A0A096MVY8_PAPAN Loading...

Dipeptidase

AlphaFold DB , UniProt , Accession A0A096MVY8, Species PAPAN (Papio anubis, Olive baboon), Gene DPEP2, Length 490 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	32.7	Very low	33.5	Very low	250 Å²	250	137.1 Å²	137.1	100%	1.232	87%	0.869	S	S	*	*				0	114.5	0	-81.4	170.4	159.2	0	0	108.3
2	Q	32	Very low	33.6	Very low	185 Å²	185	143.3 Å²	143.3	86%	0.864	87%	0.874	S	S	*	*			trans	-88.1	-180	155.9	-112.7	-172.5	-6.6	0	0	107.8
3	P	54.8	Low	33.4	Very low	110 Å²	110	138.3 Å²	138.3	71%	0.714	87%	0.869	S	S	*	*			cis	-140.5	178.9	-16.3	31.6	-10.5	0	0	0	113.8
4	A	32.5	Very low	33.5	Very low	105 Å²	105	145.8 Å²	145.8	87%	0.868	87%	0.872	S	S	*	*				-167.8	131.3	127.7	0	0	0	0	0	109.9
5	G	30.4	Very low	33.8	Very low	69 Å²	69	152.4 Å²	152.4	71%	0.711	88%	0.876	S	S	*	*			trans	-115.1	178.4	176.2	0	0	0	0	0	112.7
6	L	31.9	Very low	34.3	Very low	175 Å²	175	150.4 Å²	150.4	92%	0.916	87%	0.87	S	S	*	*			trans	-168.9	145.7	145.8	-103.5	155.4	0	0	0	110.6
7	E	33.1	Very low	35.1	Very low	194 Å²	194	151.9 Å²	151.9	91%	0.907	87%	0.873	S	S	*	*			trans	-82.7	166.7	-164.8	-60.1	169.9	130.4	0	0	114.8
8	G	27.4	Very low	35.9	Very low	80 Å²	80	150.9 Å²	150.9	83%	0.825	86%	0.863	S	S	*	*			trans	176.8	102.3	162.6	0	0	0	0	0	114.3
9	S	31.4	Very low	37.4	Very low	124 Å²	124	146.5 Å²	146.5	87%	0.867	84%	0.843	S	S	*	*			trans	-69.2	136.5	179	52.5	0	0	0	0	114.6
10	G	31.1	Very low	38.7	Very low	79 Å²	79	144.7 Å²	144.7	81%	0.814	84%	0.837	S	S	*	*			trans	-123.3	125.1	172.6	0	0	0	0	0	112.2
11	T	31.7	Very low	39.7	Very low	137 Å²	137	144 Å²	144	84%	0.84	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-83.8	148.4	-166.5	41.1	0	0	0	0	114.2	G13	T11-G13 PolarHBondContact O-N 3.37Å
12	F	34.8	Very low	41	Very low	212 Å²	212	136.4 Å²	136.4	93%	0.93	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-58.3	118.8	168.2	-97.6	-99.2	0	0	0	111.4
13	G	31	Very low	42.4	Very low	78 Å²	78	132.6 Å²	132.6	80%	0.804	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-78.3	116.3	172.2	0	0	0	0	0	112.1	T11	T11-G13 PolarHBondContact O-N 3.37Å
14	R	34	Very low	42.6	Very low	243 Å²	243	132.7 Å²	132.7	92%	0.917	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-77.8	131	168.4	-72.1	178.8	169.5	-163.6	-3.1	110
15	W	37.9	Very low	44	Very low	245 Å²	245	132.9 Å²	132.9	93%	0.928	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-67.8	145.2	162.3	-83.7	-9.7	0	0	0	110.7	L17	W15-L17 PolarHBondContact O-N 3.21Å
16	P	42.9	Very low	45.3	Very low	121 Å²	121	134.4 Å²	134.4	79%	0.786	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-73.7	119.7	175.8	29.9	-29.8	0	0	0	109.4	L18	P16-L18 PolarHBondContact O-N 3.44Å
17	L	48	Very low	46.3	Very low	176 Å²	176	130.7 Å²	130.7	92%	0.921	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-63.8	119.2	166.9	-75.2	159.6	0	0	0	108.4	W15 S19	W15-L17 PolarHBondContact O-N 3.21Å; L17-S19 PolarHBondContact O-N 3.01Å
18	L	48.4	Very low	47	Very low	133 Å²	133	126.8 Å²	126.8	70%	0.696	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-58.1	132.5	170.3	-74.7	158.1	0	0	0	109.3	P16 L22	P16-L18 PolarHBondContact O-N 3.44Å; L18-L22 HydrophobicContact CD2-CD2 3.74Å
19	S	65.3	Low	47.8	Very low	68 Å²	68	129.3 Å²	129.3	48%	0.476	71%	0.708	S	S	.	*	P	Polyproline II helix	trans	-57.2	138.1	-179.1	174.8	0	0	0	0	111.2	L17 L21 L22	L17-S19 PolarHBondContact O-N 3.01Å; S19-L21 PolarHBondContact O-N 3.18Å; S19-L21 PolarHBondContact OG-N 2.8Å; S19-L22 WeakPolarHBondContact O-CB 3.44Å; S19-L22 PolarHBondContact O-N 3.03Å
20	P	62.1	Low	48.4	Very low	110 Å²	110	130.4 Å²	130.4	71%	0.714	70%	0.704	S	S	*	*	H	α-helix	trans	-54.1	-26.5	176.8	-23.7	31.7	0	0	0	113.6	L22 L24	P20-L22 VanDerWaalsContact C-N 3.35Å; P20-L24 PolarHBondContact O-N 3.19Å; P20-L24 VanDerWaalsContact O-N 3.13Å
21	L	60	Low	48.8	Very low	129 Å²	129	132.9 Å²	132.9	68%	0.675	70%	0.698	S	S	*	*	H	α-helix	trans	-67	-34.1	176.6	-120.5	94.4	0	0	0	112.8	S19 L25	S19-L21 PolarHBondContact O-N 3.18Å; S19-L21 PolarHBondContact OG-N 2.8Å; L21-L25 PolarHBondContact O-N 3.33Å; L21-L25 VanDerWaalsContact O-N 3.14Å
22	L	60.3	Low	49.1	Very low	91 Å²	91	133.9 Å²	133.9	48%	0.476	69%	0.693	S	S	.	*	H	α-helix	trans	-75.7	-34.4	-179.4	-154.9	80.7	0	0	0	111.2	L18 S19 P20 L25 L26	L18-L22 HydrophobicContact CD2-CD2 3.74Å; S19-L22 WeakPolarHBondContact O-CB 3.44Å; S19-L22 PolarHBondContact O-N 3.03Å; P20-L22 VanDerWaalsContact C-N 3.35Å; L22-L25 PolarHBondContact O-N 3.36Å; L22-L26 PolarHBondContact O-N 3.4Å; L22-L26 VanDerWaalsContact O-N 3.15Å
23	L	60.8	Low	49.1	Very low	105 Å²	105	129 Å²	129	55%	0.55	68%	0.682	S	S	.	*	H	α-helix	trans	-67.7	-38.6	174.3	-144.5	83.9	0	0	0	111.3	L26 L27	L23-L26 PolarHBondContact O-N 2.79Å; L23-L27 PolarHBondContact O-N 3.04Å; L23-L27 VanDerWaalsContact O-N 3.09Å
24	L	59.8	Low	49.2	Very low	113 Å²	113	132 Å²	132	59%	0.592	69%	0.685	S	S	*	*	H	α-helix	trans	-67.4	-37.7	176.7	-152.7	83.1	0	0	0	112.1	P20 L27 L28	P20-L24 PolarHBondContact O-N 3.19Å; P20-L24 VanDerWaalsContact O-N 3.13Å; L24-L27 PolarHBondContact O-N 2.91Å; L24-L28 HydrophobicContact CG-CD1 4.48Å; L24-L28 WeakPolarHBondContact O-CD1 3.21Å; L24-L28 PolarHBondContact O-N 3.24Å
25	L	62.4	Low	49.1	Very low	108 Å²	108	126.1 Å²	126.1	57%	0.565	68%	0.676	S	S	*	*	H	α-helix	trans	-66.1	-39	175.5	-120.6	98.8	0	0	0	112.4	L21 L22 L27 L28 L29	L21-L25 PolarHBondContact O-N 3.33Å; L21-L25 VanDerWaalsContact O-N 3.14Å; L22-L25 PolarHBondContact O-N 3.36Å; L25-L27 VanDerWaalsContact C-N 3.35Å; L25-L28 PolarHBondContact O-N 3.08Å; L25-L29 PolarHBondContact O-N 2.77Å
26	L	58	Low	48.7	Very low	102 Å²	102	119.4 Å²	119.4	53%	0.534	67%	0.665	S	S	.	*	H	α-helix	trans	-66.6	-35.1	175.4	-87.6	154.5	0	0	0	112.4	L22 L23	L22-L26 PolarHBondContact O-N 3.4Å; L22-L26 VanDerWaalsContact O-N 3.15Å; L23-L26 PolarHBondContact O-N 2.79Å
27	L	51	Low	48	Very low	97 Å²	97	119.3 Å²	119.3	51%	0.508	66%	0.662	S	S	.	*	H	α-helix	trans	-71.6	-33.5	174.8	-96.8	138.9	0	0	0	113.1	L23 L24 L25 L30	L23-L27 PolarHBondContact O-N 3.04Å; L23-L27 VanDerWaalsContact O-N 3.09Å; L24-L27 PolarHBondContact O-N 2.91Å; L25-L27 VanDerWaalsContact C-N 3.35Å; L27-L30 PolarHBondContact O-N 2.93Å
28	L	48.3	Very low	47.2	Very low	111 Å²	111	120.6 Å²	120.6	58%	0.581	66%	0.656	S	S	*	*	H	α-helix	trans	-73.4	-24.7	175.9	-83.3	154	0	0	0	113.3	L24 L25 L30	L24-L28 HydrophobicContact CG-CD1 4.48Å; L24-L28 WeakPolarHBondContact O-CD1 3.21Å; L24-L28 PolarHBondContact O-N 3.24Å; L25-L28 PolarHBondContact O-N 3.08Å; L28-L30 VanDerWaalsContact C-N 3.32Å
29	L	45.6	Very low	46.2	Very low	133 Å²	133	120.4 Å²	120.4	70%	0.696	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.6	-17.6	173.3	-83.6	156	0	0	0	113.5	L25	L25-L29 PolarHBondContact O-N 2.77Å
30	L	43.4	Very low	44.7	Very low	147 Å²	147	123.2 Å²	123.2	77%	0.77	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.6	-3.7	178	-74.2	162.6	0	0	0	113.6	L27 L28	L27-L30 PolarHBondContact O-N 2.93Å; L28-L30 VanDerWaalsContact C-N 3.32Å
31	L	38.8	Very low	43.4	Very low	132 Å²	132	124.4 Å²	124.4	69%	0.691	68%	0.683	S	S	*	*			trans	-117.8	72.9	179.5	-79	150.7	0	0	0	110
32	Q	37.9	Very low	41.9	Very low	158 Å²	158	122 Å²	122	74%	0.738	69%	0.689	S	S	*	*			trans	-112.3	129.1	160.8	-70.6	-69.7	-48.9	0	0	108.6	V34	Q32-V34 PolarHBondContact O-N 3.36Å
33	P	34.1	Very low	40.6	Very low	108 Å²	108	122.4 Å²	122.4	70%	0.701	71%	0.706	S	S	*	*			trans	-73.1	125.9	-178	28.3	-30.8	0	0	0	110.5	T35	P33-T35 PolarHBondContact O-N 3.11Å; P33-T35 VanDerWaalsContact O-N 3.12Å
34	V	34.7	Very low	40	Very low	142 Å²	142	123.1 Å²	123.1	86%	0.861	72%	0.717	S	S	*	*			trans	-67	106	166.2	178.6	0	0	0	0	107.6	Q32 C36	Q32-V34 PolarHBondContact O-N 3.36Å; V34-C36 PolarHBondContact O-N 3.48Å
35	T	31.6	Very low	38.5	Very low	120 Å²	120	129.8 Å²	129.8	74%	0.736	73%	0.734	S	S	*	*			trans	-71.2	109.8	169.6	39.5	0	0	0	0	109	P33 V37	P33-T35 PolarHBondContact O-N 3.11Å; P33-T35 VanDerWaalsContact O-N 3.12Å; T35-V37 PolarHBondContact O-N 2.98Å
36	C	30	Very low	36.8	Very low	103 Å²	103	128.7 Å²	128.7	70%	0.696	74%	0.741	S	S	*	*			trans	-73.8	107.6	173.6	-160.4	0	0	0	0	108.8	V34	V34-C36 PolarHBondContact O-N 3.48Å
37	V	27.6	Very low	35.5	Very low	119 Å²	119	131.2 Å²	131.2	72%	0.721	75%	0.754	S	S	*	*			trans	-88.6	105.9	170.8	177.8	0	0	0	0	108.2	T35 T39	T35-V37 PolarHBondContact O-N 2.98Å; V37-T39 HydrophobicContact CG1-CG2 4.41Å
38	Y	30.3	Very low	34.5	Very low	203 Å²	203	133.2 Å²	133.2	80%	0.796	77%	0.771	S	S	*	*			trans	-71.2	122.8	165.1	-88.9	-95	0	0	0	109.6
39	T	28.5	Very low	33.7	Very low	129 Å²	129	133.9 Å²	133.9	79%	0.791	78%	0.779	S	S	*	*			trans	-109.8	113.3	162.6	43.2	0	0	0	0	109.4	V37	V37-T39 HydrophobicContact CG1-CG2 4.41Å
40	T	33.1	Very low	33.1	Very low	127 Å²	127	135.7 Å²	135.7	78%	0.779	79%	0.789	S	S	*	*			trans	-86.6	154	167.8	41.4	0	0	0	0	110.6
41	P	36	Very low	32.4	Very low	135 Å²	135	132.4 Å²	132.4	88%	0.877	79%	0.79	S	S	*	*			trans	-85.7	133.3	-171	32.2	-31.5	0	0	0	112.4
42	G	27.9	Very low	32.2	Very low	79 Å²	79	130.7 Å²	130.7	81%	0.814	80%	0.795	S	S	*	*			trans	-115	121	169.1	0	0	0	0	0	111
43	A	32.6	Very low	32.4	Very low	100 Å²	100	129.5 Å²	129.5	83%	0.826	80%	0.801	S	S	*	*			trans	-92.5	-178.8	171.2	0	0	0	0	0	110.7
44	P	47.8	Very low	32.4	Very low	120 Å²	120	134.9 Å²	134.9	78%	0.779	81%	0.807	S	S	*	*				-108.8	159	-110	35.5	-20.1	0	0	0	113.8
45	R	28	Very low	32.3	Very low	252 Å²	252	133 Å²	133	95%	0.951	81%	0.806	S	S	*	*			trans	-175.3	150.3	164.8	-101.5	161.9	-174.3	-161.5	2	107.4
46	A	28.2	Very low	32.5	Very low	86 Å²	86	135 Å²	135	71%	0.711	81%	0.807	S	S	*	*			cis	-167.4	153.7	-15.7	0	0	0	0	0	104.4
47	L	31	Very low	32.7	Very low	155 Å²	155	137.1 Å²	137.1	81%	0.812	82%	0.817	S	S	*	*			trans	-51.8	137.8	176.6	-101.3	77.9	0	0	0	113.3
48	T	29.9	Very low	33.3	Very low	139 Å²	139	139.5 Å²	139.5	85%	0.853	82%	0.823	S	S	*	*			trans	-136.6	99.5	151.2	18.7	0	0	0	0	109
49	T	31.1	Very low	33.6	Very low	124 Å²	124	135.9 Å²	135.9	76%	0.761	82%	0.824	S	S	*	*			trans	-108.2	119.7	166.8	43.8	0	0	0	0	108.9
50	L	32.4	Very low	33.9	Very low	172 Å²	172	132.7 Å²	132.7	90%	0.901	82%	0.816	S	S	*	*			trans	-88.1	130.2	169.8	-115.7	93.9	0	0	0	110
51	G	28.7	Very low	34.2	Very low	78 Å²	78	133.6 Å²	133.6	80%	0.804	82%	0.822	S	S	*	*			trans	62.9	113.5	131.1	0	0	0	0	0	120.4
52	A	35.8	Very low	34.2	Very low	95 Å²	95	137.9 Å²	137.9	79%	0.785	82%	0.822	S	S	*	*			trans	-74.2	-178.7	174.8	0	0	0	0	0	114.1
53	P	42	Very low	34.7	Very low	133 Å²	133	138.3 Å²	138.3	86%	0.864	82%	0.818	S	S	*	*				-143.2	168.5	72.1	31.8	-9.5	0	0	0	117.3
54	R	34.1	Very low	35.1	Very low	221 Å²	221	139.5 Å²	139.5	83%	0.834	82%	0.817	S	S	*	*			trans	-59.9	153.1	-171.9	-68.3	169.9	166.2	169.4	-5.9	116.9
55	A	32.2	Very low	34.5	Very low	102 Å²	102	139 Å²	139	84%	0.843	82%	0.817	S	S	*	*			trans	-146.2	139.3	139.2	0	0	0	0	0	110.9
56	H	36.1	Very low	35.1	Very low	162 Å²	162	133.7 Å²	133.7	75%	0.75	81%	0.812	S	S	*	*			trans	-86.9	136.3	-177.5	-69.1	-90.3	0	0	0	111.7
57	T	34.7	Very low	35.5	Very low	148 Å²	148	135.9 Å²	135.9	91%	0.908	82%	0.817	S	S	*	*			trans	-159.4	150	149.9	-20.8	0	0	0	0	112.5
58	M	38.3	Very low	36.1	Very low	170 Å²	170	136.9 Å²	136.9	84%	0.837	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-65.6	163.8	-164.7	-65.4	-76.1	-112	0	0	116.8
59	P	38.2	Very low	36.5	Very low	127 Å²	127	133.3 Å²	133.3	83%	0.825	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-82.9	119.9	178.2	31.8	-30.1	0	0	0	112
60	G	33	Very low	37.4	Very low	61 Å²	61	132.1 Å²	132.1	63%	0.629	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-102.3	123.5	167.9	0	0	0	0	0	110.7	Y62	G60-Y62 PolarHBondContact O-N 3.44Å
61	T	41.4	Very low	38.1	Very low	147 Å²	147	129.2 Å²	129.2	90%	0.902	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-58.7	121.3	175.6	-31.4	0	0	0	0	111.1
62	Y	34.9	Very low	39.5	Very low	224 Å²	224	129 Å²	129	88%	0.878	79%	0.788	S	S	*	*			trans	-120.5	118.4	166.4	-90.4	-86.7	0	0	0	109.8	G60	G60-Y62 PolarHBondContact O-N 3.44Å
63	A	39.4	Very low	40.9	Very low	88 Å²	88	129.5 Å²	129.5	73%	0.727	78%	0.781	S	S	*	*			trans	-64.9	144.7	166.5	0	0	0	0	0	109.8	S65	A63-S65 PolarHBondContact O-N 3.22Å
64	P	39.9	Very low	42.2	Very low	125 Å²	125	131 Å²	131	81%	0.812	78%	0.777	S	S	*	*			trans	-73.2	115.4	178.1	27.6	-29	0	0	0	109.6	T66	P64-T66 PolarHBondContact O-N 3.41Å
65	S	36	Very low	45	Very low	110 Å²	110	122.3 Å²	122.3	77%	0.769	76%	0.755	S	S	*	*			trans	-72.3	113.2	164.6	-154.1	0	0	0	0	107.5	A63 T67	A63-S65 PolarHBondContact O-N 3.22Å; S65-T67 PolarHBondContact O-N 2.98Å
66	T	39.4	Very low	48	Very low	140 Å²	140	119.3 Å²	119.3	86%	0.859	73%	0.725	S	S	*	*			trans	-66.3	98.2	171.2	24.8	0	0	0	0	108.9	P64 L68	P64-T66 PolarHBondContact O-N 3.41Å; T66-L68 PolarHBondContact O-N 2.75Å
67	T	37	Very low	50.9	Low	132 Å²	132	117.8 Å²	117.8	81%	0.81	71%	0.712	S	S	*	*			trans	-69.1	107.8	164.9	37.9	0	0	0	0	108.6	S65 G69	S65-T67 PolarHBondContact O-N 2.98Å; T67-G69 PolarHBondContact O-N 3.41Å
68	L	43.5	Very low	53.9	Low	177 Å²	177	115.3 Å²	115.3	93%	0.927	69%	0.691	S	S	*	*			trans	-61.1	102.3	166.4	-157.9	80.1	0	0	0	107.3	T66	T66-L68 PolarHBondContact O-N 2.75Å
69	G	37.4	Very low	56.7	Low	63 Å²	63	110.7 Å²	110.7	65%	0.649	67%	0.667	S	S	*	*			trans	-64.7	133.5	179.2	0	0	0	0	0	110.7	T67	T67-G69 PolarHBondContact O-N 3.41Å
70	S	51.2	Low	59.6	Low	99 Å²	99	104.6 Å²	104.6	69%	0.692	63%	0.628	S	S	*	*			trans	-41.4	140.2	153.3	178.2	0	0	0	0	108.7	S72	S70-S72 WeakPolarHBondContact O-CA 3.36Å; S70-S72 PolarHBondContact O-N 2.95Å
71	P	46.6	Very low	62.7	Low	111 Å²	111	104.8 Å²	104.8	72%	0.721	61%	0.609	S	S	*	*	S	Bend	trans	-49.7	110.1	179.4	20.1	-30.5	0	0	0	107.7
72	S	58.5	Low	65.4	Low	74 Å²	74	99.4 Å²	99.4	52%	0.517	58%	0.58	S	S	.	*			trans	-70	141.6	-164.6	59.4	0	0	0	0	108.3	S70 Q74 G75	S70-S72 WeakPolarHBondContact O-CA 3.36Å; S70-S72 PolarHBondContact O-N 2.95Å; S72-Q74 PolarHBondContact O-N 2.79Å; S72-G75 WeakPolarHBondContact O-CA 2.99Å; S72-G75 PolarHBondContact O-N 3.02Å
73	T	63.9	Low	68.5	Low	105 Å²	105	89 Å²	89	64%	0.644	54%	0.539	S	S	*	.	H	α-helix	trans	-49.1	-31.1	177.6	-44.3	0	0	0	0	112.4	G75 L76 R77 E377	T73-G75 VanDerWaalsContact C-N 3.31Å; T73-G75 PolarHBondContact O-N 3.2Å; T73-L76 PolarHBondContact O-N 3Å; T73-R77 PolarHBondContact O-N 2.84Å; T73-E377 WeakPolarHBondContact CG2-OE1 3.33Å
74	Q	71.3	Confident	71.3	Confident	166 Å²	166	84.9 Å²	84.9	78%	0.776	51%	0.505	S	S	*	.	H	α-helix	trans	-64.2	-31.4	174.6	-167.9	167.5	2.4	0	0	113.7	S72 E78	S72-Q74 PolarHBondContact O-N 2.79Å; Q74-E78 PolarHBondContact O-N 3.43Å
75	G	92.6	Very high	74.1	Confident	37 Å²	37	85 Å²	85	38%	0.381	49%	0.489	S	S	.	.	H	α-helix	trans	-69	-45.2	174.7	0	0	0	0	0	112.8	S72 T73 R77 E78 Q79	S72-G75 WeakPolarHBondContact O-CA 2.99Å; S72-G75 PolarHBondContact O-N 3.02Å; T73-G75 VanDerWaalsContact C-N 3.31Å; T73-G75 PolarHBondContact O-N 3.2Å; G75-R77 PolarHBondContact O-N 3.24Å; G75-E78 PolarHBondContact O-N 3.39Å; G75-Q79 WeakPolarHBondContact O-CB 3.5Å; G75-Q79 PolarHBondContact O-N 3.14Å
76	L	95.3	Very high	77	Confident	40 Å²	40	85.6 Å²	85.6	21%	0.209	48%	0.484	C	S	.	.	H	α-helix	trans	-64.8	-39.6	178.7	-71.5	177.6	0	0	0	112.1	T73 E78 Q79 A80 E377 L380	T73-L76 PolarHBondContact O-N 3Å; L76-E78 PolarHBondContact O-N 3.3Å; L76-Q79 WeakPolarHBondContact O-CB 3.42Å; L76-Q79 PolarHBondContact O-N 3.22Å; L76-A80 WeakPolarHBondContact O-CB 3.34Å; L76-A80 PolarHBondContact O-N 3.36Å; L76-E377 HydrophobicContact CB-CG 4.06Å; L76-L380 HydrophobicContact CD2-CB 4.2Å
77	R	95.8	Very high	79.9	Confident	129 Å²	129	81.9 Å²	81.9	49%	0.487	46%	0.456	S	S	.	.	H	α-helix	trans	-61.7	-43.8	176.4	-170.3	173.5	-166.5	-171.1	4.5	112.7	T73 G75 R81 E377	T73-R77 PolarHBondContact O-N 2.84Å; G75-R77 PolarHBondContact O-N 3.24Å; R77-R81 WeakPolarHBondContact O-CG 3.37Å; R77-R81 PolarHBondContact O-N 2.92Å; R77-R81 VanDerWaalsContact O-N 3.11Å; R77-E377 WeakPolarHBondContact CB-OE2 3.48Å; R77-E377 WeakPolarHBondContact CG-OE2 3.43Å
78	E	97.3	Very high	82.8	Confident	97 Å²	97	77.3 Å²	77.3	45%	0.453	43%	0.428	S	S	.	.	H	α-helix	trans	-69.2	-38.1	176.9	-174.1	55.9	-145.7	0	0	111.2	Q74 G75 L76 R81 A82 R85	Q74-E78 PolarHBondContact O-N 3.43Å; G75-E78 PolarHBondContact O-N 3.39Å; L76-E78 PolarHBondContact O-N 3.3Å; E78-R81 PolarHBondContact O-N 3.23Å; E78-A82 WeakPolarHBondContact O-CB 3.5Å; E78-A82 PolarHBondContact O-N 3.05Å; E78-R85 IonicContact OE1-CZ 2.79Å; E78-R85 IonicContact OE1-NH1 3.8Å; E78-R85 IonicContact OE1-NH2 2.91Å; E78-R85 PolarHBondContact OE1-NH2 2.92Å
79	Q	98.1	Very high	85.4	Confident	72 Å²	72	68.9 Å²	68.9	34%	0.336	38%	0.384	S	S	.	.	H	α-helix	trans	-60.3	-46.4	174.2	-172.5	178.9	4.6	0	0	111.6	G75 L76 R81 A82 L83 L380 E386	G75-Q79 WeakPolarHBondContact O-CB 3.5Å; G75-Q79 PolarHBondContact O-N 3.14Å; L76-Q79 WeakPolarHBondContact O-CB 3.42Å; L76-Q79 PolarHBondContact O-N 3.22Å; Q79-R81 PolarHBondContact O-N 3.09Å; Q79-A82 PolarHBondContact O-N 2.97Å; Q79-L83 WeakPolarHBondContact O-CB 3.16Å; Q79-L83 PolarHBondContact O-N 2.78Å; Q79-L380 HydrophobicContact CB-CD1 4.26Å; Q79-L380 HydrophobicContact CG-CD1 4.04Å; Q79-E386 PolarHBondContact NE2-OE1 3.44Å
80	A	98.5	Very high	88.3	Confident	0 Å²	0	66 Å²	66	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-57.7	-47.3	175	0	0	0	0	0	111.6	L76 L83 M84 I376 E377 L380	L76-A80 WeakPolarHBondContact O-CB 3.34Å; L76-A80 PolarHBondContact O-N 3.36Å; A80-L83 PolarHBondContact O-N 3.19Å; A80-M84 WeakPolarHBondContact O-CB 3.44Å; A80-M84 VanDerWaalsContact O-CG 3.29Å; A80-M84 WeakPolarHBondContact O-CG 3.22Å; A80-M84 PolarHBondContact O-N 3.1Å; A80-I376 HydrophobicContact CB-CB 4.07Å; A80-I376 HydrophobicContact CB-CG2 3.84Å; A80-E377 HydrophobicContact CB-CB 4.11Å; A80-L380 HydrophobicContact CB-CD1 3.93Å
81	R	98.7	Very high	90.6	Very high	65 Å²	65	61.2 Å²	61.2	25%	0.245	32%	0.321	C	S	.	.	H	α-helix	trans	-66.1	-39.1	178	-74.2	-173.2	170.4	-79.1	-0.3	112.7	R77 E78 Q79 M84 R85 D128 L130 P373	R77-R81 WeakPolarHBondContact O-CG 3.37Å; R77-R81 PolarHBondContact O-N 2.92Å; R77-R81 VanDerWaalsContact O-N 3.11Å; E78-R81 PolarHBondContact O-N 3.23Å; Q79-R81 PolarHBondContact O-N 3.09Å; R81-M84 PolarHBondContact O-N 3Å; R81-R85 WeakPolarHBondContact O-CG 3.23Å; R81-R85 PolarHBondContact O-N 3.45Å; R81-D128 PolarHBondContact NH1-O 3.47Å; R81-D128 VanDerWaalsContact NH1-O 3.17Å; R81-L130 HydrophobicContact CB-CD1 4.1Å; R81-L130 HydrophobicContact CG-CD1 4.12Å; R81-P373 HydrophobicContact CG-CB 4.18Å
82	A	98.6	Very high	93.1	Very high	34 Å²	34	56 Å²	56	28%	0.281	29%	0.286	S	S	.	.	H	α-helix	trans	-62	-49.1	175.9	0	0	0	0	0	110.8	E78 Q79 M84 R85 D86	E78-A82 WeakPolarHBondContact O-CB 3.5Å; E78-A82 PolarHBondContact O-N 3.05Å; Q79-A82 PolarHBondContact O-N 2.97Å; A82-M84 VanDerWaalsContact C-N 3.33Å; A82-M84 PolarHBondContact O-N 3.43Å; A82-R85 WeakPolarHBondContact O-CB 3.47Å; A82-R85 PolarHBondContact O-N 3.46Å; A82-R85 VanDerWaalsContact O-N 3.09Å; A82-D86 PolarHBondContact O-N 3.29Å
83	L	98.7	Very high	95	Very high	5 Å²	5	52.4 Å²	52.4	3%	0.026	26%	0.262	C	S	.	.	H	α-helix	trans	-56.5	-45.9	176.4	-176.9	65.4	0	0	0	112.1	Q79 A80 R85 D86 F87 I376 E386 L389 Q390 L393	Q79-L83 WeakPolarHBondContact O-CB 3.16Å; Q79-L83 PolarHBondContact O-N 2.78Å; A80-L83 PolarHBondContact O-N 3.19Å; L83-R85 VanDerWaalsContact C-N 3.32Å; L83-R85 PolarHBondContact O-N 2.8Å; L83-D86 PolarHBondContact O-N 3.24Å; L83-F87 HydrophobicContact CD1-CD2 3.93Å; L83-F87 HydrophobicContact CD1-CE2 4.36Å; L83-F87 PolarHBondContact O-N 3.13Å; L83-I376 HydrophobicContact CD2-CG2 4.32Å; L83-E386 HydrophobicContact CD1-CB 4.07Å; L83-E386 HydrophobicContact CD1-CG 4.35Å; L83-E386 HydrophobicContact CD2-CG 4.45Å; L83-L389 HydrophobicContact CD2-CB 3.57Å; L83-L389 HydrophobicContact CD2-CD1 4.08Å; L83-L389 HydrophobicContact CD2-CG 4.5Å; L83-Q390 HydrophobicContact CD1-CG 3.86Å; L83-L393 HydrophobicContact CD2-CD1 4.08Å; L83-L393 HydrophobicContact CG-CD1 3.93Å
84	M	98.8	Very high	96.7	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.005	23%	0.231	C	C	.	.	H	α-helix	trans	-71.2	-22.2	179.2	-69.5	-179.9	83.6	0	0	113.8	A80 R81 A82 F87 P88 L89 G129 L130 P373 I376 L393	A80-M84 WeakPolarHBondContact O-CB 3.44Å; A80-M84 VanDerWaalsContact O-CG 3.29Å; A80-M84 WeakPolarHBondContact O-CG 3.22Å; A80-M84 PolarHBondContact O-N 3.1Å; R81-M84 PolarHBondContact O-N 3Å; A82-M84 VanDerWaalsContact C-N 3.33Å; A82-M84 PolarHBondContact O-N 3.43Å; M84-F87 CarbonylContact O-C 3.35Å; M84-F87 VanDerWaalsContact O-C 3.31Å; M84-P88 WeakPolarHBondContact O-CA 3.49Å; M84-P88 VanDerWaalsContact O-N 3.09Å; M84-L89 HydrophobicContact CE-CB 4.11Å; M84-G129 VanDerWaalsContact CE-O 3.26Å; M84-G129 WeakPolarHBondContact CE-O 3.36Å; M84-L130 HydrophobicContact CB-CB 3.83Å; M84-L130 HydrophobicContact CB-CD1 3.56Å; M84-L130 HydrophobicContact CB-CG 4.34Å; M84-L130 HydrophobicContact CE-CB 4Å; M84-L130 HydrophobicContact SD-CB 4.44Å; M84-L130 HydrophobicContact SD-CD1 4.34Å; M84-P373 HydrophobicContact CE-CG 4.35Å; M84-P373 HydrophobicContact SD-CB 4.01Å; M84-P373 HydrophobicContact SD-CG 3.83Å; M84-I376 HydrophobicContact CE-CG1 4.28Å; M84-I376 HydrophobicContact CG-CG1 4.12Å; M84-I376 HydrophobicContact CG-CG2 4.49Å; M84-I376 HydrophobicContact SD-CB 4.17Å; M84-I376 HydrophobicContact SD-CG1 3.63Å; M84-L393 HydrophobicContact CE-CD2 4.07Å; M84-L393 HydrophobicContact CG-CD1 4.01Å; M84-L393 HydrophobicContact CG-CD2 3.84Å
85	R	98.4	Very high	98	Very high	128 Å²	128	39.8 Å²	39.8	48%	0.483	20%	0.196	S	C	.	.	H	α-helix	trans	-71	-39.2	171.6	-77.7	-177.5	-65	-118.2	1	111.3	E78 R81 A82 L83 L130	E78-R85 IonicContact OE1-CZ 2.79Å; E78-R85 IonicContact OE1-NH1 3.8Å; E78-R85 IonicContact OE1-NH2 2.91Å; E78-R85 PolarHBondContact OE1-NH2 2.92Å; R81-R85 WeakPolarHBondContact O-CG 3.23Å; R81-R85 PolarHBondContact O-N 3.45Å; A82-R85 WeakPolarHBondContact O-CB 3.47Å; A82-R85 PolarHBondContact O-N 3.46Å; A82-R85 VanDerWaalsContact O-N 3.09Å; L83-R85 VanDerWaalsContact C-N 3.32Å; L83-R85 PolarHBondContact O-N 2.8Å; R85-L130 HydrophobicContact CG-CD1 4.4Å; R85-L130 HydrophobicContact CG-CD2 4.15Å
86	D	98.1	Very high	98.2	Very high	123 Å²	123	38.1 Å²	38.1	66%	0.658	18%	0.178	S	C	*	.	H	α-helix	trans	-77.7	-32.6	178	-65	-16.2	0	0	0	111.6	A82 L83 P88	A82-D86 PolarHBondContact O-N 3.29Å; L83-D86 PolarHBondContact O-N 3.24Å; D86-P88 VanDerWaalsContact C-CD 3.5Å
87	F	98.6	Very high	98.3	Very high	62 Å²	62	36.2 Å²	36.2	27%	0.272	17%	0.168	S	C	.	.	S	Bend	trans	-128.3	73.7	179.1	-56.7	-91.2	0	0	0	111.2	L83 M84 L89 Q390 L393 R394	L83-F87 HydrophobicContact CD1-CD2 3.93Å; L83-F87 HydrophobicContact CD1-CE2 4.36Å; L83-F87 PolarHBondContact O-N 3.13Å; M84-F87 CarbonylContact O-C 3.35Å; M84-F87 VanDerWaalsContact O-C 3.31Å; F87-L89 PolarHBondContact O-N 2.8Å; F87-Q390 HydrophobicContact CD1-CB 4.07Å; F87-Q390 HydrophobicContact CD1-CG 3.89Å; F87-Q390 HydrophobicContact CD2-CG 3.57Å; F87-Q390 HydrophobicContact CE1-CB 4.24Å; F87-Q390 HydrophobicContact CE1-CG 3.88Å; F87-Q390 VanDerWaalsContact CE2-CD 3.47Å; F87-Q390 HydrophobicContact CE2-CG 3.57Å; F87-Q390 HydrophobicContact CG-CB 4.22Å; F87-Q390 HydrophobicContact CG-CG 3.73Å; F87-Q390 HydrophobicContact CZ-CG 3.72Å; F87-L393 HydrophobicContact CB-CD1 4.21Å; F87-R394 HydrophobicContact CB-CG 4.29Å; F87-R394 HydrophobicContact CD1-CG 4.49Å
88	P	98.5	Very high	98.2	Very high	35 Å²	35	31.2 Å²	31.2	23%	0.227	15%	0.151	C	C	.	.			trans	-54.1	139.6	179	-29.5	36.2	0	0	0	112.6	M84 D86	M84-P88 WeakPolarHBondContact O-CA 3.49Å; M84-P88 VanDerWaalsContact O-N 3.09Å; D86-P88 VanDerWaalsContact C-CD 3.5Å
89	L	98.9	Very high	98.1	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	139.8	-175	176.6	69.1	0	0	0	112	M84 F87 L130 V131 G132 A133 I352 Y372 L393	M84-L89 HydrophobicContact CE-CB 4.11Å; F87-L89 PolarHBondContact O-N 2.8Å; L89-L130 PolarHBondContact N-O 3.45Å; L89-V131 HydrophobicContact CD2-CG2 4.34Å; L89-G132 PolarHBondContact O-N 2.7Å; L89-A133 PolarHBondContact O-N 2.95Å; L89-I352 HydrophobicContact CD1-CB 4Å; L89-I352 HydrophobicContact CD1-CD1 3.67Å; L89-I352 HydrophobicContact CD1-CG1 3.96Å; L89-Y372 HydrophobicContact CD2-CD1 3.36Å; L89-Y372 HydrophobicContact CD2-CD2 3.63Å; L89-Y372 HydrophobicContact CD2-CE1 3.62Å; L89-Y372 HydrophobicContact CD2-CE2 3.87Å; L89-Y372 HydrophobicContact CD2-CG 3.36Å; L89-L393 CarbonylContact C-O 3.54Å; L89-L393 WeakPolarHBondContact CA-O 3.5Å; L89-L393 HydrophobicContact CB-CD2 4.12Å; L89-L393 HydrophobicContact CD1-CD2 3.81Å
90	V	98.9	Very high	97.8	Very high	2 Å²	2	24.1 Å²	24.1	1%	0.012	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	108.6	164.5	-177	0	0	0	0	108.4	A133 F135 L179 L393 R394 L397	V90-A133 WeakPolarHBondContact CA-O 3.45Å; V90-A133 HydrophobicContact CB-CB 4.33Å; V90-A133 HydrophobicContact CG1-CB 4.07Å; V90-A133 HydrophobicContact CG2-CB 4Å; V90-F135 HydrophobicContact CG1-CE2 4.35Å; V90-L179 HydrophobicContact CG1-CD1 4.24Å; V90-L179 HydrophobicContact CG2-CD2 3.81Å; V90-L393 PolarHBondContact N-O 3.18Å; V90-R394 HydrophobicContact CB-CB 4.49Å; V90-R394 HydrophobicContact CG2-CB 3.58Å; V90-L397 HydrophobicContact CG1-CB 4.44Å; V90-L397 HydrophobicContact CG1-CD1 3.86Å; V90-L397 HydrophobicContact CG1-CG 3.94Å
91	D	98.9	Very high	97.4	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	133.7	176.5	-172.7	-83.1	0	0	0	111.9	H93 A133 Q134 F135 I352 G354 Y372	D91-H93 PolarHBondContact OD1-N 2.91Å; D91-H93 VanDerWaalsContact OD1-O 3.05Å; D91-A133 PolarHBondContact N-O 2.87Å; D91-Q134 PolarHBondContact O-NE2 2.99Å; D91-Q134 PolarHBondContact OD1-NE2 3.44Å; D91-F135 PolarHBondContact O-N 2.9Å; D91-I352 WeakPolarHBondContact CA-O 3.47Å; D91-G354 PolarHBondContact OD1-N 2.92Å; D91-G354 WeakPolarHBondContact OD2-CA 3.13Å; D91-G354 PolarHBondContact OD2-N 3.33Å; D91-Y372 PolarHBondContact OD2-OH 3.48Å
92	G	98.8	Very high	96.9	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	-18.6	-172.5	0	0	0	0	0	116.3	F135 Y214 M315 I352	G92-F135 VanDerWaalsContact O-CB 3.29Å; G92-F135 WeakPolarHBondContact O-CB 3.26Å; G92-Y214 WeakPolarHBondContact O-CE1 3.38Å; G92-Y214 PolarHBondContact O-OH 3Å; G92-Y214 VanDerWaalsContact O-OH 3.13Å; G92-M315 VanDerWaalsContact N-CE 3.34Å; G92-I352 PolarHBondContact N-O 2.63Å
93	H	98.9	Very high	96.1	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	121.5	-172.7	-155.5	91.4	0	0	0	113.4	D91 D95 S137 E192 Y214 H286 D355	D91-H93 PolarHBondContact OD1-N 2.91Å; D91-H93 VanDerWaalsContact OD1-O 3.05Å; H93-D95 IonicContact CD2-OD2 2.73Å; H93-D95 IonicContact NE2-OD2 3.14Å; H93-D95 PolarHBondContact NE2-OD2 3.49Å; H93-S137 PolarHBondContact CE1-OG 3.36Å; H93-S137 VanDerWaalsContact CE1-OG 3.28Å; H93-S137 WeakPolarHBondContact NE2-CB 3.39Å; H93-S137 PolarHBondContact NE2-OG 2.97Å; H93-E192 IonicContact CE1-OE1 3.19Å; H93-E192 IonicContact CE1-OE2 3.33Å; H93-E192 IonicContact NE2-OE1 3.02Å; H93-E192 IonicContact NE2-OE2 2.78Å; H93-E192 PolarHBondContact NE2-OE2 3.35Å; H93-Y214 AromaticContact ND1-CZ 3.98Å; H93-Y214 PolarHBondContact ND1-OH 3.14Å; H93-H286 HydrophobicContact CB-CB 3.8Å; H93-H286 AromaticContact CD2-CE1 3.94Å; H93-H286 AromaticContact CD2-ND1 3.73Å; H93-H286 AromaticContact CE1-CE1 3.52Å; H93-H286 AromaticContact CE1-ND1 3.69Å; H93-H286 AromaticContact CG-CE1 3.79Å; H93-H286 AromaticContact CG-CG 3.73Å; H93-H286 AromaticContact CG-ND1 3.22Å; H93-H286 AromaticContact ND1-CE1 3.52Å; H93-H286 AromaticContact ND1-ND1 3.2Å; H93-H286 PolarHBondContact ND1-ND1 3.47Å; H93-H286 VanDerWaalsContact ND1-ND1 3.2Å; H93-H286 AromaticContact NE2-CE1 3.82Å; H93-D355 IonicContact CD2-OD1 3.7Å; H93-D355 WeakPolarHBondContact O-CA 3.24Å; H93-D355 PolarHBondContact O-N 3.35Å
94	N	98.8	Very high	94.9	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	131.6	174.9	-175.6	-57.5	0	0	0	111.3	L96 T121 Q134 F135 W136 S137	N94-L96 VanDerWaalsContact OD1-CB 3.31Å; N94-L96 WeakPolarHBondContact OD1-CB 3.29Å; N94-L96 PolarHBondContact OD1-N 3.11Å; N94-T121 PolarHBondContact ND2-OG1 3.3Å; N94-T121 PolarHBondContact OD1-OG1 2.85Å; N94-Q134 HydrophobicContact CB-CG 4Å; N94-F135 PolarHBondContact N-O 3.14Å; N94-W136 HydrophobicContact CB-CE3 4.11Å; N94-W136 HydrophobicContact CB-CZ3 4.17Å; N94-W136 WeakPolarHBondContact OD1-CZ3 3.48Å; N94-S137 WeakPolarHBondContact O-CB 3.17Å; N94-S137 PolarHBondContact O-N 2.78Å
95	D	98.3	Very high	93.4	Very high	6 Å²	6	43.2 Å²	43.2	3%	0.032	20%	0.203	C	C	.	.			trans	-99.5	17.7	-171.8	-84.6	-61	0	0	0	114.6	H93 L98 V99 S137 Y356 D357 G358	H93-D95 IonicContact CD2-OD2 2.73Å; H93-D95 IonicContact NE2-OD2 3.14Å; H93-D95 PolarHBondContact NE2-OD2 3.49Å; D95-L98 HydrophobicContact CB-CB 4.36Å; D95-L98 WeakPolarHBondContact O-CA 3.5Å; D95-L98 VanDerWaalsContact O-CB 3.31Å; D95-L98 WeakPolarHBondContact O-CB 3.33Å; D95-L98 PolarHBondContact O-N 3.49Å; D95-V99 PolarHBondContact O-N 3.32Å; D95-S137 VanDerWaalsContact OD1-CB 3.28Å; D95-S137 WeakPolarHBondContact OD1-CB 3.36Å; D95-S137 PolarHBondContact OD1-OG 3.47Å; D95-Y356 PolarHBondContact N-O 3.3Å; D95-D357 VanDerWaalsContact CB-C 3.48Å; D95-D357 HydrophobicContact CB-CB 4.14Å; D95-G358 VanDerWaalsContact OD2-CA 3.22Å; D95-G358 WeakPolarHBondContact OD2-CA 3.4Å
96	L	97.7	Very high	91.2	Very high	1 Å²	1	46 Å²	46	1%	0.005	22%	0.219	C	C	.	.	H	α-helix	trans	-46.2	-39.8	171.6	178.9	63	0	0	0	112.8	N94 L98 V99 L100 F116 T121 W136 M163	N94-L96 VanDerWaalsContact OD1-CB 3.31Å; N94-L96 WeakPolarHBondContact OD1-CB 3.29Å; N94-L96 PolarHBondContact OD1-N 3.11Å; L96-L98 VanDerWaalsContact C-N 3.27Å; L96-L98 PolarHBondContact O-N 2.86Å; L96-V99 PolarHBondContact O-N 3.39Å; L96-V99 VanDerWaalsContact O-N 3.15Å; L96-L100 HydrophobicContact CD1-CD1 4.41Å; L96-L100 HydrophobicContact CD1-CD2 4.28Å; L96-L100 HydrophobicContact CD1-CG 4.02Å; L96-L100 HydrophobicContact CG-CD1 4.03Å; L96-L100 HydrophobicContact CG-CG 4.11Å; L96-L100 VanDerWaalsContact O-CG 3.32Å; L96-L100 WeakPolarHBondContact O-CG 3.35Å; L96-L100 PolarHBondContact O-N 2.98Å; L96-F116 HydrophobicContact CD1-CD1 3.78Å; L96-F116 HydrophobicContact CD1-CE1 3.66Å; L96-T121 HydrophobicContact CB-CG2 4.5Å; L96-T121 HydrophobicContact CD2-CG2 3.9Å; L96-W136 HydrophobicContact CB-CE3 4.1Å; L96-W136 HydrophobicContact CB-CZ3 3.59Å; L96-W136 HydrophobicContact CD2-CH2 3.86Å; L96-W136 HydrophobicContact CD2-CZ3 3.72Å; L96-W136 HydrophobicContact CG-CZ3 4.27Å; L96-M163 HydrophobicContact CD2-SD 4.29Å
97	P	97	Very high	89.3	Confident	1 Å²	1	41.3 Å²	41.3	1%	0.006	20%	0.199	C	C	.	.	H	α-helix	trans	-58.6	-33.7	175.5	-25.4	36.5	0	0	0	114.2	R101 W136 S137 Q156 L159 I160	P97-R101 WeakPolarHBondContact O-CB 3.45Å; P97-R101 PolarHBondContact O-N 3.16Å; P97-R101 VanDerWaalsContact O-N 3.14Å; P97-W136 HydrophobicContact CG-CB 4.05Å; P97-W136 HydrophobicContact CG-CE3 4.49Å; P97-S137 WeakPolarHBondContact CB-O 3.48Å; P97-S137 WeakPolarHBondContact CG-O 3.36Å; P97-Q156 VanDerWaalsContact C-NE2 3.33Å; P97-Q156 PolarHBondContact O-NE2 2.91Å; P97-Q156 VanDerWaalsContact O-NE2 3.11Å; P97-L159 HydrophobicContact CB-CD2 4.29Å; P97-L159 WeakPolarHBondContact O-CD2 3.44Å; P97-I160 HydrophobicContact CB-CD1 4.26Å; P97-I160 HydrophobicContact CB-CG1 3.95Å; P97-I160 HydrophobicContact CG-CD1 3.88Å; P97-I160 HydrophobicContact CG-CG1 3.54Å
98	L	94.8	Very high	87.8	Confident	24 Å²	24	39.1 Å²	39.1	13%	0.126	19%	0.191	C	C	.	.	H	α-helix	trans	-67	-47.5	174.1	177.8	65.9	0	0	0	110.6	D95 L96 L100 R101 Q102 Y139	D95-L98 HydrophobicContact CB-CB 4.36Å; D95-L98 WeakPolarHBondContact O-CA 3.5Å; D95-L98 VanDerWaalsContact O-CB 3.31Å; D95-L98 WeakPolarHBondContact O-CB 3.33Å; D95-L98 PolarHBondContact O-N 3.49Å; L96-L98 VanDerWaalsContact C-N 3.27Å; L96-L98 PolarHBondContact O-N 2.86Å; L98-L100 VanDerWaalsContact C-N 3.33Å; L98-L100 PolarHBondContact O-N 2.75Å; L98-R101 WeakPolarHBondContact O-CB 3.16Å; L98-R101 PolarHBondContact O-N 3.21Å; L98-Q102 HydrophobicContact CD1-CG 4.49Å; L98-Q102 WeakPolarHBondContact O-CG 3.26Å; L98-Q102 PolarHBondContact O-N 3.19Å; L98-Y139 HydrophobicContact CD1-CD1 3.93Å; L98-Y139 HydrophobicContact CD1-CE1 4.2Å; L98-Y139 HydrophobicContact CD2-CD1 3.74Å; L98-Y139 HydrophobicContact CD2-CE1 3.86Å; L98-Y139 HydrophobicContact CG-CD1 4.26Å
99	V	94.3	Very high	86.3	Confident	15 Å²	15	43.2 Å²	43.2	9%	0.091	22%	0.217	C	C	.	.	H	α-helix	trans	-60.4	-44.2	178.8	174	0	0	0	0	110.8	D95 L96 R101 Q102 V103 F116 D357	D95-V99 PolarHBondContact O-N 3.32Å; L96-V99 PolarHBondContact O-N 3.39Å; L96-V99 VanDerWaalsContact O-N 3.15Å; V99-R101 VanDerWaalsContact C-N 3.31Å; V99-R101 PolarHBondContact O-N 3.5Å; V99-Q102 PolarHBondContact O-N 2.95Å; V99-V103 HydrophobicContact CG1-CG2 4.17Å; V99-V103 WeakPolarHBondContact O-CG2 3.32Å; V99-V103 PolarHBondContact O-N 2.87Å; V99-F116 HydrophobicContact CG1-CE1 3.84Å; V99-F116 HydrophobicContact CG1-CZ 3.77Å; V99-D357 HydrophobicContact CG2-CB 3.7Å
100	L	92.8	Very high	85.1	Confident	4 Å²	4	48.6 Å²	48.6	2%	0.021	25%	0.246	C	C	.	.	H	α-helix	trans	-60.7	-40	176.6	-67.8	177.6	0	0	0	112.1	L96 L98 Y104 L108 V111 L113 F116 L159 M163	L96-L100 HydrophobicContact CD1-CD1 4.41Å; L96-L100 HydrophobicContact CD1-CD2 4.28Å; L96-L100 HydrophobicContact CD1-CG 4.02Å; L96-L100 HydrophobicContact CG-CD1 4.03Å; L96-L100 HydrophobicContact CG-CG 4.11Å; L96-L100 VanDerWaalsContact O-CG 3.32Å; L96-L100 WeakPolarHBondContact O-CG 3.35Å; L96-L100 PolarHBondContact O-N 2.98Å; L98-L100 VanDerWaalsContact C-N 3.33Å; L98-L100 PolarHBondContact O-N 2.75Å; L100-Y104 HydrophobicContact CD2-CD2 4.25Å; L100-Y104 WeakPolarHBondContact O-CA 3.3Å; L100-Y104 WeakPolarHBondContact O-CB 3.39Å; L100-Y104 PolarHBondContact O-N 2.93Å; L100-L108 HydrophobicContact CD1-CD2 4.11Å; L100-V111 HydrophobicContact CD2-CG1 4.11Å; L100-L113 HydrophobicContact CD1-CD1 4.42Å; L100-L113 HydrophobicContact CD1-CD2 3.95Å; L100-L113 HydrophobicContact CD2-CD2 3.61Å; L100-L113 HydrophobicContact CG-CD2 4.37Å; L100-F116 HydrophobicContact CD2-CZ 4.31Å; L100-L159 HydrophobicContact CB-CD2 4.09Å; L100-M163 HydrophobicContact CD1-SD 4.27Å
101	R	89.7	Confident	84.4	Confident	84 Å²	84	48.9 Å²	48.9	32%	0.317	25%	0.248	S	C	.	.	H	α-helix	trans	-63.6	-41.7	175.4	-170.4	-170.3	-177.2	76.3	13.6	112.2	P97 L98 V99 E155 Q156	P97-R101 WeakPolarHBondContact O-CB 3.45Å; P97-R101 PolarHBondContact O-N 3.16Å; P97-R101 VanDerWaalsContact O-N 3.14Å; L98-R101 WeakPolarHBondContact O-CB 3.16Å; L98-R101 PolarHBondContact O-N 3.21Å; V99-R101 VanDerWaalsContact C-N 3.31Å; V99-R101 PolarHBondContact O-N 3.5Å; R101-E155 IonicContact CZ-OE2 3.47Å; R101-E155 VanDerWaalsContact CZ-OE2 3.23Å; R101-E155 IonicContact NH1-OE2 3.84Å; R101-E155 PolarHBondContact NH1-OE2 3.29Å; R101-E155 IonicContact NH2-OE2 2.89Å; R101-E155 PolarHBondContact NH2-OE2 3.22Å; R101-Q156 VanDerWaalsContact CD-OE1 3.32Å
102	Q	86.9	Confident	84	Confident	123 Å²	123	52.5 Å²	52.5	58%	0.575	27%	0.267	S	S	*	.	H	α-helix	trans	-69.4	-42.8	-178.6	-71.2	174.3	-3.8	0	0	112.1	L98 V99	L98-Q102 HydrophobicContact CD1-CG 4.49Å; L98-Q102 WeakPolarHBondContact O-CG 3.26Å; L98-Q102 PolarHBondContact O-N 3.19Å; V99-Q102 PolarHBondContact O-N 2.95Å
103	V	81.8	Confident	83.8	Confident	62 Å²	62	52.5 Å²	52.5	38%	0.376	27%	0.267	S	S	.	.	H	α-helix	trans	-85.8	-33.7	-174	-177.3	0	0	0	0	112	V99	V99-V103 HydrophobicContact CG1-CG2 4.17Å; V99-V103 WeakPolarHBondContact O-CG2 3.32Å; V99-V103 PolarHBondContact O-N 2.87Å
104	Y	74.7	Confident	83.7	Confident	56 Å²	56	56.8 Å²	56.8	22%	0.22	28%	0.283	C	S	.	.			trans	-125.5	74.3	-172	-58.9	-80.4	0	0	0	113	L100 K106 G107 V111 F116	L100-Y104 HydrophobicContact CD2-CD2 4.25Å; L100-Y104 WeakPolarHBondContact O-CA 3.3Å; L100-Y104 WeakPolarHBondContact O-CB 3.39Å; L100-Y104 PolarHBondContact O-N 2.93Å; Y104-K106 PolarHBondContact O-N 3.21Å; Y104-K106 VanDerWaalsContact O-N 3.14Å; Y104-G107 PolarHBondContact O-N 2.78Å; Y104-V111 HydrophobicContact CD1-CG2 3.42Å; Y104-V111 VanDerWaalsContact CD1-CG2 3.42Å; Y104-V111 HydrophobicContact CD2-CB 4.39Å; Y104-V111 HydrophobicContact CD2-CG1 4.25Å; Y104-V111 HydrophobicContact CD2-CG2 3.25Å; Y104-V111 HydrophobicContact CE1-CG2 3.59Å; Y104-V111 HydrophobicContact CE2-CB 4.18Å; Y104-V111 HydrophobicContact CE2-CG1 3.7Å; Y104-V111 HydrophobicContact CE2-CG2 3.38Å; Y104-V111 HydrophobicContact CG-CG2 3.23Å; Y104-F116 HydrophobicContact CE2-CD2 4.48Å; Y104-F116 AromaticContact CE2-CE2 3.68Å; Y104-F116 HydrophobicContact CE2-CE2 3.68Å; Y104-F116 HydrophobicContact CE2-CZ 4.37Å
105	Q	66.8	Low	83.5	Confident	181 Å²	181	61.7 Å²	61.7	85%	0.846	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-12.8	170.8	-61.6	-177.7	5.7	0	0	113.3
106	K	51.9	Low	83.4	Confident	187 Å²	187	61.9 Å²	61.9	81%	0.813	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-3.2	179.6	-63.4	-174.4	179.9	-179.7	0	114.3	Y104	Y104-K106 PolarHBondContact O-N 3.21Å; Y104-K106 VanDerWaalsContact O-N 3.14Å
107	G	59.2	Low	83.1	Confident	24 Å²	24	66.3 Å²	66.3	25%	0.247	34%	0.341	C	S	.	.			trans	105	173.1	174.7	0	0	0	0	0	115.2	Y104	Y104-G107 PolarHBondContact O-N 2.78Å
