A0A096NXK9_PAPAN Loading...

Angiopoietin 2

AlphaFold DB , UniProt , Accession A0A096NXK9, Species PAPAN (Papio anubis, Olive baboon), Gene ANGPT2, Length 496 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	40.9	Very low	31.3	Very low	239 Å²	239	162.5 Å²	162.5	100%	1.177	82%	0.82	S	S	*	*				0	119.7	0	-77.5	175.9	-87.7	0	0	108.2
2	W	28.8	Very low	31	Very low	253 Å²	253	161.3 Å²	161.3	96%	0.958	82%	0.818	S	S	*	*			trans	-134	125	169.2	-83.9	61.3	0	0	0	105.8
3	Q	31.5	Very low	31.2	Very low	194 Å²	194	160.8 Å²	160.8	91%	0.907	82%	0.818	S	S	*	*			trans	-92.3	127.3	176.1	-81.6	-178.9	-45.2	0	0	109.6
4	I	35.5	Very low	31.1	Very low	142 Å²	142	159.8 Å²	159.8	73%	0.728	82%	0.822	S	S	*	*			trans	-92.4	122.6	172.5	-59.7	170.7	0	0	0	107.1	F6	I4-F6 HydrophobicContact CG2-CD2 3.79Å; I4-F6 HydrophobicContact CG2-CE2 3.78Å
5	V	33.2	Very low	31.5	Very low	116 Å²	116	160.3 Å²	160.3	70%	0.703	83%	0.826	S	S	*	*			trans	-100.3	101.8	175	-179.1	0	0	0	0	108.7	F7	V5-F7 HydrophobicContact CG1-CD2 4.01Å; V5-F7 HydrophobicContact CG1-CE2 4.2Å
6	F	28.9	Very low	31.3	Very low	176 Å²	176	156.7 Å²	156.7	77%	0.772	83%	0.827	S	S	*	*			trans	-81.1	133.7	163.1	-86	-91.6	0	0	0	109.4	I4	I4-F6 HydrophobicContact CG2-CD2 3.79Å; I4-F6 HydrophobicContact CG2-CE2 3.78Å
7	F	29.5	Very low	31.4	Very low	181 Å²	181	153.9 Å²	153.9	79%	0.794	83%	0.832	S	S	*	*			trans	-109.7	103.1	162.9	-106.6	-81.6	0	0	0	109.3	V5	V5-F7 HydrophobicContact CG1-CD2 4.01Å; V5-F7 HydrophobicContact CG1-CE2 4.2Å
8	T	30.8	Very low	31.1	Very low	119 Å²	119	150.3 Å²	150.3	73%	0.73	83%	0.827	S	S	*	*			trans	-94.8	129.3	164.6	50.4	0	0	0	0	108.8
9	L	28.4	Very low	30.9	Very low	166 Å²	166	153.5 Å²	153.5	87%	0.869	83%	0.827	S	S	*	*			trans	-118.7	136.8	163.5	-123.4	86.1	0	0	0	109.3
10	S	28.8	Very low	30.8	Very low	101 Å²	101	151.2 Å²	151.2	71%	0.706	81%	0.814	S	S	*	*			trans	-149.5	171.5	-176.9	58.8	0	0	0	0	110.2
11	C	28.1	Very low	30.8	Very low	100 Å²	100	149.2 Å²	149.2	68%	0.676	80%	0.803	S	S	*	*			trans	79.9	96	170.3	-65	0	0	0	0	118.7
12	D	27.2	Very low	30.2	Very low	148 Å²	148	145.1 Å²	145.1	79%	0.791	78%	0.779	S	S	*	*				83.2	146.1	109.7	-55.4	-33.3	0	0	0	122.8
13	L	33.8	Very low	30.4	Very low	156 Å²	156	142.1 Å²	142.1	82%	0.817	77%	0.768	S	S	*	*			trans	-82.7	148.2	175.2	-62	88	0	0	0	111.6
14	V	29.8	Very low	30.3	Very low	146 Å²	146	141.7 Å²	141.7	89%	0.885	76%	0.763	S	S	*	*			trans	-134.4	133.9	148.8	179.6	0	0	0	0	109.6
15	L	36.8	Very low	30	Very low	167 Å²	167	139 Å²	139	87%	0.874	76%	0.757	S	S	*	*			trans	-88.4	139.3	172	-83.6	155.3	0	0	0	110.9
16	A	28.9	Very low	30.1	Very low	103 Å²	103	141 Å²	141	85%	0.851	76%	0.76	S	S	*	*			trans	-149	145.6	161.5	0	0	0	0	0	109.9
17	A	32.1	Very low	30.1	Very low	109 Å²	109	138.6 Å²	138.6	90%	0.901	76%	0.755	S	S	*	*			trans	-140.2	140.4	-174.9	0	0	0	0	0	113
18	A	26.8	Very low	30.2	Very low	90 Å²	90	133.8 Å²	133.8	74%	0.744	74%	0.744	S	S	*	*			trans	-151.8	139	158.7	0	0	0	0	0	107.6
19	Y	28	Very low	30.3	Very low	211 Å²	211	136.4 Å²	136.4	83%	0.827	75%	0.752	S	S	*	*				64.2	127.7	56.2	-88.8	-119	0	0	0	112.9
20	N	29.3	Very low	30.5	Very low	106 Å²	106	131.5 Å²	131.5	57%	0.567	74%	0.741	S	S	*	*			cis	-167.6	174	0.5	-157.1	2.8	0	0	0	113.2
21	N	29	Very low	30.8	Very low	111 Å²	111	136.3 Å²	136.3	59%	0.594	75%	0.75	S	S	*	*			trans	72.7	154.2	157.6	-61.8	-37.1	0	0	0	117.7
22	F	29.9	Very low	31.1	Very low	152 Å²	152	139.1 Å²	139.1	67%	0.667	75%	0.75	S	S	*	*			cis	-168.6	169.7	2.8	-119.2	-176.5	0	0	0	109.1
23	R	31.2	Very low	31.3	Very low	191 Å²	191	140.8 Å²	140.8	72%	0.721	75%	0.753	S	S	*	*			cis	-170	169.8	-11	-150.7	178.6	-176.8	168.8	-1.1	110
24	K	31.1	Very low	31.3	Very low	185 Å²	185	142 Å²	142	80%	0.804	75%	0.748	S	S	*	*			trans	74.2	148	161.9	-72.9	-171.3	171.3	-174.1	0	117.9
25	S	29.4	Very low	31.6	Very low	86 Å²	86	144 Å²	144	60%	0.601	75%	0.748	S	S	*	*			cis	-151.4	137.3	-8.2	-113.9	0	0	0	0	108.6
26	M	33.9	Very low	31.4	Very low	157 Å²	157	142.7 Å²	142.7	77%	0.773	75%	0.747	S	S	*	*				69.1	127.7	91	-133.2	165	75.7	0	0	112.2
27	D	30.1	Very low	31.8	Very low	125 Å²	125	146.5 Å²	146.5	67%	0.668	75%	0.747	S	S	*	*			cis	-152.6	176.2	40.9	-96.1	-81.4	0	0	0	111.7
28	S	32.1	Very low	32.2	Very low	81 Å²	81	151 Å²	151	57%	0.566	75%	0.749	S	S	*	*			cis	-172.1	179.8	-39.9	56.9	0	0	0	0	111.6
29	I	32.2	Very low	32.7	Very low	174 Å²	174	150 Å²	150	89%	0.892	75%	0.747	S	S	*	*			trans	73.9	127.2	170.2	-51.4	159.2	0	0	0	117.1
30	G	32.5	Very low	33.5	Very low	62 Å²	62	146.1 Å²	146.1	64%	0.639	75%	0.751	S	S	*	*			cis	159.6	120.2	-20.1	0	0	0	0	0	117.8
31	K	34.8	Very low	33.8	Very low	203 Å²	203	147.1 Å²	147.1	88%	0.883	77%	0.765	S	S	*	*			trans	71.4	152.9	157.9	-55.7	170.3	-175.1	168.3	0	116.7
32	K	33.9	Very low	34.3	Very low	158 Å²	158	146.9 Å²	146.9	69%	0.687	77%	0.772	S	S	*	*			cis	-158.1	155.4	-13.3	-122.4	-176.4	173.2	-171.4	0	108.6	Y34	K32-Y34 HydrophobicContact CD-CE2 3.84Å; K32-Y34 PolarHBondContact NZ-OH 3.27Å
33	Q	32.3	Very low	34.6	Very low	183 Å²	183	150.2 Å²	150.2	86%	0.855	78%	0.782	S	S	*	*			trans	-120.3	149	170.1	-168.3	171.9	5.3	0	0	110.3
34	Y	32.8	Very low	34.8	Very low	182 Å²	182	146.5 Å²	146.5	71%	0.714	78%	0.78	S	S	*	*			trans	-133.5	154.2	174	-83	-77.6	0	0	0	110.5	K32	K32-Y34 HydrophobicContact CD-CE2 3.84Å; K32-Y34 PolarHBondContact NZ-OH 3.27Å
35	Q	36.4	Very low	34.9	Very low	188 Å²	188	146.8 Å²	146.8	88%	0.879	78%	0.782	S	S	*	*			trans	-113.7	140.8	-172.8	-172.9	179	15.3	0	0	109.2
36	V	33.4	Very low	35	Very low	140 Å²	140	150.2 Å²	150.2	85%	0.848	79%	0.793	S	S	*	*			trans	-125.5	143.6	177.5	-177.8	0	0	0	0	109.2
37	Q	35.8	Very low	35.1	Very low	182 Å²	182	150.3 Å²	150.3	85%	0.85	80%	0.795	S	S	*	*			trans	-86.8	160.3	-173.2	-65.6	167.5	-32.9	0	0	112	G39	Q37-G39 PolarHBondContact O-N 2.94Å
38	H	41.4	Very low	35.2	Very low	205 Å²	205	150.3 Å²	150.3	95%	0.949	80%	0.802	S	S	*	*			trans	-68.4	128.7	168.9	-69.8	-71.8	0	0	0	111
39	G	37.7	Very low	35.3	Very low	69 Å²	69	155.6 Å²	155.6	71%	0.711	82%	0.818	S	S	*	*			trans	-137.8	149.8	167.9	0	0	0	0	0	109.8	Q37 C41	Q37-G39 PolarHBondContact O-N 2.94Å; G39-C41 PolarHBondContact O-N 3.4Å
40	S	45.3	Very low	35.4	Very low	129 Å²	129	155.8 Å²	155.8	90%	0.902	82%	0.817	S	S	*	*			trans	-78.9	111.3	-176.5	52.2	0	0	0	0	111.8
41	C	34.3	Very low	35.4	Very low	126 Å²	126	161.1 Å²	161.1	85%	0.851	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-98.2	131	171.8	-68.1	0	0	0	0	111.4	G39	G39-C41 PolarHBondContact O-N 3.4Å
42	S	40.4	Very low	35.5	Very low	106 Å²	106	158.2 Å²	158.2	74%	0.741	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-75	148.2	170.9	50.9	0	0	0	0	111.6
43	Y	36.4	Very low	35.2	Very low	223 Å²	223	156.9 Å²	156.9	88%	0.875	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-75.3	131.5	166.6	-78.2	-93.2	0	0	0	110.6
44	T	35.5	Very low	35.1	Very low	112 Å²	112	158.9 Å²	158.9	69%	0.687	83%	0.834	S	S	*	*			trans	-116.1	119.6	169.7	-58.6	0	0	0	0	108.2
45	F	32.9	Very low	35	Very low	191 Å²	191	155 Å²	155	84%	0.838	83%	0.833	S	S	*	*			trans	-79.1	125.1	170.9	-73.3	-94	0	0	0	109.3
46	L	31.8	Very low	34.7	Very low	159 Å²	159	151.8 Å²	151.8	83%	0.832	83%	0.832	S	S	*	*			trans	-101.6	103.2	170.1	-76.1	168.1	0	0	0	109
47	L	35.9	Very low	34.4	Very low	158 Å²	158	150.7 Å²	150.7	83%	0.827	83%	0.83	S	S	*	*			trans	-79.7	131	162.9	-81.6	160.9	0	0	0	108.7	E49	L47-E49 PolarHBondContact O-N 3.47Å
48	P	31.9	Very low	34.2	Very low	125 Å²	125	146.9 Å²	146.9	81%	0.812	82%	0.824	S	S	*	*			trans	-76.5	110.5	166.4	-8.8	25.8	0	0	0	109.4
49	E	34	Very low	34.2	Very low	192 Å²	192	142.2 Å²	142.2	90%	0.897	81%	0.812	S	S	*	*			trans	-78	152	161.4	-69.4	-164.7	143.4	0	0	110.4	L47	L47-E49 PolarHBondContact O-N 3.47Å
50	M	34.8	Very low	33.8	Very low	179 Å²	179	148.7 Å²	148.7	88%	0.882	82%	0.816	S	S	*	*			trans	-89.7	116	-177.4	-69.3	166	54	0	0	111
51	D	31.3	Very low	33.1	Very low	173 Å²	173	149 Å²	149	93%	0.925	81%	0.812	S	S	*	*			trans	-75.1	140.1	178.3	-123.8	-34.2	0	0	0	112.6
52	N	38	Very low	32.8	Very low	142 Å²	142	147.3 Å²	147.3	76%	0.759	80%	0.802	S	S	*	*			trans	-100.4	141.9	-169.2	-96.1	-85.4	0	0	0	113.2
53	C	27.7	Very low	32.3	Very low	130 Å²	130	150.2 Å²	150.2	88%	0.878	81%	0.809	S	S	*	*			trans	-141.2	78.6	164.6	-107.4	0	0	0	0	115.3
54	R	29.1	Very low	32	Very low	225 Å²	225	143.5 Å²	143.5	85%	0.849	80%	0.8	S	S	*	*			trans	45.6	95.1	134.5	-70.1	-175.2	175.6	-176	-1	121
55	S	31.7	Very low	31.8	Very low	100 Å²	100	144.3 Å²	144.3	70%	0.699	80%	0.804	S	S	*	*				55.6	145.3	104.9	70.2	0	0	0	0	123.5
56	S	28.6	Very low	31.6	Very low	122 Å²	122	142.5 Å²	142.5	85%	0.853	80%	0.799	S	S	*	*			trans	84.9	143.8	163.4	82	0	0	0	0	116.5
57	S	28.3	Very low	31.6	Very low	116 Å²	116	144.9 Å²	144.9	81%	0.811	80%	0.796	S	S	*	*			cis	-141.1	165.7	4.4	53	0	0	0	0	113.3
58	S	32.2	Very low	31.3	Very low	103 Å²	103	143.4 Å²	143.4	72%	0.72	79%	0.789	S	S	*	*			trans	-81	164.5	177.7	-170.6	0	0	0	0	111.9
59	P	40.6	Very low	31.8	Very low	107 Å²	107	142 Å²	142	70%	0.695	79%	0.789	S	S	*	*				-150.5	137.1	101.4	35.2	-17.2	0	0	0	117.6
60	Y	29.2	Very low	32.5	Very low	204 Å²	204	138.9 Å²	138.9	80%	0.8	79%	0.785	S	S	*	*			trans	66	166.5	144.5	-75.5	-114.8	0	0	0	116.9
61	V	30.7	Very low	33.2	Very low	135 Å²	135	138.5 Å²	138.5	82%	0.818	79%	0.786	S	S	*	*			cis	-128.5	150.8	15.8	-174.9	0	0	0	0	111.5
62	S	28.1	Very low	33.5	Very low	92 Å²	92	139.8 Å²	139.8	64%	0.643	79%	0.786	S	S	*	*			trans	-66.4	164.9	174	-43.2	0	0	0	0	114.1
63	N	28.7	Very low	34.2	Very low	166 Å²	166	143.7 Å²	143.7	89%	0.888	79%	0.792	S	S	*	*				-154.5	140.3	129.3	-113	-16.5	0	0	0	113.5
64	A	31.6	Very low	35.4	Very low	82 Å²	82	144.6 Å²	144.6	68%	0.678	79%	0.788	S	S	*	*			trans	-85.6	-174.1	155.8	0	0	0	0	0	107.3
65	V	30.1	Very low	36.4	Very low	129 Å²	129	137.9 Å²	137.9	78%	0.782	77%	0.769	S	S	*	*			cis	-153.7	162.7	36.5	-175.1	0	0	0	0	109.8
66	Q	30.1	Very low	37.7	Very low	154 Å²	154	137.4 Å²	137.4	72%	0.72	77%	0.765	S	S	*	*			trans	-31.5	148	150.3	-101.8	160.5	-106.2	0	0	114.7
67	R	31.4	Very low	39.3	Very low	208 Å²	208	136.8 Å²	136.8	79%	0.785	76%	0.756	S	S	*	*			trans	55.9	150.8	140.9	-79.2	-172	-169.3	175.4	4	119
68	D	28.7	Very low	40.9	Very low	127 Å²	127	138.2 Å²	138.2	68%	0.679	75%	0.75	S	S	*	*			cis	-137.5	177.2	8.7	-94.2	-49.7	0	0	0	109.7
69	A	42.9	Very low	42.3	Very low	97 Å²	97	141.1 Å²	141.1	80%	0.802	75%	0.745	S	S	*	*			trans	-66.4	140	161.5	0	0	0	0	0	110.3
70	P	47.7	Very low	43.3	Very low	126 Å²	126	142 Å²	142	82%	0.818	74%	0.744	S	S	*	*				-133.1	173.2	112.9	30.2	-16.2	0	0	0	113.2
71	L	49.8	Very low	45.1	Very low	171 Å²	171	138 Å²	138	90%	0.895	73%	0.732	S	S	*	*			trans	-67.9	130.2	177.9	-63.9	159.4	0	0	0	111.3
72	E	38.3	Very low	47.1	Very low	199 Å²	199	135.6 Å²	135.6	93%	0.93	72%	0.717	S	S	*	*			trans	-161.9	171	132.8	-111.9	162.5	-151.7	0	0	110.6
73	Y	52.8	Low	49	Very low	224 Å²	224	136.4 Å²	136.4	88%	0.878	71%	0.714	S	S	*	*			trans	-122.6	159.1	-153.3	-152.3	-110	0	0	0	111.5
74	D	52.3	Low	51.2	Low	150 Å²	150	134.4 Å²	134.4	80%	0.802	70%	0.699	S	S	*	*	S	Bend	trans	85.8	30.6	156	-135.1	26.7	0	0	0	122.8
75	D	50.9	Low	53.3	Low	84 Å²	84	135.3 Å²	135.3	45%	0.449	69%	0.693	S	S	.	*	S	Bend	trans	-128.5	-15.6	166	-176	58	0	0	0	115.3	V77 R79	D75-V77 PolarHBondContact O-N 2.77Å; D75-R79 IonicContact OD2-CZ 2.68Å; D75-R79 IonicContact OD2-NE 3.79Å; D75-R79 PolarHBondContact OD2-NE 3.24Å; D75-R79 IonicContact OD2-NH2 3.08Å; D75-R79 PolarHBondContact OD2-NH2 2.95Å
76	S	58.1	Low	55.6	Low	89 Å²	89	133.1 Å²	133.1	62%	0.622	68%	0.676	S	S	*	*	H	α-helix	trans	-74.6	-25.4	-166	54.6	0	0	0	0	115.6
77	V	62.2	Low	57.7	Low	109 Å²	109	132.2 Å²	132.2	66%	0.661	67%	0.673	S	S	*	*	H	α-helix	trans	-77.2	-41.4	-173.5	-178.6	0	0	0	0	112.2	D75 R79 L80 Q81	D75-V77 PolarHBondContact O-N 2.77Å; V77-R79 VanDerWaalsContact C-N 3.31Å; V77-R79 PolarHBondContact O-N 3.21Å; V77-L80 PolarHBondContact O-N 3.21Å; V77-Q81 PolarHBondContact O-N 3.5Å
78	Q	62.1	Low	59.9	Low	147 Å²	147	127.5 Å²	127.5	69%	0.687	66%	0.66	S	S	*	*	H	α-helix	trans	-64.1	-34.5	-178.4	-79.6	-178.6	-21.3	0	0	112.6	L80 Q81 V82	Q78-L80 VanDerWaalsContact C-N 3.32Å; Q78-L80 PolarHBondContact O-N 2.88Å; Q78-Q81 PolarHBondContact O-N 3.24Å; Q78-V82 WeakPolarHBondContact O-CG2 3.43Å; Q78-V82 PolarHBondContact O-N 2.76Å
