophobicContact CE1-CD1 4.07Å; F263-F406 AromaticContact CE1-CE1 3.82Å; F263-F406 HydrophobicContact CE1-CE1 3.82Å; F263-F406 HydrophobicContact CZ-CD1 4.28Å; F263-F406 AromaticContact CZ-CE1 3.78Å; F263-F406 HydrophobicContact CZ-CE1 3.78Å; F263-L407 HydrophobicContact CD1-CD1 3.52Å; F263-L407 HydrophobicContact CE1-CD1 3.82Å; F263-L407 HydrophobicContact CG-CD1 4.22Å; F263-F410 HydrophobicContact CE1-CD2 4.49Å; F263-F410 HydrophobicContact CE2-CB 3.71Å; F263-F410 AromaticContact CE2-CD2 3.89Å; F263-F410 HydrophobicContact CE2-CD2 3.89Å; F263-F410 AromaticContact CE2-CG 3.9Å; F263-F410 HydrophobicContact CE2-CG 3.9Å; F263-F410 HydrophobicContact CZ-CB 3.98Å; F263-F410 AromaticContact CZ-CD2 3.42Å; F263-F410 HydrophobicContact CZ-CD2 3.42Å; F263-F410 VanDerWaalsContact CZ-CD2 3.42Å; F263-F410 HydrophobicContact CZ-CE2 4.15Å; F263-F410 AromaticContact CZ-CG 3.92Å; F263-F410 HydrophobicContact CZ-CG 3.92Å; F263-M414 HydrophobicContact CB-CE 4.34Å; F263-M414 HydrophobicContact CB-SD 3.82Å; F263-M414 HydrophobicContact CD1-CE 4.46Å; F263-M414 HydrophobicContact CD2-CE 3.66Å; F263-M414 HydrophobicContact CD2-SD 3.46Å; F263-M414 WeakPolarHBondContact CD2-SD 3.39Å; F263-M414 HydrophobicContact CE2-CE 4.07Å; F263-M414 HydrophobicContact CE2-SD 4.3Å; F263-M414 HydrophobicContact CG-CE 3.89Å; F263-M414 HydrophobicContact CG-SD 3.82Å
264	M	94.6	Very high	87	Confident	0 Å²	0	58 Å²	58	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-71.9	-27.3	179.8	-72.1	-62.7	-162.4	0	0	113.4	Y260 M261 L369 F370 I403 L407 I554	Y260-M264 WeakPolarHBondContact O-CB 3.35Å; Y260-M264 VanDerWaalsContact O-CG 3.29Å; Y260-M264 WeakPolarHBondContact O-CG 3.36Å; Y260-M264 PolarHBondContact O-N 3.27Å; M261-M264 PolarHBondContact O-N 2.99Å; M264-L369 HydrophobicContact CB-CB 4.38Å; M264-L369 PolarHBondContact O-N 3.26Å; M264-L369 VanDerWaalsContact O-N 3.13Å; M264-L369 HydrophobicContact SD-CB 3.53Å; M264-L369 VanDerWaalsContact SD-CB 3.53Å; M264-L369 HydrophobicContact SD-CD1 3.92Å; M264-L369 HydrophobicContact SD-CG 4.39Å; M264-F370 HydrophobicContact CB-CB 4.07Å; M264-F370 PolarHBondContact O-N 2.72Å; M264-I403 HydrophobicContact CE-CG2 3.41Å; M264-I403 VanDerWaalsContact CE-CG2 3.41Å; M264-I403 HydrophobicContact SD-CG2 4.31Å; M264-L407 HydrophobicContact CE-CB 3.78Å; M264-L407 HydrophobicContact CE-CD1 4.06Å; M264-L407 HydrophobicContact CE-CD2 4.09Å; M264-L407 HydrophobicContact CE-CG 4.17Å; M264-I554 HydrophobicContact CB-CG2 4.2Å; M264-I554 HydrophobicContact CE-CD1 3.66Å; M264-I554 HydrophobicContact CG-CD1 3.85Å; M264-I554 HydrophobicContact CG-CG1 4.09Å; M264-I554 HydrophobicContact CG-CG2 4.24Å
265	R	95	Very high	89.2	Confident	124 Å²	124	56.1 Å²	56.1	47%	0.468	29%	0.285	S	S	.	.	H	α-helix	trans	-75.2	-28.2	171	-73.7	-176.8	178.7	-166.7	2.1	112.7	M261 R262 F370	M261-R265 WeakPolarHBondContact O-CG 3.3Å; M261-R265 PolarHBondContact O-N 2.81Å; R262-R265 PolarHBondContact O-N 3.41Å; R265-F370 HydrophobicContact CG-CB 3.66Å; R265-F370 HydrophobicContact CG-CD1 4.24Å; R265-F370 HydrophobicContact CG-CD2 4.16Å; R265-F370 HydrophobicContact CG-CG 3.76Å
266	S	94.6	Very high	91	Very high	81 Å²	81	58.5 Å²	58.5	57%	0.566	30%	0.302	S	S	*	.	H	α-helix	trans	-83.9	-16.9	-179.3	69.2	0	0	0	0	115	R262 F263	R262-S266 WeakPolarHBondContact O-CB 3.49Å; R262-S266 PolarHBondContact O-N 3.04Å; R262-S266 PolarHBondContact O-OG 3.25Å; F263-S266 PolarHBondContact O-N 3.23Å; F263-S266 PolarHBondContact O-OG 3.16Å
267	H	96.3	Very high	92.4	Very high	40 Å²	40	54.4 Å²	54.4	19%	0.185	29%	0.289	C	S	.	.	S	Bend	trans	-105.7	144.3	179.3	-68.1	91.1	0	0	0	111.7	F263 D271 S368 L369 F406	F263-H267 AromaticContact CD1-ND1 3.88Å; F263-H267 AromaticContact CD2-CE1 3.51Å; F263-H267 AromaticContact CD2-ND1 3.75Å; F263-H267 AromaticContact CE1-ND1 3.69Å; F263-H267 AromaticContact CE2-CE1 3.14Å; F263-H267 WeakPolarHBondContact CE2-CE1 3.45Å; F263-H267 AromaticContact CE2-ND1 3.57Å; F263-H267 AromaticContact CE2-NE2 3.99Å; F263-H267 AromaticContact CG-ND1 3.89Å; F263-H267 AromaticContact CZ-CE1 3.45Å; F263-H267 VanDerWaalsContact CZ-CE1 3.45Å; F263-H267 WeakPolarHBondContact CZ-CE1 3.16Å; F263-H267 AromaticContact CZ-ND1 3.51Å; F263-H267 PolarHBondContact O-N 3.21Å; F263-H267 PolarHBondContact O-ND1 3.37Å; H267-D271 WeakPolarHBondContact CA-OD2 3.31Å; H267-D271 IonicContact CD2-OD2 3.43Å; H267-S368 CarbonylContact O-C 3.56Å; H267-S368 VanDerWaalsContact O-CA 3.3Å; H267-S368 WeakPolarHBondContact O-CA 3.49Å; H267-L369 HydrophobicContact CB-CD1 3.79Å; H267-L369 HydrophobicContact CB-CG 4.2Å; H267-L369 PolarHBondContact O-N 3.16Å; H267-F406 HydrophobicContact CB-CE1 4.34Å
268	K	97.8	Very high	93.8	Very high	86 Å²	86	59.3 Å²	59.3	37%	0.374	31%	0.307	S	S	.	.	B	Isolated β-bridge	trans	-90.7	159.3	-178.5	-72.6	-177.4	165.7	-174	0	112.7	Y270 D271 D366 A367 L369	K268-Y270 PolarHBondContact O-N 3.09Å; K268-D271 PolarHBondContact N-OD2 3.15Å; K268-D271 PolarHBondContact O-N 3.37Å; K268-D271 VanDerWaalsContact O-N 3.09Å; K268-D366 WeakPolarHBondContact CE-OD1 3.25Å; K268-D366 IonicContact NZ-OD1 2.98Å; K268-D366 PolarHBondContact NZ-OD1 3.4Å; K268-A367 CarbonylContact C-O 3.58Å; K268-A367 WeakPolarHBondContact CA-O 3.47Å; K268-L369 WeakPolarHBondContact O-CD2 3.14Å
269	C	97.8	Very high	94.5	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-23.3	168.9	-70.6	0	0	0	0	113.2	I272 V273 I363 S364 P365 A367 S368 L398	C269-I272 VanDerWaalsContact O-CG2 3.24Å; C269-I272 WeakPolarHBondContact O-CG2 3.32Å; C269-V273 WeakPolarHBondContact O-CG2 3.46Å; C269-I363 VanDerWaalsContact SG-CD1 3.58Å; C269-S364 WeakPolarHBondContact CB-O 3.34Å; C269-P365 PolarHBondContact N-O 2.89Å; C269-A367 PolarHBondContact N-O 3.13Å; C269-A367 PolarHBondContact SG-O 2.95Å; C269-S368 PolarHBondContact SG-O 3.3Å; C269-L398 HydrophobicContact CB-CD1 4.1Å
270	Y	96.8	Very high	94.8	Very high	141 Å²	141	60.6 Å²	60.6	55%	0.553	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-35.9	172.7	-168.3	-98.7	0	0	0	113.7	K268 I272 V273 P365	K268-Y270 PolarHBondContact O-N 3.09Å; Y270-I272 PolarHBondContact O-N 2.8Å; Y270-V273 WeakPolarHBondContact O-CB 3.41Å; Y270-V273 PolarHBondContact O-N 2.82Å; Y270-P365 HydrophobicContact CD2-CB 4.14Å; Y270-P365 PolarHBondContact N-O 3.19Å
271	D	96.2	Very high	95.2	Very high	54 Å²	54	63.5 Å²	63.5	29%	0.289	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-16.4	-169.9	-55.8	-18.7	0	0	0	113.7	H267 K268 F406	H267-D271 WeakPolarHBondContact CA-OD2 3.31Å; H267-D271 IonicContact CD2-OD2 3.43Å; K268-D271 PolarHBondContact N-OD2 3.15Å; K268-D271 PolarHBondContact O-N 3.37Å; K268-D271 VanDerWaalsContact O-N 3.09Å; D271-F406 HydrophobicContact CB-CZ 4.25Å; D271-F406 WeakPolarHBondContact O-CE2 3.15Å
272	I	95.7	Very high	95.5	Very high	10 Å²	10	62.1 Å²	62.1	5%	0.051	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	-5.2	179	-173.8	169.4	0	0	0	112.7	C269 Y270 P274 L369 L398 R402 I403 F406	C269-I272 VanDerWaalsContact O-CG2 3.24Å; C269-I272 WeakPolarHBondContact O-CG2 3.32Å; Y270-I272 PolarHBondContact O-N 2.8Å; I272-P274 WeakPolarHBondContact O-CD 3.11Å; I272-L369 HydrophobicContact CB-CD2 4.47Å; I272-L369 HydrophobicContact CG2-CD2 3.7Å; I272-L398 HydrophobicContact CD1-CD2 4.32Å; I272-L398 HydrophobicContact CG2-CD2 3.46Å; I272-L398 VanDerWaalsContact CG2-CD2 3.46Å; I272-R402 HydrophobicContact CD1-CB 4.25Å; I272-I403 HydrophobicContact CD1-CB 4.39Å; I272-I403 HydrophobicContact CD1-CG1 3.93Å; I272-F406 HydrophobicContact CB-CD2 4.02Å; I272-F406 HydrophobicContact CB-CE2 4.3Å; I272-F406 HydrophobicContact CB-CG 4.33Å; I272-F406 HydrophobicContact CD1-CB 3.6Å; I272-F406 HydrophobicContact CD1-CD2 4.41Å; I272-F406 HydrophobicContact CD1-CG 4Å; I272-F406 HydrophobicContact CG1-CB 4.03Å; I272-F406 HydrophobicContact CG1-CD2 4.01Å; I272-F406 HydrophobicContact CG1-CG 4.12Å
273	V	94.8	Very high	95.8	Very high	30 Å²	30	58.1 Å²	58.1	18%	0.182	31%	0.308	C	S	.	.	S	Bend	trans	-73.9	123.8	175	-179.7	0	0	0	0	108.7	C269 Y270 Y396	C269-V273 WeakPolarHBondContact O-CG2 3.46Å; Y270-V273 WeakPolarHBondContact O-CB 3.41Å; Y270-V273 PolarHBondContact O-N 2.82Å; V273-Y396 HydrophobicContact CG1-CG 4.29Å; V273-Y396 HydrophobicContact CG2-CD1 4.17Å; V273-Y396 HydrophobicContact CG2-CG 4.23Å
274	P	94.8	Very high	95.9	Very high	31 Å²	31	57.6 Å²	57.6	20%	0.201	31%	0.306	C	S	.	.			trans	-64.1	144.6	178.5	-21.4	33.5	0	0	0	112.3	I272 S276 Y396	I272-P274 WeakPolarHBondContact O-CD 3.11Å; P274-S276 PolarHBondContact O-N 2.99Å; P274-Y396 HydrophobicContact CG-CE2 4.11Å
275	T	94.8	Very high	96	Very high	126 Å²	126	60.7 Å²	60.7	77%	0.773	33%	0.325	S	S	*	.	S	Bend	trans	-49.5	-28.9	178.5	-39.2	0	0	0	0	113.9
276	S	95.4	Very high	96.1	Very high	111 Å²	111	57.3 Å²	57.3	78%	0.776	32%	0.316	S	S	*	.	S	Bend	trans	-141.7	138	165	-171.2	0	0	0	0	109.7	P274	P274-S276 PolarHBondContact O-N 2.99Å
277	S	93.2	Very high	96.1	Very high	55 Å²	55	56.6 Å²	56.6	39%	0.385	30%	0.304	S	S	.	.			trans	-149.9	154.5	174.8	78.9	0	0	0	0	111.9
278	K	94.4	Very high	96	Very high	127 Å²	127	54.7 Å²	54.7	55%	0.552	30%	0.295	S	S	*	.			trans	-97.9	118.3	174.2	-177.6	-179.6	67.5	171.3	0	109.6	N298	K278-N298 PolarHBondContact NZ-O 2.95Å; K278-N298 PolarHBondContact NZ-OD1 2.82Å
279	L	95.6	Very high	95.7	Very high	55 Å²	55	52.9 Å²	52.9	29%	0.288	29%	0.287	S	S	.	.			trans	-101.6	135	167.8	-171	64.5	0	0	0	110	V281 P304 A394 I397	L279-V281 HydrophobicContact CD2-CG2 4.08Å; L279-V281 HydrophobicContact CG-CG2 4.15Å; L279-P304 HydrophobicContact CD1-CG 4.16Å; L279-P304 HydrophobicContact CD2-CG 4.46Å; L279-A394 HydrophobicContact CD2-CB 3.68Å; L279-A394 WeakPolarHBondContact CD2-O 3.46Å; L279-I397 HydrophobicContact CD1-CD1 3.73Å; L279-I397 HydrophobicContact CD1-CG1 3.8Å
280	V	97.3	Very high	95.5	Very high	18 Å²	18	58.6 Å²	58.6	11%	0.109	31%	0.312	C	S	.	.			trans	-108.1	126.7	171.5	178.7	0	0	0	0	107.5	F282 N298 V300 A303 P304	V280-F282 HydrophobicContact CG1-CD1 4.2Å; V280-F282 HydrophobicContact CG1-CE1 3.49Å; V280-F282 VanDerWaalsContact CG1-CE1 3.49Å; V280-F282 HydrophobicContact CG1-CZ 3.75Å; V280-N298 HydrophobicContact CG2-CB 3.86Å; V280-V300 HydrophobicContact CB-CG2 4.18Å; V280-V300 HydrophobicContact CG2-CG1 4.27Å; V280-V300 HydrophobicContact CG2-CG2 3.94Å; V280-A303 HydrophobicContact CG1-CB 4.44Å; V280-A303 WeakPolarHBondContact O-CA 3.45Å; V280-A303 VanDerWaalsContact O-CB 3.23Å; V280-A303 WeakPolarHBondContact O-CB 3.27Å; V280-P304 WeakPolarHBondContact O-CD 3.33Å
281	V	97.6	Very high	95.5	Very high	61 Å²	61	51.9 Å²	51.9	37%	0.37	29%	0.286	S	S	.	.			trans	-121.8	142	177.7	175.2	0	0	0	0	108.1	L279 P304 W306 F313	L279-V281 HydrophobicContact CD2-CG2 4.08Å; L279-V281 HydrophobicContact CG-CG2 4.15Å; V281-P304 HydrophobicContact CG2-CB 4.48Å; V281-P304 HydrophobicContact CG2-CG 4.38Å; V281-W306 HydrophobicContact CG1-CB 3.84Å; V281-F313 HydrophobicContact CG1-CE1 3.8Å; V281-F313 HydrophobicContact CG2-CE1 4.1Å; V281-F313 HydrophobicContact CG2-CZ 4.49Å
282	F	97.9	Very high	95.4	Very high	13 Å²	13	49.3 Å²	49.3	6%	0.057	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	138.1	173.4	-56.6	-44.6	0	0	0	111.1	V280 L286 A291 A294 L295 A303 P304 L305 W306 L317 I345	V280-F282 HydrophobicContact CG1-CD1 4.2Å; V280-F282 HydrophobicContact CG1-CE1 3.49Å; V280-F282 VanDerWaalsContact CG1-CE1 3.49Å; V280-F282 HydrophobicContact CG1-CZ 3.75Å; F282-L286 HydrophobicContact CB-CD2 3.98Å; F282-L286 HydrophobicContact CD1-CD2 3.65Å; F282-L286 HydrophobicContact CE1-CD2 4.29Å; F282-L286 HydrophobicContact CG-CD2 3.85Å; F282-A291 HydrophobicContact CD2-CB 3.9Å; F282-A291 HydrophobicContact CE2-CB 3.89Å; F282-A291 HydrophobicContact CG-CB 4.44Å; F282-A291 HydrophobicContact CZ-CB 4.42Å; F282-A291 VanDerWaalsContact CZ-O 3.31Å; F282-A291 WeakPolarHBondContact CZ-O 3.21Å; F282-A294 HydrophobicContact CE1-CB 3.71Å; F282-A294 HydrophobicContact CZ-CB 3.77Å; F282-L295 HydrophobicContact CE2-CD2 3.68Å; F282-L295 HydrophobicContact CE2-CG 3.81Å; F282-L295 HydrophobicContact CZ-CD2 3.86Å; F282-L295 HydrophobicContact CZ-CG 4Å; F282-A303 HydrophobicContact CD2-CB 3.64Å; F282-A303 HydrophobicContact CE2-CB 3.57Å; F282-A303 HydrophobicContact CG-CB 4.34Å; F282-A303 HydrophobicContact CZ-CB 4.21Å; F282-P304 PolarHBondContact N-O 3.11Å; F282-P304 VanDerWaalsContact N-O 3.12Å; F282-L305 HydrophobicContact CB-CD2 3.98Å; F282-L305 HydrophobicContact CD2-CD2 4.47Å; F282-L305 WeakPolarHBondContact O-CA 3.46Å; F282-W306 PolarHBondContact O-N 3Å; F282-L317 HydrophobicContact CD2-CD2 4Å; F282-L317 HydrophobicContact CE2-CD2 4.09Å; F282-I345 HydrophobicContact CB-CD1 3.84Å; F282-I345 HydrophobicContact CD2-CD1 4.32Å; F282-I345 HydrophobicContact CG-CD1 4.41Å
283	D	97.6	Very high	95.3	Very high	40 Å²	40	51.7 Å²	51.7	21%	0.214	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	141.3	165.4	-176.4	-87	0	0	0	109.9	T285 L286 W306 S308	D283-T285 PolarHBondContact O-N 3.3Å; D283-T285 VanDerWaalsContact O-N 3.11Å; D283-T285 VanDerWaalsContact OD1-CB 3.27Å; D283-T285 WeakPolarHBondContact OD1-CB 3.3Å; D283-T285 WeakPolarHBondContact OD1-CG2 3.3Å; D283-T285 PolarHBondContact OD1-N 3.1Å; D283-T285 PolarHBondContact OD1-OG1 2.9Å; D283-L286 VanDerWaalsContact O-CB 3.25Å; D283-L286 WeakPolarHBondContact O-CB 3.45Å; D283-L286 PolarHBondContact O-N 3.5Å; D283-W306 CarbonylContact C-O 3.55Å; D283-W306 VanDerWaalsContact CA-O 3.3Å; D283-W306 WeakPolarHBondContact CA-O 3.39Å; D283-S308 VanDerWaalsContact OD2-CB 3.24Å; D283-S308 WeakPolarHBondContact OD2-CB 3.33Å; D283-S308 PolarHBondContact OD2-N 3.22Å; D283-S308 PolarHBondContact OD2-OG 3.22Å
284	T	96.1	Very high	95.3	Very high	6 Å²	6	51.7 Å²	51.7	4%	0.037	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-18.6	-177.9	53.7	0	0	0	0	114.1	L286 L305 W306 E307 V314 I345 E346	T284-L286 VanDerWaalsContact C-N 3.28Å; T284-L286 PolarHBondContact O-N 2.89Å; T284-L305 HydrophobicContact CG2-CB 4.35Å; T284-W306 PolarHBondContact N-O 3.08Å; T284-E307 HydrophobicContact CG2-CB 4.26Å; T284-V314 HydrophobicContact CG2-CG2 3.75Å; T284-I345 CarbonylContact O-C 3.13Å; T284-I345 WeakPolarHBondContact O-CB 3.24Å; T284-I345 PolarHBondContact O-N 3.3Å; T284-E346 PolarHBondContact O-N 3.33Å
285	T	96.1	Very high	95.3	Very high	66 Å²	66	50.2 Å²	50.2	41%	0.405	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-7.9	175.6	66.4	0	0	0	0	114.1	D283 K344	D283-T285 PolarHBondContact O-N 3.3Å; D283-T285 VanDerWaalsContact O-N 3.11Å; D283-T285 VanDerWaalsContact OD1-CB 3.27Å; D283-T285 WeakPolarHBondContact OD1-CB 3.3Å; D283-T285 WeakPolarHBondContact OD1-CG2 3.3Å; D283-T285 PolarHBondContact OD1-N 3.1Å; D283-T285 PolarHBondContact OD1-OG1 2.9Å; T285-K344 WeakPolarHBondContact O-CD 3.48Å; T285-K344 WeakPolarHBondContact O-CG 3.45Å
286	L	96.8	Very high	95.1	Very high	52 Å²	52	46.5 Å²	46.5	27%	0.272	25%	0.253	S	S	.	.	S	Bend	trans	-66.5	142.1	178.1	-176.8	62.6	0	0	0	111.8	F282 D283 T284 K290 A291 K344 I345	F282-L286 HydrophobicContact CB-CD2 3.98Å; F282-L286 HydrophobicContact CD1-CD2 3.65Å; F282-L286 HydrophobicContact CE1-CD2 4.29Å; F282-L286 HydrophobicContact CG-CD2 3.85Å; D283-L286 VanDerWaalsContact O-CB 3.25Å; D283-L286 WeakPolarHBondContact O-CB 3.45Å; D283-L286 PolarHBondContact O-N 3.5Å; T284-L286 VanDerWaalsContact C-N 3.28Å; T284-L286 PolarHBondContact O-N 2.89Å; L286-K290 HydrophobicContact CD1-CB 4.11Å; L286-A291 HydrophobicContact CD2-CB 3.94Å; L286-A291 HydrophobicContact CG-CB 4.42Å; L286-K344 CarbonylContact O-C 3.52Å; L286-K344 VanDerWaalsContact O-CA 3.31Å; L286-K344 WeakPolarHBondContact O-CA 3.39Å; L286-I345 HydrophobicContact CB-CD1 4.11Å; L286-I345 PolarHBondContact O-N 2.98Å
287	Q	95.6	Very high	95	Very high	66 Å²	66	45.3 Å²	45.3	31%	0.308	25%	0.25	S	C	.	.	B	Isolated β-bridge	trans	-67.1	138.9	174.4	-71	176.7	-65.1	0	0	112	K289 K290 A291 E341 H343	Q287-K289 PolarHBondContact O-N 3.12Å; Q287-K290 HydrophobicContact CB-CB 4.37Å; Q287-K290 HydrophobicContact CB-CD 4.25Å; Q287-K290 HydrophobicContact CB-CG 4.34Å; Q287-K290 WeakPolarHBondContact O-CB 3.31Å; Q287-K290 PolarHBondContact O-N 2.81Å; Q287-K290 VanDerWaalsContact O-N 3.12Å; Q287-K290 VanDerWaalsContact OE1-CE 3.25Å; Q287-A291 PolarHBondContact O-N 3.25Å; Q287-E341 PolarHBondContact NE2-O 2.97Å; Q287-H343 CarbonylContact C-O 3.57Å; Q287-H343 WeakPolarHBondContact CA-O 3.39Å
288	V	93.6	Very high	95.1	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.006	25%	0.247	C	C	.	.	H	α-helix	trans	-63.9	-46.9	-171.2	178.3	0	0	0	0	112.2	K290 A291 F292 I325 L340 H343 K344 I345 W348	V288-K290 VanDerWaalsContact C-N 3.3Å; V288-K290 PolarHBondContact O-N 3.08Å; V288-A291 WeakPolarHBondContact O-CB 3.37Å; V288-A291 PolarHBondContact O-N 3.17Å; V288-A291 VanDerWaalsContact O-N 3.1Å; V288-F292 HydrophobicContact CG1-CD2 3.75Å; V288-F292 HydrophobicContact CG1-CE2 3.33Å; V288-F292 HydrophobicContact CG1-CZ 4.35Å; V288-F292 WeakPolarHBondContact O-CD2 3.2Å; V288-F292 PolarHBondContact O-N 3.36Å; V288-I325 HydrophobicContact CG1-CD1 3.55Å; V288-L340 HydrophobicContact CG1-CD1 3.86Å; V288-H343 HydrophobicContact CG2-CB 4.14Å; V288-H343 WeakPolarHBondContact CG2-O 3.48Å; V288-H343 PolarHBondContact N-O 3.03Å; V288-K344 WeakPolarHBondContact CG2-O 3.34Å; V288-I345 HydrophobicContact CG2-CG1 4.33Å; V288-W348 HydrophobicContact CG2-CB 4.13Å
289	K	92.1	Very high	94.9	Very high	48 Å²	48	42.8 Å²	42.8	21%	0.209	25%	0.254	C	S	.	.	H	α-helix	trans	-52.1	-44.6	171.3	174.4	169.9	178.1	171.6	0	113	Q287 F292 F293 L340 E341 Y486	Q287-K289 PolarHBondContact O-N 3.12Å; K289-F292 PolarHBondContact O-N 2.88Å; K289-F293 HydrophobicContact CD-CZ 4.35Å; K289-F293 HydrophobicContact CG-CE1 4.19Å; K289-F293 HydrophobicContact CG-CE2 4.13Å; K289-F293 HydrophobicContact CG-CZ 3.94Å; K289-F293 WeakPolarHBondContact O-CD1 3.42Å; K289-F293 WeakPolarHBondContact O-CG 3.41Å; K289-F293 PolarHBondContact O-N 3.02Å; K289-F293 VanDerWaalsContact O-N 3.07Å; K289-L340 VanDerWaalsContact CB-O 3.28Å; K289-L340 WeakPolarHBondContact CB-O 3.34Å; K289-L340 PolarHBondContact N-O 3.33Å; K289-E341 VanDerWaalsContact CD-CD 3.49Å; K289-E341 HydrophobicContact CD-CG 4.46Å; K289-E341 WeakPolarHBondContact CD-OE1 3.37Å; K289-E341 WeakPolarHBondContact CD-OE2 3.39Å; K289-E341 WeakPolarHBondContact CE-OE1 3.49Å; K289-E341 IonicContact NZ-OE1 3.78Å; K289-E341 PolarHBondContact NZ-OE1 3.06Å; K289-E341 IonicContact NZ-OE2 2.81Å; K289-E341 PolarHBondContact NZ-OE2 2.84Å; K289-Y486 VanDerWaalsContact CE-OH 3.28Å; K289-Y486 WeakPolarHBondContact CE-OH 3.26Å; K289-Y486 PolarHBondContact NZ-OH 2.68Å; K289-Y486 VanDerWaalsContact NZ-OH 3.15Å
290	K	94.3	Very high	94.8	Very high	119 Å²	119	41.8 Å²	41.8	52%	0.517	25%	0.25	S	S	.	.	H	α-helix	trans	-66.6	-37.5	178.1	-70.9	178.8	178.4	158.7	0	111.9	L286 Q287 V288 A294	L286-K290 HydrophobicContact CD1-CB 4.11Å; Q287-K290 HydrophobicContact CB-CB 4.37Å; Q287-K290 HydrophobicContact CB-CD 4.25Å; Q287-K290 HydrophobicContact CB-CG 4.34Å; Q287-K290 WeakPolarHBondContact O-CB 3.31Å; Q287-K290 PolarHBondContact O-N 2.81Å; Q287-K290 VanDerWaalsContact O-N 3.12Å; Q287-K290 VanDerWaalsContact OE1-CE 3.25Å; V288-K290 VanDerWaalsContact C-N 3.3Å; V288-K290 PolarHBondContact O-N 3.08Å; K290-A294 VanDerWaalsContact O-CB 3.25Å; K290-A294 WeakPolarHBondContact O-CB 3.49Å; K290-A294 PolarHBondContact O-N 2.96Å
291	A	95.6	Very high	94.5	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-64.3	-45.3	177	0	0	0	0	0	112.1	F282 L286 Q287 V288 A294 L295 L317 I345	F282-A291 HydrophobicContact CD2-CB 3.9Å; F282-A291 HydrophobicContact CE2-CB 3.89Å; F282-A291 HydrophobicContact CG-CB 4.44Å; F282-A291 HydrophobicContact CZ-CB 4.42Å; F282-A291 VanDerWaalsContact CZ-O 3.31Å; F282-A291 WeakPolarHBondContact CZ-O 3.21Å; L286-A291 HydrophobicContact CD2-CB 3.94Å; L286-A291 HydrophobicContact CG-CB 4.42Å; Q287-A291 PolarHBondContact O-N 3.25Å; V288-A291 WeakPolarHBondContact O-CB 3.37Å; V288-A291 PolarHBondContact O-N 3.17Å; V288-A291 VanDerWaalsContact O-N 3.1Å; A291-A294 PolarHBondContact O-N 3.46Å; A291-L295 WeakPolarHBondContact O-CG 3.44Å; A291-L295 PolarHBondContact O-N 3.41Å; A291-L317 HydrophobicContact CB-CD2 3.59Å; A291-I345 HydrophobicContact CB-CD1 3.83Å; A291-I345 HydrophobicContact CB-CG1 4.34Å
292	F	94.4	Very high	94.3	Very high	1 Å²	1	42.1 Å²	42.1	0%	0.004	24%	0.244	C	C	.	.	H	α-helix	trans	-66.8	-40	176.3	-69.2	-57.7	0	0	0	113	V288 K289 A294 L295 V296 L317 D321 F322 I325 L340 I478 A481	V288-F292 HydrophobicContact CG1-CD2 3.75Å; V288-F292 HydrophobicContact CG1-CE2 3.33Å; V288-F292 HydrophobicContact CG1-CZ 4.35Å; V288-F292 WeakPolarHBondContact O-CD2 3.2Å; V288-F292 PolarHBondContact O-N 3.36Å; K289-F292 PolarHBondContact O-N 2.88Å; F292-A294 VanDerWaalsContact C-N 3.29Å; F292-A294 PolarHBondContact O-N 2.72Å; F292-L295 HydrophobicContact CD1-CD1 3.95Å; F292-L295 HydrophobicContact CE1-CD1 4.32Å; F292-L295 WeakPolarHBondContact O-CB 3.42Å; F292-L295 PolarHBondContact O-N 2.95Å; F292-V296 PolarHBondContact O-N 3.05Å; F292-V296 VanDerWaalsContact O-N 3.12Å; F292-L317 HydrophobicContact CE1-CD1 4.16Å; F292-L317 HydrophobicContact CE1-CD2 4.07Å; F292-L317 HydrophobicContact CE1-CG 3.97Å; F292-L317 HydrophobicContact CZ-CD1 3.83Å; F292-L317 HydrophobicContact CZ-CD2 4.27Å; F292-L317 HydrophobicContact CZ-CG 4.15Å; F292-D321 HydrophobicContact CZ-CB 4.21Å; F292-F322 HydrophobicContact CD1-CB 4.03Å; F292-F322 HydrophobicContact CD1-CD2 4.34Å; F292-F322 HydrophobicContact CD1-CG 4.32Å; F292-F322 HydrophobicContact CD2-CB 4.42Å; F292-F322 AromaticContact CD2-CD2 3.55Å; F292-F322 HydrophobicContact CD2-CD2 3.55Å; F292-F322 HydrophobicContact CD2-CE2 4.21Å; F292-F322 HydrophobicContact CD2-CG 4.29Å; F292-F322 HydrophobicContact CE1-CB 3.62Å; F292-F322 HydrophobicContact CE1-CG 4.36Å; F292-F322 HydrophobicContact CE2-CB 3.97Å; F292-F322 AromaticContact CE2-CD2 3.67Å; F292-F322 HydrophobicContact CE2-CD2 3.67Å; F292-F322 HydrophobicContact CE2-CG 4.26Å; F292-F322 HydrophobicContact CG-CB 4.45Å; F292-F322 AromaticContact CG-CD2 3.92Å; F292-F322 HydrophobicContact CG-CD2 3.92Å; F292-F322 HydrophobicContact CG-CG 4.34Å; F292-F322 HydrophobicContact CZ-CB 3.59Å; F292-F322 HydrophobicContact CZ-CD2 4.19Å; F292-F322 HydrophobicContact CZ-CG 4.32Å; F292-I325 HydrophobicContact CE2-CD1 3.69Å; F292-I325 HydrophobicContact CZ-CD1 4.14Å; F292-L340 HydrophobicContact CD2-CD1 4.19Å; F292-L340 HydrophobicContact CE2-CD1 4.4Å; F292-I478 HydrophobicContact CD1-CD1 4.07Å; F292-A481 HydrophobicContact CB-CB 4.49Å
293	F	93	Very high	94.3	Very high	60 Å²	60	41.5 Å²	41.5	26%	0.263	24%	0.241	S	C	.	.	H	α-helix	trans	-62.6	-37.7	172.9	-71.7	9.5	0	0	0	111.5	K289 V296 A297 A481 K484 Y486	K289-F293 HydrophobicContact CD-CZ 4.35Å; K289-F293 HydrophobicContact CG-CE1 4.19Å; K289-F293 HydrophobicContact CG-CE2 4.13Å; K289-F293 HydrophobicContact CG-CZ 3.94Å; K289-F293 WeakPolarHBondContact O-CD1 3.42Å; K289-F293 WeakPolarHBondContact O-CG 3.41Å; K289-F293 PolarHBondContact O-N 3.02Å; K289-F293 VanDerWaalsContact O-N 3.07Å; F293-V296 PolarHBondContact O-N 3.15Å; F293-A297 WeakPolarHBondContact O-CB 3.26Å; F293-A297 PolarHBondContact O-N 3.45Å; F293-A481 WeakPolarHBondContact CE1-O 3.4Å; F293-K484 HydrophobicContact CE1-CG 4.48Å; F293-K484 HydrophobicContact CZ-CD 4.45Å; F293-K484 HydrophobicContact CZ-CG 3.89Å; F293-Y486 HydrophobicContact CE1-CE1 4.08Å; F293-Y486 HydrophobicContact CZ-CE1 4.19Å
294	A	95	Very high	94.3	Very high	29 Å²	29	39.7 Å²	39.7	24%	0.24	23%	0.231	C	C	.	.	H	α-helix	trans	-69.7	-30	175.9	0	0	0	0	0	113.5	F282 K290 A291 F292 N298	F282-A294 HydrophobicContact CE1-CB 3.71Å; F282-A294 HydrophobicContact CZ-CB 3.77Å; K290-A294 VanDerWaalsContact O-CB 3.25Å; K290-A294 WeakPolarHBondContact O-CB 3.49Å; K290-A294 PolarHBondContact O-N 2.96Å; A291-A294 PolarHBondContact O-N 3.46Å; F292-A294 VanDerWaalsContact C-N 3.29Å; F292-A294 PolarHBondContact O-N 2.72Å; A294-N298 WeakPolarHBondContact O-CB 3.43Å; A294-N298 PolarHBondContact O-N 2.95Å; A294-N298 PolarHBondContact O-ND2 3.01Å
295	L	94.1	Very high	94.3	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-64.1	-50.6	170.1	-71.5	-179.1	0	0	0	110.9	F282 A291 F292 N298 G299 V300 A303	F282-L295 HydrophobicContact CE2-CD2 3.68Å; F282-L295 HydrophobicContact CE2-CG 3.81Å; F282-L295 HydrophobicContact CZ-CD2 3.86Å; F282-L295 HydrophobicContact CZ-CG 4Å; A291-L295 WeakPolarHBondContact O-CG 3.44Å; A291-L295 PolarHBondContact O-N 3.41Å; F292-L295 HydrophobicContact CD1-CD1 3.95Å; F292-L295 HydrophobicContact CE1-CD1 4.32Å; F292-L295 WeakPolarHBondContact O-CB 3.42Å; F292-L295 PolarHBondContact O-N 2.95Å; L295-N298 PolarHBondContact O-N 3.02Å; L295-G299 PolarHBondContact O-N 2.85Å; L295-G299 VanDerWaalsContact O-N 3.16Å; L295-V300 HydrophobicContact CB-CG2 4.36Å; L295-V300 WeakPolarHBondContact CB-O 3.48Å; L295-V300 HydrophobicContact CD2-CG2 3.63Å; L295-V300 PolarHBondContact O-N 2.56Å; L295-A303 HydrophobicContact CD2-CB 3.8Å
296	V	91.9	Very high	94.3	Very high	49 Å²	49	39.4 Å²	39.4	30%	0.297	22%	0.222	S	C	.	.	H	α-helix	trans	-56.8	-56	176.8	171.1	0	0	0	0	110.8	F292 F293 N298 G299 I478 A481 A482	F292-V296 PolarHBondContact O-N 3.05Å; F292-V296 VanDerWaalsContact O-N 3.12Å; F293-V296 PolarHBondContact O-N 3.15Å; V296-N298 PolarHBondContact O-N 3.41Å; V296-G299 PolarHBondContact O-N 2.73Å; V296-I478 HydrophobicContact CG2-CG1 3.82Å; V296-A481 HydrophobicContact CG2-CB 4.39Å; V296-A482 HydrophobicContact CG1-CB 3.54Å; V296-A482 HydrophobicContact CG2-CB 4.25Å
297	A	92.9	Very high	94.3	Very high	86 Å²	86	38.1 Å²	38.1	71%	0.711	22%	0.215	S	C	*	.	H	α-helix	trans	-62.3	-17.2	-177.3	0	0	0	0	0	113.8	F293	F293-A297 WeakPolarHBondContact O-CB 3.26Å; F293-A297 PolarHBondContact O-N 3.45Å