108	L	67.2	Low	82.8	Confident	17 Å²	17	74 Å²	74	9%	0.089	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-64.4	-28.5	-179	-72.7	178.6	0	0	0	117	L100 D110 V111 L159 R162 M163	L100-L108 HydrophobicContact CD1-CD2 4.11Å; L108-D110 PolarHBondContact O-N 2.73Å; L108-D110 VanDerWaalsContact O-N 3.07Å; L108-V111 PolarHBondContact O-N 2.76Å; L108-V111 VanDerWaalsContact O-N 3.08Å; L108-L159 HydrophobicContact CD1-CD1 3.91Å; L108-L159 HydrophobicContact CD2-CD1 3.65Å; L108-L159 HydrophobicContact CG-CD1 3.6Å; L108-R162 HydrophobicContact CD1-CB 3.79Å; L108-R162 VanDerWaalsContact CD1-NH1 3.27Å; L108-M163 HydrophobicContact CD1-CB 4.16Å
109	P	66.2	Low	82.8	Confident	121 Å²	121	73.7 Å²	73.7	79%	0.786	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-58.8	-23.4	-175.4	-27.4	35.8	0	0	0	114.9
110	D	72.9	Confident	82.9	Confident	112 Å²	112	74.6 Å²	74.6	60%	0.599	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-91	4.3	-177.8	-62.8	-30.3	0	0	0	113.2	L108	L108-D110 PolarHBondContact O-N 2.73Å; L108-D110 VanDerWaalsContact O-N 3.07Å
111	V	84.1	Confident	83.2	Confident	9 Å²	9	74.4 Å²	74.4	6%	0.055	38%	0.376	C	S	.	.			trans	-122.7	125.7	-175	-164.6	0	0	0	0	111.3	L100 Y104 L108 L113 F116 Y167	L100-V111 HydrophobicContact CD2-CG1 4.11Å; Y104-V111 HydrophobicContact CD1-CG2 3.42Å; Y104-V111 VanDerWaalsContact CD1-CG2 3.42Å; Y104-V111 HydrophobicContact CD2-CB 4.39Å; Y104-V111 HydrophobicContact CD2-CG1 4.25Å; Y104-V111 HydrophobicContact CD2-CG2 3.25Å; Y104-V111 HydrophobicContact CE1-CG2 3.59Å; Y104-V111 HydrophobicContact CE2-CB 4.18Å; Y104-V111 HydrophobicContact CE2-CG1 3.7Å; Y104-V111 HydrophobicContact CE2-CG2 3.38Å; Y104-V111 HydrophobicContact CG-CG2 3.23Å; L108-V111 PolarHBondContact O-N 2.76Å; L108-V111 VanDerWaalsContact O-N 3.08Å; V111-L113 HydrophobicContact CG1-CD2 3.79Å; V111-F116 HydrophobicContact CG1-CD2 3.95Å; V111-F116 HydrophobicContact CG1-CE2 4.33Å; V111-Y167 PolarHBondContact O-OH 3.3Å
112	N	91.1	Very high	83.6	Confident	75 Å²	75	70.7 Å²	70.7	40%	0.401	36%	0.363	S	S	.	.			trans	-94.7	103.8	166.3	-173.9	-1.6	0	0	0	110.4	R114 N115 F116	N112-R114 PolarHBondContact O-N 3.28Å; N112-R114 VanDerWaalsContact OD1-CB 3.31Å; N112-R114 WeakPolarHBondContact OD1-CB 3.47Å; N112-R114 PolarHBondContact OD1-N 3.02Å; N112-N115 WeakPolarHBondContact CB-OD1 3.43Å; N112-N115 VanDerWaalsContact CG-OD1 3.27Å; N112-N115 PolarHBondContact ND2-OD1 3.39Å; N112-N115 PolarHBondContact O-OD1 2.7Å; N112-F116 PolarHBondContact O-N 3.14Å
113	L	95.3	Very high	84.1	Confident	1 Å²	1	65.3 Å²	65.3	1%	0.005	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-69.7	-17.4	179.8	-61.4	-176.6	0	0	0	113.1	L100 V111 N115 S122 L123 M163 Y167	L100-L113 HydrophobicContact CD1-CD1 4.42Å; L100-L113 HydrophobicContact CD1-CD2 3.95Å; L100-L113 HydrophobicContact CD2-CD2 3.61Å; L100-L113 HydrophobicContact CG-CD2 4.37Å; V111-L113 HydrophobicContact CG1-CD2 3.79Å; L113-N115 VanDerWaalsContact C-N 3.33Å; L113-N115 PolarHBondContact O-N 3.17Å; L113-S122 CarbonylContact O-C 3.29Å; L113-S122 WeakPolarHBondContact O-CA 3.36Å; L113-S122 WeakPolarHBondContact O-CB 3.42Å; L113-L123 HydrophobicContact CB-CD1 4.01Å; L113-L123 HydrophobicContact CB-CG 3.94Å; L113-L123 PolarHBondContact O-N 2.84Å; L113-M163 HydrophobicContact CD1-CG 3.47Å; L113-M163 VanDerWaalsContact CD1-CG 3.47Å; L113-M163 HydrophobicContact CD1-SD 3.63Å; L113-Y167 HydrophobicContact CB-CE1 4.02Å; L113-Y167 HydrophobicContact CB-CE2 4.01Å; L113-Y167 HydrophobicContact CD1-CD2 4.08Å; L113-Y167 HydrophobicContact CD1-CE2 3.58Å; L113-Y167 HydrophobicContact CG-CE2 3.78Å; L113-Y167 PolarHBondContact N-OH 2.78Å
114	R	96.6	Very high	84.9	Confident	90 Å²	90	65.3 Å²	65.3	34%	0.34	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-63	-41.4	179.2	-63.2	-175.6	178.3	97.9	5.6	111.9	N112 L123 N124 Y167 E169	N112-R114 PolarHBondContact O-N 3.28Å; N112-R114 VanDerWaalsContact OD1-CB 3.31Å; N112-R114 WeakPolarHBondContact OD1-CB 3.47Å; N112-R114 PolarHBondContact OD1-N 3.02Å; R114-L123 HydrophobicContact CG-CB 4.44Å; R114-L123 HydrophobicContact CG-CD1 4.1Å; R114-N124 WeakPolarHBondContact O-CB 3.4Å; R114-N124 PolarHBondContact O-N 2.91Å; R114-N124 VanDerWaalsContact O-N 3.14Å; R114-N124 PolarHBondContact O-ND2 3.4Å; R114-N124 VanDerWaalsContact O-ND2 3.15Å; R114-Y167 HydrophobicContact CG-CD1 4.36Å; R114-Y167 HydrophobicContact CG-CE1 4.13Å; R114-E169 IonicContact CZ-OE1 3.52Å; R114-E169 IonicContact CZ-OE2 2.8Å; R114-E169 IonicContact NE-OE1 3.65Å; R114-E169 IonicContact NE-OE2 2.71Å; R114-E169 PolarHBondContact NE-OE2 3.44Å; R114-E169 IonicContact NH2-OE1 2.92Å; R114-E169 PolarHBondContact NH2-OE1 2.96Å; R114-E169 IonicContact NH2-OE2 3.19Å
115	N	95.4	Very high	86.1	Confident	103 Å²	103	64.8 Å²	64.8	55%	0.551	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-121.4	27	-178.2	67.5	-18.3	0	0	0	113.1	N112 L113 S117	N112-N115 WeakPolarHBondContact CB-OD1 3.43Å; N112-N115 VanDerWaalsContact CG-OD1 3.27Å; N112-N115 PolarHBondContact ND2-OD1 3.39Å; N112-N115 PolarHBondContact O-OD1 2.7Å; L113-N115 VanDerWaalsContact C-N 3.33Å; L113-N115 PolarHBondContact O-N 3.17Å; N115-S117 PolarHBondContact O-N 3.05Å
116	F	94.7	Very high	87.6	Confident	9 Å²	9	56.2 Å²	56.2	4%	0.039	29%	0.293	C	S	.	.			trans	-57.9	131.3	179.2	-176.1	-118.9	0	0	0	112	L96 V99 L100 Y104 V111 N112 Y118 T121 S122 R125	L96-F116 HydrophobicContact CD1-CD1 3.78Å; L96-F116 HydrophobicContact CD1-CE1 3.66Å; V99-F116 HydrophobicContact CG1-CE1 3.84Å; V99-F116 HydrophobicContact CG1-CZ 3.77Å; L100-F116 HydrophobicContact CD2-CZ 4.31Å; Y104-F116 HydrophobicContact CE2-CD2 4.48Å; Y104-F116 AromaticContact CE2-CE2 3.68Å; Y104-F116 HydrophobicContact CE2-CE2 3.68Å; Y104-F116 HydrophobicContact CE2-CZ 4.37Å; V111-F116 HydrophobicContact CG1-CD2 3.95Å; V111-F116 HydrophobicContact CG1-CE2 4.33Å; N112-F116 PolarHBondContact O-N 3.14Å; F116-Y118 HydrophobicContact CD2-CD2 4.19Å; F116-Y118 AromaticContact CE2-CD2 3.62Å; F116-Y118 HydrophobicContact CE2-CD2 3.62Å; F116-Y118 HydrophobicContact CE2-CG 4.12Å; F116-Y118 HydrophobicContact CZ-CD2 4.36Å; F116-Y118 HydrophobicContact CZ-CG 4.43Å; F116-T121 WeakPolarHBondContact CD1-O 3.32Å; F116-S122 WeakPolarHBondContact O-CB 3.32Å; F116-R125 PolarHBondContact O-NH2 2.86Å; F116-R125 VanDerWaalsContact O-NH2 3.12Å
117	S	92.4	Very high	89.8	Confident	94 Å²	94	54.8 Å²	54.8	66%	0.657	28%	0.283	S	S	*	.			trans	-124.5	-1.4	-169.8	64.7	0	0	0	0	114.8	N115 G119	N115-S117 PolarHBondContact O-N 3.05Å; S117-G119 VanDerWaalsContact C-N 3.29Å
118	Y	91.1	Very high	91.7	Very high	162 Å²	162	57 Å²	57	64%	0.635	29%	0.289	S	S	*	.	S	Bend	trans	-89.3	6.4	-179.7	-62.7	-91.5	0	0	0	113.4	F116	F116-Y118 HydrophobicContact CD2-CD2 4.19Å; F116-Y118 AromaticContact CE2-CD2 3.62Å; F116-Y118 HydrophobicContact CE2-CD2 3.62Å; F116-Y118 HydrophobicContact CE2-CG 4.12Å; F116-Y118 HydrophobicContact CZ-CD2 4.36Å; F116-Y118 HydrophobicContact CZ-CG 4.43Å
119	G	93	Very high	93.2	Very high	18 Å²	18	56.2 Å²	56.2	19%	0.186	29%	0.285	C	S	.	.	S	Bend	trans	-149.7	-173.3	179.3	0	0	0	0	0	111.7	S117 R125 D357	S117-G119 VanDerWaalsContact C-N 3.29Å; G119-R125 PolarHBondContact O-NH1 3.26Å; G119-R125 PolarHBondContact O-NH2 3.15Å; G119-D357 WeakPolarHBondContact CA-OD1 3.35Å
120	Q	97.4	Very high	94.8	Very high	34 Å²	34	52.1 Å²	52.1	16%	0.159	26%	0.257	C	S	.	.	S	Bend	trans	-84.2	-9.7	174.9	-63	100.6	-6.5	0	0	113.4	R125 Y356 D357 A359 F362 E367 D368 V369	Q120-R125 VanDerWaalsContact C-CZ 3.46Å; Q120-R125 VanDerWaalsContact C-NH2 3.3Å; Q120-R125 PolarHBondContact O-NH1 3.27Å; Q120-R125 PolarHBondContact O-NH2 3.48Å; Q120-Y356 HydrophobicContact CB-CD1 3.65Å; Q120-Y356 HydrophobicContact CB-CE1 4.48Å; Q120-Y356 HydrophobicContact CB-CG 4.33Å; Q120-Y356 HydrophobicContact CG-CD1 4.07Å; Q120-D357 PolarHBondContact N-OD1 2.79Å; Q120-D357 PolarHBondContact OE1-OD1 3.36Å; Q120-A359 PolarHBondContact NE2-O 3.3Å; Q120-F362 HydrophobicContact CG-CD2 4.28Å; Q120-F362 HydrophobicContact CG-CE2 4.27Å; Q120-E367 WeakPolarHBondContact CG-O 3.1Å; Q120-D368 HydrophobicContact CB-CB 4.07Å; Q120-D368 WeakPolarHBondContact O-CB 3.33Å; Q120-V369 PolarHBondContact O-N 3.03Å
121	T	98.3	Very high	96	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.231	C	C	.	.			trans	-109.5	139.2	-178.6	-50.4	0	0	0	0	112.9	N94 L96 F116 R125 L126 W136 D357 V369	N94-T121 PolarHBondContact ND2-OG1 3.3Å; N94-T121 PolarHBondContact OD1-OG1 2.85Å; L96-T121 HydrophobicContact CB-CG2 4.5Å; L96-T121 HydrophobicContact CD2-CG2 3.9Å; F116-T121 WeakPolarHBondContact CD1-O 3.32Å; T121-R125 VanDerWaalsContact C-NH2 3.33Å; T121-R125 PolarHBondContact O-NH2 2.91Å; T121-L126 HydrophobicContact CG2-CD1 3.76Å; T121-L126 HydrophobicContact CG2-CD2 4.18Å; T121-L126 HydrophobicContact CG2-CG 3.93Å; T121-W136 HydrophobicContact CG2-CH2 3.94Å; T121-W136 HydrophobicContact CG2-CZ3 4.1Å; T121-D357 WeakPolarHBondContact CB-OD2 3.39Å; T121-D357 PolarHBondContact N-OD2 3Å; T121-D357 VanDerWaalsContact N-OD2 3.11Å; T121-D357 PolarHBondContact OG1-OD2 3Å; T121-V369 HydrophobicContact CG2-CG1 4.17Å; T121-V369 HydrophobicContact CG2-CG2 4.23Å; T121-V369 WeakPolarHBondContact OG1-CG1 3.5Å
122	S	98.3	Very high	96.7	Very high	6 Å²	6	47.7 Å²	47.7	4%	0.042	24%	0.237	C	C	.	.			trans	-152.2	158.3	161.2	67.3	0	0	0	0	109	L113 F116 N124 R125 L126	L113-S122 CarbonylContact O-C 3.29Å; L113-S122 WeakPolarHBondContact O-CA 3.36Å; L113-S122 WeakPolarHBondContact O-CB 3.42Å; F116-S122 WeakPolarHBondContact O-CB 3.32Å; S122-N124 VanDerWaalsContact C-N 3.28Å; S122-N124 PolarHBondContact O-N 3.47Å; S122-R125 PolarHBondContact O-N 3.24Å; S122-R125 VanDerWaalsContact O-N 3.11Å; S122-R125 WeakPolarHBondContact OG-CB 3.27Å; S122-R125 WeakPolarHBondContact OG-CG 3.42Å; S122-R125 PolarHBondContact OG-N 2.73Å; S122-R125 PolarHBondContact OG-NE 2.88Å; S122-R125 VanDerWaalsContact OG-NE 3.11Å; S122-L126 WeakPolarHBondContact O-CG 3.46Å; S122-L126 PolarHBondContact O-N 3.17Å
123	L	98.5	Very high	97.1	Very high	10 Å²	10	44.2 Å²	44.2	5%	0.052	22%	0.218	C	C	.	.	H	α-helix	trans	-64.3	-35.1	-176.6	-51.5	178.9	0	0	0	112	L113 R114 L126 R127 Y167 E169 L170	L113-L123 HydrophobicContact CB-CD1 4.01Å; L113-L123 HydrophobicContact CB-CG 3.94Å; L113-L123 PolarHBondContact O-N 2.84Å; R114-L123 HydrophobicContact CG-CB 4.44Å; R114-L123 HydrophobicContact CG-CD1 4.1Å; L123-L126 HydrophobicContact CD2-CD1 4.2Å; L123-R127 PolarHBondContact O-N 3.22Å; L123-R127 VanDerWaalsContact O-N 3.1Å; L123-Y167 HydrophobicContact CD1-CD1 3.22Å; L123-Y167 HydrophobicContact CD1-CD2 4.39Å; L123-Y167 HydrophobicContact CD1-CE1 3.78Å; L123-Y167 HydrophobicContact CD1-CG 3.59Å; L123-E169 HydrophobicContact CB-CG 4.5Å; L123-E169 HydrophobicContact CD1-CG 3.81Å; L123-L170 HydrophobicContact CD2-CD1 4.12Å; L123-L170 HydrophobicContact CD2-CD2 3.96Å; L123-L170 HydrophobicContact CD2-CG 4.3Å
124	N	98.6	Very high	97.2	Very high	63 Å²	63	44.1 Å²	44.1	34%	0.337	22%	0.218	S	C	.	.	H	α-helix	trans	-64.3	-43.4	173.7	-69.9	-12	0	0	0	111.3	R114 S122 R127 D128	R114-N124 WeakPolarHBondContact O-CB 3.4Å; R114-N124 PolarHBondContact O-N 2.91Å; R114-N124 VanDerWaalsContact O-N 3.14Å; R114-N124 PolarHBondContact O-ND2 3.4Å; R114-N124 VanDerWaalsContact O-ND2 3.15Å; S122-N124 VanDerWaalsContact C-N 3.28Å; S122-N124 PolarHBondContact O-N 3.47Å; N124-R127 WeakPolarHBondContact O-CB 3.43Å; N124-R127 PolarHBondContact O-N 3.23Å; N124-D128 WeakPolarHBondContact O-CB 3.46Å; N124-D128 PolarHBondContact O-N 3.41Å
125	R	98.8	Very high	97.4	Very high	45 Å²	45	40 Å²	40	17%	0.17	20%	0.202	C	C	.	.	H	α-helix	trans	-67.4	-38.7	178.7	-74.3	-174	-73	179.1	-0.9	112.5	F116 G119 Q120 T121 S122 R127 D128 G129 D368 V369 S370	F116-R125 PolarHBondContact O-NH2 2.86Å; F116-R125 VanDerWaalsContact O-NH2 3.12Å; G119-R125 PolarHBondContact O-NH1 3.26Å; G119-R125 PolarHBondContact O-NH2 3.15Å; Q120-R125 VanDerWaalsContact C-CZ 3.46Å; Q120-R125 VanDerWaalsContact C-NH2 3.3Å; Q120-R125 PolarHBondContact O-NH1 3.27Å; Q120-R125 PolarHBondContact O-NH2 3.48Å; T121-R125 VanDerWaalsContact C-NH2 3.33Å; T121-R125 PolarHBondContact O-NH2 2.91Å; S122-R125 PolarHBondContact O-N 3.24Å; S122-R125 VanDerWaalsContact O-N 3.11Å; S122-R125 WeakPolarHBondContact OG-CB 3.27Å; S122-R125 WeakPolarHBondContact OG-CG 3.42Å; S122-R125 PolarHBondContact OG-N 2.73Å; S122-R125 PolarHBondContact OG-NE 2.88Å; S122-R125 VanDerWaalsContact OG-NE 3.11Å; R125-R127 VanDerWaalsContact C-N 3.31Å; R125-R127 PolarHBondContact O-N 3.43Å; R125-D128 PolarHBondContact O-N 2.77Å; R125-G129 PolarHBondContact O-N 3.01Å; R125-D368 WeakPolarHBondContact CD-OD2 3.4Å; R125-D368 IonicContact CZ-OD2 3.06Å; R125-D368 IonicContact NE-OD2 3.8Å; R125-D368 IonicContact NH1-OD2 3.53Å; R125-D368 PolarHBondContact NH1-OD2 3.24Å; R125-V369 HydrophobicContact CB-CG2 3.53Å; R125-S370 WeakPolarHBondContact O-CA 3.27Å
126	L	98.8	Very high	97.5	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-59.4	-43.4	174.1	-74.8	168.1	0	0	0	111.5	T121 S122 L123 G129 L130 V131 W136 L185 V369	T121-L126 HydrophobicContact CG2-CD1 3.76Å; T121-L126 HydrophobicContact CG2-CD2 4.18Å; T121-L126 HydrophobicContact CG2-CG 3.93Å; S122-L126 WeakPolarHBondContact O-CG 3.46Å; S122-L126 PolarHBondContact O-N 3.17Å; L123-L126 HydrophobicContact CD2-CD1 4.2Å; L126-G129 CarbonylContact O-C 3.56Å; L126-G129 PolarHBondContact O-N 3.42Å; L126-L130 PolarHBondContact O-N 3.17Å; L126-V131 HydrophobicContact CB-CB 4.39Å; L126-V131 HydrophobicContact CD2-CB 4.01Å; L126-V131 HydrophobicContact CD2-CG1 4.13Å; L126-V131 HydrophobicContact CD2-CG2 3.83Å; L126-V131 PolarHBondContact O-N 3.39Å; L126-W136 HydrophobicContact CD1-CH2 3.82Å; L126-W136 HydrophobicContact CD1-CZ2 4.16Å; L126-L185 HydrophobicContact CB-CD1 3.69Å; L126-L185 HydrophobicContact CD1-CD1 3.79Å; L126-L185 HydrophobicContact CG-CD1 4.22Å; L126-V369 HydrophobicContact CD2-CB 3.83Å; L126-V369 HydrophobicContact CD2-CG1 4.12Å; L126-V369 HydrophobicContact CD2-CG2 3.85Å; L126-V369 HydrophobicContact CG-CB 4.44Å; L126-V369 HydrophobicContact CG-CG2 3.89Å
127	R	98.6	Very high	97.7	Very high	158 Å²	158	34.6 Å²	34.6	60%	0.596	17%	0.174	S	C	*	.	H	α-helix	trans	-62.4	-46.7	174.3	-175.7	-163	67.1	-171.8	-3	111.5	L123 N124 R125 G129 L130	L123-R127 PolarHBondContact O-N 3.22Å; L123-R127 VanDerWaalsContact O-N 3.1Å; N124-R127 WeakPolarHBondContact O-CB 3.43Å; N124-R127 PolarHBondContact O-N 3.23Å; R125-R127 VanDerWaalsContact C-N 3.31Å; R125-R127 PolarHBondContact O-N 3.43Å; R127-G129 PolarHBondContact O-N 3.16Å; R127-L130 PolarHBondContact O-N 3.44Å
128	D	98.6	Very high	98	Very high	70 Å²	70	30.1 Å²	30.1	37%	0.374	14%	0.143	S	C	.	.	H	α-helix	trans	-67.5	-28	-177.2	-63.2	-10.8	0	0	0	112.2	R81 N124 R125 L130	R81-D128 PolarHBondContact NH1-O 3.47Å; R81-D128 VanDerWaalsContact NH1-O 3.17Å; N124-D128 WeakPolarHBondContact O-CB 3.46Å; N124-D128 PolarHBondContact O-N 3.41Å; R125-D128 PolarHBondContact O-N 2.77Å; D128-L130 VanDerWaalsContact C-N 3.33Å
129	G	98.8	Very high	98.4	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	2	170.8	0	0	0	0	0	115.2	M84 R125 L126 R127 V131 S370	M84-G129 VanDerWaalsContact CE-O 3.26Å; M84-G129 WeakPolarHBondContact CE-O 3.36Å; R125-G129 PolarHBondContact O-N 3.01Å; L126-G129 CarbonylContact O-C 3.56Å; L126-G129 PolarHBondContact O-N 3.42Å; R127-G129 PolarHBondContact O-N 3.16Å; G129-V131 VanDerWaalsContact C-N 3.3Å; G129-V131 PolarHBondContact O-N 2.9Å; G129-S370 WeakPolarHBondContact CA-O 3.46Å
130	L	98.8	Very high	98.6	Very high	36 Å²	36	23.4 Å²	23.4	19%	0.188	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.4	38.4	176.7	-54.2	172.9	0	0	0	113.5	R81 M84 R85 L89 L126 R127 D128 P373	R81-L130 HydrophobicContact CB-CD1 4.1Å; R81-L130 HydrophobicContact CG-CD1 4.12Å; M84-L130 HydrophobicContact CB-CB 3.83Å; M84-L130 HydrophobicContact CB-CD1 3.56Å; M84-L130 HydrophobicContact CB-CG 4.34Å; M84-L130 HydrophobicContact CE-CB 4Å; M84-L130 HydrophobicContact SD-CB 4.44Å; M84-L130 HydrophobicContact SD-CD1 4.34Å; R85-L130 HydrophobicContact CG-CD1 4.4Å; R85-L130 HydrophobicContact CG-CD2 4.15Å; L89-L130 PolarHBondContact N-O 3.45Å; L126-L130 PolarHBondContact O-N 3.17Å; R127-L130 PolarHBondContact O-N 3.44Å; D128-L130 VanDerWaalsContact C-N 3.33Å; L130-P373 HydrophobicContact CD1-CG 4.39Å
131	V	98.9	Very high	98.6	Very high	11 Å²	11	24 Å²	24	7%	0.067	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	123.4	173.9	-173.5	0	0	0	0	110.1	L89 L126 G129 A133 Y372	L89-V131 HydrophobicContact CD2-CG2 4.34Å; L126-V131 HydrophobicContact CB-CB 4.39Å; L126-V131 HydrophobicContact CD2-CB 4.01Å; L126-V131 HydrophobicContact CD2-CG1 4.13Å; L126-V131 HydrophobicContact CD2-CG2 3.83Å; L126-V131 PolarHBondContact O-N 3.39Å; G129-V131 VanDerWaalsContact C-N 3.3Å; G129-V131 PolarHBondContact O-N 2.9Å; V131-A133 WeakPolarHBondContact CG1-O 3.42Å; V131-Y372 HydrophobicContact CG2-CD2 3.59Å; V131-Y372 HydrophobicContact CG2-CE2 3.5Å; V131-Y372 VanDerWaalsContact CG2-CE2 3.5Å
132	G	98.8	Very high	98.5	Very high	17 Å²	17	24 Å²	24	18%	0.175	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	-26.4	177	0	0	0	0	0	114.1	L89 L185 A186	L89-G132 PolarHBondContact O-N 2.7Å; G132-L185 WeakPolarHBondContact O-CA 3.45Å; G132-A186 PolarHBondContact O-N 3.37Å
133	A	98.9	Very high	98.4	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.008	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	148.3	174.6	0	0	0	0	0	111.6	L89 V90 D91 V131 L179 A186 L188	L89-A133 PolarHBondContact O-N 2.95Å; V90-A133 WeakPolarHBondContact CA-O 3.45Å; V90-A133 HydrophobicContact CB-CB 4.33Å; V90-A133 HydrophobicContact CG1-CB 4.07Å; V90-A133 HydrophobicContact CG2-CB 4Å; D91-A133 PolarHBondContact N-O 2.87Å; V131-A133 WeakPolarHBondContact CG1-O 3.42Å; A133-L179 HydrophobicContact CB-CD1 4.19Å; A133-L179 HydrophobicContact CB-CD2 4.18Å; A133-L179 HydrophobicContact CB-CG 4.02Å; A133-A186 CarbonylContact C-O 3.58Å; A133-A186 VanDerWaalsContact CA-O 3.28Å; A133-A186 WeakPolarHBondContact CA-O 3.33Å; A133-A186 HydrophobicContact CB-CB 3.62Å; A133-L188 HydrophobicContact CB-CD1 4.27Å
134	Q	98.9	Very high	98.3	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	127	179.7	-176.2	64.8	73.2	0	0	109.6	D91 N94 W136 L185 A186 L188	D91-Q134 PolarHBondContact O-NE2 2.99Å; D91-Q134 PolarHBondContact OD1-NE2 3.44Å; N94-Q134 HydrophobicContact CB-CG 4Å; Q134-W136 HydrophobicContact CB-CD2 4.37Å; Q134-W136 HydrophobicContact CB-CZ2 4.05Å; Q134-W136 HydrophobicContact CG-CD2 3.64Å; Q134-W136 HydrophobicContact CG-CE3 3.78Å; Q134-W136 HydrophobicContact CG-CG 4.27Å; Q134-W136 HydrophobicContact CG-CH2 3.98Å; Q134-W136 HydrophobicContact CG-CZ2 3.8Å; Q134-W136 HydrophobicContact CG-CZ3 3.94Å; Q134-L185 HydrophobicContact CB-CD2 4.13Å; Q134-A186 PolarHBondContact N-O 3Å; Q134-L188 PolarHBondContact O-N 3.44Å
135	F	98.9	Very high	98.2	Very high	2 Å²	2	26 Å²	26	1%	0.009	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	115.5	158	-76.9	-95.8	0	0	0	109.2	V90 D91 G92 N94 L188 R213 Y214 M260 L397	V90-F135 HydrophobicContact CG1-CE2 4.35Å; D91-F135 PolarHBondContact O-N 2.9Å; G92-F135 VanDerWaalsContact O-CB 3.29Å; G92-F135 WeakPolarHBondContact O-CB 3.26Å; N94-F135 PolarHBondContact N-O 3.14Å; F135-L188 HydrophobicContact CD1-CB 3.5Å; F135-L188 VanDerWaalsContact CD1-CB 3.5Å; F135-L188 HydrophobicContact CD2-CB 4.29Å; F135-L188 HydrophobicContact CD2-CD1 4.46Å; F135-L188 HydrophobicContact CE1-CB 3.52Å; F135-L188 HydrophobicContact CE1-CD2 3.86Å; F135-L188 HydrophobicContact CE1-CG 4.22Å; F135-L188 HydrophobicContact CE2-CB 4.29Å; F135-L188 HydrophobicContact CE2-CD1 4.22Å; F135-L188 HydrophobicContact CE2-CD2 4.19Å; F135-L188 HydrophobicContact CE2-CG 4.46Å; F135-L188 HydrophobicContact CG-CB 3.91Å; F135-L188 HydrophobicContact CZ-CB 3.93Å; F135-L188 HydrophobicContact CZ-CD1 4.4Å; F135-L188 HydrophobicContact CZ-CD2 3.58Å; F135-L188 HydrophobicContact CZ-CG 4.16Å; F135-R213 HydrophobicContact CE1-CB 4.19Å; F135-Y214 HydrophobicContact CB-CE1 3.65Å; F135-Y214 AromaticContact CD1-CD1 3.39Å; F135-Y214 HydrophobicContact CD1-CD1 3.39Å; F135-Y214 AromaticContact CD1-CE1 3.37Å; F135-Y214 HydrophobicContact CD1-CE1 3.37Å; F135-Y214 AromaticContact CE1-CD1 3.75Å; F135-Y214 HydrophobicContact CE1-CD1 3.75Å; F135-Y214 HydrophobicContact CE1-CE1 4.19Å; F135-Y214 HydrophobicContact CG-CD1 4.09Å; F135-Y214 AromaticContact CG-CE1 3.67Å; F135-Y214 HydrophobicContact CG-CE1 3.67Å; F135-M260 HydrophobicContact CE1-CE 3.84Å; F135-M260 HydrophobicContact CZ-CE 3.64Å; F135-L397 HydrophobicContact CE2-CD1 4.19Å; F135-L397 HydrophobicContact CE2-CG 4.46Å
136	W	98.9	Very high	97.9	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	128.2	175.6	-60.2	106.9	0	0	0	109.8	N94 L96 P97 T121 L126 Q134 A138 I160 M163 C187 L188 G190	N94-W136 HydrophobicContact CB-CE3 4.11Å; N94-W136 HydrophobicContact CB-CZ3 4.17Å; N94-W136 WeakPolarHBondContact OD1-CZ3 3.48Å; L96-W136 HydrophobicContact CB-CE3 4.1Å; L96-W136 HydrophobicContact CB-CZ3 3.59Å; L96-W136 HydrophobicContact CD2-CH2 3.86Å; L96-W136 HydrophobicContact CD2-CZ3 3.72Å; L96-W136 HydrophobicContact CG-CZ3 4.27Å; P97-W136 HydrophobicContact CG-CB 4.05Å; P97-W136 HydrophobicContact CG-CE3 4.49Å; T121-W136 HydrophobicContact CG2-CH2 3.94Å; T121-W136 HydrophobicContact CG2-CZ3 4.1Å; L126-W136 HydrophobicContact CD1-CH2 3.82Å; L126-W136 HydrophobicContact CD1-CZ2 4.16Å; Q134-W136 HydrophobicContact CB-CD2 4.37Å; Q134-W136 HydrophobicContact CB-CZ2 4.05Å; Q134-W136 HydrophobicContact CG-CD2 3.64Å; Q134-W136 HydrophobicContact CG-CE3 3.78Å; Q134-W136 HydrophobicContact CG-CG 4.27Å; Q134-W136 HydrophobicContact CG-CH2 3.98Å; Q134-W136 HydrophobicContact CG-CZ2 3.8Å; Q134-W136 HydrophobicContact CG-CZ3 3.94Å; W136-A138 PolarHBondContact O-N 2.84Å; W136-I160 HydrophobicContact CB-CD1 3.85Å; W136-I160 HydrophobicContact CB-CG1 3.98Å; W136-I160 HydrophobicContact CB-CG2 3.88Å; W136-I160 HydrophobicContact CG-CG2 4.11Å; W136-M163 HydrophobicContact CD2-CE 3.64Å; W136-M163 HydrophobicContact CE3-CE 4.23Å; W136-M163 HydrophobicContact CG-CE 3.87Å; W136-M163 HydrophobicContact CH2-CE 4.45Å; W136-M163 HydrophobicContact CZ2-CE 3.95Å; W136-C187 PolarHBondContact NE1-SG 3.18Å; W136-C187 VanDerWaalsContact NE1-SG 3.35Å; W136-L188 PolarHBondContact N-O 2.87Å; W136-G190 PolarHBondContact O-N 3.17Å; W136-G190 VanDerWaalsContact O-N 3.08Å
137	S	98.8	Very high	97.7	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	118.7	-179.3	-173.1	0	0	0	0	111	H93 N94 D95 P97 Y139 E192	H93-S137 PolarHBondContact CE1-OG 3.36Å; H93-S137 VanDerWaalsContact CE1-OG 3.28Å; H93-S137 WeakPolarHBondContact NE2-CB 3.39Å; H93-S137 PolarHBondContact NE2-OG 2.97Å; N94-S137 WeakPolarHBondContact O-CB 3.17Å; N94-S137 PolarHBondContact O-N 2.78Å; D95-S137 VanDerWaalsContact OD1-CB 3.28Å; D95-S137 WeakPolarHBondContact OD1-CB 3.36Å; D95-S137 PolarHBondContact OD1-OG 3.47Å; P97-S137 WeakPolarHBondContact CB-O 3.48Å; P97-S137 WeakPolarHBondContact CG-O 3.36Å; S137-Y139 PolarHBondContact O-N 3.4Å; S137-Y139 WeakPolarHBondContact OG-CB 3.42Å; S137-E192 PolarHBondContact OG-OE2 2.87Å
138	A	98.8	Very high	97.6	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.139	C	C	.	.			trans	-88.4	56.4	166.7	0	0	0	0	0	109.9	W136 Q156 I157 I160 I189 G190 V191	W136-A138 PolarHBondContact O-N 2.84Å; A138-Q156 HydrophobicContact CB-CB 3.98Å; A138-I157 HydrophobicContact CB-CG1 3.95Å; A138-I160 HydrophobicContact CB-CD1 3.95Å; A138-I189 HydrophobicContact CB-CG2 4.09Å; A138-G190 WeakPolarHBondContact CB-O 3.3Å; A138-G190 PolarHBondContact N-O 3.02Å; A138-V191 HydrophobicContact CB-CG2 4.13Å
139	Y	98.5	Very high	97.5	Very high	35 Å²	35	25 Å²	25	14%	0.137	12%	0.122	C	C	.	.			trans	-76.1	144.7	-179	167.9	-110.6	0	0	0	113.2	L98 S137 P141 E192 H219	L98-Y139 HydrophobicContact CD1-CD1 3.93Å; L98-Y139 HydrophobicContact CD1-CE1 4.2Å; L98-Y139 HydrophobicContact CD2-CD1 3.74Å; L98-Y139 HydrophobicContact CD2-CE1 3.86Å; L98-Y139 HydrophobicContact CG-CD1 4.26Å; S137-Y139 PolarHBondContact O-N 3.4Å; S137-Y139 WeakPolarHBondContact OG-CB 3.42Å; Y139-P141 HydrophobicContact CE1-CG 4.39Å; Y139-P141 WeakPolarHBondContact OH-CA 3.37Å; Y139-E192 WeakPolarHBondContact CB-OE2 3.29Å; Y139-E192 HydrophobicContact CD2-CB 4.24Å; Y139-E192 HydrophobicContact CD2-CG 4.38Å; Y139-E192 WeakPolarHBondContact CD2-OE2 3.48Å; Y139-H219 HydrophobicContact CE2-CB 4.46Å; Y139-H219 AromaticContact CE2-CD2 3.77Å; Y139-H219 AromaticContact CE2-CE1 3.47Å; Y139-H219 VanDerWaalsContact CE2-CE1 3.47Å; Y139-H219 WeakPolarHBondContact CE2-CE1 3.41Å; Y139-H219 AromaticContact CE2-CG 3.63Å; Y139-H219 AromaticContact CE2-ND1 3.44Å; Y139-H219 WeakPolarHBondContact CE2-ND1 3.46Å; Y139-H219 AromaticContact CE2-NE2 3.73Å; Y139-H219 AromaticContact CZ-CE1 3.65Å; Y139-H219 AromaticContact CZ-ND1 3.95Å; Y139-H219 PolarHBondContact OH-CE1 3.35Å; Y139-H219 VanDerWaalsContact OH-CE1 3.25Å
140	V	97.8	Very high	97.5	Very high	3 Å²	3	27.7 Å²	27.7	2%	0.018	14%	0.136	C	C	.	.			trans	-135	141.3	167.8	-59.3	0	0	0	0	111.2	A149 L152 Q156 H195	V140-A149 HydrophobicContact CG2-CB 4.29Å; V140-L152 HydrophobicContact CB-CB 4.26Å; V140-L152 HydrophobicContact CG1-CB 3.57Å; V140-Q156 HydrophobicContact CG1-CG 4.21Å; V140-H195 PolarHBondContact O-NE2 2.62Å
141	P	97.3	Very high	97.4	Very high	47 Å²	47	31.8 Å²	31.8	31%	0.305	15%	0.149	S	C	.	.			trans	-58.6	143.9	-177	-25.5	34.2	0	0	0	114.4	Y139 Q143 T144	Y139-P141 HydrophobicContact CE1-CG 4.39Å; Y139-P141 WeakPolarHBondContact OH-CA 3.37Å; P141-Q143 VanDerWaalsContact CB-OE1 3.27Å; P141-Q143 PolarHBondContact O-N 2.83Å; P141-T144 HydrophobicContact CB-CG2 4.44Å; P141-T144 VanDerWaalsContact O-CB 3.31Å; P141-T144 WeakPolarHBondContact O-CB 3.43Å; P141-T144 VanDerWaalsContact O-CG2 3.27Å; P141-T144 WeakPolarHBondContact O-CG2 3.37Å; P141-T144 PolarHBondContact O-N 3.23Å; P141-T144 PolarHBondContact O-OG1 3.2Å
142	C	97.2	Very high	97.4	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-54.3	-27.4	179	-84.1	0	0	0	0	114.4	T144 Q145 T220 C221 F236	C142-T144 PolarHBondContact O-N 3.46Å; C142-T144 VanDerWaalsContact O-N 3.14Å; C142-Q145 VanDerWaalsContact O-CB 3.24Å; C142-Q145 WeakPolarHBondContact O-CB 3.47Å; C142-Q145 PolarHBondContact O-N 3.17Å; C142-Q145 VanDerWaalsContact O-N 3.11Å; C142-T220 PolarHBondContact SG-OG1 2.96Å; C142-C221 HydrophobicContact CB-CB 3.65Å; C142-C221 WeakPolarHBondContact CB-SG 3.49Å; C142-C221 WeakPolarHBondContact SG-CB 3.46Å; C142-C221 PolarHBondContact SG-N 2.99Å; C142-C221 CovalentContact SG-SG 2.04Å; C142-C221 PolarHBondContact SG-SG 3.46Å; C142-F236 VanDerWaalsContact O-CE2 3.23Å; C142-F236 WeakPolarHBondContact O-CE2 3.48Å
143	Q	96	Very high	97.4	Very high	103 Å²	103	31.2 Å²	31.2	48%	0.481	14%	0.141	S	C	.	.	G	3₁₀ helix	trans	-65.9	-12.4	177.6	-61.9	81.6	-1.9	0	0	113.6	P141	P141-Q143 VanDerWaalsContact CB-OE1 3.27Å; P141-Q143 PolarHBondContact O-N 2.83Å
144	T	96.1	Very high	97.3	Very high	12 Å²	12	34.2 Å²	34.2	7%	0.074	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-86.6	-12.7	177.2	70.1	0	0	0	0	112.3	P141 C142 D146 R147 D148 A149 L152	P141-T144 HydrophobicContact CB-CG2 4.44Å; P141-T144 VanDerWaalsContact O-CB 3.31Å; P141-T144 WeakPolarHBondContact O-CB 3.43Å; P141-T144 VanDerWaalsContact O-CG2 3.27Å; P141-T144 WeakPolarHBondContact O-CG2 3.37Å; P141-T144 PolarHBondContact O-N 3.23Å; P141-T144 PolarHBondContact O-OG1 3.2Å; C142-T144 PolarHBondContact O-N 3.46Å; C142-T144 VanDerWaalsContact O-N 3.14Å; T144-D146 PolarHBondContact O-N 3.41Å; T144-R147 CarbonylContact O-C 3.59Å; T144-R147 WeakPolarHBondContact O-CA 3.38Å; T144-R147 WeakPolarHBondContact O-CB 3.24Å; T144-R147 PolarHBondContact O-N 2.99Å; T144-D148 WeakPolarHBondContact CB-OD1 3.32Å; T144-D148 PolarHBondContact O-N 3.28Å; T144-A149 WeakPolarHBondContact O-CB 3.29Å; T144-A149 PolarHBondContact O-N 3.46Å; T144-A149 VanDerWaalsContact O-N 3.08Å; T144-A149 WeakPolarHBondContact OG1-CA 3.34Å; T144-A149 WeakPolarHBondContact OG1-CB 3.45Å; T144-L152 HydrophobicContact CG2-CD1 3.31Å
145	Q	95.8	Very high	97.3	Very high	5 Å²	5	37.4 Å²	37.4	2%	0.023	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	137	175.3	179.2	161.3	-138.6	0	0	110.3	C142 R147 H195 N222 F236 Y237	C142-Q145 VanDerWaalsContact O-CB 3.24Å; C142-Q145 WeakPolarHBondContact O-CB 3.47Å; C142-Q145 PolarHBondContact O-N 3.17Å; C142-Q145 VanDerWaalsContact O-N 3.11Å; Q145-R147 PolarHBondContact O-N 2.95Å; Q145-H195 HydrophobicContact CB-CB 3.8Å; Q145-H195 HydrophobicContact CG-CB 3.75Å; Q145-N222 PolarHBondContact NE2-O 3.39Å; Q145-N222 PolarHBondContact OE1-O 3.4Å; Q145-F236 HydrophobicContact CB-CE1 4.33Å; Q145-F236 HydrophobicContact CB-CZ 4.39Å; Q145-F236 HydrophobicContact CG-CD1 4.41Å; Q145-Y237 HydrophobicContact CG-CE2 4.28Å
146	D	93.1	Very high	97.2	Very high	17 Å²	17	37.3 Å²	37.3	9%	0.091	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.7	18.7	-174.5	-57.1	-50	0	0	0	115.3	T144 Y237 S428 C430 R431	T144-D146 PolarHBondContact O-N 3.41Å; D146-Y237 PolarHBondContact OD1-OH 3.22Å; D146-Y237 VanDerWaalsContact OD1-OH 3.09Å; D146-Y237 WeakPolarHBondContact OD2-CE2 3.45Å; D146-Y237 VanDerWaalsContact OD2-CZ 3.29Å; D146-Y237 PolarHBondContact OD2-OH 2.93Å; D146-S428 PolarHBondContact O-OG 3.47Å; D146-C430 WeakPolarHBondContact O-CB 3.42Å; D146-R431 IonicContact OD1-CZ 3.66Å; D146-R431 IonicContact OD1-NE 3.72Å; D146-R431 IonicContact OD1-NH2 3.5Å; D146-R431 PolarHBondContact OD1-NH2 2.89Å
147	R	94.4	Very high	97.2	Very high	181 Å²	181	37.4 Å²	37.4	68%	0.683	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-131.4	-98.1	178.1	-61.8	177.6	177.8	-179.6	-2.1	110.2	T144 Q145	T144-R147 CarbonylContact O-C 3.59Å; T144-R147 WeakPolarHBondContact O-CA 3.38Å; T144-R147 WeakPolarHBondContact O-CB 3.24Å; T144-R147 PolarHBondContact O-N 2.99Å; Q145-R147 PolarHBondContact O-N 2.95Å
148	D	95.6	Very high	97.2	Very high	52 Å²	52	41 Å²	41	28%	0.278	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.5	14.9	-171	61.8	-19.5	0	0	0	113.5	T144 L150 R151 L152	T144-D148 WeakPolarHBondContact CB-OD1 3.32Å; T144-D148 PolarHBondContact O-N 3.28Å; D148-L150 VanDerWaalsContact C-N 3.29Å; D148-L150 PolarHBondContact O-N 3.16Å; D148-R151 PolarHBondContact O-N 2.77Å; D148-R151 VanDerWaalsContact O-N 3.14Å; D148-R151 IonicContact OD2-CZ 3.79Å; D148-R151 IonicContact OD2-NH2 3.16Å; D148-R151 PolarHBondContact OD2-NH2 3.08Å; D148-L152 HydrophobicContact CB-CD1 4.49Å; D148-L152 WeakPolarHBondContact O-CG 3.41Å; D148-L152 PolarHBondContact O-N 3.45Å
149	A	97.6	Very high	97.1	Very high	2 Å²	2	41.8 Å²	41.8	2%	0.017	20%	0.195	C	C	.	.	H	α-helix	trans	-48.7	-46.5	177	0	0	0	0	0	112.9	V140 T144 L152 T153	V140-A149 HydrophobicContact CG2-CB 4.29Å; T144-A149 WeakPolarHBondContact O-CB 3.29Å; T144-A149 PolarHBondContact O-N 3.46Å; T144-A149 VanDerWaalsContact O-N 3.08Å; T144-A149 WeakPolarHBondContact OG1-CA 3.34Å; T144-A149 WeakPolarHBondContact OG1-CB 3.45Å; A149-L152 PolarHBondContact O-N 2.96Å; A149-T153 WeakPolarHBondContact O-CB 3.49Å; A149-T153 PolarHBondContact O-N 2.93Å; A149-T153 PolarHBondContact O-OG1 3.26Å
150	L	97.8	Very high	97	Very high	58 Å²	58	40.1 Å²	40.1	30%	0.304	19%	0.189	S	C	.	.	H	α-helix	trans	-59.2	-52.8	178.4	173.3	60.1	0	0	0	112	D148 L152 T153 L154 I203 F207	D148-L150 VanDerWaalsContact C-N 3.29Å; D148-L150 PolarHBondContact O-N 3.16Å; L150-L152 VanDerWaalsContact C-N 3.33Å; L150-L152 PolarHBondContact O-N 2.93Å; L150-T153 PolarHBondContact O-N 3.2Å; L150-L154 HydrophobicContact CD1-CD1 4.16Å; L150-L154 HydrophobicContact CD1-CG 4.23Å; L150-L154 HydrophobicContact CG-CD1 4.28Å; L150-L154 WeakPolarHBondContact O-CG 3.49Å; L150-L154 PolarHBondContact O-N 2.94Å; L150-I203 HydrophobicContact CD1-CD1 4.03Å; L150-I203 HydrophobicContact CD1-CG1 4.26Å; L150-I203 HydrophobicContact CD1-CG2 3.61Å; L150-I203 HydrophobicContact CD2-CD1 3.63Å; L150-I203 HydrophobicContact CD2-CG1 4.35Å; L150-I203 HydrophobicContact CG-CD1 4.34Å; L150-F207 HydrophobicContact CD1-CE1 3.87Å; L150-F207 HydrophobicContact CD1-CZ 3.86Å
151	R	97.8	Very high	97.1	Very high	121 Å²	121	44.8 Å²	44.8	46%	0.457	21%	0.206	S	C	.	.	H	α-helix	trans	-58.3	-48.1	-179.2	177.2	-175.8	62	81.6	-1.9	110.6	D148 T153 L154 E155	D148-R151 PolarHBondContact O-N 2.77Å; D148-R151 VanDerWaalsContact O-N 3.14Å; D148-R151 IonicContact OD2-CZ 3.79Å; D148-R151 IonicContact OD2-NH2 3.16Å; D148-R151 PolarHBondContact OD2-NH2 3.08Å; R151-T153 VanDerWaalsContact C-N 3.32Å; R151-T153 PolarHBondContact O-N 3.37Å; R151-L154 PolarHBondContact O-N 3.23Å; R151-E155 IonicContact CZ-OE1 2.71Å; R151-E155 IonicContact NH1-OE1 3.62Å; R151-E155 PolarHBondContact NH1-OE1 2.88Å; R151-E155 IonicContact NH1-OE2 3.9Å; R151-E155 WeakPolarHBondContact O-CG 3.5Å; R151-E155 PolarHBondContact O-N 3.36Å
152	L	97.6	Very high	97	Very high	16 Å²	16	47 Å²	47	8%	0.084	21%	0.208	C	C	.	.	H	α-helix	trans	-64.3	-38	-179.7	-65.2	174.2	0	0	0	111.6	V140 T144 D148 A149 L150 E155 Q156	V140-L152 HydrophobicContact CB-CB 4.26Å; V140-L152 HydrophobicContact CG1-CB 3.57Å; T144-L152 HydrophobicContact CG2-CD1 3.31Å; D148-L152 HydrophobicContact CB-CD1 4.49Å; D148-L152 WeakPolarHBondContact O-CG 3.41Å; D148-L152 PolarHBondContact O-N 3.45Å; A149-L152 PolarHBondContact O-N 2.96Å; L150-L152 VanDerWaalsContact C-N 3.33Å; L150-L152 PolarHBondContact O-N 2.93Å; L152-E155 WeakPolarHBondContact O-CB 3.41Å; L152-E155 PolarHBondContact O-N 3.01Å; L152-Q156 WeakPolarHBondContact O-CG 3.24Å; L152-Q156 PolarHBondContact O-N 3.08Å
153	T	98.6	Very high	97	Very high	0 Å²	0	47 Å²	47	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-65.1	-42.3	176.8	-55.8	0	0	0	0	110.8	A149 L150 R151 E155 Q156 I157 V191 S196 F207	A149-T153 WeakPolarHBondContact O-CB 3.49Å; A149-T153 PolarHBondContact O-N 2.93Å; A149-T153 PolarHBondContact O-OG1 3.26Å; L150-T153 PolarHBondContact O-N 3.2Å; R151-T153 VanDerWaalsContact C-N 3.32Å; R151-T153 PolarHBondContact O-N 3.37Å; T153-E155 VanDerWaalsContact C-N 3.32Å; T153-E155 PolarHBondContact O-N 3.07Å; T153-Q156 PolarHBondContact O-N 3.3Å; T153-I157 HydrophobicContact CG2-CD1 4.02Å; T153-I157 HydrophobicContact CG2-CG1 4.47Å; T153-I157 WeakPolarHBondContact O-CG1 3.49Å; T153-I157 PolarHBondContact O-N 2.85Å; T153-V191 HydrophobicContact CG2-CG1 3.94Å; T153-V191 HydrophobicContact CG2-CG2 4.02Å; T153-S196 VanDerWaalsContact OG1-CB 3.25Å; T153-S196 WeakPolarHBondContact OG1-CB 3.45Å; T153-S196 PolarHBondContact OG1-OG 2.9Å; T153-F207 HydrophobicContact CG2-CE1 4.06Å; T153-F207 HydrophobicContact CG2-CE2 3.88Å; T153-F207 HydrophobicContact CG2-CZ 3.52Å
154	L	98.7	Very high	97	Very high	65 Å²	65	42.4 Å²	42.4	34%	0.34	19%	0.187	S	C	.	.	H	α-helix	trans	-61.3	-40.2	174.6	-68.4	172.8	0	0	0	112	L150 R151 I157 D158 F207 L210	L150-L154 HydrophobicContact CD1-CD1 4.16Å; L150-L154 HydrophobicContact CD1-CG 4.23Å; L150-L154 HydrophobicContact CG-CD1 4.28Å; L150-L154 WeakPolarHBondContact O-CG 3.49Å; L150-L154 PolarHBondContact O-N 2.94Å; R151-L154 PolarHBondContact O-N 3.23Å; L154-I157 PolarHBondContact O-N 3.17Å; L154-D158 WeakPolarHBondContact O-CB 3.25Å; L154-D158 PolarHBondContact O-N 3.23Å; L154-F207 HydrophobicContact CD2-CD1 4.31Å; L154-F207 HydrophobicContact CD2-CE1 3.9Å; L154-F207 HydrophobicContact CG-CE1 4.38Å; L154-L210 HydrophobicContact CD2-CD1 3.46Å; L154-L210 VanDerWaalsContact CD2-CD1 3.46Å
155	E	97.3	Very high	97.1	Very high	66 Å²	66	46 Å²	46	31%	0.308	22%	0.218	S	C	.	.	H	α-helix	trans	-64.1	-38.1	174.6	-70.7	170.3	-166.3	0	0	112.4	R101 R151 L152 T153 L159	R101-E155 IonicContact CZ-OE2 3.47Å; R101-E155 VanDerWaalsContact CZ-OE2 3.23Å; R101-E155 IonicContact NH1-OE2 3.84Å; R101-E155 PolarHBondContact NH1-OE2 3.29Å; R101-E155 IonicContact NH2-OE2 2.89Å; R101-E155 PolarHBondContact NH2-OE2 3.22Å; R151-E155 IonicContact CZ-OE1 2.71Å; R151-E155 IonicContact NH1-OE1 3.62Å; R151-E155 PolarHBondContact NH1-OE1 2.88Å; R151-E155 IonicContact NH1-OE2 3.9Å; R151-E155 WeakPolarHBondContact O-CG 3.5Å; R151-E155 PolarHBondContact O-N 3.36Å; L152-E155 WeakPolarHBondContact O-CB 3.41Å; L152-E155 PolarHBondContact O-N 3.01Å; T153-E155 VanDerWaalsContact C-N 3.32Å; T153-E155 PolarHBondContact O-N 3.07Å; E155-L159 WeakPolarHBondContact O-CB 3.44Å; E155-L159 PolarHBondContact O-N 3.16Å
156	Q	98	Very high	97.1	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-68.9	-42.9	175.5	-67.2	-60.7	94.4	0	0	112	P97 R101 A138 V140 L152 T153 D158 L159 I160	P97-Q156 VanDerWaalsContact C-NE2 3.33Å; P97-Q156 PolarHBondContact O-NE2 2.91Å; P97-Q156 VanDerWaalsContact O-NE2 3.11Å; R101-Q156 VanDerWaalsContact CD-OE1 3.32Å; A138-Q156 HydrophobicContact CB-CB 3.98Å; V140-Q156 HydrophobicContact CG1-CG 4.21Å; L152-Q156 WeakPolarHBondContact O-CG 3.24Å; L152-Q156 PolarHBondContact O-N 3.08Å; T153-Q156 PolarHBondContact O-N 3.3Å; Q156-D158 VanDerWaalsContact C-N 3.34Å; Q156-D158 PolarHBondContact O-N 3.2Å; Q156-L159 WeakPolarHBondContact O-CB 3.43Å; Q156-L159 PolarHBondContact O-N 3.4Å; Q156-I160 WeakPolarHBondContact O-CG1 3.4Å; Q156-I160 PolarHBondContact O-N 2.88Å