79	R	61.1	Low	62.4	Low	164 Å²	164	125.6 Å²	125.6	62%	0.619	65%	0.65	S	S	*	*	H	α-helix	trans	-63	-36	178.3	-63.4	-173.9	-173.3	-146.1	1.9	113.1	D75 V77 L83	D75-R79 IonicContact OD2-CZ 2.68Å; D75-R79 IonicContact OD2-NE 3.79Å; D75-R79 PolarHBondContact OD2-NE 3.24Å; D75-R79 IonicContact OD2-NH2 3.08Å; D75-R79 PolarHBondContact OD2-NH2 2.95Å; V77-R79 VanDerWaalsContact C-N 3.31Å; V77-R79 PolarHBondContact O-N 3.21Å; R79-L83 WeakPolarHBondContact O-CB 3.43Å; R79-L83 WeakPolarHBondContact O-CG 3.27Å; R79-L83 PolarHBondContact O-N 2.89Å
80	L	62.9	Low	64.2	Low	126 Å²	126	125.2 Å²	125.2	66%	0.66	63%	0.634	S	S	*	*	H	α-helix	trans	-66.5	-45	176.2	-85.5	161.9	0	0	0	111.5	V77 Q78 V82 L83 E84	V77-L80 PolarHBondContact O-N 3.21Å; Q78-L80 VanDerWaalsContact C-N 3.32Å; Q78-L80 PolarHBondContact O-N 2.88Å; L80-V82 VanDerWaalsContact C-N 3.33Å; L80-V82 PolarHBondContact O-N 3.02Å; L80-L83 WeakPolarHBondContact O-CB 3.45Å; L80-L83 PolarHBondContact O-N 2.68Å; L80-E84 PolarHBondContact O-N 2.88Å
81	Q	67.1	Low	65.8	Low	119 Å²	119	122.5 Å²	122.5	56%	0.556	62%	0.616	S	S	*	*	H	α-helix	trans	-73.8	-24.2	-179.1	-158.7	164.8	18.8	0	0	113.2	V77 Q78 N85	V77-Q81 PolarHBondContact O-N 3.5Å; Q78-Q81 PolarHBondContact O-N 3.24Å; Q81-N85 PolarHBondContact O-N 3.03Å; Q81-N85 PolarHBondContact O-ND2 3.34Å
82	V	72.1	Confident	67.3	Low	84 Å²	84	118.7 Å²	118.7	51%	0.509	59%	0.593	S	S	.	*	H	α-helix	trans	-70	-43	166.3	168.8	0	0	0	0	111.1	Q78 L80 E84 N85 I86	Q78-V82 WeakPolarHBondContact O-CG2 3.43Å; Q78-V82 PolarHBondContact O-N 2.76Å; L80-V82 VanDerWaalsContact C-N 3.33Å; L80-V82 PolarHBondContact O-N 3.02Å; V82-E84 VanDerWaalsContact C-N 3.35Å; V82-N85 PolarHBondContact O-N 2.8Å; V82-I86 HydrophobicContact CG1-CD1 3.81Å; V82-I86 VanDerWaalsContact O-CG1 3.27Å; V82-I86 WeakPolarHBondContact O-CG1 3.4Å; V82-I86 PolarHBondContact O-N 2.69Å
83	L	68.8	Low	69.4	Low	109 Å²	109	116.5 Å²	116.5	57%	0.571	58%	0.577	S	S	*	*	H	α-helix	trans	-62.8	-40.2	174.9	-84.3	164.9	0	0	0	112.2	R79 L80 I86 M87	R79-L83 WeakPolarHBondContact O-CB 3.43Å; R79-L83 WeakPolarHBondContact O-CG 3.27Å; R79-L83 PolarHBondContact O-N 2.89Å; L80-L83 WeakPolarHBondContact O-CB 3.45Å; L80-L83 PolarHBondContact O-N 2.68Å; L83-I86 PolarHBondContact O-N 3Å; L83-M87 WeakPolarHBondContact O-CB 3.11Å; L83-M87 PolarHBondContact O-N 2.78Å
84	E	74.3	Confident	70.8	Confident	125 Å²	125	111.2 Å²	111.2	58%	0.584	56%	0.563	S	S	*	*	H	α-helix	trans	-60.7	-49.3	175.7	-171	168.7	-138.9	0	0	111.7	L80 V82 I86 M87 E88	L80-E84 PolarHBondContact O-N 2.88Å; V82-E84 VanDerWaalsContact C-N 3.35Å; E84-I86 VanDerWaalsContact C-N 3.32Å; E84-I86 PolarHBondContact O-N 3.17Å; E84-M87 WeakPolarHBondContact O-CB 3.31Å; E84-M87 PolarHBondContact O-N 3.25Å; E84-M87 VanDerWaalsContact O-N 3.11Å; E84-E88 PolarHBondContact O-N 2.75Å
85	N	76.1	Confident	72.2	Confident	101 Å²	101	109.7 Å²	109.7	54%	0.54	55%	0.552	S	S	.	*	H	α-helix	trans	-57.8	-40.2	172.6	-90.3	-74.2	0	0	0	113.1	Q81 V82 N89	Q81-N85 PolarHBondContact O-N 3.03Å; Q81-N85 PolarHBondContact O-ND2 3.34Å; V82-N85 PolarHBondContact O-N 2.8Å; N85-N89 VanDerWaalsContact O-CB 3.26Å; N85-N89 WeakPolarHBondContact O-CB 3.39Å; N85-N89 PolarHBondContact O-N 2.8Å
86	I	77.9	Confident	73.8	Confident	83 Å²	83	111.8 Å²	111.8	43%	0.426	56%	0.557	S	S	.	*	H	α-helix	trans	-66.5	-40	176.4	-71.1	165.9	0	0	0	110.4	V82 L83 E84 N90	V82-I86 HydrophobicContact CG1-CD1 3.81Å; V82-I86 VanDerWaalsContact O-CG1 3.27Å; V82-I86 WeakPolarHBondContact O-CG1 3.4Å; V82-I86 PolarHBondContact O-N 2.69Å; L83-I86 PolarHBondContact O-N 3Å; E84-I86 VanDerWaalsContact C-N 3.32Å; E84-I86 PolarHBondContact O-N 3.17Å; I86-N90 VanDerWaalsContact O-CB 3.27Å; I86-N90 WeakPolarHBondContact O-CB 3.35Å; I86-N90 PolarHBondContact O-N 2.79Å; I86-N90 PolarHBondContact O-ND2 3Å
87	M	74.8	Confident	75	Confident	135 Å²	135	111.4 Å²	111.4	67%	0.665	55%	0.548	S	S	*	.	H	α-helix	trans	-65.5	-44.4	177.6	-130.8	172.8	61.7	0	0	111.5	L83 E84 N90 T91	L83-M87 WeakPolarHBondContact O-CB 3.11Å; L83-M87 PolarHBondContact O-N 2.78Å; E84-M87 WeakPolarHBondContact O-CB 3.31Å; E84-M87 PolarHBondContact O-N 3.25Å; E84-M87 VanDerWaalsContact O-N 3.11Å; M87-N90 PolarHBondContact O-N 3.3Å; M87-T91 PolarHBondContact O-N 2.67Å; M87-T91 PolarHBondContact O-OG1 3.49Å
88	E	77.3	Confident	76.1	Confident	108 Å²	108	111.4 Å²	111.4	51%	0.505	54%	0.541	S	S	.	.	H	α-helix	trans	-68.1	-40.1	178	-170.2	175.1	-165.2	0	0	112.4	E84 N90 T91 Q92	E84-E88 PolarHBondContact O-N 2.75Å; E88-N90 VanDerWaalsContact C-N 3.32Å; E88-N90 PolarHBondContact O-N 2.9Å; E88-T91 WeakPolarHBondContact CA-OG1 3.28Å; E88-T91 PolarHBondContact O-N 3.46Å; E88-T91 PolarHBondContact O-OG1 3.31Å; E88-Q92 WeakPolarHBondContact O-CB 3.29Å; E88-Q92 VanDerWaalsContact O-CG 3.32Å; E88-Q92 WeakPolarHBondContact O-CG 3.3Å; E88-Q92 PolarHBondContact O-N 3.4Å
89	N	80.5	Confident	77.2	Confident	87 Å²	87	108.8 Å²	108.8	47%	0.465	53%	0.532	S	S	.	.	H	α-helix	trans	-63.7	-38.8	172.7	-168.9	9.3	0	0	0	111.3	N85 Q92 W93	N85-N89 VanDerWaalsContact O-CB 3.26Å; N85-N89 WeakPolarHBondContact O-CB 3.39Å; N85-N89 PolarHBondContact O-N 2.8Å; N89-Q92 PolarHBondContact O-N 2.97Å; N89-W93 WeakPolarHBondContact O-CB 3.46Å; N89-W93 PolarHBondContact O-N 3.41Å
90	N	81.2	Confident	78.4	Confident	90 Å²	90	108.6 Å²	108.6	48%	0.481	53%	0.532	S	S	.	.	H	α-helix	trans	-67.4	-39.7	175.3	-75.5	-23.5	0	0	0	113	I86 M87 E88 W93 L94	I86-N90 VanDerWaalsContact O-CB 3.27Å; I86-N90 WeakPolarHBondContact O-CB 3.35Å; I86-N90 PolarHBondContact O-N 2.79Å; I86-N90 PolarHBondContact O-ND2 3Å; M87-N90 PolarHBondContact O-N 3.3Å; E88-N90 VanDerWaalsContact C-N 3.32Å; E88-N90 PolarHBondContact O-N 2.9Å; N90-W93 PolarHBondContact O-N 2.89Å; N90-L94 WeakPolarHBondContact O-CG 3.12Å; N90-L94 PolarHBondContact O-N 3.44Å
91	T	80.3	Confident	79.4	Confident	69 Å²	69	106.6 Å²	106.6	42%	0.423	52%	0.521	S	S	.	.	H	α-helix	trans	-69.5	-38	175	54.6	0	0	0	0	111.8	M87 E88 W93 L94 M95	M87-T91 PolarHBondContact O-N 2.67Å; M87-T91 PolarHBondContact O-OG1 3.49Å; E88-T91 WeakPolarHBondContact CA-OG1 3.28Å; E88-T91 PolarHBondContact O-N 3.46Å; E88-T91 PolarHBondContact O-OG1 3.31Å; T91-W93 VanDerWaalsContact C-N 3.32Å; T91-W93 PolarHBondContact O-N 3.3Å; T91-L94 PolarHBondContact O-N 3.49Å; T91-M95 WeakPolarHBondContact O-CG 3.34Å; T91-M95 PolarHBondContact O-N 2.97Å
92	Q	81.9	Confident	80.2	Confident	90 Å²	90	106 Å²	106	42%	0.421	52%	0.518	S	S	.	.	H	α-helix	trans	-62.7	-36.9	170.3	-71.7	-176.9	27.6	0	0	112.4	E88 N89 K96	E88-Q92 WeakPolarHBondContact O-CB 3.29Å; E88-Q92 VanDerWaalsContact O-CG 3.32Å; E88-Q92 WeakPolarHBondContact O-CG 3.3Å; E88-Q92 PolarHBondContact O-N 3.4Å; N89-Q92 PolarHBondContact O-N 2.97Å; Q92-K96 WeakPolarHBondContact O-CG 3.46Å; Q92-K96 PolarHBondContact O-N 3.22Å
93	W	82.7	Confident	80.9	Confident	154 Å²	154	106.6 Å²	106.6	58%	0.583	52%	0.519	S	S	*	.	H	α-helix	trans	-66.7	-42.6	173.3	-110.6	99.8	0	0	0	112.4	N89 N90 T91 K96 L97	N89-W93 WeakPolarHBondContact O-CB 3.46Å; N89-W93 PolarHBondContact O-N 3.41Å; N90-W93 PolarHBondContact O-N 2.89Å; T91-W93 VanDerWaalsContact C-N 3.32Å; T91-W93 PolarHBondContact O-N 3.3Å; W93-K96 PolarHBondContact O-N 2.9Å; W93-L97 HydrophobicContact CZ3-CD1 4.37Å; W93-L97 WeakPolarHBondContact O-CB 3.35Å; W93-L97 PolarHBondContact O-N 3.49Å
94	L	81.8	Confident	81.6	Confident	113 Å²	113	104.1 Å²	104.1	59%	0.592	51%	0.506	S	S	*	.	H	α-helix	trans	-62.2	-44	175	-73.6	167.8	0	0	0	111.4	N90 T91 K96 L97 E98	N90-L94 WeakPolarHBondContact O-CG 3.12Å; N90-L94 PolarHBondContact O-N 3.44Å; T91-L94 PolarHBondContact O-N 3.49Å; L94-K96 VanDerWaalsContact C-N 3.34Å; L94-K96 PolarHBondContact O-N 3.49Å; L94-L97 PolarHBondContact O-N 2.94Å; L94-E98 WeakPolarHBondContact O-CB 3.44Å; L94-E98 PolarHBondContact O-N 2.9Å
95	M	81.9	Confident	82.1	Confident	118 Å²	118	104 Å²	104	58%	0.581	51%	0.507	S	S	*	.	H	α-helix	trans	-61.7	-38.9	173.7	-72.1	-178.9	-179.5	0	0	112.4	T91 N99	T91-M95 WeakPolarHBondContact O-CG 3.34Å; T91-M95 PolarHBondContact O-N 2.97Å; M95-N99 WeakPolarHBondContact O-CB 3.34Å; M95-N99 PolarHBondContact O-N 3.27Å; M95-N99 PolarHBondContact O-ND2 2.89Å
96	K	84.4	Confident	82.6	Confident	127 Å²	127	105.4 Å²	105.4	55%	0.552	51%	0.508	S	S	*	.	H	α-helix	trans	-66.2	-40.4	174.1	-75.8	170.1	-176.2	167.4	0	112	Q92 W93 L94 Y100	Q92-K96 WeakPolarHBondContact O-CG 3.46Å; Q92-K96 PolarHBondContact O-N 3.22Å; W93-K96 PolarHBondContact O-N 2.9Å; L94-K96 VanDerWaalsContact C-N 3.34Å; L94-K96 PolarHBondContact O-N 3.49Å; K96-Y100 VanDerWaalsContact O-CB 3.31Å; K96-Y100 WeakPolarHBondContact O-CB 3.46Å; K96-Y100 PolarHBondContact O-N 2.97Å
97	L	83.5	Confident	83	Confident	81 Å²	81	107.8 Å²	107.8	42%	0.424	52%	0.515	S	S	.	.	H	α-helix	trans	-66.7	-43.2	177.9	-154.8	90.7	0	0	0	111.2	W93 L94 Y100 I101	W93-L97 HydrophobicContact CZ3-CD1 4.37Å; W93-L97 WeakPolarHBondContact O-CB 3.35Å; W93-L97 PolarHBondContact O-N 3.49Å; L94-L97 PolarHBondContact O-N 2.94Å; L97-Y100 PolarHBondContact O-N 3.47Å; L97-I101 HydrophobicContact CD2-CD1 4.12Å; L97-I101 HydrophobicContact CG-CD1 4.18Å; L97-I101 WeakPolarHBondContact O-CB 3.48Å; L97-I101 WeakPolarHBondContact O-CD1 3.32Å; L97-I101 VanDerWaalsContact O-CG1 3.25Å; L97-I101 WeakPolarHBondContact O-CG1 3.2Å; L97-I101 PolarHBondContact O-N 2.86Å
98	E	84.9	Confident	83.5	Confident	109 Å²	109	107 Å²	107	51%	0.509	51%	0.51	S	S	.	.	H	α-helix	trans	-61.1	-49.7	175.9	-177.7	176.9	-170.3	0	0	111.3	L94 Y100 I101 Q102	L94-E98 WeakPolarHBondContact O-CB 3.44Å; L94-E98 PolarHBondContact O-N 2.9Å; E98-Y100 VanDerWaalsContact C-N 3.33Å; E98-Y100 PolarHBondContact O-N 3.32Å; E98-I101 PolarHBondContact O-N 3.45Å; E98-Q102 WeakPolarHBondContact O-CB 3.4Å; E98-Q102 WeakPolarHBondContact O-CG 3.45Å; E98-Q102 PolarHBondContact O-N 2.63Å; E98-Q102 PolarHBondContact OE1-NE2 2.76Å
99	N	84.9	Confident	83.8	Confident	93 Å²	93	107.9 Å²	107.9	50%	0.497	52%	0.516	S	S	.	.	H	α-helix	trans	-59.5	-42.8	175.3	-78.1	-66.5	0	0	0	111.9	M95 I101 Q102 D103	M95-N99 WeakPolarHBondContact O-CB 3.34Å; M95-N99 PolarHBondContact O-N 3.27Å; M95-N99 PolarHBondContact O-ND2 2.89Å; N99-I101 PolarHBondContact O-N 3.31Å; N99-Q102 PolarHBondContact O-N 3.11Å; N99-D103 PolarHBondContact O-N 3.24Å
100	Y	86.1	Confident	84	Confident	159 Å²	159	107.5 Å²	107.5	62%	0.624	52%	0.516	S	S	*	.	H	α-helix	trans	-64.4	-37.3	177.7	-177.7	-100.7	0	0	0	113	K96 L97 E98 N104	K96-Y100 VanDerWaalsContact O-CB 3.31Å; K96-Y100 WeakPolarHBondContact O-CB 3.46Å; K96-Y100 PolarHBondContact O-N 2.97Å; L97-Y100 PolarHBondContact O-N 3.47Å; E98-Y100 VanDerWaalsContact C-N 3.33Å; E98-Y100 PolarHBondContact O-N 3.32Å; Y100-N104 WeakPolarHBondContact CE1-ND2 3.3Å; Y100-N104 WeakPolarHBondContact O-CB 3.32Å; Y100-N104 PolarHBondContact O-N 2.95Å; Y100-N104 VanDerWaalsContact O-N 3.13Å; Y100-N104 PolarHBondContact O-ND2 3.36Å; Y100-N104 PolarHBondContact OH-ND2 2.84Å
101	I	84	Confident	84.3	Confident	84 Å²	84	108.2 Å²	108.2	43%	0.431	52%	0.517	S	S	.	.	H	α-helix	trans	-68.6	-46.2	173.6	-70.2	164.4	0	0	0	110.2	L97 E98 N99 N104 M105	L97-I101 HydrophobicContact CD2-CD1 4.12Å; L97-I101 HydrophobicContact CG-CD1 4.18Å; L97-I101 WeakPolarHBondContact O-CB 3.48Å; L97-I101 WeakPolarHBondContact O-CD1 3.32Å; L97-I101 VanDerWaalsContact O-CG1 3.25Å; L97-I101 WeakPolarHBondContact O-CG1 3.2Å; L97-I101 PolarHBondContact O-N 2.86Å; E98-I101 PolarHBondContact O-N 3.45Å; N99-I101 PolarHBondContact O-N 3.31Å; I101-N104 PolarHBondContact O-N 3.49Å; I101-M105 HydrophobicContact CG2-CG 4.27Å; I101-M105 HydrophobicContact CG2-SD 3.83Å; I101-M105 WeakPolarHBondContact O-CB 3.34Å; I101-M105 VanDerWaalsContact O-CG 3.31Å; I101-M105 WeakPolarHBondContact O-CG 3.47Å; I101-M105 PolarHBondContact O-N 3.07Å
102	Q	85.1	Confident	84.5	Confident	107 Å²	107	110.6 Å²	110.6	50%	0.5	53%	0.526	S	S	.	.	H	α-helix	trans	-61	-46.1	178.2	-73.5	-170.9	21.5	0	0	112.1	E98 N99 K106	E98-Q102 WeakPolarHBondContact O-CB 3.4Å; E98-Q102 WeakPolarHBondContact O-CG 3.45Å; E98-Q102 PolarHBondContact O-N 2.63Å; E98-Q102 PolarHBondContact OE1-NE2 2.76Å; N99-Q102 PolarHBondContact O-N 3.11Å; Q102-K106 WeakPolarHBondContact O-CB 3.35Å; Q102-K106 PolarHBondContact O-N 3.48Å
103	D	85.8	Confident	84.5	Confident	97 Å²	97	112 Å²	112	52%	0.519	53%	0.532	S	S	.	.	H	α-helix	trans	-68.1	-38.4	179.6	-89.5	-25.1	0	0	0	112.6	N99 K107	N99-D103 PolarHBondContact O-N 3.24Å; D103-K107 VanDerWaalsContact O-CB 3.3Å; D103-K107 WeakPolarHBondContact O-CB 3.37Å; D103-K107 PolarHBondContact O-N 3.3Å