298	N	94.2	Very high	94.2	Very high	61 Å²	61	37.9 Å²	37.9	33%	0.326	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-4.9	174.5	-85.1	-80.9	0	0	0	114.7	K278 V280 A294 L295 V296 V300	K278-N298 PolarHBondContact NZ-O 2.95Å; K278-N298 PolarHBondContact NZ-OD1 2.82Å; V280-N298 HydrophobicContact CG2-CB 3.86Å; A294-N298 WeakPolarHBondContact O-CB 3.43Å; A294-N298 PolarHBondContact O-N 2.95Å; A294-N298 PolarHBondContact O-ND2 3.01Å; L295-N298 PolarHBondContact O-N 3.02Å; V296-N298 PolarHBondContact O-N 3.41Å; N298-V300 VanDerWaalsContact C-N 3.28Å; N298-V300 HydrophobicContact CB-CG1 4.42Å; N298-V300 HydrophobicContact CB-CG2 3.81Å; N298-V300 PolarHBondContact O-N 3.37Å
299	G	91.3	Very high	94.2	Very high	68 Å²	68	44.8 Å²	44.8	70%	0.701	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.7	19.6	-174.6	0	0	0	0	0	114.3	L295 V296	L295-G299 PolarHBondContact O-N 2.85Å; L295-G299 VanDerWaalsContact O-N 3.16Å; V296-G299 PolarHBondContact O-N 2.73Å
300	V	92.6	Very high	94.1	Very high	34 Å²	34	49 Å²	49	21%	0.206	27%	0.269	C	S	.	.			trans	-107.5	144.2	-173.6	-66.1	0	0	0	0	112.2	V280 L295 N298	V280-V300 HydrophobicContact CB-CG2 4.18Å; V280-V300 HydrophobicContact CG2-CG1 4.27Å; V280-V300 HydrophobicContact CG2-CG2 3.94Å; L295-V300 HydrophobicContact CB-CG2 4.36Å; L295-V300 WeakPolarHBondContact CB-O 3.48Å; L295-V300 HydrophobicContact CD2-CG2 3.63Å; L295-V300 PolarHBondContact O-N 2.56Å; N298-V300 VanDerWaalsContact C-N 3.28Å; N298-V300 HydrophobicContact CB-CG1 4.42Å; N298-V300 HydrophobicContact CB-CG2 3.81Å; N298-V300 PolarHBondContact O-N 3.37Å
301	R	91	Very high	94	Very high	81 Å²	81	49.4 Å²	49.4	31%	0.306	27%	0.272	S	S	.	.	S	Bend	trans	-100.2	-1.3	-174	-63.6	179.2	177.6	177.6	-3.8	114.4	I319 F475 H529	R301-I319 HydrophobicContact CB-CD1 4.25Å; R301-I319 HydrophobicContact CG-CD1 4.4Å; R301-F475 HydrophobicContact CG-CD2 4.08Å; R301-F475 HydrophobicContact CG-CE2 4.11Å; R301-H529 PolarHBondContact NH1-NE2 3.3Å
302	A	95.3	Very high	93.9	Very high	5 Å²	5	51.5 Å²	51.5	4%	0.041	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167	158.4	175.4	0	0	0	0	0	110.2	M316 L317 T318 R383	A302-M316 HydrophobicContact CB-CE 4.15Å; A302-L317 CarbonylContact C-O 3.56Å; A302-L317 WeakPolarHBondContact CA-O 3.33Å; A302-L317 WeakPolarHBondContact CB-O 3.36Å; A302-T318 HydrophobicContact CB-CG2 4.13Å; A302-R383 HydrophobicContact CB-CG 3.91Å
303	A	97.3	Very high	94	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	143	172.9	0	0	0	0	0	110.5	V280 F282 L295 M316 L317	V280-A303 HydrophobicContact CG1-CB 4.44Å; V280-A303 WeakPolarHBondContact O-CA 3.45Å; V280-A303 VanDerWaalsContact O-CB 3.23Å; V280-A303 WeakPolarHBondContact O-CB 3.27Å; F282-A303 HydrophobicContact CD2-CB 3.64Å; F282-A303 HydrophobicContact CE2-CB 3.57Å; F282-A303 HydrophobicContact CG-CB 4.34Å; F282-A303 HydrophobicContact CZ-CB 4.21Å; L295-A303 HydrophobicContact CD2-CB 3.8Å; A303-M316 CarbonylContact O-C 3.44Å; A303-M316 WeakPolarHBondContact O-CA 3.45Å; A303-L317 PolarHBondContact N-O 3.16Å; A303-L317 PolarHBondContact O-N 2.81Å
304	P	96.9	Very high	94	Very high	1 Å²	1	52 Å²	52	1%	0.006	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	152.1	166.3	-16.5	33.1	0	0	0	111	L279 V280 V281 F282 F313 M316 I397	L279-P304 HydrophobicContact CD1-CG 4.16Å; L279-P304 HydrophobicContact CD2-CG 4.46Å; V280-P304 WeakPolarHBondContact O-CD 3.33Å; V281-P304 HydrophobicContact CG2-CB 4.48Å; V281-P304 HydrophobicContact CG2-CG 4.38Å; F282-P304 PolarHBondContact N-O 3.11Å; F282-P304 VanDerWaalsContact N-O 3.12Å; P304-F313 HydrophobicContact CB-CD1 3.7Å; P304-F313 HydrophobicContact CB-CE1 3.8Å; P304-M316 HydrophobicContact CB-SD 4Å; P304-M316 HydrophobicContact CG-CE 4.1Å; P304-M316 HydrophobicContact CG-SD 4.07Å; P304-I397 HydrophobicContact CG-CD1 4.45Å
305	L	96.6	Very high	93.9	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	120.8	-178.2	-63.9	179.9	0	0	0	111	F282 T284 F313 V314 G315 L317 I345	F282-L305 HydrophobicContact CB-CD2 3.98Å; F282-L305 HydrophobicContact CD2-CD2 4.47Å; F282-L305 WeakPolarHBondContact O-CA 3.46Å; T284-L305 HydrophobicContact CG2-CB 4.35Å; L305-F313 CarbonylContact O-C 3.55Å; L305-F313 VanDerWaalsContact O-CA 3.3Å; L305-F313 WeakPolarHBondContact O-CA 3.22Å; L305-V314 HydrophobicContact CB-CG2 4.28Å; L305-V314 PolarHBondContact O-N 2.82Å; L305-G315 PolarHBondContact N-O 3Å; L305-L317 HydrophobicContact CD1-CB 4.21Å; L305-L317 HydrophobicContact CD2-CB 3.91Å; L305-L317 HydrophobicContact CG-CB 4.22Å; L305-I345 HydrophobicContact CD1-CG2 3.56Å; L305-I345 HydrophobicContact CD2-CD1 3.91Å; L305-I345 HydrophobicContact CD2-CG2 3.84Å; L305-I345 HydrophobicContact CG-CG2 4.28Å
306	W	96.5	Very high	94	Very high	66 Å²	66	51.9 Å²	51.9	25%	0.25	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	128.6	179.1	179.7	-100.4	0	0	0	110.3	V281 F282 D283 T284 S308 Q311 F313	V281-W306 HydrophobicContact CG1-CB 3.84Å; F282-W306 PolarHBondContact O-N 3Å; D283-W306 CarbonylContact C-O 3.55Å; D283-W306 VanDerWaalsContact CA-O 3.3Å; D283-W306 WeakPolarHBondContact CA-O 3.39Å; T284-W306 PolarHBondContact N-O 3.08Å; W306-S308 PolarHBondContact NE1-OG 3.12Å; W306-Q311 HydrophobicContact CH2-CB 4.35Å; W306-Q311 WeakPolarHBondContact CH2-O 3.16Å; W306-Q311 HydrophobicContact CZ2-CB 4.07Å; W306-F313 HydrophobicContact CB-CE1 4.46Å; W306-F313 HydrophobicContact CE3-CD1 4.15Å; W306-F313 HydrophobicContact CE3-CD2 4.01Å; W306-F313 HydrophobicContact CE3-CE1 4.05Å; W306-F313 AromaticContact CE3-CE2 3.89Å; W306-F313 HydrophobicContact CE3-CE2 3.89Å; W306-F313 HydrophobicContact CE3-CG 4.14Å; W306-F313 AromaticContact CE3-CZ 3.91Å; W306-F313 HydrophobicContact CE3-CZ 3.91Å; W306-F313 HydrophobicContact CZ3-CD2 4.05Å; W306-F313 AromaticContact CZ3-CE2 3.91Å; W306-F313 HydrophobicContact CZ3-CE2 3.91Å; W306-F313 HydrophobicContact CZ3-CZ 4.33Å
307	E	95.3	Very high	94.1	Very high	26 Å²	26	49.6 Å²	49.6	12%	0.121	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	99.7	172.9	-172.9	-177.6	166.1	0	0	110	T284 K309 K310 Q311 S312 V314	T284-E307 HydrophobicContact CG2-CB 4.26Å; E307-K309 HydrophobicContact CG-CB 4.12Å; E307-K309 PolarHBondContact O-N 3.18Å; E307-K310 HydrophobicContact CG-CB 4.46Å; E307-K310 HydrophobicContact CG-CG 4.42Å; E307-K310 CarbonylContact O-C 3.51Å; E307-K310 PolarHBondContact O-N 2.79Å; E307-K310 IonicContact OE1-NZ 3.68Å; E307-K310 PolarHBondContact OE1-NZ 2.83Å; E307-K310 WeakPolarHBondContact OE2-CD 3.3Å; E307-K310 IonicContact OE2-NZ 3.75Å; E307-K310 PolarHBondContact OE2-NZ 3.22Å; E307-Q311 PolarHBondContact O-N 3.05Å; E307-S312 PolarHBondContact N-O 3.15Å; E307-V314 HydrophobicContact CB-CG1 3.67Å; E307-V314 HydrophobicContact CB-CG2 4.05Å
308	S	95.1	Very high	94.2	Very high	61 Å²	61	46.7 Å²	46.7	43%	0.427	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-19.8	-179.3	-69.3	0	0	0	0	114.7	D283 W306 Q311	D283-S308 VanDerWaalsContact OD2-CB 3.24Å; D283-S308 WeakPolarHBondContact OD2-CB 3.33Å; D283-S308 PolarHBondContact OD2-N 3.22Å; D283-S308 PolarHBondContact OD2-OG 3.22Å; W306-S308 PolarHBondContact NE1-OG 3.12Å; S308-Q311 PolarHBondContact O-NE2 2.73Å
309	K	93.5	Very high	94.2	Very high	146 Å²	146	44.5 Å²	44.5	64%	0.635	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-34.5	173.2	-61.8	163.4	-178.8	160.6	0	112.8	E307 E346	E307-K309 HydrophobicContact CG-CB 4.12Å; E307-K309 PolarHBondContact O-N 3.18Å; K309-E346 IonicContact NZ-OE2 2.9Å; K309-E346 PolarHBondContact NZ-OE2 3.24Å
310	K	90.3	Very high	94.3	Very high	136 Å²	136	43.6 Å²	43.6	59%	0.591	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.2	-7.4	-178.7	-64	-170	-172.6	77.5	0	113.6	E307 S312	E307-K310 HydrophobicContact CG-CB 4.46Å; E307-K310 HydrophobicContact CG-CG 4.42Å; E307-K310 CarbonylContact O-C 3.51Å; E307-K310 PolarHBondContact O-N 2.79Å; E307-K310 IonicContact OE1-NZ 3.68Å; E307-K310 PolarHBondContact OE1-NZ 2.83Å; E307-K310 WeakPolarHBondContact OE2-CD 3.3Å; E307-K310 IonicContact OE2-NZ 3.75Å; E307-K310 PolarHBondContact OE2-NZ 3.22Å; K310-S312 VanDerWaalsContact C-N 3.29Å; K310-S312 PolarHBondContact O-N 3.12Å
311	Q	92.3	Very high	94.3	Very high	127 Å²	127	42.9 Å²	42.9	59%	0.593	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.7	45.7	-175.9	-63.8	-70.1	-62.5	0	0	112.3	W306 E307 S308	W306-Q311 HydrophobicContact CH2-CB 4.35Å; W306-Q311 WeakPolarHBondContact CH2-O 3.16Å; W306-Q311 HydrophobicContact CZ2-CB 4.07Å; E307-Q311 PolarHBondContact O-N 3.05Å; S308-Q311 PolarHBondContact O-NE2 2.73Å
312	S	93.5	Very high	94.4	Very high	44 Å²	44	39.1 Å²	39.1	31%	0.308	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	161	-175.6	60.8	0	0	0	0	113.2	E307 K310	E307-S312 PolarHBondContact N-O 3.15Å; K310-S312 VanDerWaalsContact C-N 3.29Å; K310-S312 PolarHBondContact O-N 3.12Å
313	F	95.2	Very high	94.3	Very high	38 Å²	38	38.9 Å²	38.9	17%	0.167	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	121.2	171.3	-70.8	-76.3	0	0	0	110.5	V281 P304 L305 W306 L360 I387 G392 A394	V281-F313 HydrophobicContact CG1-CE1 3.8Å; V281-F313 HydrophobicContact CG2-CE1 4.1Å; V281-F313 HydrophobicContact CG2-CZ 4.49Å; P304-F313 HydrophobicContact CB-CD1 3.7Å; P304-F313 HydrophobicContact CB-CE1 3.8Å; L305-F313 CarbonylContact O-C 3.55Å; L305-F313 VanDerWaalsContact O-CA 3.3Å; L305-F313 WeakPolarHBondContact O-CA 3.22Å; W306-F313 HydrophobicContact CB-CE1 4.46Å; W306-F313 HydrophobicContact CE3-CD1 4.15Å; W306-F313 HydrophobicContact CE3-CD2 4.01Å; W306-F313 HydrophobicContact CE3-CE1 4.05Å; W306-F313 AromaticContact CE3-CE2 3.89Å; W306-F313 HydrophobicContact CE3-CE2 3.89Å; W306-F313 HydrophobicContact CE3-CG 4.14Å; W306-F313 AromaticContact CE3-CZ 3.91Å; W306-F313 HydrophobicContact CE3-CZ 3.91Å; W306-F313 HydrophobicContact CZ3-CD2 4.05Å; W306-F313 AromaticContact CZ3-CE2 3.91Å; W306-F313 HydrophobicContact CZ3-CE2 3.91Å; W306-F313 HydrophobicContact CZ3-CZ 4.33Å; F313-L360 HydrophobicContact CB-CD2 3.62Å; F313-L360 WeakPolarHBondContact O-CD2 3.48Å; F313-I387 HydrophobicContact CB-CD1 4.08Å; F313-I387 HydrophobicContact CD2-CD1 4.07Å; F313-I387 HydrophobicContact CG-CD1 4.24Å; F313-G392 WeakPolarHBondContact CE2-O 3.42Å; F313-A394 HydrophobicContact CD2-CB 4.42Å; F313-A394 HydrophobicContact CE1-CB 4.1Å; F313-A394 HydrophobicContact CE2-CB 3.78Å; F313-A394 HydrophobicContact CZ-CB 3.6Å
314	V	93.1	Very high	94.1	Very high	33 Å²	33	39.5 Å²	39.5	20%	0.2	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	-8	-170.6	-60.6	0	0	0	0	114.3	T284 L305 E307 R349	T284-V314 HydrophobicContact CG2-CG2 3.75Å; L305-V314 HydrophobicContact CB-CG2 4.28Å; L305-V314 PolarHBondContact O-N 2.82Å; E307-V314 HydrophobicContact CB-CG1 3.67Å; E307-V314 HydrophobicContact CB-CG2 4.05Å; V314-R349 PolarHBondContact O-NH2 3.17Å
315	G	93.5	Very high	93.8	Very high	4 Å²	4	39.6 Å²	39.6	4%	0.041	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.9	-176	-177.8	0	0	0	0	0	113.7	L305	L305-G315 PolarHBondContact N-O 3Å
316	M	95	Very high	93.6	Very high	23 Å²	23	39.6 Å²	39.6	11%	0.113	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	148.8	164	-61.5	-62.5	-63	0	0	108.4	A302 A303 P304 T318 L360 R383 P385 I397	A302-M316 HydrophobicContact CB-CE 4.15Å; A303-M316 CarbonylContact O-C 3.44Å; A303-M316 WeakPolarHBondContact O-CA 3.45Å; P304-M316 HydrophobicContact CB-SD 4Å; P304-M316 HydrophobicContact CG-CE 4.1Å; P304-M316 HydrophobicContact CG-SD 4.07Å; M316-T318 HydrophobicContact CB-CG2 4.12Å; M316-L360 HydrophobicContact CG-CD1 4Å; M316-L360 HydrophobicContact SD-CD1 4.47Å; M316-R383 HydrophobicContact CE-CB 4.47Å; M316-P385 HydrophobicContact SD-CB 4.14Å; M316-P385 HydrophobicContact SD-CG 3.89Å; M316-I397 HydrophobicContact CE-CD1 3.85Å; M316-I397 HydrophobicContact CE-CG1 4.26Å; M316-I397 HydrophobicContact CE-CG2 4.39Å
317	L	95.3	Very high	93.4	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.005	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	132.3	160.2	-173.8	71.6	0	0	0	108.5	F282 A291 F292 A302 A303 L305 D321 I345	F282-L317 HydrophobicContact CD2-CD2 4Å; F282-L317 HydrophobicContact CE2-CD2 4.09Å; A291-L317 HydrophobicContact CB-CD2 3.59Å; F292-L317 HydrophobicContact CE1-CD1 4.16Å; F292-L317 HydrophobicContact CE1-CD2 4.07Å; F292-L317 HydrophobicContact CE1-CG 3.97Å; F292-L317 HydrophobicContact CZ-CD1 3.83Å; F292-L317 HydrophobicContact CZ-CD2 4.27Å; F292-L317 HydrophobicContact CZ-CG 4.15Å; A302-L317 CarbonylContact C-O 3.56Å; A302-L317 WeakPolarHBondContact CA-O 3.33Å; A302-L317 WeakPolarHBondContact CB-O 3.36Å; A303-L317 PolarHBondContact N-O 3.16Å; A303-L317 PolarHBondContact O-N 2.81Å; L305-L317 HydrophobicContact CD1-CB 4.21Å; L305-L317 HydrophobicContact CD2-CB 3.91Å; L305-L317 HydrophobicContact CG-CB 4.22Å; L317-D321 HydrophobicContact CD1-CB 3.79Å; L317-I345 HydrophobicContact CD2-CD1 4.23Å
318	T	94.7	Very high	93.2	Very high	26 Å²	26	42.7 Å²	42.7	16%	0.16	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	170.6	-174.2	76.7	0	0	0	0	111.3	A302 M316 T320 D321 F322	A302-T318 HydrophobicContact CB-CG2 4.13Å; M316-T318 HydrophobicContact CB-CG2 4.12Å; T318-T320 PolarHBondContact O-N 3.19Å; T318-T320 WeakPolarHBondContact OG1-CB 3.31Å; T318-T320 PolarHBondContact OG1-N 3.06Å; T318-T320 VanDerWaalsContact OG1-N 3.17Å; T318-T320 PolarHBondContact OG1-OG1 3.21Å; T318-D321 WeakPolarHBondContact CA-OD2 3.47Å; T318-D321 WeakPolarHBondContact CB-OD2 3.29Å; T318-D321 PolarHBondContact N-OD2 2.87Å; T318-D321 WeakPolarHBondContact O-CB 3.1Å; T318-D321 PolarHBondContact O-N 3.33Å; T318-D321 VanDerWaalsContact O-N 3.08Å; T318-D321 PolarHBondContact OG1-OD2 2.93Å; T318-F322 PolarHBondContact O-N 2.96Å
319	I	93.8	Very high	93	Very high	14 Å²	14	41.4 Å²	41.4	7%	0.072	20%	0.198	C	C	.	.	H	α-helix	trans	-65.8	-19.7	174.4	-42.2	167.1	0	0	0	111.7	R301 D321 F322 I323 K474 F475 V477 I478	R301-I319 HydrophobicContact CB-CD1 4.25Å; R301-I319 HydrophobicContact CG-CD1 4.4Å; I319-D321 VanDerWaalsContact C-N 3.3Å; I319-D321 PolarHBondContact O-N 2.89Å; I319-F322 HydrophobicContact CG2-CB 4.46Å; I319-F322 WeakPolarHBondContact O-CB 3.29Å; I319-F322 PolarHBondContact O-N 3.42Å; I319-I323 WeakPolarHBondContact O-CD1 3.46Å; I319-I323 WeakPolarHBondContact O-CG1 3.4Å; I319-I323 PolarHBondContact O-N 3.09Å; I319-K474 WeakPolarHBondContact CB-O 3.48Å; I319-K474 WeakPolarHBondContact CD1-O 3.48Å; I319-K474 WeakPolarHBondContact CG2-O 3.37Å; I319-F475 HydrophobicContact CD1-CD2 4.14Å; I319-V477 HydrophobicContact CG2-CB 4.45Å; I319-I478 HydrophobicContact CD1-CB 4.05Å; I319-I478 HydrophobicContact CD1-CG2 4.28Å; I319-I478 HydrophobicContact CG1-CB 4.23Å; I319-I478 HydrophobicContact CG1-CD1 4.24Å; I319-I478 HydrophobicContact CG1-CG1 4.33Å; I319-I478 HydrophobicContact CG2-CB 3.99Å; I319-I478 HydrophobicContact CG2-CD1 4.09Å
320	T	93	Very high	92.9	Very high	49 Å²	49	35.3 Å²	35.3	30%	0.301	17%	0.171	S	C	.	.	H	α-helix	trans	-64.3	-38	171.6	-45.3	0	0	0	0	111.3	T318 F322 I323 N324	T318-T320 PolarHBondContact O-N 3.19Å; T318-T320 WeakPolarHBondContact OG1-CB 3.31Å; T318-T320 PolarHBondContact OG1-N 3.06Å; T318-T320 VanDerWaalsContact OG1-N 3.17Å; T318-T320 PolarHBondContact OG1-OG1 3.21Å; T320-F322 VanDerWaalsContact C-N 3.33Å; T320-I323 PolarHBondContact O-N 3.22Å; T320-N324 PolarHBondContact O-N 3.41Å; T320-N324 PolarHBondContact O-OD1 3.18Å
321	D	92.9	Very high	92.8	Very high	20 Å²	20	35.8 Å²	35.8	11%	0.107	17%	0.173	C	C	.	.	H	α-helix	trans	-65	-40.3	176.8	-53.2	-95.4	0	0	0	110.6	F292 L317 T318 I319 N324 I325	F292-D321 HydrophobicContact CZ-CB 4.21Å; L317-D321 HydrophobicContact CD1-CB 3.79Å; T318-D321 WeakPolarHBondContact CA-OD2 3.47Å; T318-D321 WeakPolarHBondContact CB-OD2 3.29Å; T318-D321 PolarHBondContact N-OD2 2.87Å; T318-D321 WeakPolarHBondContact O-CB 3.1Å; T318-D321 PolarHBondContact O-N 3.33Å; T318-D321 VanDerWaalsContact O-N 3.08Å; T318-D321 PolarHBondContact OG1-OD2 2.93Å; I319-D321 VanDerWaalsContact C-N 3.3Å; I319-D321 PolarHBondContact O-N 2.89Å; D321-N324 PolarHBondContact O-N 3.18Å; D321-I325 VanDerWaalsContact O-CD1 3.31Å; D321-I325 WeakPolarHBondContact O-CD1 3.42Å; D321-I325 VanDerWaalsContact O-CG1 3.26Å; D321-I325 WeakPolarHBondContact O-CG1 3.37Å; D321-I325 PolarHBondContact O-N 3.31Å
322	F	93.1	Very high	92.6	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.009	16%	0.159	C	C	.	.	H	α-helix	trans	-59.1	-48.1	173.7	-170.2	-130.2	0	0	0	111.8	F292 T318 I319 T320 N324 I325 L326 L340 V477 I478 A481 Y486	F292-F322 HydrophobicContact CD1-CB 4.03Å; F292-F322 HydrophobicContact CD1-CD2 4.34Å; F292-F322 HydrophobicContact CD1-CG 4.32Å; F292-F322 HydrophobicContact CD2-CB 4.42Å; F292-F322 AromaticContact CD2-CD2 3.55Å; F292-F322 HydrophobicContact CD2-CD2 3.55Å; F292-F322 HydrophobicContact CD2-CE2 4.21Å; F292-F322 HydrophobicContact CD2-CG 4.29Å; F292-F322 HydrophobicContact CE1-CB 3.62Å; F292-F322 HydrophobicContact CE1-CG 4.36Å; F292-F322 HydrophobicContact CE2-CB 3.97Å; F292-F322 AromaticContact CE2-CD2 3.67Å; F292-F322 HydrophobicContact CE2-CD2 3.67Å; F292-F322 HydrophobicContact CE2-CG 4.26Å; F292-F322 HydrophobicContact CG-CB 4.45Å; F292-F322 AromaticContact CG-CD2 3.92Å; F292-F322 HydrophobicContact CG-CD2 3.92Å; F292-F322 HydrophobicContact CG-CG 4.34Å; F292-F322 HydrophobicContact CZ-CB 3.59Å; F292-F322 HydrophobicContact CZ-CD2 4.19Å; F292-F322 HydrophobicContact CZ-CG 4.32Å; T318-F322 PolarHBondContact O-N 2.96Å; I319-F322 HydrophobicContact CG2-CB 4.46Å; I319-F322 WeakPolarHBondContact O-CB 3.29Å; I319-F322 PolarHBondContact O-N 3.42Å; T320-F322 VanDerWaalsContact C-N 3.33Å; F322-N324 VanDerWaalsContact C-N 3.32Å; F322-N324 PolarHBondContact O-N 3.07Å; F322-I325 PolarHBondContact O-N 3.39Å; F322-L326 HydrophobicContact CD1-CD1 4.07Å; F322-L326 HydrophobicContact CD2-CG 4.42Å; F322-L326 HydrophobicContact CE1-CD1 3.69Å; F322-L326 HydrophobicContact CE1-CG 4.43Å; F322-L326 HydrophobicContact CE2-CD1 4.3Å; F322-L326 HydrophobicContact CE2-CD2 4.15Å; F322-L326 HydrophobicContact CE2-CG 4.19Å; F322-L326 HydrophobicContact CZ-CD1 3.81Å; F322-L326 HydrophobicContact CZ-CD2 4.19Å; F322-L326 HydrophobicContact CZ-CG 4.19Å; F322-L326 WeakPolarHBondContact O-CG 3.4Å; F322-L326 PolarHBondContact O-N 3.43Å; F322-L340 HydrophobicContact CD2-CD1 4.4Å; F322-L340 HydrophobicContact CE2-CD1 4.23Å; F322-L340 HydrophobicContact CE2-CD2 3.97Å; F322-V477 HydrophobicContact CD1-CG1 4.16Å; F322-V477 HydrophobicContact CE1-CG1 4.33Å; F322-V477 WeakPolarHBondContact CE1-O 3.34Å; F322-I478 HydrophobicContact CD1-CD1 4.09Å; F322-I478 HydrophobicContact CG-CD1 4.46Å; F322-A481 HydrophobicContact CE1-CB 3.93Å; F322-A481 HydrophobicContact CE2-CB 4.39Å; F322-A481 HydrophobicContact CZ-CB 3.74Å; F322-Y486 HydrophobicContact CZ-CG 4.42Å
323	I	93.9	Very high	92.3	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-58	-44.3	176.3	-69.3	162.5	0	0	0	111.2	I319 T320 I325 L326 H327 L448 F451 V452 K474 V477	I319-I323 WeakPolarHBondContact O-CD1 3.46Å; I319-I323 WeakPolarHBondContact O-CG1 3.4Å; I319-I323 PolarHBondContact O-N 3.09Å; T320-I323 PolarHBondContact O-N 3.22Å; I323-I325 VanDerWaalsContact C-N 3.34Å; I323-I325 PolarHBondContact O-N 3.23Å; I323-L326 PolarHBondContact O-N 3.37Å; I323-H327 WeakPolarHBondContact O-CB 3.37Å; I323-H327 PolarHBondContact O-N 3.17Å; I323-L448 HydrophobicContact CG1-CD2 4.26Å; I323-L448 HydrophobicContact CG2-CB 4.35Å; I323-L448 HydrophobicContact CG2-CD2 4.25Å; I323-F451 HydrophobicContact CD1-CD2 4.15Å; I323-F451 HydrophobicContact CG2-CB 4.12Å; I323-V452 HydrophobicContact CG2-CG2 3.96Å; I323-K474 HydrophobicContact CD1-CB 3.84Å; I323-K474 HydrophobicContact CD1-CD 3.69Å; I323-K474 HydrophobicContact CD1-CG 3.46Å; I323-K474 VanDerWaalsContact CD1-CG 3.46Å; I323-V477 HydrophobicContact CD1-CB 4.37Å; I323-V477 HydrophobicContact CD1-CG2 4.03Å; I323-V477 HydrophobicContact CG1-CB 4.14Å; I323-V477 HydrophobicContact CG1-CG1 3.85Å; I323-V477 HydrophobicContact CG1-CG2 4.1Å
324	N	92.4	Very high	91.9	Very high	13 Å²	13	38.5 Å²	38.5	7%	0.07	19%	0.193	C	C	.	.	H	α-helix	trans	-63.5	-38.1	179	-67.7	-9.6	0	0	0	112.3	T320 D321 F322 R328 W348 Y352	T320-N324 PolarHBondContact O-N 3.41Å; T320-N324 PolarHBondContact O-OD1 3.18Å; D321-N324 PolarHBondContact O-N 3.18Å; F322-N324 VanDerWaalsContact C-N 3.32Å; F322-N324 PolarHBondContact O-N 3.07Å; N324-R328 VanDerWaalsContact O-CB 3.31Å; N324-R328 WeakPolarHBondContact O-CB 3.46Å; N324-R328 PolarHBondContact O-N 3.32Å; N324-W348 HydrophobicContact CB-CH2 4Å; N324-W348 HydrophobicContact CB-CZ2 3.74Å; N324-Y352 HydrophobicContact CB-CE2 4.19Å; N324-Y352 VanDerWaalsContact ND2-CE2 3.33Å; N324-Y352 WeakPolarHBondContact ND2-CE2 3.45Å; N324-Y352 VanDerWaalsContact ND2-CZ 3.25Å; N324-Y352 PolarHBondContact ND2-OH 2.66Å; N324-Y352 VanDerWaalsContact ND2-OH 3.13Å
325	I	91.9	Very high	91.6	Very high	3 Å²	3	40.3 Å²	40.3	2%	0.015	20%	0.203	C	C	.	.	H	α-helix	trans	-67.5	-51.3	176.8	-64.7	154.4	0	0	0	110.2	V288 F292 D321 F322 I323 H327 R328 Y329 L340 W348	V288-I325 HydrophobicContact CG1-CD1 3.55Å; F292-I325 HydrophobicContact CE2-CD1 3.69Å; F292-I325 HydrophobicContact CZ-CD1 4.14Å; D321-I325 VanDerWaalsContact O-CD1 3.31Å; D321-I325 WeakPolarHBondContact O-CD1 3.42Å; D321-I325 VanDerWaalsContact O-CG1 3.26Å; D321-I325 WeakPolarHBondContact O-CG1 3.37Å; D321-I325 PolarHBondContact O-N 3.31Å; F322-I325 PolarHBondContact O-N 3.39Å; I323-I325 VanDerWaalsContact C-N 3.34Å; I323-I325 PolarHBondContact O-N 3.23Å; I325-H327 VanDerWaalsContact C-N 3.33Å; I325-H327 PolarHBondContact O-N 3.22Å; I325-R328 PolarHBondContact O-N 3.1Å; I325-Y329 HydrophobicContact CG2-CD2 3.93Å; I325-Y329 HydrophobicContact CG2-CE2 4.43Å; I325-Y329 WeakPolarHBondContact O-CD2 3.35Å; I325-Y329 PolarHBondContact O-N 2.64Å; I325-L340 HydrophobicContact CG2-CB 4.08Å; I325-L340 HydrophobicContact CG2-CD1 3.98Å; I325-W348 HydrophobicContact CB-CH2 4.48Å; I325-W348 HydrophobicContact CD1-CD2 4.04Å; I325-W348 HydrophobicContact CD1-CG 4.26Å; I325-W348 HydrophobicContact CD1-CZ2 4.4Å; I325-W348 HydrophobicContact CG1-CD2 3.58Å; I325-W348 VanDerWaalsContact CG1-CE2 3.48Å; I325-W348 HydrophobicContact CG1-CE3 3.72Å; I325-W348 HydrophobicContact CG1-CG 4.31Å; I325-W348 HydrophobicContact CG1-CH2 3.69Å; I325-W348 HydrophobicContact CG1-CZ2 3.56Å; I325-W348 HydrophobicContact CG1-CZ3 3.76Å
326	L	92.1	Very high	91.1	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-56	-48.9	177.4	-67.5	-176.9	0	0	0	110.8	F322 I323 R328 Y330 I337 L340 L448 V477 L489	F322-L326 HydrophobicContact CD1-CD1 4.07Å; F322-L326 HydrophobicContact CD2-CG 4.42Å; F322-L326 HydrophobicContact CE1-CD1 3.69Å; F322-L326 HydrophobicContact CE1-CG 4.43Å; F322-L326 HydrophobicContact CE2-CD1 4.3Å; F322-L326 HydrophobicContact CE2-CD2 4.15Å; F322-L326 HydrophobicContact CE2-CG 4.19Å; F322-L326 HydrophobicContact CZ-CD1 3.81Å; F322-L326 HydrophobicContact CZ-CD2 4.19Å; F322-L326 HydrophobicContact CZ-CG 4.19Å; F322-L326 WeakPolarHBondContact O-CG 3.4Å; F322-L326 PolarHBondContact O-N 3.43Å; I323-L326 PolarHBondContact O-N 3.37Å; L326-R328 PolarHBondContact O-N 3.34Å; L326-Y330 WeakPolarHBondContact O-CB 3.24Å; L326-Y330 PolarHBondContact O-N 2.72Å; L326-I337 HydrophobicContact CD2-CD1 3.56Å; L326-L340 HydrophobicContact CD2-CD2 4.3Å; L326-L448 HydrophobicContact CB-CD1 3.77Å; L326-L448 HydrophobicContact CD1-CD1 4.02Å; L326-V477 HydrophobicContact CD1-CG1 4.19Å; L326-L489 HydrophobicContact CB-CD1 3.97Å; L326-L489 HydrophobicContact CD1-CD1 4.37Å; L326-L489 HydrophobicContact CD1-CD2 4.37Å; L326-L489 HydrophobicContact CD2-CD1 4.49Å
327	H	91.5	Very high	90.8	Very high	61 Å²	61	44 Å²	44	28%	0.282	22%	0.22	S	C	.	.	H	α-helix	trans	-58.8	-41.6	177.7	178.5	-89.9	0	0	0	113.6	I323 I325 N449 V452	I323-H327 WeakPolarHBondContact O-CB 3.37Å; I323-H327 PolarHBondContact O-N 3.17Å; I325-H327 VanDerWaalsContact C-N 3.33Å; I325-H327 PolarHBondContact O-N 3.22Å; H327-N449 PolarHBondContact CD2-OD1 3.3Å; H327-N449 PolarHBondContact NE2-OD1 3.29Å; H327-V452 HydrophobicContact CB-CG2 4Å
328	R	90.6	Very high	90.3	Very high	95 Å²	95	50.4 Å²	50.4	36%	0.358	24%	0.244	S	C	.	.	H	α-helix	trans	-73.4	-40.5	-176.6	-165.6	174.5	-172.3	116	-4.4	112.3	N324 I325 L326 K331 E355	N324-R328 VanDerWaalsContact O-CB 3.31Å; N324-R328 WeakPolarHBondContact O-CB 3.46Å; N324-R328 PolarHBondContact O-N 3.32Å; I325-R328 PolarHBondContact O-N 3.1Å; L326-R328 PolarHBondContact O-N 3.34Å; R328-K331 PolarHBondContact O-NZ 3.05Å; R328-E355 IonicContact CZ-OE1 2.85Å; R328-E355 VanDerWaalsContact NH1-CD 3.31Å; R328-E355 IonicContact NH1-OE1 2.63Å; R328-E355 PolarHBondContact NH1-OE1 2.91Å; R328-E355 IonicContact NH1-OE2 2.65Å; R328-E355 PolarHBondContact NH1-OE2 2.58Å; R328-E355 VanDerWaalsContact NH1-OE2 3.08Å; R328-E355 IonicContact NH2-OE1 2.66Å; R328-E355 PolarHBondContact NH2-OE1 3.01Å
329	Y	90.5	Very high	89.9	Confident	35 Å²	35	52.3 Å²	52.3	14%	0.137	25%	0.251	C	S	.	.	H	α-helix	trans	-103.9	-18.6	-168.9	-63.1	-69.1	0	0	0	115.1	I325 K331 E339 H343 W348	I325-Y329 HydrophobicContact CG2-CD2 3.93Å; I325-Y329 HydrophobicContact CG2-CE2 4.43Å; I325-Y329 WeakPolarHBondContact O-CD2 3.35Å; I325-Y329 PolarHBondContact O-N 2.64Å; Y329-K331 WeakPolarHBondContact O-CE 3.23Å; Y329-E339 HydrophobicContact CD1-CB 3.89Å; Y329-E339 HydrophobicContact CD1-CG 3.58Å; Y329-E339 WeakPolarHBondContact CD1-OE1 3.49Å; Y329-E339 HydrophobicContact CD2-CB 4.03Å; Y329-E339 HydrophobicContact CE1-CB 3.91Å; Y329-E339 HydrophobicContact CE1-CG 3.57Å; Y329-E339 HydrophobicContact CE2-CB 4.04Å; Y329-E339 HydrophobicContact CG-CB 3.95Å; Y329-E339 HydrophobicContact CG-CG 4.13Å; Y329-H343 PolarHBondContact OH-CE1 3.37Å; Y329-W348 HydrophobicContact CE2-CE3 4.24Å; Y329-W348 AromaticContact CE2-CZ3 3.86Å; Y329-W348 HydrophobicContact CE2-CZ3 3.86Å