157	I	98.7	Very high	97.3	Very high	2 Å²	2	49.9 Å²	49.9	1%	0.01	24%	0.244	C	C	.	.	H	α-helix	trans	-59.4	-47.2	174	-68.9	168.2	0	0	0	109.9	A138 T153 L154 L159 I160 R161 I189 V191 F207 L210 V212	A138-I157 HydrophobicContact CB-CG1 3.95Å; T153-I157 HydrophobicContact CG2-CD1 4.02Å; T153-I157 HydrophobicContact CG2-CG1 4.47Å; T153-I157 WeakPolarHBondContact O-CG1 3.49Å; T153-I157 PolarHBondContact O-N 2.85Å; L154-I157 PolarHBondContact O-N 3.17Å; I157-L159 PolarHBondContact O-N 3.08Å; I157-I160 PolarHBondContact O-N 3.47Å; I157-R161 HydrophobicContact CG2-CG 4.49Å; I157-R161 VanDerWaalsContact O-CG 3.27Å; I157-R161 WeakPolarHBondContact O-CG 3.49Å; I157-R161 PolarHBondContact O-N 3.01Å; I157-I189 HydrophobicContact CG1-CG2 4.26Å; I157-I189 HydrophobicContact CG2-CD1 4.14Å; I157-V191 HydrophobicContact CD1-CG2 4.2Å; I157-F207 HydrophobicContact CD1-CD1 3.78Å; I157-F207 HydrophobicContact CD1-CE1 4.09Å; I157-F207 HydrophobicContact CD1-CG 4.24Å; I157-L210 HydrophobicContact CG2-CB 3.95Å; I157-V212 HydrophobicContact CD1-CG2 3.73Å; I157-V212 HydrophobicContact CG1-CG2 4.18Å
158	D	97.8	Very high	97.4	Very high	75 Å²	75	45.4 Å²	45.4	40%	0.401	24%	0.241	S	C	.	.	H	α-helix	trans	-59.1	-44.2	175.4	170	71.6	0	0	0	112.1	L154 Q156 I160 R161 R162	L154-D158 WeakPolarHBondContact O-CB 3.25Å; L154-D158 PolarHBondContact O-N 3.23Å; Q156-D158 VanDerWaalsContact C-N 3.34Å; Q156-D158 PolarHBondContact O-N 3.2Å; D158-I160 PolarHBondContact O-N 3.47Å; D158-R161 PolarHBondContact O-N 3.37Å; D158-R162 PolarHBondContact O-N 2.62Å; D158-R162 IonicContact OD1-NE 3.35Å; D158-R162 IonicContact OD2-CZ 3.79Å; D158-R162 IonicContact OD2-NE 3.81Å; D158-R162 PolarHBondContact OD2-NE 3.12Å; D158-R162 IonicContact OD2-NH2 3.58Å; D158-R162 PolarHBondContact OD2-NH2 2.99Å
159	L	96.6	Very high	97.5	Very high	16 Å²	16	45.7 Å²	45.7	8%	0.084	24%	0.24	C	C	.	.	H	α-helix	trans	-56.7	-48.6	176.6	-179.6	65.4	0	0	0	111.8	P97 L100 L108 E155 Q156 I157 R162 M163	P97-L159 HydrophobicContact CB-CD2 4.29Å; P97-L159 WeakPolarHBondContact O-CD2 3.44Å; L100-L159 HydrophobicContact CB-CD2 4.09Å; L108-L159 HydrophobicContact CD1-CD1 3.91Å; L108-L159 HydrophobicContact CD2-CD1 3.65Å; L108-L159 HydrophobicContact CG-CD1 3.6Å; E155-L159 WeakPolarHBondContact O-CB 3.44Å; E155-L159 PolarHBondContact O-N 3.16Å; Q156-L159 WeakPolarHBondContact O-CB 3.43Å; Q156-L159 PolarHBondContact O-N 3.4Å; I157-L159 PolarHBondContact O-N 3.08Å; L159-R162 PolarHBondContact O-N 3.07Å; L159-M163 VanDerWaalsContact O-CB 3.29Å; L159-M163 WeakPolarHBondContact O-CB 3.37Å; L159-M163 PolarHBondContact O-N 2.99Å
160	I	98.2	Very high	97.6	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-62.7	-44.6	178.7	-64.1	160.2	0	0	0	110.4	P97 W136 A138 Q156 I157 D158 R162 M163 C164 I189	P97-I160 HydrophobicContact CB-CD1 4.26Å; P97-I160 HydrophobicContact CB-CG1 3.95Å; P97-I160 HydrophobicContact CG-CD1 3.88Å; P97-I160 HydrophobicContact CG-CG1 3.54Å; W136-I160 HydrophobicContact CB-CD1 3.85Å; W136-I160 HydrophobicContact CB-CG1 3.98Å; W136-I160 HydrophobicContact CB-CG2 3.88Å; W136-I160 HydrophobicContact CG-CG2 4.11Å; A138-I160 HydrophobicContact CB-CD1 3.95Å; Q156-I160 WeakPolarHBondContact O-CG1 3.4Å; Q156-I160 PolarHBondContact O-N 2.88Å; I157-I160 PolarHBondContact O-N 3.47Å; D158-I160 PolarHBondContact O-N 3.47Å; I160-R162 PolarHBondContact O-N 2.95Å; I160-M163 HydrophobicContact CG2-CE 4.28Å; I160-M163 WeakPolarHBondContact O-CB 3.44Å; I160-M163 PolarHBondContact O-N 3.46Å; I160-C164 PolarHBondContact O-N 2.77Å; I160-C164 PolarHBondContact O-SG 3.34Å; I160-I189 HydrophobicContact CB-CD1 4.38Å; I160-I189 HydrophobicContact CB-CG1 4.42Å; I160-I189 HydrophobicContact CD1-CG2 4.04Å; I160-I189 HydrophobicContact CG2-CD1 4.12Å; I160-I189 HydrophobicContact CG2-CG1 3.79Å
161	R	98.3	Very high	97.6	Very high	101 Å²	101	46.9 Å²	46.9	38%	0.381	24%	0.244	S	C	.	.	H	α-helix	trans	-60.5	-46.4	177.9	-69.3	177.9	69.4	93	6.6	111.7	I157 D158 C164 A165 L172 I189 L210	I157-R161 HydrophobicContact CG2-CG 4.49Å; I157-R161 VanDerWaalsContact O-CG 3.27Å; I157-R161 WeakPolarHBondContact O-CG 3.49Å; I157-R161 PolarHBondContact O-N 3.01Å; D158-R161 PolarHBondContact O-N 3.37Å; R161-C164 PolarHBondContact O-N 3.09Å; R161-A165 WeakPolarHBondContact O-CB 3.47Å; R161-A165 PolarHBondContact O-N 3.37Å; R161-L172 HydrophobicContact CG-CD2 3.93Å; R161-I189 HydrophobicContact CG-CD1 3.94Å; R161-L210 PolarHBondContact NH1-O 3.46Å
162	R	96.3	Very high	97.7	Very high	92 Å²	92	43.6 Å²	43.6	35%	0.347	24%	0.235	S	C	.	.	H	α-helix	trans	-65.3	-39.3	176.6	-74.6	-171.7	-72.4	97.1	3.5	112	L108 D158 L159 I160 A165 S166	L108-R162 HydrophobicContact CD1-CB 3.79Å; L108-R162 VanDerWaalsContact CD1-NH1 3.27Å; D158-R162 PolarHBondContact O-N 2.62Å; D158-R162 IonicContact OD1-NE 3.35Å; D158-R162 IonicContact OD2-CZ 3.79Å; D158-R162 IonicContact OD2-NE 3.81Å; D158-R162 PolarHBondContact OD2-NE 3.12Å; D158-R162 IonicContact OD2-NH2 3.58Å; D158-R162 PolarHBondContact OD2-NH2 2.99Å; L159-R162 PolarHBondContact O-N 3.07Å; I160-R162 PolarHBondContact O-N 2.95Å; R162-A165 PolarHBondContact O-N 2.95Å; R162-S166 VanDerWaalsContact O-CB 3.25Å; R162-S166 WeakPolarHBondContact O-CB 3.38Å; R162-S166 PolarHBondContact O-N 2.94Å; R162-S166 PolarHBondContact O-OG 3.18Å
163	M	96.3	Very high	97.7	Very high	1 Å²	1	43 Å²	43	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-57	-54.5	174.4	172.5	178.6	77.3	0	0	110.4	L96 L100 L108 L113 W136 L159 I160 A165 S166 Y167 L170	L96-M163 HydrophobicContact CD2-SD 4.29Å; L100-M163 HydrophobicContact CD1-SD 4.27Å; L108-M163 HydrophobicContact CD1-CB 4.16Å; L113-M163 HydrophobicContact CD1-CG 3.47Å; L113-M163 VanDerWaalsContact CD1-CG 3.47Å; L113-M163 HydrophobicContact CD1-SD 3.63Å; W136-M163 HydrophobicContact CD2-CE 3.64Å; W136-M163 HydrophobicContact CE3-CE 4.23Å; W136-M163 HydrophobicContact CG-CE 3.87Å; W136-M163 HydrophobicContact CH2-CE 4.45Å; W136-M163 HydrophobicContact CZ2-CE 3.95Å; L159-M163 VanDerWaalsContact O-CB 3.29Å; L159-M163 WeakPolarHBondContact O-CB 3.37Å; L159-M163 PolarHBondContact O-N 2.99Å; I160-M163 HydrophobicContact CG2-CE 4.28Å; I160-M163 WeakPolarHBondContact O-CB 3.44Å; I160-M163 PolarHBondContact O-N 3.46Å; M163-A165 VanDerWaalsContact C-N 3.26Å; M163-A165 PolarHBondContact O-N 2.96Å; M163-S166 PolarHBondContact O-N 3.1Å; M163-S166 VanDerWaalsContact O-N 3.12Å; M163-Y167 WeakPolarHBondContact O-CD2 3.42Å; M163-Y167 PolarHBondContact O-N 3.47Å; M163-L170 HydrophobicContact CG-CD1 4.01Å
164	C	97.3	Very high	97.7	Very high	6 Å²	6	45.4 Å²	45.4	4%	0.041	25%	0.247	C	C	.	.	H	α-helix	trans	-68.1	-25.4	-177.7	-57.4	0	0	0	0	113.2	I160 R161 L170 L172 C187	I160-C164 PolarHBondContact O-N 2.77Å; I160-C164 PolarHBondContact O-SG 3.34Å; R161-C164 PolarHBondContact O-N 3.09Å; C164-L170 HydrophobicContact CB-CB 4.22Å; C164-L172 HydrophobicContact CB-CB 4.19Å; C164-C187 HydrophobicContact CB-CB 3.83Å; C164-C187 WeakPolarHBondContact CB-SG 3.26Å; C164-C187 WeakPolarHBondContact SG-CB 3.47Å; C164-C187 CovalentContact SG-SG 2.05Å; C164-C187 PolarHBondContact SG-SG 3.36Å
165	A	97.1	Very high	97.8	Very high	87 Å²	87	44 Å²	44	72%	0.719	24%	0.242	S	C	*	.	H	α-helix	trans	-78.1	-24.7	173.5	0	0	0	0	0	113.8	R161 R162 M163	R161-A165 WeakPolarHBondContact O-CB 3.47Å; R161-A165 PolarHBondContact O-N 3.37Å; R162-A165 PolarHBondContact O-N 2.95Å; M163-A165 VanDerWaalsContact C-N 3.26Å; M163-A165 PolarHBondContact O-N 2.96Å
166	S	95.8	Very high	97.8	Very high	80 Å²	80	40.9 Å²	40.9	56%	0.559	23%	0.228	S	C	*	.	H	α-helix	trans	-91	-14	-171.4	-58	0	0	0	0	113.7	R162 M163	R162-S166 VanDerWaalsContact O-CB 3.25Å; R162-S166 WeakPolarHBondContact O-CB 3.38Å; R162-S166 PolarHBondContact O-N 2.94Å; R162-S166 PolarHBondContact O-OG 3.18Å; M163-S166 PolarHBondContact O-N 3.1Å; M163-S166 VanDerWaalsContact O-N 3.12Å
167	Y	96.8	Very high	97.8	Very high	24 Å²	24	47.7 Å²	47.7	9%	0.094	26%	0.258	C	S	.	.			trans	-118	120.3	-177.2	-75.8	-87.8	0	0	0	109.7	V111 L113 R114 L123 M163 E169 L170	V111-Y167 PolarHBondContact O-OH 3.3Å; L113-Y167 HydrophobicContact CB-CE1 4.02Å; L113-Y167 HydrophobicContact CB-CE2 4.01Å; L113-Y167 HydrophobicContact CD1-CD2 4.08Å; L113-Y167 HydrophobicContact CD1-CE2 3.58Å; L113-Y167 HydrophobicContact CG-CE2 3.78Å; L113-Y167 PolarHBondContact N-OH 2.78Å; R114-Y167 HydrophobicContact CG-CD1 4.36Å; R114-Y167 HydrophobicContact CG-CE1 4.13Å; L123-Y167 HydrophobicContact CD1-CD1 3.22Å; L123-Y167 HydrophobicContact CD1-CD2 4.39Å; L123-Y167 HydrophobicContact CD1-CE1 3.78Å; L123-Y167 HydrophobicContact CD1-CG 3.59Å; M163-Y167 WeakPolarHBondContact O-CD2 3.42Å; M163-Y167 PolarHBondContact O-N 3.47Å; Y167-E169 VanDerWaalsContact CB-OE1 3.32Å; Y167-E169 WeakPolarHBondContact CB-OE1 3.47Å; Y167-E169 PolarHBondContact O-N 3.43Å; Y167-L170 PolarHBondContact O-N 3.08Å
168	S	97.5	Very high	97.8	Very high	88 Å²	88	49.1 Å²	49.1	62%	0.615	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-23.4	-174.7	53	0	0	0	0	113.2	L170 K184	S168-L170 VanDerWaalsContact C-N 3.29Å; S168-K184 WeakPolarHBondContact O-CD 3.27Å; S168-K184 WeakPolarHBondContact O-CE 3.47Å; S168-K184 PolarHBondContact O-NZ 3.17Å
169	E	98	Very high	97.9	Very high	58 Å²	58	45.8 Å²	45.8	27%	0.271	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-10.5	174.9	55.8	-95.7	90.9	0	0	114.4	R114 L123 Y167 K184 L185	R114-E169 IonicContact CZ-OE1 3.52Å; R114-E169 IonicContact CZ-OE2 2.8Å; R114-E169 IonicContact NE-OE1 3.65Å; R114-E169 IonicContact NE-OE2 2.71Å; R114-E169 PolarHBondContact NE-OE2 3.44Å; R114-E169 IonicContact NH2-OE1 2.92Å; R114-E169 PolarHBondContact NH2-OE1 2.96Å; R114-E169 IonicContact NH2-OE2 3.19Å; L123-E169 HydrophobicContact CB-CG 4.5Å; L123-E169 HydrophobicContact CD1-CG 3.81Å; Y167-E169 VanDerWaalsContact CB-OE1 3.32Å; Y167-E169 WeakPolarHBondContact CB-OE1 3.47Å; Y167-E169 PolarHBondContact O-N 3.43Å; E169-K184 WeakPolarHBondContact O-CB 3.35Å; E169-L185 PolarHBondContact O-N 2.91Å
170	L	98.6	Very high	97.9	Very high	4 Å²	4	48.8 Å²	48.8	2%	0.021	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	152.1	-179.8	-61	-174	0	0	0	111.8	L123 M163 C164 Y167 S168 L185	L123-L170 HydrophobicContact CD2-CD1 4.12Å; L123-L170 HydrophobicContact CD2-CD2 3.96Å; L123-L170 HydrophobicContact CD2-CG 4.3Å; M163-L170 HydrophobicContact CG-CD1 4.01Å; C164-L170 HydrophobicContact CB-CB 4.22Å; Y167-L170 PolarHBondContact O-N 3.08Å; S168-L170 VanDerWaalsContact C-N 3.29Å; L170-L185 HydrophobicContact CD2-CB 3.89Å; L170-L185 HydrophobicContact CD2-CD1 4.49Å; L170-L185 HydrophobicContact CD2-CD2 3.81Å; L170-L185 HydrophobicContact CD2-CG 4.27Å
171	E	98.8	Very high	97.9	Very high	81 Å²	81	52.6 Å²	52.6	38%	0.379	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	121	171.3	-174	170.1	-168.9	0	0	111.1	V173 T182 K184 L185 A186 C187	E171-V173 HydrophobicContact CG-CG1 4.07Å; E171-V173 PolarHBondContact O-N 2.97Å; E171-T182 WeakPolarHBondContact OE2-CB 3.39Å; E171-T182 PolarHBondContact OE2-OG1 3.09Å; E171-K184 HydrophobicContact CB-CB 3.97Å; E171-K184 HydrophobicContact CB-CD 3.9Å; E171-L185 PolarHBondContact N-O 2.81Å; E171-L185 VanDerWaalsContact N-O 3.08Å; E171-A186 CarbonylContact O-C 3.55Å; E171-C187 PolarHBondContact O-N 3.49Å
172	L	98.9	Very high	97.9	Very high	51 Å²	51	48.9 Å²	48.9	27%	0.267	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	115.3	172.3	-178.2	69.6	0	0	0	110.1	R161 C164 C187 I189	R161-L172 HydrophobicContact CG-CD2 3.93Å; C164-L172 HydrophobicContact CB-CB 4.19Å; L172-C187 WeakPolarHBondContact CA-O 3.24Å; L172-C187 HydrophobicContact CD1-CB 4.22Å; L172-I189 HydrophobicContact CD1-CD1 4.07Å; L172-I189 HydrophobicContact CD1-CG1 4.03Å
173	V	98.9	Very high	97.9	Very high	5 Å²	5	53.2 Å²	53.2	3%	0.03	30%	0.302	C	S	.	.			trans	-116.3	153.8	176.1	-56.9	0	0	0	0	110.3	E171 A178 L179 T182 A186 C187 L188	E171-V173 HydrophobicContact CG-CG1 4.07Å; E171-V173 PolarHBondContact O-N 2.97Å; V173-A178 HydrophobicContact CB-CB 3.8Å; V173-A178 HydrophobicContact CG1-CB 3.98Å; V173-L179 HydrophobicContact CG2-CB 4.16Å; V173-T182 HydrophobicContact CG1-CG2 4.49Å; V173-A186 HydrophobicContact CG1-CB 4.38Å; V173-A186 HydrophobicContact CG2-CB 3.72Å; V173-C187 PolarHBondContact N-O 3.46Å; V173-L188 HydrophobicContact CG2-CD1 3.75Å; V173-L188 HydrophobicContact CG2-CD2 3.98Å; V173-L188 HydrophobicContact CG2-CG 3.66Å
174	T	98.8	Very high	98	Very high	49 Å²	49	57.5 Å²	57.5	30%	0.301	32%	0.32	S	S	.	.			trans	-139.3	21.7	-175.8	65.7	0	0	0	0	112.9	R213	T174-R213 VanDerWaalsContact CB-NH2 3.33Å; T174-R213 PolarHBondContact O-NE 3.14Å; T174-R213 PolarHBondContact O-NH2 3.47Å; T174-R213 PolarHBondContact OG1-NH2 3.08Å
175	S	98.9	Very high	98.1	Very high	35 Å²	35	58.2 Å²	58.2	25%	0.245	32%	0.323	C	S	.	.	S	Bend	trans	-148.7	160	174.1	64.1	0	0	0	0	112.1	K177 A178 L179 F401 E405	S175-K177 VanDerWaalsContact C-N 3.27Å; S175-K177 PolarHBondContact O-N 2.85Å; S175-A178 PolarHBondContact O-N 2.73Å; S175-A178 VanDerWaalsContact OG-CB 3.28Å; S175-A178 WeakPolarHBondContact OG-CB 3.43Å; S175-A178 PolarHBondContact OG-N 2.96Å; S175-A178 VanDerWaalsContact OG-N 3.12Å; S175-L179 WeakPolarHBondContact O-CB 3Å; S175-L179 PolarHBondContact O-N 3.38Å; S175-F401 VanDerWaalsContact C-CE1 3.49Å; S175-E405 WeakPolarHBondContact CA-OE1 3.41Å; S175-E405 WeakPolarHBondContact CB-OE1 3.49Å
176	A	98.7	Very high	98.2	Very high	2 Å²	2	54 Å²	54	2%	0.017	29%	0.289	C	S	.	.	H	α-helix	trans	-62.4	-39.1	176.3	0	0	0	0	0	111.2	L179 N180 L398 F401 S402 E405	A176-L179 PolarHBondContact O-N 3.33Å; A176-N180 WeakPolarHBondContact O-CB 3.5Å; A176-N180 PolarHBondContact O-N 3.39Å; A176-L398 HydrophobicContact CB-CD2 4.28Å; A176-L398 WeakPolarHBondContact O-CD2 3.35Å; A176-F401 HydrophobicContact CB-CB 4.03Å; A176-F401 HydrophobicContact CB-CD1 3.96Å; A176-F401 HydrophobicContact CB-CG 3.94Å; A176-S402 WeakPolarHBondContact CB-OG 3.44Å; A176-E405 VanDerWaalsContact CB-OE2 3.24Å; A176-E405 WeakPolarHBondContact CB-OE2 3.43Å; A176-E405 PolarHBondContact N-OE1 3.15Å; A176-E405 VanDerWaalsContact N-OE1 3.08Å; A176-E405 PolarHBondContact N-OE2 3.09Å
177	K	98.6	Very high	98.3	Very high	143 Å²	143	50.2 Å²	50.2	62%	0.622	26%	0.263	S	S	*	.	H	α-helix	trans	-60.5	-49.5	175.1	-174.6	-176.9	-174.7	-55	0	111.8	S175 L179 N180 D181	S175-K177 VanDerWaalsContact C-N 3.27Å; S175-K177 PolarHBondContact O-N 2.85Å; K177-L179 VanDerWaalsContact C-N 3.34Å; K177-L179 PolarHBondContact O-N 3.48Å; K177-N180 PolarHBondContact O-N 2.84Å; K177-N180 VanDerWaalsContact O-N 3.14Å; K177-D181 WeakPolarHBondContact CG-OD2 3.33Å; K177-D181 IonicContact NZ-OD2 2.79Å; K177-D181 PolarHBondContact NZ-OD2 2.94Å; K177-D181 WeakPolarHBondContact O-CB 3.37Å; K177-D181 PolarHBondContact O-N 3.24Å
178	A	98.6	Very high	98.4	Very high	33 Å²	33	49.1 Å²	49.1	27%	0.273	26%	0.258	S	S	.	.	H	α-helix	trans	-65.8	-37.4	-179.6	0	0	0	0	0	112.2	V173 S175 N180 D181 T182	V173-A178 HydrophobicContact CB-CB 3.8Å; V173-A178 HydrophobicContact CG1-CB 3.98Å; S175-A178 PolarHBondContact O-N 2.73Å; S175-A178 VanDerWaalsContact OG-CB 3.28Å; S175-A178 WeakPolarHBondContact OG-CB 3.43Å; S175-A178 PolarHBondContact OG-N 2.96Å; S175-A178 VanDerWaalsContact OG-N 3.12Å; A178-N180 VanDerWaalsContact C-N 3.29Å; A178-N180 PolarHBondContact O-N 3.42Å; A178-D181 PolarHBondContact O-N 3Å; A178-T182 PolarHBondContact O-N 3.09Å; A178-T182 VanDerWaalsContact O-N 3.15Å
179	L	98.6	Very high	98.5	Very high	5 Å²	5	44.9 Å²	44.9	3%	0.026	23%	0.229	C	C	.	.	H	α-helix	trans	-59.3	-42.1	171.4	-170.5	160.7	0	0	0	111.2	V90 A133 V173 S175 A176 K177 T182 A186 L188 L397 L398	V90-L179 HydrophobicContact CG1-CD1 4.24Å; V90-L179 HydrophobicContact CG2-CD2 3.81Å; A133-L179 HydrophobicContact CB-CD1 4.19Å; A133-L179 HydrophobicContact CB-CD2 4.18Å; A133-L179 HydrophobicContact CB-CG 4.02Å; V173-L179 HydrophobicContact CG2-CB 4.16Å; S175-L179 WeakPolarHBondContact O-CB 3Å; S175-L179 PolarHBondContact O-N 3.38Å; A176-L179 PolarHBondContact O-N 3.33Å; K177-L179 VanDerWaalsContact C-N 3.34Å; K177-L179 PolarHBondContact O-N 3.48Å; L179-T182 WeakPolarHBondContact O-CG2 3.23Å; L179-A186 HydrophobicContact CG-CB 4.46Å; L179-L188 HydrophobicContact CD1-CD1 3.66Å; L179-L188 HydrophobicContact CD1-CD2 4Å; L179-L188 HydrophobicContact CG-CD1 4.28Å; L179-L397 HydrophobicContact CD1-CD1 4.13Å; L179-L398 HydrophobicContact CB-CD2 4.41Å; L179-L398 HydrophobicContact CD2-CD2 3.71Å; L179-L398 HydrophobicContact CD2-CG 4.18Å; L179-L398 HydrophobicContact CG-CD2 4.49Å
180	N	97.8	Very high	98.5	Very high	79 Å²	79	42.1 Å²	42.1	42%	0.422	22%	0.216	S	C	.	.	H	α-helix	trans	-74.2	-33.3	-176.8	-166	57.4	0	0	0	113.5	A176 K177 A178 R394 L398	A176-N180 WeakPolarHBondContact O-CB 3.5Å; A176-N180 PolarHBondContact O-N 3.39Å; K177-N180 PolarHBondContact O-N 2.84Å; K177-N180 VanDerWaalsContact O-N 3.14Å; A178-N180 VanDerWaalsContact C-N 3.29Å; A178-N180 PolarHBondContact O-N 3.42Å; N180-R394 PolarHBondContact OD1-NH2 2.77Å; N180-L398 HydrophobicContact CB-CD1 4.45Å; N180-L398 HydrophobicContact CB-CD2 4.1Å
181	D	98	Very high	98.5	Very high	80 Å²	80	42 Å²	42	43%	0.428	22%	0.215	S	C	.	.	H	α-helix	trans	-91.3	-21.9	-171.6	-65.1	-11.3	0	0	0	113.8	K177 A178 Q183	K177-D181 WeakPolarHBondContact CG-OD2 3.33Å; K177-D181 IonicContact NZ-OD2 2.79Å; K177-D181 PolarHBondContact NZ-OD2 2.94Å; K177-D181 WeakPolarHBondContact O-CB 3.37Å; K177-D181 PolarHBondContact O-N 3.24Å; A178-D181 PolarHBondContact O-N 3Å; D181-Q183 PolarHBondContact O-NE2 2.83Å; D181-Q183 VanDerWaalsContact O-NE2 3.14Å
182	T	97.7	Very high	98.5	Very high	24 Å²	24	38.3 Å²	38.3	15%	0.147	20%	0.198	C	C	.	.			trans	-61.3	144.4	-178	-178.6	0	0	0	0	112.1	E171 V173 A178 L179 K184 A186	E171-T182 WeakPolarHBondContact OE2-CB 3.39Å; E171-T182 PolarHBondContact OE2-OG1 3.09Å; V173-T182 HydrophobicContact CG1-CG2 4.49Å; A178-T182 PolarHBondContact O-N 3.09Å; A178-T182 VanDerWaalsContact O-N 3.15Å; L179-T182 WeakPolarHBondContact O-CG2 3.23Å; T182-K184 PolarHBondContact OG1-N 2.95Å; T182-A186 HydrophobicContact CG2-CB 3.62Å
183	Q	96.5	Very high	98.5	Very high	182 Å²	182	35.9 Å²	35.9	85%	0.85	19%	0.185	S	C	*	.	S	Bend	trans	-100.5	4.1	174	-57	-58.4	-63.5	0	0	112.1	D181	D181-Q183 PolarHBondContact O-NE2 2.83Å; D181-Q183 VanDerWaalsContact O-NE2 3.14Å
184	K	98.4	Very high	98.5	Very high	92 Å²	92	35.6 Å²	35.6	40%	0.4	18%	0.184	S	C	.	.	S	Bend	trans	-110.2	174.8	-179.5	-69.3	178.8	174.9	-162.4	0	109.8	S168 E169 E171 T182 A186	S168-K184 WeakPolarHBondContact O-CD 3.27Å; S168-K184 WeakPolarHBondContact O-CE 3.47Å; S168-K184 PolarHBondContact O-NZ 3.17Å; E169-K184 WeakPolarHBondContact O-CB 3.35Å; E171-K184 HydrophobicContact CB-CB 3.97Å; E171-K184 HydrophobicContact CB-CD 3.9Å; T182-K184 PolarHBondContact OG1-N 2.95Å; K184-A186 PolarHBondContact O-N 3.02Å; K184-A186 VanDerWaalsContact O-N 3.16Å
185	L	98.8	Very high	98.5	Very high	20 Å²	20	33.4 Å²	33.4	11%	0.105	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	111.4	167.9	-168.8	159	0	0	0	108.4	L126 G132 Q134 E169 L170 E171 C187	L126-L185 HydrophobicContact CB-CD1 3.69Å; L126-L185 HydrophobicContact CD1-CD1 3.79Å; L126-L185 HydrophobicContact CG-CD1 4.22Å; G132-L185 WeakPolarHBondContact O-CA 3.45Å; Q134-L185 HydrophobicContact CB-CD2 4.13Å; E169-L185 PolarHBondContact O-N 2.91Å; L170-L185 HydrophobicContact CD2-CB 3.89Å; L170-L185 HydrophobicContact CD2-CD1 4.49Å; L170-L185 HydrophobicContact CD2-CD2 3.81Å; L170-L185 HydrophobicContact CD2-CG 4.27Å; E171-L185 PolarHBondContact N-O 2.81Å; E171-L185 VanDerWaalsContact N-O 3.08Å; L185-C187 PolarHBondContact O-N 2.98Å
186	A	98.9	Very high	98.5	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	120.6	-178.3	0	0	0	0	0	110.4	G132 A133 Q134 E171 V173 L179 T182 K184 L188	G132-A186 PolarHBondContact O-N 3.37Å; A133-A186 CarbonylContact C-O 3.58Å; A133-A186 VanDerWaalsContact CA-O 3.28Å; A133-A186 WeakPolarHBondContact CA-O 3.33Å; A133-A186 HydrophobicContact CB-CB 3.62Å; Q134-A186 PolarHBondContact N-O 3Å; E171-A186 CarbonylContact O-C 3.55Å; V173-A186 HydrophobicContact CG1-CB 4.38Å; V173-A186 HydrophobicContact CG2-CB 3.72Å; L179-A186 HydrophobicContact CG-CB 4.46Å; T182-A186 HydrophobicContact CG2-CB 3.62Å; K184-A186 PolarHBondContact O-N 3.02Å; K184-A186 VanDerWaalsContact O-N 3.16Å; A186-L188 HydrophobicContact CB-CD1 4.28Å
187	C	98.8	Very high	98.5	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	130	168.5	-66.2	0	0	0	0	109.9	W136 C164 E171 L172 V173 L185	W136-C187 PolarHBondContact NE1-SG 3.18Å; W136-C187 VanDerWaalsContact NE1-SG 3.35Å; C164-C187 HydrophobicContact CB-CB 3.83Å; C164-C187 WeakPolarHBondContact CB-SG 3.26Å; C164-C187 WeakPolarHBondContact SG-CB 3.47Å; C164-C187 CovalentContact SG-SG 2.05Å; C164-C187 PolarHBondContact SG-SG 3.36Å; E171-C187 PolarHBondContact O-N 3.49Å; L172-C187 WeakPolarHBondContact CA-O 3.24Å; L172-C187 HydrophobicContact CD1-CB 4.22Å; V173-C187 PolarHBondContact N-O 3.46Å; L185-C187 PolarHBondContact O-N 2.98Å
188	L	98.9	Very high	98.4	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	162.5	165.8	-60.4	97.9	0	0	0	109.3	A133 Q134 F135 W136 V173 L179 A186 F401	A133-L188 HydrophobicContact CB-CD1 4.27Å; Q134-L188 PolarHBondContact O-N 3.44Å; F135-L188 HydrophobicContact CD1-CB 3.5Å; F135-L188 VanDerWaalsContact CD1-CB 3.5Å; F135-L188 HydrophobicContact CD2-CB 4.29Å; F135-L188 HydrophobicContact CD2-CD1 4.46Å; F135-L188 HydrophobicContact CE1-CB 3.52Å; F135-L188 HydrophobicContact CE1-CD2 3.86Å; F135-L188 HydrophobicContact CE1-CG 4.22Å; F135-L188 HydrophobicContact CE2-CB 4.29Å; F135-L188 HydrophobicContact CE2-CD1 4.22Å; F135-L188 HydrophobicContact CE2-CD2 4.19Å; F135-L188 HydrophobicContact CE2-CG 4.46Å; F135-L188 HydrophobicContact CG-CB 3.91Å; F135-L188 HydrophobicContact CZ-CB 3.93Å; F135-L188 HydrophobicContact CZ-CD1 4.4Å; F135-L188 HydrophobicContact CZ-CD2 3.58Å; F135-L188 HydrophobicContact CZ-CG 4.16Å; W136-L188 PolarHBondContact N-O 2.87Å; V173-L188 HydrophobicContact CG2-CD1 3.75Å; V173-L188 HydrophobicContact CG2-CD2 3.98Å; V173-L188 HydrophobicContact CG2-CG 3.66Å; L179-L188 HydrophobicContact CD1-CD1 3.66Å; L179-L188 HydrophobicContact CD1-CD2 4Å; L179-L188 HydrophobicContact CG-CD1 4.28Å; A186-L188 HydrophobicContact CB-CD1 4.28Å; L188-F401 HydrophobicContact CD2-CE1 3.64Å; L188-F401 HydrophobicContact CD2-CZ 4.36Å
189	I	98.9	Very high	98.2	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	126.1	-177.9	-52.3	178.2	0	0	0	109.4	A138 I157 I160 R161 L172 V212 R213	A138-I189 HydrophobicContact CB-CG2 4.09Å; I157-I189 HydrophobicContact CG1-CG2 4.26Å; I157-I189 HydrophobicContact CG2-CD1 4.14Å; I160-I189 HydrophobicContact CB-CD1 4.38Å; I160-I189 HydrophobicContact CB-CG1 4.42Å; I160-I189 HydrophobicContact CD1-CG2 4.04Å; I160-I189 HydrophobicContact CG2-CD1 4.12Å; I160-I189 HydrophobicContact CG2-CG1 3.79Å; R161-I189 HydrophobicContact CG-CD1 3.94Å; L172-I189 HydrophobicContact CD1-CD1 4.07Å; L172-I189 HydrophobicContact CD1-CG1 4.03Å; I189-V212 HydrophobicContact CB-CG2 4.44Å; I189-V212 HydrophobicContact CG2-CG2 3.91Å; I189-V212 WeakPolarHBondContact O-CA 3.47Å; I189-R213 PolarHBondContact O-N 3.16Å
190	G	98.9	Very high	98.1	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	137.2	166.5	0	0	0	0	0	110.5	W136 A138 Y214	W136-G190 PolarHBondContact O-N 3.17Å; W136-G190 VanDerWaalsContact O-N 3.08Å; A138-G190 WeakPolarHBondContact CB-O 3.3Å; A138-G190 PolarHBondContact N-O 3.02Å; G190-Y214 VanDerWaalsContact CA-CE2 3.4Å; G190-Y214 VanDerWaalsContact CA-CZ 3.43Å
191	V	98.9	Very high	98.2	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	125.9	171.1	172.6	0	0	0	0	108.4	A138 T153 I157 F207 V212 Y214 L215 T216	A138-V191 HydrophobicContact CB-CG2 4.13Å; T153-V191 HydrophobicContact CG2-CG1 3.94Å; T153-V191 HydrophobicContact CG2-CG2 4.02Å; I157-V191 HydrophobicContact CD1-CG2 4.2Å; V191-F207 HydrophobicContact CG1-CE2 4.29Å; V191-F207 HydrophobicContact CG2-CD2 4.16Å; V191-V212 HydrophobicContact CB-CG1 4.22Å; V191-V212 HydrophobicContact CG2-CB 4.35Å; V191-V212 HydrophobicContact CG2-CG1 3.72Å; V191-V212 HydrophobicContact CG2-CG2 3.64Å; V191-Y214 PolarHBondContact N-O 3.35Å; V191-L215 HydrophobicContact CB-CD1 3.77Å; V191-L215 HydrophobicContact CG1-CD1 3.57Å; V191-L215 WeakPolarHBondContact O-CA 3.03Å; V191-T216 PolarHBondContact O-N 2.78Å; V191-T216 PolarHBondContact O-OG1 2.69Å
192	E	98.8	Very high	98.2	Very high	4 Å²	4	22.8 Å²	22.8	2%	0.019	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	98.6	-176.9	-167.4	-172	-166.7	0	0	111.5	H93 S137 Y139 T216 H219 H265 H286	H93-E192 IonicContact CE1-OE1 3.19Å; H93-E192 IonicContact CE1-OE2 3.33Å; H93-E192 IonicContact NE2-OE1 3.02Å; H93-E192 IonicContact NE2-OE2 2.78Å; H93-E192 PolarHBondContact NE2-OE2 3.35Å; S137-E192 PolarHBondContact OG-OE2 2.87Å; Y139-E192 WeakPolarHBondContact CB-OE2 3.29Å; Y139-E192 HydrophobicContact CD2-CB 4.24Å; Y139-E192 HydrophobicContact CD2-CG 4.38Å; Y139-E192 WeakPolarHBondContact CD2-OE2 3.48Å; E192-T216 HydrophobicContact CG-CG2 4.39Å; E192-H219 IonicContact OE1-CD2 3.54Å; E192-H219 PolarHBondContact OE1-CD2 2.89Å; E192-H219 IonicContact OE1-NE2 3.62Å; E192-H265 IonicContact OE1-CD2 3.8Å; E192-H265 PolarHBondContact OE1-CD2 3.39Å; E192-H265 IonicContact OE1-CE1 3.39Å; E192-H265 IonicContact OE1-NE2 3.88Å; E192-H265 PolarHBondContact OE1-NE2 3.44Å; E192-H286 IonicContact OE1-CE1 3.33Å; E192-H286 PolarHBondContact OE1-CE1 2.96Å; E192-H286 IonicContact OE1-NE2 2.71Å; E192-H286 PolarHBondContact OE1-NE2 2.92Å
193	G	98.7	Very high	98.2	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.119	C	C	.	.			trans	114.5	123.1	174.5	0	0	0	0	0	113.1	H195 S196 T216	G193-H195 PolarHBondContact O-N 3.15Å; G193-H195 VanDerWaalsContact O-N 3.13Å; G193-S196 WeakPolarHBondContact O-CB 3.45Å; G193-S196 PolarHBondContact O-N 3.33Å; G193-S196 VanDerWaalsContact O-N 3.16Å; G193-S196 PolarHBondContact O-OG 2.76Å; G193-T216 CarbonylContact C-O 3.43Å; G193-T216 VanDerWaalsContact C-O 3.29Å; G193-T216 WeakPolarHBondContact CA-O 2.99Å; G193-T216 PolarHBondContact N-O 3.02Å; G193-T216 VanDerWaalsContact N-O 3.11Å
194	G	98.7	Very high	98.4	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.079	C	C	.	.	G	3₁₀ helix	trans	-65	-14.5	180	0	0	0	0	0	114.8	S196 L197 T216 L217	G194-S196 PolarHBondContact O-N 2.99Å; G194-L197 WeakPolarHBondContact O-CB 3.35Å; G194-L197 PolarHBondContact O-N 3.03Å; G194-T216 PolarHBondContact N-O 2.73Å; G194-T216 VanDerWaalsContact N-O 3.09Å; G194-L217 VanDerWaalsContact CA-O 3.31Å; G194-L217 WeakPolarHBondContact CA-O 3.45Å; G194-L217 PolarHBondContact N-O 2.91Å; G194-L217 VanDerWaalsContact N-O 3.12Å
195	H	98.3	Very high	98.4	Very high	2 Å²	2	11.6 Å²	11.6	1%	0.009	7%	0.066	C	C	.	.	G	3₁₀ helix	trans	-61.9	-23.4	173.5	58.1	-75.3	0	0	0	112.3	V140 Q145 G193 L197 D198 T223	V140-H195 PolarHBondContact O-NE2 2.62Å; Q145-H195 HydrophobicContact CB-CB 3.8Å; Q145-H195 HydrophobicContact CG-CB 3.75Å; G193-H195 PolarHBondContact O-N 3.15Å; G193-H195 VanDerWaalsContact O-N 3.13Å; H195-L197 PolarHBondContact O-N 3.05Å; H195-D198 PolarHBondContact O-N 2.98Å; H195-T223 HydrophobicContact CB-CG2 4.42Å
196	S	98.7	Very high	98.4	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.08	C	C	.	.	G	3₁₀ helix	trans	-62.3	-21.7	171.7	-65.7	0	0	0	0	114	T153 G193 G194 D198 F207	T153-S196 VanDerWaalsContact OG1-CB 3.25Å; T153-S196 WeakPolarHBondContact OG1-CB 3.45Å; T153-S196 PolarHBondContact OG1-OG 2.9Å; G193-S196 WeakPolarHBondContact O-CB 3.45Å; G193-S196 PolarHBondContact O-N 3.33Å; G193-S196 VanDerWaalsContact O-N 3.16Å; G193-S196 PolarHBondContact O-OG 2.76Å; G194-S196 PolarHBondContact O-N 2.99Å; S196-D198 VanDerWaalsContact C-N 3.3Å; S196-F207 WeakPolarHBondContact O-CZ 3.35Å
197	L	98.4	Very high	98.4	Very high	1 Å²	1	13.9 Å²	13.9	1%	0.005	8%	0.081	C	C	.	.	G	3₁₀ helix	trans	-78.2	-14.9	177.8	-61	-170.8	0	0	0	113.5	G194 H195 N199 S200 I203 L204 F207 L215 W225 V250	G194-L197 WeakPolarHBondContact O-CB 3.35Å; G194-L197 PolarHBondContact O-N 3.03Å; H195-L197 PolarHBondContact O-N 3.05Å; L197-N199 PolarHBondContact O-N 3.21Å; L197-S200 WeakPolarHBondContact O-CB 3.36Å; L197-S200 PolarHBondContact O-N 3.35Å; L197-I203 HydrophobicContact CD2-CG2 4.26Å; L197-I203 WeakPolarHBondContact O-CD1 3.48Å; L197-L204 HydrophobicContact CD1-CB 4.19Å; L197-L204 HydrophobicContact CD1-CD1 4.25Å; L197-L204 HydrophobicContact CD2-CB 3.85Å; L197-L204 HydrophobicContact CD2-CD1 4.03Å; L197-F207 HydrophobicContact CD2-CD2 3.77Å; L197-F207 HydrophobicContact CD2-CE2 3.8Å; L197-L215 HydrophobicContact CD1-CD2 3.6Å; L197-L215 HydrophobicContact CD2-CD2 4.15Å; L197-L215 HydrophobicContact CG-CD2 3.96Å; L197-W225 HydrophobicContact CD1-CH2 4.47Å; L197-W225 HydrophobicContact CD1-CZ2 4.03Å; L197-V250 HydrophobicContact CD1-CG1 4.02Å
198	D	96.1	Very high	98.4	Very high	43 Å²	43	15.4 Å²	15.4	23%	0.23	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.7	35.1	-171.6	-157.1	53.9	0	0	0	112.4	H195 S196 S200 I203 R431	H195-D198 PolarHBondContact O-N 2.98Å; S196-D198 VanDerWaalsContact C-N 3.3Å; D198-S200 PolarHBondContact O-N 3.25Å; D198-I203 HydrophobicContact CB-CD1 4.06Å; D198-R431 PolarHBondContact O-NH1 3.2Å; D198-R431 IonicContact OD1-CZ 3.57Å; D198-R431 IonicContact OD1-NE 2.7Å; D198-R431 PolarHBondContact OD1-NE 3.27Å; D198-R431 IonicContact OD1-NH1 2.82Å; D198-R431 IonicContact OD1-NH2 3.82Å; D198-R431 PolarHBondContact OD1-NH2 3.4Å; D198-R431 IonicContact OD2-CZ 2.83Å; D198-R431 VanDerWaalsContact OD2-CZ 3.24Å; D198-R431 IonicContact OD2-NE 3.23Å; D198-R431 PolarHBondContact OD2-NE 3.36Å; D198-R431 IonicContact OD2-NH1 3.81Å; D198-R431 PolarHBondContact OD2-NH1 3.27Å; D198-R431 IonicContact OD2-NH2 2.71Å
199	N	95.6	Very high	98.4	Very high	9 Å²	9	23 Å²	23	5%	0.048	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.5	31.3	-176.1	-42.5	-52	0	0	0	115.4	L197 P224 W225 F246 F421 R431	L197-N199 PolarHBondContact O-N 3.21Å; N199-P224 VanDerWaalsContact OD1-CD 3.29Å; N199-P224 WeakPolarHBondContact OD1-CD 3.2Å; N199-P224 VanDerWaalsContact OD1-CG 3.31Å; N199-P224 WeakPolarHBondContact OD1-CG 3.24Å; N199-W225 PolarHBondContact OD1-NE1 3.41Å; N199-W225 VanDerWaalsContact OD1-NE1 3.16Å; N199-F246 HydrophobicContact CB-CE1 4.45Å; N199-F246 VanDerWaalsContact O-CZ 3.25Å; N199-F246 WeakPolarHBondContact O-CZ 3.34Å; N199-F421 HydrophobicContact CB-CB 3.69Å; N199-F421 HydrophobicContact CB-CD1 4.17Å; N199-F421 HydrophobicContact CB-CD2 4.01Å; N199-F421 HydrophobicContact CB-CG 3.66Å; N199-R431 PolarHBondContact ND2-NH1 3.18Å; N199-R431 PolarHBondContact ND2-NH2 3.2Å
200	S	97.3	Very high	98.4	Very high	37 Å²	37	25.6 Å²	25.6	26%	0.259	14%	0.138	S	C	.	.			trans	-122.4	123	-176.5	-179.9	0	0	0	0	113.3	L197 D198 S202 I203 L204	L197-S200 WeakPolarHBondContact O-CB 3.36Å; L197-S200 PolarHBondContact O-N 3.35Å; D198-S200 PolarHBondContact O-N 3.25Å; S200-S202 PolarHBondContact O-N 3.08Å; S200-S202 PolarHBondContact OG-N 3.27Å; S200-I203 PolarHBondContact O-N 3.29Å; S200-I203 PolarHBondContact OG-N 2.9Å; S200-L204 PolarHBondContact O-N 3.38Å
201	L	98.5	Very high	98.4	Very high	6 Å²	6	25.8 Å²	25.8	3%	0.031	14%	0.139	C	C	.	.	H	α-helix	trans	-66.5	-27.8	171.3	-60.4	-178.1	0	0	0	112.1	I203 L204 R205 F246 V250 E253 L417 D419	L201-I203 VanDerWaalsContact C-N 3.34Å; L201-L204 HydrophobicContact CD2-CD2 4.29Å; L201-L204 WeakPolarHBondContact O-CB 3.36Å; L201-L204 PolarHBondContact O-N 2.97Å; L201-R205 WeakPolarHBondContact O-CG 3.47Å; L201-R205 PolarHBondContact O-N 3.09Å; L201-F246 HydrophobicContact CD2-CZ 4.4Å; L201-F246 HydrophobicContact CG-CZ 4.31Å; L201-V250 HydrophobicContact CD2-CB 4.44Å; L201-V250 HydrophobicContact CD2-CG2 3.9Å; L201-E253 HydrophobicContact CD2-CB 4.18Å; L201-E253 HydrophobicContact CD2-CG 4.48Å; L201-L417 HydrophobicContact CD1-CB 3.7Å; L201-D419 HydrophobicContact CD1-CB 4.36Å
202	S	98.4	Very high	98.4	Very high	59 Å²	59	25.8 Å²	25.8	41%	0.413	14%	0.14	S	C	.	.	H	α-helix	trans	-66	-37.6	173.9	-63.3	0	0	0	0	112	S200 R205 T206	S200-S202 PolarHBondContact O-N 3.08Å; S200-S202 PolarHBondContact OG-N 3.27Å; S202-R205 PolarHBondContact O-N 2.87Å; S202-R205 PolarHBondContact OG-NH2 3.5Å; S202-T206 WeakPolarHBondContact O-CB 3.46Å; S202-T206 PolarHBondContact O-N 3.32Å; S202-T206 PolarHBondContact O-OG1 3.46Å
203	I	98.7	Very high	98.4	Very high	25 Å²	25	26.5 Å²	26.5	13%	0.128	14%	0.142	C	C	.	.	H	α-helix	trans	-67.8	-42.2	174.9	-68.9	173.3	0	0	0	110.1	L150 L197 D198 S200 L201 R205 T206 F207	L150-I203 HydrophobicContact CD1-CD1 4.03Å; L150-I203 HydrophobicContact CD1-CG1 4.26Å; L150-I203 HydrophobicContact CD1-CG2 3.61Å; L150-I203 HydrophobicContact CD2-CD1 3.63Å; L150-I203 HydrophobicContact CD2-CG1 4.35Å; L150-I203 HydrophobicContact CG-CD1 4.34Å; L197-I203 HydrophobicContact CD2-CG2 4.26Å; L197-I203 WeakPolarHBondContact O-CD1 3.48Å; D198-I203 HydrophobicContact CB-CD1 4.06Å; S200-I203 PolarHBondContact O-N 3.29Å; S200-I203 PolarHBondContact OG-N 2.9Å; L201-I203 VanDerWaalsContact C-N 3.34Å; I203-R205 VanDerWaalsContact C-N 3.35Å; I203-R205 PolarHBondContact O-N 3.23Å; I203-T206 WeakPolarHBondContact O-CA 3.23Å; I203-T206 WeakPolarHBondContact O-CB 3.39Å; I203-T206 PolarHBondContact O-N 2.98Å; I203-T206 VanDerWaalsContact O-N 3.08Å; I203-F207 HydrophobicContact CG2-CD1 4.33Å; I203-F207 HydrophobicContact CG2-CD2 4.29Å; I203-F207 HydrophobicContact CG2-CE1 3.87Å; I203-F207 HydrophobicContact CG2-CE2 3.82Å; I203-F207 HydrophobicContact CG2-CZ 3.58Å; I203-F207 PolarHBondContact O-N 3.28Å
204	L	98.9	Very high	98.4	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.005	14%	0.142	C	C	.	.	H	α-helix	trans	-54.8	-48.8	174.3	176.4	66.1	0	0	0	112	L197 S200 L201 T206 F207 Y208 L215 V250 E253 M254 L257 M259	L197-L204 HydrophobicContact CD1-CB 4.19Å; L197-L204 HydrophobicContact CD1-CD1 4.25Å; L197-L204 HydrophobicContact CD2-CB 3.85Å; L197-L204 HydrophobicContact CD2-CD1 4.03Å; S200-L204 PolarHBondContact O-N 3.38Å; L201-L204 HydrophobicContact CD2-CD2 4.29Å; L201-L204 WeakPolarHBondContact O-CB 3.36Å; L201-L204 PolarHBondContact O-N 2.97Å; L204-T206 VanDerWaalsContact C-N 3.32Å; L204-T206 PolarHBondContact O-N 3.09Å; L204-F207 PolarHBondContact O-N 3.05Å; L204-Y208 PolarHBondContact O-N 3.18Å; L204-Y208 VanDerWaalsContact O-N 3.09Å; L204-L215 HydrophobicContact CD1-CD2 3.95Å; L204-V250 HydrophobicContact CD2-CG1 4.34Å; L204-E253 HydrophobicContact CD2-CB 3.97Å; L204-E253 HydrophobicContact CD2-CG 3.82Å; L204-M254 HydrophobicContact CD1-CG 4.06Å; L204-M254 HydrophobicContact CD2-CG 3.85Å; L204-L257 HydrophobicContact CD2-CD1 4.37Å; L204-L257 HydrophobicContact CG-CD1 4.07Å; L204-M259 HydrophobicContact CD1-CE 3.97Å; L204-M259 HydrophobicContact CD1-SD 3.62Å
205	R	98.8	Very high	98.4	Very high	37 Å²	37	26.6 Å²	26.6	14%	0.14	14%	0.143	C	C	.	.	H	α-helix	trans	-61.7	-39.7	175.5	-70.8	-170.3	-74.6	-94.9	11.6	112.5	L201 S202 I203 Y208 M209 E253 L257 L417 E418	L201-R205 WeakPolarHBondContact O-CG 3.47Å; L201-R205 PolarHBondContact O-N 3.09Å; S202-R205 PolarHBondContact O-N 2.87Å; S202-R205 PolarHBondContact OG-NH2 3.5Å; I203-R205 VanDerWaalsContact C-N 3.35Å; I203-R205 PolarHBondContact O-N 3.23Å; R205-Y208 WeakPolarHBondContact O-CB 3.3Å; R205-Y208 PolarHBondContact O-N 3.17Å; R205-M209 WeakPolarHBondContact O-CG 3.2Å; R205-M209 PolarHBondContact O-N 3.15Å; R205-E253 VanDerWaalsContact CD-OE1 3.24Å; R205-E253 WeakPolarHBondContact CD-OE1 3.48Å; R205-E253 VanDerWaalsContact CG-OE1 3.3Å; R205-E253 WeakPolarHBondContact CG-OE1 3.2Å; R205-E253 IonicContact CZ-OE1 2.81Å; R205-E253 IonicContact NH1-OE1 3.37Å; R205-E253 PolarHBondContact NH1-OE1 3.08Å; R205-E253 VanDerWaalsContact NH1-OE1 3.08Å; R205-L257 HydrophobicContact CG-CD1 4.06Å; R205-L257 HydrophobicContact CG-CD2 4.18Å; R205-L417 PolarHBondContact NH1-O 3.12Å; R205-E418 IonicContact CZ-OE1 3.82Å; R205-E418 IonicContact NH1-OE1 2.87Å; R205-E418 IonicContact NH2-OE1 2.74Å; R205-E418 PolarHBondContact NH2-OE1 3.36Å
206	T	98.9	Very high	98.4	Very high	65 Å²	65	26.5 Å²	26.5	40%	0.399	14%	0.142	S	C	.	.	H	α-helix	trans	-62.2	-44.2	177.3	-57.8	0	0	0	0	110.9	S202 I203 L204 Y208 M209 L210	S202-T206 WeakPolarHBondContact O-CB 3.46Å; S202-T206 PolarHBondContact O-N 3.32Å; S202-T206 PolarHBondContact O-OG1 3.46Å; I203-T206 WeakPolarHBondContact O-CA 3.23Å; I203-T206 WeakPolarHBondContact O-CB 3.39Å; I203-T206 PolarHBondContact O-N 2.98Å; I203-T206 VanDerWaalsContact O-N 3.08Å; L204-T206 VanDerWaalsContact C-N 3.32Å; L204-T206 PolarHBondContact O-N 3.09Å; T206-Y208 VanDerWaalsContact C-N 3.33Å; T206-Y208 PolarHBondContact O-N 2.91Å; T206-M209 WeakPolarHBondContact O-CB 3.32Å; T206-M209 PolarHBondContact O-N 2.67Å; T206-L210 HydrophobicContact CG2-CD1 4.14Å; T206-L210 WeakPolarHBondContact O-CG 3.39Å; T206-L210 PolarHBondContact O-N 3.01Å