104	N	84.8	Confident	84.7	Confident	56 Å²	56	109.9 Å²	109.9	30%	0.299	53%	0.529	S	S	.	.	H	α-helix	trans	-67.8	-46.7	173.6	-84.2	-32.3	0	0	0	112.1	Y100 I101 K106 K107 E108	Y100-N104 WeakPolarHBondContact CE1-ND2 3.3Å; Y100-N104 WeakPolarHBondContact O-CB 3.32Å; Y100-N104 PolarHBondContact O-N 2.95Å; Y100-N104 VanDerWaalsContact O-N 3.13Å; Y100-N104 PolarHBondContact O-ND2 3.36Å; Y100-N104 PolarHBondContact OH-ND2 2.84Å; I101-N104 PolarHBondContact O-N 3.49Å; N104-K106 VanDerWaalsContact C-N 3.28Å; N104-K106 PolarHBondContact O-N 3.02Å; N104-K107 WeakPolarHBondContact O-CB 3.41Å; N104-K107 PolarHBondContact O-N 3.24Å; N104-K107 VanDerWaalsContact O-N 3.15Å; N104-E108 WeakPolarHBondContact O-CG 3.49Å; N104-E108 PolarHBondContact O-N 2.95Å
105	M	83.1	Confident	85	Confident	122 Å²	122	108.5 Å²	108.5	60%	0.601	52%	0.522	S	S	*	.	H	α-helix	trans	-60.4	-38.7	175.9	-74.5	-175.5	69.4	0	0	111.9	I101 M109	I101-M105 HydrophobicContact CG2-CG 4.27Å; I101-M105 HydrophobicContact CG2-SD 3.83Å; I101-M105 WeakPolarHBondContact O-CB 3.34Å; I101-M105 VanDerWaalsContact O-CG 3.31Å; I101-M105 WeakPolarHBondContact O-CG 3.47Å; I101-M105 PolarHBondContact O-N 3.07Å; M105-M109 WeakPolarHBondContact O-CB 3.23Å; M105-M109 PolarHBondContact O-N 3.41Å
106	K	87.3	Confident	85.2	Confident	132 Å²	132	105 Å²	105	57%	0.574	51%	0.512	S	S	*	.	H	α-helix	trans	-65.8	-41.2	175.2	-179.7	-179.2	176.8	-172.7	0	111.7	Q102 N104 V110	Q102-K106 WeakPolarHBondContact O-CB 3.35Å; Q102-K106 PolarHBondContact O-N 3.48Å; N104-K106 VanDerWaalsContact C-N 3.28Å; N104-K106 PolarHBondContact O-N 3.02Å; K106-V110 WeakPolarHBondContact O-CB 3.38Å; K106-V110 VanDerWaalsContact O-CG2 3.26Å; K106-V110 WeakPolarHBondContact O-CG2 3.46Å; K106-V110 PolarHBondContact O-N 2.99Å
107	K	85.7	Confident	85.4	Confident	132 Å²	132	102.5 Å²	102.5	57%	0.574	51%	0.507	S	S	*	.	H	α-helix	trans	-64	-49.8	174.5	-177.3	-170.8	169.5	-163.1	0	111.4	D103 N104 M109 V110 E111	D103-K107 VanDerWaalsContact O-CB 3.3Å; D103-K107 WeakPolarHBondContact O-CB 3.37Å; D103-K107 PolarHBondContact O-N 3.3Å; N104-K107 WeakPolarHBondContact O-CB 3.41Å; N104-K107 PolarHBondContact O-N 3.24Å; N104-K107 VanDerWaalsContact O-N 3.15Å; K107-M109 PolarHBondContact O-N 2.81Å; K107-V110 PolarHBondContact O-N 3.4Å; K107-E111 WeakPolarHBondContact O-CB 3.3Å; K107-E111 PolarHBondContact O-N 3.4Å
108	E	85.9	Confident	85.5	Confident	119 Å²	119	103.8 Å²	103.8	56%	0.556	51%	0.511	S	S	*	.	H	α-helix	trans	-61.2	-42.7	177.3	-73.2	-179.2	172.9	0	0	111.6	N104 V110 E111 I112	N104-E108 WeakPolarHBondContact O-CG 3.49Å; N104-E108 PolarHBondContact O-N 2.95Å; E108-V110 PolarHBondContact O-N 3.45Å; E108-E111 PolarHBondContact O-N 2.59Å; E108-I112 WeakPolarHBondContact O-CB 3.38Å; E108-I112 WeakPolarHBondContact O-CD1 3.25Å; E108-I112 VanDerWaalsContact O-CG1 3.24Å; E108-I112 WeakPolarHBondContact O-CG1 3.18Å; E108-I112 PolarHBondContact O-N 3.32Å
109	M	83.1	Confident	85.6	Confident	126 Å²	126	103.7 Å²	103.7	62%	0.621	51%	0.514	S	S	*	.	H	α-helix	trans	-64.6	-40	177.1	-170.1	175.7	73.8	0	0	112	M105 K107 Q113	M105-M109 WeakPolarHBondContact O-CB 3.23Å; M105-M109 PolarHBondContact O-N 3.41Å; K107-M109 PolarHBondContact O-N 2.81Å; M109-Q113 VanDerWaalsContact O-CB 3.23Å; M109-Q113 WeakPolarHBondContact O-CB 3.37Å; M109-Q113 PolarHBondContact O-N 2.87Å
110	V	86.5	Confident	85.9	Confident	79 Å²	79	105.8 Å²	105.8	48%	0.479	52%	0.521	S	S	.	.	H	α-helix	trans	-64.7	-41.8	172.4	167.3	0	0	0	0	111.1	K106 K107 E108 Q113 Q114	K106-V110 WeakPolarHBondContact O-CB 3.38Å; K106-V110 VanDerWaalsContact O-CG2 3.26Å; K106-V110 WeakPolarHBondContact O-CG2 3.46Å; K106-V110 PolarHBondContact O-N 2.99Å; K107-V110 PolarHBondContact O-N 3.4Å; E108-V110 PolarHBondContact O-N 3.45Å; V110-Q113 PolarHBondContact O-N 2.94Å; V110-Q114 WeakPolarHBondContact O-CB 3.23Å; V110-Q114 PolarHBondContact O-N 3.17Å
111	E	86.4	Confident	86.1	Confident	105 Å²	105	101.5 Å²	101.5	49%	0.491	51%	0.511	S	S	.	.	H	α-helix	trans	-67.5	-42.3	179.2	-171.2	168.7	163.1	0	0	112.1	K107 E108 Q114 N115	K107-E111 WeakPolarHBondContact O-CB 3.3Å; K107-E111 PolarHBondContact O-N 3.4Å; E108-E111 PolarHBondContact O-N 2.59Å; E111-Q114 PolarHBondContact O-N 3.34Å; E111-N115 VanDerWaalsContact O-CB 3.31Å; E111-N115 WeakPolarHBondContact O-CB 3.15Å; E111-N115 PolarHBondContact O-N 2.75Å; E111-N115 PolarHBondContact O-ND2 2.86Å; E111-N115 VanDerWaalsContact O-ND2 3.15Å
112	I	83.9	Confident	86.4	Confident	119 Å²	119	100.1 Å²	100.1	61%	0.61	51%	0.513	S	S	*	.	H	α-helix	trans	-62.1	-44.5	172.6	-70.2	163.2	0	0	0	110.6	E108 N115 A116	E108-I112 WeakPolarHBondContact O-CB 3.38Å; E108-I112 WeakPolarHBondContact O-CD1 3.25Å; E108-I112 VanDerWaalsContact O-CG1 3.24Å; E108-I112 WeakPolarHBondContact O-CG1 3.18Å; E108-I112 PolarHBondContact O-N 3.32Å; I112-N115 PolarHBondContact O-N 3.29Å; I112-A116 VanDerWaalsContact O-CB 3.27Å; I112-A116 WeakPolarHBondContact O-CB 3.45Å; I112-A116 PolarHBondContact O-N 2.87Å
113	Q	82.9	Confident	86.7	Confident	121 Å²	121	98.2 Å²	98.2	57%	0.565	51%	0.508	S	S	*	.	H	α-helix	trans	-64.6	-43.3	177	-174.2	175.6	3.1	0	0	111.7	M109 V110 A116 V117	M109-Q113 VanDerWaalsContact O-CB 3.23Å; M109-Q113 WeakPolarHBondContact O-CB 3.37Å; M109-Q113 PolarHBondContact O-N 2.87Å; V110-Q113 PolarHBondContact O-N 2.94Å; Q113-A116 PolarHBondContact O-N 2.97Å; Q113-V117 WeakPolarHBondContact O-CB 3.5Å; Q113-V117 VanDerWaalsContact O-CG2 3.28Å; Q113-V117 WeakPolarHBondContact O-CG2 3.44Å; Q113-V117 PolarHBondContact O-N 3.2Å
114	Q	86.3	Confident	87	Confident	109 Å²	109	100.4 Å²	100.4	51%	0.509	52%	0.517	S	S	.	.	H	α-helix	trans	-59.9	-48.7	176.4	-170	81.9	-6.3	0	0	110.8	V110 E111 V117 Q118	V110-Q114 WeakPolarHBondContact O-CB 3.23Å; V110-Q114 PolarHBondContact O-N 3.17Å; E111-Q114 PolarHBondContact O-N 3.34Å; Q114-V117 PolarHBondContact O-N 2.8Å; Q114-Q118 WeakPolarHBondContact O-CB 3.46Å; Q114-Q118 VanDerWaalsContact O-CG 3.29Å; Q114-Q118 WeakPolarHBondContact O-CG 3.39Å; Q114-Q118 PolarHBondContact O-N 2.86Å
115	N	87.8	Confident	87.3	Confident	84 Å²	84	102.8 Å²	102.8	45%	0.449	53%	0.528	S	S	.	.	H	α-helix	trans	-66.4	-39.3	179.4	-71.6	-28	0	0	0	112.1	E111 I112 Q118 N119	E111-N115 VanDerWaalsContact O-CB 3.31Å; E111-N115 WeakPolarHBondContact O-CB 3.15Å; E111-N115 PolarHBondContact O-N 2.75Å; E111-N115 PolarHBondContact O-ND2 2.86Å; E111-N115 VanDerWaalsContact O-ND2 3.15Å; I112-N115 PolarHBondContact O-N 3.29Å; N115-Q118 PolarHBondContact O-N 3.3Å; N115-N119 VanDerWaalsContact O-CB 3.29Å; N115-N119 WeakPolarHBondContact O-CB 3.33Å; N115-N119 PolarHBondContact O-N 3.46Å
116	A	87.3	Confident	87.8	Confident	45 Å²	45	102.5 Å²	102.5	37%	0.372	53%	0.526	S	S	.	.	H	α-helix	trans	-63.5	-46	174.6	0	0	0	0	0	111.8	I112 Q113 N119 Q120	I112-A116 VanDerWaalsContact O-CB 3.27Å; I112-A116 WeakPolarHBondContact O-CB 3.45Å; I112-A116 PolarHBondContact O-N 2.87Å; Q113-A116 PolarHBondContact O-N 2.97Å; A116-N119 PolarHBondContact O-N 2.91Å; A116-Q120 WeakPolarHBondContact O-CB 3.46Å; A116-Q120 VanDerWaalsContact O-CG 3.31Å; A116-Q120 WeakPolarHBondContact O-CG 3.29Å; A116-Q120 PolarHBondContact O-N 2.93Å
117	V	87.4	Confident	88.1	Confident	74 Å²	74	100.8 Å²	100.8	45%	0.448	52%	0.522	S	S	.	.	H	α-helix	trans	-63.8	-43.6	176.3	168.8	0	0	0	0	111.3	Q113 Q114 T121	Q113-V117 WeakPolarHBondContact O-CB 3.5Å; Q113-V117 VanDerWaalsContact O-CG2 3.28Å; Q113-V117 WeakPolarHBondContact O-CG2 3.44Å; Q113-V117 PolarHBondContact O-N 3.2Å; Q114-V117 PolarHBondContact O-N 2.8Å; V117-T121 VanDerWaalsContact O-CB 3.24Å; V117-T121 WeakPolarHBondContact O-CB 3.44Å; V117-T121 PolarHBondContact O-N 3.34Å; V117-T121 PolarHBondContact O-OG1 2.85Å
118	Q	85.9	Confident	88.5	Confident	107 Å²	107	95.8 Å²	95.8	50%	0.5	51%	0.508	S	S	.	.	H	α-helix	trans	-62.5	-44.6	176.9	-76.4	179.4	4.2	0	0	112.2	Q114 N115 T121 A122	Q114-Q118 WeakPolarHBondContact O-CB 3.46Å; Q114-Q118 VanDerWaalsContact O-CG 3.29Å; Q114-Q118 WeakPolarHBondContact O-CG 3.39Å; Q114-Q118 PolarHBondContact O-N 2.86Å; N115-Q118 PolarHBondContact O-N 3.3Å; Q118-T121 PolarHBondContact O-N 3.02Å; Q118-A122 WeakPolarHBondContact O-CB 3.27Å; Q118-A122 PolarHBondContact O-N 3.24Å
119	N	88.3	Confident	88.8	Confident	108 Å²	108	93.8 Å²	93.8	58%	0.578	50%	0.504	S	S	*	.	H	α-helix	trans	-65.7	-45.9	178.6	-168.1	4	0	0	0	111.5	N115 A116 T121 A122 V123	N115-N119 VanDerWaalsContact O-CB 3.29Å; N115-N119 WeakPolarHBondContact O-CB 3.33Å; N115-N119 PolarHBondContact O-N 3.46Å; A116-N119 PolarHBondContact O-N 2.91Å; N119-T121 VanDerWaalsContact C-N 3.29Å; N119-T121 PolarHBondContact O-N 3.18Å; N119-A122 PolarHBondContact O-N 2.78Å; N119-V123 WeakPolarHBondContact O-CG2 3.34Å; N119-V123 PolarHBondContact O-N 2.96Å
120	Q	89.5	Confident	89.4	Confident	137 Å²	137	91.5 Å²	91.5	64%	0.64	49%	0.494	S	S	*	.	H	α-helix	trans	-60.4	-38.4	173.8	-73.2	178	-3.2	0	0	112.3	A116 M124	A116-Q120 WeakPolarHBondContact O-CB 3.46Å; A116-Q120 VanDerWaalsContact O-CG 3.31Å; A116-Q120 WeakPolarHBondContact O-CG 3.29Å; A116-Q120 PolarHBondContact O-N 2.93Å; Q120-M124 VanDerWaalsContact O-CB 3.29Å; Q120-M124 WeakPolarHBondContact O-CB 3.37Å; Q120-M124 PolarHBondContact O-N 2.78Å
121	T	91.6	Very high	89.8	Confident	69 Å²	69	92.3 Å²	92.3	42%	0.423	50%	0.495	S	S	.	.	H	α-helix	trans	-66.9	-42.6	176.2	-58.9	0	0	0	0	111.3	V117 Q118 N119 M124 I125	V117-T121 VanDerWaalsContact O-CB 3.24Å; V117-T121 WeakPolarHBondContact O-CB 3.44Å; V117-T121 PolarHBondContact O-N 3.34Å; V117-T121 PolarHBondContact O-OG1 2.85Å; Q118-T121 PolarHBondContact O-N 3.02Å; N119-T121 VanDerWaalsContact C-N 3.29Å; N119-T121 PolarHBondContact O-N 3.18Å; T121-M124 PolarHBondContact O-N 3Å; T121-I125 HydrophobicContact CG2-CD1 3.86Å; T121-I125 HydrophobicContact CG2-CG1 4.46Å; T121-I125 WeakPolarHBondContact O-CB 3.36Å; T121-I125 VanDerWaalsContact O-CG1 3.26Å; T121-I125 WeakPolarHBondContact O-CG1 3.45Å; T121-I125 PolarHBondContact O-N 3.37Å
122	A	90.8	Very high	90.1	Very high	55 Å²	55	93.3 Å²	93.3	46%	0.455	50%	0.503	S	S	.	.	H	α-helix	trans	-61.8	-47.7	176.7	0	0	0	0	0	111.6	Q118 N119 M124 I125 E126	Q118-A122 WeakPolarHBondContact O-CB 3.27Å; Q118-A122 PolarHBondContact O-N 3.24Å; N119-A122 PolarHBondContact O-N 2.78Å; A122-M124 VanDerWaalsContact C-N 3.33Å; A122-M124 PolarHBondContact O-N 3.41Å; A122-I125 PolarHBondContact O-N 3.32Å; A122-E126 PolarHBondContact O-N 2.7Å
123	V	91.6	Very high	90.6	Very high	67 Å²	67	92.6 Å²	92.6	41%	0.406	50%	0.501	S	S	.	.	H	α-helix	trans	-62.3	-39.5	175.7	173.1	0	0	0	0	111.5	N119 E126 I127	N119-V123 WeakPolarHBondContact O-CG2 3.34Å; N119-V123 PolarHBondContact O-N 2.96Å; V123-E126 PolarHBondContact O-N 3.42Å; V123-I127 HydrophobicContact CG1-CD1 3.8Å; V123-I127 HydrophobicContact CG1-CG1 4.46Å; V123-I127 WeakPolarHBondContact O-CB 3.35Å; V123-I127 VanDerWaalsContact O-CG1 3.28Å; V123-I127 WeakPolarHBondContact O-CG1 3.44Å; V123-I127 PolarHBondContact O-N 3.15Å
124	M	90.1	Very high	91.2	Very high	143 Å²	143	92.1 Å²	92.1	70%	0.704	50%	0.498	S	S	*	.	H	α-helix	trans	-66.2	-39.1	176.3	-173.4	177.3	-70.4	0	0	112.4	Q120 T121 A122 G128	Q120-M124 VanDerWaalsContact O-CB 3.29Å; Q120-M124 WeakPolarHBondContact O-CB 3.37Å; Q120-M124 PolarHBondContact O-N 2.78Å; T121-M124 PolarHBondContact O-N 3Å; A122-M124 VanDerWaalsContact C-N 3.33Å; A122-M124 PolarHBondContact O-N 3.41Å; M124-G128 PolarHBondContact O-N 2.85Å
125	I	92.4	Very high	91.6	Very high	105 Å²	105	90.5 Å²	90.5	54%	0.538	50%	0.496	S	S	.	.	H	α-helix	trans	-65.5	-45.3	173.6	-70.6	166.3	0	0	0	110.4	T121 A122 G128 T129	T121-I125 HydrophobicContact CG2-CD1 3.86Å; T121-I125 HydrophobicContact CG2-CG1 4.46Å; T121-I125 WeakPolarHBondContact O-CB 3.36Å; T121-I125 VanDerWaalsContact O-CG1 3.26Å; T121-I125 WeakPolarHBondContact O-CG1 3.45Å; T121-I125 PolarHBondContact O-N 3.37Å; A122-I125 PolarHBondContact O-N 3.32Å; I125-G128 PolarHBondContact O-N 2.84Å; I125-T129 HydrophobicContact CG2-CG2 4.34Å; I125-T129 WeakPolarHBondContact O-CG2 3.08Å; I125-T129 PolarHBondContact O-N 3.26Å; I125-T129 PolarHBondContact O-OG1 3.26Å
126	E	92.6	Very high	91.9	Very high	117 Å²	117	88.5 Å²	88.5	55%	0.547	49%	0.491	S	S	.	.	H	α-helix	trans	-59.1	-50.6	177.9	-176.6	177.7	-178.3	0	0	111.2	A122 V123 G128 T129 N130	A122-E126 PolarHBondContact O-N 2.7Å; V123-E126 PolarHBondContact O-N 3.42Å; E126-G128 VanDerWaalsContact C-N 3.31Å; E126-G128 PolarHBondContact O-N 2.78Å; E126-T129 PolarHBondContact O-N 3.47Å; E126-T129 PolarHBondContact O-OG1 2.94Å; E126-N130 WeakPolarHBondContact O-CB 3.46Å; E126-N130 PolarHBondContact O-N 3.2Å; E126-N130 PolarHBondContact O-ND2 3.16Å