330	Y	91.8	Very high	89.4	Confident	18 Å²	18	51.7 Å²	51.7	7%	0.071	25%	0.248	C	C	.	.			trans	-58.5	142.3	175.1	-172.9	-112.2	0	0	0	112.3	L326 P333 I337 I445 N487 L489 D490	L326-Y330 WeakPolarHBondContact O-CB 3.24Å; L326-Y330 PolarHBondContact O-N 2.72Å; Y330-P333 VanDerWaalsContact OH-CD 3.25Å; Y330-P333 WeakPolarHBondContact OH-CD 3.3Å; Y330-P333 WeakPolarHBondContact OH-CG 3.42Å; Y330-I337 HydrophobicContact CD2-CD1 4.36Å; Y330-I445 HydrophobicContact CD1-CB 4.25Å; Y330-I445 HydrophobicContact CD1-CD1 3.64Å; Y330-I445 HydrophobicContact CD1-CG1 3.79Å; Y330-I445 HydrophobicContact CE1-CB 4.15Å; Y330-I445 HydrophobicContact CE1-CD1 4.4Å; Y330-I445 HydrophobicContact CE1-CG1 4.11Å; Y330-I445 HydrophobicContact CE1-CG2 4.44Å; Y330-I445 HydrophobicContact CG-CD1 4.3Å; Y330-N487 WeakPolarHBondContact CE2-O 3.44Å; Y330-L489 HydrophobicContact CD1-CB 4.27Å; Y330-L489 HydrophobicContact CD1-CD1 4.24Å; Y330-L489 HydrophobicContact CD2-CB 4.28Å; Y330-L489 HydrophobicContact CD2-CD1 3.77Å; Y330-L489 HydrophobicContact CD2-CG 3.92Å; Y330-L489 HydrophobicContact CE1-CB 3.9Å; Y330-L489 HydrophobicContact CE2-CB 3.95Å; Y330-L489 HydrophobicContact CE2-CD1 4.26Å; Y330-L489 HydrophobicContact CE2-CG 3.91Å; Y330-L489 HydrophobicContact CG-CB 4.42Å; Y330-L489 HydrophobicContact CG-CD1 3.75Å; Y330-L489 HydrophobicContact CG-CG 4.28Å; Y330-L489 PolarHBondContact OH-N 3.08Å; Y330-D490 PolarHBondContact OH-N 3.11Å; Y330-D490 PolarHBondContact OH-OD1 3.34Å; Y330-D490 VanDerWaalsContact OH-OD1 3.11Å
331	K	88.8	Confident	88.8	Confident	145 Å²	145	51.9 Å²	51.9	63%	0.63	25%	0.246	S	C	*	.			trans	-138.6	-43.8	178.9	-54.1	-64.6	156.7	-118.9	0	112.6	R328 Y329	R328-K331 PolarHBondContact O-NZ 3.05Å; Y329-K331 WeakPolarHBondContact O-CE 3.23Å
332	S	88.7	Confident	88.6	Confident	42 Å²	42	57.8 Å²	57.8	29%	0.294	27%	0.273	S	S	.	.			trans	-166.6	149.6	-176.6	173.8	0	0	0	0	109.8	M334 V335	S332-M334 PolarHBondContact O-N 2.92Å; S332-V335 PolarHBondContact O-N 3.03Å
333	P	87.3	Confident	88.4	Confident	45 Å²	45	59.7 Å²	59.7	29%	0.292	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-21.1	175.6	-25.7	34	0	0	0	115.6	Y330 N487 N488 D490	Y330-P333 VanDerWaalsContact OH-CD 3.25Å; Y330-P333 WeakPolarHBondContact OH-CD 3.3Å; Y330-P333 WeakPolarHBondContact OH-CG 3.42Å; P333-N487 WeakPolarHBondContact CA-O 3.12Å; P333-N488 HydrophobicContact CB-CB 4.16Å; P333-N488 WeakPolarHBondContact CG-OD1 3.5Å; P333-D490 WeakPolarHBondContact CD-OD2 3.41Å; P333-D490 HydrophobicContact CG-CB 3.96Å; P333-D490 WeakPolarHBondContact CG-OD2 3.44Å
334	M	85.9	Confident	88.5	Confident	180 Å²	180	63.4 Å²	63.4	89%	0.887	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-10.2	-179.5	-61.1	-175.7	-178.9	0	0	113.5	S332	S332-M334 PolarHBondContact O-N 2.92Å
335	V	86	Confident	88.6	Confident	70 Å²	70	62.8 Å²	62.8	42%	0.424	29%	0.294	S	S	.	.	S	Bend	trans	-110.6	116.6	-176.1	-177.6	0	0	0	0	109.2	S332	S332-V335 PolarHBondContact O-N 3.03Å
336	Q	84.2	Confident	88.6	Confident	104 Å²	104	63.8 Å²	63.8	49%	0.486	30%	0.299	S	S	.	.			trans	-66	144.1	174.8	-65.4	-176.5	3.3	0	0	110.8	Y338	Q336-Y338 VanDerWaalsContact C-N 3.29Å; Q336-Y338 HydrophobicContact CB-CE1 4.28Å; Q336-Y338 HydrophobicContact CB-CE2 4.44Å; Q336-Y338 WeakPolarHBondContact O-CD2 3.43Å; Q336-Y338 WeakPolarHBondContact O-CE2 3.33Å; Q336-Y338 PolarHBondContact O-N 3.45Å
337	I	87.5	Confident	88.6	Confident	2 Å²	2	66.1 Å²	66.1	1%	0.01	31%	0.313	C	S	.	.			trans	-82.7	76.1	179.4	-51.8	179.1	0	0	0	109	L326 Y330 E339 L340	L326-I337 HydrophobicContact CD2-CD1 3.56Å; Y330-I337 HydrophobicContact CD2-CD1 4.36Å; I337-E339 PolarHBondContact O-N 3.09Å; I337-L340 HydrophobicContact CB-CB 4.25Å; I337-L340 HydrophobicContact CG2-CB 3.77Å; I337-L340 WeakPolarHBondContact O-CB 3.34Å; I337-L340 PolarHBondContact O-N 3.32Å
338	Y	85.6	Confident	88.5	Confident	135 Å²	135	63.4 Å²	63.4	53%	0.529	30%	0.301	S	S	.	.	H	α-helix	trans	-55.3	-36.6	-175.6	-61.6	-76.4	0	0	0	112.7	Q336 L340 E341 E342	Q336-Y338 VanDerWaalsContact C-N 3.29Å; Q336-Y338 HydrophobicContact CB-CE1 4.28Å; Q336-Y338 HydrophobicContact CB-CE2 4.44Å; Q336-Y338 WeakPolarHBondContact O-CD2 3.43Å; Q336-Y338 WeakPolarHBondContact O-CE2 3.33Å; Q336-Y338 PolarHBondContact O-N 3.45Å; Y338-L340 VanDerWaalsContact C-N 3.25Å; Y338-L340 PolarHBondContact O-N 3.24Å; Y338-E341 WeakPolarHBondContact O-CA 3.14Å; Y338-E341 VanDerWaalsContact O-CB 3.3Å; Y338-E341 WeakPolarHBondContact O-CB 3.41Å; Y338-E341 PolarHBondContact O-N 2.96Å; Y338-E342 PolarHBondContact O-N 3.24Å
339	E	85.5	Confident	88.5	Confident	65 Å²	65	60.5 Å²	60.5	30%	0.304	29%	0.29	S	S	.	.	H	α-helix	trans	-64.8	-28.9	-179.5	-56.1	94	147.8	0	0	112.4	Y329 I337 H343	Y329-E339 HydrophobicContact CD1-CB 3.89Å; Y329-E339 HydrophobicContact CD1-CG 3.58Å; Y329-E339 WeakPolarHBondContact CD1-OE1 3.49Å; Y329-E339 HydrophobicContact CD2-CB 4.03Å; Y329-E339 HydrophobicContact CE1-CB 3.91Å; Y329-E339 HydrophobicContact CE1-CG 3.57Å; Y329-E339 HydrophobicContact CE2-CB 4.04Å; Y329-E339 HydrophobicContact CG-CB 3.95Å; Y329-E339 HydrophobicContact CG-CG 4.13Å; I337-E339 PolarHBondContact O-N 3.09Å; E339-H343 WeakPolarHBondContact O-CB 3.34Å; E339-H343 PolarHBondContact O-N 3.18Å
340	L	84.2	Confident	88.2	Confident	2 Å²	2	64.3 Å²	64.3	1%	0.01	31%	0.309	C	S	.	.	H	α-helix	trans	-72.2	-33.1	173.3	174.1	65.6	0	0	0	111.8	V288 K289 F292 F322 I325 L326 I337 Y338 Y486	V288-L340 HydrophobicContact CG1-CD1 3.86Å; K289-L340 VanDerWaalsContact CB-O 3.28Å; K289-L340 WeakPolarHBondContact CB-O 3.34Å; K289-L340 PolarHBondContact N-O 3.33Å; F292-L340 HydrophobicContact CD2-CD1 4.19Å; F292-L340 HydrophobicContact CE2-CD1 4.4Å; F322-L340 HydrophobicContact CD2-CD1 4.4Å; F322-L340 HydrophobicContact CE2-CD1 4.23Å; F322-L340 HydrophobicContact CE2-CD2 3.97Å; I325-L340 HydrophobicContact CG2-CB 4.08Å; I325-L340 HydrophobicContact CG2-CD1 3.98Å; L326-L340 HydrophobicContact CD2-CD2 4.3Å; I337-L340 HydrophobicContact CB-CB 4.25Å; I337-L340 HydrophobicContact CG2-CB 3.77Å; I337-L340 WeakPolarHBondContact O-CB 3.34Å; I337-L340 PolarHBondContact O-N 3.32Å; Y338-L340 VanDerWaalsContact C-N 3.25Å; Y338-L340 PolarHBondContact O-N 3.24Å; L340-Y486 HydrophobicContact CD2-CD2 3.69Å; L340-Y486 HydrophobicContact CD2-CE2 3.58Å; L340-Y486 HydrophobicContact CD2-CG 4.31Å
341	E	81.4	Confident	87.8	Confident	52 Å²	52	66.5 Å²	66.5	24%	0.243	32%	0.321	C	S	.	.	H	α-helix	trans	-72.1	-47.2	178	-52.5	-84.2	137.8	0	0	111.3	Q287 K289 Y338 Y486	Q287-E341 PolarHBondContact NE2-O 2.97Å; K289-E341 VanDerWaalsContact CD-CD 3.49Å; K289-E341 HydrophobicContact CD-CG 4.46Å; K289-E341 WeakPolarHBondContact CD-OE1 3.37Å; K289-E341 WeakPolarHBondContact CD-OE2 3.39Å; K289-E341 WeakPolarHBondContact CE-OE1 3.49Å; K289-E341 IonicContact NZ-OE1 3.78Å; K289-E341 PolarHBondContact NZ-OE1 3.06Å; K289-E341 IonicContact NZ-OE2 2.81Å; K289-E341 PolarHBondContact NZ-OE2 2.84Å; Y338-E341 WeakPolarHBondContact O-CA 3.14Å; Y338-E341 VanDerWaalsContact O-CB 3.3Å; Y338-E341 WeakPolarHBondContact O-CB 3.41Å; Y338-E341 PolarHBondContact O-N 2.96Å; E341-Y486 PolarHBondContact OE1-OH 3Å
342	E	87.5	Confident	87.2	Confident	145 Å²	145	62.4 Å²	62.4	68%	0.678	30%	0.302	S	S	*	.	H	α-helix	trans	-88.5	-38.2	-170	-65.1	-167.5	158.9	0	0	113.8	Y338	Y338-E342 PolarHBondContact O-N 3.24Å
343	H	90.2	Very high	86.2	Confident	41 Å²	41	62.3 Å²	62.3	19%	0.19	30%	0.298	C	S	.	.			trans	-62.4	150.3	-173.9	-75.6	179.9	0	0	0	113.3	Q287 V288 Y329 E339	Q287-H343 CarbonylContact C-O 3.57Å; Q287-H343 WeakPolarHBondContact CA-O 3.39Å; V288-H343 HydrophobicContact CG2-CB 4.14Å; V288-H343 WeakPolarHBondContact CG2-O 3.48Å; V288-H343 PolarHBondContact N-O 3.03Å; Y329-H343 PolarHBondContact OH-CE1 3.37Å; E339-H343 WeakPolarHBondContact O-CB 3.34Å; E339-H343 PolarHBondContact O-N 3.18Å
344	K	94.6	Very high	85.1	Confident	78 Å²	78	67.8 Å²	67.8	34%	0.339	32%	0.32	S	S	.	.	B	Isolated β-bridge	trans	-94.8	163.3	165.5	-62.6	174.2	165.5	177.7	0	110.7	T285 L286 V288 E346 T347 W348	T285-K344 WeakPolarHBondContact O-CD 3.48Å; T285-K344 WeakPolarHBondContact O-CG 3.45Å; L286-K344 CarbonylContact O-C 3.52Å; L286-K344 VanDerWaalsContact O-CA 3.31Å; L286-K344 WeakPolarHBondContact O-CA 3.39Å; V288-K344 WeakPolarHBondContact CG2-O 3.34Å; K344-E346 HydrophobicContact CB-CG 3.84Å; K344-E346 HydrophobicContact CD-CG 3.83Å; K344-E346 WeakPolarHBondContact CD-OE1 3.2Å; K344-E346 WeakPolarHBondContact CE-OE1 3.19Å; K344-E346 IonicContact NZ-OE1 2.83Å; K344-E346 PolarHBondContact NZ-OE1 3.07Å; K344-E346 PolarHBondContact O-N 3.36Å; K344-T347 HydrophobicContact CB-CG2 4.49Å; K344-T347 PolarHBondContact N-OG1 3.49Å; K344-T347 VanDerWaalsContact N-OG1 3.09Å; K344-T347 PolarHBondContact O-N 3.12Å; K344-T347 PolarHBondContact O-OG1 3Å; K344-W348 WeakPolarHBondContact O-CB 3.49Å; K344-W348 PolarHBondContact O-N 3.45Å
345	I	94.6	Very high	83.8	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-59.3	-37.1	172.3	-62.7	168.4	0	0	0	110.8	F282 T284 L286 V288 A291 L305 L317 R349	F282-I345 HydrophobicContact CB-CD1 3.84Å; F282-I345 HydrophobicContact CD2-CD1 4.32Å; F282-I345 HydrophobicContact CG-CD1 4.41Å; T284-I345 CarbonylContact O-C 3.13Å; T284-I345 WeakPolarHBondContact O-CB 3.24Å; T284-I345 PolarHBondContact O-N 3.3Å; L286-I345 HydrophobicContact CB-CD1 4.11Å; L286-I345 PolarHBondContact O-N 2.98Å; V288-I345 HydrophobicContact CG2-CG1 4.33Å; A291-I345 HydrophobicContact CB-CD1 3.83Å; A291-I345 HydrophobicContact CB-CG1 4.34Å; L305-I345 HydrophobicContact CD1-CG2 3.56Å; L305-I345 HydrophobicContact CD2-CD1 3.91Å; L305-I345 HydrophobicContact CD2-CG2 3.84Å; L305-I345 HydrophobicContact CG-CG2 4.28Å; L317-I345 HydrophobicContact CD2-CD1 4.23Å; I345-R349 HydrophobicContact CG2-CG 4.35Å; I345-R349 VanDerWaalsContact O-CB 3.25Å; I345-R349 WeakPolarHBondContact O-CB 3.48Å; I345-R349 WeakPolarHBondContact O-CG 3.48Å; I345-R349 PolarHBondContact O-N 3.12Å
346	E	93.1	Very high	82.8	Confident	24 Å²	24	63.6 Å²	63.6	11%	0.112	30%	0.297	C	S	.	.	H	α-helix	trans	-60.6	-52.9	174.3	60.6	-172	169.8	0	0	111.7	T284 K309 K344 W348 R349 E350	T284-E346 PolarHBondContact O-N 3.33Å; K309-E346 IonicContact NZ-OE2 2.9Å; K309-E346 PolarHBondContact NZ-OE2 3.24Å; K344-E346 HydrophobicContact CB-CG 3.84Å; K344-E346 HydrophobicContact CD-CG 3.83Å; K344-E346 WeakPolarHBondContact CD-OE1 3.2Å; K344-E346 WeakPolarHBondContact CE-OE1 3.19Å; K344-E346 IonicContact NZ-OE1 2.83Å; K344-E346 PolarHBondContact NZ-OE1 3.07Å; K344-E346 PolarHBondContact O-N 3.36Å; E346-W348 PolarHBondContact O-N 3.1Å; E346-R349 PolarHBondContact O-N 2.99Å; E346-E350 WeakPolarHBondContact O-CG 3.16Å; E346-E350 PolarHBondContact O-N 3.13Å
347	T	92.1	Very high	81.9	Confident	49 Å²	49	66.7 Å²	66.7	30%	0.301	31%	0.309	S	S	.	.	H	α-helix	trans	-68.4	-39.1	-176.4	62	0	0	0	0	112.9	K344 L351	K344-T347 HydrophobicContact CB-CG2 4.49Å; K344-T347 PolarHBondContact N-OG1 3.49Å; K344-T347 VanDerWaalsContact N-OG1 3.09Å; K344-T347 PolarHBondContact O-N 3.12Å; K344-T347 PolarHBondContact O-OG1 3Å; T347-L351 WeakPolarHBondContact O-CG 3.34Å; T347-L351 PolarHBondContact O-N 3.03Å
348	W	89.6	Confident	81.4	Confident	4 Å²	4	72.4 Å²	72.4	2%	0.015	33%	0.334	C	S	.	.	H	α-helix	trans	-61.6	-43.8	172.5	166.4	-111.1	0	0	0	111.9	V288 N324 I325 Y329 K344 E346 L351 Y352	V288-W348 HydrophobicContact CG2-CB 4.13Å; N324-W348 HydrophobicContact CB-CH2 4Å; N324-W348 HydrophobicContact CB-CZ2 3.74Å; I325-W348 HydrophobicContact CB-CH2 4.48Å; I325-W348 HydrophobicContact CD1-CD2 4.04Å; I325-W348 HydrophobicContact CD1-CG 4.26Å; I325-W348 HydrophobicContact CD1-CZ2 4.4Å; I325-W348 HydrophobicContact CG1-CD2 3.58Å; I325-W348 VanDerWaalsContact CG1-CE2 3.48Å; I325-W348 HydrophobicContact CG1-CE3 3.72Å; I325-W348 HydrophobicContact CG1-CG 4.31Å; I325-W348 HydrophobicContact CG1-CH2 3.69Å; I325-W348 HydrophobicContact CG1-CZ2 3.56Å; I325-W348 HydrophobicContact CG1-CZ3 3.76Å; Y329-W348 HydrophobicContact CE2-CE3 4.24Å; Y329-W348 AromaticContact CE2-CZ3 3.86Å; Y329-W348 HydrophobicContact CE2-CZ3 3.86Å; K344-W348 WeakPolarHBondContact O-CB 3.49Å; K344-W348 PolarHBondContact O-N 3.45Å; E346-W348 PolarHBondContact O-N 3.1Å; W348-L351 PolarHBondContact O-N 3.03Å; W348-Y352 AromaticContact CH2-CD2 3.86Å; W348-Y352 HydrophobicContact CH2-CD2 3.86Å; W348-Y352 HydrophobicContact CH2-CG 4.46Å; W348-Y352 AromaticContact CZ2-CD2 3.73Å; W348-Y352 HydrophobicContact CZ2-CD2 3.73Å; W348-Y352 HydrophobicContact CZ2-CE2 4.48Å; W348-Y352 HydrophobicContact CZ2-CG 4.04Å; W348-Y352 WeakPolarHBondContact O-CB 3.3Å; W348-Y352 PolarHBondContact O-N 3.17Å
349	R	88.7	Confident	81.4	Confident	35 Å²	35	70.4 Å²	70.4	13%	0.132	34%	0.338	C	S	.	.	H	α-helix	trans	-67.7	-39.4	179.8	-77.2	176.1	64.3	75.6	2.7	112.2	V314 I345 E346 Y352 L353	V314-R349 PolarHBondContact O-NH2 3.17Å; I345-R349 HydrophobicContact CG2-CG 4.35Å; I345-R349 VanDerWaalsContact O-CB 3.25Å; I345-R349 WeakPolarHBondContact O-CB 3.48Å; I345-R349 WeakPolarHBondContact O-CG 3.48Å; I345-R349 PolarHBondContact O-N 3.12Å; E346-R349 PolarHBondContact O-N 2.99Å; R349-Y352 PolarHBondContact O-N 3.17Å; R349-L353 HydrophobicContact CB-CD1 4.03Å; R349-L353 WeakPolarHBondContact O-CB 3.42Å; R349-L353 WeakPolarHBondContact O-CG 3.39Å; R349-L353 PolarHBondContact O-N 3.18Å
350	E	85.8	Confident	81.7	Confident	114 Å²	114	68.8 Å²	68.8	53%	0.533	33%	0.331	S	S	.	.	H	α-helix	trans	-61	-46.7	176	-74.3	168.9	-177.6	0	0	111.1	E346 Y352 Q354	E346-E350 WeakPolarHBondContact O-CG 3.16Å; E346-E350 PolarHBondContact O-N 3.13Å; E350-Y352 PolarHBondContact O-N 2.97Å; E350-Q354 WeakPolarHBondContact O-CG 3.38Å; E350-Q354 PolarHBondContact O-N 3.24Å; E350-Q354 VanDerWaalsContact O-N 3.13Å
351	L	83.2	Confident	82.3	Confident	64 Å²	64	70.6 Å²	70.6	34%	0.335	34%	0.342	S	S	.	.	H	α-helix	trans	-61.6	-41.9	176.4	-68.3	169.8	0	0	0	113.1	T347 W348	T347-L351 WeakPolarHBondContact O-CG 3.34Å; T347-L351 PolarHBondContact O-N 3.03Å; W348-L351 PolarHBondContact O-N 3.03Å
352	Y	75.6	Confident	83	Confident	59 Å²	59	72 Å²	72	23%	0.231	35%	0.351	C	S	.	.	H	α-helix	trans	-80.8	-31.9	-177.5	-171.3	-92.4	0	0	0	113.6	N324 W348 R349 E350 E355 T356	N324-Y352 HydrophobicContact CB-CE2 4.19Å; N324-Y352 VanDerWaalsContact ND2-CE2 3.33Å; N324-Y352 WeakPolarHBondContact ND2-CE2 3.45Å; N324-Y352 VanDerWaalsContact ND2-CZ 3.25Å; N324-Y352 PolarHBondContact ND2-OH 2.66Å; N324-Y352 VanDerWaalsContact ND2-OH 3.13Å; W348-Y352 AromaticContact CH2-CD2 3.86Å; W348-Y352 HydrophobicContact CH2-CD2 3.86Å; W348-Y352 HydrophobicContact CH2-CG 4.46Å; W348-Y352 AromaticContact CZ2-CD2 3.73Å; W348-Y352 HydrophobicContact CZ2-CD2 3.73Å; W348-Y352 HydrophobicContact CZ2-CE2 4.48Å; W348-Y352 HydrophobicContact CZ2-CG 4.04Å; W348-Y352 WeakPolarHBondContact O-CB 3.3Å; W348-Y352 PolarHBondContact O-N 3.17Å; R349-Y352 PolarHBondContact O-N 3.17Å; E350-Y352 PolarHBondContact O-N 2.97Å; Y352-E355 PolarHBondContact O-N 2.88Å; Y352-T356 PolarHBondContact O-N 3Å
353	L	68.3	Low	83.5	Confident	41 Å²	41	65.8 Å²	65.8	22%	0.215	32%	0.322	C	S	.	.	H	α-helix	trans	-85.3	-16.2	-178.6	-63.2	171.4	0	0	0	113.2	R349 E355 T356 F357	R349-L353 HydrophobicContact CB-CD1 4.03Å; R349-L353 WeakPolarHBondContact O-CB 3.42Å; R349-L353 WeakPolarHBondContact O-CG 3.39Å; R349-L353 PolarHBondContact O-N 3.18Å; L353-E355 PolarHBondContact O-N 2.9Å; L353-T356 VanDerWaalsContact CD2-O 3.28Å; L353-T356 WeakPolarHBondContact CD2-O 3.33Å; L353-T356 CarbonylContact O-C 3.59Å; L353-T356 PolarHBondContact O-N 2.74Å; L353-F357 PolarHBondContact O-N 3.42Å; L353-F357 VanDerWaalsContact O-N 3.11Å
354	Q	62.6	Low	83.8	Confident	159 Å²	159	65.4 Å²	65.4	74%	0.743	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-34	164.4	-80.9	169.1	21.9	0	0	111.6	E350	E350-Q354 WeakPolarHBondContact O-CG 3.38Å; E350-Q354 PolarHBondContact O-N 3.24Å; E350-Q354 VanDerWaalsContact O-N 3.13Å
355	E	60.6	Low	84	Confident	113 Å²	113	62.2 Å²	62.2	53%	0.528	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-33.8	176	-66.8	168.1	-167.5	0	0	112.4	R328 Y352 L353	R328-E355 IonicContact CZ-OE1 2.85Å; R328-E355 VanDerWaalsContact NH1-CD 3.31Å; R328-E355 IonicContact NH1-OE1 2.63Å; R328-E355 PolarHBondContact NH1-OE1 2.91Å; R328-E355 IonicContact NH1-OE2 2.65Å; R328-E355 PolarHBondContact NH1-OE2 2.58Å; R328-E355 VanDerWaalsContact NH1-OE2 3.08Å; R328-E355 IonicContact NH2-OE1 2.66Å; R328-E355 PolarHBondContact NH2-OE1 3.01Å; Y352-E355 PolarHBondContact O-N 2.88Å; L353-E355 PolarHBondContact O-N 2.9Å
356	T	63.2	Low	84.1	Confident	49 Å²	49	66.8 Å²	66.8	30%	0.301	34%	0.336	S	S	.	.			trans	-148.5	102.6	172.4	52.2	0	0	0	0	113.2	Y352 L353 K358	Y352-T356 PolarHBondContact O-N 3Å; L353-T356 VanDerWaalsContact CD2-O 3.28Å; L353-T356 WeakPolarHBondContact CD2-O 3.33Å; L353-T356 CarbonylContact O-C 3.59Å; L353-T356 PolarHBondContact O-N 2.74Å; T356-K358 PolarHBondContact O-N 2.84Å
357	F	65.1	Low	84.3	Confident	170 Å²	170	67 Å²	67	75%	0.746	34%	0.341	S	S	*	.			trans	-68.1	125.2	171.2	-177	-96.6	0	0	0	110.7	L353 P359	L353-F357 PolarHBondContact O-N 3.42Å; L353-F357 VanDerWaalsContact O-N 3.11Å; F357-P359 HydrophobicContact CE1-CB 4.4Å
358	K	78.3	Confident	84.6	Confident	121 Å²	121	65.4 Å²	65.4	53%	0.526	33%	0.333	S	S	.	.			trans	-140.5	116.5	175.3	-65.4	-170.2	178.7	-170.7	0	110.2	T356	T356-K358 PolarHBondContact O-N 2.84Å
359	P	85.6	Confident	85	Confident	94 Å²	94	65.2 Å²	65.2	61%	0.61	33%	0.332	S	S	*	.			trans	-69.8	163.4	176.7	30.2	-34.9	0	0	0	111.6	F357 V361	F357-P359 HydrophobicContact CE1-CB 4.4Å; P359-V361 PolarHBondContact O-N 3.05Å; P359-V361 VanDerWaalsContact O-N 3.09Å
360	L	92.3	Very high	85.4	Confident	30 Å²	30	64.9 Å²	64.9	16%	0.157	33%	0.332	C	S	.	.			trans	-72.7	103	177	178.3	58.5	0	0	0	111.4	F313 M316 N362 P385 I387	F313-L360 HydrophobicContact CB-CD2 3.62Å; F313-L360 WeakPolarHBondContact O-CD2 3.48Å; M316-L360 HydrophobicContact CG-CD1 4Å; M316-L360 HydrophobicContact SD-CD1 4.47Å; L360-N362 PolarHBondContact O-N 3.05Å; L360-N362 PolarHBondContact O-ND2 3.17Å; L360-P385 HydrophobicContact CD1-CG 4.04Å; L360-P385 HydrophobicContact CG-CG 4.48Å; L360-I387 HydrophobicContact CD2-CD1 4.34Å
361	V	95.4	Very high	85.9	Confident	41 Å²	41	62.7 Å²	62.7	25%	0.248	32%	0.324	C	S	.	.			trans	-64.7	122.7	164.4	-172.7	0	0	0	0	108.8	P359 S375 N379 I381 L384 P385	P359-V361 PolarHBondContact O-N 3.05Å; P359-V361 VanDerWaalsContact O-N 3.09Å; V361-S375 WeakPolarHBondContact CG1-OG 3.48Å; V361-N379 HydrophobicContact CG2-CB 4.18Å; V361-I381 HydrophobicContact CB-CD1 3.93Å; V361-I381 HydrophobicContact CG1-CD1 3.94Å; V361-L384 HydrophobicContact CG1-CD1 3.85Å; V361-P385 WeakPolarHBondContact O-CD 3.25Å
362	N	96.5	Very high	86.6	Confident	80 Å²	80	59.7 Å²	59.7	43%	0.428	31%	0.308	S	S	.	.			trans	-141.1	174.9	-180	67.7	91.6	0	0	0	109.4	L360 P385 I387	L360-N362 PolarHBondContact O-N 3.05Å; L360-N362 PolarHBondContact O-ND2 3.17Å; N362-P385 WeakPolarHBondContact CA-O 3.12Å; N362-P385 HydrophobicContact CB-CG 4.01Å; N362-I387 HydrophobicContact CB-CD1 3.75Å; N362-I387 HydrophobicContact CB-CG1 4.14Å
363	I	97.8	Very high	87.6	Confident	15 Å²	15	56.9 Å²	56.9	8%	0.077	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-144.9	145.2	179.2	-165.4	157.8	0	0	0	112.1	C269 A367 D371 A372 L384 P385 V386 I387 L398	C269-I363 VanDerWaalsContact SG-CD1 3.58Å; I363-A367 HydrophobicContact CD1-CB 3.97Å; I363-A367 HydrophobicContact CG1-CB 3.7Å; I363-D371 HydrophobicContact CD1-CB 4.06Å; I363-A372 HydrophobicContact CD1-CB 3.93Å; I363-L384 HydrophobicContact CB-CD1 4.38Å; I363-L384 HydrophobicContact CB-CD2 4.05Å; I363-L384 HydrophobicContact CB-CG 4.23Å; I363-L384 HydrophobicContact CD1-CD2 4.2Å; I363-L384 HydrophobicContact CG2-CD1 4.42Å; I363-L384 HydrophobicContact CG2-CD2 3.76Å; I363-L384 HydrophobicContact CG2-CG 3.79Å; I363-P385 PolarHBondContact N-O 3.25Å; I363-V386 HydrophobicContact CG2-CG2 4.09Å; I363-V386 CarbonylContact O-C 3.55Å; I363-V386 VanDerWaalsContact O-CA 3.31Å; I363-V386 WeakPolarHBondContact O-CA 3.47Å; I363-I387 PolarHBondContact O-N 3.15Å; I363-L398 HydrophobicContact CG2-CD1 4.13Å
364	S	97.8	Very high	88.9	Confident	34 Å²	34	58.2 Å²	58.2	24%	0.238	30%	0.299	C	S	.	.			trans	-70.2	144.2	173.4	172.8	0	0	0	0	111.2	C269 D366 A367	C269-S364 WeakPolarHBondContact CB-O 3.34Å; S364-D366 PolarHBondContact O-N 3.11Å; S364-D366 PolarHBondContact OG-N 2.99Å; S364-A367 PolarHBondContact O-N 3.11Å
365	P	97.6	Very high	90.5	Very high	11 Å²	11	51.5 Å²	51.5	7%	0.071	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-27.1	170.8	23.6	-34.3	0	0	0	113.6	C269 Y270 V386 I387 D388 L395	C269-P365 PolarHBondContact N-O 2.89Å; Y270-P365 HydrophobicContact CD2-CB 4.14Å; Y270-P365 PolarHBondContact N-O 3.19Å; P365-V386 HydrophobicContact CB-CG1 3.92Å; P365-I387 VanDerWaalsContact CD-O 3.3Å; P365-I387 WeakPolarHBondContact CD-O 3.33Å; P365-D388 HydrophobicContact CG-CB 4.46Å; P365-L395 HydrophobicContact CB-CD1 4.03Å; P365-L395 HydrophobicContact CG-CD1 4.05Å
366	D	97.3	Very high	92.2	Very high	96 Å²	96	46.1 Å²	46.1	51%	0.513	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-13.3	-179.6	-77.1	-59.5	0	0	0	115	K268 S364	K268-D366 WeakPolarHBondContact CE-OD1 3.25Å; K268-D366 IonicContact NZ-OD1 2.98Å; K268-D366 PolarHBondContact NZ-OD1 3.4Å; S364-D366 PolarHBondContact O-N 3.11Å; S364-D366 PolarHBondContact OG-N 2.99Å
367	A	97.9	Very high	93.6	Very high	27 Å²	27	45.1 Å²	45.1	22%	0.223	24%	0.237	C	C	.	.	S	Bend	trans	-74.3	159.4	177.7	0	0	0	0	0	111.6	K268 C269 I363 S364	K268-A367 CarbonylContact C-O 3.58Å; K268-A367 WeakPolarHBondContact CA-O 3.47Å; C269-A367 PolarHBondContact N-O 3.13Å; C269-A367 PolarHBondContact SG-O 2.95Å; I363-A367 HydrophobicContact CD1-CB 3.97Å; I363-A367 HydrophobicContact CG1-CB 3.7Å; S364-A367 PolarHBondContact O-N 3.11Å
368	S	98	Very high	94.9	Very high	16 Å²	16	42.7 Å²	42.7	11%	0.112	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-78.1	159.6	-173.3	75.9	0	0	0	0	113.2	H267 C269 F370 D371 A372	H267-S368 CarbonylContact O-C 3.56Å; H267-S368 VanDerWaalsContact O-CA 3.3Å; H267-S368 WeakPolarHBondContact O-CA 3.49Å; C269-S368 PolarHBondContact SG-O 3.3Å; S368-F370 PolarHBondContact O-N 3.38Å; S368-F370 PolarHBondContact OG-N 3Å; S368-D371 WeakPolarHBondContact CB-OD2 3.35Å; S368-D371 PolarHBondContact N-OD2 3.28Å; S368-D371 WeakPolarHBondContact O-CB 3.39Å; S368-D371 PolarHBondContact O-N 2.93Å; S368-D371 PolarHBondContact OG-N 2.94Å; S368-D371 VanDerWaalsContact OG-N 3.16Å; S368-D371 PolarHBondContact OG-OD2 3.08Å; S368-A372 PolarHBondContact O-N 3.44Å; S368-A372 VanDerWaalsContact O-N 3.12Å
369	L	97.3	Very high	95.6	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-66.1	-24.7	171.3	-64.2	-178.4	0	0	0	112.3	M264 H267 K268 I272 A372 V373 F406	M264-L369 HydrophobicContact CB-CB 4.38Å; M264-L369 PolarHBondContact O-N 3.26Å; M264-L369 VanDerWaalsContact O-N 3.13Å; M264-L369 HydrophobicContact SD-CB 3.53Å; M264-L369 VanDerWaalsContact SD-CB 3.53Å; M264-L369 HydrophobicContact SD-CD1 3.92Å; M264-L369 HydrophobicContact SD-CG 4.39Å; H267-L369 HydrophobicContact CB-CD1 3.79Å; H267-L369 HydrophobicContact CB-CG 4.2Å; H267-L369 PolarHBondContact O-N 3.16Å; K268-L369 WeakPolarHBondContact O-CD2 3.14Å; I272-L369 HydrophobicContact CB-CD2 4.47Å; I272-L369 HydrophobicContact CG2-CD2 3.7Å; L369-A372 PolarHBondContact O-N 3.33Å; L369-V373 WeakPolarHBondContact O-CG2 3.49Å; L369-V373 PolarHBondContact O-N 3.16Å; L369-F406 HydrophobicContact CD1-CD1 3.71Å; L369-F406 HydrophobicContact CD1-CE1 3.57Å; L369-F406 HydrophobicContact CD1-CZ 4.42Å
370	F	96.6	Very high	95.9	Very high	29 Å²	29	44.8 Å²	44.8	13%	0.127	23%	0.229	C	C	.	.	H	α-helix	trans	-61.9	-46.5	170	177.1	-89.6	0	0	0	110.9	M261 M264 R265 S368 A372 V373 Y374 I554 L555	M261-F370 HydrophobicContact CE-CE2 4.39Å; M261-F370 HydrophobicContact CG-CD2 3.68Å; M261-F370 HydrophobicContact CG-CE2 3.58Å; M261-F370 HydrophobicContact SD-CE2 4.03Å; M264-F370 HydrophobicContact CB-CB 4.07Å; M264-F370 PolarHBondContact O-N 2.72Å; R265-F370 HydrophobicContact CG-CB 3.66Å; R265-F370 HydrophobicContact CG-CD1 4.24Å; R265-F370 HydrophobicContact CG-CD2 4.16Å; R265-F370 HydrophobicContact CG-CG 3.76Å; S368-F370 PolarHBondContact O-N 3.38Å; S368-F370 PolarHBondContact OG-N 3Å; F370-A372 VanDerWaalsContact C-N 3.31Å; F370-A372 PolarHBondContact O-N 3.18Å; F370-V373 PolarHBondContact O-N 3.43Å; F370-Y374 WeakPolarHBondContact O-CB 3.37Å; F370-Y374 PolarHBondContact O-N 3.27Å; F370-I554 HydrophobicContact CD2-CG2 3.62Å; F370-I554 HydrophobicContact CE2-CG2 4.13Å; F370-L555 HydrophobicContact CD2-CD2 4.48Å; F370-L555 HydrophobicContact CE2-CD2 3.9Å; F370-L555 HydrophobicContact CZ-CD2 4.09Å
371	D	97	Very high	96	Very high	68 Å²	68	45.6 Å²	45.6	36%	0.364	23%	0.233	S	C	.	.	H	α-helix	trans	-63.3	-37.7	176.7	-53.3	-50.3	0	0	0	111.5	I363 S368 S375	I363-D371 HydrophobicContact CD1-CB 4.06Å; S368-D371 WeakPolarHBondContact CB-OD2 3.35Å; S368-D371 PolarHBondContact N-OD2 3.28Å; S368-D371 WeakPolarHBondContact O-CB 3.39Å; S368-D371 PolarHBondContact O-N 2.93Å; S368-D371 PolarHBondContact OG-N 2.94Å; S368-D371 VanDerWaalsContact OG-N 3.16Å; S368-D371 PolarHBondContact OG-OD2 3.08Å; D371-S375 WeakPolarHBondContact O-CB 3.42Å; D371-S375 PolarHBondContact O-N 2.58Å