207	F	98.9	Very high	98.4	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.009	14%	0.142	C	C	.	.	H	α-helix	trans	-59.2	-43.6	174.4	-72.1	-8.3	0	0	0	112	L150 T153 L154 I157 V191 S196 L197 I203 L204 M209 L210 G211 V212	L150-F207 HydrophobicContact CD1-CE1 3.87Å; L150-F207 HydrophobicContact CD1-CZ 3.86Å; T153-F207 HydrophobicContact CG2-CE1 4.06Å; T153-F207 HydrophobicContact CG2-CE2 3.88Å; T153-F207 HydrophobicContact CG2-CZ 3.52Å; L154-F207 HydrophobicContact CD2-CD1 4.31Å; L154-F207 HydrophobicContact CD2-CE1 3.9Å; L154-F207 HydrophobicContact CG-CE1 4.38Å; I157-F207 HydrophobicContact CD1-CD1 3.78Å; I157-F207 HydrophobicContact CD1-CE1 4.09Å; I157-F207 HydrophobicContact CD1-CG 4.24Å; V191-F207 HydrophobicContact CG1-CE2 4.29Å; V191-F207 HydrophobicContact CG2-CD2 4.16Å; S196-F207 WeakPolarHBondContact O-CZ 3.35Å; L197-F207 HydrophobicContact CD2-CD2 3.77Å; L197-F207 HydrophobicContact CD2-CE2 3.8Å; I203-F207 HydrophobicContact CG2-CD1 4.33Å; I203-F207 HydrophobicContact CG2-CD2 4.29Å; I203-F207 HydrophobicContact CG2-CE1 3.87Å; I203-F207 HydrophobicContact CG2-CE2 3.82Å; I203-F207 HydrophobicContact CG2-CZ 3.58Å; I203-F207 PolarHBondContact O-N 3.28Å; L204-F207 PolarHBondContact O-N 3.05Å; F207-M209 VanDerWaalsContact C-N 3.33Å; F207-M209 PolarHBondContact O-N 2.56Å; F207-L210 CarbonylContact O-C 3.56Å; F207-L210 PolarHBondContact O-N 2.96Å; F207-L210 VanDerWaalsContact O-N 3.1Å; F207-G211 PolarHBondContact O-N 3.3Å; F207-V212 HydrophobicContact CB-CB 4.08Å; F207-V212 HydrophobicContact CB-CG2 3.86Å; F207-V212 VanDerWaalsContact O-CB 3.28Å; F207-V212 WeakPolarHBondContact O-CB 3.23Å; F207-V212 VanDerWaalsContact O-CG2 3.29Å; F207-V212 WeakPolarHBondContact O-CG2 3.36Å; F207-V212 PolarHBondContact O-N 2.82Å
208	Y	98.9	Very high	98.5	Very high	33 Å²	33	26.5 Å²	26.5	13%	0.129	14%	0.142	C	C	.	.	H	α-helix	trans	-57.8	-44.9	175.3	-174.4	-91.8	0	0	0	112.5	L204 R205 T206 L210 G211 R213 L257 M259 Q408	L204-Y208 PolarHBondContact O-N 3.18Å; L204-Y208 VanDerWaalsContact O-N 3.09Å; R205-Y208 WeakPolarHBondContact O-CB 3.3Å; R205-Y208 PolarHBondContact O-N 3.17Å; T206-Y208 VanDerWaalsContact C-N 3.33Å; T206-Y208 PolarHBondContact O-N 2.91Å; Y208-L210 VanDerWaalsContact C-N 3.26Å; Y208-L210 PolarHBondContact O-N 2.87Å; Y208-G211 PolarHBondContact O-N 3.05Å; Y208-R213 PolarHBondContact O-NH1 2.86Å; Y208-L257 HydrophobicContact CD1-CD2 4.12Å; Y208-L257 HydrophobicContact CD2-CB 4.05Å; Y208-L257 HydrophobicContact CE2-CB 4.27Å; Y208-L257 WeakPolarHBondContact CE2-O 3.39Å; Y208-L257 HydrophobicContact CG-CB 4.32Å; Y208-L257 HydrophobicContact CG-CD2 4.13Å; Y208-L257 PolarHBondContact OH-O 3.22Å; Y208-M259 HydrophobicContact CD2-CB 4.18Å; Y208-M259 HydrophobicContact CD2-CE 3.89Å; Y208-M259 HydrophobicContact CG-CE 4.28Å; Y208-Q408 PolarHBondContact OH-NE2 3.31Å; Y208-Q408 VanDerWaalsContact OH-NE2 3.08Å; Y208-Q408 PolarHBondContact OH-OE1 2.56Å
209	M	98.8	Very high	98.6	Very high	159 Å²	159	25.4 Å²	25.4	78%	0.783	14%	0.135	S	C	*	.	H	α-helix	trans	-62.8	-32.7	176.3	-69.4	177.6	63.9	0	0	112.6	R205 T206 F207 G211	R205-M209 WeakPolarHBondContact O-CG 3.2Å; R205-M209 PolarHBondContact O-N 3.15Å; T206-M209 WeakPolarHBondContact O-CB 3.32Å; T206-M209 PolarHBondContact O-N 2.67Å; F207-M209 VanDerWaalsContact C-N 3.33Å; F207-M209 PolarHBondContact O-N 2.56Å; M209-G211 PolarHBondContact O-N 3.06Å
210	L	98.9	Very high	98.6	Very high	55 Å²	55	26.4 Å²	26.4	29%	0.288	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	1.5	175.8	-64.9	172.5	0	0	0	113.6	L154 I157 R161 T206 F207 Y208	L154-L210 HydrophobicContact CD2-CD1 3.46Å; L154-L210 VanDerWaalsContact CD2-CD1 3.46Å; I157-L210 HydrophobicContact CG2-CB 3.95Å; R161-L210 PolarHBondContact NH1-O 3.46Å; T206-L210 HydrophobicContact CG2-CD1 4.14Å; T206-L210 WeakPolarHBondContact O-CG 3.39Å; T206-L210 PolarHBondContact O-N 3.01Å; F207-L210 CarbonylContact O-C 3.56Å; F207-L210 PolarHBondContact O-N 2.96Å; F207-L210 VanDerWaalsContact O-N 3.1Å; Y208-L210 VanDerWaalsContact C-N 3.26Å; Y208-L210 PolarHBondContact O-N 2.87Å
211	G	98.8	Very high	98.7	Very high	3 Å²	3	24.8 Å²	24.8	3%	0.031	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	102.4	6.3	173	0	0	0	0	0	115.1	F207 Y208 M209	F207-G211 PolarHBondContact O-N 3.3Å; Y208-G211 PolarHBondContact O-N 3.05Å; M209-G211 PolarHBondContact O-N 3.06Å
212	V	98.9	Very high	98.6	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.006	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	134.5	175.1	179.5	0	0	0	0	110.1	I157 I189 V191 F207 Y214 M259	I157-V212 HydrophobicContact CD1-CG2 3.73Å; I157-V212 HydrophobicContact CG1-CG2 4.18Å; I189-V212 HydrophobicContact CB-CG2 4.44Å; I189-V212 HydrophobicContact CG2-CG2 3.91Å; I189-V212 WeakPolarHBondContact O-CA 3.47Å; V191-V212 HydrophobicContact CB-CG1 4.22Å; V191-V212 HydrophobicContact CG2-CB 4.35Å; V191-V212 HydrophobicContact CG2-CG1 3.72Å; V191-V212 HydrophobicContact CG2-CG2 3.64Å; F207-V212 HydrophobicContact CB-CB 4.08Å; F207-V212 HydrophobicContact CB-CG2 3.86Å; F207-V212 VanDerWaalsContact O-CB 3.28Å; F207-V212 WeakPolarHBondContact O-CB 3.23Å; F207-V212 VanDerWaalsContact O-CG2 3.29Å; F207-V212 WeakPolarHBondContact O-CG2 3.36Å; F207-V212 PolarHBondContact O-N 2.82Å; V212-Y214 WeakPolarHBondContact CG1-O 3.44Å; V212-M259 HydrophobicContact CB-CE 4.3Å; V212-M259 HydrophobicContact CG1-CE 4.09Å; V212-M259 HydrophobicContact CG1-SD 4.4Å
213	R	98.9	Very high	98.5	Very high	19 Å²	19	22.1 Å²	22.1	7%	0.072	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	-11	-177.4	-71.4	-63.1	177.5	-88.6	5.4	115.6	F135 T174 I189 Y208 M260 F401	F135-R213 HydrophobicContact CE1-CB 4.19Å; T174-R213 VanDerWaalsContact CB-NH2 3.33Å; T174-R213 PolarHBondContact O-NE 3.14Å; T174-R213 PolarHBondContact O-NH2 3.47Å; T174-R213 PolarHBondContact OG1-NH2 3.08Å; I189-R213 PolarHBondContact O-N 3.16Å; Y208-R213 PolarHBondContact O-NH1 2.86Å; R213-M260 HydrophobicContact CB-CE 4.37Å; R213-M260 WeakPolarHBondContact O-CB 3.24Å; R213-M260 WeakPolarHBondContact O-CE 2.99Å; R213-M260 PolarHBondContact O-N 3.28Å; R213-F401 HydrophobicContact CB-CZ 4.11Å; R213-F401 HydrophobicContact CG-CE2 4.43Å; R213-F401 HydrophobicContact CG-CZ 3.86Å
214	Y	98.9	Very high	98.4	Very high	1 Å²	1	21.1 Å²	21.1	0%	0.004	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	158.7	157.8	72.3	-112.3	0	0	0	111.9	G92 H93 F135 G190 V191 V212 M260 D262 I283	G92-Y214 WeakPolarHBondContact O-CE1 3.38Å; G92-Y214 PolarHBondContact O-OH 3Å; G92-Y214 VanDerWaalsContact O-OH 3.13Å; H93-Y214 AromaticContact ND1-CZ 3.98Å; H93-Y214 PolarHBondContact ND1-OH 3.14Å; F135-Y214 HydrophobicContact CB-CE1 3.65Å; F135-Y214 AromaticContact CD1-CD1 3.39Å; F135-Y214 HydrophobicContact CD1-CD1 3.39Å; F135-Y214 AromaticContact CD1-CE1 3.37Å; F135-Y214 HydrophobicContact CD1-CE1 3.37Å; F135-Y214 AromaticContact CE1-CD1 3.75Å; F135-Y214 HydrophobicContact CE1-CD1 3.75Å; F135-Y214 HydrophobicContact CE1-CE1 4.19Å; F135-Y214 HydrophobicContact CG-CD1 4.09Å; F135-Y214 AromaticContact CG-CE1 3.67Å; F135-Y214 HydrophobicContact CG-CE1 3.67Å; G190-Y214 VanDerWaalsContact CA-CE2 3.4Å; G190-Y214 VanDerWaalsContact CA-CZ 3.43Å; V191-Y214 PolarHBondContact N-O 3.35Å; V212-Y214 WeakPolarHBondContact CG1-O 3.44Å; Y214-M260 WeakPolarHBondContact CA-O 3.28Å; Y214-M260 WeakPolarHBondContact CB-O 3.46Å; Y214-D262 HydrophobicContact CD2-CB 3.93Å; Y214-D262 HydrophobicContact CG-CB 4.43Å; Y214-I283 HydrophobicContact CD1-CD1 3.9Å; Y214-I283 HydrophobicContact CE1-CD1 4.48Å; Y214-I283 HydrophobicContact CG-CD1 4Å
215	L	98.9	Very high	98.3	Very high	1 Å²	1	21 Å²	21	1%	0.005	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	125.2	166.5	173.6	75.3	0	0	0	109.3	V191 L197 L204 M254 M259 M260 D262	V191-L215 HydrophobicContact CB-CD1 3.77Å; V191-L215 HydrophobicContact CG1-CD1 3.57Å; V191-L215 WeakPolarHBondContact O-CA 3.03Å; L197-L215 HydrophobicContact CD1-CD2 3.6Å; L197-L215 HydrophobicContact CD2-CD2 4.15Å; L197-L215 HydrophobicContact CG-CD2 3.96Å; L204-L215 HydrophobicContact CD1-CD2 3.95Å; L215-M254 HydrophobicContact CB-CE 3.66Å; L215-M254 HydrophobicContact CB-SD 4.35Å; L215-M254 HydrophobicContact CD2-SD 4.14Å; L215-M259 HydrophobicContact CB-SD 3.86Å; L215-M260 PolarHBondContact N-O 2.95Å; L215-D262 PolarHBondContact O-N 3.4Å
216	T	98.9	Very high	98.3	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	119.7	168.3	-41.1	0	0	0	0	108.7	V191 E192 G193 G194 T218 D262 S264	V191-T216 PolarHBondContact O-N 2.78Å; V191-T216 PolarHBondContact O-OG1 2.69Å; E192-T216 HydrophobicContact CG-CG2 4.39Å; G193-T216 CarbonylContact C-O 3.43Å; G193-T216 VanDerWaalsContact C-O 3.29Å; G193-T216 WeakPolarHBondContact CA-O 2.99Å; G193-T216 PolarHBondContact N-O 3.02Å; G193-T216 VanDerWaalsContact N-O 3.11Å; G194-T216 PolarHBondContact N-O 2.73Å; G194-T216 VanDerWaalsContact N-O 3.09Å; T216-T218 VanDerWaalsContact CG2-O 3.26Å; T216-T218 WeakPolarHBondContact CG2-O 3.44Å; T216-T218 PolarHBondContact O-N 3.4Å; T216-D262 WeakPolarHBondContact CA-O 3.43Å; T216-D262 WeakPolarHBondContact CB-OD2 3Å; T216-D262 HydrophobicContact CG2-CB 4.48Å; T216-D262 WeakPolarHBondContact CG2-OD2 3.05Å; T216-D262 PolarHBondContact OG1-OD2 2.97Å; T216-S264 WeakPolarHBondContact CG2-O 3.49Å
217	L	98.9	Very high	98.2	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.084	C	C	.	.	S	Bend	trans	-62.1	-31	-168.6	-61.2	-176.7	0	0	0	113.2	G194 W225 L243 V251 M254 V261 D262 L263 V266 V270 A274	G194-L217 VanDerWaalsContact CA-O 3.31Å; G194-L217 WeakPolarHBondContact CA-O 3.45Å; G194-L217 PolarHBondContact N-O 2.91Å; G194-L217 VanDerWaalsContact N-O 3.12Å; L217-W225 HydrophobicContact CB-CH2 4.48Å; L217-W225 HydrophobicContact CB-CZ3 4.18Å; L217-W225 HydrophobicContact CD2-CH2 4.35Å; L217-W225 HydrophobicContact CD2-CZ3 4.11Å; L217-W225 WeakPolarHBondContact O-CH2 3.28Å; L217-L243 HydrophobicContact CD1-CD1 4.42Å; L217-V251 HydrophobicContact CD1-CG2 4.24Å; L217-V251 HydrophobicContact CD2-CG2 4.45Å; L217-M254 HydrophobicContact CD2-SD 3.99Å; L217-V261 HydrophobicContact CD1-CG1 4Å; L217-V261 HydrophobicContact CD2-CG1 4.08Å; L217-V261 HydrophobicContact CG-CG1 4.08Å; L217-D262 PolarHBondContact N-O 2.79Å; L217-D262 VanDerWaalsContact N-O 3.1Å; L217-L263 HydrophobicContact CD1-CD2 3.73Å; L217-L263 HydrophobicContact CG-CD2 4.37Å; L217-V266 HydrophobicContact CB-CG1 3.83Å; L217-V270 HydrophobicContact CD1-CG1 3.99Å; L217-A274 HydrophobicContact CD1-CB 4.27Å
218	T	98.8	Very high	98.2	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.083	C	C	.	.			trans	-140	161	174.1	61	0	0	0	0	109.6	T216 T223 A226 H265 V266	T216-T218 VanDerWaalsContact CG2-O 3.26Å; T216-T218 WeakPolarHBondContact CG2-O 3.44Å; T216-T218 PolarHBondContact O-N 3.4Å; T218-T223 HydrophobicContact CG2-CG2 4.45Å; T218-A226 HydrophobicContact CG2-CB 3.56Å; T218-A226 WeakPolarHBondContact CG2-O 3.41Å; T218-H265 VanDerWaalsContact O-CB 3.26Å; T218-H265 WeakPolarHBondContact O-CB 3.45Å; T218-H265 PolarHBondContact OG1-O 2.81Å; T218-V266 WeakPolarHBondContact OG1-CA 2.86Å
219	H	98.3	Very high	98.1	Very high	20 Å²	20	15.8 Å²	15.8	9%	0.093	8%	0.082	C	C	.	.	S	Bend	trans	-103.3	-138.7	158.7	-177.5	-110.6	0	0	0	107.9	Y139 E192 C221 S228 H265	Y139-H219 HydrophobicContact CE2-CB 4.46Å; Y139-H219 AromaticContact CE2-CD2 3.77Å; Y139-H219 AromaticContact CE2-CE1 3.47Å; Y139-H219 VanDerWaalsContact CE2-CE1 3.47Å; Y139-H219 WeakPolarHBondContact CE2-CE1 3.41Å; Y139-H219 AromaticContact CE2-CG 3.63Å; Y139-H219 AromaticContact CE2-ND1 3.44Å; Y139-H219 WeakPolarHBondContact CE2-ND1 3.46Å; Y139-H219 AromaticContact CE2-NE2 3.73Å; Y139-H219 AromaticContact CZ-CE1 3.65Å; Y139-H219 AromaticContact CZ-ND1 3.95Å; Y139-H219 PolarHBondContact OH-CE1 3.35Å; Y139-H219 VanDerWaalsContact OH-CE1 3.25Å; E192-H219 IonicContact OE1-CD2 3.54Å; E192-H219 PolarHBondContact OE1-CD2 2.89Å; E192-H219 IonicContact OE1-NE2 3.62Å; H219-C221 PolarHBondContact O-N 3.03Å; H219-S228 WeakPolarHBondContact O-CB 3.34Å; H219-S228 PolarHBondContact O-OG 2.84Å; H219-H265 AromaticContact CD2-CE1 3.34Å; H219-H265 PolarHBondContact CD2-CE1 3.32Å; H219-H265 AromaticContact CD2-ND1 3.71Å; H219-H265 AromaticContact CD2-NE2 3.62Å; H219-H265 AromaticContact NE2-CE1 3.4Å; H219-H265 PolarHBondContact NE2-CE1 2.9Å; H219-H265 AromaticContact NE2-NE2 3.94Å
220	T	97.3	Very high	97.9	Very high	31 Å²	31	9.3 Å²	9.3	19%	0.19	5%	0.053	C	C	.	.	S	Bend	trans	-72.2	-1.1	175.1	54.5	0	0	0	0	114.7	C142 A230 H234	C142-T220 PolarHBondContact SG-OG1 2.96Å; T220-A230 HydrophobicContact CG2-CB 4.22Å; T220-A230 WeakPolarHBondContact O-CB 3.15Å; T220-H234 PolarHBondContact O-CD2 3Å; T220-H234 PolarHBondContact OG1-CD2 2.95Å; T220-H234 PolarHBondContact OG1-NE2 3.28Å
221	C	97.5	Very high	96.9	Very high	2 Å²	2	12.7 Å²	12.7	1%	0.014	7%	0.066	C	C	.	.	S	Bend	trans	-119.7	148.5	177.9	48.3	0	0	0	0	110.8	C142 H219 H234 F236	C142-C221 HydrophobicContact CB-CB 3.65Å; C142-C221 WeakPolarHBondContact CB-SG 3.49Å; C142-C221 WeakPolarHBondContact SG-CB 3.46Å; C142-C221 PolarHBondContact SG-N 2.99Å; C142-C221 CovalentContact SG-SG 2.04Å; C142-C221 PolarHBondContact SG-SG 3.46Å; H219-C221 PolarHBondContact O-N 3.03Å; C221-H234 HydrophobicContact CB-CB 4.04Å; C221-F236 HydrophobicContact CB-CB 4.47Å; C221-F236 HydrophobicContact CB-CD2 4.16Å
222	N	97.4	Very high	96	Very high	9 Å²	9	15.6 Å²	15.6	5%	0.048	10%	0.096	C	C	.	.			trans	-65.9	150.3	168.1	-60.3	-12.7	0	0	0	109.8	Q145 A226 S228 F236 Y237	Q145-N222 PolarHBondContact NE2-O 3.39Å; Q145-N222 PolarHBondContact OE1-O 3.4Å; N222-A226 WeakPolarHBondContact CA-O 3.46Å; N222-S228 PolarHBondContact OD1-N 2.81Å; N222-F236 WeakPolarHBondContact CB-O 3.39Å; N222-Y237 PolarHBondContact ND2-O 3.44Å
223	T	96.9	Very high	95.5	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.123	C	C	.	.			trans	-97.6	169.5	158.4	70.6	0	0	0	0	108.7	H195 T218 W225 A226	H195-T223 HydrophobicContact CB-CG2 4.42Å; T218-T223 HydrophobicContact CG2-CG2 4.45Å; T223-W225 HydrophobicContact CG2-CZ2 4.21Å; T223-W225 PolarHBondContact O-N 3.2Å; T223-W225 VanDerWaalsContact OG1-CD2 3.27Å; T223-W225 PolarHBondContact OG1-N 3.11Å; T223-A226 PolarHBondContact N-O 2.91Å; T223-A226 PolarHBondContact OG1-N 3Å
224	P	95.6	Very high	95.2	Very high	4 Å²	4	20.8 Å²	20.8	3%	0.026	13%	0.127	C	C	.	.	S	Bend	trans	-58.9	-11.5	171.7	-24.8	34.3	0	0	0	114.8	N199 Y237 I240 F421 L426	N199-P224 VanDerWaalsContact OD1-CD 3.29Å; N199-P224 WeakPolarHBondContact OD1-CD 3.2Å; N199-P224 VanDerWaalsContact OD1-CG 3.31Å; N199-P224 WeakPolarHBondContact OD1-CG 3.24Å; P224-Y237 HydrophobicContact CB-CD1 4.18Å; P224-Y237 HydrophobicContact CB-CE1 4.15Å; P224-Y237 HydrophobicContact CB-CG 4.49Å; P224-Y237 HydrophobicContact CG-CD1 3.95Å; P224-Y237 HydrophobicContact CG-CD2 3.93Å; P224-Y237 HydrophobicContact CG-CE1 3.6Å; P224-Y237 HydrophobicContact CG-CE2 3.6Å; P224-Y237 HydrophobicContact CG-CG 4.11Å; P224-Y237 VanDerWaalsContact CG-CZ 3.42Å; P224-I240 WeakPolarHBondContact O-CD1 3.42Å; P224-F421 HydrophobicContact CB-CE1 3.93Å; P224-F421 HydrophobicContact CB-CE2 3.68Å; P224-F421 HydrophobicContact CB-CZ 3.23Å; P224-F421 HydrophobicContact CG-CZ 4.29Å; P224-L426 HydrophobicContact CB-CD2 4.25Å; P224-L426 HydrophobicContact CG-CD2 3.75Å
225	W	97.3	Very high	94.8	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	16%	0.163	C	C	.	.	S	Bend	trans	-129.2	-5.5	-171.7	51	-95.1	0	0	0	114.9	L197 N199 L217 T223 L243 T244 F246 V250 F421	L197-W225 HydrophobicContact CD1-CH2 4.47Å; L197-W225 HydrophobicContact CD1-CZ2 4.03Å; N199-W225 PolarHBondContact OD1-NE1 3.41Å; N199-W225 VanDerWaalsContact OD1-NE1 3.16Å; L217-W225 HydrophobicContact CB-CH2 4.48Å; L217-W225 HydrophobicContact CB-CZ3 4.18Å; L217-W225 HydrophobicContact CD2-CH2 4.35Å; L217-W225 HydrophobicContact CD2-CZ3 4.11Å; L217-W225 WeakPolarHBondContact O-CH2 3.28Å; T223-W225 HydrophobicContact CG2-CZ2 4.21Å; T223-W225 PolarHBondContact O-N 3.2Å; T223-W225 VanDerWaalsContact OG1-CD2 3.27Å; T223-W225 PolarHBondContact OG1-N 3.11Å; W225-L243 HydrophobicContact CE3-CD1 4.36Å; W225-T244 WeakPolarHBondContact CA-OG1 3.3Å; W225-T244 WeakPolarHBondContact CB-OG1 3.46Å; W225-T244 PolarHBondContact O-N 2.98Å; W225-T244 PolarHBondContact O-OG1 3.16Å; W225-F246 HydrophobicContact CB-CB 4.35Å; W225-F246 HydrophobicContact CB-CD1 3.8Å; W225-F246 AromaticContact CD1-CD1 3.79Å; W225-F246 AromaticContact CD1-CE1 3.95Å; W225-F246 AromaticContact CG-CD1 3.75Å; W225-F246 HydrophobicContact CG-CD1 3.75Å; W225-F246 HydrophobicContact CG-CE1 4.25Å; W225-V250 HydrophobicContact CD2-CG2 4.3Å; W225-V250 HydrophobicContact CE3-CG2 4.36Å; W225-V250 HydrophobicContact CH2-CG1 4.03Å; W225-V250 HydrophobicContact CZ3-CB 4.41Å; W225-V250 HydrophobicContact CZ3-CG1 4.15Å; W225-F421 HydrophobicContact CB-CE2 4.35Å
226	A	98.1	Very high	94.4	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	17%	0.171	C	C	.	.	B	Isolated β-bridge	trans	-147.6	136.4	175.6	0	0	0	0	0	112.3	T218 N222 T223 L243 V270	T218-A226 HydrophobicContact CG2-CB 3.56Å; T218-A226 WeakPolarHBondContact CG2-O 3.41Å; N222-A226 WeakPolarHBondContact CA-O 3.46Å; T223-A226 PolarHBondContact N-O 2.91Å; T223-A226 PolarHBondContact OG1-N 3Å; A226-L243 HydrophobicContact CB-CD1 3.99Å; A226-V270 HydrophobicContact CB-CG2 4.3Å
227	E	98.1	Very high	94.1	Very high	12 Å²	12	29.3 Å²	29.3	6%	0.056	18%	0.177	C	C	.	.			trans	-86.2	130.6	176.1	-173.7	-171.4	-130.7	0	0	112.6	K231 G242 S267 V270	E227-K231 WeakPolarHBondContact OE1-CE 3.38Å; E227-K231 IonicContact OE1-NZ 2.83Å; E227-K231 PolarHBondContact OE1-NZ 3.15Å; E227-K231 IonicContact OE2-NZ 2.75Å; E227-K231 PolarHBondContact OE2-NZ 3.46Å; E227-K231 VanDerWaalsContact OE2-NZ 3.16Å; E227-G242 PolarHBondContact N-O 3.17Å; E227-G242 VanDerWaalsContact N-O 3.07Å; E227-G242 PolarHBondContact OE2-N 3.12Å; E227-S267 PolarHBondContact O-N 3.02Å; E227-S267 VanDerWaalsContact OE2-CB 3.22Å; E227-S267 WeakPolarHBondContact OE2-CB 3.5Å; E227-S267 PolarHBondContact OE2-OG 3.28Å; E227-V270 HydrophobicContact CB-CG2 4Å; E227-V270 VanDerWaalsContact O-CG2 3.27Å; E227-V270 WeakPolarHBondContact O-CG2 3.22Å
228	S	98.3	Very high	93.7	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-80	153.8	174.7	176.9	0	0	0	0	112.2	H219 N222 A230 H265	H219-S228 WeakPolarHBondContact O-CB 3.34Å; H219-S228 PolarHBondContact O-OG 2.84Å; N222-S228 PolarHBondContact OD1-N 2.81Å; S228-A230 PolarHBondContact O-N 3.45Å; S228-A230 PolarHBondContact OG-N 2.99Å; S228-A230 VanDerWaalsContact OG-N 3.11Å; S228-H265 PolarHBondContact OG-O 3.37Å
229	S	96.8	Very high	93.3	Very high	15 Å²	15	40.5 Å²	40.5	11%	0.105	24%	0.237	C	C	.	.	S	Bend	trans	-65.5	-27.1	169.2	67	0	0	0	0	112.4	K231 H265 V266 A296	S229-K231 PolarHBondContact O-N 3.03Å; S229-H265 WeakPolarHBondContact CB-O 3.49Å; S229-H265 PolarHBondContact N-O 2.87Å; S229-H265 PolarHBondContact OG-O 2.99Å; S229-H265 VanDerWaalsContact OG-O 3.12Å; S229-V266 WeakPolarHBondContact CB-O 3.36Å; S229-A296 WeakPolarHBondContact CB-O 2.98Å
230	A	93.5	Very high	92.9	Very high	22 Å²	22	40.8 Å²	40.8	18%	0.182	24%	0.239	C	C	.	.	S	Bend	trans	-87.3	52.6	-174.6	0	0	0	0	0	112.2	T220 S228 G232 V233	T220-A230 HydrophobicContact CG2-CB 4.22Å; T220-A230 WeakPolarHBondContact O-CB 3.15Å; S228-A230 PolarHBondContact O-N 3.45Å; S228-A230 PolarHBondContact OG-N 2.99Å; S228-A230 VanDerWaalsContact OG-N 3.11Å; A230-G232 PolarHBondContact O-N 2.81Å; A230-V233 HydrophobicContact CB-CB 4.36Å; A230-V233 HydrophobicContact CB-CG2 3.95Å; A230-V233 WeakPolarHBondContact O-CB 3.43Å; A230-V233 WeakPolarHBondContact O-CG2 3.43Å; A230-V233 PolarHBondContact O-N 3.42Å
231	K	78.5	Confident	92.8	Very high	126 Å²	126	43.7 Å²	43.7	55%	0.548	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	131.1	-176.4	-58.7	-167.4	-169.5	-161.4	0	111.2	E227 S229 V233	E227-K231 WeakPolarHBondContact OE1-CE 3.38Å; E227-K231 IonicContact OE1-NZ 2.83Å; E227-K231 PolarHBondContact OE1-NZ 3.15Å; E227-K231 IonicContact OE2-NZ 2.75Å; E227-K231 PolarHBondContact OE2-NZ 3.46Å; E227-K231 VanDerWaalsContact OE2-NZ 3.16Å; S229-K231 PolarHBondContact O-N 3.03Å; K231-V233 VanDerWaalsContact C-N 3.32Å; K231-V233 PolarHBondContact O-N 2.95Å
232	G	80.4	Confident	92.7	Very high	65 Å²	65	44 Å²	44	67%	0.67	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.5	-3.4	176.6	0	0	0	0	0	115.7	A230	A230-G232 PolarHBondContact O-N 2.81Å
233	V	89.2	Confident	92.8	Very high	93 Å²	93	44.3 Å²	44.3	56%	0.564	27%	0.265	S	S	*	.	S	Bend	trans	-71	-38.1	175.7	176.1	0	0	0	0	111.7	A230 K231	A230-V233 HydrophobicContact CB-CB 4.36Å; A230-V233 HydrophobicContact CB-CG2 3.95Å; A230-V233 WeakPolarHBondContact O-CB 3.43Å; A230-V233 WeakPolarHBondContact O-CG2 3.43Å; A230-V233 PolarHBondContact O-N 3.42Å; K231-V233 VanDerWaalsContact C-N 3.32Å; K231-V233 PolarHBondContact O-N 2.95Å
234	H	91.5	Very high	92.8	Very high	36 Å²	36	46.1 Å²	46.1	17%	0.167	28%	0.276	C	S	.	.	S	Bend	trans	-123.6	153.9	174.6	-59.2	-75.4	0	0	0	111	T220 C221 F236 N238	T220-H234 PolarHBondContact O-CD2 3Å; T220-H234 PolarHBondContact OG1-CD2 2.95Å; T220-H234 PolarHBondContact OG1-NE2 3.28Å; C221-H234 HydrophobicContact CB-CB 4.04Å; H234-F236 VanDerWaalsContact C-N 3.27Å; H234-F236 HydrophobicContact CB-CD2 3.79Å; H234-F236 HydrophobicContact CB-CE2 4.43Å; H234-F236 PolarHBondContact O-N 2.73Å; H234-N238 PolarHBondContact O-OD1 3.33Å
235	S	90.9	Very high	92.9	Very high	107 Å²	107	48.3 Å²	48.3	75%	0.748	30%	0.3	S	S	*	.			trans	-90.9	35.1	179	62.6	0	0	0	0	113.3
236	F	90.1	Very high	92.9	Very high	43 Å²	43	49.2 Å²	49.2	19%	0.189	30%	0.304	C	S	.	.	S	Bend	trans	-101.7	125.8	178.6	-69.4	-70	0	0	0	110	C142 Q145 C221 N222 H234 N238	C142-F236 VanDerWaalsContact O-CE2 3.23Å; C142-F236 WeakPolarHBondContact O-CE2 3.48Å; Q145-F236 HydrophobicContact CB-CE1 4.33Å; Q145-F236 HydrophobicContact CB-CZ 4.39Å; Q145-F236 HydrophobicContact CG-CD1 4.41Å; C221-F236 HydrophobicContact CB-CB 4.47Å; C221-F236 HydrophobicContact CB-CD2 4.16Å; N222-F236 WeakPolarHBondContact CB-O 3.39Å; H234-F236 VanDerWaalsContact C-N 3.27Å; H234-F236 HydrophobicContact CB-CD2 3.79Å; H234-F236 HydrophobicContact CB-CE2 4.43Å; H234-F236 PolarHBondContact O-N 2.73Å; F236-N238 PolarHBondContact O-N 3.44Å; F236-N238 PolarHBondContact O-OD1 2.78Å
237	Y	92.1	Very high	92.9	Very high	31 Å²	31	49.2 Å²	49.2	12%	0.122	30%	0.304	C	S	.	.	S	Bend	trans	48.8	39.2	169.1	-53.6	-70.8	0	0	0	114.9	Q145 D146 N222 P224 N239 I240 L426	Q145-Y237 HydrophobicContact CG-CE2 4.28Å; D146-Y237 PolarHBondContact OD1-OH 3.22Å; D146-Y237 VanDerWaalsContact OD1-OH 3.09Å; D146-Y237 WeakPolarHBondContact OD2-CE2 3.45Å; D146-Y237 VanDerWaalsContact OD2-CZ 3.29Å; D146-Y237 PolarHBondContact OD2-OH 2.93Å; N222-Y237 PolarHBondContact ND2-O 3.44Å; P224-Y237 HydrophobicContact CB-CD1 4.18Å; P224-Y237 HydrophobicContact CB-CE1 4.15Å; P224-Y237 HydrophobicContact CB-CG 4.49Å; P224-Y237 HydrophobicContact CG-CD1 3.95Å; P224-Y237 HydrophobicContact CG-CD2 3.93Å; P224-Y237 HydrophobicContact CG-CE1 3.6Å; P224-Y237 HydrophobicContact CG-CE2 3.6Å; P224-Y237 HydrophobicContact CG-CG 4.11Å; P224-Y237 VanDerWaalsContact CG-CZ 3.42Å; Y237-N239 PolarHBondContact O-N 2.89Å; Y237-N239 VanDerWaalsContact O-N 3.1Å; Y237-I240 WeakPolarHBondContact O-CB 3.29Å; Y237-I240 PolarHBondContact O-N 3.44Å; Y237-L426 HydrophobicContact CE1-CD2 4.21Å; Y237-L426 WeakPolarHBondContact OH-CD2 3.48Å
238	N	91	Very high	93	Very high	95 Å²	95	51.5 Å²	51.5	51%	0.508	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-13.9	-177.5	-75.1	-19.4	0	0	0	114.2	H234 F236 I240	H234-N238 PolarHBondContact O-OD1 3.33Å; F236-N238 PolarHBondContact O-N 3.44Å; F236-N238 PolarHBondContact O-OD1 2.78Å; N238-I240 VanDerWaalsContact C-N 3.33Å
239	N	89.9	Confident	93	Very high	139 Å²	139	55.3 Å²	55.3	74%	0.743	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-9.8	174.4	62.8	-49.7	0	0	0	113.3	Y237	Y237-N239 PolarHBondContact O-N 2.89Å; Y237-N239 VanDerWaalsContact O-N 3.1Å
240	I	91.6	Very high	93.1	Very high	27 Å²	27	54.6 Å²	54.6	14%	0.138	33%	0.326	C	S	.	.			trans	-79.8	137	175.8	-60.8	-59.5	0	0	0	109.6	P224 Y237 N238 T244	P224-I240 WeakPolarHBondContact O-CD1 3.42Å; Y237-I240 WeakPolarHBondContact O-CB 3.29Å; Y237-I240 PolarHBondContact O-N 3.44Å; N238-I240 VanDerWaalsContact C-N 3.33Å; I240-T244 HydrophobicContact CD1-CG2 4.37Å; I240-T244 HydrophobicContact CG2-CG2 4.04Å
241	S	93.5	Very high	93.3	Very high	91 Å²	91	53.6 Å²	53.6	64%	0.636	32%	0.318	S	S	*	.			trans	-131.7	133.5	175.8	-169.5	0	0	0	0	110.2
242	G	97.1	Very high	94.3	Very high	9 Å²	9	49.1 Å²	49.1	9%	0.093	30%	0.304	C	S	.	.	S	Bend	trans	62.8	-151.7	-177.5	0	0	0	0	0	113.7	E227 V270	E227-G242 PolarHBondContact N-O 3.17Å; E227-G242 VanDerWaalsContact N-O 3.07Å; E227-G242 PolarHBondContact OE2-N 3.12Å; G242-V270 WeakPolarHBondContact O-CG2 3.32Å
243	L	98.4	Very high	95.2	Very high	15 Å²	15	46 Å²	46	8%	0.079	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-103.7	122.9	178	-171.4	71.8	0	0	0	108.7	L217 W225 A226 E248 V251 V270 R273 A274 V277	L217-L243 HydrophobicContact CD1-CD1 4.42Å; W225-L243 HydrophobicContact CE3-CD1 4.36Å; A226-L243 HydrophobicContact CB-CD1 3.99Å; L243-E248 HydrophobicContact CD2-CG 4.09Å; L243-E248 HydrophobicContact CG-CG 4.47Å; L243-V251 HydrophobicContact CD2-CG2 4.08Å; L243-V270 HydrophobicContact CB-CG1 4.47Å; L243-V270 HydrophobicContact CB-CG2 4.39Å; L243-V270 HydrophobicContact CD1-CG1 4.25Å; L243-R273 HydrophobicContact CB-CB 4Å; L243-R273 HydrophobicContact CB-CG 3.93Å; L243-R273 HydrophobicContact CD2-CB 4.45Å; L243-R273 HydrophobicContact CD2-CG 4.13Å; L243-A274 HydrophobicContact CD2-CB 4.44Å; L243-V277 HydrophobicContact CD2-CG2 4.44Å
244	T	97.6	Very high	95.6	Very high	38 Å²	38	41.6 Å²	41.6	23%	0.233	25%	0.245	C	C	.	.			trans	-79.5	171.6	-177.4	74.7	0	0	0	0	111.6	W225 I240 F246 G247 E248	W225-T244 WeakPolarHBondContact CA-OG1 3.3Å; W225-T244 WeakPolarHBondContact CB-OG1 3.46Å; W225-T244 PolarHBondContact O-N 2.98Å; W225-T244 PolarHBondContact O-OG1 3.16Å; I240-T244 HydrophobicContact CD1-CG2 4.37Å; I240-T244 HydrophobicContact CG2-CG2 4.04Å; T244-F246 PolarHBondContact O-N 3.5Å; T244-F246 PolarHBondContact OG1-N 3.21Å; T244-G247 CarbonylContact O-C 3.57Å; T244-G247 WeakPolarHBondContact O-CA 3.25Å; T244-G247 PolarHBondContact O-N 3.45Å; T244-G247 PolarHBondContact OG1-N 3.37Å; T244-E248 PolarHBondContact O-N 3.03Å
245	G	97.3	Very high	96	Very high	50 Å²	50	39.9 Å²	39.9	52%	0.515	24%	0.238	S	C	.	.	H	α-helix	trans	-56.9	-34.7	174.5	0	0	0	0	0	113.5	E248 K249	G245-E248 PolarHBondContact O-N 3.32Å; G245-K249 WeakPolarHBondContact O-CG 3.46Å; G245-K249 PolarHBondContact O-N 3.01Å
246	F	97.6	Very high	96.3	Very high	20 Å²	20	36.9 Å²	36.9	9%	0.088	21%	0.21	C	C	.	.	H	α-helix	trans	-70.4	-38.6	171.8	-176.6	-94.1	0	0	0	111.7	N199 L201 W225 T244 E248 K249 V250 F421	N199-F246 HydrophobicContact CB-CE1 4.45Å; N199-F246 VanDerWaalsContact O-CZ 3.25Å; N199-F246 WeakPolarHBondContact O-CZ 3.34Å; L201-F246 HydrophobicContact CD2-CZ 4.4Å; L201-F246 HydrophobicContact CG-CZ 4.31Å; W225-F246 HydrophobicContact CB-CB 4.35Å; W225-F246 HydrophobicContact CB-CD1 3.8Å; W225-F246 AromaticContact CD1-CD1 3.79Å; W225-F246 AromaticContact CD1-CE1 3.95Å; W225-F246 AromaticContact CG-CD1 3.75Å; W225-F246 HydrophobicContact CG-CD1 3.75Å; W225-F246 HydrophobicContact CG-CE1 4.25Å; T244-F246 PolarHBondContact O-N 3.5Å; T244-F246 PolarHBondContact OG1-N 3.21Å; F246-E248 VanDerWaalsContact C-N 3.27Å; F246-E248 PolarHBondContact O-N 3.43Å; F246-K249 WeakPolarHBondContact O-CA 3.32Å; F246-K249 VanDerWaalsContact O-CB 3.3Å; F246-K249 WeakPolarHBondContact O-CB 3.49Å; F246-K249 PolarHBondContact O-N 3.38Å; F246-V250 HydrophobicContact CD1-CG2 3.9Å; F246-V250 HydrophobicContact CE1-CG2 3.59Å; F246-V250 HydrophobicContact CZ-CG2 4.29Å; F246-V250 PolarHBondContact O-N 2.93Å; F246-F421 HydrophobicContact CB-CD2 4.05Å; F246-F421 HydrophobicContact CB-CE2 4.31Å; F246-F421 AromaticContact CD1-CD2 3.55Å; F246-F421 HydrophobicContact CD1-CD2 3.55Å; F246-F421 HydrophobicContact CD1-CE2 4.21Å; F246-F421 HydrophobicContact CD2-CB 4.26Å; F246-F421 HydrophobicContact CD2-CD2 4.04Å; F246-F421 HydrophobicContact CE1-CB 4.41Å; F246-F421 AromaticContact CE1-CD2 3.93Å; F246-F421 HydrophobicContact CE1-CD2 3.93Å; F246-F421 HydrophobicContact CE2-CB 3.97Å; F246-F421 HydrophobicContact CE2-CD2 4.4Å; F246-F421 AromaticContact CG-CD2 3.6Å; F246-F421 HydrophobicContact CG-CD2 3.6Å; F246-F421 HydrophobicContact CG-CE2 4.29Å; F246-F421 HydrophobicContact CZ-CB 4.04Å; F246-F421 HydrophobicContact CZ-CD2 4.34Å
247	G	98.4	Very high	96.8	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-59.6	-37.1	174.2	0	0	0	0	0	112.7	T244 K249 V250 V251	T244-G247 CarbonylContact O-C 3.57Å; T244-G247 WeakPolarHBondContact O-CA 3.25Å; T244-G247 PolarHBondContact O-N 3.45Å; T244-G247 PolarHBondContact OG1-N 3.37Å; G247-K249 VanDerWaalsContact C-N 3.3Å; G247-K249 PolarHBondContact O-N 2.59Å; G247-V250 WeakPolarHBondContact O-CB 3.28Å; G247-V250 PolarHBondContact O-N 2.56Å; G247-V251 PolarHBondContact O-N 2.89Å
248	E	98.7	Very high	97.1	Very high	60 Å²	60	34 Å²	34	28%	0.28	20%	0.198	S	C	.	.	H	α-helix	trans	-62.9	-36.2	171.7	-65.7	-177	-163.7	0	0	112.2	L243 T244 G245 F246 V251 A252 R273 V277	L243-E248 HydrophobicContact CD2-CG 4.09Å; L243-E248 HydrophobicContact CG-CG 4.47Å; T244-E248 PolarHBondContact O-N 3.03Å; G245-E248 PolarHBondContact O-N 3.32Å; F246-E248 VanDerWaalsContact C-N 3.27Å; F246-E248 PolarHBondContact O-N 3.43Å; E248-V251 PolarHBondContact O-N 2.71Å; E248-A252 WeakPolarHBondContact O-CB 3.35Å; E248-A252 PolarHBondContact O-N 2.71Å; E248-R273 IonicContact OE1-CZ 3.73Å; E248-R273 IonicContact OE1-NE 3.72Å; E248-R273 PolarHBondContact OE1-NE 2.95Å; E248-R273 IonicContact OE1-NH2 3.56Å; E248-R273 PolarHBondContact OE1-NH2 2.85Å; E248-R273 IonicContact OE2-NH2 2.78Å; E248-R273 PolarHBondContact OE2-NH2 2.87Å; E248-R273 VanDerWaalsContact OE2-NH2 3.14Å; E248-V277 HydrophobicContact CG-CG1 4.29Å; E248-V277 HydrophobicContact CG-CG2 4.44Å
249	K	98.6	Very high	97.4	Very high	79 Å²	79	29.5 Å²	29.5	34%	0.343	17%	0.174	S	C	.	.	H	α-helix	trans	-67.1	-37.7	173.2	-59.8	-66.2	-176.4	158.9	0	112.2	G245 F246 G247 A252 E253 L417 D419	G245-K249 WeakPolarHBondContact O-CG 3.46Å; G245-K249 PolarHBondContact O-N 3.01Å; F246-K249 WeakPolarHBondContact O-CA 3.32Å; F246-K249 VanDerWaalsContact O-CB 3.3Å; F246-K249 WeakPolarHBondContact O-CB 3.49Å; F246-K249 PolarHBondContact O-N 3.38Å; G247-K249 VanDerWaalsContact C-N 3.3Å; G247-K249 PolarHBondContact O-N 2.59Å; K249-A252 PolarHBondContact O-N 3.32Å; K249-E253 WeakPolarHBondContact O-CB 3.2Å; K249-E253 PolarHBondContact O-N 3.03Å; K249-L417 HydrophobicContact CB-CD1 4.36Å; K249-L417 HydrophobicContact CD-CD1 4.23Å; K249-L417 WeakPolarHBondContact O-CD1 3.23Å; K249-D419 VanDerWaalsContact CE-OD1 3.29Å; K249-D419 WeakPolarHBondContact CE-OD1 3.47Å; K249-D419 HydrophobicContact CG-CB 4.3Å; K249-D419 IonicContact NZ-OD1 2.62Å; K249-D419 PolarHBondContact NZ-OD1 3.25Å; K249-D419 IonicContact NZ-OD2 3.97Å
250	V	98.8	Very high	97.9	Very high	1 Å²	1	23 Å²	23	1%	0.006	14%	0.139	C	C	.	.	H	α-helix	trans	-59.5	-50.7	172.8	175.8	0	0	0	0	109.9	L197 L201 L204 W225 F246 G247 A252 E253 M254	L197-V250 HydrophobicContact CD1-CG1 4.02Å; L201-V250 HydrophobicContact CD2-CB 4.44Å; L201-V250 HydrophobicContact CD2-CG2 3.9Å; L204-V250 HydrophobicContact CD2-CG1 4.34Å; W225-V250 HydrophobicContact CD2-CG2 4.3Å; W225-V250 HydrophobicContact CE3-CG2 4.36Å; W225-V250 HydrophobicContact CH2-CG1 4.03Å; W225-V250 HydrophobicContact CZ3-CB 4.41Å; W225-V250 HydrophobicContact CZ3-CG1 4.15Å; F246-V250 HydrophobicContact CD1-CG2 3.9Å; F246-V250 HydrophobicContact CE1-CG2 3.59Å; F246-V250 HydrophobicContact CZ-CG2 4.29Å; F246-V250 PolarHBondContact O-N 2.93Å; G247-V250 WeakPolarHBondContact O-CB 3.28Å; G247-V250 PolarHBondContact O-N 2.56Å; V250-A252 VanDerWaalsContact C-N 3.33Å; V250-A252 PolarHBondContact O-N 2.71Å; V250-E253 PolarHBondContact O-N 2.89Å; V250-M254 HydrophobicContact CG1-SD 4.1Å; V250-M254 VanDerWaalsContact O-CG 3.27Å; V250-M254 WeakPolarHBondContact O-CG 3.26Å; V250-M254 PolarHBondContact O-N 3.02Å
251	V	98.9	Very high	98.2	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.006	13%	0.133	C	C	.	.	H	α-helix	trans	-59.1	-42.9	176.9	172	0	0	0	0	111.7	L217 L243 G247 E248 M254 N255 V261 V277	L217-V251 HydrophobicContact CD1-CG2 4.24Å; L217-V251 HydrophobicContact CD2-CG2 4.45Å; L243-V251 HydrophobicContact CD2-CG2 4.08Å; G247-V251 PolarHBondContact O-N 2.89Å; E248-V251 PolarHBondContact O-N 2.71Å; V251-M254 WeakPolarHBondContact O-CB 3.4Å; V251-M254 PolarHBondContact O-N 3.23Å; V251-N255 PolarHBondContact O-N 3.28Å; V251-V261 HydrophobicContact CG1-CG2 4.18Å; V251-V261 HydrophobicContact CG2-CG1 4.47Å; V251-V277 HydrophobicContact CB-CG2 4.31Å; V251-V277 HydrophobicContact CG1-CG2 3.9Å
252	A	98.6	Very high	98.5	Very high	31 Å²	31	17.4 Å²	17.4	26%	0.256	10%	0.103	S	C	.	.	H	α-helix	trans	-63.9	-41.4	177.9	0	0	0	0	0	112.8	E248 K249 V250 M254 N255 R256 L417	E248-A252 WeakPolarHBondContact O-CB 3.35Å; E248-A252 PolarHBondContact O-N 2.71Å; K249-A252 PolarHBondContact O-N 3.32Å; V250-A252 VanDerWaalsContact C-N 3.33Å; V250-A252 PolarHBondContact O-N 2.71Å; A252-M254 VanDerWaalsContact C-N 3.34Å; A252-N255 PolarHBondContact O-N 3.06Å; A252-R256 PolarHBondContact O-N 2.78Å; A252-L417 HydrophobicContact CB-CD1 3.86Å
253	E	98.8	Very high	98.6	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-67.7	-35.9	176	-176	63.8	-179.5	0	0	111.3	L201 L204 R205 K249 V250 R256 L257 L417	L201-E253 HydrophobicContact CD2-CB 4.18Å; L201-E253 HydrophobicContact CD2-CG 4.48Å; L204-E253 HydrophobicContact CD2-CB 3.97Å; L204-E253 HydrophobicContact CD2-CG 3.82Å; R205-E253 VanDerWaalsContact CD-OE1 3.24Å; R205-E253 WeakPolarHBondContact CD-OE1 3.48Å; R205-E253 VanDerWaalsContact CG-OE1 3.3Å; R205-E253 WeakPolarHBondContact CG-OE1 3.2Å; R205-E253 IonicContact CZ-OE1 2.81Å; R205-E253 IonicContact NH1-OE1 3.37Å; R205-E253 PolarHBondContact NH1-OE1 3.08Å; R205-E253 VanDerWaalsContact NH1-OE1 3.08Å; K249-E253 WeakPolarHBondContact O-CB 3.2Å; K249-E253 PolarHBondContact O-N 3.03Å; V250-E253 PolarHBondContact O-N 2.89Å; E253-R256 PolarHBondContact O-N 3.02Å; E253-R256 IonicContact OE1-CZ 3.6Å; E253-R256 IonicContact OE1-NE 3.07Å; E253-R256 PolarHBondContact OE1-NE 3.27Å; E253-R256 IonicContact OE1-NH2 2.91Å; E253-R256 PolarHBondContact OE1-NH2 3.44Å; E253-R256 IonicContact OE2-CZ 3.22Å; E253-R256 IonicContact OE2-NE 2.69Å; E253-R256 PolarHBondContact OE2-NE 2.81Å; E253-R256 IonicContact OE2-NH2 2.62Å; E253-L257 HydrophobicContact CG-CD1 4.1Å; E253-L257 HydrophobicContact CG-CG 4.47Å; E253-L257 WeakPolarHBondContact O-CB 3.35Å; E253-L257 VanDerWaalsContact O-CG 3.28Å; E253-L257 WeakPolarHBondContact O-CG 3.31Å; E253-L257 PolarHBondContact O-N 3.24Å; E253-L417 HydrophobicContact CB-CD1 4.19Å; E253-L417 PolarHBondContact OE2-N 3.42Å; E253-L417 VanDerWaalsContact OE2-N 3.1Å
254	M	98.8	Very high	98.6	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-61.5	-44.3	172.1	-68	174.4	70.6	0	0	111.8	L204 L215 L217 V250 V251 A252 R256 L257 G258 M259 M260 V261	L204-M254 HydrophobicContact CD1-CG 4.06Å; L204-M254 HydrophobicContact CD2-CG 3.85Å; L215-M254 HydrophobicContact CB-CE 3.66Å; L215-M254 HydrophobicContact CB-SD 4.35Å; L215-M254 HydrophobicContact CD2-SD 4.14Å; L217-M254 HydrophobicContact CD2-SD 3.99Å; V250-M254 HydrophobicContact CG1-SD 4.1Å; V250-M254 VanDerWaalsContact O-CG 3.27Å; V250-M254 WeakPolarHBondContact O-CG 3.26Å; V250-M254 PolarHBondContact O-N 3.02Å; V251-M254 WeakPolarHBondContact O-CB 3.4Å; V251-M254 PolarHBondContact O-N 3.23Å; A252-M254 VanDerWaalsContact C-N 3.34Å; M254-R256 PolarHBondContact O-N 2.91Å; M254-L257 PolarHBondContact O-N 3.09Å; M254-G258 PolarHBondContact O-N 2.93Å; M254-M259 HydrophobicContact CB-CB 4.22Å; M254-M259 HydrophobicContact CE-CG 4.01Å; M254-M259 HydrophobicContact CE-SD 4.04Å; M254-M259 HydrophobicContact CG-CB 4.46Å; M254-M259 HydrophobicContact CG-SD 4.33Å; M254-M259 PolarHBondContact O-N 2.96Å; M254-M260 WeakPolarHBondContact CE-O 3.09Å; M254-V261 HydrophobicContact CB-CG2 4.02Å; M254-V261 VanDerWaalsContact CE-CA 3.48Å; M254-V261 HydrophobicContact CE-CB 4.09Å; M254-V261 HydrophobicContact CE-CG2 3.73Å; M254-V261 HydrophobicContact SD-CG2 3.99Å
255	N	98.9	Very high	98.6	Very high	1 Å²	1	15 Å²	15	1%	0.005	9%	0.086	C	C	.	.	H	α-helix	trans	-61.4	-43.5	174.6	-64.3	160.6	0	0	0	112	V251 A252 L257 G258 S278 Q279 V407	V251-N255 PolarHBondContact O-N 3.28Å; A252-N255 PolarHBondContact O-N 3.06Å; N255-L257 VanDerWaalsContact C-N 3.31Å; N255-L257 PolarHBondContact O-N 3.2Å; N255-G258 PolarHBondContact O-N 3.22Å; N255-S278 PolarHBondContact ND2-OG 2.86Å; N255-S278 WeakPolarHBondContact OD1-CA 3.49Å; N255-Q279 PolarHBondContact OD1-N 3.13Å; N255-V407 HydrophobicContact CB-CG1 4.35Å