127	I	93.8	Very high	92.3	Very high	95 Å²	95	90.8 Å²	90.8	49%	0.487	49%	0.494	S	S	.	.	H	α-helix	trans	-57.8	-44.3	174.9	-68.6	167.8	0	0	0	110.9	V123 N130 L131	V123-I127 HydrophobicContact CG1-CD1 3.8Å; V123-I127 HydrophobicContact CG1-CG1 4.46Å; V123-I127 WeakPolarHBondContact O-CB 3.35Å; V123-I127 VanDerWaalsContact O-CG1 3.28Å; V123-I127 WeakPolarHBondContact O-CG1 3.44Å; V123-I127 PolarHBondContact O-N 3.15Å; I127-N130 PolarHBondContact O-N 3.32Å; I127-L131 HydrophobicContact CG2-CD1 3.86Å; I127-L131 HydrophobicContact CG2-CG 4.43Å; I127-L131 WeakPolarHBondContact O-CB 3.39Å; I127-L131 WeakPolarHBondContact O-CG 3.41Å; I127-L131 PolarHBondContact O-N 2.8Å
128	G	93.9	Very high	92.7	Very high	28 Å²	28	93.6 Å²	93.6	29%	0.289	50%	0.502	S	S	.	.	H	α-helix	trans	-60.1	-46.4	176.8	0	0	0	0	0	113.2	M124 I125 E126 L131 L132	M124-G128 PolarHBondContact O-N 2.85Å; I125-G128 PolarHBondContact O-N 2.84Å; E126-G128 VanDerWaalsContact C-N 3.31Å; E126-G128 PolarHBondContact O-N 2.78Å; G128-L131 PolarHBondContact O-N 3.1Å; G128-L132 WeakPolarHBondContact O-CB 3.39Å; G128-L132 VanDerWaalsContact O-CG 3.26Å; G128-L132 WeakPolarHBondContact O-CG 3.24Å; G128-L132 PolarHBondContact O-N 3.11Å
129	T	93	Very high	93.1	Very high	77 Å²	77	92.1 Å²	92.1	47%	0.472	50%	0.501	S	S	.	.	H	α-helix	trans	-67.3	-38.9	177.7	57.8	0	0	0	0	112.6	I125 E126 L132 N133	I125-T129 HydrophobicContact CG2-CG2 4.34Å; I125-T129 WeakPolarHBondContact O-CG2 3.08Å; I125-T129 PolarHBondContact O-N 3.26Å; I125-T129 PolarHBondContact O-OG1 3.26Å; E126-T129 PolarHBondContact O-N 3.47Å; E126-T129 PolarHBondContact O-OG1 2.94Å; T129-L132 PolarHBondContact O-N 3.32Å; T129-N133 VanDerWaalsContact O-CB 3.32Å; T129-N133 WeakPolarHBondContact O-CB 3.44Å; T129-N133 PolarHBondContact O-N 3.07Å
130	N	94.6	Very high	93.4	Very high	78 Å²	78	95.9 Å²	95.9	42%	0.417	51%	0.507	S	S	.	.	H	α-helix	trans	-65.2	-43.9	175.9	-79.5	-43.6	0	0	0	111.7	E126 I127 N133 Q134	E126-N130 WeakPolarHBondContact O-CB 3.46Å; E126-N130 PolarHBondContact O-N 3.2Å; E126-N130 PolarHBondContact O-ND2 3.16Å; I127-N130 PolarHBondContact O-N 3.32Å; N130-N133 PolarHBondContact O-N 3.09Å; N130-Q134 WeakPolarHBondContact O-CB 3.02Å; N130-Q134 WeakPolarHBondContact O-CG 3.17Å; N130-Q134 PolarHBondContact O-N 3.13Å
131	L	94.9	Very high	93.7	Very high	96 Å²	96	95.1 Å²	95.1	50%	0.503	50%	0.501	S	S	.	.	H	α-helix	trans	-62.1	-48.4	173.6	-74.6	170.1	0	0	0	111.5	I127 G128 N133 Q134 T135	I127-L131 HydrophobicContact CG2-CD1 3.86Å; I127-L131 HydrophobicContact CG2-CG 4.43Å; I127-L131 WeakPolarHBondContact O-CB 3.39Å; I127-L131 WeakPolarHBondContact O-CG 3.41Å; I127-L131 PolarHBondContact O-N 2.8Å; G128-L131 PolarHBondContact O-N 3.1Å; L131-N133 VanDerWaalsContact C-N 3.31Å; L131-N133 PolarHBondContact O-N 3.29Å; L131-Q134 PolarHBondContact O-N 3.3Å; L131-T135 WeakPolarHBondContact O-CB 3.23Å; L131-T135 PolarHBondContact O-N 3.06Å; L131-T135 PolarHBondContact O-OG1 2.96Å; L131-T135 VanDerWaalsContact O-OG1 3.06Å
132	L	93.9	Very high	93.9	Very high	125 Å²	125	96.5 Å²	96.5	65%	0.654	51%	0.506	S	S	*	.	H	α-helix	trans	-58.7	-40.5	177.5	-76.2	168.1	0	0	0	112.5	G128 T129 A136	G128-L132 WeakPolarHBondContact O-CB 3.39Å; G128-L132 VanDerWaalsContact O-CG 3.26Å; G128-L132 WeakPolarHBondContact O-CG 3.24Å; G128-L132 PolarHBondContact O-N 3.11Å; T129-L132 PolarHBondContact O-N 3.32Å; L132-A136 VanDerWaalsContact O-CB 3.31Å; L132-A136 WeakPolarHBondContact O-CB 3.27Å; L132-A136 PolarHBondContact O-N 2.94Å
133	N	93.6	Very high	94.2	Very high	104 Å²	104	97.3 Å²	97.3	56%	0.556	51%	0.505	S	S	*	.	H	α-helix	trans	-68	-44.6	177.2	-169.5	35.7	0	0	0	111.8	T129 N130 L131 A136 E137	T129-N133 VanDerWaalsContact O-CB 3.32Å; T129-N133 WeakPolarHBondContact O-CB 3.44Å; T129-N133 PolarHBondContact O-N 3.07Å; N130-N133 PolarHBondContact O-N 3.09Å; L131-N133 VanDerWaalsContact C-N 3.31Å; L131-N133 PolarHBondContact O-N 3.29Å; N133-A136 PolarHBondContact O-N 3.48Å; N133-E137 WeakPolarHBondContact O-CB 3.3Å; N133-E137 PolarHBondContact O-N 3.19Å
134	Q	95.2	Very high	94.4	Very high	111 Å²	111	99.7 Å²	99.7	52%	0.519	52%	0.516	S	S	.	.	H	α-helix	trans	-61.8	-43	174.5	-74.7	-179.6	2	0	0	112.1	N130 L131 E137 Q138	N130-Q134 WeakPolarHBondContact O-CB 3.02Å; N130-Q134 WeakPolarHBondContact O-CG 3.17Å; N130-Q134 PolarHBondContact O-N 3.13Å; L131-Q134 PolarHBondContact O-N 3.3Å; Q134-E137 PolarHBondContact O-N 3.31Å; Q134-Q138 WeakPolarHBondContact O-CB 3.45Å; Q134-Q138 WeakPolarHBondContact O-CG 3.41Å; Q134-Q138 PolarHBondContact O-N 2.93Å
135	T	95.3	Very high	94.8	Very high	76 Å²	76	96.5 Å²	96.5	47%	0.466	50%	0.504	S	S	.	.	H	α-helix	trans	-61.9	-46.5	174.4	-60.2	0	0	0	0	110.8	L131 E137 Q138 T139	L131-T135 WeakPolarHBondContact O-CB 3.23Å; L131-T135 PolarHBondContact O-N 3.06Å; L131-T135 PolarHBondContact O-OG1 2.96Å; L131-T135 VanDerWaalsContact O-OG1 3.06Å; T135-E137 VanDerWaalsContact C-N 3.32Å; T135-E137 PolarHBondContact O-N 2.98Å; T135-Q138 PolarHBondContact O-N 2.95Å; T135-T139 PolarHBondContact O-N 2.94Å; T135-T139 PolarHBondContact O-OG1 2.87Å
136	A	94.9	Very high	94.9	Very high	41 Å²	41	96.7 Å²	96.7	34%	0.339	50%	0.503	S	S	.	.	H	α-helix	trans	-62.3	-36.6	177.5	0	0	0	0	0	112.9	L132 N133 R140	L132-A136 VanDerWaalsContact O-CB 3.31Å; L132-A136 WeakPolarHBondContact O-CB 3.27Å; L132-A136 PolarHBondContact O-N 2.94Å; N133-A136 PolarHBondContact O-N 3.48Å; A136-R140 VanDerWaalsContact O-CG 3.31Å; A136-R140 WeakPolarHBondContact O-CG 3.3Å; A136-R140 PolarHBondContact O-N 2.79Å
137	E	94.7	Very high	95.1	Very high	93 Å²	93	93.8 Å²	93.8	44%	0.435	50%	0.499	S	S	.	.	H	α-helix	trans	-68.9	-41	174	-161.7	-168.1	154.1	0	0	111.9	N133 Q134 T135 R140 K141	N133-E137 WeakPolarHBondContact O-CB 3.3Å; N133-E137 PolarHBondContact O-N 3.19Å; Q134-E137 PolarHBondContact O-N 3.31Å; T135-E137 VanDerWaalsContact C-N 3.32Å; T135-E137 PolarHBondContact O-N 2.98Å; E137-R140 PolarHBondContact O-N 2.96Å; E137-K141 WeakPolarHBondContact O-CG 3.49Å; E137-K141 PolarHBondContact O-N 3.03Å; E137-K141 WeakPolarHBondContact OE1-CE 3.38Å; E137-K141 IonicContact OE1-NZ 2.72Å; E137-K141 PolarHBondContact OE1-NZ 3.24Å
138	Q	95.4	Very high	95.2	Very high	133 Å²	133	94.5 Å²	94.5	62%	0.621	50%	0.5	S	S	*	.	H	α-helix	trans	-64.5	-44.1	174.3	-75.6	179.3	-4.8	0	0	112	Q134 T135 R140 K141 L142	Q134-Q138 WeakPolarHBondContact O-CB 3.45Å; Q134-Q138 WeakPolarHBondContact O-CG 3.41Å; Q134-Q138 PolarHBondContact O-N 2.93Å; T135-Q138 PolarHBondContact O-N 2.95Å; Q138-R140 VanDerWaalsContact C-N 3.35Å; Q138-R140 PolarHBondContact O-N 3.21Å; Q138-K141 PolarHBondContact O-N 3.16Å; Q138-L142 WeakPolarHBondContact O-CB 3.4Å; Q138-L142 PolarHBondContact O-N 3.41Å
139	T	94.6	Very high	95.4	Very high	76 Å²	76	96.7 Å²	96.7	47%	0.466	51%	0.508	S	S	.	.	H	α-helix	trans	-59.6	-44.5	174.7	-57.3	0	0	0	0	111	T135 K141 L142 T143	T135-T139 PolarHBondContact O-N 2.94Å; T135-T139 PolarHBondContact O-OG1 2.87Å; T139-K141 PolarHBondContact O-N 3.08Å; T139-L142 PolarHBondContact O-N 2.91Å; T139-T143 WeakPolarHBondContact O-CG2 3.45Å; T139-T143 PolarHBondContact O-N 2.81Å; T139-T143 PolarHBondContact O-OG1 2.86Å
140	R	95.5	Very high	95.6	Very high	187 Å²	187	98.6 Å²	98.6	71%	0.706	51%	0.514	S	S	*	.	H	α-helix	trans	-59.2	-46.3	175.7	-77	172.4	178.8	171.2	1.5	112.4	A136 E137 Q138 L142 T143 D144	A136-R140 VanDerWaalsContact O-CG 3.31Å; A136-R140 WeakPolarHBondContact O-CG 3.3Å; A136-R140 PolarHBondContact O-N 2.79Å; E137-R140 PolarHBondContact O-N 2.96Å; Q138-R140 VanDerWaalsContact C-N 3.35Å; Q138-R140 PolarHBondContact O-N 3.21Å; R140-L142 VanDerWaalsContact C-N 3.33Å; R140-L142 PolarHBondContact O-N 2.81Å; R140-T143 WeakPolarHBondContact CA-OG1 3.31Å; R140-T143 PolarHBondContact O-N 2.8Å; R140-T143 PolarHBondContact O-OG1 2.85Å; R140-D144 PolarHBondContact O-N 3.47Å
141	K	96.3	Very high	95.7	Very high	121 Å²	121	100 Å²	100	53%	0.526	52%	0.522	S	S	.	.	H	α-helix	trans	-62.8	-39	176.7	-72	171.3	-175.4	170.6	0	112.1	E137 Q138 T139 D144 V145	E137-K141 WeakPolarHBondContact O-CG 3.49Å; E137-K141 PolarHBondContact O-N 3.03Å; E137-K141 WeakPolarHBondContact OE1-CE 3.38Å; E137-K141 IonicContact OE1-NZ 2.72Å; E137-K141 PolarHBondContact OE1-NZ 3.24Å; Q138-K141 PolarHBondContact O-N 3.16Å; T139-K141 PolarHBondContact O-N 3.08Å; K141-D144 PolarHBondContact O-N 2.96Å; K141-V145 WeakPolarHBondContact O-CG2 3.41Å; K141-V145 PolarHBondContact O-N 3.04Å; K141-V145 VanDerWaalsContact O-N 3.16Å
142	L	95.9	Very high	95.8	Very high	99 Å²	99	100.5 Å²	100.5	52%	0.518	52%	0.522	S	S	.	.	H	α-helix	trans	-64.2	-47.9	175.3	-176.3	61.1	0	0	0	111.2	Q138 T139 R140 D144 V145 E146	Q138-L142 WeakPolarHBondContact O-CB 3.4Å; Q138-L142 PolarHBondContact O-N 3.41Å; T139-L142 PolarHBondContact O-N 2.91Å; R140-L142 VanDerWaalsContact C-N 3.33Å; R140-L142 PolarHBondContact O-N 2.81Å; L142-D144 VanDerWaalsContact C-N 3.27Å; L142-D144 PolarHBondContact O-N 2.03Å; L142-V145 PolarHBondContact O-N 2.82Å; L142-V145 VanDerWaalsContact O-N 3.17Å; L142-E146 HydrophobicContact CD1-CG 4.43Å; L142-E146 HydrophobicContact CG-CG 4.4Å; L142-E146 WeakPolarHBondContact O-CG 3.35Å; L142-E146 PolarHBondContact O-N 2.87Å
143	T	95.8	Very high	95.9	Very high	72 Å²	72	97.5 Å²	97.5	44%	0.442	51%	0.508	S	S	.	.	H	α-helix	trans	-63.7	-30.1	179	51.9	0	0	0	0	113.7	T139 R140 A147	T139-T143 WeakPolarHBondContact O-CG2 3.45Å; T139-T143 PolarHBondContact O-N 2.81Å; T139-T143 PolarHBondContact O-OG1 2.86Å; R140-T143 WeakPolarHBondContact CA-OG1 3.31Å; R140-T143 PolarHBondContact O-N 2.8Å; R140-T143 PolarHBondContact O-OG1 2.85Å; T143-A147 VanDerWaalsContact O-CB 3.31Å; T143-A147 WeakPolarHBondContact O-CB 3.21Å; T143-A147 PolarHBondContact O-N 2.86Å
144	D	96.5	Very high	96.1	Very high	117 Å²	117	95.3 Å²	95.3	63%	0.626	50%	0.499	S	S	*	.	H	α-helix	trans	-70	-42.7	174.7	-168.1	51.4	0	0	0	111.2	R140 K141 L142 A147 Q148	R140-D144 PolarHBondContact O-N 3.47Å; K141-D144 PolarHBondContact O-N 2.96Å; L142-D144 VanDerWaalsContact C-N 3.27Å; L142-D144 PolarHBondContact O-N 2.03Å; D144-A147 PolarHBondContact O-N 2.88Å; D144-Q148 WeakPolarHBondContact O-CB 3.4Å; D144-Q148 PolarHBondContact O-N 3.08Å
145	V	97.3	Very high	96.2	Very high	75 Å²	75	97.6 Å²	97.6	46%	0.455	50%	0.503	S	S	.	.	H	α-helix	trans	-65.5	-41.9	173.1	173	0	0	0	0	111.6	K141 L142 Q148 V149	K141-V145 WeakPolarHBondContact O-CG2 3.41Å; K141-V145 PolarHBondContact O-N 3.04Å; K141-V145 VanDerWaalsContact O-N 3.16Å; L142-V145 PolarHBondContact O-N 2.82Å; L142-V145 VanDerWaalsContact O-N 3.17Å; V145-Q148 PolarHBondContact O-N 2.87Å; V145-V149 HydrophobicContact CG1-CG2 4.38Å; V145-V149 WeakPolarHBondContact O-CB 3.38Å; V145-V149 WeakPolarHBondContact O-CG2 3.39Å; V145-V149 PolarHBondContact O-N 3.06Å
146	E	96.4	Very high	96.2	Very high	109 Å²	109	99.4 Å²	99.4	51%	0.509	51%	0.509	S	S	.	.	H	α-helix	trans	-60.4	-44.8	175	-72.9	172.5	159.8	0	0	111.5	L142 V149 L150	L142-E146 HydrophobicContact CD1-CG 4.43Å; L142-E146 HydrophobicContact CG-CG 4.4Å; L142-E146 WeakPolarHBondContact O-CG 3.35Å; L142-E146 PolarHBondContact O-N 2.87Å; E146-V149 PolarHBondContact O-N 2.97Å; E146-L150 WeakPolarHBondContact O-CB 3.18Å; E146-L150 PolarHBondContact O-N 2.81Å
147	A	95.8	Very high	96.3	Very high	56 Å²	56	103 Å²	103	46%	0.463	52%	0.519	S	S	.	.	H	α-helix	trans	-64.9	-39.4	175.2	0	0	0	0	0	112.4	T143 D144 L150 N151	T143-A147 VanDerWaalsContact O-CB 3.31Å; T143-A147 WeakPolarHBondContact O-CB 3.21Å; T143-A147 PolarHBondContact O-N 2.86Å; D144-A147 PolarHBondContact O-N 2.88Å; A147-L150 PolarHBondContact O-N 3.25Å; A147-N151 WeakPolarHBondContact O-CB 3.31Å; A147-N151 PolarHBondContact O-N 2.82Å
148	Q	96.5	Very high	96.4	Very high	110 Å²	110	104.2 Å²	104.2	51%	0.514	53%	0.528	S	S	.	.	H	α-helix	trans	-63.7	-45.2	175.3	-172.2	-178.5	22.7	0	0	111.7	D144 V145 N151 Q152	D144-Q148 WeakPolarHBondContact O-CB 3.4Å; D144-Q148 PolarHBondContact O-N 3.08Å; V145-Q148 PolarHBondContact O-N 2.87Å; Q148-N151 PolarHBondContact O-N 3.36Å; Q148-Q152 WeakPolarHBondContact O-CG 3.32Å; Q148-Q152 PolarHBondContact O-N 3.41Å