372	A	97.3	Very high	95.9	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-62.4	-44.9	174.7	0	0	0	0	0	112.6	I363 S368 L369 F370 S375 L376 L384 L398 I403	I363-A372 HydrophobicContact CD1-CB 3.93Å; S368-A372 PolarHBondContact O-N 3.44Å; S368-A372 VanDerWaalsContact O-N 3.12Å; L369-A372 PolarHBondContact O-N 3.33Å; F370-A372 VanDerWaalsContact C-N 3.31Å; F370-A372 PolarHBondContact O-N 3.18Å; A372-S375 PolarHBondContact O-N 2.98Å; A372-L376 WeakPolarHBondContact O-CB 3.39Å; A372-L376 VanDerWaalsContact O-CG 3.25Å; A372-L376 WeakPolarHBondContact O-CG 3.43Å; A372-L376 PolarHBondContact O-N 3.38Å; A372-L384 HydrophobicContact CB-CD2 4.01Å; A372-L398 HydrophobicContact CB-CD1 3.88Å; A372-I403 HydrophobicContact CB-CD1 4.38Å
373	V	96.9	Very high	95.9	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-67	-45.9	178	169.1	0	0	0	0	111.1	L369 F370 S375 L376 I377 I403 L550 I554 L555	L369-V373 WeakPolarHBondContact O-CG2 3.49Å; L369-V373 PolarHBondContact O-N 3.16Å; F370-V373 PolarHBondContact O-N 3.43Å; V373-S375 VanDerWaalsContact C-N 3.33Å; V373-S375 PolarHBondContact O-N 2.97Å; V373-L376 PolarHBondContact O-N 2.87Å; V373-I377 HydrophobicContact CG1-CD1 3.71Å; V373-I377 WeakPolarHBondContact O-CB 3.45Å; V373-I377 WeakPolarHBondContact O-CG1 3.21Å; V373-I377 PolarHBondContact O-N 3.41Å; V373-I403 HydrophobicContact CG2-CD1 4.11Å; V373-I403 HydrophobicContact CG2-CG2 3.72Å; V373-L550 HydrophobicContact CG1-CB 4.22Å; V373-I554 HydrophobicContact CG1-CB 4.36Å; V373-I554 HydrophobicContact CG1-CD1 4.11Å; V373-I554 HydrophobicContact CG1-CG2 4.33Å; V373-I554 HydrophobicContact CG2-CD1 3.99Å; V373-L555 HydrophobicContact CG1-CD1 4.49Å; V373-L555 HydrophobicContact CG1-CD2 4.35Å; V373-L555 HydrophobicContact CG1-CG 4.2Å
374	Y	96	Very high	95.9	Very high	70 Å²	70	45.5 Å²	45.5	28%	0.275	23%	0.225	S	C	.	.	H	α-helix	trans	-57.7	-45.4	174.2	-179.3	-107.3	0	0	0	111.6	L246 F370 I377 K378 L555	L246-Y374 WeakPolarHBondContact CD1-OH 3.08Å; F370-Y374 WeakPolarHBondContact O-CB 3.37Å; F370-Y374 PolarHBondContact O-N 3.27Å; Y374-I377 PolarHBondContact O-N 3.04Å; Y374-K378 HydrophobicContact CD1-CD 4.47Å; Y374-K378 HydrophobicContact CE1-CD 3.63Å; Y374-K378 HydrophobicContact CE2-CD 4.36Å; Y374-K378 WeakPolarHBondContact O-CB 3.47Å; Y374-K378 PolarHBondContact O-N 3.47Å; Y374-K378 WeakPolarHBondContact OH-CD 3.37Å; Y374-K378 PolarHBondContact OH-NZ 3.04Å; Y374-L555 HydrophobicContact CD2-CD1 4.36Å; Y374-L555 HydrophobicContact CD2-CD2 4.19Å
375	S	96.3	Very high	95.9	Very high	18 Å²	18	43.9 Å²	43.9	13%	0.126	21%	0.213	C	C	.	.	H	α-helix	trans	-65	-43.2	178.8	-175.6	0	0	0	0	113	V361 D371 A372 V373 N379	V361-S375 WeakPolarHBondContact CG1-OG 3.48Å; D371-S375 WeakPolarHBondContact O-CB 3.42Å; D371-S375 PolarHBondContact O-N 2.58Å; A372-S375 PolarHBondContact O-N 2.98Å; V373-S375 VanDerWaalsContact C-N 3.33Å; V373-S375 PolarHBondContact O-N 2.97Å; S375-N379 WeakPolarHBondContact O-CB 3.26Å; S375-N379 PolarHBondContact O-N 2.84Å; S375-N379 PolarHBondContact O-ND2 3.4Å
376	L	95.6	Very high	95.9	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-59.9	-46.7	175.4	-75.1	163.3	0	0	0	111.7	A372 V373 K380 I381 L384 H400 I403	A372-L376 WeakPolarHBondContact O-CB 3.39Å; A372-L376 VanDerWaalsContact O-CG 3.25Å; A372-L376 WeakPolarHBondContact O-CG 3.43Å; A372-L376 PolarHBondContact O-N 3.38Å; V373-L376 PolarHBondContact O-N 2.87Å; L376-K380 PolarHBondContact O-N 3.42Å; L376-K380 VanDerWaalsContact O-N 3.16Å; L376-I381 HydrophobicContact CD2-CG1 4.25Å; L376-I381 WeakPolarHBondContact CD2-O 3.47Å; L376-I381 PolarHBondContact O-N 2.9Å; L376-L384 HydrophobicContact CD2-CB 3.66Å; L376-L384 HydrophobicContact CG-CB 4.09Å; L376-L384 HydrophobicContact CG-CD2 4.28Å; L376-H400 WeakPolarHBondContact CB-NE2 3.32Å; L376-I403 HydrophobicContact CD1-CD1 3.56Å
377	I	93.3	Very high	95.8	Very high	27 Å²	27	39.8 Å²	39.8	14%	0.138	19%	0.19	C	C	.	.	H	α-helix	trans	-74.3	-50.5	-175.7	-68	167	0	0	0	111.4	V373 Y374 N379 K380 Q551 L555	V373-I377 HydrophobicContact CG1-CD1 3.71Å; V373-I377 WeakPolarHBondContact O-CB 3.45Å; V373-I377 WeakPolarHBondContact O-CG1 3.21Å; V373-I377 PolarHBondContact O-N 3.41Å; Y374-I377 PolarHBondContact O-N 3.04Å; I377-N379 VanDerWaalsContact C-N 3.32Å; I377-N379 PolarHBondContact O-N 2.93Å; I377-K380 WeakPolarHBondContact O-CG 3.38Å; I377-K380 PolarHBondContact O-N 3.16Å; I377-Q551 HydrophobicContact CD1-CB 3.96Å; I377-L555 HydrophobicContact CB-CD1 4.03Å; I377-L555 HydrophobicContact CD1-CD1 3.58Å; I377-L555 HydrophobicContact CD1-CG 4.31Å; I377-L555 HydrophobicContact CG1-CD1 4.39Å; I377-L555 HydrophobicContact CG2-CD1 4.04Å
378	K	92.8	Very high	95.7	Very high	119 Å²	119	39.8 Å²	39.8	52%	0.517	19%	0.187	S	C	.	.	H	α-helix	trans	-56.7	-43.7	-179.9	-179.6	168.9	-175	172.1	0	112.2	Y374 K380	Y374-K378 HydrophobicContact CD1-CD 4.47Å; Y374-K378 HydrophobicContact CE1-CD 3.63Å; Y374-K378 HydrophobicContact CE2-CD 4.36Å; Y374-K378 WeakPolarHBondContact O-CB 3.47Å; Y374-K378 PolarHBondContact O-N 3.47Å; Y374-K378 WeakPolarHBondContact OH-CD 3.37Å; Y374-K378 PolarHBondContact OH-NZ 3.04Å; K378-K380 VanDerWaalsContact C-N 3.31Å
379	N	91.9	Very high	95.6	Very high	73 Å²	73	43.6 Å²	43.6	39%	0.39	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-4.5	-179.9	-62	-74.1	0	0	0	113.4	V361 S375 I377 I381	V361-N379 HydrophobicContact CG2-CB 4.18Å; S375-N379 WeakPolarHBondContact O-CB 3.26Å; S375-N379 PolarHBondContact O-N 2.84Å; S375-N379 PolarHBondContact O-ND2 3.4Å; I377-N379 VanDerWaalsContact C-N 3.32Å; I377-N379 PolarHBondContact O-N 2.93Å; N379-I381 VanDerWaalsContact C-N 3.34Å; N379-I381 HydrophobicContact CB-CD1 4.03Å; N379-I381 HydrophobicContact CB-CG1 4.03Å; N379-I381 HydrophobicContact CB-CG2 4.3Å; N379-I381 PolarHBondContact O-N 3.27Å
380	K	92.1	Very high	95.4	Very high	187 Å²	187	51 Å²	51	81%	0.813	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.4	45.9	-177.5	-56.3	-173.8	-179.4	-174.3	0	112.7	L376 I377 K378	L376-K380 PolarHBondContact O-N 3.42Å; L376-K380 VanDerWaalsContact O-N 3.16Å; I377-K380 WeakPolarHBondContact O-CG 3.38Å; I377-K380 PolarHBondContact O-N 3.16Å; K378-K380 VanDerWaalsContact C-N 3.31Å
381	I	93.8	Very high	95.2	Very high	47 Å²	47	52.7 Å²	52.7	24%	0.241	27%	0.265	C	S	.	.			trans	-115.9	148.4	-177.7	57.5	178.2	0	0	0	111.8	V361 L376 N379 L384 H400	V361-I381 HydrophobicContact CB-CD1 3.93Å; V361-I381 HydrophobicContact CG1-CD1 3.94Å; L376-I381 HydrophobicContact CD2-CG1 4.25Å; L376-I381 WeakPolarHBondContact CD2-O 3.47Å; L376-I381 PolarHBondContact O-N 2.9Å; N379-I381 VanDerWaalsContact C-N 3.34Å; N379-I381 HydrophobicContact CB-CD1 4.03Å; N379-I381 HydrophobicContact CB-CG1 4.03Å; N379-I381 HydrophobicContact CB-CG2 4.3Å; N379-I381 PolarHBondContact O-N 3.27Å; I381-L384 HydrophobicContact CD1-CD1 4.38Å; I381-H400 PolarHBondContact O-CE1 3.31Å
382	H	94	Very high	95	Very high	75 Å²	75	51.2 Å²	51.2	35%	0.347	27%	0.265	S	S	.	.	S	Bend	trans	-103.4	0.3	-179.7	-54.3	131.4	0	0	0	114	H400	H382-H400 AromaticContact CD2-ND1 4Å
383	R	95.9	Very high	94.8	Very high	59 Å²	59	55.6 Å²	55.6	22%	0.223	29%	0.289	C	S	.	.			trans	-142	121.2	-174.5	-56.1	-66.6	170.1	-176.5	-9.3	107.4	A302 M316 I397 L398 T399	A302-R383 HydrophobicContact CB-CG 3.91Å; M316-R383 HydrophobicContact CE-CB 4.47Å; R383-I397 HydrophobicContact CB-CG2 3.88Å; R383-I397 HydrophobicContact CG-CG2 4.46Å; R383-L398 WeakPolarHBondContact CA-O 3.34Å; R383-T399 VanDerWaalsContact NH1-CG2 3.31Å
384	L	97.8	Very high	94.7	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	108	176.5	176.7	65.6	0	0	0	108.1	V361 I363 A372 L376 I381 V386 L398	V361-L384 HydrophobicContact CG1-CD1 3.85Å; I363-L384 HydrophobicContact CB-CD1 4.38Å; I363-L384 HydrophobicContact CB-CD2 4.05Å; I363-L384 HydrophobicContact CB-CG 4.23Å; I363-L384 HydrophobicContact CD1-CD2 4.2Å; I363-L384 HydrophobicContact CG2-CD1 4.42Å; I363-L384 HydrophobicContact CG2-CD2 3.76Å; I363-L384 HydrophobicContact CG2-CG 3.79Å; A372-L384 HydrophobicContact CB-CD2 4.01Å; L376-L384 HydrophobicContact CD2-CB 3.66Å; L376-L384 HydrophobicContact CG-CB 4.09Å; L376-L384 HydrophobicContact CG-CD2 4.28Å; I381-L384 HydrophobicContact CD1-CD1 4.38Å; L384-V386 PolarHBondContact O-N 3.12Å; L384-L398 HydrophobicContact CB-CB 4.29Å; L384-L398 PolarHBondContact N-O 3.45Å; L384-L398 PolarHBondContact O-N 3.32Å
385	P	97.6	Very high	94.7	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	131.7	178	28	-33	0	0	0	110.6	M316 L360 V361 N362 I363 I387 Y396	M316-P385 HydrophobicContact SD-CB 4.14Å; M316-P385 HydrophobicContact SD-CG 3.89Å; L360-P385 HydrophobicContact CD1-CG 4.04Å; L360-P385 HydrophobicContact CG-CG 4.48Å; V361-P385 WeakPolarHBondContact O-CD 3.25Å; N362-P385 WeakPolarHBondContact CA-O 3.12Å; N362-P385 HydrophobicContact CB-CG 4.01Å; I363-P385 PolarHBondContact N-O 3.25Å; P385-I387 HydrophobicContact CB-CD1 4.45Å; P385-I387 HydrophobicContact CB-CG1 4.23Å; P385-I387 HydrophobicContact CG-CD1 4.48Å; P385-Y396 WeakPolarHBondContact CA-O 3.29Å
386	V	97.9	Very high	94.7	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	118.4	167.4	-173.3	0	0	0	0	107	I363 P365 L384 A394 L395 Y396 L398	I363-V386 HydrophobicContact CG2-CG2 4.09Å; I363-V386 CarbonylContact O-C 3.55Å; I363-V386 VanDerWaalsContact O-CA 3.31Å; I363-V386 WeakPolarHBondContact O-CA 3.47Å; P365-V386 HydrophobicContact CB-CG1 3.92Å; L384-V386 PolarHBondContact O-N 3.12Å; V386-A394 CarbonylContact O-C 3.55Å; V386-A394 WeakPolarHBondContact O-CA 3.37Å; V386-L395 HydrophobicContact CG1-CD1 4.49Å; V386-L395 PolarHBondContact O-N 3.41Å; V386-Y396 PolarHBondContact N-O 2.91Å; V386-L398 HydrophobicContact CG2-CD1 3.64Å; V386-L398 HydrophobicContact CG2-CD2 4.43Å; V386-L398 HydrophobicContact CG2-CG 3.58Å
387	I	96.8	Very high	94.8	Very high	20 Å²	20	57.4 Å²	57.4	10%	0.103	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	126.8	-179.6	-55.6	-177.7	0	0	0	107.6	F313 L360 N362 I363 P365 P385 P389 N393 A394	F313-I387 HydrophobicContact CB-CD1 4.08Å; F313-I387 HydrophobicContact CD2-CD1 4.07Å; F313-I387 HydrophobicContact CG-CD1 4.24Å; L360-I387 HydrophobicContact CD2-CD1 4.34Å; N362-I387 HydrophobicContact CB-CD1 3.75Å; N362-I387 HydrophobicContact CB-CG1 4.14Å; I363-I387 PolarHBondContact O-N 3.15Å; P365-I387 VanDerWaalsContact CD-O 3.3Å; P365-I387 WeakPolarHBondContact CD-O 3.33Å; P385-I387 HydrophobicContact CB-CD1 4.45Å; P385-I387 HydrophobicContact CB-CG1 4.23Å; P385-I387 HydrophobicContact CG-CD1 4.48Å; I387-P389 WeakPolarHBondContact O-CD 3.44Å; I387-N393 WeakPolarHBondContact CA-O 3.37Å; I387-A394 HydrophobicContact CG1-CB 4.25Å
388	D	95.8	Very high	95	Very high	28 Å²	28	56.1 Å²	56.1	15%	0.15	30%	0.295	C	S	.	.			trans	-70.7	118.9	172.1	168.4	27.7	0	0	0	109.9	P365 I390 S391 G392 N393 L395	P365-D388 HydrophobicContact CG-CB 4.46Å; D388-I390 PolarHBondContact O-N 3.14Å; D388-I390 WeakPolarHBondContact OD1-CB 3.44Å; D388-I390 PolarHBondContact OD1-N 3.5Å; D388-S391 WeakPolarHBondContact OD2-CB 3.49Å; D388-S391 PolarHBondContact OD2-N 2.86Å; D388-S391 PolarHBondContact OD2-OG 3.31Å; D388-G392 WeakPolarHBondContact O-CA 3.44Å; D388-G392 PolarHBondContact O-N 3.36Å; D388-N393 PolarHBondContact N-O 2.97Å; D388-L395 HydrophobicContact CB-CD1 4.23Å; D388-L395 HydrophobicContact CB-CG 4.39Å
389	P	94.3	Very high	95.2	Very high	96 Å²	96	51 Å²	51	62%	0.623	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-15.4	178.4	30	-36.2	0	0	0	113.6	I387	I387-P389 WeakPolarHBondContact O-CD 3.44Å
390	I	93.6	Very high	95.3	Very high	155 Å²	155	48 Å²	48	80%	0.795	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-51.7	-178.3	-55.7	178.4	0	0	0	110.9	D388	D388-I390 PolarHBondContact O-N 3.14Å; D388-I390 WeakPolarHBondContact OD1-CB 3.44Å; D388-I390 PolarHBondContact OD1-N 3.5Å
391	S	93.2	Very high	95.4	Very high	65 Å²	65	41.2 Å²	41.2	46%	0.455	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-8.8	-180	70.4	0	0	0	0	114.6	D388 N393	D388-S391 WeakPolarHBondContact OD2-CB 3.49Å; D388-S391 PolarHBondContact OD2-N 2.86Å; D388-S391 PolarHBondContact OD2-OG 3.31Å; S391-N393 VanDerWaalsContact CB-ND2 3.3Å; S391-N393 WeakPolarHBondContact CB-ND2 3.5Å; S391-N393 PolarHBondContact O-N 3.03Å; S391-N393 PolarHBondContact OG-ND2 2.95Å
392	G	91.4	Very high	95.5	Very high	36 Å²	36	43.5 Å²	43.5	37%	0.371	23%	0.233	S	C	.	.			trans	72.3	0.6	-176.2	0	0	0	0	0	114.7	F313 D388	F313-G392 WeakPolarHBondContact CE2-O 3.42Å; D388-G392 WeakPolarHBondContact O-CA 3.44Å; D388-G392 PolarHBondContact O-N 3.36Å
393	N	94	Very high	95.6	Very high	93 Å²	93	40 Å²	40	50%	0.497	22%	0.217	S	C	.	.			trans	-75.9	132.6	-175.9	-72.3	-66.3	0	0	0	112.1	I387 D388 S391 L395	I387-N393 WeakPolarHBondContact CA-O 3.37Å; D388-N393 PolarHBondContact N-O 2.97Å; S391-N393 VanDerWaalsContact CB-ND2 3.3Å; S391-N393 WeakPolarHBondContact CB-ND2 3.5Å; S391-N393 PolarHBondContact O-N 3.03Å; S391-N393 PolarHBondContact OG-ND2 2.95Å; N393-L395 HydrophobicContact CB-CD2 4.26Å; N393-L395 PolarHBondContact O-N 3.19Å
394	A	95.1	Very high	95.6	Very high	16 Å²	16	37.1 Å²	37.1	13%	0.132	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	119.2	163.5	0	0	0	0	0	109.3	L279 F313 V386 I387	L279-A394 HydrophobicContact CD2-CB 3.68Å; L279-A394 WeakPolarHBondContact CD2-O 3.46Å; F313-A394 HydrophobicContact CD2-CB 4.42Å; F313-A394 HydrophobicContact CE1-CB 4.1Å; F313-A394 HydrophobicContact CE2-CB 3.78Å; F313-A394 HydrophobicContact CZ-CB 3.6Å; V386-A394 CarbonylContact O-C 3.55Å; V386-A394 WeakPolarHBondContact O-CA 3.37Å; I387-A394 HydrophobicContact CG1-CB 4.25Å
395	L	95.7	Very high	95.4	Very high	58 Å²	58	39.9 Å²	39.9	30%	0.304	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	-42.4	-175.4	-56	-178	0	0	0	112.2	P365 V386 D388 N393	P365-L395 HydrophobicContact CB-CD1 4.03Å; P365-L395 HydrophobicContact CG-CD1 4.05Å; V386-L395 HydrophobicContact CG1-CD1 4.49Å; V386-L395 PolarHBondContact O-N 3.41Å; D388-L395 HydrophobicContact CB-CD1 4.23Å; D388-L395 HydrophobicContact CB-CG 4.39Å; N393-L395 HydrophobicContact CB-CD2 4.26Å; N393-L395 PolarHBondContact O-N 3.19Å
396	Y	96.9	Very high	95.2	Very high	27 Å²	27	40.5 Å²	40.5	11%	0.106	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	172.3	-172.6	-166.7	-124.1	0	0	0	112.1	V273 P274 P385 V386 L398 R402	V273-Y396 HydrophobicContact CG1-CG 4.29Å; V273-Y396 HydrophobicContact CG2-CD1 4.17Å; V273-Y396 HydrophobicContact CG2-CG 4.23Å; P274-Y396 HydrophobicContact CG-CE2 4.11Å; P385-Y396 WeakPolarHBondContact CA-O 3.29Å; V386-Y396 PolarHBondContact N-O 2.91Å; Y396-L398 HydrophobicContact CD1-CD2 4.17Å; Y396-L398 HydrophobicContact CE1-CD2 4.37Å; Y396-R402 PolarHBondContact OH-NE 2.74Å
397	I	97.5	Very high	95	Very high	25 Å²	25	40.5 Å²	40.5	13%	0.128	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	106.8	173.5	-54.7	168.7	0	0	0	109.1	L279 P304 M316 R383	L279-I397 HydrophobicContact CD1-CD1 3.73Å; L279-I397 HydrophobicContact CD1-CG1 3.8Å; P304-I397 HydrophobicContact CG-CD1 4.45Å; M316-I397 HydrophobicContact CE-CD1 3.85Å; M316-I397 HydrophobicContact CE-CG1 4.26Å; M316-I397 HydrophobicContact CE-CG2 4.39Å; R383-I397 HydrophobicContact CB-CG2 3.88Å; R383-I397 HydrophobicContact CG-CG2 4.46Å
398	L	97.1	Very high	94.7	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	149.9	173.6	-68.6	173.9	0	0	0	111.7	C269 I272 I363 A372 R383 L384 V386 Y396	C269-L398 HydrophobicContact CB-CD1 4.1Å; I272-L398 HydrophobicContact CD1-CD2 4.32Å; I272-L398 HydrophobicContact CG2-CD2 3.46Å; I272-L398 VanDerWaalsContact CG2-CD2 3.46Å; I363-L398 HydrophobicContact CG2-CD1 4.13Å; A372-L398 HydrophobicContact CB-CD1 3.88Å; R383-L398 WeakPolarHBondContact CA-O 3.34Å; L384-L398 HydrophobicContact CB-CB 4.29Å; L384-L398 PolarHBondContact N-O 3.45Å; L384-L398 PolarHBondContact O-N 3.32Å; V386-L398 HydrophobicContact CG2-CD1 3.64Å; V386-L398 HydrophobicContact CG2-CD2 4.43Å; V386-L398 HydrophobicContact CG2-CG 3.58Å; Y396-L398 HydrophobicContact CD1-CD2 4.17Å; Y396-L398 HydrophobicContact CE1-CD2 4.37Å
399	T	96.3	Very high	94.4	Very high	11 Å²	11	43.7 Å²	43.7	7%	0.067	24%	0.237	C	C	.	.			trans	-151	149.6	-176.9	67.5	0	0	0	0	109.8	R383 K401 R402 I403	R383-T399 VanDerWaalsContact NH1-CG2 3.31Å; T399-K401 PolarHBondContact O-N 2.93Å; T399-R402 PolarHBondContact O-N 2.6Å; T399-R402 VanDerWaalsContact O-N 3.14Å; T399-R402 PolarHBondContact OG1-N 2.67Å; T399-R402 VanDerWaalsContact OG1-N 3.15Å; T399-I403 WeakPolarHBondContact O-CG1 3.37Å; T399-I403 PolarHBondContact O-N 3.39Å
400	H	95.8	Very high	94.1	Very high	9 Å²	9	39.5 Å²	39.5	4%	0.042	21%	0.209	C	C	.	.	H	α-helix	trans	-49	-42.8	172.1	-60.3	119.7	0	0	0	112.8	L376 I381 H382 R402 I403 L404 L546 S547 L550	L376-H400 WeakPolarHBondContact CB-NE2 3.32Å; I381-H400 PolarHBondContact O-CE1 3.31Å; H382-H400 AromaticContact CD2-ND1 4Å; H400-R402 PolarHBondContact O-N 3.15Å; H400-I403 PolarHBondContact O-N 2.89Å; H400-L404 WeakPolarHBondContact O-CB 3.45Å; H400-L404 PolarHBondContact O-N 3.33Å; H400-L546 HydrophobicContact CB-CB 3.75Å; H400-L546 HydrophobicContact CB-CD1 4.33Å; H400-S547 PolarHBondContact CE1-OG 3.29Å; H400-L550 HydrophobicContact CB-CD1 3.71Å
401	K	94.2	Very high	93.8	Very high	46 Å²	46	32.4 Å²	32.4	20%	0.2	17%	0.172	C	C	.	.	H	α-helix	trans	-63	-44.9	-179.7	-179.6	175.6	169.1	-179.2	0	112.6	T399 K405 E527 L546	T399-K401 PolarHBondContact O-N 2.93Å; K401-K405 VanDerWaalsContact O-CB 3.3Å; K401-K405 WeakPolarHBondContact O-CB 3.14Å; K401-K405 PolarHBondContact O-N 3.39Å; K401-E527 WeakPolarHBondContact CE-O 3.26Å; K401-E527 WeakPolarHBondContact CE-OE2 3.31Å; K401-E527 PolarHBondContact NZ-O 3.03Å; K401-E527 IonicContact NZ-OE2 2.69Å; K401-E527 PolarHBondContact NZ-OE2 3.04Å; K401-L546 HydrophobicContact CB-CD1 3.67Å; K401-L546 HydrophobicContact CG-CD1 4.42Å
402	R	95.2	Very high	93.1	Very high	95 Å²	95	33.7 Å²	33.7	36%	0.358	18%	0.181	S	C	.	.	H	α-helix	trans	-67.1	-43.3	177.8	-73.7	-71.7	-175.4	179.6	-2.7	110.7	I272 Y396 T399 H400 K405 F406	I272-R402 HydrophobicContact CD1-CB 4.25Å; Y396-R402 PolarHBondContact OH-NE 2.74Å; T399-R402 PolarHBondContact O-N 2.6Å; T399-R402 VanDerWaalsContact O-N 3.14Å; T399-R402 PolarHBondContact OG1-N 2.67Å; T399-R402 VanDerWaalsContact OG1-N 3.15Å; H400-R402 PolarHBondContact O-N 3.15Å; R402-K405 PolarHBondContact O-N 3.39Å; R402-F406 WeakPolarHBondContact O-CB 3.32Å; R402-F406 PolarHBondContact O-N 3.24Å
403	I	96.2	Very high	92.8	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-63.9	-45.6	-179	-64.7	167.1	0	0	0	111.4	M264 I272 A372 V373 L376 T399 H400 F406 L407 L550	M264-I403 HydrophobicContact CE-CG2 3.41Å; M264-I403 VanDerWaalsContact CE-CG2 3.41Å; M264-I403 HydrophobicContact SD-CG2 4.31Å; I272-I403 HydrophobicContact CD1-CB 4.39Å; I272-I403 HydrophobicContact CD1-CG1 3.93Å; A372-I403 HydrophobicContact CB-CD1 4.38Å; V373-I403 HydrophobicContact CG2-CD1 4.11Å; V373-I403 HydrophobicContact CG2-CG2 3.72Å; L376-I403 HydrophobicContact CD1-CD1 3.56Å; T399-I403 WeakPolarHBondContact O-CG1 3.37Å; T399-I403 PolarHBondContact O-N 3.39Å; H400-I403 PolarHBondContact O-N 2.89Å; I403-F406 PolarHBondContact O-N 2.9Å; I403-L407 PolarHBondContact O-N 3.43Å; I403-L550 HydrophobicContact CB-CD1 4.48Å; I403-L550 HydrophobicContact CG2-CD1 4.47Å; I403-L550 HydrophobicContact CG2-CD2 4.13Å
404	L	94.9	Very high	92.5	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-66.4	-39.7	176.4	-169.1	67.6	0	0	0	111.8	H400 F406 L407 Q408 V520 I523 V524 L546 I549 L550 L553	H400-L404 WeakPolarHBondContact O-CB 3.45Å; H400-L404 PolarHBondContact O-N 3.33Å; L404-F406 VanDerWaalsContact C-N 3.32Å; L404-F406 PolarHBondContact O-N 3.24Å; L404-L407 HydrophobicContact CD1-CD2 4.43Å; L404-L407 PolarHBondContact O-N 3.1Å; L404-Q408 WeakPolarHBondContact O-CB 3.46Å; L404-Q408 PolarHBondContact O-N 2.74Å; L404-V520 HydrophobicContact CD1-CG1 4.15Å; L404-V520 HydrophobicContact CD2-CG1 4.4Å; L404-V520 HydrophobicContact CG-CG1 4.41Å; L404-I523 HydrophobicContact CD2-CG2 3.91Å; L404-V524 HydrophobicContact CD2-CG2 3.74Å; L404-V524 HydrophobicContact CG-CG2 3.77Å; L404-L546 HydrophobicContact CB-CD2 4.41Å; L404-L546 HydrophobicContact CD2-CD2 3.43Å; L404-L546 VanDerWaalsContact CD2-CD2 3.43Å; L404-I549 HydrophobicContact CD1-CG2 3.9Å; L404-I549 HydrophobicContact CD2-CG2 4.01Å; L404-L550 HydrophobicContact CB-CD1 4.48Å; L404-L550 HydrophobicContact CB-CD2 4.17Å; L404-L550 HydrophobicContact CB-CG 4.46Å; L404-L550 HydrophobicContact CD1-CD2 3.87Å; L404-L550 HydrophobicContact CD1-CG 4.4Å; L404-L553 HydrophobicContact CD1-CD1 3.84Å
405	K	93.9	Very high	92	Very high	58 Å²	58	37.9 Å²	37.9	25%	0.252	20%	0.197	S	C	.	.	H	α-helix	trans	-64.5	-35.6	175	-170.7	168.7	-172.6	172.7	0	112.3	K401 R402 L409 V524 E527	K401-K405 VanDerWaalsContact O-CB 3.3Å; K401-K405 WeakPolarHBondContact O-CB 3.14Å; K401-K405 PolarHBondContact O-N 3.39Å; R402-K405 PolarHBondContact O-N 3.39Å; K405-L409 WeakPolarHBondContact O-CG 3.47Å; K405-L409 PolarHBondContact O-N 3.41Å; K405-V524 HydrophobicContact CB-CG1 4.22Å; K405-V524 HydrophobicContact CG-CG1 4.04Å; K405-E527 IonicContact NZ-OE1 2.68Å; K405-E527 PolarHBondContact NZ-OE1 3.2Å
406	F	94.3	Very high	91.6	Very high	12 Å²	12	39 Å²	39	5%	0.053	20%	0.2	C	C	.	.	H	α-helix	trans	-66.1	-46.3	173.5	-178.8	-92.9	0	0	0	111.4	F263 H267 D271 I272 L369 R402 I403 L404 Q408 L409 F410	F263-F406 HydrophobicContact CE1-CD1 4.07Å; F263-F406 AromaticContact CE1-CE1 3.82Å; F263-F406 HydrophobicContact CE1-CE1 3.82Å; F263-F406 HydrophobicContact CZ-CD1 4.28Å; F263-F406 AromaticContact CZ-CE1 3.78Å; F263-F406 HydrophobicContact CZ-CE1 3.78Å; H267-F406 HydrophobicContact CB-CE1 4.34Å; D271-F406 HydrophobicContact CB-CZ 4.25Å; D271-F406 WeakPolarHBondContact O-CE2 3.15Å; I272-F406 HydrophobicContact CB-CD2 4.02Å; I272-F406 HydrophobicContact CB-CE2 4.3Å; I272-F406 HydrophobicContact CB-CG 4.33Å; I272-F406 HydrophobicContact CD1-CB 3.6Å; I272-F406 HydrophobicContact CD1-CD2 4.41Å; I272-F406 HydrophobicContact CD1-CG 4Å; I272-F406 HydrophobicContact CG1-CB 4.03Å; I272-F406 HydrophobicContact CG1-CD2 4.01Å; I272-F406 HydrophobicContact CG1-CG 4.12Å; L369-F406 HydrophobicContact CD1-CD1 3.71Å; L369-F406 HydrophobicContact CD1-CE1 3.57Å; L369-F406 HydrophobicContact CD1-CZ 4.42Å; R402-F406 WeakPolarHBondContact O-CB 3.32Å; R402-F406 PolarHBondContact O-N 3.24Å; I403-F406 PolarHBondContact O-N 2.9Å; L404-F406 VanDerWaalsContact C-N 3.32Å; L404-F406 PolarHBondContact O-N 3.24Å; F406-Q408 VanDerWaalsContact C-N 3.33Å; F406-Q408 PolarHBondContact O-N 3.43Å; F406-L409 PolarHBondContact O-N 3.05Å; F406-F410 HydrophobicContact CD1-CE2 4.42Å; F406-F410 HydrophobicContact CD2-CE2 4.29Å; F406-F410 HydrophobicContact CE1-CD2 4.43Å; F406-F410 HydrophobicContact CE1-CE2 4.06Å; F406-F410 AromaticContact CE2-CE2 3.93Å; F406-F410 HydrophobicContact CE2-CE2 3.93Å; F406-F410 AromaticContact CZ-CE2 3.8Å; F406-F410 HydrophobicContact CZ-CE2 3.8Å; F406-F410 VanDerWaalsContact O-CD2 3.26Å; F406-F410 WeakPolarHBondContact O-CD2 3.45Å
407	L	92.8	Very high	91.1	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-57.4	-46.3	174.7	-174.9	64	0	0	0	111.5	Y260 F263 M264 I403 L404 L409 F410 M411 M414 L553	Y260-L407 HydrophobicContact CD1-CD1 4.12Å; Y260-L407 HydrophobicContact CG-CD2 4.5Å; F263-L407 HydrophobicContact CD1-CD1 3.52Å; F263-L407 HydrophobicContact CE1-CD1 3.82Å; F263-L407 HydrophobicContact CG-CD1 4.22Å; M264-L407 HydrophobicContact CE-CB 3.78Å; M264-L407 HydrophobicContact CE-CD1 4.06Å; M264-L407 HydrophobicContact CE-CD2 4.09Å; M264-L407 HydrophobicContact CE-CG 4.17Å; I403-L407 PolarHBondContact O-N 3.43Å; L404-L407 HydrophobicContact CD1-CD2 4.43Å; L404-L407 PolarHBondContact O-N 3.1Å; L407-L409 VanDerWaalsContact C-N 3.26Å; L407-L409 PolarHBondContact O-N 3.33Å; L407-F410 PolarHBondContact O-N 3.31Å; L407-M411 HydrophobicContact CD1-CG 4.42Å; L407-M411 HydrophobicContact CD2-SD 3.95Å; L407-M411 HydrophobicContact CG-CG 3.91Å; L407-M411 HydrophobicContact CG-SD 3.74Å; L407-M411 WeakPolarHBondContact O-CG 3.42Å; L407-M411 PolarHBondContact O-N 3.13Å; L407-M414 HydrophobicContact CD1-CE 3.98Å; L407-L553 HydrophobicContact CD2-CD1 4.04Å
408	Q	90.3	Very high	90.6	Very high	38 Å²	38	40.1 Å²	40.1	18%	0.178	22%	0.218	C	C	.	.	H	α-helix	trans	-56.8	-35.5	-178.9	-173.5	67.4	16.2	0	0	113.3	L404 F406 F410 M411 D521 V524	L404-Q408 WeakPolarHBondContact O-CB 3.46Å; L404-Q408 PolarHBondContact O-N 2.74Å; F406-Q408 VanDerWaalsContact C-N 3.33Å; F406-Q408 PolarHBondContact O-N 3.43Å; Q408-F410 PolarHBondContact O-N 3.36Å; Q408-F410 VanDerWaalsContact O-N 3.17Å; Q408-M411 PolarHBondContact O-N 2.98Å; Q408-M411 PolarHBondContact OE1-SD 3.21Å; Q408-M411 VanDerWaalsContact OE1-SD 3.41Å; Q408-D521 PolarHBondContact NE2-OD1 3.17Å; Q408-V524 HydrophobicContact CB-CG1 4.2Å; Q408-V524 HydrophobicContact CB-CG2 4.37Å; Q408-V524 HydrophobicContact CG-CB 4.46Å; Q408-V524 HydrophobicContact CG-CG1 4.08Å
409	L	89.7	Confident	90.1	Very high	78 Å²	78	40.4 Å²	40.4	41%	0.408	22%	0.219	S	C	.	.	H	α-helix	trans	-59.3	-26.9	177.7	-69.5	172	0	0	0	112.9	L40 K405 F406 L407	L40-L409 HydrophobicContact CD2-CD1 4.3Å; K405-L409 WeakPolarHBondContact O-CG 3.47Å; K405-L409 PolarHBondContact O-N 3.41Å; F406-L409 PolarHBondContact O-N 3.05Å; L407-L409 VanDerWaalsContact C-N 3.26Å; L407-L409 PolarHBondContact O-N 3.33Å