256	R	98.7	Very high	98.7	Very high	43 Å²	43	13 Å²	13	16%	0.162	6%	0.064	C	C	.	.	H	α-helix	trans	-63.4	-37.6	177.4	-166.9	-160	66.3	74.7	2.6	112	A252 E253 M254 G258 N411 R414	A252-R256 PolarHBondContact O-N 2.78Å; E253-R256 PolarHBondContact O-N 3.02Å; E253-R256 IonicContact OE1-CZ 3.6Å; E253-R256 IonicContact OE1-NE 3.07Å; E253-R256 PolarHBondContact OE1-NE 3.27Å; E253-R256 IonicContact OE1-NH2 2.91Å; E253-R256 PolarHBondContact OE1-NH2 3.44Å; E253-R256 IonicContact OE2-CZ 3.22Å; E253-R256 IonicContact OE2-NE 2.69Å; E253-R256 PolarHBondContact OE2-NE 2.81Å; E253-R256 IonicContact OE2-NH2 2.62Å; M254-R256 PolarHBondContact O-N 2.91Å; R256-G258 VanDerWaalsContact C-N 3.35Å; R256-N411 HydrophobicContact CG-CB 4.2Å; R256-R414 HydrophobicContact CG-CB 4.38Å
257	L	98.7	Very high	98.8	Very high	14 Å²	14	12.3 Å²	12.3	7%	0.073	6%	0.062	C	C	.	.	H	α-helix	trans	-74.3	-21.5	178.2	-76.4	170.2	0	0	0	113.7	L204 R205 Y208 E253 M254 N255 M259 Q408	L204-L257 HydrophobicContact CD2-CD1 4.37Å; L204-L257 HydrophobicContact CG-CD1 4.07Å; R205-L257 HydrophobicContact CG-CD1 4.06Å; R205-L257 HydrophobicContact CG-CD2 4.18Å; Y208-L257 HydrophobicContact CD1-CD2 4.12Å; Y208-L257 HydrophobicContact CD2-CB 4.05Å; Y208-L257 HydrophobicContact CE2-CB 4.27Å; Y208-L257 WeakPolarHBondContact CE2-O 3.39Å; Y208-L257 HydrophobicContact CG-CB 4.32Å; Y208-L257 HydrophobicContact CG-CD2 4.13Å; Y208-L257 PolarHBondContact OH-O 3.22Å; E253-L257 HydrophobicContact CG-CD1 4.1Å; E253-L257 HydrophobicContact CG-CG 4.47Å; E253-L257 WeakPolarHBondContact O-CB 3.35Å; E253-L257 VanDerWaalsContact O-CG 3.28Å; E253-L257 WeakPolarHBondContact O-CG 3.31Å; E253-L257 PolarHBondContact O-N 3.24Å; M254-L257 PolarHBondContact O-N 3.09Å; N255-L257 VanDerWaalsContact C-N 3.31Å; N255-L257 PolarHBondContact O-N 3.2Å; L257-M259 HydrophobicContact CB-CB 4.39Å; L257-Q408 PolarHBondContact O-NE2 3.31Å; L257-Q408 VanDerWaalsContact O-NE2 3.15Å; L257-Q408 PolarHBondContact O-OE1 3.4Å
258	G	98.7	Very high	98.8	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.6	33.6	-165.9	0	0	0	0	0	112.1	M254 N255 R256 V404	M254-G258 PolarHBondContact O-N 2.93Å; N255-G258 PolarHBondContact O-N 3.22Å; R256-G258 VanDerWaalsContact C-N 3.35Å; G258-V404 WeakPolarHBondContact O-CG1 3.5Å
259	M	98.9	Very high	98.8	Very high	1 Å²	1	14 Å²	14	1%	0.005	8%	0.078	C	C	.	.	P	Polyproline II helix	trans	-96.4	129	170.7	-172.2	179.4	-68.6	0	0	109.4	L204 Y208 V212 L215 M254 L257 V261	L204-M259 HydrophobicContact CD1-CE 3.97Å; L204-M259 HydrophobicContact CD1-SD 3.62Å; Y208-M259 HydrophobicContact CD2-CB 4.18Å; Y208-M259 HydrophobicContact CD2-CE 3.89Å; Y208-M259 HydrophobicContact CG-CE 4.28Å; V212-M259 HydrophobicContact CB-CE 4.3Å; V212-M259 HydrophobicContact CG1-CE 4.09Å; V212-M259 HydrophobicContact CG1-SD 4.4Å; L215-M259 HydrophobicContact CB-SD 3.86Å; M254-M259 HydrophobicContact CB-CB 4.22Å; M254-M259 HydrophobicContact CE-CG 4.01Å; M254-M259 HydrophobicContact CE-SD 4.04Å; M254-M259 HydrophobicContact CG-CB 4.46Å; M254-M259 HydrophobicContact CG-SD 4.33Å; M254-M259 PolarHBondContact O-N 2.96Å; L257-M259 HydrophobicContact CB-CB 4.39Å; M259-V261 PolarHBondContact O-N 2.03Å
260	M	98.9	Very high	98.8	Very high	1 Å²	1	10.2 Å²	10.2	1%	0.005	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	132.7	175.3	-77.6	173.2	-68.4	0	0	110.6	F135 R213 Y214 L215 M254 I283 L397 V400 F401 V404	F135-M260 HydrophobicContact CE1-CE 3.84Å; F135-M260 HydrophobicContact CZ-CE 3.64Å; R213-M260 HydrophobicContact CB-CE 4.37Å; R213-M260 WeakPolarHBondContact O-CB 3.24Å; R213-M260 WeakPolarHBondContact O-CE 2.99Å; R213-M260 PolarHBondContact O-N 3.28Å; Y214-M260 WeakPolarHBondContact CA-O 3.28Å; Y214-M260 WeakPolarHBondContact CB-O 3.46Å; L215-M260 PolarHBondContact N-O 2.95Å; M254-M260 WeakPolarHBondContact CE-O 3.09Å; M260-I283 HydrophobicContact CB-CD1 4.42Å; M260-I283 HydrophobicContact CB-CG2 4.43Å; M260-I283 HydrophobicContact CG-CG2 4.36Å; M260-I283 HydrophobicContact SD-CG2 3.94Å; M260-L397 HydrophobicContact SD-CD2 4.18Å; M260-V400 HydrophobicContact SD-CG1 4.37Å; M260-F401 HydrophobicContact CE-CD1 4.29Å; M260-F401 HydrophobicContact CE-CD2 4.02Å; M260-F401 HydrophobicContact CE-CE2 4.31Å; M260-F401 HydrophobicContact CE-CG 4.02Å; M260-F401 HydrophobicContact SD-CB 4.2Å; M260-F401 HydrophobicContact SD-CD2 4.4Å; M260-F401 HydrophobicContact SD-CG 4.31Å; M260-V404 HydrophobicContact CG-CB 4.31Å; M260-V404 HydrophobicContact CG-CG1 4.23Å; M260-V404 HydrophobicContact CG-CG2 3.85Å
261	V	98.9	Very high	98.8	Very high	1 Å²	1	10.3 Å²	10.3	1%	0.006	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	118	171.4	179.9	0	0	0	0	108.1	L217 V251 M254 M259 L263 V282 I283	L217-V261 HydrophobicContact CD1-CG1 4Å; L217-V261 HydrophobicContact CD2-CG1 4.08Å; L217-V261 HydrophobicContact CG-CG1 4.08Å; V251-V261 HydrophobicContact CG1-CG2 4.18Å; V251-V261 HydrophobicContact CG2-CG1 4.47Å; M254-V261 HydrophobicContact CB-CG2 4.02Å; M254-V261 VanDerWaalsContact CE-CA 3.48Å; M254-V261 HydrophobicContact CE-CB 4.09Å; M254-V261 HydrophobicContact CE-CG2 3.73Å; M254-V261 HydrophobicContact SD-CG2 3.99Å; M259-V261 PolarHBondContact O-N 2.03Å; V261-L263 HydrophobicContact CG1-CD2 3.83Å; V261-L263 HydrophobicContact CG1-CG 4.49Å; V261-V282 HydrophobicContact CB-CB 4.31Å; V261-V282 HydrophobicContact CB-CG1 3.97Å; V261-V282 HydrophobicContact CG1-CG1 4.35Å; V261-V282 WeakPolarHBondContact O-CB 3.49Å; V261-I283 PolarHBondContact O-N 3.1Å
262	D	99	Very high	98.8	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	125.8	175.8	177.3	27.1	0	0	0	111.2	Y214 L215 T216 L217 S264 I283 F284 S285	Y214-D262 HydrophobicContact CD2-CB 3.93Å; Y214-D262 HydrophobicContact CG-CB 4.43Å; L215-D262 PolarHBondContact O-N 3.4Å; T216-D262 WeakPolarHBondContact CA-O 3.43Å; T216-D262 WeakPolarHBondContact CB-OD2 3Å; T216-D262 HydrophobicContact CG2-CB 4.48Å; T216-D262 WeakPolarHBondContact CG2-OD2 3.05Å; T216-D262 PolarHBondContact OG1-OD2 2.97Å; L217-D262 PolarHBondContact N-O 2.79Å; L217-D262 VanDerWaalsContact N-O 3.1Å; D262-S264 PolarHBondContact OD1-N 3.4Å; D262-I283 WeakPolarHBondContact CA-O 3.4Å; D262-I283 HydrophobicContact CB-CD1 4.02Å; D262-I283 HydrophobicContact CB-CG1 3.64Å; D262-F284 WeakPolarHBondContact OD1-CA 3.42Å; D262-S285 VanDerWaalsContact CG-OG 3.29Å; D262-S285 PolarHBondContact OD1-N 2.92Å; D262-S285 PolarHBondContact OD1-OG 3.1Å; D262-S285 VanDerWaalsContact OD2-CB 3.3Å; D262-S285 WeakPolarHBondContact OD2-CB 3.09Å; D262-S285 PolarHBondContact OD2-OG 2.62Å
263	L	98.9	Very high	98.8	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.005	8%	0.079	C	C	.	.			trans	-105.3	5.1	-176.2	-58.2	-175	0	0	0	113.1	L217 V261 V266 A271 A274 L275 V282 I283 F284	L217-L263 HydrophobicContact CD1-CD2 3.73Å; L217-L263 HydrophobicContact CG-CD2 4.37Å; V261-L263 HydrophobicContact CG1-CD2 3.83Å; V261-L263 HydrophobicContact CG1-CG 4.49Å; L263-V266 HydrophobicContact CB-CG2 4.05Å; L263-V266 HydrophobicContact CD2-CG2 4.36Å; L263-V266 WeakPolarHBondContact O-CG2 3.48Å; L263-V266 PolarHBondContact O-N 3.03Å; L263-A271 HydrophobicContact CD1-CB 4.36Å; L263-A274 HydrophobicContact CD1-CB 4.3Å; L263-A274 HydrophobicContact CD2-CB 3.56Å; L263-L275 HydrophobicContact CD1-CD1 4.42Å; L263-L275 HydrophobicContact CD1-CD2 4.39Å; L263-L275 HydrophobicContact CD1-CG 3.95Å; L263-V282 HydrophobicContact CD1-CB 4.24Å; L263-V282 HydrophobicContact CD1-CG2 3.61Å; L263-V282 HydrophobicContact CG-CB 4.41Å; L263-V282 HydrophobicContact CG-CG2 4.2Å; L263-I283 PolarHBondContact N-O 3.2Å; L263-F284 VanDerWaalsContact C-CD1 3.43Å; L263-F284 HydrophobicContact CB-CD1 3.74Å; L263-F284 HydrophobicContact CB-CD2 4.33Å; L263-F284 HydrophobicContact CB-CE1 3.41Å; L263-F284 VanDerWaalsContact CB-CE1 3.41Å; L263-F284 HydrophobicContact CB-CE2 4.04Å; L263-F284 HydrophobicContact CB-CG 4.19Å; L263-F284 HydrophobicContact CB-CZ 3.58Å; L263-F284 HydrophobicContact CD1-CE2 4.09Å; L263-F284 HydrophobicContact CD1-CZ 3.91Å; L263-F284 HydrophobicContact CG-CZ 4.4Å; L263-F284 WeakPolarHBondContact O-CD1 3.27Å; L263-F284 VanDerWaalsContact O-CE1 3.28Å; L263-F284 WeakPolarHBondContact O-CE1 3.46Å
264	S	98.8	Very high	98.8	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	145.6	163.5	-73.3	0	0	0	0	109.7	T216 D262 V266 S285 H286 S287	T216-S264 WeakPolarHBondContact CG2-O 3.49Å; D262-S264 PolarHBondContact OD1-N 3.4Å; S264-V266 PolarHBondContact O-N 2.97Å; S264-V266 VanDerWaalsContact O-N 3.1Å; S264-S285 PolarHBondContact OG-N 2.6Å; S264-S285 VanDerWaalsContact OG-N 3.15Å; S264-H286 PolarHBondContact OG-N 3.28Å; S264-S287 PolarHBondContact OG-OG 2.56Å
265	H	98.6	Very high	98.8	Very high	11 Å²	11	17.3 Å²	17.3	5%	0.051	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.5	-10.2	-179.1	-69.5	-92.2	0	0	0	117.3	E192 T218 H219 S228 S229 H286 R297	E192-H265 IonicContact OE1-CD2 3.8Å; E192-H265 PolarHBondContact OE1-CD2 3.39Å; E192-H265 IonicContact OE1-CE1 3.39Å; E192-H265 IonicContact OE1-NE2 3.88Å; E192-H265 PolarHBondContact OE1-NE2 3.44Å; T218-H265 VanDerWaalsContact O-CB 3.26Å; T218-H265 WeakPolarHBondContact O-CB 3.45Å; T218-H265 PolarHBondContact OG1-O 2.81Å; H219-H265 AromaticContact CD2-CE1 3.34Å; H219-H265 PolarHBondContact CD2-CE1 3.32Å; H219-H265 AromaticContact CD2-ND1 3.71Å; H219-H265 AromaticContact CD2-NE2 3.62Å; H219-H265 AromaticContact NE2-CE1 3.4Å; H219-H265 PolarHBondContact NE2-CE1 2.9Å; H219-H265 AromaticContact NE2-NE2 3.94Å; S228-H265 PolarHBondContact OG-O 3.37Å; S229-H265 WeakPolarHBondContact CB-O 3.49Å; S229-H265 PolarHBondContact N-O 2.87Å; S229-H265 PolarHBondContact OG-O 2.99Å; S229-H265 VanDerWaalsContact OG-O 3.12Å; H265-H286 AromaticContact CD2-CE1 3.82Å; H265-H286 AromaticContact CD2-NE2 3.41Å; H265-H286 PolarHBondContact CD2-NE2 2.89Å; H265-H286 AromaticContact NE2-CE1 3.81Å; H265-H286 AromaticContact NE2-NE2 3.05Å; H265-H286 PolarHBondContact NE2-NE2 3.41Å; H265-R297 VanDerWaalsContact CD2-CZ 3.46Å; H265-R297 PolarHBondContact CD2-NH1 3.39Å; H265-R297 PolarHBondContact CD2-NH2 3.25Å; H265-R297 PolarHBondContact CE1-NH2 2.9Å; H265-R297 PolarHBondContact ND1-NH1 3.49Å; H265-R297 PolarHBondContact NE2-NH1 3.41Å; H265-R297 PolarHBondContact NE2-NH2 3.05Å
266	V	98.8	Very high	98.8	Very high	8 Å²	8	23 Å²	23	5%	0.048	11%	0.11	C	C	.	.	B	Isolated β-bridge	trans	-80.6	155.2	-177.4	-46.6	0	0	0	0	111.6	L217 T218 S229 L263 S264 V270 A271	L217-V266 HydrophobicContact CB-CG1 3.83Å; T218-V266 WeakPolarHBondContact OG1-CA 2.86Å; S229-V266 WeakPolarHBondContact CB-O 3.36Å; L263-V266 HydrophobicContact CB-CG2 4.05Å; L263-V266 HydrophobicContact CD2-CG2 4.36Å; L263-V266 WeakPolarHBondContact O-CG2 3.48Å; L263-V266 PolarHBondContact O-N 3.03Å; S264-V266 PolarHBondContact O-N 2.97Å; S264-V266 VanDerWaalsContact O-N 3.1Å; V266-V270 HydrophobicContact CB-CB 3.84Å; V266-V270 HydrophobicContact CB-CG1 3.61Å; V266-V270 HydrophobicContact CG1-CG1 3.95Å; V266-V270 HydrophobicContact CG2-CB 4Å; V266-V270 HydrophobicContact CG2-CG1 3.85Å; V266-A271 HydrophobicContact CG2-CB 3.75Å
267	S	98.5	Very high	98.8	Very high	6 Å²	6	22.6 Å²	22.6	4%	0.042	11%	0.112	C	C	.	.			trans	-67.8	158.3	172.7	83.7	0	0	0	0	111.7	E227 A269 V270 A271	E227-S267 PolarHBondContact O-N 3.02Å; E227-S267 VanDerWaalsContact OE2-CB 3.22Å; E227-S267 WeakPolarHBondContact OE2-CB 3.5Å; E227-S267 PolarHBondContact OE2-OG 3.28Å; S267-A269 PolarHBondContact O-N 2.74Å; S267-A269 VanDerWaalsContact O-N 3.12Å; S267-A269 PolarHBondContact OG-N 2.89Å; S267-V270 PolarHBondContact O-N 3.35Å; S267-V270 PolarHBondContact OG-N 2.91Å; S267-A271 PolarHBondContact O-N 3.39Å
268	D	98.7	Very high	98.8	Very high	53 Å²	53	22.5 Å²	22.5	28%	0.283	11%	0.113	S	C	.	.	H	α-helix	trans	-53.7	-35.5	175.4	-67.8	-4.8	0	0	0	112.9	A271 R272 R290 I303	D268-A271 PolarHBondContact O-N 3.42Å; D268-R272 VanDerWaalsContact O-CG 3.3Å; D268-R272 WeakPolarHBondContact O-CG 3.28Å; D268-R272 PolarHBondContact O-N 3.01Å; D268-R290 VanDerWaalsContact CG-NH1 3.26Å; D268-R290 IonicContact OD1-CZ 2.77Å; D268-R290 IonicContact OD1-NH1 3.37Å; D268-R290 PolarHBondContact OD1-NH1 3.47Å; D268-R290 IonicContact OD1-NH2 3.74Å; D268-R290 PolarHBondContact OD1-NH2 3.36Å; D268-R290 IonicContact OD2-CZ 3.24Å; D268-R290 IonicContact OD2-NH1 3.18Å; D268-R290 PolarHBondContact OD2-NH1 2.9Å; D268-R290 IonicContact OD2-NH2 3.84Å; D268-I303 HydrophobicContact CB-CD1 3.84Å
269	A	98.4	Very high	98.7	Very high	41 Å²	41	27.2 Å²	27.2	34%	0.339	14%	0.135	S	C	.	.	H	α-helix	trans	-67.3	-42.4	178.7	0	0	0	0	0	111.5	S267 R273	S267-A269 PolarHBondContact O-N 2.74Å; S267-A269 VanDerWaalsContact O-N 3.12Å; S267-A269 PolarHBondContact OG-N 2.89Å; A269-R273 WeakPolarHBondContact O-CB 3.02Å; A269-R273 PolarHBondContact O-N 3.34Å; A269-R273 VanDerWaalsContact O-N 3.11Å
270	V	98.8	Very high	98.7	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-64.4	-46.6	173.3	172.1	0	0	0	0	110.7	L217 A226 E227 G242 L243 V266 S267 R272 R273 A274	L217-V270 HydrophobicContact CD1-CG1 3.99Å; A226-V270 HydrophobicContact CB-CG2 4.3Å; E227-V270 HydrophobicContact CB-CG2 4Å; E227-V270 VanDerWaalsContact O-CG2 3.27Å; E227-V270 WeakPolarHBondContact O-CG2 3.22Å; G242-V270 WeakPolarHBondContact O-CG2 3.32Å; L243-V270 HydrophobicContact CB-CG1 4.47Å; L243-V270 HydrophobicContact CB-CG2 4.39Å; L243-V270 HydrophobicContact CD1-CG1 4.25Å; V266-V270 HydrophobicContact CB-CB 3.84Å; V266-V270 HydrophobicContact CB-CG1 3.61Å; V266-V270 HydrophobicContact CG1-CG1 3.95Å; V266-V270 HydrophobicContact CG2-CB 4Å; V266-V270 HydrophobicContact CG2-CG1 3.85Å; S267-V270 PolarHBondContact O-N 3.35Å; S267-V270 PolarHBondContact OG-N 2.91Å; V270-R272 PolarHBondContact O-N 2.99Å; V270-R273 PolarHBondContact O-N 3.29Å; V270-A274 VanDerWaalsContact O-CB 3.29Å; V270-A274 WeakPolarHBondContact O-CB 3Å; V270-A274 PolarHBondContact O-N 2.05Å
271	A	98.9	Very high	98.7	Very high	3 Å²	3	27.6 Å²	27.6	3%	0.025	14%	0.138	C	C	.	.	H	α-helix	trans	-59.2	-46.1	-178.6	0	0	0	0	0	111.8	L263 V266 S267 D268 L275 F284 I303	L263-A271 HydrophobicContact CD1-CB 4.36Å; V266-A271 HydrophobicContact CG2-CB 3.75Å; S267-A271 PolarHBondContact O-N 3.39Å; D268-A271 PolarHBondContact O-N 3.42Å; A271-L275 WeakPolarHBondContact O-CB 3.24Å; A271-L275 WeakPolarHBondContact O-CD1 3.12Å; A271-L275 VanDerWaalsContact O-CG 3.23Å; A271-L275 WeakPolarHBondContact O-CG 3.33Å; A271-L275 PolarHBondContact O-N 3.03Å; A271-F284 HydrophobicContact CB-CZ 4.28Å; A271-I303 HydrophobicContact CB-CD1 3.94Å; A271-I303 HydrophobicContact CB-CG2 4.23Å
272	R	98.8	Very high	98.7	Very high	76 Å²	76	27.5 Å²	27.5	29%	0.287	14%	0.137	S	C	.	.	H	α-helix	trans	-58.3	-50.6	174.1	-71.4	174.7	-155.9	-78.6	-6.5	111.6	D268 V270 A274 L275 E276 D302 I303 L306	D268-R272 VanDerWaalsContact O-CG 3.3Å; D268-R272 WeakPolarHBondContact O-CG 3.28Å; D268-R272 PolarHBondContact O-N 3.01Å; V270-R272 PolarHBondContact O-N 2.99Å; R272-A274 PolarHBondContact O-N 3.35Å; R272-L275 PolarHBondContact O-N 3.21Å; R272-E276 WeakPolarHBondContact O-CG 3.49Å; R272-E276 PolarHBondContact O-N 2.83Å; R272-D302 IonicContact CZ-OD2 3.98Å; R272-D302 IonicContact NH1-OD1 3.72Å; R272-D302 IonicContact NH1-OD2 2.76Å; R272-D302 PolarHBondContact NH1-OD2 3.44Å; R272-D302 VanDerWaalsContact NH2-CG 3.31Å; R272-D302 IonicContact NH2-OD1 3.49Å; R272-D302 PolarHBondContact NH2-OD1 3.27Å; R272-D302 IonicContact NH2-OD2 3.58Å; R272-D302 PolarHBondContact NH2-OD2 2.92Å; R272-I303 HydrophobicContact CG-CD1 4.22Å; R272-I303 HydrophobicContact CG-CG1 4.08Å; R272-L306 HydrophobicContact CB-CD1 4.32Å; R272-L306 HydrophobicContact CG-CD1 3.84Å
273	R	98.8	Very high	98.7	Very high	87 Å²	87	27.6 Å²	27.6	33%	0.328	14%	0.138	S	C	.	.	H	α-helix	trans	-65.5	-41.7	-175.7	-171	59.2	-177.4	152.1	5.7	111.9	L243 E248 A269 V270 E276 V277	L243-R273 HydrophobicContact CB-CB 4Å; L243-R273 HydrophobicContact CB-CG 3.93Å; L243-R273 HydrophobicContact CD2-CB 4.45Å; L243-R273 HydrophobicContact CD2-CG 4.13Å; E248-R273 IonicContact OE1-CZ 3.73Å; E248-R273 IonicContact OE1-NE 3.72Å; E248-R273 PolarHBondContact OE1-NE 2.95Å; E248-R273 IonicContact OE1-NH2 3.56Å; E248-R273 PolarHBondContact OE1-NH2 2.85Å; E248-R273 IonicContact OE2-NH2 2.78Å; E248-R273 PolarHBondContact OE2-NH2 2.87Å; E248-R273 VanDerWaalsContact OE2-NH2 3.14Å; A269-R273 WeakPolarHBondContact O-CB 3.02Å; A269-R273 PolarHBondContact O-N 3.34Å; A269-R273 VanDerWaalsContact O-N 3.11Å; V270-R273 PolarHBondContact O-N 3.29Å; R273-E276 IonicContact NH1-OE2 3.69Å; R273-E276 PolarHBondContact NH1-OE2 2.87Å; R273-E276 WeakPolarHBondContact O-CB 3.5Å; R273-E276 PolarHBondContact O-N 2.82Å; R273-V277 HydrophobicContact CG-CG1 4.49Å; R273-V277 WeakPolarHBondContact O-CG1 3.28Å; R273-V277 WeakPolarHBondContact O-CG2 3.37Å; R273-V277 PolarHBondContact O-N 3Å
274	A	98.8	Very high	98.7	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-62.9	-42	175.9	0	0	0	0	0	112.1	L217 L243 L263 V270 R272 E276 V277 S278	L217-A274 HydrophobicContact CD1-CB 4.27Å; L243-A274 HydrophobicContact CD2-CB 4.44Å; L263-A274 HydrophobicContact CD1-CB 4.3Å; L263-A274 HydrophobicContact CD2-CB 3.56Å; V270-A274 VanDerWaalsContact O-CB 3.29Å; V270-A274 WeakPolarHBondContact O-CB 3Å; V270-A274 PolarHBondContact O-N 2.05Å; R272-A274 PolarHBondContact O-N 3.35Å; A274-E276 VanDerWaalsContact C-N 3.28Å; A274-E276 PolarHBondContact O-N 2.93Å; A274-V277 PolarHBondContact O-N 3.18Å; A274-S278 WeakPolarHBondContact O-CB 3.49Å; A274-S278 PolarHBondContact O-N 2.89Å
275	L	98.9	Very high	98.7	Very high	16 Å²	16	28 Å²	28	8%	0.084	14%	0.139	C	C	.	.	H	α-helix	trans	-64.2	-31.4	175.3	-76.7	165.4	0	0	0	113	L263 A271 R272 V282 I303 L306 L307 N310	L263-L275 HydrophobicContact CD1-CD1 4.42Å; L263-L275 HydrophobicContact CD1-CD2 4.39Å; L263-L275 HydrophobicContact CD1-CG 3.95Å; A271-L275 WeakPolarHBondContact O-CB 3.24Å; A271-L275 WeakPolarHBondContact O-CD1 3.12Å; A271-L275 VanDerWaalsContact O-CG 3.23Å; A271-L275 WeakPolarHBondContact O-CG 3.33Å; A271-L275 PolarHBondContact O-N 3.03Å; R272-L275 PolarHBondContact O-N 3.21Å; L275-V282 HydrophobicContact CD2-CG2 3.41Å; L275-V282 VanDerWaalsContact CD2-CG2 3.41Å; L275-V282 HydrophobicContact CG-CG2 4.3Å; L275-I303 HydrophobicContact CD1-CG2 3.77Å; L275-L306 HydrophobicContact CB-CB 4.39Å; L275-L306 HydrophobicContact CD1-CB 3.75Å; L275-L307 HydrophobicContact CD2-CB 4.4Å; L275-L307 HydrophobicContact CD2-CD1 3.89Å; L275-N310 HydrophobicContact CD2-CB 3.63Å
276	E	98.4	Very high	98.7	Very high	121 Å²	121	27.4 Å²	27.4	57%	0.565	14%	0.137	S	C	*	.	H	α-helix	trans	-73.6	-42.5	175.2	-73.7	169.8	-173.6	0	0	113	R272 R273 A274	R272-E276 WeakPolarHBondContact O-CG 3.49Å; R272-E276 PolarHBondContact O-N 2.83Å; R273-E276 IonicContact NH1-OE2 3.69Å; R273-E276 PolarHBondContact NH1-OE2 2.87Å; R273-E276 WeakPolarHBondContact O-CB 3.5Å; R273-E276 PolarHBondContact O-N 2.82Å; A274-E276 VanDerWaalsContact C-N 3.28Å; A274-E276 PolarHBondContact O-N 2.93Å
277	V	98.5	Very high	98.7	Very high	35 Å²	35	27.1 Å²	27.1	21%	0.212	14%	0.135	C	C	.	.	H	α-helix	trans	-92.2	-22.6	-171.9	-55.5	0	0	0	0	113.9	L243 E248 V251 R273 A274 Q279	L243-V277 HydrophobicContact CD2-CG2 4.44Å; E248-V277 HydrophobicContact CG-CG1 4.29Å; E248-V277 HydrophobicContact CG-CG2 4.44Å; V251-V277 HydrophobicContact CB-CG2 4.31Å; V251-V277 HydrophobicContact CG1-CG2 3.9Å; R273-V277 HydrophobicContact CG-CG1 4.49Å; R273-V277 WeakPolarHBondContact O-CG1 3.28Å; R273-V277 WeakPolarHBondContact O-CG2 3.37Å; R273-V277 PolarHBondContact O-N 3Å; A274-V277 PolarHBondContact O-N 3.18Å; V277-Q279 PolarHBondContact O-N 3.01Å
278	S	98.8	Very high	98.7	Very high	12 Å²	12	26.9 Å²	26.9	8%	0.084	13%	0.133	C	C	.	.			trans	-68.6	126	-179.8	-174.9	0	0	0	0	111.2	N255 A274 A280	N255-S278 PolarHBondContact ND2-OG 2.86Å; N255-S278 WeakPolarHBondContact OD1-CA 3.49Å; A274-S278 WeakPolarHBondContact O-CB 3.49Å; A274-S278 PolarHBondContact O-N 2.89Å; S278-A280 VanDerWaalsContact C-N 3.3Å; S278-A280 PolarHBondContact OG-N 3.08Å; S278-A280 PolarHBondContact OG-O 3.24Å
279	Q	98.5	Very high	98.7	Very high	98 Å²	98	24.3 Å²	24.3	46%	0.458	12%	0.12	S	C	.	.	S	Bend	trans	-79.6	-15.5	174.3	-72.5	165.1	67.5	0	0	112.6	N255 V277 V407	N255-Q279 PolarHBondContact OD1-N 3.13Å; V277-Q279 PolarHBondContact O-N 3.01Å; Q279-V407 HydrophobicContact CB-CG1 4.3Å
280	A	98.8	Very high	98.7	Very high	3 Å²	3	24.2 Å²	24.2	3%	0.025	11%	0.11	C	C	.	.	S	Bend	trans	-112.9	157.6	178.5	0	0	0	0	0	111.5	S278 N310 V404 V407	S278-A280 VanDerWaalsContact C-N 3.3Å; S278-A280 PolarHBondContact OG-N 3.08Å; S278-A280 PolarHBondContact OG-O 3.24Å; A280-N310 PolarHBondContact O-ND2 3.1Å; A280-N310 VanDerWaalsContact O-ND2 3.09Å; A280-V404 HydrophobicContact CB-CG2 3.92Å; A280-V407 HydrophobicContact CB-CB 4.07Å; A280-V407 HydrophobicContact CB-CG1 4.14Å; A280-V407 HydrophobicContact CB-CG2 3.97Å
281	P	98.9	Very high	98.7	Very high	7 Å²	7	26.7 Å²	26.7	5%	0.045	14%	0.136	C	C	.	.			trans	-62.2	139.6	171.8	24.8	-31.5	0	0	0	111.2	N310 G311 V400 R403 V404	P281-N310 VanDerWaalsContact CA-OD1 3.24Å; P281-N310 WeakPolarHBondContact CA-OD1 3.46Å; P281-G311 WeakPolarHBondContact CB-O 3.35Å; P281-V400 HydrophobicContact CB-CG1 4.08Å; P281-V400 HydrophobicContact CB-CG2 4.36Å; P281-V400 HydrophobicContact CG-CG1 4.08Å; P281-R403 VanDerWaalsContact CD-CG 3.46Å; P281-R403 HydrophobicContact CG-CB 3.73Å; P281-R403 HydrophobicContact CG-CG 3.64Å; P281-V404 HydrophobicContact CG-CG2 4.19Å; P281-V404 WeakPolarHBondContact O-CG2 3.39Å
282	V	98.9	Very high	98.6	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.15	C	C	.	.			trans	-101.2	168.5	-179.5	-50.9	0	0	0	0	111.4	V261 L263 L275 L307 N310 G312 I313	V261-V282 HydrophobicContact CB-CB 4.31Å; V261-V282 HydrophobicContact CB-CG1 3.97Å; V261-V282 HydrophobicContact CG1-CG1 4.35Å; V261-V282 WeakPolarHBondContact O-CB 3.49Å; L263-V282 HydrophobicContact CD1-CB 4.24Å; L263-V282 HydrophobicContact CD1-CG2 3.61Å; L263-V282 HydrophobicContact CG-CB 4.41Å; L263-V282 HydrophobicContact CG-CG2 4.2Å; L275-V282 HydrophobicContact CD2-CG2 3.41Å; L275-V282 VanDerWaalsContact CD2-CG2 3.41Å; L275-V282 HydrophobicContact CG-CG2 4.3Å; V282-L307 HydrophobicContact CG2-CD1 3.59Å; V282-N310 PolarHBondContact N-OD1 3.05Å; V282-G312 CarbonylContact O-C 3.57Å; V282-G312 WeakPolarHBondContact O-CA 3.43Å; V282-I313 PolarHBondContact O-N 3.1Å; V282-I313 VanDerWaalsContact O-N 3.09Å
283	I	98.9	Very high	98.5	Very high	2 Å²	2	25.7 Å²	25.7	1%	0.01	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	155.9	173.3	74	176.3	0	0	0	110.6	Y214 M260 V261 D262 L263 I313 V400	Y214-I283 HydrophobicContact CD1-CD1 3.9Å; Y214-I283 HydrophobicContact CE1-CD1 4.48Å; Y214-I283 HydrophobicContact CG-CD1 4Å; M260-I283 HydrophobicContact CB-CD1 4.42Å; M260-I283 HydrophobicContact CB-CG2 4.43Å; M260-I283 HydrophobicContact CG-CG2 4.36Å; M260-I283 HydrophobicContact SD-CG2 3.94Å; V261-I283 PolarHBondContact O-N 3.1Å; D262-I283 WeakPolarHBondContact CA-O 3.4Å; D262-I283 HydrophobicContact CB-CD1 4.02Å; D262-I283 HydrophobicContact CB-CG1 3.64Å; L263-I283 PolarHBondContact N-O 3.2Å; I283-I313 CarbonylContact C-O 3.55Å; I283-I313 WeakPolarHBondContact CA-O 3.38Å; I283-I313 HydrophobicContact CB-CG2 4.01Å; I283-I313 HydrophobicContact CG2-CG2 3.65Å; I283-V400 HydrophobicContact CG2-CG1 3.85Å
284	F	98.9	Very high	98.3	Very high	8 Å²	8	28.3 Å²	28.3	4%	0.035	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	107	149.1	-67.9	-100.3	0	0	0	105.5	D262 L263 A271 H286 V299 I303 L307 I313 V314 M315	D262-F284 WeakPolarHBondContact OD1-CA 3.42Å; L263-F284 VanDerWaalsContact C-CD1 3.43Å; L263-F284 HydrophobicContact CB-CD1 3.74Å; L263-F284 HydrophobicContact CB-CD2 4.33Å; L263-F284 HydrophobicContact CB-CE1 3.41Å; L263-F284 VanDerWaalsContact CB-CE1 3.41Å; L263-F284 HydrophobicContact CB-CE2 4.04Å; L263-F284 HydrophobicContact CB-CG 4.19Å; L263-F284 HydrophobicContact CB-CZ 3.58Å; L263-F284 HydrophobicContact CD1-CE2 4.09Å; L263-F284 HydrophobicContact CD1-CZ 3.91Å; L263-F284 HydrophobicContact CG-CZ 4.4Å; L263-F284 WeakPolarHBondContact O-CD1 3.27Å; L263-F284 VanDerWaalsContact O-CE1 3.28Å; L263-F284 WeakPolarHBondContact O-CE1 3.46Å; A271-F284 HydrophobicContact CB-CZ 4.28Å; F284-H286 VanDerWaalsContact C-N 3.3Å; F284-H286 PolarHBondContact O-N 3.29Å; F284-V299 HydrophobicContact CD1-CG2 3.69Å; F284-V299 HydrophobicContact CD2-CG2 4.29Å; F284-V299 HydrophobicContact CE1-CG1 4.47Å; F284-V299 HydrophobicContact CE1-CG2 3.76Å; F284-V299 HydrophobicContact CE2-CG1 4.35Å; F284-V299 HydrophobicContact CE2-CG2 4.34Å; F284-V299 HydrophobicContact CG-CG2 3.97Å; F284-V299 HydrophobicContact CZ-CG1 4.09Å; F284-V299 HydrophobicContact CZ-CG2 4.09Å; F284-I303 HydrophobicContact CZ-CG2 4Å; F284-L307 HydrophobicContact CD2-CD1 4.38Å; F284-L307 HydrophobicContact CD2-CD2 4.2Å; F284-L307 HydrophobicContact CE2-CD1 4.16Å; F284-L307 HydrophobicContact CE2-CD2 4.27Å; F284-I313 PolarHBondContact N-O 3.21Å; F284-V314 HydrophobicContact CB-CG1 4.31Å; F284-V314 HydrophobicContact CD2-CG2 4.11Å; F284-M315 WeakPolarHBondContact O-CA 3.18Å; F284-M315 VanDerWaalsContact O-CB 3.27Å; F284-M315 WeakPolarHBondContact O-CB 3.43Å; F284-M315 PolarHBondContact O-N 3.05Å
285	S	98.9	Very high	98.1	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	-25.6	-170.8	66.3	0	0	0	0	113.6	D262 S264 M315 G353	D262-S285 VanDerWaalsContact CG-OG 3.29Å; D262-S285 PolarHBondContact OD1-N 2.92Å; D262-S285 PolarHBondContact OD1-OG 3.1Å; D262-S285 VanDerWaalsContact OD2-CB 3.3Å; D262-S285 WeakPolarHBondContact OD2-CB 3.09Å; D262-S285 PolarHBondContact OD2-OG 2.62Å; S264-S285 PolarHBondContact OG-N 2.6Å; S264-S285 VanDerWaalsContact OG-N 3.15Å; S285-M315 WeakPolarHBondContact O-CB 3.45Å; S285-G353 VanDerWaalsContact O-CA 3.25Å; S285-G353 WeakPolarHBondContact O-CA 3.21Å
286	H	98.8	Very high	97.9	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161	74.9	177.5	59.5	-73.3	0	0	0	111.2	H93 E192 S264 H265 F284 R297 M315 G353 D355	H93-H286 HydrophobicContact CB-CB 3.8Å; H93-H286 AromaticContact CD2-CE1 3.94Å; H93-H286 AromaticContact CD2-ND1 3.73Å; H93-H286 AromaticContact CE1-CE1 3.52Å; H93-H286 AromaticContact CE1-ND1 3.69Å; H93-H286 AromaticContact CG-CE1 3.79Å; H93-H286 AromaticContact CG-CG 3.73Å; H93-H286 AromaticContact CG-ND1 3.22Å; H93-H286 AromaticContact ND1-CE1 3.52Å; H93-H286 AromaticContact ND1-ND1 3.2Å; H93-H286 PolarHBondContact ND1-ND1 3.47Å; H93-H286 VanDerWaalsContact ND1-ND1 3.2Å; H93-H286 AromaticContact NE2-CE1 3.82Å; E192-H286 IonicContact OE1-CE1 3.33Å; E192-H286 PolarHBondContact OE1-CE1 2.96Å; E192-H286 IonicContact OE1-NE2 2.71Å; E192-H286 PolarHBondContact OE1-NE2 2.92Å; S264-H286 PolarHBondContact OG-N 3.28Å; H265-H286 AromaticContact CD2-CE1 3.82Å; H265-H286 AromaticContact CD2-NE2 3.41Å; H265-H286 PolarHBondContact CD2-NE2 2.89Å; H265-H286 AromaticContact NE2-CE1 3.81Å; H265-H286 AromaticContact NE2-NE2 3.05Å; H265-H286 PolarHBondContact NE2-NE2 3.41Å; F284-H286 VanDerWaalsContact C-N 3.3Å; F284-H286 PolarHBondContact O-N 3.29Å; H286-R297 PolarHBondContact CD2-NH2 2.93Å; H286-R297 PolarHBondContact NE2-NH2 3.41Å; H286-R297 PolarHBondContact O-NH2 3.5Å; H286-M315 WeakPolarHBondContact CA-O 3.49Å; H286-G353 VanDerWaalsContact CB-O 3.31Å; H286-G353 WeakPolarHBondContact CB-O 3.49Å; H286-D355 HydrophobicContact CB-CB 4.18Å; H286-D355 IonicContact CD2-OD1 2.71Å
287	S	98.8	Very high	97.7	Very high	2 Å²	2	27 Å²	27	1%	0.014	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	161	174.6	-70.6	0	0	0	0	110.2	S264 R297 M315 V316 S317	S264-S287 PolarHBondContact OG-OG 2.56Å; S287-R297 WeakPolarHBondContact CB-O 2.87Å; S287-R297 PolarHBondContact OG-O 3.35Å; S287-M315 PolarHBondContact N-O 3.43Å; S287-M315 VanDerWaalsContact N-O 3.16Å; S287-V316 VanDerWaalsContact O-CA 3.29Å; S287-V316 WeakPolarHBondContact O-CA 3Å; S287-S317 PolarHBondContact O-N 2.9Å
288	A	98.5	Very high	97.7	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.153	C	C	.	.			trans	-121.5	-174.8	177.6	0	0	0	0	0	112.4	N298 V299 V316 V322 I323 H337	A288-N298 WeakPolarHBondContact CB-OD1 3.12Å; A288-N298 PolarHBondContact N-OD1 2.97Å; A288-N298 CarbonylContact O-C 3.31Å; A288-N298 WeakPolarHBondContact O-CA 3.38Å; A288-N298 VanDerWaalsContact O-CB 3.24Å; A288-N298 WeakPolarHBondContact O-CB 3.38Å; A288-V299 PolarHBondContact O-N 3.11Å; A288-V316 HydrophobicContact CB-CG1 4.35Å; A288-V322 HydrophobicContact CB-CG1 3.76Å; A288-I323 HydrophobicContact CB-CD1 3.45Å; A288-I323 VanDerWaalsContact CB-CD1 3.45Å; A288-H337 HydrophobicContact CB-CB 4.45Å; A288-H337 WeakPolarHBondContact CB-ND1 3.32Å
289	A	98.6	Very high	97.7	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.149	C	C	.	.	B	Isolated β-bridge	trans	-79.8	124.9	-179.5	0	0	0	0	0	113.4	G291 V292 C293 H337 H340 I341	A289-G291 VanDerWaalsContact C-N 3.34Å; A289-V292 HydrophobicContact CB-CB 4.44Å; A289-V292 HydrophobicContact CB-CG2 4Å; A289-V292 PolarHBondContact O-N 3.16Å; A289-C293 PolarHBondContact O-N 2.79Å; A289-H337 HydrophobicContact CB-CB 4.24Å; A289-H337 WeakPolarHBondContact CB-ND1 3.44Å; A289-H337 PolarHBondContact N-ND1 3.34Å; A289-H337 PolarHBondContact O-CE1 2.86Å; A289-H337 VanDerWaalsContact O-CE1 3.27Å; A289-H337 PolarHBondContact O-ND1 3.14Å; A289-H340 HydrophobicContact CB-CB 4.21Å; A289-I341 HydrophobicContact CB-CD1 4.2Å; A289-I341 HydrophobicContact CB-CG1 3.84Å
290	R	98.1	Very high	97.7	Very high	39 Å²	39	21.1 Å²	21.1	15%	0.147	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-26.8	179.3	-163.1	179	-66.1	159.3	-0.8	112.8	D268 V292 C293 S295 A296 N298 V299 P300	D268-R290 VanDerWaalsContact CG-NH1 3.26Å; D268-R290 IonicContact OD1-CZ 2.77Å; D268-R290 IonicContact OD1-NH1 3.37Å; D268-R290 PolarHBondContact OD1-NH1 3.47Å; D268-R290 IonicContact OD1-NH2 3.74Å; D268-R290 PolarHBondContact OD1-NH2 3.36Å; D268-R290 IonicContact OD2-CZ 3.24Å; D268-R290 IonicContact OD2-NH1 3.18Å; D268-R290 PolarHBondContact OD2-NH1 2.9Å; D268-R290 IonicContact OD2-NH2 3.84Å; R290-V292 PolarHBondContact O-N 2.93Å; R290-C293 WeakPolarHBondContact CA-O 3.29Å; R290-C293 CarbonylContact O-C 3.54Å; R290-C293 VanDerWaalsContact O-C 3.32Å; R290-S295 PolarHBondContact NE-O 3.11Å; R290-A296 PolarHBondContact NH2-O 3.03Å; R290-N298 HydrophobicContact CB-CB 3.83Å; R290-N298 HydrophobicContact CG-CB 4.31Å; R290-N298 PolarHBondContact NE-O 3.15Å; R290-N298 PolarHBondContact NH2-O 2.66Å; R290-V299 WeakPolarHBondContact CB-O 3.26Å; R290-V299 PolarHBondContact N-O 3.12Å; R290-P300 HydrophobicContact CB-CB 4.46Å
291	G	97.6	Very high	97.7	Very high	51 Å²	51	24 Å²	24	53%	0.526	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-20.7	173.5	0	0	0	0	0	114.2	A289	A289-G291 VanDerWaalsContact C-N 3.34Å
292	V	97.6	Very high	97.7	Very high	56 Å²	56	27.2 Å²	27.2	34%	0.339	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-47.2	175.6	-176.7	0	0	0	0	111.1	A289 R290 D336 H340	A289-V292 HydrophobicContact CB-CB 4.44Å; A289-V292 HydrophobicContact CB-CG2 4Å; A289-V292 PolarHBondContact O-N 3.16Å; R290-V292 PolarHBondContact O-N 2.93Å; V292-D336 HydrophobicContact CG1-CB 4.09Å; V292-H340 HydrophobicContact CG2-CB 3.42Å; V292-H340 VanDerWaalsContact CG2-CB 3.42Å
293	C	95.6	Very high	97.7	Very high	3 Å²	3	27.3 Å²	27.3	2%	0.02	17%	0.165	C	C	.	.	S	Bend	trans	-128	114.5	176.5	173.6	0	0	0	0	110.7	A289 R290 S295 N298 C325	A289-C293 PolarHBondContact O-N 2.79Å; R290-C293 WeakPolarHBondContact CA-O 3.29Å; R290-C293 CarbonylContact O-C 3.54Å; R290-C293 VanDerWaalsContact O-C 3.32Å; C293-S295 VanDerWaalsContact C-N 3.26Å; C293-S295 PolarHBondContact O-N 3.11Å; C293-N298 PolarHBondContact O-ND2 3.49Å; C293-C325 VanDerWaalsContact C-SG 3.53Å; C293-C325 WeakPolarHBondContact CA-SG 3.35Å; C293-C325 HydrophobicContact CB-CB 3.61Å; C293-C325 WeakPolarHBondContact CB-SG 3.19Å; C293-C325 WeakPolarHBondContact SG-CB 3.27Å; C293-C325 PolarHBondContact SG-N 3.27Å; C293-C325 CovalentContact SG-SG 2.03Å; C293-C325 PolarHBondContact SG-SG 3.19Å
294	N	95.2	Very high	97.7	Very high	141 Å²	141	27.2 Å²	27.2	75%	0.754	16%	0.164	S	C	*	.			trans	-73.6	76	-178.3	-171.5	23.9	0	0	0	112.4	C325	N294-C325 PolarHBondContact N-SG 3.12Å; N294-C325 VanDerWaalsContact N-SG 3.44Å
295	S	94.1	Very high	97.7	Very high	23 Å²	23	31.2 Å²	31.2	16%	0.161	18%	0.183	C	C	.	.			trans	-119.9	143	174.9	174.7	0	0	0	0	110.3	R290 C293 R297 N298	R290-S295 PolarHBondContact NE-O 3.11Å; C293-S295 VanDerWaalsContact C-N 3.26Å; C293-S295 PolarHBondContact O-N 3.11Å; S295-R297 PolarHBondContact O-N 3.47Å; S295-R297 PolarHBondContact OG-N 3.37Å; S295-N298 WeakPolarHBondContact O-CB 3.44Å; S295-N298 PolarHBondContact O-N 3.05Å
296	A	94.9	Very high	97.7	Very high	54 Å²	54	33.8 Å²	33.8	45%	0.446	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-20.3	174.3	0	0	0	0	0	112.7	S229 R290 N298	S229-A296 WeakPolarHBondContact CB-O 2.98Å; R290-A296 PolarHBondContact NH2-O 3.03Å; A296-N298 VanDerWaalsContact C-N 3.28Å
297	R	95.4	Very high	97.7	Very high	34 Å²	34	33.8 Å²	33.8	13%	0.128	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-17.1	174	-69.3	-75.6	-69.7	128.2	0.3	113.7	H265 H286 S287 S295	H265-R297 VanDerWaalsContact CD2-CZ 3.46Å; H265-R297 PolarHBondContact CD2-NH1 3.39Å; H265-R297 PolarHBondContact CD2-NH2 3.25Å; H265-R297 PolarHBondContact CE1-NH2 2.9Å; H265-R297 PolarHBondContact ND1-NH1 3.49Å; H265-R297 PolarHBondContact NE2-NH1 3.41Å; H265-R297 PolarHBondContact NE2-NH2 3.05Å; H286-R297 PolarHBondContact CD2-NH2 2.93Å; H286-R297 PolarHBondContact NE2-NH2 3.41Å; H286-R297 PolarHBondContact O-NH2 3.5Å; S287-R297 WeakPolarHBondContact CB-O 2.87Å; S287-R297 PolarHBondContact OG-O 3.35Å; S295-R297 PolarHBondContact O-N 3.47Å; S295-R297 PolarHBondContact OG-N 3.37Å
298	N	98.3	Very high	97.7	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.011	21%	0.214	C	C	.	.	S	Bend	trans	-96	154	-176.2	-68.8	-14.9	0	0	0	111.5	A288 R290 C293 S295 A296 V322	A288-N298 WeakPolarHBondContact CB-OD1 3.12Å; A288-N298 PolarHBondContact N-OD1 2.97Å; A288-N298 CarbonylContact O-C 3.31Å; A288-N298 WeakPolarHBondContact O-CA 3.38Å; A288-N298 VanDerWaalsContact O-CB 3.24Å; A288-N298 WeakPolarHBondContact O-CB 3.38Å; R290-N298 HydrophobicContact CB-CB 3.83Å; R290-N298 HydrophobicContact CG-CB 4.31Å; R290-N298 PolarHBondContact NE-O 3.15Å; R290-N298 PolarHBondContact NH2-O 2.66Å; C293-N298 PolarHBondContact O-ND2 3.49Å; S295-N298 WeakPolarHBondContact O-CB 3.44Å; S295-N298 PolarHBondContact O-N 3.05Å; A296-N298 VanDerWaalsContact C-N 3.28Å; N298-V322 PolarHBondContact ND2-O 3.38Å; N298-V322 WeakPolarHBondContact OD1-CG1 3.48Å
299	V	98.8	Very high	97.7	Very high	3 Å²	3	46.8 Å²	46.8	2%	0.018	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	-88.2	124.3	-174.9	-167.6	0	0	0	0	110.2	F284 A288 R290 I303 L304 V314	F284-V299 HydrophobicContact CD1-CG2 3.69Å; F284-V299 HydrophobicContact CD2-CG2 4.29Å; F284-V299 HydrophobicContact CE1-CG1 4.47Å; F284-V299 HydrophobicContact CE1-CG2 3.76Å; F284-V299 HydrophobicContact CE2-CG1 4.35Å; F284-V299 HydrophobicContact CE2-CG2 4.34Å; F284-V299 HydrophobicContact CG-CG2 3.97Å; F284-V299 HydrophobicContact CZ-CG1 4.09Å; F284-V299 HydrophobicContact CZ-CG2 4.09Å; A288-V299 PolarHBondContact O-N 3.11Å; R290-V299 WeakPolarHBondContact CB-O 3.26Å; R290-V299 PolarHBondContact N-O 3.12Å; V299-I303 HydrophobicContact CG1-CB 3.91Å; V299-I303 HydrophobicContact CG1-CG2 3.6Å; V299-L304 HydrophobicContact CB-CD2 3.98Å; V299-L304 HydrophobicContact CB-CG 4.39Å; V299-L304 HydrophobicContact CG1-CD2 3.69Å; V299-L304 HydrophobicContact CG1-CG 3.97Å; V299-V314 HydrophobicContact CG2-CG1 4.41Å; V299-V314 HydrophobicContact CG2-CG2 4.4Å
300	P	98.8	Very high	97.7	Very high	16 Å²	16	48.2 Å²	48.2	10%	0.104	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-75.9	154.9	175	33.1	-34.5	0	0	0	111.7	R290 D302 I303 L304	R290-P300 HydrophobicContact CB-CB 4.46Å; P300-D302 VanDerWaalsContact C-N 3.26Å; P300-D302 WeakPolarHBondContact CB-OD1 3.36Å; P300-D302 WeakPolarHBondContact CG-OD1 3.39Å; P300-D302 PolarHBondContact O-N 3.11Å; P300-I303 HydrophobicContact CG-CB 3.91Å; P300-I303 HydrophobicContact CG-CD1 3.59Å; P300-I303 HydrophobicContact CG-CG1 3.73Å; P300-I303 PolarHBondContact O-N 3.35Å; P300-L304 PolarHBondContact O-N 3.25Å
301	D	98.9	Very high	97.8	Very high	62 Å²	62	47.5 Å²	47.5	33%	0.332	27%	0.265	S	S	.	.	H	α-helix	trans	-60.4	-32.8	-170.8	-67.6	1.7	0	0	0	113.9	L304 Q305 H340 V344	D301-L304 WeakPolarHBondContact O-CB 3.41Å; D301-L304 PolarHBondContact O-N 3.19Å; D301-Q305 WeakPolarHBondContact O-CG 3.48Å; D301-Q305 PolarHBondContact O-N 2.73Å; D301-H340 IonicContact OD1-CD2 3.92Å; D301-H340 IonicContact OD1-CE1 3.02Å; D301-H340 IonicContact OD1-NE2 3.92Å; D301-H340 PolarHBondContact OD1-NE2 3.08Å; D301-H340 IonicContact OD2-CE1 3.34Å; D301-H340 IonicContact OD2-NE2 2.78Å; D301-H340 PolarHBondContact OD2-NE2 3.11Å; D301-V344 HydrophobicContact CB-CG1 4.16Å