149	V	97.4	Very high	96.5	Very high	75 Å²	75	101.3 Å²	101.3	46%	0.455	51%	0.514	S	S	.	.	H	α-helix	trans	-63.9	-44.7	177	169.4	0	0	0	0	110.7	V145 E146 N151 Q152 T153	V145-V149 HydrophobicContact CG1-CG2 4.38Å; V145-V149 WeakPolarHBondContact O-CB 3.38Å; V145-V149 WeakPolarHBondContact O-CG2 3.39Å; V145-V149 PolarHBondContact O-N 3.06Å; E146-V149 PolarHBondContact O-N 2.97Å; V149-N151 VanDerWaalsContact C-N 3.31Å; V149-N151 PolarHBondContact O-N 2.9Å; V149-Q152 PolarHBondContact O-N 2.89Å; V149-T153 PolarHBondContact O-N 3.13Å; V149-T153 PolarHBondContact O-OG1 3.33Å
150	L	96.7	Very high	96.6	Very high	116 Å²	116	103.8 Å²	103.8	61%	0.607	52%	0.524	S	S	*	.	H	α-helix	trans	-61.1	-39	177.5	-176.4	63	0	0	0	112.5	E146 A147 T154	E146-L150 WeakPolarHBondContact O-CB 3.18Å; E146-L150 PolarHBondContact O-N 2.81Å; A147-L150 PolarHBondContact O-N 3.25Å; L150-T154 HydrophobicContact CD1-CG2 4.44Å; L150-T154 WeakPolarHBondContact O-CB 3.31Å; L150-T154 WeakPolarHBondContact O-CG2 3.36Å; L150-T154 PolarHBondContact O-N 2.91Å; L150-T154 PolarHBondContact O-OG1 3.09Å
151	N	96.6	Very high	96.7	Very high	108 Å²	108	100.4 Å²	100.4	58%	0.578	52%	0.519	S	S	*	.	H	α-helix	trans	-66.7	-42.2	174.8	-171.2	-28.2	0	0	0	111.5	A147 Q148 V149 T154 R155	A147-N151 WeakPolarHBondContact O-CB 3.31Å; A147-N151 PolarHBondContact O-N 2.82Å; Q148-N151 PolarHBondContact O-N 3.36Å; V149-N151 VanDerWaalsContact C-N 3.31Å; V149-N151 PolarHBondContact O-N 2.9Å; N151-T154 PolarHBondContact O-OG1 3.31Å; N151-R155 VanDerWaalsContact O-CB 3.27Å; N151-R155 WeakPolarHBondContact O-CB 3.41Å; N151-R155 PolarHBondContact O-N 3.1Å
152	Q	97	Very high	96.7	Very high	107 Å²	107	101.4 Å²	101.4	50%	0.5	53%	0.526	S	S	.	.	H	α-helix	trans	-65	-43.7	175	-73.1	-179.5	1.1	0	0	112.6	Q148 V149 R155 L156	Q148-Q152 WeakPolarHBondContact O-CG 3.32Å; Q148-Q152 PolarHBondContact O-N 3.41Å; V149-Q152 PolarHBondContact O-N 2.89Å; Q152-R155 PolarHBondContact O-N 3.29Å; Q152-L156 VanDerWaalsContact O-CG 3.31Å; Q152-L156 WeakPolarHBondContact O-CG 3.44Å; Q152-L156 PolarHBondContact O-N 3.11Å
153	T	96.9	Very high	96.8	Very high	61 Å²	61	102.4 Å²	102.4	37%	0.374	53%	0.527	S	S	.	.	H	α-helix	trans	-61.8	-52.7	177.2	-62.1	0	0	0	0	111.4	V149 R155 L156 E157	V149-T153 PolarHBondContact O-N 3.13Å; V149-T153 PolarHBondContact O-OG1 3.33Å; T153-R155 VanDerWaalsContact C-N 3.28Å; T153-R155 PolarHBondContact O-N 3.3Å; T153-L156 PolarHBondContact O-N 3.2Å; T153-E157 HydrophobicContact CG2-CG 4.43Å; T153-E157 WeakPolarHBondContact O-CG 3.26Å; T153-E157 PolarHBondContact O-N 2.93Å
154	T	96.9	Very high	96.8	Very high	59 Å²	59	101.8 Å²	101.8	36%	0.362	53%	0.526	S	S	.	.	H	α-helix	trans	-63.3	-33.3	-179.6	49.7	0	0	0	0	112.5	L150 N151 L158	L150-T154 HydrophobicContact CD1-CG2 4.44Å; L150-T154 WeakPolarHBondContact O-CB 3.31Å; L150-T154 WeakPolarHBondContact O-CG2 3.36Å; L150-T154 PolarHBondContact O-N 2.91Å; L150-T154 PolarHBondContact O-OG1 3.09Å; N151-T154 PolarHBondContact O-OG1 3.31Å; T154-L158 VanDerWaalsContact O-CG 3.3Å; T154-L158 WeakPolarHBondContact O-CG 3.47Å; T154-L158 PolarHBondContact O-N 3Å; T154-L158 VanDerWaalsContact O-N 3.1Å
155	R	96.9	Very high	96.9	Very high	159 Å²	159	102 Å²	102	60%	0.6	53%	0.527	S	S	*	.	H	α-helix	trans	-63.1	-45.3	169.7	178	177.3	174.4	160.4	3	112.5	N151 Q152 T153 L158 Q159	N151-R155 VanDerWaalsContact O-CB 3.27Å; N151-R155 WeakPolarHBondContact O-CB 3.41Å; N151-R155 PolarHBondContact O-N 3.1Å; Q152-R155 PolarHBondContact O-N 3.29Å; T153-R155 VanDerWaalsContact C-N 3.28Å; T153-R155 PolarHBondContact O-N 3.3Å; R155-L158 PolarHBondContact O-N 2.89Å; R155-Q159 WeakPolarHBondContact O-CG 3.49Å; R155-Q159 PolarHBondContact O-N 2.9Å
156	L	97.2	Very high	96.9	Very high	114 Å²	114	101.2 Å²	101.2	60%	0.597	52%	0.524	S	S	*	.	H	α-helix	trans	-66.4	-38.3	179.1	-72.6	169.2	0	0	0	112	Q152 T153 Q159 L160	Q152-L156 VanDerWaalsContact O-CG 3.31Å; Q152-L156 WeakPolarHBondContact O-CG 3.44Å; Q152-L156 PolarHBondContact O-N 3.11Å; T153-L156 PolarHBondContact O-N 3.2Å; L156-Q159 PolarHBondContact O-N 3.26Å; L156-L160 WeakPolarHBondContact O-CB 3.23Å; L156-L160 PolarHBondContact O-N 3Å
157	E	97.1	Very high	96.9	Very high	115 Å²	115	99.3 Å²	99.3	54%	0.537	52%	0.52	S	S	.	.	H	α-helix	trans	-61.1	-45.2	173.8	-71.1	172.8	160.9	0	0	111.9	T153 L160 L161	T153-E157 HydrophobicContact CG2-CG 4.43Å; T153-E157 WeakPolarHBondContact O-CG 3.26Å; T153-E157 PolarHBondContact O-N 2.93Å; E157-L160 PolarHBondContact O-N 3.46Å; E157-L161 WeakPolarHBondContact O-CB 3.41Å; E157-L161 PolarHBondContact O-N 3.24Å
158	L	96.6	Very high	96.9	Very high	119 Å²	119	101 Å²	101	62%	0.623	52%	0.522	S	S	*	.	H	α-helix	trans	-62.4	-43.8	175.7	-73.1	169.4	0	0	0	112.1	T154 R155 L161 E162	T154-L158 VanDerWaalsContact O-CG 3.3Å; T154-L158 WeakPolarHBondContact O-CG 3.47Å; T154-L158 PolarHBondContact O-N 3Å; T154-L158 VanDerWaalsContact O-N 3.1Å; R155-L158 PolarHBondContact O-N 2.89Å; L158-L161 PolarHBondContact O-N 3.42Å; L158-E162 PolarHBondContact O-N 3.28Å
159	Q	97.1	Very high	97	Very high	73 Å²	73	102.2 Å²	102.2	34%	0.341	53%	0.525	S	S	.	.	H	α-helix	trans	-65.1	-39.5	176.5	-69.4	-174.1	-87.2	0	0	111.9	R155 L156 L161 E162 H163	R155-Q159 WeakPolarHBondContact O-CG 3.49Å; R155-Q159 PolarHBondContact O-N 2.9Å; L156-Q159 PolarHBondContact O-N 3.26Å; Q159-L161 VanDerWaalsContact C-N 3.34Å; Q159-L161 PolarHBondContact O-N 3.22Å; Q159-E162 PolarHBondContact O-N 3.49Å; Q159-H163 WeakPolarHBondContact O-CB 3.39Å; Q159-H163 PolarHBondContact O-CD2 3.38Å; Q159-H163 PolarHBondContact O-N 3.16Å
160	L	97.1	Very high	96.9	Very high	128 Å²	128	103 Å²	103	67%	0.67	53%	0.527	S	S	*	.	H	α-helix	trans	-63.4	-40.2	176	-176.9	63.6	0	0	0	111.8	L156 E157 S164	L156-L160 WeakPolarHBondContact O-CB 3.23Å; L156-L160 PolarHBondContact O-N 3Å; E157-L160 PolarHBondContact O-N 3.46Å; L160-S164 WeakPolarHBondContact O-CB 3.49Å; L160-S164 PolarHBondContact O-N 2.79Å
161	L	97.6	Very high	97	Very high	116 Å²	116	103 Å²	103	61%	0.607	52%	0.523	S	S	*	.	H	α-helix	trans	-66.9	-43	176	-173.9	65.7	0	0	0	112.1	E157 L158 Q159 S164 L165	E157-L161 WeakPolarHBondContact O-CB 3.41Å; E157-L161 PolarHBondContact O-N 3.24Å; L158-L161 PolarHBondContact O-N 3.42Å; Q159-L161 VanDerWaalsContact C-N 3.34Å; Q159-L161 PolarHBondContact O-N 3.22Å; L161-S164 PolarHBondContact O-N 3.31Å; L161-L165 WeakPolarHBondContact O-CB 3.25Å; L161-L165 PolarHBondContact O-N 2.88Å
162	E	96.1	Very high	97	Very high	141 Å²	141	104.1 Å²	104.1	66%	0.659	52%	0.523	S	S	*	.	H	α-helix	trans	-61.7	-46	175.1	-176.4	176	-162.9	0	0	111.5	L158 Q159 L165 S166	L158-E162 PolarHBondContact O-N 3.28Å; Q159-E162 PolarHBondContact O-N 3.49Å; E162-L165 PolarHBondContact O-N 2.87Å; E162-S166 WeakPolarHBondContact O-CB 3.01Å; E162-S166 PolarHBondContact O-N 2.69Å
163	H	97.1	Very high	97	Very high	120 Å²	120	103.7 Å²	103.7	56%	0.556	52%	0.521	S	S	*	.	H	α-helix	trans	-61.3	-44.4	174.7	-75.6	-55.2	0	0	0	112	Q159 L165 S166 T167	Q159-H163 WeakPolarHBondContact O-CB 3.39Å; Q159-H163 PolarHBondContact O-CD2 3.38Å; Q159-H163 PolarHBondContact O-N 3.16Å; H163-L165 PolarHBondContact O-N 3.42Å; H163-S166 WeakPolarHBondContact O-CB 3.47Å; H163-S166 PolarHBondContact O-N 3.29Å; H163-T167 PolarHBondContact O-N 3.22Å; H163-T167 PolarHBondContact O-OG1 2.8Å; H163-T167 VanDerWaalsContact O-OG1 3.1Å
164	S	97.2	Very high	97	Very high	59 Å²	59	105.5 Å²	105.5	41%	0.413	53%	0.527	S	S	.	.	H	α-helix	trans	-59.6	-46.3	176.2	-178	0	0	0	0	112.1	L160 L161 S166 T167 N168	L160-S164 WeakPolarHBondContact O-CB 3.49Å; L160-S164 PolarHBondContact O-N 2.79Å; L161-S164 PolarHBondContact O-N 3.31Å; S164-S166 VanDerWaalsContact C-N 3.32Å; S164-S166 PolarHBondContact O-N 3.34Å; S164-T167 PolarHBondContact O-N 3.44Å; S164-N168 PolarHBondContact O-N 3.06Å; S164-N168 PolarHBondContact O-ND2 3.46Å
165	L	97.3	Very high	97.1	Very high	123 Å²	123	108.6 Å²	108.6	64%	0.644	54%	0.541	S	S	*	.	H	α-helix	trans	-65.2	-35.5	178.3	-171.9	145.8	0	0	0	112.1	L161 E162 H163 K169	L161-L165 WeakPolarHBondContact O-CB 3.25Å; L161-L165 PolarHBondContact O-N 2.88Å; E162-L165 PolarHBondContact O-N 2.87Å; H163-L165 PolarHBondContact O-N 3.42Å; L165-K169 WeakPolarHBondContact O-CB 3.38Å; L165-K169 PolarHBondContact O-N 2.79Å; L165-K169 VanDerWaalsContact O-N 3.15Å
166	S	96.9	Very high	97.1	Very high	58 Å²	58	105.2 Å²	105.2	41%	0.406	54%	0.535	S	S	.	.	H	α-helix	trans	-65.2	-45.7	172.8	-165.1	0	0	0	0	112.1	E162 H163 S164 K169 L170	E162-S166 WeakPolarHBondContact O-CB 3.01Å; E162-S166 PolarHBondContact O-N 2.69Å; H163-S166 WeakPolarHBondContact O-CB 3.47Å; H163-S166 PolarHBondContact O-N 3.29Å; S164-S166 VanDerWaalsContact C-N 3.32Å; S164-S166 PolarHBondContact O-N 3.34Å; S166-K169 WeakPolarHBondContact O-CB 3.46Å; S166-K169 PolarHBondContact O-N 2.91Å; S166-L170 WeakPolarHBondContact O-CG 3.35Å; S166-L170 PolarHBondContact O-N 3.5Å
167	T	96.9	Very high	97.1	Very high	69 Å²	69	105.9 Å²	105.9	42%	0.423	54%	0.535	S	S	.	.	H	α-helix	trans	-60.5	-48.9	175.8	-59.5	0	0	0	0	111.7	H163 S164 K169 L170 E171	H163-T167 PolarHBondContact O-N 3.22Å; H163-T167 PolarHBondContact O-OG1 2.8Å; H163-T167 VanDerWaalsContact O-OG1 3.1Å; S164-T167 PolarHBondContact O-N 3.44Å; T167-K169 PolarHBondContact O-N 3.3Å; T167-L170 PolarHBondContact O-N 3.22Å; T167-E171 HydrophobicContact CG2-CG 4.38Å; T167-E171 WeakPolarHBondContact O-CG 3.48Å; T167-E171 PolarHBondContact O-N 2.68Å
168	N	96.5	Very high	97.1	Very high	92 Å²	92	103.5 Å²	103.5	49%	0.492	53%	0.528	S	S	.	.	H	α-helix	trans	-56.2	-36.2	176.2	-73.6	-52	0	0	0	112.6	S164 K172	S164-N168 PolarHBondContact O-N 3.06Å; S164-N168 PolarHBondContact O-ND2 3.46Å; N168-K172 PolarHBondContact O-N 3.45Å
169	K	97.1	Very high	97.1	Very high	135 Å²	135	100.3 Å²	100.3	59%	0.587	52%	0.516	S	S	*	.	H	α-helix	trans	-69.5	-40.9	175.8	-177	-177.6	176.5	-175.2	0	112.1	L165 S166 T167 Q173	L165-K169 WeakPolarHBondContact O-CB 3.38Å; L165-K169 PolarHBondContact O-N 2.79Å; L165-K169 VanDerWaalsContact O-N 3.15Å; S166-K169 WeakPolarHBondContact O-CB 3.46Å; S166-K169 PolarHBondContact O-N 2.91Å; T167-K169 PolarHBondContact O-N 3.3Å; K169-Q173 WeakPolarHBondContact O-CG 3.47Å; K169-Q173 PolarHBondContact O-N 2.92Å; K169-Q173 VanDerWaalsContact O-N 3.1Å
170	L	97.1	Very high	97.1	Very high	92 Å²	92	101.1 Å²	101.1	48%	0.482	52%	0.52	S	S	.	.	H	α-helix	trans	-67	-43.9	176.2	-71	167.6	0	0	0	111.7	S166 T167 K172 Q173 I174	S166-L170 WeakPolarHBondContact O-CG 3.35Å; S166-L170 PolarHBondContact O-N 3.5Å; T167-L170 PolarHBondContact O-N 3.22Å; L170-K172 VanDerWaalsContact C-N 3.32Å; L170-K172 PolarHBondContact O-N 2.87Å; L170-Q173 PolarHBondContact O-N 3.31Å; L170-Q173 VanDerWaalsContact O-N 3.1Å; L170-I174 WeakPolarHBondContact O-CG1 3.49Å; L170-I174 PolarHBondContact O-N 3.36Å
171	E	97.3	Very high	97.1	Very high	114 Å²	114	99.8 Å²	99.8	53%	0.533	51%	0.512	S	S	.	.	H	α-helix	trans	-57.5	-43.8	175.3	-73.6	179.7	-173	0	0	111.8	T167 I174 L175	T167-E171 HydrophobicContact CG2-CG 4.38Å; T167-E171 WeakPolarHBondContact O-CG 3.48Å; T167-E171 PolarHBondContact O-N 2.68Å; E171-I174 PolarHBondContact O-N 2.89Å; E171-L175 PolarHBondContact O-N 2.71Å
172	K	97.4	Very high	97	Very high	133 Å²	133	98.2 Å²	98.2	58%	0.578	50%	0.504	S	S	*	.	H	α-helix	trans	-61.7	-44.6	173.6	-176.5	176.1	177	-179.6	0	112.2	N168 L170 I174 L175 D176	N168-K172 PolarHBondContact O-N 3.45Å; L170-K172 VanDerWaalsContact C-N 3.32Å; L170-K172 PolarHBondContact O-N 2.87Å; K172-I174 VanDerWaalsContact C-N 3.3Å; K172-I174 PolarHBondContact O-N 3.2Å; K172-L175 PolarHBondContact O-N 2.66Å; K172-D176 PolarHBondContact O-N 2.85Å
173	Q	96.8	Very high	97.1	Very high	98 Å²	98	95.6 Å²	95.6	46%	0.458	49%	0.491	S	S	.	.	H	α-helix	trans	-62.5	-37.1	177.9	-74.1	-179.2	-42.6	0	0	112.4	K169 L170 Q177	K169-Q173 WeakPolarHBondContact O-CG 3.47Å; K169-Q173 PolarHBondContact O-N 2.92Å; K169-Q173 VanDerWaalsContact O-N 3.1Å; L170-Q173 PolarHBondContact O-N 3.31Å; L170-Q173 VanDerWaalsContact O-N 3.1Å; Q173-Q177 WeakPolarHBondContact O-CB 3.36Å; Q173-Q177 VanDerWaalsContact O-CG 3.27Å; Q173-Q177 WeakPolarHBondContact O-CG 3.16Å; Q173-Q177 PolarHBondContact O-N 2.81Å
174	I	97.7	Very high	97	Very high	99 Å²	99	94.2 Å²	94.2	51%	0.508	49%	0.487	S	S	.	.	H	α-helix	trans	-64.7	-43.5	173.6	-69	163.8	0	0	0	110.6	L170 E171 K172 Q177 T178	L170-I174 WeakPolarHBondContact O-CG1 3.49Å; L170-I174 PolarHBondContact O-N 3.36Å; E171-I174 PolarHBondContact O-N 2.89Å; K172-I174 VanDerWaalsContact C-N 3.3Å; K172-I174 PolarHBondContact O-N 3.2Å; I174-Q177 PolarHBondContact O-N 2.83Å; I174-T178 WeakPolarHBondContact O-CB 3.45Å; I174-T178 PolarHBondContact O-N 3.23Å; I174-T178 PolarHBondContact O-OG1 2.83Å; I174-T178 VanDerWaalsContact O-OG1 3.08Å