410	F	89.2	Confident	89.8	Confident	8 Å²	8	39.9 Å²	39.9	4%	0.035	22%	0.216	C	C	.	.	H	α-helix	trans	-112.2	-6.8	-177.1	-54.5	-71.8	0	0	0	113.3	V35 I37 F263 F406 L407 Q408 S412 D413 M414	V35-F410 HydrophobicContact CG1-CD1 3.64Å; V35-F410 HydrophobicContact CG1-CE1 3.94Å; I37-F410 HydrophobicContact CG1-CZ 4.44Å; F263-F410 HydrophobicContact CE1-CD2 4.49Å; F263-F410 HydrophobicContact CE2-CB 3.71Å; F263-F410 AromaticContact CE2-CD2 3.89Å; F263-F410 HydrophobicContact CE2-CD2 3.89Å; F263-F410 AromaticContact CE2-CG 3.9Å; F263-F410 HydrophobicContact CE2-CG 3.9Å; F263-F410 HydrophobicContact CZ-CB 3.98Å; F263-F410 AromaticContact CZ-CD2 3.42Å; F263-F410 HydrophobicContact CZ-CD2 3.42Å; F263-F410 VanDerWaalsContact CZ-CD2 3.42Å; F263-F410 HydrophobicContact CZ-CE2 4.15Å; F263-F410 AromaticContact CZ-CG 3.92Å; F263-F410 HydrophobicContact CZ-CG 3.92Å; F406-F410 HydrophobicContact CD1-CE2 4.42Å; F406-F410 HydrophobicContact CD2-CE2 4.29Å; F406-F410 HydrophobicContact CE1-CD2 4.43Å; F406-F410 HydrophobicContact CE1-CE2 4.06Å; F406-F410 AromaticContact CE2-CE2 3.93Å; F406-F410 HydrophobicContact CE2-CE2 3.93Å; F406-F410 AromaticContact CZ-CE2 3.8Å; F406-F410 HydrophobicContact CZ-CE2 3.8Å; F406-F410 VanDerWaalsContact O-CD2 3.26Å; F406-F410 WeakPolarHBondContact O-CD2 3.45Å; L407-F410 PolarHBondContact O-N 3.31Å; Q408-F410 PolarHBondContact O-N 3.36Å; Q408-F410 VanDerWaalsContact O-N 3.17Å; F410-S412 PolarHBondContact O-N 2.78Å; F410-D413 PolarHBondContact O-N 3.48Å; F410-D413 VanDerWaalsContact O-N 3.1Å; F410-M414 HydrophobicContact CB-CE 4.04Å; F410-M414 WeakPolarHBondContact O-CE 3.19Å; F410-M414 PolarHBondContact O-N 2.82Å
411	M	85.2	Confident	89.5	Confident	5 Å²	5	46.1 Å²	46.1	3%	0.025	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-18.8	178.6	-84.2	173.7	62.7	0	0	114.3	Y260 L407 Q408 M414 M420 V520	Y260-M411 HydrophobicContact CD1-CG 4.45Å; Y260-M411 HydrophobicContact CE1-CG 3.81Å; L407-M411 HydrophobicContact CD1-CG 4.42Å; L407-M411 HydrophobicContact CD2-SD 3.95Å; L407-M411 HydrophobicContact CG-CG 3.91Å; L407-M411 HydrophobicContact CG-SD 3.74Å; L407-M411 WeakPolarHBondContact O-CG 3.42Å; L407-M411 PolarHBondContact O-N 3.13Å; Q408-M411 PolarHBondContact O-N 2.98Å; Q408-M411 PolarHBondContact OE1-SD 3.21Å; Q408-M411 VanDerWaalsContact OE1-SD 3.41Å; M411-M414 HydrophobicContact CG-CE 4.34Å; M411-M420 HydrophobicContact CE-CE 3.55Å; M411-V520 HydrophobicContact CE-CG1 4.07Å; M411-V520 HydrophobicContact SD-CG1 4.35Å
412	S	80.4	Confident	89.4	Confident	93 Å²	93	47.6 Å²	47.6	65%	0.65	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-29.6	172.6	-60.9	0	0	0	0	113.3	F410	F410-S412 PolarHBondContact O-N 2.78Å
413	D	85.1	Confident	89.3	Confident	118 Å²	118	45.2 Å²	45.2	63%	0.631	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-10.9	-176.6	-66.4	-15.1	0	0	0	112.7	F410	F410-D413 PolarHBondContact O-N 3.48Å; F410-D413 VanDerWaalsContact O-N 3.1Å
414	M	86.1	Confident	89	Confident	25 Å²	25	45.2 Å²	45.2	12%	0.123	25%	0.245	C	C	.	.	S	Bend	trans	-99.2	147	-179.5	-71.5	-170.5	-77.9	0	0	112.3	V259 Y260 F263 L407 F410 M411 K416	V259-M414 HydrophobicContact CG1-CB 4.06Å; V259-M414 HydrophobicContact CG1-CG 4.42Å; V259-M414 HydrophobicContact CG1-SD 3.97Å; Y260-M414 HydrophobicContact CD1-CE 4.02Å; Y260-M414 HydrophobicContact CD1-SD 4.49Å; Y260-M414 HydrophobicContact CE1-CE 4.15Å; F263-M414 HydrophobicContact CB-CE 4.34Å; F263-M414 HydrophobicContact CB-SD 3.82Å; F263-M414 HydrophobicContact CD1-CE 4.46Å; F263-M414 HydrophobicContact CD2-CE 3.66Å; F263-M414 HydrophobicContact CD2-SD 3.46Å; F263-M414 WeakPolarHBondContact CD2-SD 3.39Å; F263-M414 HydrophobicContact CE2-CE 4.07Å; F263-M414 HydrophobicContact CE2-SD 4.3Å; F263-M414 HydrophobicContact CG-CE 3.89Å; F263-M414 HydrophobicContact CG-SD 3.82Å; L407-M414 HydrophobicContact CD1-CE 3.98Å; F410-M414 HydrophobicContact CB-CE 4.04Å; F410-M414 WeakPolarHBondContact O-CE 3.19Å; F410-M414 PolarHBondContact O-N 2.82Å; M411-M414 HydrophobicContact CG-CE 4.34Å; M414-K416 PolarHBondContact O-N 2.96Å
415	P	85.8	Confident	88.7	Confident	89 Å²	89	49.1 Å²	49.1	58%	0.578	27%	0.266	S	S	*	.	P	Polyproline II helix	trans	-55.5	124.7	167.2	-23	33.9	0	0	0	110.6	P417	P415-P417 WeakPolarHBondContact O-CD 3.41Å
416	K	86.2	Confident	88.5	Confident	82 Å²	82	52.5 Å²	52.5	36%	0.357	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-81.8	116.9	179.9	-66.7	-177.8	176.4	177	0	109.9	M414 E517	M414-K416 PolarHBondContact O-N 2.96Å; K416-E517 WeakPolarHBondContact CD-OE2 3.48Å; K416-E517 IonicContact NZ-OE1 2.69Å; K416-E517 PolarHBondContact NZ-OE1 3.39Å; K416-E517 IonicContact NZ-OE2 3.77Å
417	P	86.9	Confident	88.2	Confident	2 Å²	2	53.1 Å²	53.1	1%	0.013	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-60.4	153	179.1	-22.9	34.2	0	0	0	112.3	E256 V259 Y260 P415 F419 M420	E256-P417 WeakPolarHBondContact O-CG 3.5Å; V259-P417 HydrophobicContact CB-CG 4.37Å; Y260-P417 HydrophobicContact CD2-CG 4.28Å; Y260-P417 HydrophobicContact CE2-CG 3.84Å; Y260-P417 WeakPolarHBondContact OH-CD 3.41Å; P415-P417 WeakPolarHBondContact O-CD 3.41Å; P417-F419 HydrophobicContact CB-CD1 3.76Å; P417-F419 HydrophobicContact CB-CE1 3.46Å; P417-F419 VanDerWaalsContact CB-CE1 3.46Å; P417-F419 HydrophobicContact CB-CE2 4.31Å; P417-F419 HydrophobicContact CB-CG 4.33Å; P417-F419 HydrophobicContact CB-CZ 3.75Å; P417-F419 HydrophobicContact CG-CE1 3.96Å; P417-F419 HydrophobicContact CG-CZ 3.84Å; P417-F419 PolarHBondContact O-N 3.13Å; P417-F419 VanDerWaalsContact O-N 3.12Å; P417-M420 WeakPolarHBondContact O-CB 3.32Å; P417-M420 PolarHBondContact O-N 2.9Å
418	A	86.6	Confident	88.1	Confident	74 Å²	74	55.7 Å²	55.7	61%	0.612	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-53.2	-37.2	-177.7	0	0	0	0	0	113.9	M420 K421	A418-M420 PolarHBondContact O-N 2.8Å; A418-K421 PolarHBondContact O-N 3.12Å; A418-K421 VanDerWaalsContact O-N 3.12Å
419	F	88.1	Confident	88.2	Confident	5 Å²	5	54.3 Å²	54.3	2%	0.022	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-63.5	-19.7	179.7	65.2	-111.2	0	0	0	114.3	Y260 P417 K421 Q422 L427 L516 L553 P557	Y260-F419 HydrophobicContact CD2-CE2 4.42Å; Y260-F419 HydrophobicContact CD2-CZ 4.11Å; Y260-F419 HydrophobicContact CE2-CE2 4.22Å; Y260-F419 HydrophobicContact CE2-CZ 4.21Å; P417-F419 HydrophobicContact CB-CD1 3.76Å; P417-F419 HydrophobicContact CB-CE1 3.46Å; P417-F419 VanDerWaalsContact CB-CE1 3.46Å; P417-F419 HydrophobicContact CB-CE2 4.31Å; P417-F419 HydrophobicContact CB-CG 4.33Å; P417-F419 HydrophobicContact CB-CZ 3.75Å; P417-F419 HydrophobicContact CG-CE1 3.96Å; P417-F419 HydrophobicContact CG-CZ 3.84Å; P417-F419 PolarHBondContact O-N 3.13Å; P417-F419 VanDerWaalsContact O-N 3.12Å; F419-K421 PolarHBondContact O-N 2.91Å; F419-Q422 PolarHBondContact O-N 3.4Å; F419-L427 HydrophobicContact CB-CD2 4.02Å; F419-L427 WeakPolarHBondContact O-CD1 3.49Å; F419-L516 HydrophobicContact CD2-CD2 4.11Å; F419-L516 HydrophobicContact CE2-CD2 4.43Å; F419-L553 HydrophobicContact CE2-CD2 3.83Å; F419-P557 HydrophobicContact CE1-CB 4.11Å
420	M	89.6	Confident	88.3	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-64.8	-22.1	175.6	-69	-61.5	-62.3	0	0	112.8	Y260 M411 P417 A418 L516 E517 V520 L553	Y260-M420 HydrophobicContact CE2-CG 3.94Å; Y260-M420 HydrophobicContact CE2-SD 3.74Å; M411-M420 HydrophobicContact CE-CE 3.55Å; P417-M420 WeakPolarHBondContact O-CB 3.32Å; P417-M420 PolarHBondContact O-N 2.9Å; A418-M420 PolarHBondContact O-N 2.8Å; M420-L516 HydrophobicContact SD-CD2 3.91Å; M420-L516 HydrophobicContact SD-CG 4.22Å; M420-E517 HydrophobicContact CE-CB 4.05Å; M420-E517 HydrophobicContact CE-CG 4.46Å; M420-E517 WeakPolarHBondContact O-CB 3.44Å; M420-E517 PolarHBondContact O-N 2.95Å; M420-V520 HydrophobicContact CE-CG2 4.5Å; M420-L553 HydrophobicContact SD-CD2 3.63Å
421	K	89.9	Confident	88.6	Confident	140 Å²	140	54.8 Å²	54.8	61%	0.609	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-100.7	2.3	-179.2	-57.1	177.6	-176.1	173.2	0	113.2	A418 F419 I515	A418-K421 PolarHBondContact O-N 3.12Å; A418-K421 VanDerWaalsContact O-N 3.12Å; F419-K421 PolarHBondContact O-N 2.91Å; K421-I515 VanDerWaalsContact O-CG2 3.31Å; K421-I515 WeakPolarHBondContact O-CG2 3.49Å
422	Q	90.9	Very high	89	Confident	77 Å²	77	56.9 Å²	56.9	36%	0.36	33%	0.327	S	S	.	.	S	Bend	trans	-90.8	155.7	175	-73	177	-45.2	0	0	110.3	F419 E426 L427 I515 L516	F419-Q422 PolarHBondContact O-N 3.4Å; Q422-E426 WeakPolarHBondContact CB-OE2 3.28Å; Q422-L427 HydrophobicContact CB-CD1 4.03Å; Q422-L427 HydrophobicContact CB-CD2 3.78Å; Q422-L427 HydrophobicContact CB-CG 3.88Å; Q422-I515 WeakPolarHBondContact O-CA 3.43Å; Q422-L516 PolarHBondContact O-N 2.77Å; Q422-L516 VanDerWaalsContact O-N 3.15Å
423	N	92.3	Very high	89.6	Confident	45 Å²	45	59.8 Å²	59.8	24%	0.241	33%	0.33	C	S	.	.	B	Isolated β-bridge	trans	-81.2	151.2	-175.4	-67.2	-21.3	0	0	0	111.3	D425 E426 L427 L513 E514 I515	N423-D425 PolarHBondContact O-N 2.89Å; N423-D425 VanDerWaalsContact O-N 3.16Å; N423-E426 HydrophobicContact CB-CG 4.2Å; N423-E426 PolarHBondContact N-OE2 2.98Å; N423-E426 WeakPolarHBondContact O-CB 3.34Å; N423-E426 PolarHBondContact O-N 3.4Å; N423-L427 WeakPolarHBondContact O-CG 3.47Å; N423-L427 PolarHBondContact O-N 3.45Å; N423-L427 VanDerWaalsContact O-N 3.12Å; N423-L513 PolarHBondContact OD1-O 3.48Å; N423-E514 WeakPolarHBondContact CA-O 3.41Å; N423-I515 WeakPolarHBondContact OD1-CG2 3.43Å
424	L	90.3	Very high	89.9	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-53.6	-36.9	178.1	-70.8	170.8	0	0	0	113.6	L427 G428 I429 K512 E514 L516 I519 I544	L424-L427 PolarHBondContact O-N 2.87Å; L424-G428 PolarHBondContact O-N 3.39Å; L424-I429 HydrophobicContact CD2-CB 4.31Å; L424-K512 WeakPolarHBondContact CB-O 3.34Å; L424-K512 PolarHBondContact N-O 2.96Å; L424-E514 PolarHBondContact N-O 3.06Å; L424-E514 VanDerWaalsContact N-O 3.08Å; L424-L516 HydrophobicContact CD2-CD1 4.3Å; L424-I519 HydrophobicContact CD1-CD1 3.63Å; L424-I519 HydrophobicContact CD1-CG1 3.65Å; L424-I519 HydrophobicContact CD2-CG1 4.17Å; L424-I519 HydrophobicContact CD2-CG2 4.42Å; L424-I519 HydrophobicContact CG-CD1 4.5Å; L424-I519 HydrophobicContact CG-CG1 3.99Å; L424-I544 HydrophobicContact CD1-CD1 3.3Å; L424-I544 HydrophobicContact CD2-CD1 3.58Å; L424-I544 HydrophobicContact CG-CD1 3.97Å
425	D	89.1	Confident	90.3	Very high	82 Å²	82	62 Å²	62	44%	0.439	34%	0.341	S	S	.	.	H	α-helix	trans	-62.6	-37.8	177.2	-149.4	45.7	0	0	0	112.6	N423 K512	N423-D425 PolarHBondContact O-N 2.89Å; N423-D425 VanDerWaalsContact O-N 3.16Å; D425-K512 HydrophobicContact CB-CB 4.22Å; D425-K512 HydrophobicContact CB-CG 4.2Å; D425-K512 PolarHBondContact N-O 2.97Å; D425-K512 VanDerWaalsContact N-O 3.1Å; D425-K512 WeakPolarHBondContact OD1-CD 3.42Å; D425-K512 IonicContact OD1-NZ 2.77Å; D425-K512 PolarHBondContact OD1-NZ 3.07Å; D425-K512 IonicContact OD2-NZ 3.08Å; D425-K512 PolarHBondContact OD2-NZ 3.47Å
426	E	89.1	Confident	90.8	Very high	130 Å²	130	58.3 Å²	58.3	61%	0.607	32%	0.318	S	S	*	.	H	α-helix	trans	-76.9	-31.4	178.6	-58.8	174.9	137.8	0	0	112.1	Q422 N423	Q422-E426 WeakPolarHBondContact CB-OE2 3.28Å; N423-E426 HydrophobicContact CB-CG 4.2Å; N423-E426 PolarHBondContact N-OE2 2.98Å; N423-E426 WeakPolarHBondContact O-CB 3.34Å; N423-E426 PolarHBondContact O-N 3.4Å
427	L	88.6	Confident	91.2	Very high	24 Å²	24	58.7 Å²	58.7	13%	0.126	32%	0.321	C	S	.	.	H	α-helix	trans	-89.3	-12.1	-175.4	-62	171.6	0	0	0	113.3	F419 Q422 N423 L424 I429 L516 A558	F419-L427 HydrophobicContact CB-CD2 4.02Å; F419-L427 WeakPolarHBondContact O-CD1 3.49Å; Q422-L427 HydrophobicContact CB-CD1 4.03Å; Q422-L427 HydrophobicContact CB-CD2 3.78Å; Q422-L427 HydrophobicContact CB-CG 3.88Å; N423-L427 WeakPolarHBondContact O-CG 3.47Å; N423-L427 PolarHBondContact O-N 3.45Å; N423-L427 VanDerWaalsContact O-N 3.12Å; L424-L427 PolarHBondContact O-N 2.87Å; L427-I429 HydrophobicContact CB-CD1 3.71Å; L427-I429 HydrophobicContact CB-CG1 3.77Å; L427-I429 HydrophobicContact CD1-CD1 3.88Å; L427-I429 HydrophobicContact CG-CD1 4.4Å; L427-I429 PolarHBondContact O-N 3.16Å; L427-I429 VanDerWaalsContact O-N 3.16Å; L427-L516 HydrophobicContact CD1-CB 3.86Å; L427-L516 HydrophobicContact CD1-CD2 4.13Å; L427-A558 HydrophobicContact CB-CB 4.44Å; L427-A558 HydrophobicContact CD2-CB 3.79Å
428	G	90.1	Very high	91.7	Very high	55 Å²	55	58.9 Å²	58.9	57%	0.567	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.2	14.6	-178.5	0	0	0	0	0	115	L424 G430	L424-G428 PolarHBondContact O-N 3.39Å; G428-G430 PolarHBondContact O-N 3.47Å
429	I	92.4	Very high	92.2	Very high	9 Å²	9	58.8 Å²	58.8	5%	0.046	31%	0.308	C	S	.	.			trans	-77.3	117.1	-171.4	-59.6	169.4	0	0	0	110	L424 L427 Y432 L516 I544 D548 A552 A558	L424-I429 HydrophobicContact CD2-CB 4.31Å; L427-I429 HydrophobicContact CB-CD1 3.71Å; L427-I429 HydrophobicContact CB-CG1 3.77Å; L427-I429 HydrophobicContact CD1-CD1 3.88Å; L427-I429 HydrophobicContact CG-CD1 4.4Å; L427-I429 PolarHBondContact O-N 3.16Å; L427-I429 VanDerWaalsContact O-N 3.16Å; I429-Y432 WeakPolarHBondContact O-CE2 3.42Å; I429-Y432 PolarHBondContact O-OH 2.96Å; I429-L516 HydrophobicContact CD1-CD1 3.88Å; I429-L516 HydrophobicContact CD1-CD2 3.8Å; I429-L516 HydrophobicContact CD1-CG 4.41Å; I429-I544 HydrophobicContact CG2-CG2 4.42Å; I429-I544 WeakPolarHBondContact O-CG1 3.28Å; I429-D548 HydrophobicContact CG2-CB 4.29Å; I429-A552 HydrophobicContact CD1-CB 3.54Å; I429-A552 HydrophobicContact CG1-CB 3.67Å; I429-A552 HydrophobicContact CG2-CB 4.27Å; I429-A558 HydrophobicContact CD1-CB 4.31Å
430	G	92.8	Very high	92.5	Very high	24 Å²	24	60.6 Å²	60.6	25%	0.247	32%	0.32	C	S	.	.	S	Bend	trans	123.8	-172.9	174.8	0	0	0	0	0	113.6	G428 I543	G428-G430 PolarHBondContact O-N 3.47Å; G430-I543 WeakPolarHBondContact CA-O 3.13Å
431	T	94.7	Very high	92.8	Very high	72 Å²	72	65.7 Å²	65.7	44%	0.442	35%	0.347	S	S	.	.	B	Isolated β-bridge	trans	-112.4	114.1	174.1	-58.8	0	0	0	0	110	G542 I543	T431-G542 CarbonylContact O-C 3.53Å; T431-G542 WeakPolarHBondContact O-CA 3.12Å; T431-I543 PolarHBondContact N-O 3.4Å; T431-I543 PolarHBondContact O-N 3.3Å
432	Y	94.3	Very high	93.2	Very high	49 Å²	49	59.8 Å²	59.8	19%	0.192	32%	0.323	C	S	.	.			trans	-110.1	-9	-177.7	-60.6	-81.3	0	0	0	113.7	I429 V533 V541	I429-Y432 WeakPolarHBondContact O-CE2 3.42Å; I429-Y432 PolarHBondContact O-OH 2.96Å; Y432-V533 HydrophobicContact CE1-CB 4.29Å; Y432-V533 HydrophobicContact CE1-CG1 4.19Å; Y432-V533 HydrophobicContact CE1-CG2 4.05Å; Y432-V541 HydrophobicContact CD1-CG1 4.34Å
433	H	92.4	Very high	93.4	Very high	154 Å²	154	57.5 Å²	57.5	71%	0.713	32%	0.315	S	S	*	.	S	Bend	trans	-120	148.3	-175.6	-55.4	114.4	0	0	0	111.1	I435	H433-I435 PolarHBondContact O-N 3.16Å; H433-I435 VanDerWaalsContact O-N 3.09Å
434	N	91.9	Very high	93.6	Very high	154 Å²	154	55.3 Å²	55.3	82%	0.824	30%	0.303	S	S	*	.	S	Bend	trans	51.3	32.4	178	-64.1	-27.5	0	0	0	114.7	A436 R454	N434-A436 PolarHBondContact O-N 2.86Å; N434-R454 PolarHBondContact O-NH1 3.05Å
435	I	94.4	Very high	93.8	Very high	34 Å²	34	56.8 Å²	56.8	17%	0.174	31%	0.311	C	S	.	.			trans	-59.8	133.8	-177.3	-54.6	156.2	0	0	0	109.4	H433 I540 V541 I543	H433-I435 PolarHBondContact O-N 3.16Å; H433-I435 VanDerWaalsContact O-N 3.09Å; I435-I540 HydrophobicContact CG2-CD1 3.76Å; I435-V541 VanDerWaalsContact CD1-O 3.31Å; I435-V541 WeakPolarHBondContact CD1-O 3.42Å; I435-I543 HydrophobicContact CG2-CD1 3.83Å; I435-I543 HydrophobicContact CG2-CG1 4.05Å
436	A	95.4	Very high	94.1	Very high	12 Å²	12	58.9 Å²	58.9	10%	0.099	32%	0.316	C	S	.	.			trans	-91.5	122.7	174	0	0	0	0	0	109.7	N434 I450 I456 L459 P460	N434-A436 PolarHBondContact O-N 2.86Å; A436-I450 HydrophobicContact CB-CG2 3.96Å; A436-I456 HydrophobicContact CB-CD1 3.54Å; A436-L459 HydrophobicContact CB-CD2 3.57Å; A436-L459 WeakPolarHBondContact O-CD2 3.47Å; A436-P460 WeakPolarHBondContact O-CD 3.46Å
437	F	95.9	Very high	94.5	Very high	91 Å²	91	52.7 Å²	52.7	40%	0.399	29%	0.287	S	S	.	.			trans	-130	171.9	172.7	60.2	-99.5	0	0	0	109.6	H439 P460 V462 I540	F437-H439 AromaticContact CE2-NE2 3.89Å; F437-P460 WeakPolarHBondContact CA-O 3.49Å; F437-P460 WeakPolarHBondContact CB-O 3.32Å; F437-V462 HydrophobicContact CB-CG1 4.29Å; F437-V462 HydrophobicContact CB-CG2 4.21Å; F437-V462 HydrophobicContact CD2-CG2 3.35Å; F437-V462 HydrophobicContact CE2-CG2 3.85Å; F437-V462 HydrophobicContact CG-CG2 3.91Å; F437-I540 HydrophobicContact CB-CD1 4.32Å
438	I	96.8	Very high	94.8	Very high	5 Å²	5	51.5 Å²	51.5	3%	0.026	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-141.1	168	177.1	57.4	-171.9	0	0	0	109.8	T442 A447 I450 L459 P460 V461 V462 Y472 V493	I438-T442 HydrophobicContact CB-CG2 4.09Å; I438-T442 HydrophobicContact CG2-CG2 4.11Å; I438-A447 HydrophobicContact CD1-CB 4.02Å; I438-I450 HydrophobicContact CG2-CD1 3.86Å; I438-L459 HydrophobicContact CD1-CB 3.77Å; I438-L459 HydrophobicContact CD1-CD1 4.06Å; I438-L459 HydrophobicContact CG1-CB 4.07Å; I438-L459 HydrophobicContact CG2-CB 4.44Å; I438-L459 HydrophobicContact CG2-CD1 4Å; I438-L459 HydrophobicContact CG2-CD2 4.31Å; I438-L459 HydrophobicContact CG2-CG 4.49Å; I438-P460 PolarHBondContact N-O 3.03Å; I438-V461 HydrophobicContact CD1-CG2 4.32Å; I438-V461 HydrophobicContact CG1-CG2 4.07Å; I438-V461 CarbonylContact O-C 3.56Å; I438-V461 VanDerWaalsContact O-CA 3.3Å; I438-V461 WeakPolarHBondContact O-CA 3.44Å; I438-V462 PolarHBondContact O-N 3.12Å; I438-Y472 HydrophobicContact CD1-CD1 4.39Å; I438-Y472 HydrophobicContact CD1-CG 4.5Å; I438-V493 HydrophobicContact CD1-CB 4.41Å; I438-V493 HydrophobicContact CD1-CG1 4.01Å; I438-V493 HydrophobicContact CD1-CG2 3.87Å
439	H	96.9	Very high	95.1	Very high	72 Å²	72	51.5 Å²	51.5	33%	0.333	27%	0.268	S	S	.	.			trans	-106	160.1	178.6	-65.1	-63.8	0	0	0	111.7	F437 D441 T442 V462	F437-H439 AromaticContact CE2-NE2 3.89Å; H439-D441 WeakPolarHBondContact CB-OD1 3.4Å; H439-D441 PolarHBondContact O-N 2.91Å; H439-T442 PolarHBondContact N-OG1 3.2Å; H439-T442 VanDerWaalsContact N-OG1 3.08Å; H439-T442 WeakPolarHBondContact O-CB 3.42Å; H439-T442 PolarHBondContact O-N 3.28Å; H439-T442 PolarHBondContact O-OG1 2.96Å; H439-T442 VanDerWaalsContact O-OG1 3.12Å; H439-V462 PolarHBondContact ND1-O 3.03Å
440	P	95.2	Very high	95.2	Very high	44 Å²	44	52.7 Å²	52.7	29%	0.286	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-36.1	-178	-31.5	38.1	0	0	0	115.1	T442 V461 V462 V469 T492 T494	P440-T442 VanDerWaalsContact C-N 3.34Å; P440-V461 HydrophobicContact CG-CG1 4.02Å; P440-V462 WeakPolarHBondContact CD-O 3.25Å; P440-V469 HydrophobicContact CG-CG2 4.27Å; P440-T492 WeakPolarHBondContact O-CB 3.31Å; P440-T492 PolarHBondContact O-OG1 2.78Å; P440-T494 WeakPolarHBondContact CA-OG1 3.35Å; P440-T494 VanDerWaalsContact CB-OG1 3.3Å; P440-T494 WeakPolarHBondContact CB-OG1 3.24Å; P440-T494 WeakPolarHBondContact O-CB 3.47Å; P440-T494 PolarHBondContact O-N 2.86Å; P440-T494 VanDerWaalsContact O-N 3.15Å; P440-T494 PolarHBondContact O-OG1 3.49Å; P440-T494 VanDerWaalsContact O-OG1 3.13Å
441	D	96.1	Very high	95.4	Very high	106 Å²	106	51.6 Å²	51.6	57%	0.567	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-15.1	179	72.9	-41.8	0	0	0	113.7	H439 P443 T492	H439-D441 WeakPolarHBondContact CB-OD1 3.4Å; H439-D441 PolarHBondContact O-N 2.91Å; D441-P443 WeakPolarHBondContact O-CD 3.31Å; D441-T492 WeakPolarHBondContact O-CG2 3.33Å
442	T	96.8	Very high	95.3	Very high	16 Å²	16	50 Å²	50	10%	0.098	25%	0.252	C	S	.	.			trans	-62.7	125	-170.7	-65.3	0	0	0	0	110.4	I438 H439 P440 K446 V493	I438-T442 HydrophobicContact CB-CG2 4.09Å; I438-T442 HydrophobicContact CG2-CG2 4.11Å; H439-T442 PolarHBondContact N-OG1 3.2Å; H439-T442 VanDerWaalsContact N-OG1 3.08Å; H439-T442 WeakPolarHBondContact O-CB 3.42Å; H439-T442 PolarHBondContact O-N 3.28Å; H439-T442 PolarHBondContact O-OG1 2.96Å; H439-T442 VanDerWaalsContact O-OG1 3.12Å; P440-T442 VanDerWaalsContact C-N 3.34Å; T442-K446 HydrophobicContact CG2-CB 3.9Å; T442-K446 HydrophobicContact CG2-CD 4.37Å; T442-V493 WeakPolarHBondContact O-CG2 3.31Å; T442-V493 PolarHBondContact O-N 3.12Å
443	P	96.1	Very high	95.2	Very high	29 Å²	29	53.8 Å²	53.8	19%	0.188	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-60.9	144.4	176.8	-28.8	37.2	0	0	0	113.3	D441 I445 K446 A447 I491	D441-P443 WeakPolarHBondContact O-CD 3.31Å; P443-I445 HydrophobicContact CB-CG2 4.04Å; P443-I445 PolarHBondContact O-N 2.93Å; P443-K446 PolarHBondContact O-N 2.92Å; P443-A447 PolarHBondContact O-N 3.02Å; P443-I491 WeakPolarHBondContact CA-O 3.34Å
444	I	95.5	Very high	95.2	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-50.9	-43.6	178.3	-68.6	178.7	0	0	0	111.3	K446 A447 L448 L480 L489 I491 A496	I444-K446 VanDerWaalsContact C-N 3.29Å; I444-K446 PolarHBondContact O-N 2.83Å; I444-A447 CarbonylContact O-C 3.59Å; I444-A447 WeakPolarHBondContact O-CA 3.4Å; I444-A447 WeakPolarHBondContact O-CB 3.34Å; I444-A447 PolarHBondContact O-N 3.25Å; I444-L448 HydrophobicContact CG2-CD1 4.3Å; I444-L448 HydrophobicContact CG2-CD2 4.09Å; I444-L448 HydrophobicContact CG2-CG 3.93Å; I444-L448 WeakPolarHBondContact O-CG 3.44Å; I444-L448 PolarHBondContact O-N 3.42Å; I444-L480 HydrophobicContact CD1-CD1 3.99Å; I444-L480 HydrophobicContact CD1-CD2 3.89Å; I444-L480 HydrophobicContact CG2-CD1 4.19Å; I444-L489 HydrophobicContact CB-CB 4.43Å; I444-L489 WeakPolarHBondContact CB-O 3.13Å; I444-L489 HydrophobicContact CG2-CB 4.39Å; I444-L489 HydrophobicContact CG2-CD2 4.14Å; I444-L489 PolarHBondContact N-O 2.97Å; I444-I491 HydrophobicContact CD1-CD1 3.69Å; I444-I491 HydrophobicContact CD1-CG1 3.48Å; I444-I491 VanDerWaalsContact CD1-CG1 3.48Å; I444-I491 HydrophobicContact CG1-CG1 4.05Å; I444-I491 PolarHBondContact N-O 2.97Å; I444-A496 HydrophobicContact CD1-CB 3.59Å; I444-A496 HydrophobicContact CG1-CB 3.96Å
445	I	95	Very high	95.1	Very high	30 Å²	30	53.5 Å²	53.5	15%	0.154	25%	0.253	C	S	.	.	H	α-helix	trans	-55.3	-42.3	-178.9	-175.4	60.8	0	0	0	112.2	Y330 P443 A447 L448 N449 L489	Y330-I445 HydrophobicContact CD1-CB 4.25Å; Y330-I445 HydrophobicContact CD1-CD1 3.64Å; Y330-I445 HydrophobicContact CD1-CG1 3.79Å; Y330-I445 HydrophobicContact CE1-CB 4.15Å; Y330-I445 HydrophobicContact CE1-CD1 4.4Å; Y330-I445 HydrophobicContact CE1-CG1 4.11Å; Y330-I445 HydrophobicContact CE1-CG2 4.44Å; Y330-I445 HydrophobicContact CG-CD1 4.3Å; P443-I445 HydrophobicContact CB-CG2 4.04Å; P443-I445 PolarHBondContact O-N 2.93Å; I445-A447 VanDerWaalsContact C-N 3.33Å; I445-A447 PolarHBondContact O-N 2.9Å; I445-L448 WeakPolarHBondContact O-CB 3.5Å; I445-L448 PolarHBondContact O-N 2.81Å; I445-L448 VanDerWaalsContact O-N 3.11Å; I445-N449 PolarHBondContact O-N 3.22Å; I445-N449 PolarHBondContact O-OD1 2.94Å; I445-L489 HydrophobicContact CB-CB 4.01Å; I445-L489 HydrophobicContact CD1-CD1 4.42Å; I445-L489 PolarHBondContact N-O 3.1Å
446	K	95.9	Very high	95.1	Very high	126 Å²	126	54.4 Å²	54.4	55%	0.548	26%	0.258	S	S	.	.	H	α-helix	trans	-63.2	-39.5	176	-63.3	-170.9	-172.8	174.1	0	111.6	T442 P443 I444 L448 N449 I450	T442-K446 HydrophobicContact CG2-CB 3.9Å; T442-K446 HydrophobicContact CG2-CD 4.37Å; P443-K446 PolarHBondContact O-N 2.92Å; I444-K446 VanDerWaalsContact C-N 3.29Å; I444-K446 PolarHBondContact O-N 2.83Å; K446-L448 VanDerWaalsContact C-N 3.34Å; K446-N449 PolarHBondContact O-N 2.96Å; K446-I450 WeakPolarHBondContact O-CG1 3.41Å; K446-I450 PolarHBondContact O-N 3.22Å
447	A	96.4	Very high	94.9	Very high	0 Å²	0	55 Å²	55	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-66.5	-33.8	174.7	0	0	0	0	0	112.4	I438 P443 I444 I445 F451 L459 Y472 V493	I438-A447 HydrophobicContact CD1-CB 4.02Å; P443-A447 PolarHBondContact O-N 3.02Å; I444-A447 CarbonylContact O-C 3.59Å; I444-A447 WeakPolarHBondContact O-CA 3.4Å; I444-A447 WeakPolarHBondContact O-CB 3.34Å; I444-A447 PolarHBondContact O-N 3.25Å; I445-A447 VanDerWaalsContact C-N 3.33Å; I445-A447 PolarHBondContact O-N 2.9Å; A447-F451 WeakPolarHBondContact O-CD2 3.07Å; A447-F451 WeakPolarHBondContact O-CG 3.44Å; A447-F451 PolarHBondContact O-N 3.01Å; A447-F451 VanDerWaalsContact O-N 3.08Å; A447-L459 HydrophobicContact CB-CD1 3.86Å; A447-Y472 HydrophobicContact CB-CD1 3.89Å; A447-Y472 HydrophobicContact CB-CE1 3.98Å; A447-V493 HydrophobicContact CB-CG2 4.27Å
448	L	95.8	Very high	94.9	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-67	-41.2	173.7	-59.2	-162.6	0	0	0	112.1	I323 L326 I444 I445 K446 I450 F451 V452 V477 L489	I323-L448 HydrophobicContact CG1-CD2 4.26Å; I323-L448 HydrophobicContact CG2-CB 4.35Å; I323-L448 HydrophobicContact CG2-CD2 4.25Å; L326-L448 HydrophobicContact CB-CD1 3.77Å; L326-L448 HydrophobicContact CD1-CD1 4.02Å; I444-L448 HydrophobicContact CG2-CD1 4.3Å; I444-L448 HydrophobicContact CG2-CD2 4.09Å; I444-L448 HydrophobicContact CG2-CG 3.93Å; I444-L448 WeakPolarHBondContact O-CG 3.44Å; I444-L448 PolarHBondContact O-N 3.42Å; I445-L448 WeakPolarHBondContact O-CB 3.5Å; I445-L448 PolarHBondContact O-N 2.81Å; I445-L448 VanDerWaalsContact O-N 3.11Å; K446-L448 VanDerWaalsContact C-N 3.34Å; L448-I450 PolarHBondContact O-N 2.97Å; L448-F451 HydrophobicContact CD2-CD2 4.05Å; L448-F451 WeakPolarHBondContact O-CB 3.02Å; L448-F451 PolarHBondContact O-N 3.38Å; L448-F451 VanDerWaalsContact O-N 3.16Å; L448-V452 WeakPolarHBondContact O-CG2 3.46Å; L448-V452 PolarHBondContact O-N 3.39Å; L448-V477 HydrophobicContact CD2-CG1 3.96Å; L448-V477 HydrophobicContact CD2-CG2 3.89Å; L448-L489 HydrophobicContact CD1-CD1 3.98Å
449	N	95.7	Very high	94.8	Very high	55 Å²	55	50.5 Å²	50.5	29%	0.294	24%	0.242	S	C	.	.	H	α-helix	trans	-55.4	-51.3	174.8	-65.1	18.6	0	0	0	110.7	H327 I445 K446 F451 V452 E453	H327-N449 PolarHBondContact CD2-OD1 3.3Å; H327-N449 PolarHBondContact NE2-OD1 3.29Å; I445-N449 PolarHBondContact O-N 3.22Å; I445-N449 PolarHBondContact O-OD1 2.94Å; K446-N449 PolarHBondContact O-N 2.96Å; N449-F451 VanDerWaalsContact C-N 3.26Å; N449-F451 PolarHBondContact O-N 3.12Å; N449-V452 PolarHBondContact O-N 3.32Å; N449-E453 WeakPolarHBondContact O-CB 3.37Å; N449-E453 WeakPolarHBondContact O-CG 3.18Å; N449-E453 PolarHBondContact O-N 3.48Å