302	D	98.8	Very high	97.8	Very high	75 Å²	75	45.1 Å²	45.1	40%	0.401	24%	0.24	S	C	.	.	H	α-helix	trans	-72	-32.8	177.4	65	-25.4	0	0	0	112.6	R272 P300 Q305 L306	R272-D302 IonicContact CZ-OD2 3.98Å; R272-D302 IonicContact NH1-OD1 3.72Å; R272-D302 IonicContact NH1-OD2 2.76Å; R272-D302 PolarHBondContact NH1-OD2 3.44Å; R272-D302 VanDerWaalsContact NH2-CG 3.31Å; R272-D302 IonicContact NH2-OD1 3.49Å; R272-D302 PolarHBondContact NH2-OD1 3.27Å; R272-D302 IonicContact NH2-OD2 3.58Å; R272-D302 PolarHBondContact NH2-OD2 2.92Å; P300-D302 VanDerWaalsContact C-N 3.26Å; P300-D302 WeakPolarHBondContact CB-OD1 3.36Å; P300-D302 WeakPolarHBondContact CG-OD1 3.39Å; P300-D302 PolarHBondContact O-N 3.11Å; D302-Q305 PolarHBondContact O-N 3.49Å; D302-L306 PolarHBondContact O-N 3.12Å
303	I	98.9	Very high	97.9	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.01	22%	0.224	C	C	.	.	H	α-helix	trans	-71.5	-34.9	168.8	-65.6	-178.6	0	0	0	110.9	D268 A271 R272 L275 F284 V299 P300 Q305 L306 L307	D268-I303 HydrophobicContact CB-CD1 3.84Å; A271-I303 HydrophobicContact CB-CD1 3.94Å; A271-I303 HydrophobicContact CB-CG2 4.23Å; R272-I303 HydrophobicContact CG-CD1 4.22Å; R272-I303 HydrophobicContact CG-CG1 4.08Å; L275-I303 HydrophobicContact CD1-CG2 3.77Å; F284-I303 HydrophobicContact CZ-CG2 4Å; V299-I303 HydrophobicContact CG1-CB 3.91Å; V299-I303 HydrophobicContact CG1-CG2 3.6Å; P300-I303 HydrophobicContact CG-CB 3.91Å; P300-I303 HydrophobicContact CG-CD1 3.59Å; P300-I303 HydrophobicContact CG-CG1 3.73Å; P300-I303 PolarHBondContact O-N 3.35Å; I303-Q305 VanDerWaalsContact C-N 3.3Å; I303-Q305 PolarHBondContact O-N 2.89Å; I303-L306 PolarHBondContact O-N 3.1Å; I303-L306 VanDerWaalsContact O-N 3.17Å; I303-L307 WeakPolarHBondContact O-CB 3.31Å; I303-L307 PolarHBondContact O-N 2.8Å
304	L	98.9	Very high	98.1	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-57.3	-44.5	170.3	-67	178.2	0	0	0	110.6	V299 P300 D301 L306 L307 K308 V314 I341 V344 I345	V299-L304 HydrophobicContact CB-CD2 3.98Å; V299-L304 HydrophobicContact CB-CG 4.39Å; V299-L304 HydrophobicContact CG1-CD2 3.69Å; V299-L304 HydrophobicContact CG1-CG 3.97Å; P300-L304 PolarHBondContact O-N 3.25Å; D301-L304 WeakPolarHBondContact O-CB 3.41Å; D301-L304 PolarHBondContact O-N 3.19Å; L304-L306 VanDerWaalsContact C-N 3.33Å; L304-L306 PolarHBondContact O-N 3.08Å; L304-L307 WeakPolarHBondContact O-CB 3.46Å; L304-L307 PolarHBondContact O-N 3.34Å; L304-L307 VanDerWaalsContact O-N 3.14Å; L304-K308 PolarHBondContact O-N 3.34Å; L304-V314 HydrophobicContact CD2-CG2 3.64Å; L304-I341 HydrophobicContact CD1-CG1 4.21Å; L304-I341 HydrophobicContact CD1-CG2 4.49Å; L304-I341 HydrophobicContact CD2-CG2 4.25Å; L304-V344 HydrophobicContact CB-CG1 4.12Å; L304-V344 HydrophobicContact CD1-CB 4.26Å; L304-V344 HydrophobicContact CD1-CG1 4.19Å; L304-I345 HydrophobicContact CB-CD1 4.12Å; L304-I345 HydrophobicContact CB-CG2 3.86Å; L304-I345 HydrophobicContact CD2-CD1 4.02Å; L304-I345 WeakPolarHBondContact O-CG2 3.37Å
305	Q	98.9	Very high	98.2	Very high	92 Å²	92	35.6 Å²	35.6	43%	0.43	19%	0.187	S	C	.	.	H	α-helix	trans	-61.5	-38.5	176	-65.9	-58.3	-24.3	0	0	113	D301 D302 I303 K308 K309 V344	D301-Q305 WeakPolarHBondContact O-CG 3.48Å; D301-Q305 PolarHBondContact O-N 2.73Å; D302-Q305 PolarHBondContact O-N 3.49Å; I303-Q305 VanDerWaalsContact C-N 3.3Å; I303-Q305 PolarHBondContact O-N 2.89Å; Q305-K308 WeakPolarHBondContact O-CB 3.46Å; Q305-K308 PolarHBondContact O-N 3.02Å; Q305-K309 PolarHBondContact O-N 3.4Å; Q305-V344 VanDerWaalsContact NE2-CG1 3.34Å; Q305-V344 PolarHBondContact NE2-O 3.11Å
306	L	98.9	Very high	98.5	Very high	54 Å²	54	34.5 Å²	34.5	28%	0.283	18%	0.18	S	C	.	.	H	α-helix	trans	-64.8	-41.4	173.4	-67.4	175.6	0	0	0	111.7	R272 L275 D302 I303 L304 K308 K309 N310	R272-L306 HydrophobicContact CB-CD1 4.32Å; R272-L306 HydrophobicContact CG-CD1 3.84Å; L275-L306 HydrophobicContact CB-CB 4.39Å; L275-L306 HydrophobicContact CD1-CB 3.75Å; D302-L306 PolarHBondContact O-N 3.12Å; I303-L306 PolarHBondContact O-N 3.1Å; I303-L306 VanDerWaalsContact O-N 3.17Å; L304-L306 VanDerWaalsContact C-N 3.33Å; L304-L306 PolarHBondContact O-N 3.08Å; L306-K308 VanDerWaalsContact C-N 3.32Å; L306-K308 PolarHBondContact O-N 3.03Å; L306-K309 WeakPolarHBondContact O-CB 2.99Å; L306-K309 PolarHBondContact O-N 3.5Å; L306-K309 VanDerWaalsContact O-N 3.16Å; L306-N310 WeakPolarHBondContact O-CB 3.36Å; L306-N310 PolarHBondContact O-N 3.44Å
307	L	98.9	Very high	98.6	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-61.2	-40.9	175.5	-173.9	71	0	0	0	111.9	L275 V282 F284 I303 L304 K309 N310 G311 G312 V314 I345	L275-L307 HydrophobicContact CD2-CB 4.4Å; L275-L307 HydrophobicContact CD2-CD1 3.89Å; V282-L307 HydrophobicContact CG2-CD1 3.59Å; F284-L307 HydrophobicContact CD2-CD1 4.38Å; F284-L307 HydrophobicContact CD2-CD2 4.2Å; F284-L307 HydrophobicContact CE2-CD1 4.16Å; F284-L307 HydrophobicContact CE2-CD2 4.27Å; I303-L307 WeakPolarHBondContact O-CB 3.31Å; I303-L307 PolarHBondContact O-N 2.8Å; L304-L307 WeakPolarHBondContact O-CB 3.46Å; L304-L307 PolarHBondContact O-N 3.34Å; L304-L307 VanDerWaalsContact O-N 3.14Å; L307-K309 VanDerWaalsContact C-N 3.31Å; L307-K309 PolarHBondContact O-N 3.31Å; L307-N310 PolarHBondContact O-N 3.09Å; L307-G311 PolarHBondContact O-N 3.39Å; L307-G312 PolarHBondContact O-N 3.1Å; L307-V314 HydrophobicContact CD2-CB 4.48Å; L307-V314 HydrophobicContact CD2-CG2 3.3Å; L307-I345 HydrophobicContact CD2-CD1 4.45Å
308	K	98.8	Very high	98.7	Very high	89 Å²	89	30.3 Å²	30.3	39%	0.387	15%	0.152	S	C	.	.	H	α-helix	trans	-58.6	-41.3	173.8	169	165.2	-171.3	157.9	0	112.4	L304 Q305 L306 I345 F349	L304-K308 PolarHBondContact O-N 3.34Å; Q305-K308 WeakPolarHBondContact O-CB 3.46Å; Q305-K308 PolarHBondContact O-N 3.02Å; L306-K308 VanDerWaalsContact C-N 3.32Å; L306-K308 PolarHBondContact O-N 3.03Å; K308-I345 HydrophobicContact CB-CB 4.04Å; K308-I345 HydrophobicContact CB-CG2 3.77Å; K308-I345 HydrophobicContact CD-CB 3.92Å; K308-I345 HydrophobicContact CD-CG2 3.91Å; K308-I345 PolarHBondContact NZ-O 3.25Å; K308-F349 HydrophobicContact CB-CD2 4.46Å; K308-F349 HydrophobicContact CB-CE1 4.46Å; K308-F349 HydrophobicContact CB-CE2 3.96Å; K308-F349 HydrophobicContact CB-CZ 3.95Å; K308-F349 HydrophobicContact CD-CE2 3.95Å; K308-F349 HydrophobicContact CD-CZ 4.42Å; K308-F349 HydrophobicContact CG-CE2 3.62Å; K308-F349 HydrophobicContact CG-CZ 3.61Å
309	K	98.7	Very high	98.4	Very high	186 Å²	186	30.3 Å²	30.3	81%	0.809	15%	0.152	S	C	*	.	H	α-helix	trans	-68.6	-40.7	175.3	-175.8	-178	176.7	-174.4	0	112	Q305 L306 L307 G311	Q305-K309 PolarHBondContact O-N 3.4Å; L306-K309 WeakPolarHBondContact O-CB 2.99Å; L306-K309 PolarHBondContact O-N 3.5Å; L306-K309 VanDerWaalsContact O-N 3.16Å; L307-K309 VanDerWaalsContact C-N 3.31Å; L307-K309 PolarHBondContact O-N 3.31Å; K309-G311 VanDerWaalsContact C-N 3.31Å
310	N	98.8	Very high	97.9	Very high	31 Å²	31	31.7 Å²	31.7	17%	0.166	16%	0.159	C	C	.	.	H	α-helix	trans	-68.1	-29	177.5	168.6	-97.6	0	0	0	112.6	L275 A280 P281 V282 L306 L307 G312	L275-N310 HydrophobicContact CD2-CB 3.63Å; A280-N310 PolarHBondContact O-ND2 3.1Å; A280-N310 VanDerWaalsContact O-ND2 3.09Å; P281-N310 VanDerWaalsContact CA-OD1 3.24Å; P281-N310 WeakPolarHBondContact CA-OD1 3.46Å; V282-N310 PolarHBondContact N-OD1 3.05Å; L306-N310 WeakPolarHBondContact O-CB 3.36Å; L306-N310 PolarHBondContact O-N 3.44Å; L307-N310 PolarHBondContact O-N 3.09Å; N310-G312 PolarHBondContact OD1-N 3Å
311	G	98.8	Very high	96.9	Very high	24 Å²	24	32.1 Å²	32.1	25%	0.247	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.7	12.3	-178.3	0	0	0	0	0	114.4	P281 L307 K309	P281-G311 WeakPolarHBondContact CB-O 3.35Å; L307-G311 PolarHBondContact O-N 3.39Å; K309-G311 VanDerWaalsContact C-N 3.31Å
312	G	98.9	Very high	96.1	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.151	C	C	.	.			trans	-74.2	-159.5	-176.8	0	0	0	0	0	115.1	V282 L307 N310 F349 R399	V282-G312 CarbonylContact O-C 3.57Å; V282-G312 WeakPolarHBondContact O-CA 3.43Å; L307-G312 PolarHBondContact O-N 3.1Å; N310-G312 PolarHBondContact OD1-N 3Å; G312-F349 WeakPolarHBondContact O-CD1 3.36Å; G312-R399 PolarHBondContact O-NH2 3.4Å
313	I	98.9	Very high	95.6	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	141.9	-178.5	-172.8	177.5	0	0	0	111.1	V282 I283 F284 M315 F349 N396 L397 V400	V282-I313 PolarHBondContact O-N 3.1Å; V282-I313 VanDerWaalsContact O-N 3.09Å; I283-I313 CarbonylContact C-O 3.55Å; I283-I313 WeakPolarHBondContact CA-O 3.38Å; I283-I313 HydrophobicContact CB-CG2 4.01Å; I283-I313 HydrophobicContact CG2-CG2 3.65Å; F284-I313 PolarHBondContact N-O 3.21Å; I313-M315 HydrophobicContact CD1-CG 4.19Å; I313-M315 HydrophobicContact CG1-CG 4.28Å; I313-M315 HydrophobicContact CG2-CG 4.31Å; I313-F349 CarbonylContact C-O 3.52Å; I313-F349 WeakPolarHBondContact CA-O 3.37Å; I313-N396 HydrophobicContact CD1-CB 3.58Å; I313-N396 HydrophobicContact CG1-CB 4.44Å; I313-L397 HydrophobicContact CD1-CB 4.39Å; I313-V400 HydrophobicContact CB-CG2 4.07Å; I313-V400 HydrophobicContact CG2-CB 4.41Å; I313-V400 HydrophobicContact CG2-CG1 4.44Å; I313-V400 HydrophobicContact CG2-CG2 3.93Å
314	V	98.9	Very high	94.5	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	116.7	163.6	-175.4	0	0	0	0	108.3	F284 V299 L304 L307 I341 F349 I350 G351	F284-V314 HydrophobicContact CB-CG1 4.31Å; F284-V314 HydrophobicContact CD2-CG2 4.11Å; V299-V314 HydrophobicContact CG2-CG1 4.41Å; V299-V314 HydrophobicContact CG2-CG2 4.4Å; L304-V314 HydrophobicContact CD2-CG2 3.64Å; L307-V314 HydrophobicContact CD2-CB 4.48Å; L307-V314 HydrophobicContact CD2-CG2 3.3Å; V314-I341 HydrophobicContact CB-CD1 4.36Å; V314-I341 HydrophobicContact CG1-CD1 4.05Å; V314-F349 PolarHBondContact N-O 3.12Å; V314-I350 CarbonylContact O-C 3.53Å; V314-I350 WeakPolarHBondContact O-CA 3.49Å; V314-G351 PolarHBondContact O-N 3.41Å
315	M	98.9	Very high	93.7	Very high	1 Å²	1	35 Å²	35	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	108.8	172.9	-54.5	-178.2	79.5	0	0	107.4	G92 F284 S285 H286 S287 I313 S317 G351 I352 L397	G92-M315 VanDerWaalsContact N-CE 3.34Å; F284-M315 WeakPolarHBondContact O-CA 3.18Å; F284-M315 VanDerWaalsContact O-CB 3.27Å; F284-M315 WeakPolarHBondContact O-CB 3.43Å; F284-M315 PolarHBondContact O-N 3.05Å; S285-M315 WeakPolarHBondContact O-CB 3.45Å; H286-M315 WeakPolarHBondContact CA-O 3.49Å; S287-M315 PolarHBondContact N-O 3.43Å; S287-M315 VanDerWaalsContact N-O 3.16Å; I313-M315 HydrophobicContact CD1-CG 4.19Å; I313-M315 HydrophobicContact CG1-CG 4.28Å; I313-M315 HydrophobicContact CG2-CG 4.31Å; M315-S317 PolarHBondContact O-N 3.27Å; M315-G351 WeakPolarHBondContact CA-O 3.22Å; M315-I352 WeakPolarHBondContact CE-O 3.31Å; M315-L397 HydrophobicContact CE-CB 4.49Å; M315-L397 HydrophobicContact CE-CD2 4.44Å; M315-L397 HydrophobicContact CE-CG 4.27Å; M315-L397 HydrophobicContact SD-CD2 4.27Å
316	V	98.9	Very high	92.8	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	124.3	-167.1	-177.4	0	0	0	0	110.1	S287 A288 H337 F338 I341 I350 G351 G353	S287-V316 VanDerWaalsContact O-CA 3.29Å; S287-V316 WeakPolarHBondContact O-CA 3Å; A288-V316 HydrophobicContact CB-CG1 4.35Å; V316-H337 HydrophobicContact CG1-CB 4.15Å; V316-F338 HydrophobicContact CB-CD2 4.18Å; V316-F338 HydrophobicContact CB-CE1 4.17Å; V316-F338 HydrophobicContact CB-CE2 3.52Å; V316-F338 HydrophobicContact CB-CZ 3.51Å; V316-F338 HydrophobicContact CG1-CD2 3.97Å; V316-F338 HydrophobicContact CG1-CE2 3.5Å; V316-F338 HydrophobicContact CG1-CZ 4.06Å; V316-F338 HydrophobicContact CG2-CD1 4.3Å; V316-F338 HydrophobicContact CG2-CD2 4.22Å; V316-F338 HydrophobicContact CG2-CE1 4.04Å; V316-F338 HydrophobicContact CG2-CE2 3.98Å; V316-F338 HydrophobicContact CG2-CG 4.37Å; V316-F338 HydrophobicContact CG2-CZ 3.89Å; V316-I341 HydrophobicContact CG2-CD1 3.74Å; V316-I350 HydrophobicContact CG2-CG2 3.99Å; V316-G351 PolarHBondContact N-O 2.74Å; V316-G353 PolarHBondContact O-N 3.01Å
317	S	98	Very high	92.1	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.202	C	C	.	.			trans	-74.3	143.7	174.9	-176.1	0	0	0	0	112.7	S287 M315 S319 I323 G353 D355	S287-S317 PolarHBondContact O-N 2.9Å; M315-S317 PolarHBondContact O-N 3.27Å; S317-S319 WeakPolarHBondContact OG-CB 3.37Å; S317-S319 PolarHBondContact OG-N 3.37Å; S317-I323 WeakPolarHBondContact O-CD1 2.78Å; S317-I323 WeakPolarHBondContact O-CG1 3.45Å; S317-G353 WeakPolarHBondContact CA-O 3.45Å; S317-D355 WeakPolarHBondContact OG-CB 3.43Å
318	L	96.8	Very high	91.6	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.234	C	C	.	.			trans	-101.6	-10	176.9	-49	-178.9	0	0	0	111.5	V334 I352 G354 Y356 F362 P363 L366 Y372 L375	L318-V334 HydrophobicContact CD2-CG1 3.42Å; L318-V334 VanDerWaalsContact CD2-CG1 3.42Å; L318-V334 HydrophobicContact CD2-CG2 4.45Å; L318-I352 HydrophobicContact CD1-CG2 4.42Å; L318-G354 PolarHBondContact N-O 3.2Å; L318-Y356 HydrophobicContact CD1-CE2 3.89Å; L318-F362 HydrophobicContact CB-CD1 4.13Å; L318-F362 HydrophobicContact CB-CE1 4.15Å; L318-F362 WeakPolarHBondContact O-CD1 3.37Å; L318-P363 WeakPolarHBondContact O-CD 3.03Å; L318-P363 WeakPolarHBondContact O-CG 3.35Å; L318-L366 HydrophobicContact CD2-CD1 4.3Å; L318-Y372 HydrophobicContact CD1-CD1 4.14Å; L318-Y372 HydrophobicContact CD1-CE1 3.79Å; L318-L375 HydrophobicContact CD2-CD2 3.84Å
319	S	91.7	Very high	91.3	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.007	22%	0.218	C	C	.	.			trans	-66.1	138.2	-174.1	155.7	0	0	0	0	112.1	S317 G321 V322 I323 D355 A359	S317-S319 WeakPolarHBondContact OG-CB 3.37Å; S317-S319 PolarHBondContact OG-N 3.37Å; S319-G321 PolarHBondContact O-N 3.3Å; S319-G321 VanDerWaalsContact O-N 3.09Å; S319-G321 WeakPolarHBondContact OG-CA 3.37Å; S319-G321 PolarHBondContact OG-N 3.12Å; S319-V322 PolarHBondContact O-N 3.44Å; S319-I323 PolarHBondContact O-N 3Å; S319-D355 WeakPolarHBondContact CB-OD2 3.21Å; S319-D355 PolarHBondContact OG-OD2 2.99Å; S319-A359 WeakPolarHBondContact OG-CB 3.02Å
320	M	88.5	Confident	91.2	Very high	33 Å²	33	31.2 Å²	31.2	16%	0.163	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-7.4	168.7	-70.1	-58.3	-68.4	0	0	112.2	V322 Q324 N326 A329 K361 P363	M320-V322 VanDerWaalsContact C-N 3.29Å; M320-Q324 WeakPolarHBondContact O-CG 3.24Å; M320-N326 WeakPolarHBondContact CE-O 3.42Å; M320-A329 HydrophobicContact CE-CB 3.97Å; M320-A329 HydrophobicContact SD-CB 3.65Å; M320-K361 HydrophobicContact CB-CB 3.98Å; M320-K361 VanDerWaalsContact CB-O 3.24Å; M320-K361 WeakPolarHBondContact CB-O 3.4Å; M320-K361 HydrophobicContact CG-CB 3.98Å; M320-K361 WeakPolarHBondContact CG-O 3.42Å; M320-K361 PolarHBondContact N-O 3.5Å; M320-K361 VanDerWaalsContact N-O 3.12Å; M320-P363 HydrophobicContact SD-CG 3.88Å
321	G	77.7	Confident	91.1	Very high	25 Å²	25	30.8 Å²	30.8	26%	0.258	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-10.5	167.8	0	0	0	0	0	114	S319 Q324	S319-G321 PolarHBondContact O-N 3.3Å; S319-G321 VanDerWaalsContact O-N 3.09Å; S319-G321 WeakPolarHBondContact OG-CA 3.37Å; S319-G321 PolarHBondContact OG-N 3.12Å; G321-Q324 VanDerWaalsContact C-NE2 3.29Å; G321-Q324 PolarHBondContact O-NE2 2.95Å
322	V	83.1	Confident	91.1	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.006	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.9	-39.1	-178.7	-177.5	0	0	0	0	111.1	A288 N298 S319 M320 Q324	A288-V322 HydrophobicContact CB-CG1 3.76Å; N298-V322 PolarHBondContact ND2-O 3.38Å; N298-V322 WeakPolarHBondContact OD1-CG1 3.48Å; S319-V322 PolarHBondContact O-N 3.44Å; M320-V322 VanDerWaalsContact C-N 3.29Å; V322-Q324 PolarHBondContact O-N 3.36Å
323	I	87.3	Confident	91	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.01	20%	0.201	C	C	.	.	S	Bend	trans	-88.3	27.5	178.6	-46.8	-67.7	0	0	0	111.6	A288 S317 S319 C325 A329 T333 H337	A288-I323 HydrophobicContact CB-CD1 3.45Å; A288-I323 VanDerWaalsContact CB-CD1 3.45Å; S317-I323 WeakPolarHBondContact O-CD1 2.78Å; S317-I323 WeakPolarHBondContact O-CG1 3.45Å; S319-I323 PolarHBondContact O-N 3Å; I323-C325 PolarHBondContact O-N 3.21Å; I323-A329 HydrophobicContact CG2-CB 4.42Å; I323-T333 HydrophobicContact CG2-CG2 3.93Å; I323-H337 VanDerWaalsContact CD1-CD2 3.48Å; I323-H337 WeakPolarHBondContact CD1-CD2 3.24Å; I323-H337 WeakPolarHBondContact CD1-NE2 3.41Å
324	Q	77.2	Confident	90.9	Very high	117 Å²	117	32.6 Å²	32.6	55%	0.547	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-16.5	-167.1	-77.6	-175.7	38.6	0	0	116.9	M320 G321 V322 N326	M320-Q324 WeakPolarHBondContact O-CG 3.24Å; G321-Q324 VanDerWaalsContact C-NE2 3.29Å; G321-Q324 PolarHBondContact O-NE2 2.95Å; V322-Q324 PolarHBondContact O-N 3.36Å; Q324-N326 PolarHBondContact O-N 3.24Å; Q324-N326 VanDerWaalsContact O-N 3.1Å
325	C	81.8	Confident	90.9	Very high	78 Å²	78	32.6 Å²	32.6	53%	0.527	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-8.1	-169.1	-63.1	0	0	0	0	114.4	C293 N294 I323	C293-C325 VanDerWaalsContact C-SG 3.53Å; C293-C325 WeakPolarHBondContact CA-SG 3.35Å; C293-C325 HydrophobicContact CB-CB 3.61Å; C293-C325 WeakPolarHBondContact CB-SG 3.19Å; C293-C325 WeakPolarHBondContact SG-CB 3.27Å; C293-C325 PolarHBondContact SG-N 3.27Å; C293-C325 CovalentContact SG-SG 2.03Å; C293-C325 PolarHBondContact SG-SG 3.19Å; N294-C325 PolarHBondContact N-SG 3.12Å; N294-C325 VanDerWaalsContact N-SG 3.44Å; I323-C325 PolarHBondContact O-N 3.21Å
326	N	80.4	Confident	90.9	Very high	62 Å²	62	35.6 Å²	35.6	33%	0.332	22%	0.217	S	C	.	.			trans	-133.3	106.1	174.6	-177.8	-0.8	0	0	0	110.5	M320 Q324 S328 A329 T333	M320-N326 WeakPolarHBondContact CE-O 3.42Å; Q324-N326 PolarHBondContact O-N 3.24Å; Q324-N326 VanDerWaalsContact O-N 3.1Å; N326-S328 PolarHBondContact O-N 2.99Å; N326-S328 WeakPolarHBondContact OD1-CA 3.48Å; N326-S328 PolarHBondContact OD1-N 3.28Å; N326-A329 HydrophobicContact CB-CB 4.29Å; N326-A329 WeakPolarHBondContact O-CB 3.29Å; N326-A329 PolarHBondContact O-N 3.47Å; N326-T333 HydrophobicContact CB-CG2 4.29Å
327	P	83.9	Confident	90.9	Very high	121 Å²	121	35.7 Å²	35.7	79%	0.786	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	-18.5	177.6	-24.3	34.2	0	0	0	114.6
328	S	87.8	Confident	90.9	Very high	96 Å²	96	35.7 Å²	35.7	67%	0.671	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.1	31.4	176.8	-57.2	0	0	0	0	111.6	N326	N326-S328 PolarHBondContact O-N 2.99Å; N326-S328 WeakPolarHBondContact OD1-CA 3.48Å; N326-S328 PolarHBondContact OD1-N 3.28Å
329	A	93.3	Very high	91	Very high	5 Å²	5	38.1 Å²	38.1	4%	0.041	23%	0.23	C	C	.	.			trans	-55.8	145.2	177.2	0	0	0	0	0	111.4	M320 I323 N326 T333 P363 Q364	M320-A329 HydrophobicContact CE-CB 3.97Å; M320-A329 HydrophobicContact SD-CB 3.65Å; I323-A329 HydrophobicContact CG2-CB 4.42Å; N326-A329 HydrophobicContact CB-CB 4.29Å; N326-A329 WeakPolarHBondContact O-CB 3.29Å; N326-A329 PolarHBondContact O-N 3.47Å; A329-T333 HydrophobicContact CB-CG2 3.92Å; A329-P363 HydrophobicContact CB-CB 4.12Å; A329-P363 HydrophobicContact CB-CG 4.18Å; A329-P363 CarbonylContact O-C 3.55Å; A329-P363 VanDerWaalsContact O-CA 3.24Å; A329-P363 WeakPolarHBondContact O-CA 3.5Å; A329-P363 WeakPolarHBondContact O-CB 3.47Å; A329-Q364 PolarHBondContact O-N 3.25Å
330	N	96.1	Very high	91.4	Very high	58 Å²	58	40.2 Å²	40.2	31%	0.31	24%	0.24	S	C	.	.	B	Isolated β-bridge	trans	-134.7	-176.8	175.1	61.3	19.6	0	0	0	109.6	S332 T333 V334 Q364	N330-S332 PolarHBondContact O-N 3.42Å; N330-S332 VanDerWaalsContact OD1-CB 3.29Å; N330-S332 WeakPolarHBondContact OD1-CB 3.46Å; N330-S332 PolarHBondContact OD1-N 3.24Å; N330-S332 VanDerWaalsContact OD1-N 3.08Å; N330-T333 PolarHBondContact N-OG1 2.77Å; N330-T333 WeakPolarHBondContact O-CB 3.42Å; N330-T333 PolarHBondContact O-N 2.93Å; N330-T333 PolarHBondContact OD1-N 3.49Å; N330-T333 VanDerWaalsContact OD1-N 3.09Å; N330-T333 PolarHBondContact OD1-OG1 3.44Å; N330-V334 PolarHBondContact O-N 3.27Å; N330-Q364 CarbonylContact C-O 3.57Å; N330-Q364 VanDerWaalsContact CA-O 3.3Å; N330-Q364 WeakPolarHBondContact CA-O 3.3Å; N330-Q364 HydrophobicContact CB-CB 4Å
331	V	97.3	Very high	91.9	Very high	22 Å²	22	38.6 Å²	38.6	13%	0.133	23%	0.232	C	C	.	.	H	α-helix	trans	-52.6	-36.3	177.4	67.4	0	0	0	0	113.5	T333 V334 A335 Q364 L366 V374 L375 E378	V331-T333 PolarHBondContact O-N 2.95Å; V331-V334 WeakPolarHBondContact O-CB 3.42Å; V331-V334 PolarHBondContact O-N 3.47Å; V331-A335 PolarHBondContact O-N 3.05Å; V331-Q364 PolarHBondContact N-O 3.28Å; V331-Q364 VanDerWaalsContact N-O 3.08Å; V331-L366 HydrophobicContact CB-CD1 4.33Å; V331-L366 HydrophobicContact CB-CG 4.26Å; V331-L366 HydrophobicContact CG2-CD1 4.27Å; V331-L366 HydrophobicContact CG2-CD2 4.26Å; V331-L366 HydrophobicContact CG2-CG 4.32Å; V331-V374 HydrophobicContact CB-CG1 4.34Å; V331-V374 HydrophobicContact CG1-CG1 4.27Å; V331-V374 HydrophobicContact CG2-CG1 4.19Å; V331-L375 HydrophobicContact CG2-CB 4.23Å; V331-L375 HydrophobicContact CG2-CD1 4.08Å; V331-E378 HydrophobicContact CG1-CB 4.44Å; V331-E378 HydrophobicContact CG1-CG 4.42Å; V331-E378 HydrophobicContact CG2-CB 3.82Å; V331-E378 HydrophobicContact CG2-CG 4.15Å
332	S	97.4	Very high	92.9	Very high	43 Å²	43	40 Å²	40	30%	0.301	23%	0.231	S	C	.	.	H	α-helix	trans	-64.2	-39.9	176.4	170.9	0	0	0	0	111.6	N330 V334 A335 D336 R382	N330-S332 PolarHBondContact O-N 3.42Å; N330-S332 VanDerWaalsContact OD1-CB 3.29Å; N330-S332 WeakPolarHBondContact OD1-CB 3.46Å; N330-S332 PolarHBondContact OD1-N 3.24Å; N330-S332 VanDerWaalsContact OD1-N 3.08Å; S332-V334 VanDerWaalsContact C-N 3.28Å; S332-V334 PolarHBondContact O-N 3.5Å; S332-A335 PolarHBondContact O-N 3.3Å; S332-D336 PolarHBondContact O-N 2.99Å; S332-D336 VanDerWaalsContact O-N 3.08Å; S332-R382 VanDerWaalsContact CA-NH2 3.26Å; S332-R382 PolarHBondContact O-NH2 3.35Å; S332-R382 PolarHBondContact OG-NH2 2.9Å
333	T	96.7	Very high	93.6	Very high	19 Å²	19	44.2 Å²	44.2	12%	0.117	27%	0.265	C	S	.	.	H	α-helix	trans	-62.1	-38.9	176.4	-49.2	0	0	0	0	111.2	I323 N326 A329 N330 V331 H337	I323-T333 HydrophobicContact CG2-CG2 3.93Å; N326-T333 HydrophobicContact CB-CG2 4.29Å; A329-T333 HydrophobicContact CB-CG2 3.92Å; N330-T333 PolarHBondContact N-OG1 2.77Å; N330-T333 WeakPolarHBondContact O-CB 3.42Å; N330-T333 PolarHBondContact O-N 2.93Å; N330-T333 PolarHBondContact OD1-N 3.49Å; N330-T333 VanDerWaalsContact OD1-N 3.09Å; N330-T333 PolarHBondContact OD1-OG1 3.44Å; V331-T333 PolarHBondContact O-N 2.95Å; T333-H337 PolarHBondContact O-CD2 2.96Å
334	V	98.1	Very high	94.2	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-65.8	-47.4	175.1	170.3	0	0	0	0	110.8	L318 N330 V331 S332 D336 H337 F338 P363 L366 L375	L318-V334 HydrophobicContact CD2-CG1 3.42Å; L318-V334 VanDerWaalsContact CD2-CG1 3.42Å; L318-V334 HydrophobicContact CD2-CG2 4.45Å; N330-V334 PolarHBondContact O-N 3.27Å; V331-V334 WeakPolarHBondContact O-CB 3.42Å; V331-V334 PolarHBondContact O-N 3.47Å; S332-V334 VanDerWaalsContact C-N 3.28Å; S332-V334 PolarHBondContact O-N 3.5Å; V334-D336 PolarHBondContact O-N 2.89Å; V334-H337 WeakPolarHBondContact O-CB 3.29Å; V334-H337 PolarHBondContact O-N 2.88Å; V334-F338 HydrophobicContact CG1-CD2 4.18Å; V334-F338 HydrophobicContact CG1-CE2 3.77Å; V334-F338 WeakPolarHBondContact O-CD2 3.27Å; V334-P363 HydrophobicContact CG2-CB 4.29Å; V334-P363 HydrophobicContact CG2-CG 3.76Å; V334-L366 HydrophobicContact CB-CD1 4.03Å; V334-L366 HydrophobicContact CG1-CD1 4.25Å; V334-L366 HydrophobicContact CG2-CD1 3.64Å; V334-L375 HydrophobicContact CG1-CD1 3.86Å; V334-L375 HydrophobicContact CG1-CD2 4.32Å
335	A	98.6	Very high	95.2	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-60.8	-27.7	-179.3	0	0	0	0	0	112.9	V331 S332 H337 F338 D339 L375 E378 L379	V331-A335 PolarHBondContact O-N 3.05Å; S332-A335 PolarHBondContact O-N 3.3Å; A335-H337 VanDerWaalsContact C-N 3.25Å; A335-H337 PolarHBondContact O-N 3.23Å; A335-F338 WeakPolarHBondContact O-CB 3.28Å; A335-F338 PolarHBondContact O-N 2.94Å; A335-F338 VanDerWaalsContact O-N 3.07Å; A335-D339 PolarHBondContact O-N 3.18Å; A335-L375 HydrophobicContact CB-CD1 4.45Å; A335-E378 HydrophobicContact CB-CG 3.64Å; A335-L379 HydrophobicContact CB-CD2 3.85Å
336	D	98.4	Very high	96	Very high	64 Å²	64	37.4 Å²	37.4	34%	0.342	23%	0.234	S	C	.	.	H	α-helix	trans	-59.7	-34.8	172.5	-60.6	-21.4	0	0	0	112.3	V292 S332 V334 H340 R382	V292-D336 HydrophobicContact CG1-CB 4.09Å; S332-D336 PolarHBondContact O-N 2.99Å; S332-D336 VanDerWaalsContact O-N 3.08Å; V334-D336 PolarHBondContact O-N 2.89Å; D336-H340 WeakPolarHBondContact O-CB 3.44Å; D336-H340 PolarHBondContact O-N 3.12Å; D336-R382 IonicContact OD1-CZ 2.7Å; D336-R382 IonicContact OD1-NH1 3.43Å; D336-R382 PolarHBondContact OD1-NH1 3.11Å; D336-R382 IonicContact OD1-NH2 2.63Å; D336-R382 PolarHBondContact OD1-NH2 3.07Å
337	H	98.7	Very high	96.9	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.009	23%	0.226	C	C	.	.	H	α-helix	trans	-68.3	-38.2	174.3	-71.7	-91.2	0	0	0	112.3	A288 A289 V316 I323 T333 V334 A335 I341	A288-H337 HydrophobicContact CB-CB 4.45Å; A288-H337 WeakPolarHBondContact CB-ND1 3.32Å; A289-H337 HydrophobicContact CB-CB 4.24Å; A289-H337 WeakPolarHBondContact CB-ND1 3.44Å; A289-H337 PolarHBondContact N-ND1 3.34Å; A289-H337 PolarHBondContact O-CE1 2.86Å; A289-H337 VanDerWaalsContact O-CE1 3.27Å; A289-H337 PolarHBondContact O-ND1 3.14Å; V316-H337 HydrophobicContact CG1-CB 4.15Å; I323-H337 VanDerWaalsContact CD1-CD2 3.48Å; I323-H337 WeakPolarHBondContact CD1-CD2 3.24Å; I323-H337 WeakPolarHBondContact CD1-NE2 3.41Å; T333-H337 PolarHBondContact O-CD2 2.96Å; V334-H337 WeakPolarHBondContact O-CB 3.29Å; V334-H337 PolarHBondContact O-N 2.88Å; A335-H337 VanDerWaalsContact C-N 3.25Å; A335-H337 PolarHBondContact O-N 3.23Å; H337-I341 WeakPolarHBondContact O-CD1 3.12Å; H337-I341 VanDerWaalsContact O-CG1 3.24Å; H337-I341 WeakPolarHBondContact O-CG1 3.42Å; H337-I341 PolarHBondContact O-N 3.38Å; H337-I341 VanDerWaalsContact O-N 3.08Å
338	F	98.9	Very high	97.6	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-63.9	-47.6	174.7	-76.7	-102.3	0	0	0	110.7	V316 V334 A335 H340 I341 K342 I350 I352 L375 L379 W384 V392	V316-F338 HydrophobicContact CB-CD2 4.18Å; V316-F338 HydrophobicContact CB-CE1 4.17Å; V316-F338 HydrophobicContact CB-CE2 3.52Å; V316-F338 HydrophobicContact CB-CZ 3.51Å; V316-F338 HydrophobicContact CG1-CD2 3.97Å; V316-F338 HydrophobicContact CG1-CE2 3.5Å; V316-F338 HydrophobicContact CG1-CZ 4.06Å; V316-F338 HydrophobicContact CG2-CD1 4.3Å; V316-F338 HydrophobicContact CG2-CD2 4.22Å; V316-F338 HydrophobicContact CG2-CE1 4.04Å; V316-F338 HydrophobicContact CG2-CE2 3.98Å; V316-F338 HydrophobicContact CG2-CG 4.37Å; V316-F338 HydrophobicContact CG2-CZ 3.89Å; V334-F338 HydrophobicContact CG1-CD2 4.18Å; V334-F338 HydrophobicContact CG1-CE2 3.77Å; V334-F338 WeakPolarHBondContact O-CD2 3.27Å; A335-F338 WeakPolarHBondContact O-CB 3.28Å; A335-F338 PolarHBondContact O-N 2.94Å; A335-F338 VanDerWaalsContact O-N 3.07Å; F338-H340 VanDerWaalsContact C-N 3.34Å; F338-H340 PolarHBondContact O-N 3.09Å; F338-I341 PolarHBondContact O-N 3.32Å; F338-K342 WeakPolarHBondContact O-CB 3.43Å; F338-K342 PolarHBondContact O-N 2.92Å; F338-I350 HydrophobicContact CD1-CG2 3.5Å; F338-I350 VanDerWaalsContact CD1-CG2 3.5Å; F338-I350 HydrophobicContact CE1-CG2 3.69Å; F338-I350 HydrophobicContact CG-CG2 4.46Å; F338-I352 HydrophobicContact CE1-CG1 4.14Å; F338-I352 HydrophobicContact CZ-CD1 4.4Å; F338-I352 HydrophobicContact CZ-CG1 4.01Å; F338-L375 HydrophobicContact CE2-CD1 4.28Å; F338-L375 HydrophobicContact CE2-CD2 3.95Å; F338-L375 HydrophobicContact CZ-CD2 3.92Å; F338-L379 HydrophobicContact CB-CD2 3.76Å; F338-L379 HydrophobicContact CD1-CD1 3.99Å; F338-L379 HydrophobicContact CE1-CD1 4.34Å; F338-L379 HydrophobicContact CG-CD1 4.28Å; F338-L379 HydrophobicContact CG-CD2 4.09Å; F338-W384 HydrophobicContact CB-CH2 4.22Å; F338-W384 HydrophobicContact CB-CZ2 3.83Å; F338-V392 HydrophobicContact CD1-CG1 4.36Å; F338-V392 HydrophobicContact CE1-CG1 3.78Å
339	D	98.9	Very high	98.1	Very high	52 Å²	52	31 Å²	31	28%	0.278	18%	0.181	S	C	.	.	H	α-helix	trans	-60	-43.9	178.3	-73.7	-23.2	0	0	0	111.7	A335 K342 A343 R382 W384	A335-D339 PolarHBondContact O-N 3.18Å; D339-K342 PolarHBondContact O-N 3.19Å; D339-A343 WeakPolarHBondContact O-CB 3.29Å; D339-A343 PolarHBondContact O-N 3.44Å; D339-R382 WeakPolarHBondContact OD2-CD 3.37Å; D339-R382 IonicContact OD2-CZ 3.61Å; D339-R382 IonicContact OD2-NE 2.92Å; D339-R382 IonicContact OD2-NH1 3.74Å; D339-R382 PolarHBondContact OD2-NH1 2.98Å; D339-W384 PolarHBondContact OD1-NE1 3.15Å
340	H	98.9	Very high	98.4	Very high	44 Å²	44	30.7 Å²	30.7	20%	0.204	18%	0.179	C	C	.	.	H	α-helix	trans	-61.2	-50.4	177.2	-175.2	88.9	0	0	0	111.8	A289 V292 D301 D336 F338 K342 A343 V344	A289-H340 HydrophobicContact CB-CB 4.21Å; V292-H340 HydrophobicContact CG2-CB 3.42Å; V292-H340 VanDerWaalsContact CG2-CB 3.42Å; D301-H340 IonicContact OD1-CD2 3.92Å; D301-H340 IonicContact OD1-CE1 3.02Å; D301-H340 IonicContact OD1-NE2 3.92Å; D301-H340 PolarHBondContact OD1-NE2 3.08Å; D301-H340 IonicContact OD2-CE1 3.34Å; D301-H340 IonicContact OD2-NE2 2.78Å; D301-H340 PolarHBondContact OD2-NE2 3.11Å; D336-H340 WeakPolarHBondContact O-CB 3.44Å; D336-H340 PolarHBondContact O-N 3.12Å; F338-H340 VanDerWaalsContact C-N 3.34Å; F338-H340 PolarHBondContact O-N 3.09Å; H340-K342 VanDerWaalsContact C-N 3.28Å; H340-K342 PolarHBondContact O-N 3.25Å; H340-A343 PolarHBondContact O-N 3.32Å; H340-A343 VanDerWaalsContact O-N 3.16Å; H340-V344 WeakPolarHBondContact O-CG2 3.33Å; H340-V344 PolarHBondContact O-N 2.8Å
341	I	98.9	Very high	98.5	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-63.7	-38.4	-179.9	-60	162.1	0	0	0	110.2	A289 L304 V314 V316 H337 F338 A343 V344 I345 G346 I350	A289-I341 HydrophobicContact CB-CD1 4.2Å; A289-I341 HydrophobicContact CB-CG1 3.84Å; L304-I341 HydrophobicContact CD1-CG1 4.21Å; L304-I341 HydrophobicContact CD1-CG2 4.49Å; L304-I341 HydrophobicContact CD2-CG2 4.25Å; V314-I341 HydrophobicContact CB-CD1 4.36Å; V314-I341 HydrophobicContact CG1-CD1 4.05Å; V316-I341 HydrophobicContact CG2-CD1 3.74Å; H337-I341 WeakPolarHBondContact O-CD1 3.12Å; H337-I341 VanDerWaalsContact O-CG1 3.24Å; H337-I341 WeakPolarHBondContact O-CG1 3.42Å; H337-I341 PolarHBondContact O-N 3.38Å; H337-I341 VanDerWaalsContact O-N 3.08Å; F338-I341 PolarHBondContact O-N 3.32Å; I341-A343 VanDerWaalsContact C-N 3.35Å; I341-A343 PolarHBondContact O-N 3.26Å; I341-V344 PolarHBondContact O-N 2.84Å; I341-I345 HydrophobicContact CG2-CD1 3.8Å; I341-I345 HydrophobicContact CG2-CG1 3.7Å; I341-I345 VanDerWaalsContact O-CG1 3.26Å; I341-I345 WeakPolarHBondContact O-CG1 3.3Å; I341-I345 PolarHBondContact O-N 2.66Å; I341-G346 PolarHBondContact O-N 3.22Å; I341-I350 HydrophobicContact CB-CD1 3.8Å; I341-I350 HydrophobicContact CB-CG1 4.08Å; I341-I350 HydrophobicContact CG2-CD1 3.74Å; I341-I350 HydrophobicContact CG2-CG1 3.54Å
342	K	98.9	Very high	98.6	Very high	55 Å²	55	27 Å²	27	24%	0.239	16%	0.159	C	C	.	.	H	α-helix	trans	-61.5	-43.3	175.3	173.7	174.5	165	172.4	0	111	F338 D339 H340 G346 I350 W384 E388	F338-K342 WeakPolarHBondContact O-CB 3.43Å; F338-K342 PolarHBondContact O-N 2.92Å; D339-K342 PolarHBondContact O-N 3.19Å; H340-K342 VanDerWaalsContact C-N 3.28Å; H340-K342 PolarHBondContact O-N 3.25Å; K342-G346 WeakPolarHBondContact O-CA 3.37Å; K342-G346 PolarHBondContact O-N 3.02Å; K342-I350 HydrophobicContact CB-CD1 3.91Å; K342-W384 HydrophobicContact CB-CH2 3.68Å; K342-W384 HydrophobicContact CB-CZ2 3.69Å; K342-W384 HydrophobicContact CD-CD2 3.96Å; K342-W384 HydrophobicContact CD-CE3 4.07Å; K342-W384 HydrophobicContact CD-CH2 3.55Å; K342-W384 HydrophobicContact CD-CZ2 3.36Å; K342-W384 HydrophobicContact CD-CZ3 3.89Å; K342-W384 HydrophobicContact CG-CH2 4.13Å; K342-W384 HydrophobicContact CG-CZ2 4.14Å; K342-E388 WeakPolarHBondContact CE-OE1 3.44Å; K342-E388 IonicContact NZ-OE1 3.87Å; K342-E388 PolarHBondContact NZ-OE1 3.1Å; K342-E388 IonicContact NZ-OE2 3.38Å; K342-E388 PolarHBondContact NZ-OE2 3.06Å
343	A	98.9	Very high	98.7	Very high	88 Å²	88	25 Å²	25	73%	0.727	15%	0.145	S	C	*	.	H	α-helix	trans	-64.4	-40	177.6	0	0	0	0	0	112.6	D339 H340 I341	D339-A343 WeakPolarHBondContact O-CB 3.29Å; D339-A343 PolarHBondContact O-N 3.44Å; H340-A343 PolarHBondContact O-N 3.32Å; H340-A343 VanDerWaalsContact O-N 3.16Å; I341-A343 VanDerWaalsContact C-N 3.35Å; I341-A343 PolarHBondContact O-N 3.26Å
344	V	98.9	Very high	98.7	Very high	29 Å²	29	24 Å²	24	18%	0.176	14%	0.139	C	C	.	.	H	α-helix	trans	-76.7	-45.8	-176.8	-178.6	0	0	0	0	112	D301 L304 Q305 H340 I341	D301-V344 HydrophobicContact CB-CG1 4.16Å; L304-V344 HydrophobicContact CB-CG1 4.12Å; L304-V344 HydrophobicContact CD1-CB 4.26Å; L304-V344 HydrophobicContact CD1-CG1 4.19Å; Q305-V344 VanDerWaalsContact NE2-CG1 3.34Å; Q305-V344 PolarHBondContact NE2-O 3.11Å; H340-V344 WeakPolarHBondContact O-CG2 3.33Å; H340-V344 PolarHBondContact O-N 2.8Å; I341-V344 PolarHBondContact O-N 2.84Å
345	I	98.8	Very high	98.7	Very high	4 Å²	4	24.7 Å²	24.7	2%	0.021	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126	-21.2	-172	56.8	172.8	0	0	0	116	L304 L307 K308 I341 F349	L304-I345 HydrophobicContact CB-CD1 4.12Å; L304-I345 HydrophobicContact CB-CG2 3.86Å; L304-I345 HydrophobicContact CD2-CD1 4.02Å; L304-I345 WeakPolarHBondContact O-CG2 3.37Å; L307-I345 HydrophobicContact CD2-CD1 4.45Å; K308-I345 HydrophobicContact CB-CB 4.04Å; K308-I345 HydrophobicContact CB-CG2 3.77Å; K308-I345 HydrophobicContact CD-CB 3.92Å; K308-I345 HydrophobicContact CD-CG2 3.91Å; K308-I345 PolarHBondContact NZ-O 3.25Å; I341-I345 HydrophobicContact CG2-CD1 3.8Å; I341-I345 HydrophobicContact CG2-CG1 3.7Å; I341-I345 VanDerWaalsContact O-CG1 3.26Å; I341-I345 WeakPolarHBondContact O-CG1 3.3Å; I341-I345 PolarHBondContact O-N 2.66Å; I345-F349 HydrophobicContact CB-CD2 3.84Å; I345-F349 HydrophobicContact CB-CE2 4.35Å; I345-F349 HydrophobicContact CD1-CB 3.44Å; I345-F349 VanDerWaalsContact CD1-CB 3.44Å; I345-F349 HydrophobicContact CD1-CD2 4.07Å; I345-F349 HydrophobicContact CD1-CG 3.95Å; I345-F349 HydrophobicContact CG1-CB 4.01Å; I345-F349 HydrophobicContact CG1-CD2 3.98Å; I345-F349 HydrophobicContact CG1-CG 4.34Å; I345-F349 VanDerWaalsContact O-CD2 3.23Å; I345-F349 WeakPolarHBondContact O-CD2 3.31Å; I345-F349 WeakPolarHBondContact O-CE2 3.48Å
346	G	98.8	Very high	98.7	Very high	22 Å²	22	24.7 Å²	24.7	23%	0.227	14%	0.143	C	C	.	.			trans	105	154.2	-179.1	0	0	0	0	0	113.2	I341 K342 K348 F349	I341-G346 PolarHBondContact O-N 3.22Å; K342-G346 WeakPolarHBondContact O-CA 3.37Å; K342-G346 PolarHBondContact O-N 3.02Å; G346-K348 VanDerWaalsContact C-N 3.26Å; G346-K348 PolarHBondContact O-N 3.16Å; G346-F349 PolarHBondContact O-N 2.75Å
347	S	98.9	Very high	98.6	Very high	22 Å²	22	22.1 Å²	22.1	15%	0.154	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-60	-27.7	-174	48	0	0	0	0	114.7	F349 I350 E388 N396	S347-F349 PolarHBondContact O-N 3.4Å; S347-I350 PolarHBondContact O-N 3.34Å; S347-E388 WeakPolarHBondContact CB-OE1 3.38Å; S347-E388 WeakPolarHBondContact OG-CG 3.25Å; S347-E388 PolarHBondContact OG-OE1 2.74Å; S347-E388 VanDerWaalsContact OG-OE1 3.1Å; S347-N396 PolarHBondContact O-ND2 3.34Å
348	K	98.8	Very high	98.3	Very high	116 Å²	116	23.9 Å²	23.9	50%	0.504	15%	0.147	S	C	.	.	G	3₁₀ helix	trans	-61.8	-15.2	178	66	169.5	165.6	164.9	0	114.5	G346 N396 R399	G346-K348 VanDerWaalsContact C-N 3.26Å; G346-K348 PolarHBondContact O-N 3.16Å; K348-N396 WeakPolarHBondContact CA-OD1 3.36Å; K348-N396 PolarHBondContact O-ND2 3.03Å; K348-N396 PolarHBondContact O-OD1 3.43Å; K348-R399 PolarHBondContact O-NH1 3.35Å; K348-R399 PolarHBondContact O-NH2 2.75Å
349	F	98.9	Very high	97.7	Very high	5 Å²	5	24.8 Å²	24.8	2%	0.022	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-103.2	17.4	-177.3	-56.5	-70.9	0	0	0	112.9	K308 G312 I313 V314 I345 G346 S347	K308-F349 HydrophobicContact CB-CD2 4.46Å; K308-F349 HydrophobicContact CB-CE1 4.46Å; K308-F349 HydrophobicContact CB-CE2 3.96Å; K308-F349 HydrophobicContact CB-CZ 3.95Å; K308-F349 HydrophobicContact CD-CE2 3.95Å; K308-F349 HydrophobicContact CD-CZ 4.42Å; K308-F349 HydrophobicContact CG-CE2 3.62Å; K308-F349 HydrophobicContact CG-CZ 3.61Å; G312-F349 WeakPolarHBondContact O-CD1 3.36Å; I313-F349 CarbonylContact C-O 3.52Å; I313-F349 WeakPolarHBondContact CA-O 3.37Å; V314-F349 PolarHBondContact N-O 3.12Å; I345-F349 HydrophobicContact CB-CD2 3.84Å; I345-F349 HydrophobicContact CB-CE2 4.35Å; I345-F349 HydrophobicContact CD1-CB 3.44Å; I345-F349 VanDerWaalsContact CD1-CB 3.44Å; I345-F349 HydrophobicContact CD1-CD2 4.07Å; I345-F349 HydrophobicContact CD1-CG 3.95Å; I345-F349 HydrophobicContact CG1-CB 4.01Å; I345-F349 HydrophobicContact CG1-CD2 3.98Å; I345-F349 HydrophobicContact CG1-CG 4.34Å; I345-F349 VanDerWaalsContact O-CD2 3.23Å; I345-F349 WeakPolarHBondContact O-CD2 3.31Å; I345-F349 WeakPolarHBondContact O-CE2 3.48Å; G346-F349 PolarHBondContact O-N 2.75Å; S347-F349 PolarHBondContact O-N 3.4Å