175	L	97.7	Very high	97	Very high	123 Å²	123	97.5 Å²	97.5	64%	0.644	50%	0.496	S	S	*	.	H	α-helix	trans	-62.6	-45.5	177.1	-174.5	67.3	0	0	0	112.2	E171 K172 T178 S179	E171-L175 PolarHBondContact O-N 2.71Å; K172-L175 PolarHBondContact O-N 2.66Å; L175-T178 PolarHBondContact O-N 3.04Å; L175-S179 PolarHBondContact O-N 2.95Å
176	D	96.6	Very high	96.9	Very high	88 Å²	88	97.3 Å²	97.3	47%	0.471	50%	0.495	S	S	.	.	H	α-helix	trans	-62	-41.9	176.5	-71.1	-28.3	0	0	0	110.9	K172 S179 E180	K172-D176 PolarHBondContact O-N 2.85Å; D176-S179 WeakPolarHBondContact O-CB 3.36Å; D176-S179 PolarHBondContact O-N 2.91Å; D176-E180 PolarHBondContact O-N 2.85Å
177	Q	97.3	Very high	96.9	Very high	129 Å²	129	100 Å²	100	60%	0.603	50%	0.5	S	S	*	.	H	α-helix	trans	-65.6	-43.8	175.3	-77	177.8	-11.4	0	0	112.9	Q173 I174 S179 E180 I181	Q173-Q177 WeakPolarHBondContact O-CB 3.36Å; Q173-Q177 VanDerWaalsContact O-CG 3.27Å; Q173-Q177 WeakPolarHBondContact O-CG 3.16Å; Q173-Q177 PolarHBondContact O-N 2.81Å; I174-Q177 PolarHBondContact O-N 2.83Å; Q177-S179 VanDerWaalsContact C-N 3.25Å; Q177-S179 PolarHBondContact O-N 2.83Å; Q177-E180 PolarHBondContact O-N 2.84Å; Q177-I181 WeakPolarHBondContact O-CG1 3.43Å; Q177-I181 PolarHBondContact O-N 2.88Å
178	T	97.6	Very high	96.8	Very high	65 Å²	65	100.9 Å²	100.9	40%	0.399	50%	0.502	S	S	.	.	H	α-helix	trans	-61	-35.9	174.9	-64.8	0	0	0	0	111.4	I174 L175 I181 N182	I174-T178 WeakPolarHBondContact O-CB 3.45Å; I174-T178 PolarHBondContact O-N 3.23Å; I174-T178 PolarHBondContact O-OG1 2.83Å; I174-T178 VanDerWaalsContact O-OG1 3.08Å; L175-T178 PolarHBondContact O-N 3.04Å; T178-I181 PolarHBondContact O-N 2.76Å; T178-N182 VanDerWaalsContact O-CG 3.29Å; T178-N182 PolarHBondContact O-N 3.44Å; T178-N182 PolarHBondContact O-ND2 2.98Å
179	S	97.2	Very high	96.8	Very high	52 Å²	52	98.5 Å²	98.5	36%	0.364	49%	0.492	S	S	.	.	H	α-helix	trans	-61.5	-44.8	173.6	-167.6	0	0	0	0	112.3	L175 D176 Q177 K183	L175-S179 PolarHBondContact O-N 2.95Å; D176-S179 WeakPolarHBondContact O-CB 3.36Å; D176-S179 PolarHBondContact O-N 2.91Å; Q177-S179 VanDerWaalsContact C-N 3.25Å; Q177-S179 PolarHBondContact O-N 2.83Å; S179-K183 WeakPolarHBondContact O-CE 3.38Å; S179-K183 VanDerWaalsContact O-CG 3.3Å; S179-K183 WeakPolarHBondContact O-CG 3.47Å; S179-K183 PolarHBondContact O-N 3.23Å; S179-K183 VanDerWaalsContact OG-CE 3.25Å; S179-K183 WeakPolarHBondContact OG-CE 3.47Å; S179-K183 PolarHBondContact OG-NZ 3.34Å
180	E	96.9	Very high	96.8	Very high	90 Å²	90	98.6 Å²	98.6	42%	0.421	49%	0.493	S	S	.	.	H	α-helix	trans	-69.9	-37.2	176	-73	-55.1	133.8	0	0	113.1	D176 Q177 N182 K183 L184	D176-E180 PolarHBondContact O-N 2.85Å; Q177-E180 PolarHBondContact O-N 2.84Å; E180-N182 VanDerWaalsContact C-N 3.33Å; E180-N182 PolarHBondContact O-N 2.98Å; E180-K183 PolarHBondContact O-N 3.34Å; E180-K183 WeakPolarHBondContact OE1-CD 3.39Å; E180-K183 IonicContact OE1-NZ 2.72Å; E180-K183 PolarHBondContact OE1-NZ 2.71Å; E180-L184 VanDerWaalsContact O-CG 3.31Å; E180-L184 WeakPolarHBondContact O-CG 3.5Å; E180-L184 PolarHBondContact O-N 3.05Å
181	I	96.8	Very high	96.8	Very high	99 Å²	99	98.6 Å²	98.6	51%	0.508	49%	0.493	S	S	.	.	H	α-helix	trans	-58.5	-45.8	174.6	-71.3	165.9	0	0	0	110.6	Q177 T178 K183 L184 Q185	Q177-I181 WeakPolarHBondContact O-CG1 3.43Å; Q177-I181 PolarHBondContact O-N 2.88Å; T178-I181 PolarHBondContact O-N 2.76Å; I181-K183 PolarHBondContact O-N 3.47Å; I181-L184 PolarHBondContact O-N 3.15Å; I181-Q185 WeakPolarHBondContact O-CB 3.39Å; I181-Q185 PolarHBondContact O-N 3.03Å
182	N	96	Very high	96.7	Very high	84 Å²	84	98.9 Å²	98.9	45%	0.449	50%	0.495	S	S	.	.	H	α-helix	trans	-61.1	-45.8	176.4	-68.6	-18.3	0	0	0	111.7	T178 E180 L184 Q185 D186	T178-N182 VanDerWaalsContact O-CG 3.29Å; T178-N182 PolarHBondContact O-N 3.44Å; T178-N182 PolarHBondContact O-ND2 2.98Å; E180-N182 VanDerWaalsContact C-N 3.33Å; E180-N182 PolarHBondContact O-N 2.98Å; N182-L184 VanDerWaalsContact C-N 3.26Å; N182-L184 PolarHBondContact O-N 3.44Å; N182-Q185 PolarHBondContact O-N 3.18Å; N182-Q185 VanDerWaalsContact O-N 3.12Å; N182-D186 PolarHBondContact O-N 3.33Å
183	K	96.9	Very high	96.7	Very high	85 Å²	85	99.1 Å²	99.1	37%	0.37	50%	0.495	S	S	.	.	H	α-helix	trans	-61.5	-31.9	175.9	-66.5	166.5	-152.4	167	0	113	S179 E180 I181 K187	S179-K183 WeakPolarHBondContact O-CE 3.38Å; S179-K183 VanDerWaalsContact O-CG 3.3Å; S179-K183 WeakPolarHBondContact O-CG 3.47Å; S179-K183 PolarHBondContact O-N 3.23Å; S179-K183 VanDerWaalsContact OG-CE 3.25Å; S179-K183 WeakPolarHBondContact OG-CE 3.47Å; S179-K183 PolarHBondContact OG-NZ 3.34Å; E180-K183 PolarHBondContact O-N 3.34Å; E180-K183 WeakPolarHBondContact OE1-CD 3.39Å; E180-K183 IonicContact OE1-NZ 2.72Å; E180-K183 PolarHBondContact OE1-NZ 2.71Å; I181-K183 PolarHBondContact O-N 3.47Å; K183-K187 VanDerWaalsContact O-CD 3.28Å; K183-K187 WeakPolarHBondContact O-CD 3.48Å; K183-K187 WeakPolarHBondContact O-CG 3.34Å; K183-K187 PolarHBondContact O-N 2.99Å
184	L	95.8	Very high	96.7	Very high	91 Å²	91	99.8 Å²	99.8	48%	0.476	50%	0.497	S	S	.	.	H	α-helix	trans	-75.1	-38.3	174.5	-70.5	170.2	0	0	0	111.4	E180 I181 N182 K187 N188	E180-L184 VanDerWaalsContact O-CG 3.31Å; E180-L184 WeakPolarHBondContact O-CG 3.5Å; E180-L184 PolarHBondContact O-N 3.05Å; I181-L184 PolarHBondContact O-N 3.15Å; N182-L184 VanDerWaalsContact C-N 3.26Å; N182-L184 PolarHBondContact O-N 3.44Å; L184-K187 PolarHBondContact O-N 3.32Å; L184-N188 WeakPolarHBondContact O-CB 3.5Å; L184-N188 VanDerWaalsContact O-CG 3.25Å; L184-N188 PolarHBondContact O-N 2.96Å; L184-N188 PolarHBondContact O-OD1 2.93Å
185	Q	96.6	Very high	96.6	Very high	129 Å²	129	98.1 Å²	98.1	60%	0.603	49%	0.491	S	S	*	.	H	α-helix	trans	-64.4	-42.3	176	-173.6	170.1	-21.4	0	0	112	I181 N182 N188 S189	I181-Q185 WeakPolarHBondContact O-CB 3.39Å; I181-Q185 PolarHBondContact O-N 3.03Å; N182-Q185 PolarHBondContact O-N 3.18Å; N182-Q185 VanDerWaalsContact O-N 3.12Å; Q185-N188 PolarHBondContact O-N 2.89Å; Q185-S189 PolarHBondContact O-N 3.03Å
186	D	96.6	Very high	96.5	Very high	118 Å²	118	97 Å²	97	63%	0.631	49%	0.485	S	S	*	.	H	α-helix	trans	-60.4	-45.4	173.1	-72	-31.6	0	0	0	111.9	N182 S189 F190	N182-D186 PolarHBondContact O-N 3.33Å; D186-S189 PolarHBondContact O-N 3.25Å; D186-F190 PolarHBondContact O-N 2.93Å
187	K	96.2	Very high	96.5	Very high	115 Å²	115	95.7 Å²	95.7	50%	0.5	49%	0.487	S	S	.	.	H	α-helix	trans	-62.5	-41.6	176.2	-73.5	166.6	-170.4	168.7	0	111.8	K183 L184 F190 L191	K183-K187 VanDerWaalsContact O-CD 3.28Å; K183-K187 WeakPolarHBondContact O-CD 3.48Å; K183-K187 WeakPolarHBondContact O-CG 3.34Å; K183-K187 PolarHBondContact O-N 2.99Å; L184-K187 PolarHBondContact O-N 3.32Å; K187-F190 PolarHBondContact O-N 3.47Å; K187-L191 WeakPolarHBondContact O-CB 3.17Å; K187-L191 VanDerWaalsContact O-CG 3.29Å; K187-L191 WeakPolarHBondContact O-CG 3.17Å; K187-L191 PolarHBondContact O-N 3.5Å
188	N	94.6	Very high	96.4	Very high	88 Å²	88	93.9 Å²	93.9	47%	0.471	48%	0.48	S	S	.	.	H	α-helix	trans	-63.7	-46.9	176.6	-73.3	-6.1	0	0	0	111	L184 Q185 F190 L191 E192	L184-N188 WeakPolarHBondContact O-CB 3.5Å; L184-N188 VanDerWaalsContact O-CG 3.25Å; L184-N188 PolarHBondContact O-N 2.96Å; L184-N188 PolarHBondContact O-OD1 2.93Å; Q185-N188 PolarHBondContact O-N 2.89Å; N188-F190 VanDerWaalsContact C-N 3.27Å; N188-F190 PolarHBondContact O-N 3.44Å; N188-L191 PolarHBondContact O-N 3.49Å; N188-E192 WeakPolarHBondContact O-CG 3.37Å; N188-E192 PolarHBondContact O-N 2.68Å
189	S	97.5	Very high	96.3	Very high	41 Å²	41	95.8 Å²	95.8	29%	0.287	48%	0.484	S	S	.	.	H	α-helix	trans	-61.8	-34	176.9	-170.4	0	0	0	0	113	Q185 D186 K193	Q185-S189 PolarHBondContact O-N 3.03Å; D186-S189 PolarHBondContact O-N 3.25Å; S189-K193 WeakPolarHBondContact O-CD 3.32Å; S189-K193 VanDerWaalsContact O-CG 3.29Å; S189-K193 WeakPolarHBondContact O-CG 3.5Å; S189-K193 PolarHBondContact O-N 2.84Å; S189-K193 PolarHBondContact OG-NZ 3.12Å
190	F	96.7	Very high	96.3	Very high	137 Å²	137	98.1 Å²	98.1	60%	0.601	49%	0.492	S	S	*	.	H	α-helix	trans	-67.5	-43.1	171.6	176.5	-97.6	0	0	0	112.4	D186 K187 N188 K193 K194	D186-F190 PolarHBondContact O-N 2.93Å; K187-F190 PolarHBondContact O-N 3.47Å; N188-F190 VanDerWaalsContact C-N 3.27Å; N188-F190 PolarHBondContact O-N 3.44Å; F190-K193 PolarHBondContact O-N 3.1Å; F190-K194 WeakPolarHBondContact O-CB 3.45Å; F190-K194 PolarHBondContact O-N 3.26Å
191	L	95.9	Very high	96.2	Very high	93 Å²	93	100 Å²	100	49%	0.487	50%	0.499	S	S	.	.	H	α-helix	trans	-66.4	-41.6	178	-72.2	170.8	0	0	0	112.2	K187 N188 K194 V195	K187-L191 WeakPolarHBondContact O-CB 3.17Å; K187-L191 VanDerWaalsContact O-CG 3.29Å; K187-L191 WeakPolarHBondContact O-CG 3.17Å; K187-L191 PolarHBondContact O-N 3.5Å; N188-L191 PolarHBondContact O-N 3.49Å; L191-K194 CarbonylContact O-C 3.58Å; L191-K194 PolarHBondContact O-N 3.13Å; L191-K194 VanDerWaalsContact O-N 3.15Å; L191-V195 WeakPolarHBondContact O-CG2 3.3Å; L191-V195 PolarHBondContact O-N 2.82Å
192	E	96.3	Very high	96.1	Very high	120 Å²	120	100.9 Å²	100.9	56%	0.561	50%	0.501	S	S	*	.	H	α-helix	trans	-56.7	-50.1	174.1	-73.4	164.7	180	0	0	111.4	N188 K194 V195 L196	N188-E192 WeakPolarHBondContact O-CG 3.37Å; N188-E192 PolarHBondContact O-N 2.68Å; E192-K194 VanDerWaalsContact C-N 3.27Å; E192-K194 PolarHBondContact O-N 2.57Å; E192-V195 PolarHBondContact O-N 2.93Å; E192-V195 VanDerWaalsContact O-N 3.15Å; E192-L196 WeakPolarHBondContact O-CG 3.33Å; E192-L196 PolarHBondContact O-N 3.03Å
193	K	97.4	Very high	96.1	Very high	137 Å²	137	102 Å²	102	60%	0.596	51%	0.506	S	S	*	.	H	α-helix	trans	-60.1	-37	175.5	-70.9	166.4	-172.3	163.7	0	112.3	S189 F190 A197	S189-K193 WeakPolarHBondContact O-CD 3.32Å; S189-K193 VanDerWaalsContact O-CG 3.29Å; S189-K193 WeakPolarHBondContact O-CG 3.5Å; S189-K193 PolarHBondContact O-N 2.84Å; S189-K193 PolarHBondContact OG-NZ 3.12Å; F190-K193 PolarHBondContact O-N 3.1Å; K193-A197 WeakPolarHBondContact O-CB 3.22Å; K193-A197 PolarHBondContact O-N 2.97Å
194	K	96.4	Very high	96	Very high	113 Å²	113	103.8 Å²	103.8	49%	0.491	52%	0.518	S	S	.	.	H	α-helix	trans	-70.7	-36.5	176	-170.1	-179	177.4	-173.7	0	112.2	F190 L191 E192 M198	F190-K194 WeakPolarHBondContact O-CB 3.45Å; F190-K194 PolarHBondContact O-N 3.26Å; L191-K194 CarbonylContact O-C 3.58Å; L191-K194 PolarHBondContact O-N 3.13Å; L191-K194 VanDerWaalsContact O-N 3.15Å; E192-K194 VanDerWaalsContact C-N 3.27Å; E192-K194 PolarHBondContact O-N 2.57Å; K194-M198 HydrophobicContact CG-CE 4.44Å; K194-M198 VanDerWaalsContact O-CG 3.3Å; K194-M198 WeakPolarHBondContact O-CG 3.47Å; K194-M198 PolarHBondContact O-N 2.71Å; K194-M198 VanDerWaalsContact O-N 3.13Å
195	V	95.4	Very high	96	Very high	63 Å²	63	103.9 Å²	103.9	38%	0.382	52%	0.516	S	S	.	.	H	α-helix	trans	-64.3	-51.2	175.4	168.5	0	0	0	0	110.2	L191 E192 A197 M198 E199	L191-V195 WeakPolarHBondContact O-CG2 3.3Å; L191-V195 PolarHBondContact O-N 2.82Å; E192-V195 PolarHBondContact O-N 2.93Å; E192-V195 VanDerWaalsContact O-N 3.15Å; V195-A197 VanDerWaalsContact C-N 3.33Å; V195-A197 PolarHBondContact O-N 3.12Å; V195-M198 HydrophobicContact CG2-CE 4.32Å; V195-M198 CarbonylContact O-C 3.56Å; V195-M198 WeakPolarHBondContact O-CA 3.45Å; V195-M198 WeakPolarHBondContact O-CB 3.36Å; V195-M198 PolarHBondContact O-N 3.06Å; V195-E199 HydrophobicContact CG1-CG 4.28Å; V195-E199 WeakPolarHBondContact O-CG 3.46Å; V195-E199 PolarHBondContact O-N 3.36Å
196	L	96.5	Very high	95.9	Very high	100 Å²	100	103.3 Å²	103.3	52%	0.524	52%	0.516	S	S	.	.	H	α-helix	trans	-54.3	-47.9	176.9	-68.6	168.5	0	0	0	111.8	E192 M198 E199 D200	E192-L196 WeakPolarHBondContact O-CG 3.33Å; E192-L196 PolarHBondContact O-N 3.03Å; L196-M198 PolarHBondContact O-N 3.03Å; L196-E199 PolarHBondContact O-N 2.71Å; L196-E199 VanDerWaalsContact O-N 3.09Å; L196-D200 PolarHBondContact O-N 3.14Å
197	A	96.5	Very high	95.9	Very high	61 Å²	61	103.1 Å²	103.1	50%	0.504	51%	0.512	S	S	.	.	H	α-helix	trans	-65.5	-21.7	177.6	0	0	0	0	0	114.4	K193 V195 K201	K193-A197 WeakPolarHBondContact O-CB 3.22Å; K193-A197 PolarHBondContact O-N 2.97Å; V195-A197 VanDerWaalsContact C-N 3.33Å; V195-A197 PolarHBondContact O-N 3.12Å; A197-K201 WeakPolarHBondContact O-CB 3.38Å