450	I	96.3	Very high	94.8	Very high	34 Å²	34	47.1 Å²	47.1	17%	0.174	23%	0.226	C	C	.	.	H	α-helix	trans	-63.2	-33.4	179.9	-54.2	160.3	0	0	0	111.5	A436 I438 K446 L448 V452 R454 I456 L459	A436-I450 HydrophobicContact CB-CG2 3.96Å; I438-I450 HydrophobicContact CG2-CD1 3.86Å; K446-I450 WeakPolarHBondContact O-CG1 3.41Å; K446-I450 PolarHBondContact O-N 3.22Å; L448-I450 PolarHBondContact O-N 2.97Å; I450-V452 VanDerWaalsContact C-N 3.32Å; I450-V452 PolarHBondContact O-N 3.07Å; I450-R454 HydrophobicContact CG2-CB 4.46Å; I450-R454 HydrophobicContact CG2-CG 4.13Å; I450-R454 WeakPolarHBondContact O-CB 3.29Å; I450-R454 PolarHBondContact O-N 3.49Å; I450-I456 HydrophobicContact CG2-CD1 4.13Å; I450-L459 HydrophobicContact CB-CD1 4.29Å; I450-L459 HydrophobicContact CB-CD2 4.45Å; I450-L459 HydrophobicContact CG2-CD2 3.83Å
451	F	95.5	Very high	94.8	Very high	0 Å²	0	45 Å²	45	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-66.5	-27	173	-80.9	-26	0	0	0	114.7	I323 A447 L448 N449 R455 I456 L459 Y472 K474 V477	I323-F451 HydrophobicContact CD1-CD2 4.15Å; I323-F451 HydrophobicContact CG2-CB 4.12Å; A447-F451 WeakPolarHBondContact O-CD2 3.07Å; A447-F451 WeakPolarHBondContact O-CG 3.44Å; A447-F451 PolarHBondContact O-N 3.01Å; A447-F451 VanDerWaalsContact O-N 3.08Å; L448-F451 HydrophobicContact CD2-CD2 4.05Å; L448-F451 WeakPolarHBondContact O-CB 3.02Å; L448-F451 PolarHBondContact O-N 3.38Å; L448-F451 VanDerWaalsContact O-N 3.16Å; N449-F451 VanDerWaalsContact C-N 3.26Å; N449-F451 PolarHBondContact O-N 3.12Å; F451-R455 WeakPolarHBondContact O-CA 3.17Å; F451-I456 HydrophobicContact CD1-CG1 4.06Å; F451-L459 HydrophobicContact CD1-CD1 4.08Å; F451-L459 HydrophobicContact CD1-CG 4.34Å; F451-L459 HydrophobicContact CE1-CB 4.47Å; F451-L459 HydrophobicContact CE1-CD1 3.73Å; F451-L459 HydrophobicContact CE1-CG 3.78Å; F451-L459 HydrophobicContact CZ-CD1 3.96Å; F451-L459 HydrophobicContact CZ-CG 4.29Å; F451-Y472 AromaticContact CE2-CD1 3.88Å; F451-Y472 HydrophobicContact CE2-CD1 3.88Å; F451-Y472 AromaticContact CE2-CE1 3.92Å; F451-Y472 HydrophobicContact CE2-CE1 3.92Å; F451-Y472 HydrophobicContact CZ-CD1 4.05Å; F451-K474 VanDerWaalsContact CB-CE 3.45Å; F451-K474 HydrophobicContact CD1-CG 4Å; F451-K474 HydrophobicContact CD2-CG 4.07Å; F451-K474 HydrophobicContact CE1-CG 4.1Å; F451-K474 HydrophobicContact CE2-CG 4.15Å; F451-K474 HydrophobicContact CG-CD 4.5Å; F451-K474 HydrophobicContact CG-CG 4.01Å; F451-K474 HydrophobicContact CZ-CG 4.18Å; F451-K474 PolarHBondContact O-NZ 3.16Å; F451-V477 HydrophobicContact CD2-CG2 4.46Å; F451-V477 HydrophobicContact CE2-CG2 4.04Å
452	V	92.4	Very high	94.8	Very high	38 Å²	38	40.1 Å²	40.1	23%	0.23	19%	0.186	C	C	.	.	H	α-helix	trans	-85.7	-52.4	176.2	174.7	0	0	0	0	110	I323 H327 L448 N449 I450 R455	I323-V452 HydrophobicContact CG2-CG2 3.96Å; H327-V452 HydrophobicContact CB-CG2 4Å; L448-V452 WeakPolarHBondContact O-CG2 3.46Å; L448-V452 PolarHBondContact O-N 3.39Å; N449-V452 PolarHBondContact O-N 3.32Å; I450-V452 VanDerWaalsContact C-N 3.32Å; I450-V452 PolarHBondContact O-N 3.07Å; V452-R455 VanDerWaalsContact O-CG 3.3Å; V452-R455 WeakPolarHBondContact O-CG 3.45Å
453	E	92.5	Very high	94.7	Very high	130 Å²	130	41.6 Å²	41.6	61%	0.607	19%	0.194	S	C	*	.	H	α-helix	trans	-58.6	-62.5	-179.1	-69.6	167	-164.4	0	0	112.3	N449 R455	N449-E453 WeakPolarHBondContact O-CB 3.37Å; N449-E453 WeakPolarHBondContact O-CG 3.18Å; N449-E453 PolarHBondContact O-N 3.48Å; E453-R455 VanDerWaalsContact C-N 3.27Å; E453-R455 PolarHBondContact O-N 3.1Å
454	R	92.5	Very high	94.5	Very high	135 Å²	135	50 Å²	50	51%	0.509	23%	0.23	S	C	.	.	S	Bend	trans	-82.8	-4.7	-175.5	-58.3	-171	-175.7	-157.6	6.2	112.9	N434 I450 I456	N434-R454 PolarHBondContact O-NH1 3.05Å; I450-R454 HydrophobicContact CG2-CB 4.46Å; I450-R454 HydrophobicContact CG2-CG 4.13Å; I450-R454 WeakPolarHBondContact O-CB 3.29Å; I450-R454 PolarHBondContact O-N 3.49Å; R454-I456 HydrophobicContact CB-CD1 4.37Å; R454-I456 HydrophobicContact CB-CG1 4.38Å; R454-I456 HydrophobicContact CB-CG2 4.13Å; R454-I456 WeakPolarHBondContact O-CG2 3.35Å; R454-I456 PolarHBondContact O-N 2.98Å
455	R	90.9	Very high	94.4	Very high	167 Å²	167	53.4 Å²	53.4	63%	0.63	25%	0.254	S	S	*	.			trans	55.3	3.6	-179.2	-63.4	-176.2	171.9	170.3	-1.3	116.8	F451 V452 E453	F451-R455 WeakPolarHBondContact O-CA 3.17Å; V452-R455 VanDerWaalsContact O-CG 3.3Å; V452-R455 WeakPolarHBondContact O-CG 3.45Å; E453-R455 VanDerWaalsContact C-N 3.27Å; E453-R455 PolarHBondContact O-N 3.1Å
456	I	92.6	Very high	94.1	Very high	53 Å²	53	53.2 Å²	53.2	27%	0.272	26%	0.259	S	S	.	.			trans	-57.6	169.9	176.2	63.7	-175.9	0	0	0	113.3	A436 I450 F451 R454 L459 K474	A436-I456 HydrophobicContact CB-CD1 3.54Å; I450-I456 HydrophobicContact CG2-CD1 4.13Å; F451-I456 HydrophobicContact CD1-CG1 4.06Å; R454-I456 HydrophobicContact CB-CD1 4.37Å; R454-I456 HydrophobicContact CB-CG1 4.38Å; R454-I456 HydrophobicContact CB-CG2 4.13Å; R454-I456 WeakPolarHBondContact O-CG2 3.35Å; R454-I456 PolarHBondContact O-N 2.98Å; I456-L459 HydrophobicContact CD1-CD2 3.6Å; I456-L459 HydrophobicContact CD1-CG 4.08Å; I456-K474 WeakPolarHBondContact O-CE 3.34Å; I456-K474 PolarHBondContact O-NZ 2.95Å
457	S	92.3	Very high	94.1	Very high	24 Å²	24	51.2 Å²	51.2	17%	0.168	25%	0.251	C	S	.	.	S	Bend	trans	-118.9	-4.8	-173.2	55.9	0	0	0	0	116.2	K474 R530	S457-K474 PolarHBondContact O-N 3.36Å; S457-R530 VanDerWaalsContact C-NH2 3.25Å; S457-R530 PolarHBondContact O-NH2 3.16Å; S457-R530 PolarHBondContact OG-NH1 3.02Å; S457-R530 PolarHBondContact OG-NH2 2.84Å
458	A	94.8	Very high	94	Very high	2 Å²	2	51.4 Å²	51.4	2%	0.017	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	164.8	162.1	0	0	0	0	0	110.3	I471 Y472	A458-I471 HydrophobicContact CB-CD1 3.93Å; A458-I471 HydrophobicContact CB-CG1 3.89Å; A458-Y472 CarbonylContact C-O 3.51Å; A458-Y472 VanDerWaalsContact CA-O 3.3Å; A458-Y472 WeakPolarHBondContact CA-O 3.44Å; A458-Y472 WeakPolarHBondContact CB-O 3.45Å
459	L	96.1	Very high	93.8	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	117.4	178.4	-73.7	159.6	0	0	0	107.3	A436 I438 A447 I450 F451 I456 I471 Y472	A436-L459 HydrophobicContact CB-CD2 3.57Å; A436-L459 WeakPolarHBondContact O-CD2 3.47Å; I438-L459 HydrophobicContact CD1-CB 3.77Å; I438-L459 HydrophobicContact CD1-CD1 4.06Å; I438-L459 HydrophobicContact CG1-CB 4.07Å; I438-L459 HydrophobicContact CG2-CB 4.44Å; I438-L459 HydrophobicContact CG2-CD1 4Å; I438-L459 HydrophobicContact CG2-CD2 4.31Å; I438-L459 HydrophobicContact CG2-CG 4.49Å; A447-L459 HydrophobicContact CB-CD1 3.86Å; I450-L459 HydrophobicContact CB-CD1 4.29Å; I450-L459 HydrophobicContact CB-CD2 4.45Å; I450-L459 HydrophobicContact CG2-CD2 3.83Å; F451-L459 HydrophobicContact CD1-CD1 4.08Å; F451-L459 HydrophobicContact CD1-CG 4.34Å; F451-L459 HydrophobicContact CE1-CB 4.47Å; F451-L459 HydrophobicContact CE1-CD1 3.73Å; F451-L459 HydrophobicContact CE1-CG 3.78Å; F451-L459 HydrophobicContact CZ-CD1 3.96Å; F451-L459 HydrophobicContact CZ-CG 4.29Å; I456-L459 HydrophobicContact CD1-CD2 3.6Å; I456-L459 HydrophobicContact CD1-CG 4.08Å; L459-I471 CarbonylContact O-C 3.58Å; L459-I471 WeakPolarHBondContact O-CA 3.29Å; L459-Y472 PolarHBondContact N-O 3.45Å; L459-Y472 PolarHBondContact O-N 3.17Å
460	P	96	Very high	93.7	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	139	166.5	-24.1	37.5	0	0	0	110.1	A436 F437 I438 V532 I540 I543	A436-P460 WeakPolarHBondContact O-CD 3.46Å; F437-P460 WeakPolarHBondContact CA-O 3.49Å; F437-P460 WeakPolarHBondContact CB-O 3.32Å; I438-P460 PolarHBondContact N-O 3.03Å; P460-V532 HydrophobicContact CB-CG1 4.32Å; P460-V532 HydrophobicContact CB-CG2 4.34Å; P460-V532 HydrophobicContact CG-CG1 4.12Å; P460-V532 HydrophobicContact CG-CG2 3.98Å; P460-I540 HydrophobicContact CB-CD1 3.81Å; P460-I540 HydrophobicContact CG-CD1 3.79Å; P460-I543 HydrophobicContact CG-CD1 3.69Å; P460-I543 HydrophobicContact CG-CG1 4.16Å
461	V	95.8	Very high	93.6	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.006	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	122.6	172	-170.4	0	0	0	0	107	I438 P440 V469 D470 V493 L497	I438-V461 HydrophobicContact CD1-CG2 4.32Å; I438-V461 HydrophobicContact CG1-CG2 4.07Å; I438-V461 CarbonylContact O-C 3.56Å; I438-V461 VanDerWaalsContact O-CA 3.3Å; I438-V461 WeakPolarHBondContact O-CA 3.44Å; P440-V461 HydrophobicContact CG-CG1 4.02Å; V461-V469 HydrophobicContact CB-CG2 4.26Å; V461-V469 HydrophobicContact CG1-CG2 4Å; V461-V469 WeakPolarHBondContact O-CG2 3.37Å; V461-V469 PolarHBondContact O-N 3.08Å; V461-D470 HydrophobicContact CB-CB 3.98Å; V461-D470 HydrophobicContact CG2-CB 4.03Å; V461-D470 PolarHBondContact N-O 2.78Å; V461-D470 PolarHBondContact O-N 2.64Å; V461-V493 HydrophobicContact CG2-CG1 3.78Å; V461-L497 HydrophobicContact CG2-CD1 4.22Å
462	V	95.5	Very high	93.5	Very high	2 Å²	2	53.2 Å²	53.2	1%	0.012	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	143.5	-178	-57.5	0	0	0	0	112.1	F437 I438 H439 P440 K467 V468 I540	F437-V462 HydrophobicContact CB-CG1 4.29Å; F437-V462 HydrophobicContact CB-CG2 4.21Å; F437-V462 HydrophobicContact CD2-CG2 3.35Å; F437-V462 HydrophobicContact CE2-CG2 3.85Å; F437-V462 HydrophobicContact CG-CG2 3.91Å; I438-V462 PolarHBondContact O-N 3.12Å; H439-V462 PolarHBondContact ND1-O 3.03Å; P440-V462 WeakPolarHBondContact CD-O 3.25Å; V462-K467 CarbonylContact C-O 3.54Å; V462-K467 WeakPolarHBondContact CA-O 3.48Å; V462-K467 WeakPolarHBondContact CB-O 3.43Å; V462-V468 HydrophobicContact CG1-CG2 4.22Å; V462-I540 HydrophobicContact CG1-CB 4.25Å; V462-I540 HydrophobicContact CG1-CD1 4.46Å; V462-I540 HydrophobicContact CG1-CG2 4.13Å
463	D	94.4	Very high	93.6	Very high	48 Å²	48	52.4 Å²	52.4	26%	0.257	26%	0.26	S	S	.	.			trans	-75.3	177.8	173.9	69.9	21.3	0	0	0	112.7	S465 G466 K467 V469	D463-S465 PolarHBondContact O-N 2.74Å; D463-S465 VanDerWaalsContact OD1-C 3.29Å; D463-S465 VanDerWaalsContact OD1-CA 3.24Å; D463-S465 WeakPolarHBondContact OD1-CA 3.31Å; D463-S465 WeakPolarHBondContact OD1-CB 3.49Å; D463-S465 PolarHBondContact OD1-N 3.39Å; D463-S465 PolarHBondContact OD1-OG 3Å; D463-S465 PolarHBondContact OD2-OG 2.99Å; D463-G466 PolarHBondContact O-N 3.24Å; D463-G466 PolarHBondContact OD1-N 3.12Å; D463-G466 VanDerWaalsContact OD1-N 3.08Å; D463-K467 PolarHBondContact N-O 3.02Å; D463-K467 PolarHBondContact OD1-N 2.86Å; D463-V469 HydrophobicContact CB-CG1 4.11Å
464	E	93.1	Very high	93.5	Very high	204 Å²	204	47.2 Å²	47.2	95%	0.953	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-18.7	177.9	-62.1	177.6	179.3	0	0	113.3	G466	E464-G466 VanDerWaalsContact C-N 3.34Å
465	S	91.9	Very high	93.4	Very high	73 Å²	73	44.5 Å²	44.5	51%	0.51	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91	4.7	173.3	78.3	0	0	0	0	113.4	D463 K467	D463-S465 PolarHBondContact O-N 2.74Å; D463-S465 VanDerWaalsContact OD1-C 3.29Å; D463-S465 VanDerWaalsContact OD1-CA 3.24Å; D463-S465 WeakPolarHBondContact OD1-CA 3.31Å; D463-S465 WeakPolarHBondContact OD1-CB 3.49Å; D463-S465 PolarHBondContact OD1-N 3.39Å; D463-S465 PolarHBondContact OD1-OG 3Å; D463-S465 PolarHBondContact OD2-OG 2.99Å; S465-K467 VanDerWaalsContact C-N 3.32Å; S465-K467 WeakPolarHBondContact OG-CG 3.18Å
466	G	90.3	Very high	93.3	Very high	25 Å²	25	37 Å²	37	26%	0.258	20%	0.2	S	C	.	.	S	Bend	trans	77.5	10.8	179.7	0	0	0	0	0	114.7	D463 E464 S539 I540	D463-G466 PolarHBondContact O-N 3.24Å; D463-G466 PolarHBondContact OD1-N 3.12Å; D463-G466 VanDerWaalsContact OD1-N 3.08Å; E464-G466 VanDerWaalsContact C-N 3.34Å; G466-S539 VanDerWaalsContact O-CA 3.31Å; G466-S539 WeakPolarHBondContact O-CA 3.48Å; G466-I540 PolarHBondContact O-N 3.46Å; G466-I540 VanDerWaalsContact O-N 3.15Å
467	K	94.4	Very high	93.3	Very high	85 Å²	85	34.5 Å²	34.5	37%	0.37	19%	0.187	S	C	.	.	B	Isolated β-bridge	trans	-84	142.9	-179	-63.3	-179.2	-173.9	-162.9	0	112.3	V462 D463 S465 V469 A537 D538	V462-K467 CarbonylContact C-O 3.54Å; V462-K467 WeakPolarHBondContact CA-O 3.48Å; V462-K467 WeakPolarHBondContact CB-O 3.43Å; D463-K467 PolarHBondContact N-O 3.02Å; D463-K467 PolarHBondContact OD1-N 2.86Å; S465-K467 VanDerWaalsContact C-N 3.32Å; S465-K467 WeakPolarHBondContact OG-CG 3.18Å; K467-V469 PolarHBondContact O-N 3.24Å; K467-A537 WeakPolarHBondContact CE-O 3.08Å; K467-D538 WeakPolarHBondContact CA-O 3.48Å
468	V	94.7	Very high	93.1	Very high	4 Å²	4	34 Å²	34	2%	0.024	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	110.5	-177.6	-178.6	0	0	0	0	110.1	V462 V507 K509 V532 V534 D538 I540	V462-V468 HydrophobicContact CG1-CG2 4.22Å; V468-V507 HydrophobicContact CG1-CB 4.31Å; V468-V507 HydrophobicContact CG1-CG1 3.97Å; V468-V507 HydrophobicContact CG1-CG2 4.21Å; V468-K509 WeakPolarHBondContact O-CE 3.5Å; V468-K509 PolarHBondContact O-NZ 3.48Å; V468-V532 HydrophobicContact CG1-CB 4.38Å; V468-V532 HydrophobicContact CG1-CG1 4.15Å; V468-V532 HydrophobicContact CG1-CG2 4.43Å; V468-V532 HydrophobicContact CG2-CG1 3.79Å; V468-V534 HydrophobicContact CB-CG1 4.26Å; V468-V534 HydrophobicContact CG2-CG1 3.72Å; V468-D538 PolarHBondContact N-O 3.17Å; V468-D538 VanDerWaalsContact N-O 3.07Å; V468-I540 HydrophobicContact CG2-CB 3.79Å; V468-I540 HydrophobicContact CG2-CG1 4.33Å
469	V	92.5	Very high	92.7	Very high	73 Å²	73	35.6 Å²	35.6	44%	0.442	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	-38.6	-178.4	-65.5	0	0	0	0	113.2	P440 V461 D463 K467	P440-V469 HydrophobicContact CG-CG2 4.27Å; V461-V469 HydrophobicContact CB-CG2 4.26Å; V461-V469 HydrophobicContact CG1-CG2 4Å; V461-V469 WeakPolarHBondContact O-CG2 3.37Å; V461-V469 PolarHBondContact O-N 3.08Å; D463-V469 HydrophobicContact CB-CG1 4.11Å; K467-V469 PolarHBondContact O-N 3.24Å
470	D	93.1	Very high	92.2	Very high	30 Å²	30	36 Å²	36	16%	0.16	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	-171	174.7	-149.5	-38.4	0	0	0	110.7	V461 L497 R500 F504	V461-D470 HydrophobicContact CB-CB 3.98Å; V461-D470 HydrophobicContact CG2-CB 4.03Å; V461-D470 PolarHBondContact N-O 2.78Å; V461-D470 PolarHBondContact O-N 2.64Å; D470-L497 HydrophobicContact CB-CD1 4.08Å; D470-R500 IonicContact OD1-CZ 3.14Å; D470-R500 IonicContact OD1-NH1 3.82Å; D470-R500 PolarHBondContact OD1-NH1 3.19Å; D470-R500 IonicContact OD2-NH1 3.51Å; D470-F504 VanDerWaalsContact OD1-CZ 3.3Å; D470-F504 WeakPolarHBondContact OD1-CZ 3.49Å
471	I	93.3	Very high	91.7	Very high	23 Å²	23	36 Å²	36	12%	0.118	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	111.5	177.6	-179.1	172.8	0	0	0	109.3	A458 L459 R500 V507 R530 V532	A458-I471 HydrophobicContact CB-CD1 3.93Å; A458-I471 HydrophobicContact CB-CG1 3.89Å; L459-I471 CarbonylContact O-C 3.58Å; L459-I471 WeakPolarHBondContact O-CA 3.29Å; I471-R500 PolarHBondContact O-NH2 2.9Å; I471-V507 HydrophobicContact CB-CG1 4.37Å; I471-V507 HydrophobicContact CB-CG2 4.45Å; I471-V507 HydrophobicContact CG2-CG1 4.17Å; I471-V507 HydrophobicContact CG2-CG2 4.15Å; I471-R530 HydrophobicContact CD1-CG 3.93Å; I471-V532 HydrophobicContact CD1-CG2 4.22Å
472	Y	94.5	Very high	91	Very high	1 Å²	1	38.3 Å²	38.3	0%	0.004	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	126.1	174.1	-169.7	-117.2	0	0	0	110	I438 A447 F451 A458 L459 D476 V477 V493 A496 L497	I438-Y472 HydrophobicContact CD1-CD1 4.39Å; I438-Y472 HydrophobicContact CD1-CG 4.5Å; A447-Y472 HydrophobicContact CB-CD1 3.89Å; A447-Y472 HydrophobicContact CB-CE1 3.98Å; F451-Y472 AromaticContact CE2-CD1 3.88Å; F451-Y472 HydrophobicContact CE2-CD1 3.88Å; F451-Y472 AromaticContact CE2-CE1 3.92Å; F451-Y472 HydrophobicContact CE2-CE1 3.92Å; F451-Y472 HydrophobicContact CZ-CD1 4.05Å; A458-Y472 CarbonylContact C-O 3.51Å; A458-Y472 VanDerWaalsContact CA-O 3.3Å; A458-Y472 WeakPolarHBondContact CA-O 3.44Å; A458-Y472 WeakPolarHBondContact CB-O 3.45Å; L459-Y472 PolarHBondContact N-O 3.45Å; L459-Y472 PolarHBondContact O-N 3.17Å; Y472-D476 HydrophobicContact CD2-CB 4.05Å; Y472-D476 HydrophobicContact CE2-CB 3.83Å; Y472-V477 HydrophobicContact CE1-CG2 4.11Å; Y472-V493 HydrophobicContact CD1-CG2 4.25Å; Y472-V493 HydrophobicContact CD2-CG1 4.09Å; Y472-V493 HydrophobicContact CG-CG1 3.97Å; Y472-V493 HydrophobicContact CG-CG2 4.3Å; Y472-A496 HydrophobicContact CE2-CB 4.01Å; Y472-L497 HydrophobicContact CD2-CD1 4.37Å; Y472-L497 HydrophobicContact CD2-CD2 3.98Å; Y472-L497 HydrophobicContact CD2-CG 4.06Å
473	S	93.5	Very high	90.4	Very high	20 Å²	20	42.1 Å²	42.1	14%	0.14	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	162.9	-173.4	82.8	0	0	0	0	113.7	F475 D476	S473-F475 PolarHBondContact O-N 3.04Å; S473-F475 WeakPolarHBondContact OG-CB 3.3Å; S473-F475 PolarHBondContact OG-N 3.43Å; S473-F475 VanDerWaalsContact OG-N 3.1Å; S473-D476 WeakPolarHBondContact CA-OD2 3.48Å; S473-D476 VanDerWaalsContact CB-OD2 3.23Å; S473-D476 WeakPolarHBondContact CB-OD2 3.28Å; S473-D476 PolarHBondContact N-OD2 3.43Å; S473-D476 PolarHBondContact O-N 3.37Å; S473-D476 PolarHBondContact OG-OD2 2.97Å
474	K	92.1	Very high	90	Very high	22 Å²	22	46.1 Å²	46.1	10%	0.096	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-8.4	169.3	-68.6	-164.6	162.7	157.9	0	113.6	I319 I323 F451 I456 S457	I319-K474 WeakPolarHBondContact CB-O 3.48Å; I319-K474 WeakPolarHBondContact CD1-O 3.48Å; I319-K474 WeakPolarHBondContact CG2-O 3.37Å; I323-K474 HydrophobicContact CD1-CB 3.84Å; I323-K474 HydrophobicContact CD1-CD 3.69Å; I323-K474 HydrophobicContact CD1-CG 3.46Å; I323-K474 VanDerWaalsContact CD1-CG 3.46Å; F451-K474 VanDerWaalsContact CB-CE 3.45Å; F451-K474 HydrophobicContact CD1-CG 4Å; F451-K474 HydrophobicContact CD2-CG 4.07Å; F451-K474 HydrophobicContact CE1-CG 4.1Å; F451-K474 HydrophobicContact CE2-CG 4.15Å; F451-K474 HydrophobicContact CG-CD 4.5Å; F451-K474 HydrophobicContact CG-CG 4.01Å; F451-K474 HydrophobicContact CZ-CG 4.18Å; F451-K474 PolarHBondContact O-NZ 3.16Å; I456-K474 WeakPolarHBondContact O-CE 3.34Å; I456-K474 PolarHBondContact O-NZ 2.95Å; S457-K474 PolarHBondContact O-N 3.36Å
475	F	88.6	Confident	89.7	Confident	78 Å²	78	38.9 Å²	38.9	34%	0.342	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-43.1	169.1	175.6	-120.3	0	0	0	111.4	R301 I319 S473 V477 I478	R301-F475 HydrophobicContact CG-CD2 4.08Å; R301-F475 HydrophobicContact CG-CE2 4.11Å; I319-F475 HydrophobicContact CD1-CD2 4.14Å; S473-F475 PolarHBondContact O-N 3.04Å; S473-F475 WeakPolarHBondContact OG-CB 3.3Å; S473-F475 PolarHBondContact OG-N 3.43Å; S473-F475 VanDerWaalsContact OG-N 3.1Å; F475-V477 PolarHBondContact O-N 3.22Å; F475-I478 HydrophobicContact CD2-CG2 4.21Å; F475-I478 HydrophobicContact CE2-CG2 4.1Å; F475-I478 VanDerWaalsContact O-CG2 3.25Å; F475-I478 WeakPolarHBondContact O-CG2 3.37Å; F475-I478 PolarHBondContact O-N 3.28Å; F475-I478 VanDerWaalsContact O-N 3.07Å
476	D	90.6	Very high	89.4	Confident	10 Å²	10	35.6 Å²	35.6	5%	0.053	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-63.5	-30.7	-175.1	-51.4	-79.5	0	0	0	112.2	Y472 S473 I478 N479 R500	Y472-D476 HydrophobicContact CD2-CB 4.05Å; Y472-D476 HydrophobicContact CE2-CB 3.83Å; S473-D476 WeakPolarHBondContact CA-OD2 3.48Å; S473-D476 VanDerWaalsContact CB-OD2 3.23Å; S473-D476 WeakPolarHBondContact CB-OD2 3.28Å; S473-D476 PolarHBondContact N-OD2 3.43Å; S473-D476 PolarHBondContact O-N 3.37Å; S473-D476 PolarHBondContact OG-OD2 2.97Å; D476-I478 PolarHBondContact O-N 2.99Å; D476-I478 VanDerWaalsContact O-N 3.13Å; D476-N479 VanDerWaalsContact O-CB 3.29Å; D476-N479 WeakPolarHBondContact O-CB 3.36Å; D476-N479 PolarHBondContact O-N 3.46Å; D476-R500 IonicContact OD1-CZ 3.64Å; D476-R500 VanDerWaalsContact OD1-CZ 3.26Å; D476-R500 IonicContact OD1-NE 3.26Å; D476-R500 PolarHBondContact OD1-NE 3.16Å; D476-R500 IonicContact OD1-NH2 2.81Å; D476-R500 PolarHBondContact OD1-NH2 3.41Å; D476-R500 IonicContact OD2-NH2 2.72Å; D476-R500 PolarHBondContact OD2-NH2 3.38Å
477	V	91.8	Very high	89.3	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-57.7	-27.8	175.4	-166.1	0	0	0	0	112.8	I319 F322 I323 L326 L448 F451 Y472 F475 N479 L480	I319-V477 HydrophobicContact CG2-CB 4.45Å; F322-V477 HydrophobicContact CD1-CG1 4.16Å; F322-V477 HydrophobicContact CE1-CG1 4.33Å; F322-V477 WeakPolarHBondContact CE1-O 3.34Å; I323-V477 HydrophobicContact CD1-CB 4.37Å; I323-V477 HydrophobicContact CD1-CG2 4.03Å; I323-V477 HydrophobicContact CG1-CB 4.14Å; I323-V477 HydrophobicContact CG1-CG1 3.85Å; I323-V477 HydrophobicContact CG1-CG2 4.1Å; L326-V477 HydrophobicContact CD1-CG1 4.19Å; L448-V477 HydrophobicContact CD2-CG1 3.96Å; L448-V477 HydrophobicContact CD2-CG2 3.89Å; F451-V477 HydrophobicContact CD2-CG2 4.46Å; F451-V477 HydrophobicContact CE2-CG2 4.04Å; Y472-V477 HydrophobicContact CE1-CG2 4.11Å; F475-V477 PolarHBondContact O-N 3.22Å; V477-N479 PolarHBondContact O-N 3.01Å; V477-L480 HydrophobicContact CG1-CD1 4.03Å; V477-L480 WeakPolarHBondContact O-CB 3.39Å; V477-L480 PolarHBondContact O-N 2.95Å
478	I	88.1	Confident	89.1	Confident	13 Å²	13	35 Å²	35	7%	0.067	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-72.2	-18.8	178.4	-152.2	62.9	0	0	0	112.7	F292 V296 I319 F322 F475 D476 L480 A481 A482	F292-I478 HydrophobicContact CD1-CD1 4.07Å; V296-I478 HydrophobicContact CG2-CG1 3.82Å; I319-I478 HydrophobicContact CD1-CB 4.05Å; I319-I478 HydrophobicContact CD1-CG2 4.28Å; I319-I478 HydrophobicContact CG1-CB 4.23Å; I319-I478 HydrophobicContact CG1-CD1 4.24Å; I319-I478 HydrophobicContact CG1-CG1 4.33Å; I319-I478 HydrophobicContact CG2-CB 3.99Å; I319-I478 HydrophobicContact CG2-CD1 4.09Å; F322-I478 HydrophobicContact CD1-CD1 4.09Å; F322-I478 HydrophobicContact CG-CD1 4.46Å; F475-I478 HydrophobicContact CD2-CG2 4.21Å; F475-I478 HydrophobicContact CE2-CG2 4.1Å; F475-I478 VanDerWaalsContact O-CG2 3.25Å; F475-I478 WeakPolarHBondContact O-CG2 3.37Å; F475-I478 PolarHBondContact O-N 3.28Å; F475-I478 VanDerWaalsContact O-N 3.07Å; D476-I478 PolarHBondContact O-N 2.99Å; D476-I478 VanDerWaalsContact O-N 3.13Å; I478-L480 PolarHBondContact O-N 3.06Å; I478-A481 HydrophobicContact CD1-CB 4.21Å; I478-A481 WeakPolarHBondContact O-CB 3.37Å; I478-A481 PolarHBondContact O-N 3.45Å; I478-A482 PolarHBondContact O-N 3.28Å
479	N	85.9	Confident	89	Confident	35 Å²	35	34.9 Å²	34.9	19%	0.187	19%	0.185	C	C	.	.	H	α-helix	trans	-65.6	-31.8	176.3	-59.8	-6.4	0	0	0	110.5	D476 V477 A481 A482 E483	D476-N479 VanDerWaalsContact O-CB 3.29Å; D476-N479 WeakPolarHBondContact O-CB 3.36Å; D476-N479 PolarHBondContact O-N 3.46Å; V477-N479 PolarHBondContact O-N 3.01Å; N479-A481 PolarHBondContact O-N 3.26Å; N479-A482 WeakPolarHBondContact O-CA 3.44Å; N479-A482 WeakPolarHBondContact O-CB 3.5Å; N479-A482 PolarHBondContact O-N 3.46Å; N479-E483 PolarHBondContact O-N 3.32Å
480	L	86.5	Confident	89.1	Confident	8 Å²	8	35.2 Å²	35.2	4%	0.042	19%	0.185	C	C	.	.	H	α-helix	trans	-59.1	-29.3	172.3	-52.8	176.3	0	0	0	112.8	I444 V477 I478 K484 T485 Y486 L489	I444-L480 HydrophobicContact CD1-CD1 3.99Å; I444-L480 HydrophobicContact CD1-CD2 3.89Å; I444-L480 HydrophobicContact CG2-CD1 4.19Å; V477-L480 HydrophobicContact CG1-CD1 4.03Å; V477-L480 WeakPolarHBondContact O-CB 3.39Å; V477-L480 PolarHBondContact O-N 2.95Å; I478-L480 PolarHBondContact O-N 3.06Å; L480-K484 CarbonylContact O-C 3.56Å; L480-K484 WeakPolarHBondContact O-CA 3.31Å; L480-K484 PolarHBondContact O-N 3.06Å; L480-K484 VanDerWaalsContact O-N 3.09Å; L480-T485 WeakPolarHBondContact CA-OG1 3.4Å; L480-T485 PolarHBondContact O-N 3.22Å; L480-T485 VanDerWaalsContact O-N 3.12Å; L480-Y486 WeakPolarHBondContact O-CD1 3.38Å; L480-Y486 PolarHBondContact O-N 3.04Å; L480-L489 HydrophobicContact CD1-CD2 3.9Å
481	A	84.3	Confident	89.1	Confident	2 Å²	2	35.6 Å²	35.6	2%	0.017	19%	0.186	C	C	.	.	H	α-helix	trans	-78.3	-34.8	173.2	0	0	0	0	0	112.4	F292 F293 V296 F322 I478 N479	F292-A481 HydrophobicContact CB-CB 4.49Å; F293-A481 WeakPolarHBondContact CE1-O 3.4Å; V296-A481 HydrophobicContact CG2-CB 4.39Å; F322-A481 HydrophobicContact CE1-CB 3.93Å; F322-A481 HydrophobicContact CE2-CB 4.39Å; F322-A481 HydrophobicContact CZ-CB 3.74Å; I478-A481 HydrophobicContact CD1-CB 4.21Å; I478-A481 WeakPolarHBondContact O-CB 3.37Å; I478-A481 PolarHBondContact O-N 3.45Å; N479-A481 PolarHBondContact O-N 3.26Å
482	A	81.9	Confident	89.1	Confident	49 Å²	49	36.2 Å²	36.2	41%	0.405	19%	0.191	S	C	.	.	H	α-helix	trans	-63.8	-45.9	175.8	0	0	0	0	0	111.6	V296 I478 N479	V296-A482 HydrophobicContact CG1-CB 3.54Å; V296-A482 HydrophobicContact CG2-CB 4.25Å; I478-A482 PolarHBondContact O-N 3.28Å; N479-A482 WeakPolarHBondContact O-CA 3.44Å; N479-A482 WeakPolarHBondContact O-CB 3.5Å; N479-A482 PolarHBondContact O-N 3.46Å
483	E	82.9	Confident	89.1	Confident	81 Å²	81	36.1 Å²	36.1	38%	0.379	19%	0.191	S	C	.	.	H	α-helix	trans	-88.8	-11	-175.7	-59.2	-176.5	145.9	0	0	113.4	N479 T485 H499	N479-E483 PolarHBondContact O-N 3.32Å; E483-T485 HydrophobicContact CB-CG2 3.93Å; E483-T485 PolarHBondContact O-N 3.01Å; E483-H499 IonicContact OE1-CE1 2.73Å; E483-H499 IonicContact OE1-CG 2.65Å; E483-H499 IonicContact OE1-ND1 2.63Å; E483-H499 PolarHBondContact OE1-ND1 2.86Å; E483-H499 IonicContact OE2-CE1 2.65Å; E483-H499 IonicContact OE2-CG 2.69Å; E483-H499 IonicContact OE2-ND1 2.68Å; E483-H499 PolarHBondContact OE2-ND1 3.41Å; E483-H499 VanDerWaalsContact OE2-ND1 3.14Å
484	K	85.6	Confident	89	Confident	133 Å²	133	38 Å²	38	58%	0.578	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.9	19.5	-176.4	-47.3	164.6	-171.1	160.3	0	113.3	F293 L480 Y486	F293-K484 HydrophobicContact CE1-CG 4.48Å; F293-K484 HydrophobicContact CZ-CD 4.45Å; F293-K484 HydrophobicContact CZ-CG 3.89Å; L480-K484 CarbonylContact O-C 3.56Å; L480-K484 WeakPolarHBondContact O-CA 3.31Å; L480-K484 PolarHBondContact O-N 3.06Å; L480-K484 VanDerWaalsContact O-N 3.09Å; K484-Y486 VanDerWaalsContact C-N 3.26Å; K484-Y486 HydrophobicContact CB-CE1 4.23Å; K484-Y486 PolarHBondContact O-N 3.13Å
485	T	86.5	Confident	88.9	Confident	51 Å²	51	41.2 Å²	41.2	31%	0.313	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-77.4	-7.6	177.4	45.7	0	0	0	0	113.2	L480 E483 N487 N488	L480-T485 WeakPolarHBondContact CA-OG1 3.4Å; L480-T485 PolarHBondContact O-N 3.22Å; L480-T485 VanDerWaalsContact O-N 3.12Å; E483-T485 HydrophobicContact CB-CG2 3.93Å; E483-T485 PolarHBondContact O-N 3.01Å; T485-N487 PolarHBondContact O-N 3.09Å; T485-N488 PolarHBondContact O-N 3.01Å