350	I	98.9	Very high	97	Very high	0 Å²	0	26 Å²	26	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	138.5	-171.6	-54.7	173.4	0	0	0	109.8	V314 V316 F338 I341 K342 S347 W384 V392 N396	V314-I350 CarbonylContact O-C 3.53Å; V314-I350 WeakPolarHBondContact O-CA 3.49Å; V316-I350 HydrophobicContact CG2-CG2 3.99Å; F338-I350 HydrophobicContact CD1-CG2 3.5Å; F338-I350 VanDerWaalsContact CD1-CG2 3.5Å; F338-I350 HydrophobicContact CE1-CG2 3.69Å; F338-I350 HydrophobicContact CG-CG2 4.46Å; I341-I350 HydrophobicContact CB-CD1 3.8Å; I341-I350 HydrophobicContact CB-CG1 4.08Å; I341-I350 HydrophobicContact CG2-CD1 3.74Å; I341-I350 HydrophobicContact CG2-CG1 3.54Å; K342-I350 HydrophobicContact CB-CD1 3.91Å; S347-I350 PolarHBondContact O-N 3.34Å; I350-W384 HydrophobicContact CD1-CH2 3.78Å; I350-V392 HydrophobicContact CB-CG2 4.21Å; I350-V392 HydrophobicContact CG2-CG2 4.24Å; I350-N396 PolarHBondContact O-ND2 3.14Å
351	G	98.9	Very high	96.6	Very high	2 Å²	2	31.6 Å²	31.6	2%	0.021	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	-166.8	169.4	0	0	0	0	0	110.4	V314 M315 V316	V314-G351 PolarHBondContact O-N 3.41Å; M315-G351 WeakPolarHBondContact CA-O 3.22Å; V316-G351 PolarHBondContact N-O 2.74Å
352	I	98.9	Very high	96.4	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	131.5	179.5	-49.4	-168.2	0	0	0	109.6	L89 D91 G92 M315 L318 F338 Y372 L375 I376 V392	L89-I352 HydrophobicContact CD1-CB 4Å; L89-I352 HydrophobicContact CD1-CD1 3.67Å; L89-I352 HydrophobicContact CD1-CG1 3.96Å; D91-I352 WeakPolarHBondContact CA-O 3.47Å; G92-I352 PolarHBondContact N-O 2.63Å; M315-I352 WeakPolarHBondContact CE-O 3.31Å; L318-I352 HydrophobicContact CD1-CG2 4.42Å; F338-I352 HydrophobicContact CE1-CG1 4.14Å; F338-I352 HydrophobicContact CZ-CD1 4.4Å; F338-I352 HydrophobicContact CZ-CG1 4.01Å; I352-Y372 HydrophobicContact CG2-CD1 4.17Å; I352-Y372 HydrophobicContact CG2-CE1 3.85Å; I352-L375 HydrophobicContact CD1-CD2 4.01Å; I352-I376 HydrophobicContact CD1-CD1 4.19Å; I352-V392 HydrophobicContact CD1-CG1 4.09Å; I352-V392 HydrophobicContact CG1-CG1 3.82Å
353	G	98.7	Very high	96.3	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	20%	0.198	C	C	.	.			trans	-136.9	76.5	-179.6	0	0	0	0	0	110.1	S285 H286 V316 S317 D355	S285-G353 VanDerWaalsContact O-CA 3.25Å; S285-G353 WeakPolarHBondContact O-CA 3.21Å; H286-G353 VanDerWaalsContact CB-O 3.31Å; H286-G353 WeakPolarHBondContact CB-O 3.49Å; V316-G353 PolarHBondContact O-N 3.01Å; S317-G353 WeakPolarHBondContact CA-O 3.45Å; G353-D355 PolarHBondContact O-N 3.06Å
354	G	97	Very high	96.2	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.194	C	C	.	.			trans	-46.9	-41.5	-162.2	0	0	0	0	0	114.8	D91 L318 Y356	D91-G354 PolarHBondContact OD1-N 2.92Å; D91-G354 WeakPolarHBondContact OD2-CA 3.13Å; D91-G354 PolarHBondContact OD2-N 3.33Å; L318-G354 PolarHBondContact N-O 3.2Å; G354-Y356 PolarHBondContact O-N 3.33Å
355	D	97.8	Very high	96	Very high	13 Å²	13	32.3 Å²	32.3	7%	0.07	20%	0.195	C	C	.	.			trans	64.6	22.1	-171.5	-168.2	36.6	0	0	0	111.9	H93 H286 S317 S319 G353 G358 F362	H93-D355 IonicContact CD2-OD1 3.7Å; H93-D355 WeakPolarHBondContact O-CA 3.24Å; H93-D355 PolarHBondContact O-N 3.35Å; H286-D355 HydrophobicContact CB-CB 4.18Å; H286-D355 IonicContact CD2-OD1 2.71Å; S317-D355 WeakPolarHBondContact OG-CB 3.43Å; S319-D355 WeakPolarHBondContact CB-OD2 3.21Å; S319-D355 PolarHBondContact OG-OD2 2.99Å; G353-D355 PolarHBondContact O-N 3.06Å; D355-G358 PolarHBondContact O-N 3.43Å; D355-G358 VanDerWaalsContact O-N 3.12Å; D355-F362 WeakPolarHBondContact O-CZ 3.26Å
356	Y	98.5	Very high	96	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-59.9	145.2	173.6	-75.6	-68.7	0	0	0	110.7	D95 Q120 L318 G354 G358 F362 L366 D368 V369 T371 Y372	D95-Y356 PolarHBondContact N-O 3.3Å; Q120-Y356 HydrophobicContact CB-CD1 3.65Å; Q120-Y356 HydrophobicContact CB-CE1 4.48Å; Q120-Y356 HydrophobicContact CB-CG 4.33Å; Q120-Y356 HydrophobicContact CG-CD1 4.07Å; L318-Y356 HydrophobicContact CD1-CE2 3.89Å; G354-Y356 PolarHBondContact O-N 3.33Å; Y356-G358 PolarHBondContact O-N 3.41Å; Y356-G358 VanDerWaalsContact O-N 3.08Å; Y356-F362 AromaticContact CD1-CD1 3.88Å; Y356-F362 HydrophobicContact CD1-CD1 3.88Å; Y356-F362 HydrophobicContact CD1-CD2 4.12Å; Y356-F362 AromaticContact CD1-CE1 3.53Å; Y356-F362 HydrophobicContact CD1-CE1 3.53Å; Y356-F362 AromaticContact CD1-CE2 3.82Å; Y356-F362 HydrophobicContact CD1-CE2 3.82Å; Y356-F362 HydrophobicContact CD1-CG 4.18Å; Y356-F362 AromaticContact CD1-CZ 3.54Å; Y356-F362 HydrophobicContact CD1-CZ 3.54Å; Y356-F362 AromaticContact CE1-CD1 3.46Å; Y356-F362 HydrophobicContact CE1-CD1 3.46Å; Y356-F362 VanDerWaalsContact CE1-CD1 3.46Å; Y356-F362 HydrophobicContact CE1-CD2 4.17Å; Y356-F362 AromaticContact CE1-CE1 3.57Å; Y356-F362 HydrophobicContact CE1-CE1 3.57Å; Y356-F362 HydrophobicContact CE1-CE2 4.29Å; Y356-F362 AromaticContact CE1-CG 3.8Å; Y356-F362 HydrophobicContact CE1-CG 3.8Å; Y356-F362 HydrophobicContact CE1-CZ 4.03Å; Y356-F362 HydrophobicContact CG-CE1 4.08Å; Y356-F362 HydrophobicContact CG-CZ 4.07Å; Y356-L366 WeakPolarHBondContact CE1-O 3.36Å; Y356-L366 PolarHBondContact OH-O 2.88Å; Y356-D368 VanDerWaalsContact CE1-CA 3.41Å; Y356-D368 PolarHBondContact OH-O 3.18Å; Y356-V369 HydrophobicContact CD1-CG1 4.46Å; Y356-V369 HydrophobicContact CD2-CG1 3.61Å; Y356-V369 HydrophobicContact CE2-CG1 4.24Å; Y356-V369 HydrophobicContact CG-CG1 3.73Å; Y356-T371 PolarHBondContact OH-OG1 3.47Å; Y356-Y372 AromaticContact CD2-CZ 3.93Å; Y356-Y372 VanDerWaalsContact CD2-OH 3.26Å; Y356-Y372 WeakPolarHBondContact CD2-OH 3.25Å; Y356-Y372 AromaticContact CE2-CE1 3.87Å; Y356-Y372 HydrophobicContact CE2-CE1 3.87Å; Y356-Y372 HydrophobicContact CE2-CE2 4.24Å; Y356-Y372 AromaticContact CE2-CZ 3.58Å; Y356-Y372 WeakPolarHBondContact CE2-OH 3.42Å
357	D	97	Very high	95.9	Very high	11 Å²	11	35.8 Å²	35.8	6%	0.059	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.1	-6.3	-170.3	-67.5	-53.9	0	0	0	115.3	D95 V99 G119 Q120 T121	D95-D357 VanDerWaalsContact CB-C 3.48Å; D95-D357 HydrophobicContact CB-CB 4.14Å; V99-D357 HydrophobicContact CG2-CB 3.7Å; G119-D357 WeakPolarHBondContact CA-OD1 3.35Å; Q120-D357 PolarHBondContact N-OD1 2.79Å; Q120-D357 PolarHBondContact OE1-OD1 3.36Å; T121-D357 WeakPolarHBondContact CB-OD2 3.39Å; T121-D357 PolarHBondContact N-OD2 3Å; T121-D357 VanDerWaalsContact N-OD2 3.11Å; T121-D357 PolarHBondContact OG1-OD2 3Å
358	G	92	Very high	95.9	Very high	38 Å²	38	36.1 Å²	36.1	39%	0.392	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-21.3	176	0	0	0	0	0	113.1	D95 D355 Y356	D95-G358 VanDerWaalsContact OD2-CA 3.22Å; D95-G358 WeakPolarHBondContact OD2-CA 3.4Å; D355-G358 PolarHBondContact O-N 3.43Å; D355-G358 VanDerWaalsContact O-N 3.12Å; Y356-G358 PolarHBondContact O-N 3.41Å; Y356-G358 VanDerWaalsContact O-N 3.08Å
359	A	87.2	Confident	95.9	Very high	19 Å²	19	30.6 Å²	30.6	16%	0.157	18%	0.182	C	C	.	.	S	Bend	trans	-129	148.9	177.7	0	0	0	0	0	113.8	Q120 S319 K361 F362	Q120-A359 PolarHBondContact NE2-O 3.3Å; S319-A359 WeakPolarHBondContact OG-CB 3.02Å; A359-K361 VanDerWaalsContact C-N 3.32Å; A359-K361 PolarHBondContact O-N 3.38Å; A359-F362 HydrophobicContact CB-CE2 4.29Å; A359-F362 HydrophobicContact CB-CZ 4.4Å; A359-F362 WeakPolarHBondContact O-CE2 3.28Å
360	G	82.9	Confident	95.9	Very high	77 Å²	77	32 Å²	32	79%	0.794	19%	0.192	S	C	*	.	S	Bend	trans	-78	-9.6	-179.2	0	0	0	0	0	115.3
361	K	90.3	Very high	95.9	Very high	162 Å²	162	32.7 Å²	32.7	70%	0.704	20%	0.196	S	C	*	.			trans	-145	146.5	-177.7	-68.8	-173	179.9	-178.1	0	111.4	M320 A359	M320-K361 HydrophobicContact CB-CB 3.98Å; M320-K361 VanDerWaalsContact CB-O 3.24Å; M320-K361 WeakPolarHBondContact CB-O 3.4Å; M320-K361 HydrophobicContact CG-CB 3.98Å; M320-K361 WeakPolarHBondContact CG-O 3.42Å; M320-K361 PolarHBondContact N-O 3.5Å; M320-K361 VanDerWaalsContact N-O 3.12Å; A359-K361 VanDerWaalsContact C-N 3.32Å; A359-K361 PolarHBondContact O-N 3.38Å
362	F	95.4	Very high	95.9	Very high	28 Å²	28	32.6 Å²	32.6	12%	0.123	20%	0.195	C	C	.	.			trans	-130	156.1	176.3	-78	-94.6	0	0	0	110.7	Q120 L318 D355 Y356 A359 L366	Q120-F362 HydrophobicContact CG-CD2 4.28Å; Q120-F362 HydrophobicContact CG-CE2 4.27Å; L318-F362 HydrophobicContact CB-CD1 4.13Å; L318-F362 HydrophobicContact CB-CE1 4.15Å; L318-F362 WeakPolarHBondContact O-CD1 3.37Å; D355-F362 WeakPolarHBondContact O-CZ 3.26Å; Y356-F362 AromaticContact CD1-CD1 3.88Å; Y356-F362 HydrophobicContact CD1-CD1 3.88Å; Y356-F362 HydrophobicContact CD1-CD2 4.12Å; Y356-F362 AromaticContact CD1-CE1 3.53Å; Y356-F362 HydrophobicContact CD1-CE1 3.53Å; Y356-F362 AromaticContact CD1-CE2 3.82Å; Y356-F362 HydrophobicContact CD1-CE2 3.82Å; Y356-F362 HydrophobicContact CD1-CG 4.18Å; Y356-F362 AromaticContact CD1-CZ 3.54Å; Y356-F362 HydrophobicContact CD1-CZ 3.54Å; Y356-F362 AromaticContact CE1-CD1 3.46Å; Y356-F362 HydrophobicContact CE1-CD1 3.46Å; Y356-F362 VanDerWaalsContact CE1-CD1 3.46Å; Y356-F362 HydrophobicContact CE1-CD2 4.17Å; Y356-F362 AromaticContact CE1-CE1 3.57Å; Y356-F362 HydrophobicContact CE1-CE1 3.57Å; Y356-F362 HydrophobicContact CE1-CE2 4.29Å; Y356-F362 AromaticContact CE1-CG 3.8Å; Y356-F362 HydrophobicContact CE1-CG 3.8Å; Y356-F362 HydrophobicContact CE1-CZ 4.03Å; Y356-F362 HydrophobicContact CG-CE1 4.08Å; Y356-F362 HydrophobicContact CG-CZ 4.07Å; A359-F362 HydrophobicContact CB-CE2 4.29Å; A359-F362 HydrophobicContact CB-CZ 4.4Å; A359-F362 WeakPolarHBondContact O-CE2 3.28Å; F362-L366 VanDerWaalsContact CB-O 3.28Å; F362-L366 WeakPolarHBondContact CB-O 3.22Å
363	P	96.1	Very high	95.9	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.006	20%	0.197	C	C	.	.			trans	-54.9	150.9	172.5	-26	34.5	0	0	0	112.5	L318 M320 A329 V334 G365 L366	L318-P363 WeakPolarHBondContact O-CD 3.03Å; L318-P363 WeakPolarHBondContact O-CG 3.35Å; M320-P363 HydrophobicContact SD-CG 3.88Å; A329-P363 HydrophobicContact CB-CB 4.12Å; A329-P363 HydrophobicContact CB-CG 4.18Å; A329-P363 CarbonylContact O-C 3.55Å; A329-P363 VanDerWaalsContact O-CA 3.24Å; A329-P363 WeakPolarHBondContact O-CA 3.5Å; A329-P363 WeakPolarHBondContact O-CB 3.47Å; V334-P363 HydrophobicContact CG2-CB 4.29Å; V334-P363 HydrophobicContact CG2-CG 3.76Å; P363-G365 PolarHBondContact O-N 3.32Å; P363-L366 HydrophobicContact CB-CB 4.49Å; P363-L366 HydrophobicContact CB-CD1 4.39Å; P363-L366 PolarHBondContact O-N 3.42Å
364	Q	96.6	Very high	95.9	Very high	140 Å²	140	34.9 Å²	34.9	65%	0.654	21%	0.209	S	C	*	.	B	Isolated β-bridge	trans	-59.3	132.2	173.8	-176.3	-177.1	2.9	0	0	111.1	A329 N330 V331 L366	A329-Q364 PolarHBondContact O-N 3.25Å; N330-Q364 CarbonylContact C-O 3.57Å; N330-Q364 VanDerWaalsContact CA-O 3.3Å; N330-Q364 WeakPolarHBondContact CA-O 3.3Å; N330-Q364 HydrophobicContact CB-CB 4Å; V331-Q364 PolarHBondContact N-O 3.28Å; V331-Q364 VanDerWaalsContact N-O 3.08Å; Q364-L366 VanDerWaalsContact C-N 3.3Å
365	G	96.4	Very high	95.9	Very high	19 Å²	19	34.9 Å²	34.9	20%	0.196	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.4	-0.5	-174.8	0	0	0	0	0	114.1	P363 E367 T371	P363-G365 PolarHBondContact O-N 3.32Å; G365-E367 WeakPolarHBondContact CA-OE2 3.31Å; G365-E367 PolarHBondContact N-OE1 2.78Å; G365-E367 PolarHBondContact N-OE2 3.08Å; G365-T371 WeakPolarHBondContact O-CB 3.34Å
366	L	97.8	Very high	96	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	21%	0.206	C	C	.	.			trans	-127	33	178.4	-63.6	176.1	0	0	0	112.5	L318 V331 V334 Y356 F362 P363 Q364 D368 T371 L375	L318-L366 HydrophobicContact CD2-CD1 4.3Å; V331-L366 HydrophobicContact CB-CD1 4.33Å; V331-L366 HydrophobicContact CB-CG 4.26Å; V331-L366 HydrophobicContact CG2-CD1 4.27Å; V331-L366 HydrophobicContact CG2-CD2 4.26Å; V331-L366 HydrophobicContact CG2-CG 4.32Å; V334-L366 HydrophobicContact CB-CD1 4.03Å; V334-L366 HydrophobicContact CG1-CD1 4.25Å; V334-L366 HydrophobicContact CG2-CD1 3.64Å; Y356-L366 WeakPolarHBondContact CE1-O 3.36Å; Y356-L366 PolarHBondContact OH-O 2.88Å; F362-L366 VanDerWaalsContact CB-O 3.28Å; F362-L366 WeakPolarHBondContact CB-O 3.22Å; P363-L366 HydrophobicContact CB-CB 4.49Å; P363-L366 HydrophobicContact CB-CD1 4.39Å; P363-L366 PolarHBondContact O-N 3.42Å; Q364-L366 VanDerWaalsContact C-N 3.3Å; L366-D368 VanDerWaalsContact C-N 3.27Å; L366-D368 PolarHBondContact O-N 3Å; L366-T371 WeakPolarHBondContact CA-OG1 3.38Å; L366-L375 HydrophobicContact CD2-CB 4.07Å
367	E	97.3	Very high	96	Very high	99 Å²	99	35.9 Å²	35.9	46%	0.463	21%	0.213	S	C	.	.	S	Bend	trans	-62.9	-30.7	-167.3	-66.4	77.3	-170.4	0	0	114	Q120 G365	Q120-E367 WeakPolarHBondContact CG-O 3.1Å; G365-E367 WeakPolarHBondContact CA-OE2 3.31Å; G365-E367 PolarHBondContact N-OE1 2.78Å; G365-E367 PolarHBondContact N-OE2 3.08Å
368	D	98.4	Very high	96.1	Very high	29 Å²	29	37.3 Å²	37.3	16%	0.155	22%	0.22	C	C	.	.	S	Bend	trans	-155.9	175.9	-177.4	74.2	29.1	0	0	0	113.3	Q120 R125 Y356 L366 S370 T371	Q120-D368 HydrophobicContact CB-CB 4.07Å; Q120-D368 WeakPolarHBondContact O-CB 3.33Å; R125-D368 WeakPolarHBondContact CD-OD2 3.4Å; R125-D368 IonicContact CZ-OD2 3.06Å; R125-D368 IonicContact NE-OD2 3.8Å; R125-D368 IonicContact NH1-OD2 3.53Å; R125-D368 PolarHBondContact NH1-OD2 3.24Å; Y356-D368 VanDerWaalsContact CE1-CA 3.41Å; Y356-D368 PolarHBondContact OH-O 3.18Å; L366-D368 VanDerWaalsContact C-N 3.27Å; L366-D368 PolarHBondContact O-N 3Å; D368-S370 PolarHBondContact O-N 2.9Å; D368-S370 VanDerWaalsContact OD1-CB 3.24Å; D368-S370 WeakPolarHBondContact OD1-CB 3.43Å; D368-S370 PolarHBondContact OD1-N 3.49Å; D368-S370 PolarHBondContact OD1-OG 2.9Å; D368-T371 WeakPolarHBondContact O-CB 3.15Å; D368-T371 WeakPolarHBondContact O-CG2 3.46Å; D368-T371 PolarHBondContact O-N 3.34Å; D368-T371 PolarHBondContact O-OG1 3.46Å
369	V	98.7	Very high	96.4	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-8.6	-175.2	-59.2	0	0	0	0	114.9	Q120 T121 R125 L126 Y356 T371 Y372	Q120-V369 PolarHBondContact O-N 3.03Å; T121-V369 HydrophobicContact CG2-CG1 4.17Å; T121-V369 HydrophobicContact CG2-CG2 4.23Å; T121-V369 WeakPolarHBondContact OG1-CG1 3.5Å; R125-V369 HydrophobicContact CB-CG2 3.53Å; L126-V369 HydrophobicContact CD2-CB 3.83Å; L126-V369 HydrophobicContact CD2-CG1 4.12Å; L126-V369 HydrophobicContact CD2-CG2 3.85Å; L126-V369 HydrophobicContact CG-CB 4.44Å; L126-V369 HydrophobicContact CG-CG2 3.89Å; Y356-V369 HydrophobicContact CD1-CG1 4.46Å; Y356-V369 HydrophobicContact CD2-CG1 3.61Å; Y356-V369 HydrophobicContact CE2-CG1 4.24Å; Y356-V369 HydrophobicContact CG-CG1 3.73Å; V369-T371 VanDerWaalsContact C-N 3.26Å; V369-Y372 HydrophobicContact CB-CE2 4.01Å; V369-Y372 HydrophobicContact CG1-CE2 4.46Å; V369-Y372 WeakPolarHBondContact O-CD2 3.5Å; V369-Y372 WeakPolarHBondContact O-CE2 3.32Å
370	S	98.8	Very high	97	Very high	35 Å²	35	35.3 Å²	35.3	25%	0.245	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-8.8	174.1	74	0	0	0	0	113.7	R125 G129 D368 P373	R125-S370 WeakPolarHBondContact O-CA 3.27Å; G129-S370 WeakPolarHBondContact CA-O 3.46Å; D368-S370 PolarHBondContact O-N 2.9Å; D368-S370 VanDerWaalsContact OD1-CB 3.24Å; D368-S370 WeakPolarHBondContact OD1-CB 3.43Å; D368-S370 PolarHBondContact OD1-N 3.49Å; D368-S370 PolarHBondContact OD1-OG 2.9Å; S370-P373 WeakPolarHBondContact O-CD 3.34Å
371	T	98.7	Very high	97.7	Very high	14 Å²	14	34.8 Å²	34.8	9%	0.086	18%	0.181	C	C	.	.			trans	-97.9	-2.6	-167.2	63.6	0	0	0	0	115	Y356 G365 L366 D368 V369 P373 V374	Y356-T371 PolarHBondContact OH-OG1 3.47Å; G365-T371 WeakPolarHBondContact O-CB 3.34Å; L366-T371 WeakPolarHBondContact CA-OG1 3.38Å; D368-T371 WeakPolarHBondContact O-CB 3.15Å; D368-T371 WeakPolarHBondContact O-CG2 3.46Å; D368-T371 PolarHBondContact O-N 3.34Å; D368-T371 PolarHBondContact O-OG1 3.46Å; V369-T371 VanDerWaalsContact C-N 3.26Å; T371-P373 VanDerWaalsContact C-N 3.28Å; T371-P373 VanDerWaalsContact O-N 3.14Å; T371-V374 VanDerWaalsContact O-CB 3.23Å; T371-V374 WeakPolarHBondContact O-CB 3.41Å; T371-V374 WeakPolarHBondContact O-CG2 3.48Å; T371-V374 PolarHBondContact O-N 3.24Å
372	Y	98.8	Very high	98.1	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-49.9	-38.3	175.7	-63.9	-71.2	0	0	0	114.8	L89 D91 V131 L318 I352 Y356 V369 V374 L375 I376	L89-Y372 HydrophobicContact CD2-CD1 3.36Å; L89-Y372 HydrophobicContact CD2-CD2 3.63Å; L89-Y372 HydrophobicContact CD2-CE1 3.62Å; L89-Y372 HydrophobicContact CD2-CE2 3.87Å; L89-Y372 HydrophobicContact CD2-CG 3.36Å; D91-Y372 PolarHBondContact OD2-OH 3.48Å; V131-Y372 HydrophobicContact CG2-CD2 3.59Å; V131-Y372 HydrophobicContact CG2-CE2 3.5Å; V131-Y372 VanDerWaalsContact CG2-CE2 3.5Å; L318-Y372 HydrophobicContact CD1-CD1 4.14Å; L318-Y372 HydrophobicContact CD1-CE1 3.79Å; I352-Y372 HydrophobicContact CG2-CD1 4.17Å; I352-Y372 HydrophobicContact CG2-CE1 3.85Å; Y356-Y372 AromaticContact CD2-CZ 3.93Å; Y356-Y372 VanDerWaalsContact CD2-OH 3.26Å; Y356-Y372 WeakPolarHBondContact CD2-OH 3.25Å; Y356-Y372 AromaticContact CE2-CE1 3.87Å; Y356-Y372 HydrophobicContact CE2-CE1 3.87Å; Y356-Y372 HydrophobicContact CE2-CE2 4.24Å; Y356-Y372 AromaticContact CE2-CZ 3.58Å; Y356-Y372 WeakPolarHBondContact CE2-OH 3.42Å; V369-Y372 HydrophobicContact CB-CE2 4.01Å; V369-Y372 HydrophobicContact CG1-CE2 4.46Å; V369-Y372 WeakPolarHBondContact O-CD2 3.5Å; V369-Y372 WeakPolarHBondContact O-CE2 3.32Å; Y372-V374 PolarHBondContact O-N 2.9Å; Y372-V374 VanDerWaalsContact O-N 3.15Å; Y372-L375 WeakPolarHBondContact O-CB 3.49Å; Y372-L375 PolarHBondContact O-N 3.44Å; Y372-I376 PolarHBondContact O-N 3.2Å; Y372-I376 VanDerWaalsContact O-N 3.16Å
373	P	98.8	Very high	98.2	Very high	4 Å²	4	31.7 Å²	31.7	3%	0.026	18%	0.183	C	C	.	.	H	α-helix	trans	-58.4	-27.1	175.3	-25.8	35.5	0	0	0	114.3	R81 M84 L130 S370 T371 I376 E377	R81-P373 HydrophobicContact CG-CB 4.18Å; M84-P373 HydrophobicContact CE-CG 4.35Å; M84-P373 HydrophobicContact SD-CB 4.01Å; M84-P373 HydrophobicContact SD-CG 3.83Å; L130-P373 HydrophobicContact CD1-CG 4.39Å; S370-P373 WeakPolarHBondContact O-CD 3.34Å; T371-P373 VanDerWaalsContact C-N 3.28Å; T371-P373 VanDerWaalsContact O-N 3.14Å; P373-I376 PolarHBondContact O-N 3.39Å; P373-E377 WeakPolarHBondContact O-CB 3.34Å; P373-E377 PolarHBondContact O-N 3Å
374	V	98.7	Very high	98.4	Very high	44 Å²	44	32 Å²	32	27%	0.267	18%	0.184	S	C	.	.	H	α-helix	trans	-67.4	-40	175.8	-176.2	0	0	0	0	110.6	V331 T371 Y372 E378	V331-V374 HydrophobicContact CB-CG1 4.34Å; V331-V374 HydrophobicContact CG1-CG1 4.27Å; V331-V374 HydrophobicContact CG2-CG1 4.19Å; T371-V374 VanDerWaalsContact O-CB 3.23Å; T371-V374 WeakPolarHBondContact O-CB 3.41Å; T371-V374 WeakPolarHBondContact O-CG2 3.48Å; T371-V374 PolarHBondContact O-N 3.24Å; Y372-V374 PolarHBondContact O-N 2.9Å; Y372-V374 VanDerWaalsContact O-N 3.15Å; V374-E378 PolarHBondContact O-N 2.89Å
375	L	98.8	Very high	98.5	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-66	-42.8	174.9	177.4	59.5	0	0	0	111.7	L318 V331 V334 A335 F338 I352 L366 Y372 E377 E378 L379	L318-L375 HydrophobicContact CD2-CD2 3.84Å; V331-L375 HydrophobicContact CG2-CB 4.23Å; V331-L375 HydrophobicContact CG2-CD1 4.08Å; V334-L375 HydrophobicContact CG1-CD1 3.86Å; V334-L375 HydrophobicContact CG1-CD2 4.32Å; A335-L375 HydrophobicContact CB-CD1 4.45Å; F338-L375 HydrophobicContact CE2-CD1 4.28Å; F338-L375 HydrophobicContact CE2-CD2 3.95Å; F338-L375 HydrophobicContact CZ-CD2 3.92Å; I352-L375 HydrophobicContact CD1-CD2 4.01Å; L366-L375 HydrophobicContact CD2-CB 4.07Å; Y372-L375 WeakPolarHBondContact O-CB 3.49Å; Y372-L375 PolarHBondContact O-N 3.44Å; L375-E377 VanDerWaalsContact C-N 3.34Å; L375-E378 PolarHBondContact O-N 3.44Å; L375-L379 HydrophobicContact CD1-CD1 4.44Å; L375-L379 HydrophobicContact CD1-CG 4.32Å; L375-L379 HydrophobicContact CG-CD1 4.35Å; L375-L379 WeakPolarHBondContact O-CG 3.25Å; L375-L379 PolarHBondContact O-N 3.19Å
376	I	98.8	Very high	98.6	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-66.4	-39.2	178.7	-56.5	-53.4	0	0	0	111.1	A80 L83 M84 I352 Y372 P373 E378 L379 L380 L389 L393	A80-I376 HydrophobicContact CB-CB 4.07Å; A80-I376 HydrophobicContact CB-CG2 3.84Å; L83-I376 HydrophobicContact CD2-CG2 4.32Å; M84-I376 HydrophobicContact CE-CG1 4.28Å; M84-I376 HydrophobicContact CG-CG1 4.12Å; M84-I376 HydrophobicContact CG-CG2 4.49Å; M84-I376 HydrophobicContact SD-CB 4.17Å; M84-I376 HydrophobicContact SD-CG1 3.63Å; I352-I376 HydrophobicContact CD1-CD1 4.19Å; Y372-I376 PolarHBondContact O-N 3.2Å; Y372-I376 VanDerWaalsContact O-N 3.16Å; P373-I376 PolarHBondContact O-N 3.39Å; I376-E378 VanDerWaalsContact C-N 3.33Å; I376-E378 PolarHBondContact O-N 2.85Å; I376-L379 PolarHBondContact O-N 3.43Å; I376-L380 HydrophobicContact CG2-CD1 4.42Å; I376-L380 WeakPolarHBondContact O-CG 3.29Å; I376-L380 PolarHBondContact O-N 2.84Å; I376-L389 HydrophobicContact CG2-CD1 4.24Å; I376-L393 HydrophobicContact CD1-CD2 3.71Å; I376-L393 HydrophobicContact CD1-CG 4.28Å; I376-L393 HydrophobicContact CG1-CD2 4.01Å
377	E	98.8	Very high	98.6	Very high	33 Å²	33	38.2 Å²	38.2	15%	0.154	21%	0.214	C	C	.	.	H	α-helix	trans	-58.2	-44.5	171.5	-178.6	-177.7	165.7	0	0	111.5	T73 L76 R77 A80 P373 L375 L380 S381	T73-E377 WeakPolarHBondContact CG2-OE1 3.33Å; L76-E377 HydrophobicContact CB-CG 4.06Å; R77-E377 WeakPolarHBondContact CB-OE2 3.48Å; R77-E377 WeakPolarHBondContact CG-OE2 3.43Å; A80-E377 HydrophobicContact CB-CB 4.11Å; P373-E377 WeakPolarHBondContact O-CB 3.34Å; P373-E377 PolarHBondContact O-N 3Å; L375-E377 VanDerWaalsContact C-N 3.34Å; E377-L380 PolarHBondContact O-N 3Å; E377-S381 PolarHBondContact O-N 3.25Å
378	E	98.8	Very high	98.7	Very high	41 Å²	41	35.4 Å²	35.4	19%	0.192	20%	0.201	C	C	.	.	H	α-helix	trans	-64.9	-40.7	177.5	177.3	61.9	-173.1	0	0	112.5	V331 A335 V374 L375 I376 S381 R382	V331-E378 HydrophobicContact CG1-CB 4.44Å; V331-E378 HydrophobicContact CG1-CG 4.42Å; V331-E378 HydrophobicContact CG2-CB 3.82Å; V331-E378 HydrophobicContact CG2-CG 4.15Å; A335-E378 HydrophobicContact CB-CG 3.64Å; V374-E378 PolarHBondContact O-N 2.89Å; L375-E378 PolarHBondContact O-N 3.44Å; I376-E378 VanDerWaalsContact C-N 3.33Å; I376-E378 PolarHBondContact O-N 2.85Å; E378-S381 PolarHBondContact O-N 2.62Å; E378-S381 PolarHBondContact O-OG 3.16Å; E378-S381 PolarHBondContact OE2-OG 3.38Å; E378-R382 WeakPolarHBondContact O-CG 3.35Å; E378-R382 PolarHBondContact O-N 2.8Å; E378-R382 IonicContact OE1-CZ 3.58Å; E378-R382 VanDerWaalsContact OE1-CZ 3.28Å; E378-R382 IonicContact OE1-NE 3.28Å; E378-R382 PolarHBondContact OE1-NE 2.69Å; E378-R382 IonicContact OE1-NH2 2.73Å; E378-R382 PolarHBondContact OE1-NH2 3.29Å
379	L	98.8	Very high	98.7	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-67.8	-38.6	176.7	-64.4	174.4	0	0	0	111.8	A335 F338 L375 I376 S381 R382 G383 W384 L389	A335-L379 HydrophobicContact CB-CD2 3.85Å; F338-L379 HydrophobicContact CB-CD2 3.76Å; F338-L379 HydrophobicContact CD1-CD1 3.99Å; F338-L379 HydrophobicContact CE1-CD1 4.34Å; F338-L379 HydrophobicContact CG-CD1 4.28Å; F338-L379 HydrophobicContact CG-CD2 4.09Å; L375-L379 HydrophobicContact CD1-CD1 4.44Å; L375-L379 HydrophobicContact CD1-CG 4.32Å; L375-L379 HydrophobicContact CG-CD1 4.35Å; L375-L379 WeakPolarHBondContact O-CG 3.25Å; L375-L379 PolarHBondContact O-N 3.19Å; I376-L379 PolarHBondContact O-N 3.43Å; L379-S381 VanDerWaalsContact C-N 3.33Å; L379-S381 PolarHBondContact O-N 3.13Å; L379-R382 PolarHBondContact O-N 3.16Å; L379-G383 PolarHBondContact O-N 2.99Å; L379-W384 HydrophobicContact CB-CB 4.27Å; L379-W384 HydrophobicContact CB-CD2 4.48Å; L379-W384 HydrophobicContact CB-CG 4.01Å; L379-W384 HydrophobicContact CD2-CZ2 4.43Å; L379-W384 VanDerWaalsContact O-CB 3.3Å; L379-W384 WeakPolarHBondContact O-CB 3.31Å; L379-W384 PolarHBondContact O-N 2.93Å; L379-W384 VanDerWaalsContact O-N 3.11Å; L379-L389 HydrophobicContact CB-CD2 3.8Å; L379-L389 HydrophobicContact CD1-CD2 3.68Å; L379-L389 HydrophobicContact CG-CD2 4.4Å
380	L	98.7	Very high	98.7	Very high	16 Å²	16	36.8 Å²	36.8	8%	0.084	21%	0.206	C	C	.	.	H	α-helix	trans	-61.3	-41.9	172	-75.2	169.9	0	0	0	111.5	L76 Q79 A80 I376 E377 R382 G383 E386 L389	L76-L380 HydrophobicContact CD2-CB 4.2Å; Q79-L380 HydrophobicContact CB-CD1 4.26Å; Q79-L380 HydrophobicContact CG-CD1 4.04Å; A80-L380 HydrophobicContact CB-CD1 3.93Å; I376-L380 HydrophobicContact CG2-CD1 4.42Å; I376-L380 WeakPolarHBondContact O-CG 3.29Å; I376-L380 PolarHBondContact O-N 2.84Å; E377-L380 PolarHBondContact O-N 3Å; L380-R382 PolarHBondContact O-N 3.22Å; L380-G383 PolarHBondContact O-N 3.32Å; L380-E386 HydrophobicContact CD2-CG 4.48Å; L380-L389 HydrophobicContact CD2-CD1 3.48Å; L380-L389 VanDerWaalsContact CD2-CD1 3.48Å; L380-L389 HydrophobicContact CG-CD1 3.59Å
381	S	98.5	Very high	98.7	Very high	65 Å²	65	35.6 Å²	35.6	46%	0.455	20%	0.2	S	C	.	.	H	α-helix	trans	-60.5	-28.8	177.8	93.4	0	0	0	0	112.3	E377 E378 L379 G383	E377-S381 PolarHBondContact O-N 3.25Å; E378-S381 PolarHBondContact O-N 2.62Å; E378-S381 PolarHBondContact O-OG 3.16Å; E378-S381 PolarHBondContact OE2-OG 3.38Å; L379-S381 VanDerWaalsContact C-N 3.33Å; L379-S381 PolarHBondContact O-N 3.13Å; S381-G383 VanDerWaalsContact C-N 3.32Å
382	R	98.5	Very high	98.7	Very high	65 Å²	65	35 Å²	35	25%	0.245	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	4.6	176.1	-66.1	169.8	177.7	-128.7	0.6	114.5	S332 D336 D339 E378 L379 L380	S332-R382 VanDerWaalsContact CA-NH2 3.26Å; S332-R382 PolarHBondContact O-NH2 3.35Å; S332-R382 PolarHBondContact OG-NH2 2.9Å; D336-R382 IonicContact OD1-CZ 2.7Å; D336-R382 IonicContact OD1-NH1 3.43Å; D336-R382 PolarHBondContact OD1-NH1 3.11Å; D336-R382 IonicContact OD1-NH2 2.63Å; D336-R382 PolarHBondContact OD1-NH2 3.07Å; D339-R382 WeakPolarHBondContact OD2-CD 3.37Å; D339-R382 IonicContact OD2-CZ 3.61Å; D339-R382 IonicContact OD2-NE 2.92Å; D339-R382 IonicContact OD2-NH1 3.74Å; D339-R382 PolarHBondContact OD2-NH1 2.98Å; E378-R382 WeakPolarHBondContact O-CG 3.35Å; E378-R382 PolarHBondContact O-N 2.8Å; E378-R382 IonicContact OE1-CZ 3.58Å; E378-R382 VanDerWaalsContact OE1-CZ 3.28Å; E378-R382 IonicContact OE1-NE 3.28Å; E378-R382 PolarHBondContact OE1-NE 2.69Å; E378-R382 IonicContact OE1-NH2 2.73Å; E378-R382 PolarHBondContact OE1-NH2 3.29Å; L379-R382 PolarHBondContact O-N 3.16Å; L380-R382 PolarHBondContact O-N 3.22Å
383	G	98.1	Very high	98.7	Very high	60 Å²	60	35.1 Å²	35.1	62%	0.619	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.9	22.4	176.6	0	0	0	0	0	114.4	L379 L380 S381	L379-G383 PolarHBondContact O-N 2.99Å; L380-G383 PolarHBondContact O-N 3.32Å; S381-G383 VanDerWaalsContact C-N 3.32Å
384	W	98.8	Very high	98.7	Very high	7 Å²	7	36.7 Å²	36.7	3%	0.027	20%	0.202	C	C	.	.			trans	-65.1	134.5	163.6	-73.6	64.5	0	0	0	109.9	F338 D339 K342 I350 L379 E388 L389 V392	F338-W384 HydrophobicContact CB-CH2 4.22Å; F338-W384 HydrophobicContact CB-CZ2 3.83Å; D339-W384 PolarHBondContact OD1-NE1 3.15Å; K342-W384 HydrophobicContact CB-CH2 3.68Å; K342-W384 HydrophobicContact CB-CZ2 3.69Å; K342-W384 HydrophobicContact CD-CD2 3.96Å; K342-W384 HydrophobicContact CD-CE3 4.07Å; K342-W384 HydrophobicContact CD-CH2 3.55Å; K342-W384 HydrophobicContact CD-CZ2 3.36Å; K342-W384 HydrophobicContact CD-CZ3 3.89Å; K342-W384 HydrophobicContact CG-CH2 4.13Å; K342-W384 HydrophobicContact CG-CZ2 4.14Å; I350-W384 HydrophobicContact CD1-CH2 3.78Å; L379-W384 HydrophobicContact CB-CB 4.27Å; L379-W384 HydrophobicContact CB-CD2 4.48Å; L379-W384 HydrophobicContact CB-CG 4.01Å; L379-W384 HydrophobicContact CD2-CZ2 4.43Å; L379-W384 VanDerWaalsContact O-CB 3.3Å; L379-W384 WeakPolarHBondContact O-CB 3.31Å; L379-W384 PolarHBondContact O-N 2.93Å; L379-W384 VanDerWaalsContact O-N 3.11Å; W384-E388 HydrophobicContact CE3-CB 3.86Å; W384-E388 HydrophobicContact CZ3-CB 4.38Å; W384-L389 HydrophobicContact CB-CD1 4.03Å; W384-L389 HydrophobicContact CB-CD2 4.16Å; W384-L389 HydrophobicContact CB-CG 3.96Å; W384-L389 HydrophobicContact CD2-CD2 4.42Å; W384-L389 HydrophobicContact CE3-CD2 4.07Å; W384-L389 HydrophobicContact CG-CD2 4.5Å; W384-V392 HydrophobicContact CE3-CG2 4.45Å; W384-V392 HydrophobicContact CH2-CG2 4.5Å; W384-V392 HydrophobicContact CZ3-CG2 3.75Å
385	S	98.6	Very high	98.7	Very high	53 Å²	53	36.1 Å²	36.1	37%	0.371	21%	0.205	S	C	.	.			trans	-76.8	155.7	175.4	66.1	0	0	0	0	111.1	E387 E388 L389	S385-E387 VanDerWaalsContact C-N 3.26Å; S385-E387 PolarHBondContact O-N 3.29Å; S385-E388 PolarHBondContact N-OE2 2.92Å; S385-E388 PolarHBondContact O-N 2.93Å; S385-E388 WeakPolarHBondContact OG-CG 3.33Å; S385-E388 PolarHBondContact OG-N 3.18Å; S385-E388 PolarHBondContact OG-OE2 3.17Å; S385-L389 PolarHBondContact O-N 2.99Å; S385-L389 VanDerWaalsContact O-N 3.08Å
386	E	98.6	Very high	98.7	Very high	82 Å²	82	36.7 Å²	36.7	38%	0.383	21%	0.208	S	C	.	.	H	α-helix	trans	-58	-39.5	175.1	-68.3	-175.2	-172.7	0	0	111.7	Q79 L83 L380 E388 L389 Q390	Q79-E386 PolarHBondContact NE2-OE1 3.44Å; L83-E386 HydrophobicContact CD1-CB 4.07Å; L83-E386 HydrophobicContact CD1-CG 4.35Å; L83-E386 HydrophobicContact CD2-CG 4.45Å; L380-E386 HydrophobicContact CD2-CG 4.48Å; E386-E388 VanDerWaalsContact C-N 3.34Å; E386-E388 PolarHBondContact O-N 3.38Å; E386-L389 CarbonylContact O-C 3.32Å; E386-L389 PolarHBondContact O-N 3.42Å; E386-L389 VanDerWaalsContact O-N 3.13Å; E386-Q390 WeakPolarHBondContact O-CG 3.42Å; E386-Q390 PolarHBondContact O-N 3.49Å
387	E	98.7	Very high	98.7	Very high	156 Å²	156	36.8 Å²	36.8	73%	0.729	21%	0.209	S	C	*	.	H	α-helix	trans	-59.3	-43.2	177	-175.4	-178.8	179	0	0	112.2	S385 L389 Q390 G391	S385-E387 VanDerWaalsContact C-N 3.26Å; S385-E387 PolarHBondContact O-N 3.29Å; E387-L389 VanDerWaalsContact C-N 3.31Å; E387-L389 PolarHBondContact O-N 3.14Å; E387-Q390 PolarHBondContact O-N 2.88Å; E387-G391 PolarHBondContact O-N 3.25Å
388	E	98.9	Very high	98.8	Very high	40 Å²	40	36.2 Å²	36.2	19%	0.187	21%	0.206	C	C	.	.	H	α-helix	trans	-63.6	-41.2	175.9	-68.1	177.7	116.2	0	0	111.5	K342 S347 W384 S385 E386 G391 V392	K342-E388 WeakPolarHBondContact CE-OE1 3.44Å; K342-E388 IonicContact NZ-OE1 3.87Å; K342-E388 PolarHBondContact NZ-OE1 3.1Å; K342-E388 IonicContact NZ-OE2 3.38Å; K342-E388 PolarHBondContact NZ-OE2 3.06Å; S347-E388 WeakPolarHBondContact CB-OE1 3.38Å; S347-E388 WeakPolarHBondContact OG-CG 3.25Å; S347-E388 PolarHBondContact OG-OE1 2.74Å; S347-E388 VanDerWaalsContact OG-OE1 3.1Å; W384-E388 HydrophobicContact CE3-CB 3.86Å; W384-E388 HydrophobicContact CZ3-CB 4.38Å; S385-E388 PolarHBondContact N-OE2 2.92Å; S385-E388 PolarHBondContact O-N 2.93Å; S385-E388 WeakPolarHBondContact OG-CG 3.33Å; S385-E388 PolarHBondContact OG-N 3.18Å; S385-E388 PolarHBondContact OG-OE2 3.17Å; E386-E388 VanDerWaalsContact C-N 3.34Å; E386-E388 PolarHBondContact O-N 3.38Å; E388-G391 WeakPolarHBondContact O-CA 3.38Å; E388-G391 PolarHBondContact O-N 3.22Å; E388-V392 WeakPolarHBondContact O-CG2 3.38Å; E388-V392 PolarHBondContact O-N 3Å
389	L	98.9	Very high	98.8	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-72.7	-30.9	-179.8	-69.4	173.7	0	0	0	112.7	L83 I376 L379 L380 W384 S385 E386 E387 G391 V392 L393	L83-L389 HydrophobicContact CD2-CB 3.57Å; L83-L389 HydrophobicContact CD2-CD1 4.08Å; L83-L389 HydrophobicContact CD2-CG 4.5Å; I376-L389 HydrophobicContact CG2-CD1 4.24Å; L379-L389 HydrophobicContact CB-CD2 3.8Å; L379-L389 HydrophobicContact CD1-CD2 3.68Å; L379-L389 HydrophobicContact CG-CD2 4.4Å; L380-L389 HydrophobicContact CD2-CD1 3.48Å; L380-L389 VanDerWaalsContact CD2-CD1 3.48Å; L380-L389 HydrophobicContact CG-CD1 3.59Å; W384-L389 HydrophobicContact CB-CD1 4.03Å; W384-L389 HydrophobicContact CB-CD2 4.16Å; W384-L389 HydrophobicContact CB-CG 3.96Å; W384-L389 HydrophobicContact CD2-CD2 4.42Å; W384-L389 HydrophobicContact CE3-CD2 4.07Å; W384-L389 HydrophobicContact CG-CD2 4.5Å; S385-L389 PolarHBondContact O-N 2.99Å; S385-L389 VanDerWaalsContact O-N 3.08Å; E386-L389 CarbonylContact O-C 3.32Å; E386-L389 PolarHBondContact O-N 3.42Å; E386-L389 VanDerWaalsContact O-N 3.13Å; E387-L389 VanDerWaalsContact C-N 3.31Å; E387-L389 PolarHBondContact O-N 3.14Å; L389-G391 PolarHBondContact O-N 3.45Å; L389-V392 PolarHBondContact O-N 2.04Å; L389-L393 VanDerWaalsContact O-CB 3.24Å; L389-L393 WeakPolarHBondContact O-CB 3.44Å; L389-L393 WeakPolarHBondContact O-CD1 3.35Å; L389-L393 WeakPolarHBondContact O-CG 3.43Å; L389-L393 PolarHBondContact O-N 3.28Å
390	Q	98.8	Very high	98.8	Very high	57 Å²	57	38.4 Å²	38.4	27%	0.266	21%	0.213	S	C	.	.	H	α-helix	trans	-58.4	-41	167.8	-68.6	169.2	21.5	0	0	110.8	L83 F87 E386 E387 R394 G395	L83-Q390 HydrophobicContact CD1-CG 3.86Å; F87-Q390 HydrophobicContact CD1-CB 4.07Å; F87-Q390 HydrophobicContact CD1-CG 3.89Å; F87-Q390 HydrophobicContact CD2-CG 3.57Å; F87-Q390 HydrophobicContact CE1-CB 4.24Å; F87-Q390 HydrophobicContact CE1-CG 3.88Å; F87-Q390 VanDerWaalsContact CE2-CD 3.47Å; F87-Q390 HydrophobicContact CE2-CG 3.57Å; F87-Q390 HydrophobicContact CG-CB 4.22Å; F87-Q390 HydrophobicContact CG-CG 3.73Å; F87-Q390 HydrophobicContact CZ-CG 3.72Å; E386-Q390 WeakPolarHBondContact O-CG 3.42Å; E386-Q390 PolarHBondContact O-N 3.49Å; E387-Q390 PolarHBondContact O-N 2.88Å; Q390-R394 PolarHBondContact O-N 2.99Å; Q390-R394 VanDerWaalsContact O-N 3.14Å; Q390-G395 PolarHBondContact O-N 3.46Å
391	G	98.9	Very high	98.8	Very high	10 Å²	10	37.6 Å²	37.6	10%	0.103	21%	0.209	C	C	.	.	I	π-helix	trans	-59.6	-54.7	171.8	0	0	0	0	0	112.1	E387 E388 L389 L393 R394 G395 N396	E387-G391 PolarHBondContact O-N 3.25Å; E388-G391 WeakPolarHBondContact O-CA 3.38Å; E388-G391 PolarHBondContact O-N 3.22Å; L389-G391 PolarHBondContact O-N 3.45Å; G391-L393 VanDerWaalsContact C-N 3.33Å; G391-L393 PolarHBondContact O-N 3.35Å; G391-R394 PolarHBondContact O-N 3.01Å; G391-G395 PolarHBondContact O-N 3.29Å; G391-G395 VanDerWaalsContact O-N 3.17Å; G391-N396 VanDerWaalsContact C-CG 3.42Å; G391-N396 VanDerWaalsContact O-CB 3.26Å; G391-N396 WeakPolarHBondContact O-CB 3.32Å; G391-N396 PolarHBondContact O-N 2.98Å; G391-N396 PolarHBondContact O-ND2 3.49Å
392	V	98.9	Very high	98.8	Very high	3 Å²	3	37.3 Å²	37.3	2%	0.018	21%	0.207	C	C	.	.	I	π-helix	trans	-59.4	-42.8	-179.6	171.9	0	0	0	0	112.1	F338 I350 I352 W384 E388 L389 N396	F338-V392 HydrophobicContact CD1-CG1 4.36Å; F338-V392 HydrophobicContact CE1-CG1 3.78Å; I350-V392 HydrophobicContact CB-CG2 4.21Å; I350-V392 HydrophobicContact CG2-CG2 4.24Å; I352-V392 HydrophobicContact CD1-CG1 4.09Å; I352-V392 HydrophobicContact CG1-CG1 3.82Å; W384-V392 HydrophobicContact CE3-CG2 4.45Å; W384-V392 HydrophobicContact CH2-CG2 4.5Å; W384-V392 HydrophobicContact CZ3-CG2 3.75Å; E388-V392 WeakPolarHBondContact O-CG2 3.38Å; E388-V392 PolarHBondContact O-N 3Å; L389-V392 PolarHBondContact O-N 2.04Å; V392-N396 PolarHBondContact N-ND2 3.22Å
393	L	98.9	Very high	98.8	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	21%	0.212	C	C	.	.	I	π-helix	trans	-65.4	-44	-178.4	-74.4	167.4	0	0	0	111.8	L83 M84 F87 L89 V90 I376 L389 G391	L83-L393 HydrophobicContact CD2-CD1 4.08Å; L83-L393 HydrophobicContact CG-CD1 3.93Å; M84-L393 HydrophobicContact CE-CD2 4.07Å; M84-L393 HydrophobicContact CG-CD1 4.01Å; M84-L393 HydrophobicContact CG-CD2 3.84Å; F87-L393 HydrophobicContact CB-CD1 4.21Å; L89-L393 CarbonylContact C-O 3.54Å; L89-L393 WeakPolarHBondContact CA-O 3.5Å; L89-L393 HydrophobicContact CB-CD2 4.12Å; L89-L393 HydrophobicContact CD1-CD2 3.81Å; V90-L393 PolarHBondContact N-O 3.18Å; I376-L393 HydrophobicContact CD1-CD2 3.71Å; I376-L393 HydrophobicContact CD1-CG 4.28Å; I376-L393 HydrophobicContact CG1-CD2 4.01Å; L389-L393 VanDerWaalsContact O-CB 3.24Å; L389-L393 WeakPolarHBondContact O-CB 3.44Å; L389-L393 WeakPolarHBondContact O-CD1 3.35Å; L389-L393 WeakPolarHBondContact O-CG 3.43Å; L389-L393 PolarHBondContact O-N 3.28Å; G391-L393 VanDerWaalsContact C-N 3.33Å; G391-L393 PolarHBondContact O-N 3.35Å
394	R	98.8	Very high	98.9	Very high	38 Å²	38	35.8 Å²	35.8	14%	0.143	18%	0.182	C	C	.	.	I	π-helix	trans	-156	-36.5	-175.6	62.8	-174.4	-70.3	147	-10	115.4	F87 V90 N180 Q390 G391 N396 L397 L398	F87-R394 HydrophobicContact CB-CG 4.29Å; F87-R394 HydrophobicContact CD1-CG 4.49Å; V90-R394 HydrophobicContact CB-CB 4.49Å; V90-R394 HydrophobicContact CG2-CB 3.58Å; N180-R394 PolarHBondContact OD1-NH2 2.77Å; Q390-R394 PolarHBondContact O-N 2.99Å; Q390-R394 VanDerWaalsContact O-N 3.14Å; G391-R394 PolarHBondContact O-N 3.01Å; R394-N396 VanDerWaalsContact C-N 3.28Å; R394-N396 PolarHBondContact O-N 3.45Å; R394-L397 PolarHBondContact O-N 3.27Å; R394-L398 HydrophobicContact CB-CD1 4.36Å; R394-L398 HydrophobicContact CG-CD1 4.49Å; R394-L398 PolarHBondContact O-N 2.8Å
395	G	98.9	Very high	98.9	Very high	32 Å²	32	37 Å²	37	33%	0.33	19%	0.189	S	C	.	.	I	π-helix	trans	-60.7	-36.6	-168.6	0	0	0	0	0	113.3	Q390 G391 R399	Q390-G395 PolarHBondContact O-N 3.46Å; G391-G395 PolarHBondContact O-N 3.29Å; G391-G395 VanDerWaalsContact O-N 3.17Å; G395-R399 WeakPolarHBondContact O-CB 3.38Å; G395-R399 PolarHBondContact O-N 3.01Å