198	M	94.5	Very high	95.9	Very high	91 Å²	91	100.2 Å²	100.2	45%	0.448	51%	0.506	S	S	.	.	H	α-helix	trans	-83.4	-35.6	170.8	-70.5	-176	-52	0	0	111.8	K194 V195 L196 K201 H202	K194-M198 HydrophobicContact CG-CE 4.44Å; K194-M198 VanDerWaalsContact O-CG 3.3Å; K194-M198 WeakPolarHBondContact O-CG 3.47Å; K194-M198 PolarHBondContact O-N 2.71Å; K194-M198 VanDerWaalsContact O-N 3.13Å; V195-M198 HydrophobicContact CG2-CE 4.32Å; V195-M198 CarbonylContact O-C 3.56Å; V195-M198 WeakPolarHBondContact O-CA 3.45Å; V195-M198 WeakPolarHBondContact O-CB 3.36Å; V195-M198 PolarHBondContact O-N 3.06Å; L196-M198 PolarHBondContact O-N 3.03Å; M198-K201 PolarHBondContact O-N 3.27Å; M198-H202 WeakPolarHBondContact O-CB 3.17Å; M198-H202 PolarHBondContact O-CD2 3.06Å; M198-H202 PolarHBondContact O-N 3.35Å
199	E	95.8	Very high	95.9	Very high	105 Å²	105	101 Å²	101	49%	0.491	51%	0.509	S	S	.	.	H	α-helix	trans	-64.3	-47.7	174.6	-70.5	175.8	158.3	0	0	111	V195 L196 K201 H202 I203	V195-E199 HydrophobicContact CG1-CG 4.28Å; V195-E199 WeakPolarHBondContact O-CG 3.46Å; V195-E199 PolarHBondContact O-N 3.36Å; L196-E199 PolarHBondContact O-N 2.71Å; L196-E199 VanDerWaalsContact O-N 3.09Å; E199-K201 VanDerWaalsContact C-N 3.3Å; E199-K201 PolarHBondContact O-N 3.27Å; E199-H202 PolarHBondContact O-N 3.11Å; E199-H202 VanDerWaalsContact O-N 3.12Å; E199-I203 WeakPolarHBondContact O-CG1 3.3Å; E199-I203 PolarHBondContact O-N 2.68Å
200	D	96.4	Very high	95.8	Very high	101 Å²	101	105.1 Å²	105.1	54%	0.54	52%	0.522	S	S	.	.	H	α-helix	trans	-53.9	-46.3	172.5	-72.1	-31.5	0	0	0	111.6	L196 I203 I204	L196-D200 PolarHBondContact O-N 3.14Å; D200-I203 PolarHBondContact O-N 2.84Å; D200-I204 WeakPolarHBondContact O-CG1 3.22Å; D200-I204 PolarHBondContact O-N 2.91Å; D200-I204 VanDerWaalsContact O-N 3.15Å
201	K	95.6	Very high	95.8	Very high	130 Å²	130	103.4 Å²	103.4	57%	0.565	52%	0.516	S	S	*	.	H	α-helix	trans	-65.1	-40.7	177.9	-175.9	177.8	176.4	-177.8	0	112.2	A197 M198 E199 I204 Q205	A197-K201 WeakPolarHBondContact O-CB 3.38Å; M198-K201 PolarHBondContact O-N 3.27Å; E199-K201 VanDerWaalsContact C-N 3.3Å; E199-K201 PolarHBondContact O-N 3.27Å; K201-I204 PolarHBondContact O-N 2.83Å; K201-Q205 WeakPolarHBondContact O-CG 3.13Å; K201-Q205 PolarHBondContact O-N 3.46Å
202	H	93.8	Very high	95.8	Very high	117 Å²	117	103.9 Å²	103.9	54%	0.542	52%	0.515	S	S	.	.	H	α-helix	trans	-64.7	-38.6	176.4	-88.9	-127.7	0	0	0	111.8	M198 E199 Q205 L206	M198-H202 WeakPolarHBondContact O-CB 3.17Å; M198-H202 PolarHBondContact O-CD2 3.06Å; M198-H202 PolarHBondContact O-N 3.35Å; E199-H202 PolarHBondContact O-N 3.11Å; E199-H202 VanDerWaalsContact O-N 3.12Å; H202-Q205 PolarHBondContact O-N 2.9Å; H202-L206 WeakPolarHBondContact O-CB 3.35Å; H202-L206 VanDerWaalsContact O-CG 3.28Å; H202-L206 WeakPolarHBondContact O-CG 3.38Å; H202-L206 PolarHBondContact O-N 2.68Å
203	I	96.5	Very high	95.7	Very high	107 Å²	107	104.2 Å²	104.2	55%	0.549	52%	0.515	S	S	.	.	H	α-helix	trans	-60.4	-47.5	175.3	-69.2	163.1	0	0	0	110.4	E199 D200 Q205 L206 Q207	E199-I203 WeakPolarHBondContact O-CG1 3.3Å; E199-I203 PolarHBondContact O-N 2.68Å; D200-I203 PolarHBondContact O-N 2.84Å; I203-Q205 PolarHBondContact O-N 2.98Å; I203-L206 PolarHBondContact O-N 2.99Å; I203-Q207 PolarHBondContact O-N 2.89Å
204	I	96.1	Very high	95.6	Very high	122 Å²	122	101.3 Å²	101.3	63%	0.626	51%	0.506	S	S	*	.	H	α-helix	trans	-60.8	-44.6	176.8	-64.8	164.2	0	0	0	111.3	D200 K201 Q207 S208	D200-I204 WeakPolarHBondContact O-CG1 3.22Å; D200-I204 PolarHBondContact O-N 2.91Å; D200-I204 VanDerWaalsContact O-N 3.15Å; K201-I204 PolarHBondContact O-N 2.83Å; I204-Q207 PolarHBondContact O-N 3.03Å; I204-S208 PolarHBondContact O-N 3.38Å
205	Q	94.8	Very high	95.6	Very high	93 Å²	93	102.5 Å²	102.5	44%	0.435	51%	0.513	S	S	.	.	H	α-helix	trans	-65.8	-41.6	178.7	-72.2	-177.2	-64.3	0	0	112.8	K201 H202 I203 Q207 S208 I209	K201-Q205 WeakPolarHBondContact O-CG 3.13Å; K201-Q205 PolarHBondContact O-N 3.46Å; H202-Q205 PolarHBondContact O-N 2.9Å; I203-Q205 PolarHBondContact O-N 2.98Å; Q205-Q207 VanDerWaalsContact C-N 3.29Å; Q205-Q207 PolarHBondContact O-N 3.22Å; Q205-S208 PolarHBondContact O-N 3.15Å; Q205-I209 WeakPolarHBondContact O-CG1 3.18Å; Q205-I209 PolarHBondContact O-N 3.39Å
206	L	94.7	Very high	95.6	Very high	118 Å²	118	104.5 Å²	104.5	62%	0.618	52%	0.521	S	S	*	.	H	α-helix	trans	-63.5	-35.9	175.9	-75.3	169.5	0	0	0	112	H202 I203 K210	H202-L206 WeakPolarHBondContact O-CB 3.35Å; H202-L206 VanDerWaalsContact O-CG 3.28Å; H202-L206 WeakPolarHBondContact O-CG 3.38Å; H202-L206 PolarHBondContact O-N 2.68Å; I203-L206 PolarHBondContact O-N 2.99Å; L206-K210 WeakPolarHBondContact O-CB 3.43Å; L206-K210 PolarHBondContact O-N 3.36Å
207	Q	95.9	Very high	95.5	Very high	113 Å²	113	105 Å²	105	53%	0.528	52%	0.521	S	S	.	.	H	α-helix	trans	-69.2	-43.8	175	-176.6	162.5	-22.9	0	0	111.9	I203 I204 Q205 I209 K210 E211	I203-Q207 PolarHBondContact O-N 2.89Å; I204-Q207 PolarHBondContact O-N 3.03Å; Q205-Q207 VanDerWaalsContact C-N 3.29Å; Q205-Q207 PolarHBondContact O-N 3.22Å; Q207-I209 PolarHBondContact O-N 3.18Å; Q207-K210 WeakPolarHBondContact O-CB 3.48Å; Q207-K210 PolarHBondContact O-N 2.91Å; Q207-K210 VanDerWaalsContact O-N 3.15Å; Q207-E211 VanDerWaalsContact CG-OE1 3.29Å; Q207-E211 WeakPolarHBondContact CG-OE1 3.39Å; Q207-E211 PolarHBondContact NE2-OE1 3.34Å; Q207-E211 WeakPolarHBondContact O-CG 3.35Å; Q207-E211 PolarHBondContact O-N 2.82Å
208	S	96.1	Very high	95.5	Very high	55 Å²	55	107 Å²	107	39%	0.385	53%	0.527	S	S	.	.	H	α-helix	trans	-56.9	-47.9	173.8	-164.7	0	0	0	0	112	I204 Q205 K210 E211 E212	I204-S208 PolarHBondContact O-N 3.38Å; Q205-S208 PolarHBondContact O-N 3.15Å; S208-K210 VanDerWaalsContact C-N 3.27Å; S208-K210 PolarHBondContact O-N 3.16Å; S208-E211 PolarHBondContact O-N 3.08Å; S208-E212 WeakPolarHBondContact O-CG 3.36Å; S208-E212 PolarHBondContact O-N 3.05Å
209	I	94.7	Very high	95.5	Very high	103 Å²	103	107.2 Å²	107.2	53%	0.528	53%	0.529	S	S	.	.	H	α-helix	trans	-63.4	-34	178.6	-69.5	163.7	0	0	0	111.4	Q205 Q207 K213	Q205-I209 WeakPolarHBondContact O-CG1 3.18Å; Q205-I209 PolarHBondContact O-N 3.39Å; Q207-I209 PolarHBondContact O-N 3.18Å; I209-K213 VanDerWaalsContact O-CB 3.32Å; I209-K213 WeakPolarHBondContact O-CB 3.03Å; I209-K213 PolarHBondContact O-N 2.77Å
210	K	95.9	Very high	95.5	Very high	129 Å²	129	105.2 Å²	105.2	56%	0.561	52%	0.524	S	S	*	.	H	α-helix	trans	-67.5	-44.8	174.1	-173.8	-171.1	170.7	-166	0	111.4	L206 Q207 S208 E212 K213 D214	L206-K210 WeakPolarHBondContact O-CB 3.43Å; L206-K210 PolarHBondContact O-N 3.36Å; Q207-K210 WeakPolarHBondContact O-CB 3.48Å; Q207-K210 PolarHBondContact O-N 2.91Å; Q207-K210 VanDerWaalsContact O-N 3.15Å; S208-K210 VanDerWaalsContact C-N 3.27Å; S208-K210 PolarHBondContact O-N 3.16Å; K210-E212 PolarHBondContact O-N 3.18Å; K210-K213 WeakPolarHBondContact O-CB 3.33Å; K210-K213 PolarHBondContact O-N 2.85Å; K210-D214 WeakPolarHBondContact O-CB 3.29Å; K210-D214 VanDerWaalsContact O-CG 3.3Å; K210-D214 PolarHBondContact O-N 2.93Å
211	E	96.4	Very high	95.4	Very high	100 Å²	100	103.5 Å²	103.5	47%	0.467	52%	0.52	S	S	.	.	H	α-helix	trans	-64.2	-39.1	178.3	-70.2	171.8	-160.1	0	0	111.6	Q207 S208 D214 Q215	Q207-E211 VanDerWaalsContact CG-OE1 3.29Å; Q207-E211 WeakPolarHBondContact CG-OE1 3.39Å; Q207-E211 PolarHBondContact NE2-OE1 3.34Å; Q207-E211 WeakPolarHBondContact O-CG 3.35Å; Q207-E211 PolarHBondContact O-N 2.82Å; S208-E211 PolarHBondContact O-N 3.08Å; E211-D214 PolarHBondContact O-N 2.98Å; E211-Q215 VanDerWaalsContact O-CG 3.32Å; E211-Q215 WeakPolarHBondContact O-CG 3.5Å; E211-Q215 PolarHBondContact O-N 2.87Å; E211-Q215 VanDerWaalsContact O-N 3.1Å
212	E	95.6	Very high	95.4	Very high	104 Å²	104	103.9 Å²	103.9	49%	0.486	52%	0.522	S	S	.	.	H	α-helix	trans	-63.5	-44.8	170.7	-73.4	170.4	-153.9	0	0	112.4	S208 K210 D214 Q215 L216	S208-E212 WeakPolarHBondContact O-CG 3.36Å; S208-E212 PolarHBondContact O-N 3.05Å; K210-E212 PolarHBondContact O-N 3.18Å; E212-D214 PolarHBondContact O-N 2.83Å; E212-Q215 PolarHBondContact O-N 3.15Å; E212-L216 WeakPolarHBondContact O-CG 3.38Å; E212-L216 PolarHBondContact O-N 2.68Å
213	K	94.5	Very high	95.4	Very high	127 Å²	127	103.2 Å²	103.2	55%	0.552	52%	0.519	S	S	*	.	H	α-helix	trans	-59.1	-46.7	175.7	-179.9	-166.2	169.2	-170.1	0	111.3	I209 K210 Q215 L216 Q217	I209-K213 VanDerWaalsContact O-CB 3.32Å; I209-K213 WeakPolarHBondContact O-CB 3.03Å; I209-K213 PolarHBondContact O-N 2.77Å; K210-K213 WeakPolarHBondContact O-CB 3.33Å; K210-K213 PolarHBondContact O-N 2.85Å; K213-Q215 VanDerWaalsContact C-N 3.3Å; K213-Q215 PolarHBondContact O-N 2.94Å; K213-L216 PolarHBondContact O-N 2.84Å; K213-Q217 WeakPolarHBondContact O-CB 3.37Å; K213-Q217 PolarHBondContact O-N 2.88Å
214	D	96.1	Very high	95.2	Very high	76 Å²	76	102.1 Å²	102.1	41%	0.406	51%	0.514	S	S	.	.	H	α-helix	trans	-66.7	-33.9	-177.4	-68.5	-18.2	0	0	0	110.7	K210 E211 E212 V218	K210-D214 WeakPolarHBondContact O-CB 3.29Å; K210-D214 VanDerWaalsContact O-CG 3.3Å; K210-D214 PolarHBondContact O-N 2.93Å; E211-D214 PolarHBondContact O-N 2.98Å; E212-D214 PolarHBondContact O-N 2.83Å; D214-V218 WeakPolarHBondContact O-CG2 3.32Å; D214-V218 PolarHBondContact O-N 2.96Å
215	Q	96.1	Very high	95.1	Very high	138 Å²	138	99.7 Å²	99.7	65%	0.645	51%	0.508	S	S	*	.	H	α-helix	trans	-64.5	-46.1	169	-71.6	174	47.9	0	0	112.9	E211 E212 K213 Q217 V218 L219	E211-Q215 VanDerWaalsContact O-CG 3.32Å; E211-Q215 WeakPolarHBondContact O-CG 3.5Å; E211-Q215 PolarHBondContact O-N 2.87Å; E211-Q215 VanDerWaalsContact O-N 3.1Å; E212-Q215 PolarHBondContact O-N 3.15Å; K213-Q215 VanDerWaalsContact C-N 3.3Å; K213-Q215 PolarHBondContact O-N 2.94Å; Q215-Q217 VanDerWaalsContact C-N 3.32Å; Q215-Q217 PolarHBondContact O-N 3.26Å; Q215-V218 PolarHBondContact O-N 2.89Å; Q215-L219 PolarHBondContact O-N 2.69Å
216	L	94.3	Very high	95.2	Very high	105 Å²	105	99.1 Å²	99.1	55%	0.55	51%	0.507	S	S	.	.	H	α-helix	trans	-63.7	-37.1	177.1	-72.5	170.9	0	0	0	112	E212 K213 V218 L219 V220	E212-L216 WeakPolarHBondContact O-CG 3.38Å; E212-L216 PolarHBondContact O-N 2.68Å; K213-L216 PolarHBondContact O-N 2.84Å; L216-V218 VanDerWaalsContact C-N 3.31Å; L216-V218 PolarHBondContact O-N 3.29Å; L216-L219 WeakPolarHBondContact O-CB 3.5Å; L216-L219 PolarHBondContact O-N 3.17Å; L216-L219 VanDerWaalsContact O-N 3.16Å; L216-V220 WeakPolarHBondContact O-CG2 3.42Å; L216-V220 PolarHBondContact O-N 3.23Å
217	Q	95.2	Very high	95.1	Very high	111 Å²	111	97.4 Å²	97.4	52%	0.519	50%	0.497	S	S	.	.	H	α-helix	trans	-59.5	-42.2	175.1	-167.6	71.6	54.5	0	0	111	K213 Q215 S221	K213-Q217 WeakPolarHBondContact O-CB 3.37Å; K213-Q217 PolarHBondContact O-N 2.88Å; Q215-Q217 VanDerWaalsContact C-N 3.32Å; Q215-Q217 PolarHBondContact O-N 3.26Å; Q217-S221 WeakPolarHBondContact O-CB 3.48Å; Q217-S221 PolarHBondContact O-N 2.89Å; Q217-S221 PolarHBondContact O-OG 2.88Å
218	V	96.6	Very high	95	Very high	103 Å²	103	98.1 Å²	98.1	62%	0.624	50%	0.501	S	S	*	.	H	α-helix	trans	-66.4	-41.1	174.2	172.6	0	0	0	0	111.5	D214 Q215 L216 S221 K222	D214-V218 WeakPolarHBondContact O-CG2 3.32Å; D214-V218 PolarHBondContact O-N 2.96Å; Q215-V218 PolarHBondContact O-N 2.89Å; L216-V218 VanDerWaalsContact C-N 3.31Å; L216-V218 PolarHBondContact O-N 3.29Å; V218-S221 PolarHBondContact O-N 3.19Å; V218-K222 WeakPolarHBondContact O-CB 3.32Å; V218-K222 PolarHBondContact O-N 3.13Å
219	L	95.3	Very high	94.9	Very high	94 Å²	94	100.5 Å²	100.5	49%	0.492	51%	0.506	S	S	.	.	H	α-helix	trans	-62.4	-46.8	177.9	-165.3	79.8	0	0	0	112.1	Q215 L216 K222 Q223	Q215-L219 PolarHBondContact O-N 2.69Å; L216-L219 WeakPolarHBondContact O-CB 3.5Å; L216-L219 PolarHBondContact O-N 3.17Å; L216-L219 VanDerWaalsContact O-N 3.16Å; L219-K222 WeakPolarHBondContact O-CB 3.47Å; L219-K222 PolarHBondContact O-N 3.09Å; L219-Q223 PolarHBondContact O-N 2.87Å
220	V	94.9	Very high	94.8	Very high	64 Å²	64	99.8 Å²	99.8	39%	0.388	50%	0.503	S	S	.	.	H	α-helix	trans	-63.2	-42.8	176.7	171.3	0	0	0	0	110.8	L216 K222 Q223 N224	L216-V220 WeakPolarHBondContact O-CG2 3.42Å; L216-V220 PolarHBondContact O-N 3.23Å; V220-K222 VanDerWaalsContact C-N 3.27Å; V220-K222 PolarHBondContact O-N 2.95Å; V220-Q223 PolarHBondContact O-N 3.33Å; V220-Q223 VanDerWaalsContact O-N 3.13Å; V220-N224 VanDerWaalsContact O-CG 3.31Å; V220-N224 PolarHBondContact O-N 2.9Å; V220-N224 PolarHBondContact O-OD1 2.87Å
221	S	94.2	Very high	94.6	Very high	65 Å²	65	99.2 Å²	99.2	46%	0.455	50%	0.502	S	S	.	.	H	α-helix	trans	-59.3	-39.6	176.3	-56.4	0	0	0	0	111.7	Q217 V218 S225	Q217-S221 WeakPolarHBondContact O-CB 3.48Å; Q217-S221 PolarHBondContact O-N 2.89Å; Q217-S221 PolarHBondContact O-OG 2.88Å; V218-S221 PolarHBondContact O-N 3.19Å; S221-S225 PolarHBondContact O-N 3.12Å