486	Y	87.3	Confident	88.9	Confident	4 Å²	4	38 Å²	38	2%	0.016	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-53.6	-12.8	-179	64.7	-104.7	0	0	0	117	K289 F293 F322 L340 E341 L480 K484 N488 L489	K289-Y486 VanDerWaalsContact CE-OH 3.28Å; K289-Y486 WeakPolarHBondContact CE-OH 3.26Å; K289-Y486 PolarHBondContact NZ-OH 2.68Å; K289-Y486 VanDerWaalsContact NZ-OH 3.15Å; F293-Y486 HydrophobicContact CE1-CE1 4.08Å; F293-Y486 HydrophobicContact CZ-CE1 4.19Å; F322-Y486 HydrophobicContact CZ-CG 4.42Å; L340-Y486 HydrophobicContact CD2-CD2 3.69Å; L340-Y486 HydrophobicContact CD2-CE2 3.58Å; L340-Y486 HydrophobicContact CD2-CG 4.31Å; E341-Y486 PolarHBondContact OE1-OH 3Å; L480-Y486 WeakPolarHBondContact O-CD1 3.38Å; L480-Y486 PolarHBondContact O-N 3.04Å; K484-Y486 VanDerWaalsContact C-N 3.26Å; K484-Y486 HydrophobicContact CB-CE1 4.23Å; K484-Y486 PolarHBondContact O-N 3.13Å; Y486-N488 VanDerWaalsContact C-N 3.34Å; Y486-L489 WeakPolarHBondContact O-CD2 3.31Å
487	N	88.1	Confident	88.7	Confident	38 Å²	38	38.1 Å²	38.1	20%	0.203	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-76.5	-18.4	173.7	-68	-52.3	0	0	0	113.2	Y330 P333 T485	Y330-N487 WeakPolarHBondContact CE2-O 3.44Å; P333-N487 WeakPolarHBondContact CA-O 3.12Å; T485-N487 PolarHBondContact O-N 3.09Å
488	N	90.2	Very high	88.3	Confident	61 Å²	61	45 Å²	45	33%	0.326	24%	0.237	S	C	.	.			trans	-118.4	102.4	177.1	-175.7	1	0	0	0	110.2	P333 T485 Y486 D490 I491	P333-N488 HydrophobicContact CB-CB 4.16Å; P333-N488 WeakPolarHBondContact CG-OD1 3.5Å; T485-N488 PolarHBondContact O-N 3.01Å; Y486-N488 VanDerWaalsContact C-N 3.34Å; N488-D490 PolarHBondContact OD1-N 3.09Å; N488-I491 WeakPolarHBondContact ND2-CG2 3.46Å
489	L	92.5	Very high	87.4	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.255	C	S	.	.			trans	-105.8	6.1	179.4	-50.9	-180	0	0	0	112.6	L326 Y330 I444 I445 L448 L480 Y486	L326-L489 HydrophobicContact CB-CD1 3.97Å; L326-L489 HydrophobicContact CD1-CD1 4.37Å; L326-L489 HydrophobicContact CD1-CD2 4.37Å; L326-L489 HydrophobicContact CD2-CD1 4.49Å; Y330-L489 HydrophobicContact CD1-CB 4.27Å; Y330-L489 HydrophobicContact CD1-CD1 4.24Å; Y330-L489 HydrophobicContact CD2-CB 4.28Å; Y330-L489 HydrophobicContact CD2-CD1 3.77Å; Y330-L489 HydrophobicContact CD2-CG 3.92Å; Y330-L489 HydrophobicContact CE1-CB 3.9Å; Y330-L489 HydrophobicContact CE2-CB 3.95Å; Y330-L489 HydrophobicContact CE2-CD1 4.26Å; Y330-L489 HydrophobicContact CE2-CG 3.91Å; Y330-L489 HydrophobicContact CG-CB 4.42Å; Y330-L489 HydrophobicContact CG-CD1 3.75Å; Y330-L489 HydrophobicContact CG-CG 4.28Å; Y330-L489 PolarHBondContact OH-N 3.08Å; I444-L489 HydrophobicContact CB-CB 4.43Å; I444-L489 WeakPolarHBondContact CB-O 3.13Å; I444-L489 HydrophobicContact CG2-CB 4.39Å; I444-L489 HydrophobicContact CG2-CD2 4.14Å; I444-L489 PolarHBondContact N-O 2.97Å; I445-L489 HydrophobicContact CB-CB 4.01Å; I445-L489 HydrophobicContact CD1-CD1 4.42Å; I445-L489 PolarHBondContact N-O 3.1Å; L448-L489 HydrophobicContact CD1-CD1 3.98Å; L480-L489 HydrophobicContact CD1-CD2 3.9Å; Y486-L489 WeakPolarHBondContact O-CD2 3.31Å
490	D	93.5	Very high	86.8	Confident	81 Å²	81	49.3 Å²	49.3	43%	0.433	25%	0.254	S	S	.	.			trans	-84.7	-12.6	174.4	-70.5	-12.1	0	0	0	112.1	Y330 P333 N488	Y330-D490 PolarHBondContact OH-N 3.11Å; Y330-D490 PolarHBondContact OH-OD1 3.34Å; Y330-D490 VanDerWaalsContact OH-OD1 3.11Å; P333-D490 WeakPolarHBondContact CD-OD2 3.41Å; P333-D490 HydrophobicContact CG-CB 3.96Å; P333-D490 WeakPolarHBondContact CG-OD2 3.44Å; N488-D490 PolarHBondContact OD1-N 3.09Å
491	I	93.1	Very high	85.4	Confident	38 Å²	38	53.5 Å²	53.5	20%	0.195	28%	0.284	C	S	.	.	S	Bend	trans	-59.4	149.7	171.3	65.8	177.4	0	0	0	111.2	P443 I444 N488	P443-I491 WeakPolarHBondContact CA-O 3.34Å; I444-I491 HydrophobicContact CD1-CD1 3.69Å; I444-I491 HydrophobicContact CD1-CG1 3.48Å; I444-I491 VanDerWaalsContact CD1-CG1 3.48Å; I444-I491 HydrophobicContact CG1-CG1 4.05Å; I444-I491 PolarHBondContact N-O 2.97Å; N488-I491 WeakPolarHBondContact ND2-CG2 3.46Å
492	T	94.6	Very high	83.8	Confident	35 Å²	35	62.8 Å²	62.8	22%	0.215	33%	0.327	C	S	.	.	B	Isolated β-bridge	trans	-74.9	156	-176.5	79	0	0	0	0	111.8	P440 D441 T494 Q495 A496	P440-T492 WeakPolarHBondContact O-CB 3.31Å; P440-T492 PolarHBondContact O-OG1 2.78Å; D441-T492 WeakPolarHBondContact O-CG2 3.33Å; T492-T494 VanDerWaalsContact C-N 3.27Å; T492-T494 PolarHBondContact O-N 3.2Å; T492-Q495 WeakPolarHBondContact O-CB 3.42Å; T492-Q495 PolarHBondContact O-N 3.26Å; T492-Q495 VanDerWaalsContact O-N 3.09Å; T492-Q495 WeakPolarHBondContact OG1-CG 3.47Å; T492-Q495 PolarHBondContact OG1-N 3.5Å; T492-A496 PolarHBondContact O-N 3.13Å
493	V	93	Very high	82.3	Confident	0 Å²	0	71.1 Å²	71.1	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-60.5	-35.8	175	161.4	0	0	0	0	111.8	I438 T442 A447 V461 Y472 A496 L497	I438-V493 HydrophobicContact CD1-CB 4.41Å; I438-V493 HydrophobicContact CD1-CG1 4.01Å; I438-V493 HydrophobicContact CD1-CG2 3.87Å; T442-V493 WeakPolarHBondContact O-CG2 3.31Å; T442-V493 PolarHBondContact O-N 3.12Å; A447-V493 HydrophobicContact CB-CG2 4.27Å; V461-V493 HydrophobicContact CG2-CG1 3.78Å; Y472-V493 HydrophobicContact CD1-CG2 4.25Å; Y472-V493 HydrophobicContact CD2-CG1 4.09Å; Y472-V493 HydrophobicContact CG-CG1 3.97Å; Y472-V493 HydrophobicContact CG-CG2 4.3Å; V493-A496 WeakPolarHBondContact O-CB 3.3Å; V493-A496 PolarHBondContact O-N 2.9Å; V493-L497 HydrophobicContact CG1-CD1 3.59Å; V493-L497 HydrophobicContact CG1-CG 4.37Å; V493-L497 WeakPolarHBondContact O-CB 3.4Å; V493-L497 WeakPolarHBondContact O-CD1 3.18Å; V493-L497 WeakPolarHBondContact O-CG 3.1Å; V493-L497 PolarHBondContact O-N 2.97Å
494	T	91.4	Very high	81.3	Confident	59 Å²	59	71.3 Å²	71.3	36%	0.362	35%	0.349	S	S	.	.	H	α-helix	trans	-63	-41.3	171.7	-66.7	0	0	0	0	112.6	P440 T492 L497 Q498	P440-T494 WeakPolarHBondContact CA-OG1 3.35Å; P440-T494 VanDerWaalsContact CB-OG1 3.3Å; P440-T494 WeakPolarHBondContact CB-OG1 3.24Å; P440-T494 WeakPolarHBondContact O-CB 3.47Å; P440-T494 PolarHBondContact O-N 2.86Å; P440-T494 VanDerWaalsContact O-N 3.15Å; P440-T494 PolarHBondContact O-OG1 3.49Å; P440-T494 VanDerWaalsContact O-OG1 3.13Å; T492-T494 VanDerWaalsContact C-N 3.27Å; T492-T494 PolarHBondContact O-N 3.2Å; T494-L497 PolarHBondContact O-N 3.5Å; T494-Q498 WeakPolarHBondContact O-CG 3.46Å; T494-Q498 PolarHBondContact O-N 2.86Å
495	Q	90	Very high	80.1	Confident	89 Å²	89	74.6 Å²	74.6	42%	0.416	37%	0.367	S	S	.	.	H	α-helix	trans	-61.5	-45.9	174.1	-71	167.5	-21.7	0	0	110.4	T492 L497 Q498 H499	T492-Q495 WeakPolarHBondContact O-CB 3.42Å; T492-Q495 PolarHBondContact O-N 3.26Å; T492-Q495 VanDerWaalsContact O-N 3.09Å; T492-Q495 WeakPolarHBondContact OG1-CG 3.47Å; T492-Q495 PolarHBondContact OG1-N 3.5Å; Q495-L497 PolarHBondContact O-N 2.81Å; Q495-Q498 PolarHBondContact O-N 2.92Å; Q495-H499 PolarHBondContact O-CD2 3.46Å; Q495-H499 VanDerWaalsContact O-CD2 3.32Å
496	A	88.5	Confident	79.5	Confident	11 Å²	11	73.7 Å²	73.7	9%	0.091	37%	0.367	C	S	.	.	H	α-helix	trans	-57.1	-35.4	176.5	0	0	0	0	0	113.7	I444 Y472 T492 V493	I444-A496 HydrophobicContact CD1-CB 3.59Å; I444-A496 HydrophobicContact CG1-CB 3.96Å; Y472-A496 HydrophobicContact CE2-CB 4.01Å; T492-A496 PolarHBondContact O-N 3.13Å; V493-A496 WeakPolarHBondContact O-CB 3.3Å; V493-A496 PolarHBondContact O-N 2.9Å
497	L	87.4	Confident	79.4	Confident	12 Å²	12	74.5 Å²	74.5	6%	0.063	37%	0.373	C	S	.	.	H	α-helix	trans	-83	-20	-175.4	-73.1	167.4	0	0	0	113.9	V461 D470 Y472 V493 T494 Q495 H499 R500	V461-L497 HydrophobicContact CG2-CD1 4.22Å; D470-L497 HydrophobicContact CB-CD1 4.08Å; Y472-L497 HydrophobicContact CD2-CD1 4.37Å; Y472-L497 HydrophobicContact CD2-CD2 3.98Å; Y472-L497 HydrophobicContact CD2-CG 4.06Å; V493-L497 HydrophobicContact CG1-CD1 3.59Å; V493-L497 HydrophobicContact CG1-CG 4.37Å; V493-L497 WeakPolarHBondContact O-CB 3.4Å; V493-L497 WeakPolarHBondContact O-CD1 3.18Å; V493-L497 WeakPolarHBondContact O-CG 3.1Å; V493-L497 PolarHBondContact O-N 2.97Å; T494-L497 PolarHBondContact O-N 3.5Å; Q495-L497 PolarHBondContact O-N 2.81Å; L497-H499 PolarHBondContact O-N 2.94Å; L497-H499 VanDerWaalsContact O-N 3.14Å; L497-R500 WeakPolarHBondContact O-CB 3.23Å; L497-R500 PolarHBondContact O-N 3.12Å
498	Q	82.7	Confident	79.6	Confident	144 Å²	144	74.5 Å²	74.5	67%	0.673	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-22.1	171.3	-72.8	169.9	4.9	0	0	112.9	T494 Q495 R500	T494-Q498 WeakPolarHBondContact O-CG 3.46Å; T494-Q498 PolarHBondContact O-N 2.86Å; Q495-Q498 PolarHBondContact O-N 2.92Å; Q498-R500 VanDerWaalsContact C-N 3.29Å; Q498-R500 PolarHBondContact O-N 3.25Å
499	H	69.1	Low	79.8	Confident	95 Å²	95	73.9 Å²	73.9	44%	0.44	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	5	178.1	-65.7	-97.7	0	0	0	113.8	E483 Q495 L497	E483-H499 IonicContact OE1-CE1 2.73Å; E483-H499 IonicContact OE1-CG 2.65Å; E483-H499 IonicContact OE1-ND1 2.63Å; E483-H499 PolarHBondContact OE1-ND1 2.86Å; E483-H499 IonicContact OE2-CE1 2.65Å; E483-H499 IonicContact OE2-CG 2.69Å; E483-H499 IonicContact OE2-ND1 2.68Å; E483-H499 PolarHBondContact OE2-ND1 3.41Å; E483-H499 VanDerWaalsContact OE2-ND1 3.14Å; Q495-H499 PolarHBondContact O-CD2 3.46Å; Q495-H499 VanDerWaalsContact O-CD2 3.32Å; L497-H499 PolarHBondContact O-N 2.94Å; L497-H499 VanDerWaalsContact O-N 3.14Å
500	R	73.9	Confident	79.9	Confident	45 Å²	45	74 Å²	74	17%	0.17	37%	0.369	C	S	.	.	S	Bend	trans	-67.7	146	163	-75.1	-176.5	170.4	155.5	3.9	110	D470 I471 D476 L497 Q498	D470-R500 IonicContact OD1-CZ 3.14Å; D470-R500 IonicContact OD1-NH1 3.82Å; D470-R500 PolarHBondContact OD1-NH1 3.19Å; D470-R500 IonicContact OD2-NH1 3.51Å; I471-R500 PolarHBondContact O-NH2 2.9Å; D476-R500 IonicContact OD1-CZ 3.64Å; D476-R500 VanDerWaalsContact OD1-CZ 3.26Å; D476-R500 IonicContact OD1-NE 3.26Å; D476-R500 PolarHBondContact OD1-NE 3.16Å; D476-R500 IonicContact OD1-NH2 2.81Å; D476-R500 PolarHBondContact OD1-NH2 3.41Å; D476-R500 IonicContact OD2-NH2 2.72Å; D476-R500 PolarHBondContact OD2-NH2 3.38Å; L497-R500 WeakPolarHBondContact O-CB 3.23Å; L497-R500 PolarHBondContact O-N 3.12Å; Q498-R500 VanDerWaalsContact C-N 3.29Å; Q498-R500 PolarHBondContact O-N 3.25Å
501	S	57.5	Low	79.9	Confident	95 Å²	95	72 Å²	72	66%	0.664	36%	0.358	S	S	*	.			trans	-58.7	146.4	171.2	49.1	0	0	0	0	110.7	Y503	S501-Y503 PolarHBondContact O-N 2.75Å
502	Q	49.9	Very low	79.9	Confident	198 Å²	198	73.7 Å²	73.7	93%	0.925	36%	0.364	S	S	*	.	S	Bend	trans	-58.8	-10	-169.8	-66.9	172.5	-13	0	0	115.4	F504	Q502-F504 VanDerWaalsContact C-N 3.3Å; Q502-F504 PolarHBondContact O-N 2.58Å
503	Y	50.7	Low	79.8	Confident	224 Å²	224	76.6 Å²	76.6	88%	0.878	38%	0.378	S	S	*	.			trans	-88.1	53.1	172.8	-68	-86.2	0	0	0	112.2	S501	S501-Y503 PolarHBondContact O-N 2.75Å
504	F	61.6	Low	79.9	Confident	84 Å²	84	78.3 Å²	78.3	37%	0.368	39%	0.386	S	S	.	.			trans	-93.8	100.5	168.2	-174.4	-119.6	0	0	0	110.1	D470 Q502 G506 V507	D470-F504 VanDerWaalsContact OD1-CZ 3.3Å; D470-F504 WeakPolarHBondContact OD1-CZ 3.49Å; Q502-F504 VanDerWaalsContact C-N 3.3Å; Q502-F504 PolarHBondContact O-N 2.58Å; F504-G506 WeakPolarHBondContact CE2-O 3.46Å; F504-G506 VanDerWaalsContact CZ-C 3.43Å; F504-G506 WeakPolarHBondContact CZ-O 3.33Å; F504-G506 PolarHBondContact O-N 2.93Å; F504-V507 HydrophobicContact CZ-CG2 4.47Å
505	E	59.8	Low	80.1	Confident	203 Å²	203	78.1 Å²	78.1	95%	0.949	38%	0.382	S	S	*	.			trans	-73.2	16	-179.7	-150.7	179.9	171.4	0	0	113.5
506	G	73.9	Confident	80.2	Confident	31 Å²	31	73.9 Å²	73.9	32%	0.32	36%	0.362	S	S	.	.			trans	85.6	-177.5	-176.3	0	0	0	0	0	114.5	F504	F504-G506 WeakPolarHBondContact CE2-O 3.46Å; F504-G506 VanDerWaalsContact CZ-C 3.43Å; F504-G506 WeakPolarHBondContact CZ-O 3.33Å; F504-G506 PolarHBondContact O-N 2.93Å
507	V	85.9	Confident	80.4	Confident	22 Å²	22	75.3 Å²	75.3	13%	0.133	37%	0.367	C	S	.	.			trans	-74	128.8	174.1	-172.3	0	0	0	0	109.6	V468 I471 F504 K509 V532	V468-V507 HydrophobicContact CG1-CB 4.31Å; V468-V507 HydrophobicContact CG1-CG1 3.97Å; V468-V507 HydrophobicContact CG1-CG2 4.21Å; I471-V507 HydrophobicContact CB-CG1 4.37Å; I471-V507 HydrophobicContact CB-CG2 4.45Å; I471-V507 HydrophobicContact CG2-CG1 4.17Å; I471-V507 HydrophobicContact CG2-CG2 4.15Å; F504-V507 HydrophobicContact CZ-CG2 4.47Å; V507-K509 HydrophobicContact CB-CG 4.42Å; V507-K509 HydrophobicContact CG1-CG 4.33Å; V507-K509 PolarHBondContact O-N 3.38Å; V507-V532 HydrophobicContact CG1-CB 4.36Å; V507-V532 HydrophobicContact CG1-CG2 3.79Å
508	V	92	Very high	80.7	Confident	37 Å²	37	77.5 Å²	77.5	22%	0.224	38%	0.381	C	S	.	.			trans	-78	110.2	173.9	-157.9	0	0	0	0	109.4	R522 A526 V528 L531 V532	V508-R522 HydrophobicContact CG1-CG 3.84Å; V508-A526 HydrophobicContact CG1-CB 3.94Å; V508-A526 HydrophobicContact CG2-CB 3.86Å; V508-V528 HydrophobicContact CB-CG2 4.26Å; V508-V528 HydrophobicContact CG2-CG1 3.76Å; V508-V528 HydrophobicContact CG2-CG2 4.06Å; V508-L531 HydrophobicContact CB-CD2 3.72Å; V508-L531 HydrophobicContact CG1-CD2 3.47Å; V508-L531 VanDerWaalsContact CG1-CD2 3.47Å; V508-L531 WeakPolarHBondContact O-CA 3.3Å; V508-V532 PolarHBondContact O-N 2.88Å
509	K	94.3	Very high	81.3	Confident	49 Å²	49	70.6 Å²	70.6	21%	0.213	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	166.3	-174.5	-61.5	176.6	-173.4	-169	0	112.5	V468 V507 R522 V532 V534 D538	V468-K509 WeakPolarHBondContact O-CE 3.5Å; V468-K509 PolarHBondContact O-NZ 3.48Å; V507-K509 HydrophobicContact CB-CG 4.42Å; V507-K509 HydrophobicContact CG1-CG 4.33Å; V507-K509 PolarHBondContact O-N 3.38Å; K509-R522 WeakPolarHBondContact O-CD 3.08Å; K509-R522 PolarHBondContact O-NH1 3.05Å; K509-V532 CarbonylContact C-O 3.57Å; K509-V532 VanDerWaalsContact CA-O 3.3Å; K509-V532 WeakPolarHBondContact CA-O 3.47Å; K509-V534 HydrophobicContact CB-CG2 4.13Å; K509-V534 HydrophobicContact CD-CG1 4.16Å; K509-V534 HydrophobicContact CD-CG2 4.26Å; K509-V534 HydrophobicContact CG-CG1 4.36Å; K509-D538 WeakPolarHBondContact CD-OD1 3.19Å; K509-D538 WeakPolarHBondContact CE-OD1 3.25Å; K509-D538 IonicContact NZ-OD1 3.2Å; K509-D538 PolarHBondContact NZ-OD1 3.33Å; K509-D538 IonicContact NZ-OD2 2.75Å; K509-D538 PolarHBondContact NZ-OD2 3.02Å
510	C	94.8	Very high	82.5	Confident	3 Å²	3	66.1 Å²	66.1	2%	0.02	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	162.2	165.1	53.9	0	0	0	0	112.6	E514 I519 L531 V532 V533 V534	C510-E514 WeakPolarHBondContact CA-OE1 3.46Å; C510-E514 WeakPolarHBondContact CB-OE1 3.14Å; C510-I519 HydrophobicContact CB-CD1 3.31Å; C510-L531 HydrophobicContact CB-CD1 3.99Å; C510-V532 PolarHBondContact N-O 3.46Å; C510-V533 CarbonylContact O-C 3.59Å; C510-V533 VanDerWaalsContact O-CA 3.26Å; C510-V533 WeakPolarHBondContact O-CA 3.45Å; C510-V534 PolarHBondContact O-N 2.84Å
511	N	94.6	Very high	83.4	Confident	39 Å²	39	66.7 Å²	66.7	21%	0.209	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	147.7	171.7	-174	-43	0	0	0	110	L513 E514	N511-L513 PolarHBondContact O-N 3.22Å; N511-L513 PolarHBondContact OD1-N 3.15Å; N511-E514 HydrophobicContact CB-CG 4.25Å; N511-E514 PolarHBondContact N-OE1 2.69Å; N511-E514 WeakPolarHBondContact O-CB 3.43Å; N511-E514 WeakPolarHBondContact O-CG 3.25Å; N511-E514 PolarHBondContact O-N 2.84Å; N511-E514 VanDerWaalsContact O-N 3.11Å
512	K	92.8	Very high	85.1	Confident	72 Å²	72	65 Å²	65	31%	0.313	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-21.3	177.5	75.5	-169.7	-162.4	114.9	0	114.2	L424 D425 E514 V533	L424-K512 WeakPolarHBondContact CB-O 3.34Å; L424-K512 PolarHBondContact N-O 2.96Å; D425-K512 HydrophobicContact CB-CB 4.22Å; D425-K512 HydrophobicContact CB-CG 4.2Å; D425-K512 PolarHBondContact N-O 2.97Å; D425-K512 VanDerWaalsContact N-O 3.1Å; D425-K512 WeakPolarHBondContact OD1-CD 3.42Å; D425-K512 IonicContact OD1-NZ 2.77Å; D425-K512 PolarHBondContact OD1-NZ 3.07Å; D425-K512 IonicContact OD2-NZ 3.08Å; D425-K512 PolarHBondContact OD2-NZ 3.47Å; K512-E514 VanDerWaalsContact C-N 3.28Å; K512-V533 HydrophobicContact CB-CG1 4.24Å
513	L	92.6	Very high	87.2	Confident	96 Å²	96	55.6 Å²	55.6	50%	0.503	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	5	176.8	-56.9	-179.8	0	0	0	113.6	N423 N511	N423-L513 PolarHBondContact OD1-O 3.48Å; N511-L513 PolarHBondContact O-N 3.22Å; N511-L513 PolarHBondContact OD1-N 3.15Å
514	E	94.5	Very high	89.2	Confident	37 Å²	37	46 Å²	46	17%	0.173	23%	0.234	C	C	.	.	S	Bend	trans	-84.3	145.7	173	-64.5	-173.8	-128.5	0	0	112.1	N423 L424 C510 N511 K512 I519 R522	N423-E514 WeakPolarHBondContact CA-O 3.41Å; L424-E514 PolarHBondContact N-O 3.06Å; L424-E514 VanDerWaalsContact N-O 3.08Å; C510-E514 WeakPolarHBondContact CA-OE1 3.46Å; C510-E514 WeakPolarHBondContact CB-OE1 3.14Å; N511-E514 HydrophobicContact CB-CG 4.25Å; N511-E514 PolarHBondContact N-OE1 2.69Å; N511-E514 WeakPolarHBondContact O-CB 3.43Å; N511-E514 WeakPolarHBondContact O-CG 3.25Å; N511-E514 PolarHBondContact O-N 2.84Å; N511-E514 VanDerWaalsContact O-N 3.11Å; K512-E514 VanDerWaalsContact C-N 3.28Å; E514-I519 HydrophobicContact CB-CD1 3.92Å; E514-I519 HydrophobicContact CB-CG1 4.2Å; E514-R522 VanDerWaalsContact CD-NH1 3.33Å; E514-R522 IonicContact OE1-CZ 3.13Å; E514-R522 IonicContact OE1-NH1 3.06Å; E514-R522 PolarHBondContact OE1-NH1 3.46Å; E514-R522 IonicContact OE1-NH2 2.77Å; E514-R522 IonicContact OE2-CZ 2.72Å; E514-R522 IonicContact OE2-NH1 3.61Å; E514-R522 PolarHBondContact OE2-NH1 3.11Å; E514-R522 IonicContact OE2-NH2 3.57Å; E514-R522 PolarHBondContact OE2-NH2 2.82Å
515	I	94.6	Very high	90.6	Very high	55 Å²	55	50.4 Å²	50.4	28%	0.282	25%	0.248	S	C	.	.	B	Isolated β-bridge	trans	-72.9	144.2	174.6	62.7	173.1	0	0	0	112.2	K421 Q422 N423 E517 T518 I519	K421-I515 VanDerWaalsContact O-CG2 3.31Å; K421-I515 WeakPolarHBondContact O-CG2 3.49Å; Q422-I515 WeakPolarHBondContact O-CA 3.43Å; N423-I515 WeakPolarHBondContact OD1-CG2 3.43Å; I515-E517 HydrophobicContact CD1-CB 4.23Å; I515-E517 HydrophobicContact CG1-CB 4.44Å; I515-E517 PolarHBondContact O-N 3.08Å; I515-E517 VanDerWaalsContact O-N 3.13Å; I515-T518 PolarHBondContact O-N 3.41Å; I515-I519 PolarHBondContact O-N 2.93Å
516	L	93.3	Very high	92.1	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-54	-36.2	-178	-179.1	61.3	0	0	0	113.5	F419 M420 Q422 L424 L427 I429 T518 I519 V520 L553	F419-L516 HydrophobicContact CD2-CD2 4.11Å; F419-L516 HydrophobicContact CE2-CD2 4.43Å; M420-L516 HydrophobicContact SD-CD2 3.91Å; M420-L516 HydrophobicContact SD-CG 4.22Å; Q422-L516 PolarHBondContact O-N 2.77Å; Q422-L516 VanDerWaalsContact O-N 3.15Å; L424-L516 HydrophobicContact CD2-CD1 4.3Å; L427-L516 HydrophobicContact CD1-CB 3.86Å; L427-L516 HydrophobicContact CD1-CD2 4.13Å; I429-L516 HydrophobicContact CD1-CD1 3.88Å; I429-L516 HydrophobicContact CD1-CD2 3.8Å; I429-L516 HydrophobicContact CD1-CG 4.41Å; L516-T518 PolarHBondContact O-N 2.81Å; L516-I519 WeakPolarHBondContact O-CB 3.39Å; L516-I519 PolarHBondContact O-N 3.22Å; L516-I519 VanDerWaalsContact O-N 3.16Å; L516-V520 HydrophobicContact CD1-CG2 4.09Å; L516-V520 HydrophobicContact CG-CG2 4.26Å; L516-V520 WeakPolarHBondContact O-CG2 3.22Å; L516-V520 PolarHBondContact O-N 3.19Å; L516-L553 HydrophobicContact CD2-CD2 3.92Å
517	E	92.8	Very high	92.9	Very high	41 Å²	41	45 Å²	45	19%	0.192	22%	0.222	C	C	.	.	H	α-helix	trans	-55.7	-46.6	175.9	-173.7	170.6	156.8	0	0	112.9	K416 M420 I515 I519 V520 D521	K416-E517 WeakPolarHBondContact CD-OE2 3.48Å; K416-E517 IonicContact NZ-OE1 2.69Å; K416-E517 PolarHBondContact NZ-OE1 3.39Å; K416-E517 IonicContact NZ-OE2 3.77Å; M420-E517 HydrophobicContact CE-CB 4.05Å; M420-E517 HydrophobicContact CE-CG 4.46Å; M420-E517 WeakPolarHBondContact O-CB 3.44Å; M420-E517 PolarHBondContact O-N 2.95Å; I515-E517 HydrophobicContact CD1-CB 4.23Å; I515-E517 HydrophobicContact CG1-CB 4.44Å; I515-E517 PolarHBondContact O-N 3.08Å; I515-E517 VanDerWaalsContact O-N 3.13Å; E517-I519 VanDerWaalsContact C-N 3.27Å; E517-I519 PolarHBondContact O-N 3.42Å; E517-V520 PolarHBondContact O-N 3.39Å; E517-D521 WeakPolarHBondContact O-CB 3.34Å; E517-D521 PolarHBondContact O-N 2.65Å
518	T	94.1	Very high	93.1	Very high	57 Å²	57	46.1 Å²	46.1	35%	0.35	23%	0.228	S	C	.	.	H	α-helix	trans	-67.9	-30.6	179.6	-65.2	0	0	0	0	111.8	I515 L516 R522	I515-T518 PolarHBondContact O-N 3.41Å; L516-T518 PolarHBondContact O-N 2.81Å; T518-R522 WeakPolarHBondContact O-CB 3.16Å; T518-R522 PolarHBondContact O-N 2.9Å
519	I	94.5	Very high	93.2	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-71.4	-44.4	178.1	-61.9	-65.5	0	0	0	111.5	L424 C510 E514 I515 L516 E517 R522 I523 L531 I549	L424-I519 HydrophobicContact CD1-CD1 3.63Å; L424-I519 HydrophobicContact CD1-CG1 3.65Å; L424-I519 HydrophobicContact CD2-CG1 4.17Å; L424-I519 HydrophobicContact CD2-CG2 4.42Å; L424-I519 HydrophobicContact CG-CD1 4.5Å; L424-I519 HydrophobicContact CG-CG1 3.99Å; C510-I519 HydrophobicContact CB-CD1 3.31Å; E514-I519 HydrophobicContact CB-CD1 3.92Å; E514-I519 HydrophobicContact CB-CG1 4.2Å; I515-I519 PolarHBondContact O-N 2.93Å; L516-I519 WeakPolarHBondContact O-CB 3.39Å; L516-I519 PolarHBondContact O-N 3.22Å; L516-I519 VanDerWaalsContact O-N 3.16Å; E517-I519 VanDerWaalsContact C-N 3.27Å; E517-I519 PolarHBondContact O-N 3.42Å; I519-R522 PolarHBondContact O-N 3.19Å; I519-I523 WeakPolarHBondContact O-CG2 3.42Å; I519-I523 PolarHBondContact O-N 2.93Å; I519-L531 HydrophobicContact CD1-CD1 4.21Å; I519-L531 HydrophobicContact CG2-CD1 4.05Å; I519-I549 HydrophobicContact CG2-CD1 4.23Å
520	V	93.9	Very high	93.2	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-64.9	-45.9	175.7	178.2	0	0	0	0	110.5	L404 M411 M420 L516 E517 R522 I523 V524 I549 L553	L404-V520 HydrophobicContact CD1-CG1 4.15Å; L404-V520 HydrophobicContact CD2-CG1 4.4Å; L404-V520 HydrophobicContact CG-CG1 4.41Å; M411-V520 HydrophobicContact CE-CG1 4.07Å; M411-V520 HydrophobicContact SD-CG1 4.35Å; M420-V520 HydrophobicContact CE-CG2 4.5Å; L516-V520 HydrophobicContact CD1-CG2 4.09Å; L516-V520 HydrophobicContact CG-CG2 4.26Å; L516-V520 WeakPolarHBondContact O-CG2 3.22Å; L516-V520 PolarHBondContact O-N 3.19Å; E517-V520 PolarHBondContact O-N 3.39Å; V520-R522 VanDerWaalsContact C-N 3.33Å; V520-R522 PolarHBondContact O-N 2.95Å; V520-I523 WeakPolarHBondContact O-CG2 3.3Å; V520-I523 PolarHBondContact O-N 2.9Å; V520-V524 HydrophobicContact CG1-CG2 4.41Å; V520-V524 WeakPolarHBondContact O-CB 3.48Å; V520-V524 WeakPolarHBondContact O-CG2 3.3Å; V520-V524 PolarHBondContact O-N 2.86Å; V520-I549 HydrophobicContact CG2-CG2 3.91Å; V520-L553 HydrophobicContact CG2-CD1 4.35Å
521	D	92.8	Very high	93.2	Very high	58 Å²	58	46 Å²	46	31%	0.31	23%	0.225	S	C	.	.	H	α-helix	trans	-57.7	-43.8	174.5	-86.9	27	0	0	0	112.2	Q408 E517 R525	Q408-D521 PolarHBondContact NE2-OD1 3.17Å; E517-D521 WeakPolarHBondContact O-CB 3.34Å; E517-D521 PolarHBondContact O-N 2.65Å; D521-R525 WeakPolarHBondContact O-CB 3.46Å; D521-R525 PolarHBondContact O-N 2.88Å
522	R	94.3	Very high	93.3	Very high	58 Å²	58	44.2 Å²	44.2	22%	0.219	22%	0.215	C	C	.	.	H	α-helix	trans	-67.1	-48.4	-179.7	-174.5	177.3	-60.3	156.1	14.4	112.1	V508 K509 E514 T518 I519 V520 V524 R525 A526 L531	V508-R522 HydrophobicContact CG1-CG 3.84Å; K509-R522 WeakPolarHBondContact O-CD 3.08Å; K509-R522 PolarHBondContact O-NH1 3.05Å; E514-R522 VanDerWaalsContact CD-NH1 3.33Å; E514-R522 IonicContact OE1-CZ 3.13Å; E514-R522 IonicContact OE1-NH1 3.06Å; E514-R522 PolarHBondContact OE1-NH1 3.46Å; E514-R522 IonicContact OE1-NH2 2.77Å; E514-R522 IonicContact OE2-CZ 2.72Å; E514-R522 IonicContact OE2-NH1 3.61Å; E514-R522 PolarHBondContact OE2-NH1 3.11Å; E514-R522 IonicContact OE2-NH2 3.57Å; E514-R522 PolarHBondContact OE2-NH2 2.82Å; T518-R522 WeakPolarHBondContact O-CB 3.16Å; T518-R522 PolarHBondContact O-N 2.9Å; I519-R522 PolarHBondContact O-N 3.19Å; V520-R522 VanDerWaalsContact C-N 3.33Å; V520-R522 PolarHBondContact O-N 2.95Å; R522-V524 PolarHBondContact O-N 2.93Å; R522-R525 PolarHBondContact O-N 3.04Å; R522-A526 VanDerWaalsContact O-CB 3.27Å; R522-A526 WeakPolarHBondContact O-CB 3.39Å; R522-A526 PolarHBondContact O-N 3.09Å; R522-L531 HydrophobicContact CB-CD1 4.45Å; R522-L531 HydrophobicContact CG-CD1 4.35Å; R522-L531 HydrophobicContact CG-CD2 4.49Å
523	I	94.4	Very high	93.5	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.005	20%	0.2	C	C	.	.	H	α-helix	trans	-69.6	-33.4	-176.6	-161.1	174.2	0	0	0	112.2	L404 I519 V520 E527 V528 L531 L546 I549	L404-I523 HydrophobicContact CD2-CG2 3.91Å; I519-I523 WeakPolarHBondContact O-CG2 3.42Å; I519-I523 PolarHBondContact O-N 2.93Å; V520-I523 WeakPolarHBondContact O-CG2 3.3Å; V520-I523 PolarHBondContact O-N 2.9Å; I523-E527 PolarHBondContact O-N 3.36Å; I523-V528 HydrophobicContact CG1-CG2 3.94Å; I523-L531 HydrophobicContact CB-CD1 4.44Å; I523-L531 HydrophobicContact CB-CD2 4.13Å; I523-L531 HydrophobicContact CB-CG 4.17Å; I523-L531 HydrophobicContact CD1-CG 4.31Å; I523-L531 HydrophobicContact CG1-CD2 4.12Å; I523-L531 HydrophobicContact CG1-CG 4.24Å; I523-L546 HydrophobicContact CD1-CD2 3.69Å; I523-L546 HydrophobicContact CD1-CG 3.92Å; I523-L546 HydrophobicContact CG1-CD2 4Å; I523-L546 HydrophobicContact CG2-CD2 4.2Å; I523-I549 HydrophobicContact CD1-CD1 3.99Å; I523-I549 HydrophobicContact CG2-CD1 3.85Å
524	V	92.4	Very high	93.6	Very high	22 Å²	22	36.8 Å²	36.8	13%	0.133	18%	0.18	C	C	.	.	H	α-helix	trans	-73	-46	174	177.2	0	0	0	0	111.1	L404 K405 Q408 V520 R522 E527	L404-V524 HydrophobicContact CD2-CG2 3.74Å; L404-V524 HydrophobicContact CG-CG2 3.77Å; K405-V524 HydrophobicContact CB-CG1 4.22Å; K405-V524 HydrophobicContact CG-CG1 4.04Å; Q408-V524 HydrophobicContact CB-CG1 4.2Å; Q408-V524 HydrophobicContact CB-CG2 4.37Å; Q408-V524 HydrophobicContact CG-CB 4.46Å; Q408-V524 HydrophobicContact CG-CG1 4.08Å; V520-V524 HydrophobicContact CG1-CG2 4.41Å; V520-V524 WeakPolarHBondContact O-CB 3.48Å; V520-V524 WeakPolarHBondContact O-CG2 3.3Å; V520-V524 PolarHBondContact O-N 2.86Å; R522-V524 PolarHBondContact O-N 2.93Å; V524-E527 PolarHBondContact O-N 2.78Å; V524-E527 VanDerWaalsContact O-N 3.15Å