396	N	98.9	Very high	98.9	Very high	11 Å²	11	39.7 Å²	39.7	6%	0.059	19%	0.193	C	C	.	.	H	α-helix	trans	-69.9	-42.3	-179	-67.2	-27.7	0	0	0	112.3	I313 S347 K348 I350 G391 V392 R394 R399 V400	I313-N396 HydrophobicContact CD1-CB 3.58Å; I313-N396 HydrophobicContact CG1-CB 4.44Å; S347-N396 PolarHBondContact O-ND2 3.34Å; K348-N396 WeakPolarHBondContact CA-OD1 3.36Å; K348-N396 PolarHBondContact O-ND2 3.03Å; K348-N396 PolarHBondContact O-OD1 3.43Å; I350-N396 PolarHBondContact O-ND2 3.14Å; G391-N396 VanDerWaalsContact C-CG 3.42Å; G391-N396 VanDerWaalsContact O-CB 3.26Å; G391-N396 WeakPolarHBondContact O-CB 3.32Å; G391-N396 PolarHBondContact O-N 2.98Å; G391-N396 PolarHBondContact O-ND2 3.49Å; V392-N396 PolarHBondContact N-ND2 3.22Å; R394-N396 VanDerWaalsContact C-N 3.28Å; R394-N396 PolarHBondContact O-N 3.45Å; N396-R399 PolarHBondContact O-N 3.14Å; N396-R399 PolarHBondContact OD1-NH1 2.96Å; N396-V400 WeakPolarHBondContact O-CG2 3.47Å; N396-V400 PolarHBondContact O-N 2.74Å; N396-V400 VanDerWaalsContact O-N 3.15Å
397	L	98.9	Very high	98.9	Very high	3 Å²	3	35.9 Å²	35.9	2%	0.016	18%	0.176	C	C	.	.	H	α-helix	trans	-66.4	-46.9	175.3	-179.4	-77.2	0	0	0	110.4	V90 F135 L179 M260 I313 M315 R394 R399 V400 F401	V90-L397 HydrophobicContact CG1-CB 4.44Å; V90-L397 HydrophobicContact CG1-CD1 3.86Å; V90-L397 HydrophobicContact CG1-CG 3.94Å; F135-L397 HydrophobicContact CE2-CD1 4.19Å; F135-L397 HydrophobicContact CE2-CG 4.46Å; L179-L397 HydrophobicContact CD1-CD1 4.13Å; M260-L397 HydrophobicContact SD-CD2 4.18Å; I313-L397 HydrophobicContact CD1-CB 4.39Å; M315-L397 HydrophobicContact CE-CB 4.49Å; M315-L397 HydrophobicContact CE-CD2 4.44Å; M315-L397 HydrophobicContact CE-CG 4.27Å; M315-L397 HydrophobicContact SD-CD2 4.27Å; R394-L397 PolarHBondContact O-N 3.27Å; L397-R399 VanDerWaalsContact C-N 3.26Å; L397-R399 PolarHBondContact O-N 3.12Å; L397-V400 PolarHBondContact O-N 3.35Å; L397-F401 HydrophobicContact CD1-CB 4.36Å; L397-F401 HydrophobicContact CD1-CD1 4.48Å; L397-F401 WeakPolarHBondContact O-CB 3.01Å; L397-F401 PolarHBondContact O-N 3.08Å
398	L	98.9	Very high	98.8	Very high	20 Å²	20	31.3 Å²	31.3	11%	0.105	15%	0.154	C	C	.	.	H	α-helix	trans	-56.2	-40.4	177.6	-81	168.9	0	0	0	112.2	A176 L179 N180 R394 S402	A176-L398 HydrophobicContact CB-CD2 4.28Å; A176-L398 WeakPolarHBondContact O-CD2 3.35Å; L179-L398 HydrophobicContact CB-CD2 4.41Å; L179-L398 HydrophobicContact CD2-CD2 3.71Å; L179-L398 HydrophobicContact CD2-CG 4.18Å; L179-L398 HydrophobicContact CG-CD2 4.49Å; N180-L398 HydrophobicContact CB-CD1 4.45Å; N180-L398 HydrophobicContact CB-CD2 4.1Å; R394-L398 HydrophobicContact CB-CD1 4.36Å; R394-L398 HydrophobicContact CG-CD1 4.49Å; R394-L398 PolarHBondContact O-N 2.8Å; L398-S402 VanDerWaalsContact O-CB 3.27Å; L398-S402 WeakPolarHBondContact O-CB 3.47Å; L398-S402 PolarHBondContact O-N 2.71Å; L398-S402 PolarHBondContact O-OG 2.87Å
399	R	98.9	Very high	98.8	Very high	87 Å²	87	35.6 Å²	35.6	33%	0.328	17%	0.174	S	C	.	.	H	α-helix	trans	-60.7	-49.2	173.6	179.6	-161.3	66.5	-121.6	1.5	111.9	G312 K348 G395 N396 L397 R403	G312-R399 PolarHBondContact O-NH2 3.4Å; K348-R399 PolarHBondContact O-NH1 3.35Å; K348-R399 PolarHBondContact O-NH2 2.75Å; G395-R399 WeakPolarHBondContact O-CB 3.38Å; G395-R399 PolarHBondContact O-N 3.01Å; N396-R399 PolarHBondContact O-N 3.14Å; N396-R399 PolarHBondContact OD1-NH1 2.96Å; L397-R399 VanDerWaalsContact C-N 3.26Å; L397-R399 PolarHBondContact O-N 3.12Å; R399-R403 WeakPolarHBondContact O-CB 3.46Å; R399-R403 PolarHBondContact O-N 3.47Å
400	V	98.9	Very high	98.7	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-62.4	-48.9	-179.6	169	0	0	0	0	110.3	M260 P281 I283 I313 N396 L397 S402 R403 V404	M260-V400 HydrophobicContact SD-CG1 4.37Å; P281-V400 HydrophobicContact CB-CG1 4.08Å; P281-V400 HydrophobicContact CB-CG2 4.36Å; P281-V400 HydrophobicContact CG-CG1 4.08Å; I283-V400 HydrophobicContact CG2-CG1 3.85Å; I313-V400 HydrophobicContact CB-CG2 4.07Å; I313-V400 HydrophobicContact CG2-CB 4.41Å; I313-V400 HydrophobicContact CG2-CG1 4.44Å; I313-V400 HydrophobicContact CG2-CG2 3.93Å; N396-V400 WeakPolarHBondContact O-CG2 3.47Å; N396-V400 PolarHBondContact O-N 2.74Å; N396-V400 VanDerWaalsContact O-N 3.15Å; L397-V400 PolarHBondContact O-N 3.35Å; V400-S402 PolarHBondContact O-N 3.24Å; V400-R403 PolarHBondContact O-N 2.98Å; V400-V404 HydrophobicContact CG1-CG2 4.5Å; V400-V404 WeakPolarHBondContact O-CG2 3.44Å; V400-V404 PolarHBondContact O-N 3.26Å
401	F	98.9	Very high	98.5	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-62.1	-46.6	-179.3	-165	-178.1	0	0	0	111.3	S175 A176 L188 R213 M260 L397 R403 V404 E405	S175-F401 VanDerWaalsContact C-CE1 3.49Å; A176-F401 HydrophobicContact CB-CB 4.03Å; A176-F401 HydrophobicContact CB-CD1 3.96Å; A176-F401 HydrophobicContact CB-CG 3.94Å; L188-F401 HydrophobicContact CD2-CE1 3.64Å; L188-F401 HydrophobicContact CD2-CZ 4.36Å; R213-F401 HydrophobicContact CB-CZ 4.11Å; R213-F401 HydrophobicContact CG-CE2 4.43Å; R213-F401 HydrophobicContact CG-CZ 3.86Å; M260-F401 HydrophobicContact CE-CD1 4.29Å; M260-F401 HydrophobicContact CE-CD2 4.02Å; M260-F401 HydrophobicContact CE-CE2 4.31Å; M260-F401 HydrophobicContact CE-CG 4.02Å; M260-F401 HydrophobicContact SD-CB 4.2Å; M260-F401 HydrophobicContact SD-CD2 4.4Å; M260-F401 HydrophobicContact SD-CG 4.31Å; L397-F401 HydrophobicContact CD1-CB 4.36Å; L397-F401 HydrophobicContact CD1-CD1 4.48Å; L397-F401 WeakPolarHBondContact O-CB 3.01Å; L397-F401 PolarHBondContact O-N 3.08Å; F401-R403 VanDerWaalsContact C-N 3.28Å; F401-R403 PolarHBondContact O-N 2.83Å; F401-V404 WeakPolarHBondContact O-CB 2.96Å; F401-V404 PolarHBondContact O-N 3.14Å; F401-V404 VanDerWaalsContact O-N 3.1Å; F401-E405 HydrophobicContact CD2-CG 4.04Å; F401-E405 HydrophobicContact CE2-CG 3.98Å; F401-E405 WeakPolarHBondContact O-CG 3.35Å; F401-E405 PolarHBondContact O-N 3.08Å
402	S	98.9	Very high	98	Very high	58 Å²	58	44.9 Å²	44.9	41%	0.406	22%	0.215	S	C	.	.	H	α-helix	trans	-60.5	-36.6	176.3	-55.3	0	0	0	0	112.3	A176 L398 V400 K406	A176-S402 WeakPolarHBondContact CB-OG 3.44Å; L398-S402 VanDerWaalsContact O-CB 3.27Å; L398-S402 WeakPolarHBondContact O-CB 3.47Å; L398-S402 PolarHBondContact O-N 2.71Å; L398-S402 PolarHBondContact O-OG 2.87Å; V400-S402 PolarHBondContact O-N 3.24Å; S402-K406 WeakPolarHBondContact O-CB 3.39Å; S402-K406 PolarHBondContact O-N 3.49Å
403	R	98.9	Very high	97.5	Very high	93 Å²	93	56 Å²	56	35%	0.351	26%	0.257	S	S	.	.	H	α-helix	trans	-71.5	-35.2	176.9	-179.4	59.2	-175.4	152.1	2.9	111.9	P281 R399 V400 F401 K406 V407 E410	P281-R403 VanDerWaalsContact CD-CG 3.46Å; P281-R403 HydrophobicContact CG-CB 3.73Å; P281-R403 HydrophobicContact CG-CG 3.64Å; R399-R403 WeakPolarHBondContact O-CB 3.46Å; R399-R403 PolarHBondContact O-N 3.47Å; V400-R403 PolarHBondContact O-N 2.98Å; F401-R403 VanDerWaalsContact C-N 3.28Å; F401-R403 PolarHBondContact O-N 2.83Å; R403-K406 PolarHBondContact O-N 2.91Å; R403-V407 WeakPolarHBondContact O-CG2 3.33Å; R403-V407 PolarHBondContact O-N 3.14Å; R403-E410 IonicContact CZ-OE1 3.85Å; R403-E410 IonicContact NH1-OE1 3.64Å; R403-E410 PolarHBondContact NH1-OE1 3.19Å; R403-E410 IonicContact NH1-OE2 3.92Å; R403-E410 IonicContact NH2-OE1 3.98Å; R403-E410 IonicContact NH2-OE2 3.08Å
404	V	98.9	Very high	97.4	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-63.2	-45.2	173.6	167.8	0	0	0	0	110.8	G258 M260 A280 P281 V400 F401 K406 V407 Q408	G258-V404 WeakPolarHBondContact O-CG1 3.5Å; M260-V404 HydrophobicContact CG-CB 4.31Å; M260-V404 HydrophobicContact CG-CG1 4.23Å; M260-V404 HydrophobicContact CG-CG2 3.85Å; A280-V404 HydrophobicContact CB-CG2 3.92Å; P281-V404 HydrophobicContact CG-CG2 4.19Å; P281-V404 WeakPolarHBondContact O-CG2 3.39Å; V400-V404 HydrophobicContact CG1-CG2 4.5Å; V400-V404 WeakPolarHBondContact O-CG2 3.44Å; V400-V404 PolarHBondContact O-N 3.26Å; F401-V404 WeakPolarHBondContact O-CB 2.96Å; F401-V404 PolarHBondContact O-N 3.14Å; F401-V404 VanDerWaalsContact O-N 3.1Å; V404-K406 VanDerWaalsContact C-N 3.33Å; V404-K406 PolarHBondContact O-N 3.11Å; V404-V407 PolarHBondContact O-N 2.96Å; V404-Q408 PolarHBondContact O-N 2.87Å
405	E	98.8	Very high	97.3	Very high	34 Å²	34	65.4 Å²	65.4	16%	0.159	31%	0.308	C	S	.	.	H	α-helix	trans	-61.9	-40.7	174.2	-68	177	144.4	0	0	111.6	S175 A176 F401 V407 Q408 E409	S175-E405 WeakPolarHBondContact CA-OE1 3.41Å; S175-E405 WeakPolarHBondContact CB-OE1 3.49Å; A176-E405 VanDerWaalsContact CB-OE2 3.24Å; A176-E405 WeakPolarHBondContact CB-OE2 3.43Å; A176-E405 PolarHBondContact N-OE1 3.15Å; A176-E405 VanDerWaalsContact N-OE1 3.08Å; A176-E405 PolarHBondContact N-OE2 3.09Å; F401-E405 HydrophobicContact CD2-CG 4.04Å; F401-E405 HydrophobicContact CE2-CG 3.98Å; F401-E405 WeakPolarHBondContact O-CG 3.35Å; F401-E405 PolarHBondContact O-N 3.08Å; E405-V407 VanDerWaalsContact C-N 3.31Å; E405-V407 PolarHBondContact O-N 3.07Å; E405-Q408 WeakPolarHBondContact O-CA 3.5Å; E405-Q408 VanDerWaalsContact O-CB 3.25Å; E405-Q408 WeakPolarHBondContact O-CB 3.33Å; E405-Q408 PolarHBondContact O-N 2.59Å; E405-Q408 VanDerWaalsContact O-N 3.09Å; E405-E409 WeakPolarHBondContact O-CG 3.24Å; E405-E409 PolarHBondContact O-N 3.48Å
406	K	98.8	Very high	97.2	Very high	109 Å²	109	66.6 Å²	66.6	47%	0.474	31%	0.31	S	S	.	.	H	α-helix	trans	-62.9	-36.6	174.5	-174.4	172	175.3	-180	0	112.8	S402 R403 V404 Q408 E409 E410	S402-K406 WeakPolarHBondContact O-CB 3.39Å; S402-K406 PolarHBondContact O-N 3.49Å; R403-K406 PolarHBondContact O-N 2.91Å; V404-K406 VanDerWaalsContact C-N 3.33Å; V404-K406 PolarHBondContact O-N 3.11Å; K406-Q408 VanDerWaalsContact C-N 3.31Å; K406-E409 PolarHBondContact O-N 2.64Å; K406-E410 WeakPolarHBondContact CE-OE1 3.31Å; K406-E410 WeakPolarHBondContact O-CB 3.45Å; K406-E410 VanDerWaalsContact O-CG 3.27Å; K406-E410 WeakPolarHBondContact O-CG 3.27Å; K406-E410 PolarHBondContact O-N 3.48Å
407	V	98.6	Very high	97.1	Very high	2 Å²	2	68.1 Å²	68.1	1%	0.012	32%	0.318	C	S	.	.	H	α-helix	trans	-67.3	-33.7	174.4	171.2	0	0	0	0	111	N255 Q279 A280 R403 V404 E405 E410 N411	N255-V407 HydrophobicContact CB-CG1 4.35Å; Q279-V407 HydrophobicContact CB-CG1 4.3Å; A280-V407 HydrophobicContact CB-CB 4.07Å; A280-V407 HydrophobicContact CB-CG1 4.14Å; A280-V407 HydrophobicContact CB-CG2 3.97Å; R403-V407 WeakPolarHBondContact O-CG2 3.33Å; R403-V407 PolarHBondContact O-N 3.14Å; V404-V407 PolarHBondContact O-N 2.96Å; E405-V407 VanDerWaalsContact C-N 3.31Å; E405-V407 PolarHBondContact O-N 3.07Å; V407-E410 PolarHBondContact O-N 3.02Å; V407-N411 WeakPolarHBondContact CG1-ND2 3.48Å; V407-N411 WeakPolarHBondContact O-CB 3.48Å; V407-N411 PolarHBondContact O-N 3.18Å; V407-N411 VanDerWaalsContact O-N 3.16Å; V407-N411 PolarHBondContact O-ND2 3.04Å
408	Q	98.1	Very high	97	Very high	59 Å²	59	74.3 Å²	74.3	28%	0.276	35%	0.346	S	S	.	.	H	α-helix	trans	-61.1	-48.1	170.7	172.1	-174	12.2	0	0	111.4	Y208 L257 V404 E405 K406 E410 N411 E412	Y208-Q408 PolarHBondContact OH-NE2 3.31Å; Y208-Q408 VanDerWaalsContact OH-NE2 3.08Å; Y208-Q408 PolarHBondContact OH-OE1 2.56Å; L257-Q408 PolarHBondContact O-NE2 3.31Å; L257-Q408 VanDerWaalsContact O-NE2 3.15Å; L257-Q408 PolarHBondContact O-OE1 3.4Å; V404-Q408 PolarHBondContact O-N 2.87Å; E405-Q408 WeakPolarHBondContact O-CA 3.5Å; E405-Q408 VanDerWaalsContact O-CB 3.25Å; E405-Q408 WeakPolarHBondContact O-CB 3.33Å; E405-Q408 PolarHBondContact O-N 2.59Å; E405-Q408 VanDerWaalsContact O-N 3.09Å; K406-Q408 VanDerWaalsContact C-N 3.31Å; Q408-E410 VanDerWaalsContact C-N 3.35Å; Q408-E410 PolarHBondContact O-N 3.03Å; Q408-N411 CarbonylContact O-C 3.57Å; Q408-N411 WeakPolarHBondContact O-CA 3.44Å; Q408-N411 PolarHBondContact O-N 3.03Å; Q408-E412 PolarHBondContact O-N 2.7Å
409	E	97.5	Very high	96.8	Very high	131 Å²	131	76.4 Å²	76.4	61%	0.612	36%	0.358	S	S	*	.	H	α-helix	trans	-58.7	-45	176.5	-66.2	169.6	179.3	0	0	111.6	E405 K406 N411 E412	E405-E409 WeakPolarHBondContact O-CG 3.24Å; E405-E409 PolarHBondContact O-N 3.48Å; K406-E409 PolarHBondContact O-N 2.64Å; E409-N411 PolarHBondContact O-N 2.89Å; E409-N411 VanDerWaalsContact O-N 3.12Å; E409-E412 WeakPolarHBondContact O-CB 3.34Å; E409-E412 PolarHBondContact O-N 2.71Å
410	E	97.3	Very high	96.4	Very high	103 Å²	103	81 Å²	81	48%	0.481	38%	0.38	S	S	.	.	H	α-helix	trans	-60.3	-22	175.3	-71.7	166.9	-168.2	0	0	112.5	R403 K406 V407 Q408	R403-E410 IonicContact CZ-OE1 3.85Å; R403-E410 IonicContact NH1-OE1 3.64Å; R403-E410 PolarHBondContact NH1-OE1 3.19Å; R403-E410 IonicContact NH1-OE2 3.92Å; R403-E410 IonicContact NH2-OE1 3.98Å; R403-E410 IonicContact NH2-OE2 3.08Å; K406-E410 WeakPolarHBondContact CE-OE1 3.31Å; K406-E410 WeakPolarHBondContact O-CB 3.45Å; K406-E410 VanDerWaalsContact O-CG 3.27Å; K406-E410 WeakPolarHBondContact O-CG 3.27Å; K406-E410 PolarHBondContact O-N 3.48Å; V407-E410 PolarHBondContact O-N 3.02Å; Q408-E410 VanDerWaalsContact C-N 3.35Å; Q408-E410 PolarHBondContact O-N 3.03Å
411	N	94.4	Very high	95.9	Very high	9 Å²	9	81.5 Å²	81.5	5%	0.048	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.7	8.7	-178.8	-74.4	-67.6	0	0	0	114.3	R256 V407 Q408 E409 W413 R414	R256-N411 HydrophobicContact CG-CB 4.2Å; V407-N411 WeakPolarHBondContact CG1-ND2 3.48Å; V407-N411 WeakPolarHBondContact O-CB 3.48Å; V407-N411 PolarHBondContact O-N 3.18Å; V407-N411 VanDerWaalsContact O-N 3.16Å; V407-N411 PolarHBondContact O-ND2 3.04Å; Q408-N411 CarbonylContact O-C 3.57Å; Q408-N411 WeakPolarHBondContact O-CA 3.44Å; Q408-N411 PolarHBondContact O-N 3.03Å; E409-N411 PolarHBondContact O-N 2.89Å; E409-N411 VanDerWaalsContact O-N 3.12Å; N411-W413 PolarHBondContact O-N 2.71Å; N411-W413 VanDerWaalsContact O-N 3.09Å; N411-R414 WeakPolarHBondContact O-CB 3.44Å; N411-R414 PolarHBondContact O-N 3.43Å; N411-R414 WeakPolarHBondContact OD1-CD 3.23Å; N411-R414 PolarHBondContact OD1-NE 3.22Å; N411-R414 PolarHBondContact OD1-NH1 3.2Å
412	E	88	Confident	95	Very high	150 Å²	150	83.7 Å²	83.7	70%	0.701	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-33.9	-174.6	-171.1	178.6	-176	0	0	112.9	Q408 E409 R414	Q408-E412 PolarHBondContact O-N 2.7Å; E409-E412 WeakPolarHBondContact O-CB 3.34Å; E409-E412 PolarHBondContact O-N 2.71Å; E412-R414 VanDerWaalsContact C-N 3.28Å; E412-R414 PolarHBondContact O-N 3.12Å
413	W	90.2	Very high	93.7	Very high	236 Å²	236	84.7 Å²	84.7	89%	0.894	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-11.3	178.9	-53.3	100.6	0	0	0	114.6	N411	N411-W413 PolarHBondContact O-N 2.71Å; N411-W413 VanDerWaalsContact O-N 3.09Å
414	R	95.1	Very high	92	Very high	137 Å²	137	87.1 Å²	87.1	52%	0.517	41%	0.413	S	S	.	.	S	Bend	trans	-83.8	127.1	-179.8	-65.4	-169.1	177.3	165.5	-1.9	110.2	R256 N411 E412	R256-R414 HydrophobicContact CG-CB 4.38Å; N411-R414 WeakPolarHBondContact O-CB 3.44Å; N411-R414 PolarHBondContact O-N 3.43Å; N411-R414 WeakPolarHBondContact OD1-CD 3.23Å; N411-R414 PolarHBondContact OD1-NE 3.22Å; N411-R414 PolarHBondContact OD1-NH1 3.2Å; E412-R414 VanDerWaalsContact C-N 3.28Å; E412-R414 PolarHBondContact O-N 3.12Å
415	S	97	Very high	90.3	Very high	99 Å²	99	93.3 Å²	93.3	69%	0.692	44%	0.442	S	S	*	.	P	Polyproline II helix	trans	-60	148.6	170.7	-57.9	0	0	0	0	111.4
416	P	97.9	Very high	88.9	Confident	57 Å²	57	92.8 Å²	92.8	37%	0.37	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-52.3	143.5	170.3	-25.9	34.7	0	0	0	113
417	L	96.5	Very high	87.1	Confident	44 Å²	44	93.4 Å²	93.4	23%	0.23	46%	0.458	C	S	.	.	P	Polyproline II helix	trans	-70.2	132	172.3	-68.8	179.5	0	0	0	110.5	L201 R205 K249 A252 E253	L201-L417 HydrophobicContact CD1-CB 3.7Å; R205-L417 PolarHBondContact NH1-O 3.12Å; K249-L417 HydrophobicContact CB-CD1 4.36Å; K249-L417 HydrophobicContact CD-CD1 4.23Å; K249-L417 WeakPolarHBondContact O-CD1 3.23Å; A252-L417 HydrophobicContact CB-CD1 3.86Å; E253-L417 HydrophobicContact CB-CD1 4.19Å; E253-L417 PolarHBondContact OE2-N 3.42Å; E253-L417 VanDerWaalsContact OE2-N 3.1Å
418	E	95.9	Very high	85.6	Confident	132 Å²	132	94.7 Å²	94.7	62%	0.617	47%	0.467	S	S	*	.			trans	-113.1	7.8	-178.1	-66.7	-66.9	116.9	0	0	112.2	R205 K420	R205-E418 IonicContact CZ-OE1 3.82Å; R205-E418 IonicContact NH1-OE1 2.87Å; R205-E418 IonicContact NH2-OE1 2.74Å; R205-E418 PolarHBondContact NH2-OE1 3.36Å; E418-K420 PolarHBondContact O-N 2.94Å
419	D	94.6	Very high	84.4	Confident	64 Å²	64	97.6 Å²	97.6	34%	0.342	49%	0.494	S	S	.	.	P	Polyproline II helix	trans	-53.5	128	175.1	-60.8	-113.1	0	0	0	110	L201 K249	L201-D419 HydrophobicContact CD1-CB 4.36Å; K249-D419 VanDerWaalsContact CE-OD1 3.29Å; K249-D419 WeakPolarHBondContact CE-OD1 3.47Å; K249-D419 HydrophobicContact CG-CB 4.3Å; K249-D419 IonicContact NZ-OD1 2.62Å; K249-D419 PolarHBondContact NZ-OD1 3.25Å; K249-D419 IonicContact NZ-OD2 3.97Å
420	K	90.4	Very high	83.9	Confident	183 Å²	183	95.3 Å²	95.3	80%	0.796	49%	0.491	S	S	*	.	P	Polyproline II helix	trans	-97.3	142.4	177.2	-65.4	-172.6	178.8	-175.7	0	110.4	E418	E418-K420 PolarHBondContact O-N 2.94Å
421	F	88.5	Confident	83.1	Confident	12 Å²	12	93.3 Å²	93.3	5%	0.053	48%	0.479	C	S	.	.	P	Polyproline II helix	trans	-65.7	137.2	166.6	-165.5	-91.7	0	0	0	109.1	N199 P224 W225 F246 D423 Q425 L426	N199-F421 HydrophobicContact CB-CB 3.69Å; N199-F421 HydrophobicContact CB-CD1 4.17Å; N199-F421 HydrophobicContact CB-CD2 4.01Å; N199-F421 HydrophobicContact CB-CG 3.66Å; P224-F421 HydrophobicContact CB-CE1 3.93Å; P224-F421 HydrophobicContact CB-CE2 3.68Å; P224-F421 HydrophobicContact CB-CZ 3.23Å; P224-F421 HydrophobicContact CG-CZ 4.29Å; W225-F421 HydrophobicContact CB-CE2 4.35Å; F246-F421 HydrophobicContact CB-CD2 4.05Å; F246-F421 HydrophobicContact CB-CE2 4.31Å; F246-F421 AromaticContact CD1-CD2 3.55Å; F246-F421 HydrophobicContact CD1-CD2 3.55Å; F246-F421 HydrophobicContact CD1-CE2 4.21Å; F246-F421 HydrophobicContact CD2-CB 4.26Å; F246-F421 HydrophobicContact CD2-CD2 4.04Å; F246-F421 HydrophobicContact CE1-CB 4.41Å; F246-F421 AromaticContact CE1-CD2 3.93Å; F246-F421 HydrophobicContact CE1-CD2 3.93Å; F246-F421 HydrophobicContact CE2-CB 3.97Å; F246-F421 HydrophobicContact CE2-CD2 4.4Å; F246-F421 AromaticContact CG-CD2 3.6Å; F246-F421 HydrophobicContact CG-CD2 3.6Å; F246-F421 HydrophobicContact CG-CE2 4.29Å; F246-F421 HydrophobicContact CZ-CB 4.04Å; F246-F421 HydrophobicContact CZ-CD2 4.34Å; F421-D423 PolarHBondContact O-N 3.45Å; F421-Q425 HydrophobicContact CE1-CB 4.15Å; F421-L426 HydrophobicContact CD1-CD1 3.86Å; F421-L426 HydrophobicContact CD1-CD2 4.11Å; F421-L426 HydrophobicContact CD1-CG 3.95Å; F421-L426 HydrophobicContact CE1-CD1 4.2Å; F421-L426 HydrophobicContact CE1-CD2 3.62Å; F421-L426 HydrophobicContact CE1-CG 3.77Å; F421-L426 HydrophobicContact CZ-CD2 4.46Å
422	P	81.6	Confident	82.5	Confident	46 Å²	46	97.8 Å²	97.8	30%	0.299	51%	0.511	S	S	.	.			trans	-69	100.4	176.6	27.2	-34.1	0	0	0	110.3	E424 Q425	P422-E424 PolarHBondContact O-N 3.39Å; P422-E424 VanDerWaalsContact O-N 3.12Å; P422-Q425 HydrophobicContact CB-CG 4.18Å; P422-Q425 HydrophobicContact CG-CG 3.95Å; P422-Q425 WeakPolarHBondContact O-CB 3.34Å; P422-Q425 PolarHBondContact O-N 3.3Å
423	D	69.8	Low	82	Confident	79 Å²	79	92.6 Å²	92.6	42%	0.422	49%	0.488	S	S	.	.	G	3₁₀ helix	trans	-58.7	-25	-176.5	-73.4	-29.1	0	0	0	112.8	F421 Q425 L426	F421-D423 PolarHBondContact O-N 3.45Å; D423-Q425 PolarHBondContact O-N 3.25Å; D423-Q425 VanDerWaalsContact O-N 3.14Å; D423-L426 WeakPolarHBondContact O-CB 3.5Å; D423-L426 PolarHBondContact O-N 3.48Å
424	E	63.6	Low	81.3	Confident	143 Å²	143	87.1 Å²	87.1	67%	0.668	48%	0.476	S	S	*	.	G	3₁₀ helix	trans	-63.4	-18.3	176.3	-57.3	84.4	-178.9	0	0	113.4	P422 L426	P422-E424 PolarHBondContact O-N 3.39Å; P422-E424 VanDerWaalsContact O-N 3.12Å; E424-L426 VanDerWaalsContact C-N 3.32Å
425	Q	64.1	Low	80.1	Confident	131 Å²	131	84.1 Å²	84.1	61%	0.612	48%	0.476	S	S	*	.	G	3₁₀ helix	trans	-85.1	-6.5	176.9	-59.9	-176.6	4.5	0	0	112.8	F421 P422 D423	F421-Q425 HydrophobicContact CE1-CB 4.15Å; P422-Q425 HydrophobicContact CB-CG 4.18Å; P422-Q425 HydrophobicContact CG-CG 3.95Å; P422-Q425 WeakPolarHBondContact O-CB 3.34Å; P422-Q425 PolarHBondContact O-N 3.3Å; D423-Q425 PolarHBondContact O-N 3.25Å; D423-Q425 VanDerWaalsContact O-N 3.14Å
426	L	69.2	Low	78.5	Confident	23 Å²	23	86.3 Å²	86.3	12%	0.12	47%	0.469	C	S	.	.			trans	-100.8	121.3	-177.6	-58.8	173.9	0	0	0	110.3	P224 Y237 F421 D423 E424 S428	P224-L426 HydrophobicContact CB-CD2 4.25Å; P224-L426 HydrophobicContact CG-CD2 3.75Å; Y237-L426 HydrophobicContact CE1-CD2 4.21Å; Y237-L426 WeakPolarHBondContact OH-CD2 3.48Å; F421-L426 HydrophobicContact CD1-CD1 3.86Å; F421-L426 HydrophobicContact CD1-CD2 4.11Å; F421-L426 HydrophobicContact CD1-CG 3.95Å; F421-L426 HydrophobicContact CE1-CD1 4.2Å; F421-L426 HydrophobicContact CE1-CD2 3.62Å; F421-L426 HydrophobicContact CE1-CG 3.77Å; F421-L426 HydrophobicContact CZ-CD2 4.46Å; D423-L426 WeakPolarHBondContact O-CB 3.5Å; D423-L426 PolarHBondContact O-N 3.48Å; E424-L426 VanDerWaalsContact C-N 3.32Å; L426-S428 VanDerWaalsContact C-N 3.33Å; L426-S428 PolarHBondContact O-N 3.5Å
427	S	60.6	Low	76.7	Confident	121 Å²	121	87.8 Å²	87.8	85%	0.846	47%	0.473	S	S	*	.			trans	-90	11.7	-179.1	65.4	0	0	0	0	114.2
428	S	67	Low	74.9	Confident	30 Å²	30	95.4 Å²	95.4	21%	0.21	50%	0.499	C	S	.	.			trans	-83.5	136.8	-171.6	-180	0	0	0	0	113.4	D146 L426 C430	D146-S428 PolarHBondContact O-OG 3.47Å; L426-S428 VanDerWaalsContact C-N 3.33Å; L426-S428 PolarHBondContact O-N 3.5Å; S428-C430 VanDerWaalsContact C-N 3.31Å; S428-C430 PolarHBondContact OG-N 3.4Å
429	S	73.6	Confident	73	Confident	120 Å²	120	95.2 Å²	95.2	84%	0.839	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-5.7	174.1	56.4	0	0	0	0	114.2
430	C	86	Confident	71.2	Confident	82 Å²	82	101 Å²	101	55%	0.554	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	8.2	-176.7	-64.3	0	0	0	0	113.9	D146 S428	D146-C430 WeakPolarHBondContact O-CB 3.42Å; S428-C430 VanDerWaalsContact C-N 3.31Å; S428-C430 PolarHBondContact OG-N 3.4Å
431	R	81.9	Confident	69.5	Low	62 Å²	62	98.5 Å²	98.5	23%	0.234	51%	0.506	C	S	.	.			trans	-122.8	146.8	-179.9	-56.5	-174	-169.1	-151.5	11.5	111.2	D146 D198 N199	D146-R431 IonicContact OD1-CZ 3.66Å; D146-R431 IonicContact OD1-NE 3.72Å; D146-R431 IonicContact OD1-NH2 3.5Å; D146-R431 PolarHBondContact OD1-NH2 2.89Å; D198-R431 PolarHBondContact O-NH1 3.2Å; D198-R431 IonicContact OD1-CZ 3.57Å; D198-R431 IonicContact OD1-NE 2.7Å; D198-R431 PolarHBondContact OD1-NE 3.27Å; D198-R431 IonicContact OD1-NH1 2.82Å; D198-R431 IonicContact OD1-NH2 3.82Å; D198-R431 PolarHBondContact OD1-NH2 3.4Å; D198-R431 IonicContact OD2-CZ 2.83Å; D198-R431 VanDerWaalsContact OD2-CZ 3.24Å; D198-R431 IonicContact OD2-NE 3.23Å; D198-R431 PolarHBondContact OD2-NE 3.36Å; D198-R431 IonicContact OD2-NH1 3.81Å; D198-R431 PolarHBondContact OD2-NH1 3.27Å; D198-R431 IonicContact OD2-NH2 2.71Å; N199-R431 PolarHBondContact ND2-NH1 3.18Å; N199-R431 PolarHBondContact ND2-NH2 3.2Å
432	S	81.1	Confident	67.8	Low	102 Å²	102	101.2 Å²	101.2	71%	0.713	53%	0.527	S	S	*	.			trans	-110.4	121.2	175.6	-68.1	0	0	0	0	110.4	L434	S432-L434 PolarHBondContact O-N 3.18Å
433	D	77.1	Confident	66.4	Low	41 Å²	41	104.6 Å²	104.6	22%	0.219	54%	0.542	C	S	.	.			trans	-77.1	99.3	170.9	178.3	-2	0	0	0	110	S435 R436	D433-S435 PolarHBondContact O-N 3.02Å; D433-S435 WeakPolarHBondContact OD1-CA 3.47Å; D433-S435 VanDerWaalsContact OD1-CB 3.23Å; D433-S435 WeakPolarHBondContact OD1-CB 3.23Å; D433-S435 PolarHBondContact OD1-N 3.22Å; D433-S435 PolarHBondContact OD1-OG 2.77Å; D433-S435 PolarHBondContact OD2-OG 3.26Å; D433-R436 PolarHBondContact O-N 3.5Å; D433-R436 PolarHBondContact OD1-N 3.06Å; D433-R436 WeakPolarHBondContact OD2-CD 3.45Å; D433-R436 VanDerWaalsContact OD2-CG 3.23Å; D433-R436 WeakPolarHBondContact OD2-CG 3.21Å; D433-R436 IonicContact OD2-CZ 3.39Å; D433-R436 IonicContact OD2-NE 3.49Å; D433-R436 PolarHBondContact OD2-NE 3.41Å
434	L	75.7	Confident	65.5	Low	121 Å²	121	105.1 Å²	105.1	63%	0.634	55%	0.548	S	S	*	.	H	α-helix	trans	-72.1	-17.1	-180	-54.7	-178.1	0	0	0	112.8	S432 R436 L437 R438	S432-L434 PolarHBondContact O-N 3.18Å; L434-R436 VanDerWaalsContact C-N 3.3Å; L434-R436 PolarHBondContact O-N 3.42Å; L434-L437 HydrophobicContact CD2-CD1 3.48Å; L434-L437 VanDerWaalsContact CD2-CD1 3.48Å; L434-L437 WeakPolarHBondContact O-CB 3.32Å; L434-L437 PolarHBondContact O-N 3.27Å; L434-R438 PolarHBondContact O-N 3.4Å
435	S	70.9	Confident	64.7	Low	74 Å²	74	102.4 Å²	102.4	52%	0.517	55%	0.545	S	S	.	.	H	α-helix	trans	-66.5	-36.4	176.9	79	0	0	0	0	111.1	D433 L437 R438 Q439	D433-S435 PolarHBondContact O-N 3.02Å; D433-S435 WeakPolarHBondContact OD1-CA 3.47Å; D433-S435 VanDerWaalsContact OD1-CB 3.23Å; D433-S435 WeakPolarHBondContact OD1-CB 3.23Å; D433-S435 PolarHBondContact OD1-N 3.22Å; D433-S435 PolarHBondContact OD1-OG 2.77Å; D433-S435 PolarHBondContact OD2-OG 3.26Å; S435-L437 PolarHBondContact O-N 2.98Å; S435-R438 PolarHBondContact O-N 3.12Å; S435-Q439 PolarHBondContact O-N 3.39Å
436	R	62	Low	63.8	Low	145 Å²	145	102.5 Å²	102.5	55%	0.547	55%	0.55	S	S	.	.	H	α-helix	trans	-70.2	-27.3	174.3	-70.3	176.5	-166.6	-150.1	-3.4	113.5	D433 L434 R438 Q439 R440	D433-R436 PolarHBondContact O-N 3.5Å; D433-R436 PolarHBondContact OD1-N 3.06Å; D433-R436 WeakPolarHBondContact OD2-CD 3.45Å; D433-R436 VanDerWaalsContact OD2-CG 3.23Å; D433-R436 WeakPolarHBondContact OD2-CG 3.21Å; D433-R436 IonicContact OD2-CZ 3.39Å; D433-R436 IonicContact OD2-NE 3.49Å; D433-R436 PolarHBondContact OD2-NE 3.41Å; L434-R436 VanDerWaalsContact C-N 3.3Å; L434-R436 PolarHBondContact O-N 3.42Å; R436-R438 VanDerWaalsContact C-N 3.3Å; R436-Q439 PolarHBondContact O-N 2.98Å; R436-R440 PolarHBondContact O-N 3.38Å
437	L	61.5	Low	62.6	Low	89 Å²	89	109.2 Å²	109.2	47%	0.466	58%	0.58	S	S	.	*	H	α-helix	trans	-65.1	-37.5	173.7	-68.3	176.8	0	0	0	111.3	L434 S435 R440 Q441	L434-L437 HydrophobicContact CD2-CD1 3.48Å; L434-L437 VanDerWaalsContact CD2-CD1 3.48Å; L434-L437 WeakPolarHBondContact O-CB 3.32Å; L434-L437 PolarHBondContact O-N 3.27Å; S435-L437 PolarHBondContact O-N 2.98Å; L437-R440 PolarHBondContact O-N 3.3Å; L437-Q441 WeakPolarHBondContact O-CG 3.49Å; L437-Q441 PolarHBondContact O-N 3.38Å
438	R	57.4	Low	61.6	Low	204 Å²	204	112.4 Å²	112.4	77%	0.77	58%	0.579	S	S	*	*	H	α-helix	trans	-67.9	-39.6	177	-143.4	179.9	-162.2	-167.6	4.7	112	L434 S435 R436 Q441 S442	L434-R438 PolarHBondContact O-N 3.4Å; S435-R438 PolarHBondContact O-N 3.12Å; R436-R438 VanDerWaalsContact C-N 3.3Å; R438-Q441 PolarHBondContact O-N 3.03Å; R438-S442 WeakPolarHBondContact O-CB 3.35Å; R438-S442 PolarHBondContact O-N 3.04Å
439	Q	57	Low	60.4	Low	128 Å²	128	118.7 Å²	118.7	60%	0.598	61%	0.609	S	S	*	*	H	α-helix	trans	-63	-42.5	173.4	-79	178.9	-13.9	0	0	112.2	S435 R436 S442 L443	S435-Q439 PolarHBondContact O-N 3.39Å; R436-Q439 PolarHBondContact O-N 2.98Å; Q439-S442 PolarHBondContact O-N 3.13Å; Q439-L443 WeakPolarHBondContact O-CB 3.5Å; Q439-L443 WeakPolarHBondContact O-CD1 3.48Å; Q439-L443 WeakPolarHBondContact O-CG 3.5Å; Q439-L443 PolarHBondContact O-N 3.03Å
440	R	56.8	Low	58.5	Low	184 Å²	184	118.8 Å²	118.8	69%	0.694	61%	0.605	S	S	*	*	H	α-helix	trans	-64.3	-41.5	175.4	-78.1	-177.5	177.5	178.5	-0.1	112.4	R436 L437 L443 T444	R436-R440 PolarHBondContact O-N 3.38Å; L437-R440 PolarHBondContact O-N 3.3Å; R440-L443 PolarHBondContact O-N 2.92Å; R440-T444 WeakPolarHBondContact O-CG2 3.41Å; R440-T444 PolarHBondContact O-N 3.15Å; R440-T444 PolarHBondContact O-OG1 3.48Å; R440-T444 VanDerWaalsContact O-OG1 3.12Å
441	Q	55.3	Low	56	Low	131 Å²	131	123.3 Å²	123.3	61%	0.612	62%	0.618	S	S	*	*	H	α-helix	trans	-64.3	-42.3	176.1	-76.7	179.3	-8.8	0	0	112	L437 R438 L443 T444 S445	L437-Q441 WeakPolarHBondContact O-CG 3.49Å; L437-Q441 PolarHBondContact O-N 3.38Å; R438-Q441 PolarHBondContact O-N 3.03Å; Q441-L443 PolarHBondContact O-N 3.09Å; Q441-T444 WeakPolarHBondContact CA-OG1 3.46Å; Q441-T444 PolarHBondContact O-N 3.42Å; Q441-T444 PolarHBondContact O-OG1 3.14Å; Q441-S445 PolarHBondContact O-N 3.05Å; Q441-S445 PolarHBondContact O-OG 3.48Å; Q441-S445 VanDerWaalsContact O-OG 3.06Å
442	S	51.3	Low	53.8	Low	69 Å²	69	127.9 Å²	127.9	48%	0.483	65%	0.646	S	S	.	*	H	α-helix	trans	-59.8	-45.2	174.3	-173.5	0	0	0	0	112.4	R438 Q439 T444 S445 D446	R438-S442 WeakPolarHBondContact O-CB 3.35Å; R438-S442 PolarHBondContact O-N 3.04Å; Q439-S442 PolarHBondContact O-N 3.13Å; S442-T444 VanDerWaalsContact C-N 3.31Å; S442-T444 PolarHBondContact O-N 3.36Å; S442-S445 PolarHBondContact O-N 3.31Å; S442-D446 PolarHBondContact O-N 3.44Å
443	L	52.7	Low	51.4	Low	117 Å²	117	128.6 Å²	128.6	61%	0.613	65%	0.648	S	S	*	*	H	α-helix	trans	-65.4	-32.8	177.9	-73.8	162.3	0	0	0	112.5	Q439 R440 Q441	Q439-L443 WeakPolarHBondContact O-CB 3.5Å; Q439-L443 WeakPolarHBondContact O-CD1 3.48Å; Q439-L443 WeakPolarHBondContact O-CG 3.5Å; Q439-L443 PolarHBondContact O-N 3.03Å; R440-L443 PolarHBondContact O-N 2.92Å; Q441-L443 PolarHBondContact O-N 3.09Å
444	T	51	Low	49.6	Very low	90 Å²	90	132.2 Å²	132.2	55%	0.552	67%	0.671	S	S	*	*	H	α-helix	trans	-77.3	-21.3	174.6	53.1	0	0	0	0	113.8	R440 Q441 S442	R440-T444 WeakPolarHBondContact O-CG2 3.41Å; R440-T444 PolarHBondContact O-N 3.15Å; R440-T444 PolarHBondContact O-OG1 3.48Å; R440-T444 VanDerWaalsContact O-OG1 3.12Å; Q441-T444 WeakPolarHBondContact CA-OG1 3.46Å; Q441-T444 PolarHBondContact O-N 3.42Å; Q441-T444 PolarHBondContact O-OG1 3.14Å; S442-T444 VanDerWaalsContact C-N 3.31Å; S442-T444 PolarHBondContact O-N 3.36Å
445	S	46.8	Very low	47.6	Very low	87 Å²	87	134.5 Å²	134.5	61%	0.608	68%	0.678	S	S	*	*	H	α-helix	trans	-77.2	-31.8	174.9	-62.2	0	0	0	0	112.4	Q441 S442 Q447	Q441-S445 PolarHBondContact O-N 3.05Å; Q441-S445 PolarHBondContact O-OG 3.48Å; Q441-S445 VanDerWaalsContact O-OG 3.06Å; S442-S445 PolarHBondContact O-N 3.31Å; S445-Q447 VanDerWaalsContact C-N 3.32Å
446	D	44.9	Very low	45.5	Very low	133 Å²	133	142.8 Å²	142.8	71%	0.711	70%	0.698	S	S	*	*	H	α-helix	trans	-78.1	-13.2	176	-76.5	-27.8	0	0	0	113.8	S442	S442-D446 PolarHBondContact O-N 3.44Å
447	Q	43.3	Very low	44	Very low	163 Å²	163	141.4 Å²	141.4	76%	0.762	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.8	6.8	176.1	-85.9	-173.2	-20.5	0	0	114.8	S445	S445-Q447 VanDerWaalsContact C-N 3.32Å
448	K	40.6	Very low	42.7	Very low	188 Å²	188	142.7 Å²	142.7	82%	0.817	72%	0.72	S	S	*	*	S	Bend	trans	-110.8	34.3	-178.7	-140.2	179.5	-174.1	-177.2	0	114.4
449	L	41.3	Very low	41.3	Very low	162 Å²	162	143 Å²	143	85%	0.848	73%	0.727	S	S	*	*	S	Bend	trans	-145.4	48.1	174.7	-119.4	151	0	0	0	112.7
450	T	34.7	Very low	39.9	Very low	122 Å²	122	145 Å²	145	75%	0.748	74%	0.741	S	S	*	*	S	Bend	trans	-148.5	122.9	160.2	24.9	0	0	0	0	111.2
451	E	32.8	Very low	38.5	Very low	178 Å²	178	141.8 Å²	141.8	83%	0.832	75%	0.747	S	S	*	*			trans	78.2	103.3	156.1	-60.1	-173.3	171.4	0	0	119.2	P453	E451-P453 WeakPolarHBondContact O-CD 3.45Å
452	I	35	Very low	37.3	Very low	158 Å²	158	139.8 Å²	139.8	81%	0.81	75%	0.753	S	S	*	*			trans	-79.8	119.2	149.1	-62	171.1	0	0	0	107.1
453	P	32.6	Very low	36.3	Very low	117 Å²	117	146.4 Å²	146.4	76%	0.76	77%	0.773	S	S	*	*			trans	-89.6	107.3	164.1	-3.5	23.3	0	0	0	109.3	E451 H455	E451-P453 WeakPolarHBondContact O-CD 3.45Å; P453-H455 PolarHBondContact O-N 3.37Å
454	T	38.8	Very low	35.1	Very low	116 Å²	116	148.9 Å²	148.9	71%	0.712	79%	0.785	S	S	*	*			trans	-64.2	115.1	159	42.3	0	0	0	0	109.5
455	H	33.2	Very low	34	Very low	170 Å²	170	150.3 Å²	150.3	79%	0.787	80%	0.799	S	S	*	*			trans	151.3	100.9	142	-88	-73.1	0	0	0	110.5	P453	P453-H455 PolarHBondContact O-N 3.37Å
456	W	26.3	Very low	33	Very low	247 Å²	247	154.5 Å²	154.5	94%	0.936	81%	0.814	S	S	*	*			trans	-137.4	103.2	155.7	-107	85.8	0	0	0	108.3
457	T	31.3	Very low	32.2	Very low	117 Å²	117	153.9 Å²	153.9	72%	0.718	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-83.2	124	167.6	42	0	0	0	0	109.1
458	P	33.3	Very low	31.5	Very low	115 Å²	115	154.5 Å²	154.5	75%	0.747	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-84	126	173.7	8.2	8	0	0	0	110.4	L460	P458-L460 PolarHBondContact O-N 3.46Å
459	K	28.9	Very low	31	Very low	210 Å²	210	151.3 Å²	151.3	91%	0.913	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-73.4	118.8	163.9	-84.5	-178.8	175.4	177	0	109
460	L	27.4	Very low	30.4	Very low	171 Å²	171	149.1 Å²	149.1	90%	0.895	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-67.5	130.5	164.9	-93	95.5	0	0	0	110.2	P458	P458-L460 PolarHBondContact O-N 3.46Å
461	S	27.9	Very low	31.1	Very low	117 Å²	117	148.7 Å²	148.7	82%	0.818	82%	0.822	S	S	*	*			trans	-123.4	118	150.2	62.9	0	0	0	0	108.5
462	A	29.6	Very low	30.9	Very low	89 Å²	89	148.4 Å²	148.4	74%	0.736	83%	0.826	S	S	*	*			trans	-67.3	138.6	178.6	0	0	0	0	0	112.2
463	K	30.4	Very low	30.8	Very low	208 Å²	208	149.8 Å²	149.8	90%	0.904	83%	0.831	S	S	*	*			trans	-165.9	136.8	130.8	-105	169.2	-173.7	-176.9	0	110.5
464	L	27.6	Very low	30.8	Very low	168 Å²	168	148.9 Å²	148.9	88%	0.88	83%	0.833	S	S	*	*			trans	-58.3	143.1	-173.3	-71.4	80.9	0	0	0	114.2
465	S	26.8	Very low	30.8	Very low	121 Å²	121	148.5 Å²	148.5	85%	0.846	83%	0.833	S	S	*	*				-171.5	125	99.1	59.3	0	0	0	0	111.1
466	L	27.2	Very low	30.7	Very low	174 Å²	174	146.9 Å²	146.9	91%	0.911	84%	0.835	S	S	*	*			trans	-97.2	135.8	167.1	-95.6	150.3	0	0	0	107.6
467	S	27.5	Very low	30.9	Very low	121 Å²	121	144.1 Å²	144.1	85%	0.846	83%	0.83	S	S	*	*			trans	-138.1	123.5	157.1	174	0	0	0	0	107.8
468	E	29.6	Very low	30.8	Very low	176 Å²	176	144.1 Å²	144.1	82%	0.822	83%	0.83	S	S	*	*			trans	-71.6	147.4	-169	-60.8	170.4	136.3	0	0	113.6
469	S	28.1	Very low	30.7	Very low	120 Å²	120	144.5 Å²	144.5	84%	0.839	83%	0.83	S	S	*	*				-169.8	127.9	128.7	40.5	0	0	0	0	110.5
470	S	30.6	Very low	30.9	Very low	117 Å²	117	140 Å²	140	82%	0.818	82%	0.82	S	S	*	*			trans	-105.6	-173.4	166.8	-63.9	0	0	0	0	108.6
471	P	47.4	Very low	31.1	Very low	112 Å²	112	137 Å²	137	73%	0.727	81%	0.808	S	S	*	*				-121.1	172.4	-60.1	33.9	-19.1	0	0	0	110
472	N	30.3	Very low	31.3	Very low	172 Å²	172	137.1 Å²	137.1	92%	0.92	80%	0.804	S	S	*	*			trans	-157.1	123.6	149.4	-102.3	-22	0	0	0	112.6
473	M	33.1	Very low	31.5	Very low	188 Å²	188	142.1 Å²	142.1	93%	0.926	81%	0.81	S	S	*	*			trans	-93.1	134.5	169.9	-79.5	-100.3	-76.2	0	0	109.1
474	A	31.5	Very low	31.9	Very low	97 Å²	97	137.6 Å²	137.6	80%	0.802	80%	0.802	S	S	*	*			trans	-159.4	153.3	157.6	0	0	0	0	0	110.7
475	P	38.1	Very low	32.2	Very low	109 Å²	109	135.8 Å²	135.8	71%	0.708	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-100.8	160.9	-138	37	-33.9	0	0	0	115.6
476	V	31.8	Very low	32.5	Very low	135 Å²	135	137.3 Å²	137.3	82%	0.818	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-75.1	123.2	171.3	174.6	0	0	0	0	109.9
477	F	29.9	Very low	32.9	Very low	189 Å²	189	135.8 Å²	135.8	83%	0.829	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-100.1	118.5	164	-93.5	-84.1	0	0	0	109.8
478	T	30.2	Very low	33.1	Very low	118 Å²	118	137.1 Å²	137.1	72%	0.724	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-83.3	122	171.7	-46.8	0	0	0	0	109	V480	T478-V480 HydrophobicContact CG2-CG2 4.47Å
479	V	30.9	Very low	33.3	Very low	122 Å²	122	139.8 Å²	139.8	74%	0.739	79%	0.786	S	S	*	*			trans	-103.5	111.6	170.3	177.9	0	0	0	0	108.6	V481	V479-V481 HydrophobicContact CG1-CG2 3.88Å
480	V	33.1	Very low	33.9	Very low	117 Å²	117	145.8 Å²	145.8	71%	0.709	81%	0.807	S	S	*	*			trans	-91.6	118.7	167	174	0	0	0	0	107	T478 T482	T478-V480 HydrophobicContact CG2-CG2 4.47Å; V480-T482 HydrophobicContact CG1-CG2 4.29Å
481	V	32.6	Very low	34.1	Very low	107 Å²	107	147.2 Å²	147.2	65%	0.648	81%	0.807	S	S	*	*			trans	-101.4	109.1	173.2	179.8	0	0	0	0	108.8	V479 F483	V479-V481 HydrophobicContact CG1-CG2 3.88Å; V481-F483 HydrophobicContact CG1-CD2 4.09Å; V481-F483 HydrophobicContact CG1-CE2 3.96Å
482	T	31.8	Very low	33.4	Very low	120 Å²	120	149.1 Å²	149.1	74%	0.736	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-97.1	123.7	166	47.9	0	0	0	0	109.2	V480	V480-T482 HydrophobicContact CG1-CG2 4.29Å
483	F	32.1	Very low	33.5	Very low	193 Å²	193	147.8 Å²	147.8	85%	0.846	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-89.8	128.9	171.7	-88.5	-89.2	0	0	0	110.6	V481	V481-F483 HydrophobicContact CG1-CD2 4.09Å; V481-F483 HydrophobicContact CG1-CE2 3.96Å
484	P	40	Very low	33.6	Very low	114 Å²	114	145.4 Å²	145.4	74%	0.74	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-92.6	133.8	163.4	32.8	-25.2	0	0	0	110.8
485	V	32.8	Very low	33.7	Very low	130 Å²	130	148.4 Å²	148.4	79%	0.788	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-68.5	127	167.5	172.3	0	0	0	0	108.7	I487	V485-I487 HydrophobicContact CG1-CG1 4.28Å
486	L	32.8	Very low	33.4	Very low	152 Å²	152	151.1 Å²	151.1	80%	0.796	80%	0.803	S	S	*	*			trans	-117.4	111.9	166.9	-150.7	88.9	0	0	0	109.1	L488	L486-L488 HydrophobicContact CD2-CD1 3.94Å
487	I	37.4	Very low	33.5	Very low	142 Å²	142	152.2 Å²	152.2	73%	0.728	80%	0.802	S	S	*	*			trans	-80.4	129.8	167.9	-67.6	167.9	0	0	0	107.2	V485	V485-I487 HydrophobicContact CG1-CG1 4.28Å
488	L	31.6	Very low	33.8	Very low	149 Å²	149	149.4 Å²	149.4	78%	0.78	80%	0.8	S	S	*	*			trans	-133.9	112.2	164.8	-108.1	153.1	0	0	0	109	L486	L486-L488 HydrophobicContact CD2-CD1 3.94Å
489	W	32.1	Very low	34.1	Very low	232 Å²	232	152 Å²	152	88%	0.879	81%	0.807	S	S	*	*			trans	-77.1	129.7	161.7	-97.6	47.4	0	0	0	109.1
490	L	41.7	Very low	34.4	Very low	246 Å²	246	154.7 Å²	154.7	100%	1.288	81%	0.813	S	S	*	*				-171.6	0	129.4	-101.4	164.2	0	0	0	109.6

Retrieved 490 of 490 residues in 3317.1 ms (Link to these results)

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