525	R	91.4	Very high	93.6	Very high	177 Å²	177	38 Å²	38	67%	0.668	19%	0.187	S	C	*	.	H	α-helix	trans	-63.3	-43.9	179.7	-178.6	172.6	66.3	-110.2	6.9	112.7	D521 R522 E527	D521-R525 WeakPolarHBondContact O-CB 3.46Å; D521-R525 PolarHBondContact O-N 2.88Å; R522-R525 PolarHBondContact O-N 3.04Å; R525-E527 PolarHBondContact O-N 3.35Å
526	A	90.5	Very high	93.5	Very high	38 Å²	38	43.8 Å²	43.8	31%	0.314	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-0.7	177.5	0	0	0	0	0	113.3	V508 R522 V528	V508-A526 HydrophobicContact CG1-CB 3.94Å; V508-A526 HydrophobicContact CG2-CB 3.86Å; R522-A526 VanDerWaalsContact O-CB 3.27Å; R522-A526 WeakPolarHBondContact O-CB 3.39Å; R522-A526 PolarHBondContact O-N 3.09Å; A526-V528 HydrophobicContact CB-CG2 4.31Å; A526-V528 WeakPolarHBondContact O-CG1 3.47Å; A526-V528 PolarHBondContact O-N 3.42Å
527	E	90.3	Very high	93.5	Very high	84 Å²	84	46.2 Å²	46.2	39%	0.393	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	14.5	174.2	-75.3	-99.4	137.3	0	0	114.9	K401 K405 I523 V524 R525	K401-E527 WeakPolarHBondContact CE-O 3.26Å; K401-E527 WeakPolarHBondContact CE-OE2 3.31Å; K401-E527 PolarHBondContact NZ-O 3.03Å; K401-E527 IonicContact NZ-OE2 2.69Å; K401-E527 PolarHBondContact NZ-OE2 3.04Å; K405-E527 IonicContact NZ-OE1 2.68Å; K405-E527 PolarHBondContact NZ-OE1 3.2Å; I523-E527 PolarHBondContact O-N 3.36Å; V524-E527 PolarHBondContact O-N 2.78Å; V524-E527 VanDerWaalsContact O-N 3.15Å; R525-E527 PolarHBondContact O-N 3.35Å
528	V	91.6	Very high	93.5	Very high	45 Å²	45	47.3 Å²	47.3	27%	0.273	24%	0.24	S	C	.	.			trans	-87.3	172	-176.2	-64.8	0	0	0	0	113.5	V508 I523 A526 R530 L531	V508-V528 HydrophobicContact CB-CG2 4.26Å; V508-V528 HydrophobicContact CG2-CG1 3.76Å; V508-V528 HydrophobicContact CG2-CG2 4.06Å; I523-V528 HydrophobicContact CG1-CG2 3.94Å; A526-V528 HydrophobicContact CB-CG2 4.31Å; A526-V528 WeakPolarHBondContact O-CG1 3.47Å; A526-V528 PolarHBondContact O-N 3.42Å; V528-R530 VanDerWaalsContact CG2-O 3.29Å; V528-R530 WeakPolarHBondContact CG2-O 3.39Å; V528-L531 HydrophobicContact CG2-CD2 3.99Å
529	H	92.3	Very high	93.5	Very high	61 Å²	61	45.9 Å²	45.9	28%	0.282	23%	0.232	S	C	.	.	S	Bend	trans	-97.4	-12.8	-178.9	-83	-102.8	0	0	0	114.8	R301 L546	R301-H529 PolarHBondContact NH1-NE2 3.3Å; H529-L546 HydrophobicContact CB-CD1 4.39Å; H529-L546 PolarHBondContact O-N 2.98Å; H529-L546 VanDerWaalsContact O-N 3.17Å
530	R	94.9	Very high	93.6	Very high	26 Å²	26	47.6 Å²	47.6	10%	0.098	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	162	176.8	82.1	-158.1	77.6	-126.5	-5.7	110.1	S457 I471 V528 I543 I544	S457-R530 VanDerWaalsContact C-NH2 3.25Å; S457-R530 PolarHBondContact O-NH2 3.16Å; S457-R530 PolarHBondContact OG-NH1 3.02Å; S457-R530 PolarHBondContact OG-NH2 2.84Å; I471-R530 HydrophobicContact CD1-CG 3.93Å; V528-R530 VanDerWaalsContact CG2-O 3.29Å; V528-R530 WeakPolarHBondContact CG2-O 3.39Å; R530-I543 HydrophobicContact CB-CG2 4.12Å; R530-I543 HydrophobicContact CG-CG2 4.01Å; R530-I544 CarbonylContact C-O 3.59Å; R530-I544 WeakPolarHBondContact CA-O 3.31Å; R530-I544 VanDerWaalsContact CB-O 3.24Å; R530-I544 WeakPolarHBondContact CB-O 3.25Å
531	L	95.6	Very high	93.6	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	153	160.5	-53.4	-173.9	0	0	0	109.4	V508 C510 I519 R522 I523 V528 I544	V508-L531 HydrophobicContact CB-CD2 3.72Å; V508-L531 HydrophobicContact CG1-CD2 3.47Å; V508-L531 VanDerWaalsContact CG1-CD2 3.47Å; V508-L531 WeakPolarHBondContact O-CA 3.3Å; C510-L531 HydrophobicContact CB-CD1 3.99Å; I519-L531 HydrophobicContact CD1-CD1 4.21Å; I519-L531 HydrophobicContact CG2-CD1 4.05Å; R522-L531 HydrophobicContact CB-CD1 4.45Å; R522-L531 HydrophobicContact CG-CD1 4.35Å; R522-L531 HydrophobicContact CG-CD2 4.49Å; I523-L531 HydrophobicContact CB-CD1 4.44Å; I523-L531 HydrophobicContact CB-CD2 4.13Å; I523-L531 HydrophobicContact CB-CG 4.17Å; I523-L531 HydrophobicContact CD1-CG 4.31Å; I523-L531 HydrophobicContact CG1-CD2 4.12Å; I523-L531 HydrophobicContact CG1-CG 4.24Å; V528-L531 HydrophobicContact CG2-CD2 3.99Å; L531-I544 PolarHBondContact N-O 3.09Å; L531-I544 PolarHBondContact O-N 3.06Å
532	V	96.4	Very high	93.7	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.006	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	124.2	167.4	-171.2	0	0	0	0	108.1	P460 V468 I471 V507 V508 K509 C510 V534 I540	P460-V532 HydrophobicContact CB-CG1 4.32Å; P460-V532 HydrophobicContact CB-CG2 4.34Å; P460-V532 HydrophobicContact CG-CG1 4.12Å; P460-V532 HydrophobicContact CG-CG2 3.98Å; V468-V532 HydrophobicContact CG1-CB 4.38Å; V468-V532 HydrophobicContact CG1-CG1 4.15Å; V468-V532 HydrophobicContact CG1-CG2 4.43Å; V468-V532 HydrophobicContact CG2-CG1 3.79Å; I471-V532 HydrophobicContact CD1-CG2 4.22Å; V507-V532 HydrophobicContact CG1-CB 4.36Å; V507-V532 HydrophobicContact CG1-CG2 3.79Å; V508-V532 PolarHBondContact O-N 2.88Å; K509-V532 CarbonylContact C-O 3.57Å; K509-V532 VanDerWaalsContact CA-O 3.3Å; K509-V532 WeakPolarHBondContact CA-O 3.47Å; C510-V532 PolarHBondContact N-O 3.46Å; V532-V534 HydrophobicContact CG1-CG1 4.44Å; V532-I540 HydrophobicContact CG1-CD1 4.33Å; V532-I540 HydrophobicContact CG1-CG1 4.12Å
533	V	96.2	Very high	93.8	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	130.5	175.8	-162.5	0	0	0	0	108.5	Y432 C510 K512 V541 G542 I544	Y432-V533 HydrophobicContact CE1-CB 4.29Å; Y432-V533 HydrophobicContact CE1-CG1 4.19Å; Y432-V533 HydrophobicContact CE1-CG2 4.05Å; C510-V533 CarbonylContact O-C 3.59Å; C510-V533 VanDerWaalsContact O-CA 3.26Å; C510-V533 WeakPolarHBondContact O-CA 3.45Å; K512-V533 HydrophobicContact CB-CG1 4.24Å; V533-V541 PolarHBondContact O-N 3.46Å; V533-G542 PolarHBondContact N-O 3.02Å; V533-G542 PolarHBondContact O-N 3.11Å; V533-I544 HydrophobicContact CG2-CD1 3.63Å; V533-I544 HydrophobicContact CG2-CG1 3.75Å
534	V	95.8	Very high	93.9	Very high	12 Å²	12	45.1 Å²	45.1	7%	0.073	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	161.9	-178.7	-62.7	0	0	0	0	112	V468 K509 C510 V532 S539	V468-V534 HydrophobicContact CB-CG1 4.26Å; V468-V534 HydrophobicContact CG2-CG1 3.72Å; K509-V534 HydrophobicContact CB-CG2 4.13Å; K509-V534 HydrophobicContact CD-CG1 4.16Å; K509-V534 HydrophobicContact CD-CG2 4.26Å; K509-V534 HydrophobicContact CG-CG1 4.36Å; C510-V534 PolarHBondContact O-N 2.84Å; V532-V534 HydrophobicContact CG1-CG1 4.44Å; V534-S539 CarbonylContact C-O 3.54Å; V534-S539 WeakPolarHBondContact CA-O 3.44Å; V534-S539 VanDerWaalsContact CB-O 3.32Å; V534-S539 WeakPolarHBondContact CB-O 3.34Å
535	N	94.1	Very high	94	Very high	63 Å²	63	44.8 Å²	44.8	34%	0.337	23%	0.232	S	C	.	.			trans	-88.2	-178	168	68.4	11	0	0	0	111.4	A537 D538 S539 V541	N535-A537 PolarHBondContact O-N 3.18Å; N535-A537 WeakPolarHBondContact OD1-CA 3.49Å; N535-A537 WeakPolarHBondContact OD1-CB 3.46Å; N535-A537 PolarHBondContact OD1-N 2.92Å; N535-D538 PolarHBondContact O-N 2.81Å; N535-D538 VanDerWaalsContact O-N 3.08Å; N535-D538 PolarHBondContact OD1-N 3.4Å; N535-D538 VanDerWaalsContact OD1-N 3.09Å; N535-S539 PolarHBondContact N-O 3.13Å; N535-S539 WeakPolarHBondContact ND2-CB 3.5Å; N535-S539 PolarHBondContact ND2-OG 3.45Å; N535-S539 WeakPolarHBondContact OD1-CB 3.3Å; N535-S539 PolarHBondContact OD1-N 2.99Å; N535-S539 PolarHBondContact OD1-OG 3.49Å; N535-V541 HydrophobicContact CB-CG2 3.76Å
536	E	92.3	Very high	94.2	Very high	176 Å²	176	36.6 Å²	36.6	82%	0.822	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-21.6	177	-61.5	175.3	-179	0	0	113.9	D538	E536-D538 VanDerWaalsContact C-N 3.28Å
537	A	92.9	Very high	94.4	Very high	51 Å²	51	36.1 Å²	36.1	42%	0.421	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	3.9	175.4	0	0	0	0	0	113.3	K467 N535 S539	K467-A537 WeakPolarHBondContact CE-O 3.08Å; N535-A537 PolarHBondContact O-N 3.18Å; N535-A537 WeakPolarHBondContact OD1-CA 3.49Å; N535-A537 WeakPolarHBondContact OD1-CB 3.46Å; N535-A537 PolarHBondContact OD1-N 2.92Å; A537-S539 PolarHBondContact O-N 3.22Å
538	D	92.8	Very high	94.6	Very high	64 Å²	64	33.9 Å²	33.9	34%	0.342	19%	0.187	S	C	.	.	S	Bend	trans	68.4	15.9	-177.3	-143	2.7	0	0	0	114.9	K467 V468 K509 N535 E536	K467-D538 WeakPolarHBondContact CA-O 3.48Å; V468-D538 PolarHBondContact N-O 3.17Å; V468-D538 VanDerWaalsContact N-O 3.07Å; K509-D538 WeakPolarHBondContact CD-OD1 3.19Å; K509-D538 WeakPolarHBondContact CE-OD1 3.25Å; K509-D538 IonicContact NZ-OD1 3.2Å; K509-D538 PolarHBondContact NZ-OD1 3.33Å; K509-D538 IonicContact NZ-OD2 2.75Å; K509-D538 PolarHBondContact NZ-OD2 3.02Å; N535-D538 PolarHBondContact O-N 2.81Å; N535-D538 VanDerWaalsContact O-N 3.08Å; N535-D538 PolarHBondContact OD1-N 3.4Å; N535-D538 VanDerWaalsContact OD1-N 3.09Å; E536-D538 VanDerWaalsContact C-N 3.28Å
539	S	95	Very high	94.7	Very high	26 Å²	26	31.8 Å²	31.8	18%	0.182	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-77.8	148.9	174.3	-41	0	0	0	0	112.1	G466 V534 N535 A537	G466-S539 VanDerWaalsContact O-CA 3.31Å; G466-S539 WeakPolarHBondContact O-CA 3.48Å; V534-S539 CarbonylContact C-O 3.54Å; V534-S539 WeakPolarHBondContact CA-O 3.44Å; V534-S539 VanDerWaalsContact CB-O 3.32Å; V534-S539 WeakPolarHBondContact CB-O 3.34Å; N535-S539 PolarHBondContact N-O 3.13Å; N535-S539 WeakPolarHBondContact ND2-CB 3.5Å; N535-S539 PolarHBondContact ND2-OG 3.45Å; N535-S539 WeakPolarHBondContact OD1-CB 3.3Å; N535-S539 PolarHBondContact OD1-N 2.99Å; N535-S539 PolarHBondContact OD1-OG 3.49Å; A537-S539 PolarHBondContact O-N 3.22Å
540	I	95.1	Very high	94.8	Very high	36 Å²	36	28.9 Å²	28.9	19%	0.185	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	132.8	178.6	-169.5	169.8	0	0	0	112.9	I435 F437 P460 V462 G466 V468 V532	I435-I540 HydrophobicContact CG2-CD1 3.76Å; F437-I540 HydrophobicContact CB-CD1 4.32Å; P460-I540 HydrophobicContact CB-CD1 3.81Å; P460-I540 HydrophobicContact CG-CD1 3.79Å; V462-I540 HydrophobicContact CG1-CB 4.25Å; V462-I540 HydrophobicContact CG1-CD1 4.46Å; V462-I540 HydrophobicContact CG1-CG2 4.13Å; G466-I540 PolarHBondContact O-N 3.46Å; G466-I540 VanDerWaalsContact O-N 3.15Å; V468-I540 HydrophobicContact CG2-CB 3.79Å; V468-I540 HydrophobicContact CG2-CG1 4.33Å; V532-I540 HydrophobicContact CG1-CD1 4.33Å; V532-I540 HydrophobicContact CG1-CG1 4.12Å
541	V	95.1	Very high	94.7	Very high	42 Å²	42	31.7 Å²	31.7	26%	0.255	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	-27.5	177.8	176.5	0	0	0	0	112.3	Y432 I435 V533 N535	Y432-V541 HydrophobicContact CD1-CG1 4.34Å; I435-V541 VanDerWaalsContact CD1-O 3.31Å; I435-V541 WeakPolarHBondContact CD1-O 3.42Å; V533-V541 PolarHBondContact O-N 3.46Å; N535-V541 HydrophobicContact CB-CG2 3.76Å
542	G	95.2	Very high	94.4	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.5	179.7	-176.1	0	0	0	0	0	114.3	T431 V533	T431-G542 CarbonylContact O-C 3.53Å; T431-G542 WeakPolarHBondContact O-CA 3.12Å; V533-G542 PolarHBondContact N-O 3.02Å; V533-G542 PolarHBondContact O-N 3.11Å
543	I	95.8	Very high	94.1	Very high	23 Å²	23	32.1 Å²	32.1	12%	0.118	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	133.6	170.2	-58.4	178.5	0	0	0	108.8	G430 T431 I435 P460 R530	G430-I543 WeakPolarHBondContact CA-O 3.13Å; T431-I543 PolarHBondContact N-O 3.4Å; T431-I543 PolarHBondContact O-N 3.3Å; I435-I543 HydrophobicContact CG2-CD1 3.83Å; I435-I543 HydrophobicContact CG2-CG1 4.05Å; P460-I543 HydrophobicContact CG-CD1 3.69Å; P460-I543 HydrophobicContact CG-CG1 4.16Å; R530-I543 HydrophobicContact CB-CG2 4.12Å; R530-I543 HydrophobicContact CG-CG2 4.01Å
544	I	95.8	Very high	93.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	116.5	172.4	-65.8	165.7	0	0	0	108.7	L424 I429 R530 L531 V533 I549	L424-I544 HydrophobicContact CD1-CD1 3.3Å; L424-I544 HydrophobicContact CD2-CD1 3.58Å; L424-I544 HydrophobicContact CG-CD1 3.97Å; I429-I544 HydrophobicContact CG2-CG2 4.42Å; I429-I544 WeakPolarHBondContact O-CG1 3.28Å; R530-I544 CarbonylContact C-O 3.59Å; R530-I544 WeakPolarHBondContact CA-O 3.31Å; R530-I544 VanDerWaalsContact CB-O 3.24Å; R530-I544 WeakPolarHBondContact CB-O 3.25Å; L531-I544 PolarHBondContact N-O 3.09Å; L531-I544 PolarHBondContact O-N 3.06Å; V533-I544 HydrophobicContact CG2-CD1 3.63Å; V533-I544 HydrophobicContact CG2-CG1 3.75Å; I544-I549 HydrophobicContact CG2-CD1 3.81Å; I544-I549 HydrophobicContact CG2-CG1 3.7Å
545	S	95.2	Very high	92.6	Very high	16 Å²	16	33.3 Å²	33.3	11%	0.112	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	163.7	177.2	79	0	0	0	0	112.7	S547 D548 I549	S545-S547 PolarHBondContact O-N 3.35Å; S545-S547 VanDerWaalsContact O-N 3.17Å; S545-S547 WeakPolarHBondContact OG-CB 3.4Å; S545-S547 PolarHBondContact OG-N 2.53Å; S545-D548 WeakPolarHBondContact CA-OD2 3.21Å; S545-D548 WeakPolarHBondContact CB-OD2 3.45Å; S545-D548 PolarHBondContact N-OD2 2.56Å; S545-D548 PolarHBondContact O-N 3.48Å; S545-D548 VanDerWaalsContact OG-CG 3.23Å; S545-D548 PolarHBondContact OG-N 3.23Å; S545-D548 PolarHBondContact OG-OD2 3.38Å; S545-I549 PolarHBondContact O-N 2.88Å
546	L	95.4	Very high	91.8	Very high	5 Å²	5	33.2 Å²	33.2	3%	0.026	19%	0.186	C	C	.	.	H	α-helix	trans	-56.9	-25.8	170.2	-66.2	168.4	0	0	0	113.3	H400 K401 L404 I523 H529 L550	H400-L546 HydrophobicContact CB-CB 3.75Å; H400-L546 HydrophobicContact CB-CD1 4.33Å; K401-L546 HydrophobicContact CB-CD1 3.67Å; K401-L546 HydrophobicContact CG-CD1 4.42Å; L404-L546 HydrophobicContact CB-CD2 4.41Å; L404-L546 HydrophobicContact CD2-CD2 3.43Å; L404-L546 VanDerWaalsContact CD2-CD2 3.43Å; I523-L546 HydrophobicContact CD1-CD2 3.69Å; I523-L546 HydrophobicContact CD1-CG 3.92Å; I523-L546 HydrophobicContact CG1-CD2 4Å; I523-L546 HydrophobicContact CG2-CD2 4.2Å; H529-L546 HydrophobicContact CB-CD1 4.39Å; H529-L546 PolarHBondContact O-N 2.98Å; H529-L546 VanDerWaalsContact O-N 3.17Å; L546-L550 WeakPolarHBondContact O-CB 3.22Å; L546-L550 WeakPolarHBondContact O-CD1 3.42Å; L546-L550 WeakPolarHBondContact O-CG 3.24Å; L546-L550 PolarHBondContact O-N 2.89Å; L546-L550 VanDerWaalsContact O-N 3.1Å
547	S	94.3	Very high	90.6	Very high	27 Å²	27	25.4 Å²	25.4	19%	0.189	15%	0.15	C	C	.	.	H	α-helix	trans	-70.6	-44.9	177.5	-50.2	0	0	0	0	110.8	H400 S545 L550 Q551	H400-S547 PolarHBondContact CE1-OG 3.29Å; S545-S547 PolarHBondContact O-N 3.35Å; S545-S547 VanDerWaalsContact O-N 3.17Å; S545-S547 WeakPolarHBondContact OG-CB 3.4Å; S545-S547 PolarHBondContact OG-N 2.53Å; S547-L550 PolarHBondContact O-N 2.85Å; S547-Q551 WeakPolarHBondContact O-CB 3.3Å; S547-Q551 PolarHBondContact O-N 2.89Å
548	D	94.7	Very high	88.9	Confident	38 Å²	38	24.5 Å²	24.5	20%	0.203	14%	0.143	C	C	.	.	H	α-helix	trans	-66.3	-41.5	-178.6	-44.1	-53.4	0	0	0	110.4	I429 S545 Q551 A552	I429-D548 HydrophobicContact CG2-CB 4.29Å; S545-D548 WeakPolarHBondContact CA-OD2 3.21Å; S545-D548 WeakPolarHBondContact CB-OD2 3.45Å; S545-D548 PolarHBondContact N-OD2 2.56Å; S545-D548 PolarHBondContact O-N 3.48Å; S545-D548 VanDerWaalsContact OG-CG 3.23Å; S545-D548 PolarHBondContact OG-N 3.23Å; S545-D548 PolarHBondContact OG-OD2 3.38Å; D548-Q551 PolarHBondContact O-N 3.03Å; D548-A552 WeakPolarHBondContact O-CB 3.22Å; D548-A552 PolarHBondContact O-N 2.65Å
549	I	94.6	Very high	86.7	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-60.8	-50.5	173.5	-68.1	172	0	0	0	111	L404 I519 V520 I523 I544 S545 Q551 A552 L553	L404-I549 HydrophobicContact CD1-CG2 3.9Å; L404-I549 HydrophobicContact CD2-CG2 4.01Å; I519-I549 HydrophobicContact CG2-CD1 4.23Å; V520-I549 HydrophobicContact CG2-CG2 3.91Å; I523-I549 HydrophobicContact CD1-CD1 3.99Å; I523-I549 HydrophobicContact CG2-CD1 3.85Å; I544-I549 HydrophobicContact CG2-CD1 3.81Å; I544-I549 HydrophobicContact CG2-CG1 3.7Å; S545-I549 PolarHBondContact O-N 2.88Å; I549-Q551 VanDerWaalsContact C-N 3.3Å; I549-Q551 PolarHBondContact O-N 2.73Å; I549-A552 PolarHBondContact O-N 3.42Å; I549-L553 HydrophobicContact CG2-CD1 3.67Å; I549-L553 HydrophobicContact CG2-CG 4.16Å; I549-L553 WeakPolarHBondContact O-CB 3.16Å; I549-L553 VanDerWaalsContact O-CG 3.26Å; I549-L553 WeakPolarHBondContact O-CG 3.35Å; I549-L553 PolarHBondContact O-N 2.59Å
550	L	93.8	Very high	84.7	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-67.6	-30.2	-179.6	-73.1	167.8	0	0	0	112.5	V373 H400 I403 L404 L546 S547 I554	V373-L550 HydrophobicContact CG1-CB 4.22Å; H400-L550 HydrophobicContact CB-CD1 3.71Å; I403-L550 HydrophobicContact CB-CD1 4.48Å; I403-L550 HydrophobicContact CG2-CD1 4.47Å; I403-L550 HydrophobicContact CG2-CD2 4.13Å; L404-L550 HydrophobicContact CB-CD1 4.48Å; L404-L550 HydrophobicContact CB-CD2 4.17Å; L404-L550 HydrophobicContact CB-CG 4.46Å; L404-L550 HydrophobicContact CD1-CD2 3.87Å; L404-L550 HydrophobicContact CD1-CG 4.4Å; L546-L550 WeakPolarHBondContact O-CB 3.22Å; L546-L550 WeakPolarHBondContact O-CD1 3.42Å; L546-L550 WeakPolarHBondContact O-CG 3.24Å; L546-L550 PolarHBondContact O-N 2.89Å; L546-L550 VanDerWaalsContact O-N 3.1Å; S547-L550 PolarHBondContact O-N 2.85Å; L550-I554 HydrophobicContact CB-CD1 4.35Å; L550-I554 HydrophobicContact CD2-CD1 3.49Å; L550-I554 VanDerWaalsContact CD2-CD1 3.49Å; L550-I554 VanDerWaalsContact O-CB 3.31Å; L550-I554 WeakPolarHBondContact O-CB 3.43Å; L550-I554 PolarHBondContact O-N 2.96Å
551	Q	92.6	Very high	82.3	Confident	85 Å²	85	32.4 Å²	32.4	40%	0.397	19%	0.192	S	C	.	.	I	π-helix	trans	-62.8	-51.4	170.2	-171.5	171.1	-37.7	0	0	110.8	I377 S547 D548 I549 L553 I554 L555 T556	I377-Q551 HydrophobicContact CD1-CB 3.96Å; S547-Q551 WeakPolarHBondContact O-CB 3.3Å; S547-Q551 PolarHBondContact O-N 2.89Å; D548-Q551 PolarHBondContact O-N 3.03Å; I549-Q551 VanDerWaalsContact C-N 3.3Å; I549-Q551 PolarHBondContact O-N 2.73Å; Q551-L553 VanDerWaalsContact C-N 3.35Å; Q551-L553 PolarHBondContact O-N 2.63Å; Q551-I554 PolarHBondContact O-N 3.13Å; Q551-L555 HydrophobicContact CG-CB 4.39Å; Q551-L555 PolarHBondContact O-N 3.23Å; Q551-T556 PolarHBondContact O-N 2.69Å
552	A	90.6	Very high	79.7	Confident	10 Å²	10	37.8 Å²	37.8	8%	0.083	21%	0.214	C	C	.	.	I	π-helix	trans	-70.8	-22.2	-177.2	0	0	0	0	0	115	I429 D548 I549 T556 P557 A558	I429-A552 HydrophobicContact CD1-CB 3.54Å; I429-A552 HydrophobicContact CG1-CB 3.67Å; I429-A552 HydrophobicContact CG2-CB 4.27Å; D548-A552 WeakPolarHBondContact O-CB 3.22Å; D548-A552 PolarHBondContact O-N 2.65Å; I549-A552 PolarHBondContact O-N 3.42Å; A552-T556 CarbonylContact C-O 3.6Å; A552-T556 WeakPolarHBondContact CA-O 3.38Å; A552-P557 VanDerWaalsContact O-CA 3.31Å; A552-P557 WeakPolarHBondContact O-CA 3.27Å; A552-A558 HydrophobicContact CB-CB 4.47Å; A552-A558 PolarHBondContact O-N 3.01Å; A552-A558 VanDerWaalsContact O-N 3.13Å
553	L	88.6	Confident	76.7	Confident	0 Å²	0	47 Å²	47	0%	0	25%	0.254	C	S	.	.	I	π-helix	trans	-88.4	-26.3	175.6	-68.8	-179	0	0	0	113.6	Y260 L404 L407 F419 M420 L516 V520 I549 Q551	Y260-L553 HydrophobicContact CD2-CB 4.49Å; Y260-L553 HydrophobicContact CD2-CD2 4.04Å; Y260-L553 HydrophobicContact CE2-CD2 4.12Å; L404-L553 HydrophobicContact CD1-CD1 3.84Å; L407-L553 HydrophobicContact CD2-CD1 4.04Å; F419-L553 HydrophobicContact CE2-CD2 3.83Å; M420-L553 HydrophobicContact SD-CD2 3.63Å; L516-L553 HydrophobicContact CD2-CD2 3.92Å; V520-L553 HydrophobicContact CG2-CD1 4.35Å; I549-L553 HydrophobicContact CG2-CD1 3.67Å; I549-L553 HydrophobicContact CG2-CG 4.16Å; I549-L553 WeakPolarHBondContact O-CB 3.16Å; I549-L553 VanDerWaalsContact O-CG 3.26Å; I549-L553 WeakPolarHBondContact O-CG 3.35Å; I549-L553 PolarHBondContact O-N 2.59Å; Q551-L553 VanDerWaalsContact C-N 3.35Å; Q551-L553 PolarHBondContact O-N 2.63Å
554	I	85.4	Confident	73.7	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.283	C	S	.	.	I	π-helix	trans	-131.1	-43.7	-162.1	-56.6	161	0	0	0	113.7	M261 M264 F370 V373 L550 Q551	M261-I554 VanDerWaalsContact CE-O 3.31Å; M261-I554 WeakPolarHBondContact CE-O 3.49Å; M264-I554 HydrophobicContact CB-CG2 4.2Å; M264-I554 HydrophobicContact CE-CD1 3.66Å; M264-I554 HydrophobicContact CG-CD1 3.85Å; M264-I554 HydrophobicContact CG-CG1 4.09Å; M264-I554 HydrophobicContact CG-CG2 4.24Å; F370-I554 HydrophobicContact CD2-CG2 3.62Å; F370-I554 HydrophobicContact CE2-CG2 4.13Å; V373-I554 HydrophobicContact CG1-CB 4.36Å; V373-I554 HydrophobicContact CG1-CD1 4.11Å; V373-I554 HydrophobicContact CG1-CG2 4.33Å; V373-I554 HydrophobicContact CG2-CD1 3.99Å; L550-I554 HydrophobicContact CB-CD1 4.35Å; L550-I554 HydrophobicContact CD2-CD1 3.49Å; L550-I554 VanDerWaalsContact CD2-CD1 3.49Å; L550-I554 VanDerWaalsContact O-CB 3.31Å; L550-I554 WeakPolarHBondContact O-CB 3.43Å; L550-I554 PolarHBondContact O-N 2.96Å; Q551-I554 PolarHBondContact O-N 3.13Å
555	L	75.2	Confident	70.7	Confident	37 Å²	37	59 Å²	59	19%	0.194	32%	0.318	C	S	.	.	I	π-helix	trans	-94	-37.7	-175.3	-60.3	-173.2	0	0	0	112.6	F370 V373 Y374 I377 Q551	F370-L555 HydrophobicContact CD2-CD2 4.48Å; F370-L555 HydrophobicContact CE2-CD2 3.9Å; F370-L555 HydrophobicContact CZ-CD2 4.09Å; V373-L555 HydrophobicContact CG1-CD1 4.49Å; V373-L555 HydrophobicContact CG1-CD2 4.35Å; V373-L555 HydrophobicContact CG1-CG 4.2Å; Y374-L555 HydrophobicContact CD2-CD1 4.36Å; Y374-L555 HydrophobicContact CD2-CD2 4.19Å; I377-L555 HydrophobicContact CB-CD1 4.03Å; I377-L555 HydrophobicContact CD1-CD1 3.58Å; I377-L555 HydrophobicContact CD1-CG 4.31Å; I377-L555 HydrophobicContact CG1-CD1 4.39Å; I377-L555 HydrophobicContact CG2-CD1 4.04Å; Q551-L555 HydrophobicContact CG-CB 4.39Å; Q551-L555 PolarHBondContact O-N 3.23Å
556	T	76.9	Confident	67.7	Low	62 Å²	62	67.3 Å²	67.3	38%	0.38	36%	0.355	S	S	.	.	S	Bend	trans	-134.3	77.9	176.8	-47.2	0	0	0	0	106.8	Q551 A552 A558	Q551-T556 PolarHBondContact O-N 2.69Å; A552-T556 CarbonylContact C-O 3.6Å; A552-T556 WeakPolarHBondContact CA-O 3.38Å; T556-A558 PolarHBondContact O-N 2.98Å; T556-A558 VanDerWaalsContact O-N 3.13Å
557	P	66.9	Low	64.7	Low	11 Å²	11	72.9 Å²	72.9	7%	0.071	39%	0.389	C	S	.	.			trans	-52.8	121.1	-178.9	-25.6	35.1	0	0	0	109.6	M261 F419 A552 G559 A560	M261-P557 HydrophobicContact CE-CG 3.97Å; F419-P557 HydrophobicContact CE1-CB 4.11Å; A552-P557 VanDerWaalsContact O-CA 3.31Å; A552-P557 WeakPolarHBondContact O-CA 3.27Å; P557-G559 PolarHBondContact O-N 2.83Å; P557-A560 VanDerWaalsContact O-CB 3.29Å; P557-A560 WeakPolarHBondContact O-CB 3.34Å; P557-A560 PolarHBondContact O-N 2.82Å
558	A	57.8	Low	61.6	Low	32 Å²	32	84.6 Å²	84.6	26%	0.264	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-1.2	-162	0	0	0	0	0	116.3	L427 I429 A552 T556	L427-A558 HydrophobicContact CB-CB 4.44Å; L427-A558 HydrophobicContact CD2-CB 3.79Å; I429-A558 HydrophobicContact CD1-CB 4.31Å; A552-A558 HydrophobicContact CB-CB 4.47Å; A552-A558 PolarHBondContact O-N 3.01Å; A552-A558 VanDerWaalsContact O-N 3.13Å; T556-A558 PolarHBondContact O-N 2.98Å; T556-A558 VanDerWaalsContact O-N 3.13Å
559	G	47.2	Very low	60	Low	42 Å²	42	87 Å²	87	43%	0.433	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-9.4	166.6	0	0	0	0	0	115.2	P557 K561	P557-G559 PolarHBondContact O-N 2.83Å; G559-K561 PolarHBondContact O-N 2.9Å; G559-K561 VanDerWaalsContact O-N 3.12Å
560	A	53.4	Low	58.2	Low	53 Å²	53	91.5 Å²	91.5	44%	0.438	48%	0.477	S	S	.	.	S	Bend	trans	-78.1	92.6	174.8	0	0	0	0	0	109.1	P557 Q562	P557-A560 VanDerWaalsContact O-CB 3.29Å; P557-A560 WeakPolarHBondContact O-CB 3.34Å; P557-A560 PolarHBondContact O-N 2.82Å; A560-Q562 PolarHBondContact O-N 2.87Å; A560-Q562 VanDerWaalsContact O-N 3.16Å
561	K	42.9	Very low	56.2	Low	198 Å²	198	96.6 Å²	96.6	86%	0.861	50%	0.503	S	S	*	.			trans	-49.4	122.6	-179.6	-65	-170.2	177.9	-170.6	0	110.7	G559 K563	G559-K561 PolarHBondContact O-N 2.9Å; G559-K561 VanDerWaalsContact O-N 3.12Å; K561-K563 PolarHBondContact O-N 3.38Å
562	Q	40.4	Very low	54	Low	154 Å²	154	97.3 Å²	97.3	72%	0.72	51%	0.51	S	S	*	.			trans	-62.5	103.9	159.3	-73.1	177.8	-25.6	0	0	107.3	A560 E564	A560-Q562 PolarHBondContact O-N 2.87Å; A560-Q562 VanDerWaalsContact O-N 3.16Å; Q562-E564 HydrophobicContact CB-CG 4.43Å; Q562-E564 PolarHBondContact O-N 3Å; Q562-E564 VanDerWaalsContact O-N 3.12Å
563	K	33	Very low	51.8	Low	193 Å²	193	102.8 Å²	102.8	84%	0.839	54%	0.536	S	S	*	.			trans	-71.6	90.9	151.5	-77.6	-175.3	176.2	-179.5	0	105.5	K561 T565	K561-K563 PolarHBondContact O-N 3.38Å; K563-T565 PolarHBondContact O-N 2.93Å; K563-T565 VanDerWaalsContact O-N 3.09Å
564	E	33.6	Very low	49.3	Very low	157 Å²	157	109.6 Å²	109.6	73%	0.734	57%	0.572	S	S	*	*			trans	-59.9	113.3	161.9	-68.1	-175.4	121.4	0	0	106.7	Q562 E566	Q562-E564 HydrophobicContact CB-CG 4.43Å; Q562-E564 PolarHBondContact O-N 3Å; Q562-E564 VanDerWaalsContact O-N 3.12Å; E564-E566 PolarHBondContact O-N 2.98Å
565	T	31.2	Very low	46.7	Very low	120 Å²	120	117.4 Å²	117.4	74%	0.736	61%	0.613	S	S	*	*			trans	-76.5	82	166.9	48.8	0	0	0	0	107.2	K563 T567	K563-T565 PolarHBondContact O-N 2.93Å; K563-T565 VanDerWaalsContact O-N 3.09Å; T565-T567 PolarHBondContact O-N 2.69Å; T565-T567 VanDerWaalsContact O-N 3.08Å
566	E	32.3	Very low	44.5	Very low	189 Å²	189	123.6 Å²	123.6	88%	0.883	65%	0.645	S	S	*	*			trans	-57.8	107.8	155.4	-67.1	-174.7	131	0	0	107.2	E564	E564-E566 PolarHBondContact O-N 2.98Å
567	T	32.3	Very low	41.8	Very low	122 Å²	122	128.8 Å²	128.8	75%	0.748	67%	0.667	S	S	*	*			trans	-113.9	130.5	166.9	52.5	0	0	0	0	107.6	T565	T565-T567 PolarHBondContact O-N 2.69Å; T565-T567 VanDerWaalsContact O-N 3.08Å
568	E	30.8	Very low	39.5	Very low	274 Å²	274	139.5 Å²	139.5	100%	1.28	72%	0.722	S	S	*	*			trans	-52.7	0	-176.1	-61	170.9	103.2	0	0	114.7

Retrieved 568 of 568 residues in 3285 ms (Link to these results)

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