222	K	95.4	Very high	94.4	Very high	138 Å²	138	102 Å²	102	60%	0.6	51%	0.512	S	S	*	.	H	α-helix	trans	-69.4	-39.3	174.3	-175	177.9	178.9	-178.8	0	112.7	V218 L219 V220 I226	V218-K222 WeakPolarHBondContact O-CB 3.32Å; V218-K222 PolarHBondContact O-N 3.13Å; L219-K222 WeakPolarHBondContact O-CB 3.47Å; L219-K222 PolarHBondContact O-N 3.09Å; V220-K222 VanDerWaalsContact C-N 3.27Å; V220-K222 PolarHBondContact O-N 2.95Å; K222-I226 HydrophobicContact CG-CD1 4.2Å; K222-I226 WeakPolarHBondContact O-CG1 3.46Å; K222-I226 PolarHBondContact O-N 2.87Å
223	Q	93.6	Very high	94.3	Very high	103 Å²	103	102.3 Å²	102.3	48%	0.481	51%	0.512	S	S	.	.	H	α-helix	trans	-63.4	-44.1	175.4	-77.2	-179.5	-21.5	0	0	111.8	L219 V220 S225 I226 I227	L219-Q223 PolarHBondContact O-N 2.87Å; V220-Q223 PolarHBondContact O-N 3.33Å; V220-Q223 VanDerWaalsContact O-N 3.13Å; Q223-S225 PolarHBondContact O-N 3.39Å; Q223-I226 PolarHBondContact O-N 3.34Å; Q223-I226 VanDerWaalsContact O-N 3.1Å; Q223-I227 WeakPolarHBondContact O-CG1 3.38Å; Q223-I227 PolarHBondContact O-N 3.38Å
224	N	93.6	Very high	94.1	Very high	83 Å²	83	101.4 Å²	101.4	44%	0.444	51%	0.512	S	S	.	.	H	α-helix	trans	-58	-46.3	177.7	-68.1	-2.6	0	0	0	111.7	V220 I226 I227 E228	V220-N224 VanDerWaalsContact O-CG 3.31Å; V220-N224 PolarHBondContact O-N 2.9Å; V220-N224 PolarHBondContact O-OD1 2.87Å; N224-I226 VanDerWaalsContact C-N 3.28Å; N224-I226 PolarHBondContact O-N 2.9Å; N224-I227 WeakPolarHBondContact O-CB 3.08Å; N224-I227 PolarHBondContact O-N 3.02Å; N224-I227 VanDerWaalsContact O-N 3.09Å; N224-E228 WeakPolarHBondContact O-CG 3.39Å; N224-E228 PolarHBondContact O-N 3.35Å
225	S	93.9	Very high	93.8	Very high	72 Å²	72	102.1 Å²	102.1	50%	0.503	52%	0.519	S	S	.	.	H	α-helix	trans	-61.5	-32.9	176.3	177	0	0	0	0	113.4	S221 Q223 E229	S221-S225 PolarHBondContact O-N 3.12Å; Q223-S225 PolarHBondContact O-N 3.39Å; S225-E229 PolarHBondContact O-N 2.72Å
226	I	95.4	Very high	93.4	Very high	81 Å²	81	99.2 Å²	99.2	42%	0.415	51%	0.511	S	S	.	.	H	α-helix	trans	-72.9	-38	174.1	-66.9	164.6	0	0	0	110.8	K222 Q223 N224 E229 L230	K222-I226 HydrophobicContact CG-CD1 4.2Å; K222-I226 WeakPolarHBondContact O-CG1 3.46Å; K222-I226 PolarHBondContact O-N 2.87Å; Q223-I226 PolarHBondContact O-N 3.34Å; Q223-I226 VanDerWaalsContact O-N 3.1Å; N224-I226 VanDerWaalsContact C-N 3.28Å; N224-I226 PolarHBondContact O-N 2.9Å; I226-E229 PolarHBondContact O-N 3.38Å; I226-L230 HydrophobicContact CG2-CD1 3.96Å; I226-L230 HydrophobicContact CG2-CG 4.4Å; I226-L230 WeakPolarHBondContact O-CB 3.29Å; I226-L230 VanDerWaalsContact O-CG 3.3Å; I226-L230 WeakPolarHBondContact O-CG 3.39Å; I226-L230 PolarHBondContact O-N 3.35Å
227	I	93.1	Very high	92.9	Very high	81 Å²	81	96.9 Å²	96.9	42%	0.415	51%	0.507	S	S	.	.	H	α-helix	trans	-63.3	-46.9	176	-68.4	163.1	0	0	0	110.3	Q223 N224 E229 L230 E231	Q223-I227 WeakPolarHBondContact O-CG1 3.38Å; Q223-I227 PolarHBondContact O-N 3.38Å; N224-I227 WeakPolarHBondContact O-CB 3.08Å; N224-I227 PolarHBondContact O-N 3.02Å; N224-I227 VanDerWaalsContact O-N 3.09Å; I227-E229 VanDerWaalsContact C-N 3.28Å; I227-E229 PolarHBondContact O-N 3.08Å; I227-L230 CarbonylContact O-C 3.59Å; I227-L230 PolarHBondContact O-N 2.88Å; I227-L230 VanDerWaalsContact O-N 3.07Å; I227-E231 HydrophobicContact CG2-CG 4.24Å; I227-E231 WeakPolarHBondContact O-CG 3.39Å; I227-E231 PolarHBondContact O-N 3.18Å
228	E	93.9	Very high	92.5	Very high	129 Å²	129	95.5 Å²	95.5	60%	0.603	51%	0.506	S	S	*	.	H	α-helix	trans	-56.1	-39.9	174.7	-70.9	171.9	-168.4	0	0	112.5	N224 K232	N224-E228 WeakPolarHBondContact O-CG 3.39Å; N224-E228 PolarHBondContact O-N 3.35Å; E228-K232 WeakPolarHBondContact O-CB 3.29Å; E228-K232 PolarHBondContact O-N 3.15Å; E228-K232 VanDerWaalsContact O-N 3.11Å
229	E	94.4	Very high	91.9	Very high	104 Å²	104	94.4 Å²	94.4	49%	0.486	50%	0.499	S	S	.	.	H	α-helix	trans	-69	-38.5	176.3	-156.2	-157.1	132.6	0	0	112.2	S225 I226 I227 K233	S225-E229 PolarHBondContact O-N 2.72Å; I226-E229 PolarHBondContact O-N 3.38Å; I227-E229 VanDerWaalsContact C-N 3.28Å; I227-E229 PolarHBondContact O-N 3.08Å; E229-K233 WeakPolarHBondContact O-CG 3.33Å; E229-K233 PolarHBondContact O-N 3.43Å; E229-K233 VanDerWaalsContact O-N 3.09Å; E229-K233 VanDerWaalsContact OE1-CE 3.23Å; E229-K233 WeakPolarHBondContact OE1-CE 3.24Å; E229-K233 IonicContact OE1-NZ 2.67Å; E229-K233 PolarHBondContact OE1-NZ 2.83Å
230	L	92.5	Very high	91.4	Very high	88 Å²	88	95.2 Å²	95.2	46%	0.461	50%	0.504	S	S	.	.	H	α-helix	trans	-70.7	-42	177	-72.5	172.1	0	0	0	112.1	I226 I227 K232 K233 I234	I226-L230 HydrophobicContact CG2-CD1 3.96Å; I226-L230 HydrophobicContact CG2-CG 4.4Å; I226-L230 WeakPolarHBondContact O-CB 3.29Å; I226-L230 VanDerWaalsContact O-CG 3.3Å; I226-L230 WeakPolarHBondContact O-CG 3.39Å; I226-L230 PolarHBondContact O-N 3.35Å; I227-L230 CarbonylContact O-C 3.59Å; I227-L230 PolarHBondContact O-N 2.88Å; I227-L230 VanDerWaalsContact O-N 3.07Å; L230-K232 VanDerWaalsContact C-N 3.34Å; L230-K232 PolarHBondContact O-N 2.67Å; L230-K233 CarbonylContact O-C 3.54Å; L230-K233 WeakPolarHBondContact O-CB 3.44Å; L230-K233 PolarHBondContact O-N 2.84Å; L230-K233 VanDerWaalsContact O-N 3.16Å; L230-I234 VanDerWaalsContact O-CG1 3.3Å; L230-I234 WeakPolarHBondContact O-CG1 3.35Å; L230-I234 PolarHBondContact O-N 2.87Å
231	E	91.9	Very high	90.7	Very high	117 Å²	117	96.3 Å²	96.3	55%	0.547	51%	0.508	S	S	.	.	H	α-helix	trans	-58	-47	172.8	-75	-177.1	168.9	0	0	110.7	I227 K233 I234 V235	I227-E231 HydrophobicContact CG2-CG 4.24Å; I227-E231 WeakPolarHBondContact O-CG 3.39Å; I227-E231 PolarHBondContact O-N 3.18Å; E231-K233 VanDerWaalsContact C-N 3.28Å; E231-K233 PolarHBondContact O-N 2.68Å; E231-I234 PolarHBondContact O-N 2.84Å; E231-I234 VanDerWaalsContact O-N 3.1Å; E231-V235 WeakPolarHBondContact O-CG2 3.5Å; E231-V235 PolarHBondContact O-N 3.43Å
232	K	92.6	Very high	90.1	Very high	158 Å²	158	96 Å²	96	69%	0.687	51%	0.506	S	S	*	.	H	α-helix	trans	-59.2	-38.1	175.8	-171.1	175.4	-177	176.3	0	112.6	E228 L230 T236	E228-K232 WeakPolarHBondContact O-CB 3.29Å; E228-K232 PolarHBondContact O-N 3.15Å; E228-K232 VanDerWaalsContact O-N 3.11Å; L230-K232 VanDerWaalsContact C-N 3.34Å; L230-K232 PolarHBondContact O-N 2.67Å; K232-T236 PolarHBondContact O-N 3.42Å; K232-T236 PolarHBondContact O-OG1 2.75Å
233	K	92.3	Very high	89.4	Confident	111 Å²	111	93.2 Å²	93.2	48%	0.483	50%	0.5	S	S	.	.	H	α-helix	trans	-69.7	-37.8	173.6	-77.7	166.2	167	169.6	0	112.8	E229 L230 E231 T236 A237	E229-K233 WeakPolarHBondContact O-CG 3.33Å; E229-K233 PolarHBondContact O-N 3.43Å; E229-K233 VanDerWaalsContact O-N 3.09Å; E229-K233 VanDerWaalsContact OE1-CE 3.23Å; E229-K233 WeakPolarHBondContact OE1-CE 3.24Å; E229-K233 IonicContact OE1-NZ 2.67Å; E229-K233 PolarHBondContact OE1-NZ 2.83Å; L230-K233 CarbonylContact O-C 3.54Å; L230-K233 WeakPolarHBondContact O-CB 3.44Å; L230-K233 PolarHBondContact O-N 2.84Å; L230-K233 VanDerWaalsContact O-N 3.16Å; E231-K233 VanDerWaalsContact C-N 3.28Å; E231-K233 PolarHBondContact O-N 2.68Å; K233-T236 PolarHBondContact O-OG1 2.82Å; K233-T236 VanDerWaalsContact O-OG1 3.11Å; K233-A237 VanDerWaalsContact O-CB 3.25Å; K233-A237 WeakPolarHBondContact O-CB 3.33Å; K233-A237 PolarHBondContact O-N 2.64Å
234	I	90.4	Very high	88.7	Confident	108 Å²	108	93 Å²	93	55%	0.554	50%	0.502	S	S	*	.	H	α-helix	trans	-67	-42.2	176.3	-71.7	164.4	0	0	0	110.3	L230 E231 A237 T238	L230-I234 VanDerWaalsContact O-CG1 3.3Å; L230-I234 WeakPolarHBondContact O-CG1 3.35Å; L230-I234 PolarHBondContact O-N 2.87Å; E231-I234 PolarHBondContact O-N 2.84Å; E231-I234 VanDerWaalsContact O-N 3.1Å; I234-A237 PolarHBondContact O-N 2.98Å; I234-T238 VanDerWaalsContact O-CB 3.27Å; I234-T238 WeakPolarHBondContact O-CB 3.49Å; I234-T238 PolarHBondContact O-N 3.44Å; I234-T238 PolarHBondContact O-OG1 2.97Å
235	V	90.5	Very high	87.9	Confident	92 Å²	92	94.5 Å²	94.5	56%	0.558	51%	0.506	S	S	*	.	H	α-helix	trans	-62.3	-46.9	176.5	172.6	0	0	0	0	111.2	E231 T238 V239	E231-V235 WeakPolarHBondContact O-CG2 3.5Å; E231-V235 PolarHBondContact O-N 3.43Å; V235-T238 PolarHBondContact O-N 3.09Å; V235-V239 WeakPolarHBondContact O-CG2 3.16Å; V235-V239 PolarHBondContact O-N 2.94Å
236	T	86.9	Confident	87.4	Confident	77 Å²	77	97.4 Å²	97.4	47%	0.472	51%	0.51	S	S	.	.	H	α-helix	trans	-66.9	-38.3	177.4	55.6	0	0	0	0	112.6	K232 K233 T238 V239 N240	K232-T236 PolarHBondContact O-N 3.42Å; K232-T236 PolarHBondContact O-OG1 2.75Å; K233-T236 PolarHBondContact O-OG1 2.82Å; K233-T236 VanDerWaalsContact O-OG1 3.11Å; T236-T238 VanDerWaalsContact C-N 3.32Å; T236-T238 PolarHBondContact O-N 2.82Å; T236-V239 PolarHBondContact O-N 3.31Å; T236-N240 WeakPolarHBondContact O-CB 3.35Å; T236-N240 VanDerWaalsContact O-CG 3.24Å; T236-N240 PolarHBondContact O-N 3.14Å; T236-N240 PolarHBondContact O-ND2 3.43Å
237	A	85	Confident	86.7	Confident	55 Å²	55	99.3 Å²	99.3	46%	0.455	52%	0.517	S	S	.	.	H	α-helix	trans	-62.4	-38.8	172.2	0	0	0	0	0	112.2	K233 I234 N240 N241	K233-A237 VanDerWaalsContact O-CB 3.25Å; K233-A237 WeakPolarHBondContact O-CB 3.33Å; K233-A237 PolarHBondContact O-N 2.64Å; I234-A237 PolarHBondContact O-N 2.98Å; A237-N240 PolarHBondContact O-N 2.97Å; A237-N241 VanDerWaalsContact O-CB 3.3Å; A237-N241 WeakPolarHBondContact O-CB 3.44Å; A237-N241 PolarHBondContact O-N 3.07Å
238	T	86.7	Confident	86	Confident	83 Å²	83	101.3 Å²	101.3	51%	0.509	52%	0.524	S	S	.	.	H	α-helix	trans	-68.9	-40	178.8	-58.6	0	0	0	0	111.7	I234 V235 T236 N241 S242	I234-T238 VanDerWaalsContact O-CB 3.27Å; I234-T238 WeakPolarHBondContact O-CB 3.49Å; I234-T238 PolarHBondContact O-N 3.44Å; I234-T238 PolarHBondContact O-OG1 2.97Å; V235-T238 PolarHBondContact O-N 3.09Å; T236-T238 VanDerWaalsContact C-N 3.32Å; T236-T238 PolarHBondContact O-N 2.82Å; T238-N241 PolarHBondContact O-N 3.07Å; T238-S242 PolarHBondContact O-N 2.87Å; T238-S242 PolarHBondContact O-OG 2.87Å
239	V	84.2	Confident	85.3	Confident	79 Å²	79	100.7 Å²	100.7	48%	0.479	52%	0.521	S	S	.	.	H	α-helix	trans	-65.1	-42.4	173.1	171.7	0	0	0	0	111.3	V235 T236 N241 S242 V243	V235-V239 WeakPolarHBondContact O-CG2 3.16Å; V235-V239 PolarHBondContact O-N 2.94Å; T236-V239 PolarHBondContact O-N 3.31Å; V239-N241 VanDerWaalsContact C-N 3.31Å; V239-N241 PolarHBondContact O-N 3.14Å; V239-S242 PolarHBondContact O-N 2.97Å; V239-S242 PolarHBondContact O-OG 3.48Å; V239-S242 VanDerWaalsContact O-OG 3.07Å; V239-V243 WeakPolarHBondContact O-CG2 3.2Å; V239-V243 PolarHBondContact O-N 2.9Å
240	N	83.9	Confident	84.6	Confident	111 Å²	111	99.1 Å²	99.1	59%	0.594	52%	0.516	S	S	*	.	H	α-helix	trans	-63.9	-38.2	174.8	-69.1	-17	0	0	0	111.6	T236 A237 V243 L244	T236-N240 WeakPolarHBondContact O-CB 3.35Å; T236-N240 VanDerWaalsContact O-CG 3.24Å; T236-N240 PolarHBondContact O-N 3.14Å; T236-N240 PolarHBondContact O-ND2 3.43Å; A237-N240 PolarHBondContact O-N 2.97Å; N240-V243 PolarHBondContact O-N 2.83Å; N240-L244 WeakPolarHBondContact O-CB 3.12Å; N240-L244 PolarHBondContact O-N 2.88Å
241	N	80.5	Confident	83.8	Confident	88 Å²	88	100.4 Å²	100.4	47%	0.471	52%	0.523	S	S	.	.	H	α-helix	trans	-71.7	-34	177.5	-163.2	19.7	0	0	0	112.3	A237 T238 V239 L244 Q245	A237-N241 VanDerWaalsContact O-CB 3.3Å; A237-N241 WeakPolarHBondContact O-CB 3.44Å; A237-N241 PolarHBondContact O-N 3.07Å; T238-N241 PolarHBondContact O-N 3.07Å; V239-N241 VanDerWaalsContact C-N 3.31Å; V239-N241 PolarHBondContact O-N 3.14Å; N241-L244 PolarHBondContact O-N 3.42Å; N241-Q245 WeakPolarHBondContact O-CB 3.19Å; N241-Q245 WeakPolarHBondContact O-CG 3.34Å; N241-Q245 PolarHBondContact O-N 2.96Å
242	S	80.9	Confident	82.8	Confident	59 Å²	59	100.4 Å²	100.4	41%	0.413	52%	0.524	S	S	.	.	H	α-helix	trans	-72.8	-31.3	174.3	69.1	0	0	0	0	112.4	T238 V239 K246	T238-S242 PolarHBondContact O-N 2.87Å; T238-S242 PolarHBondContact O-OG 2.87Å; V239-S242 PolarHBondContact O-N 2.97Å; V239-S242 PolarHBondContact O-OG 3.48Å; V239-S242 VanDerWaalsContact O-OG 3.07Å; S242-K246 WeakPolarHBondContact O-CB 3.35Å; S242-K246 PolarHBondContact O-N 2.99Å
243	V	81.7	Confident	81.9	Confident	78 Å²	78	97.6 Å²	97.6	47%	0.473	51%	0.514	S	S	.	.	H	α-helix	trans	-64.9	-43.1	166.9	171.4	0	0	0	0	111	V239 N240 K246 Q247	V239-V243 WeakPolarHBondContact O-CG2 3.2Å; V239-V243 PolarHBondContact O-N 2.9Å; N240-V243 PolarHBondContact O-N 2.83Å; V243-K246 PolarHBondContact O-N 3.24Å; V243-Q247 WeakPolarHBondContact O-CG 3.18Å; V243-Q247 PolarHBondContact O-N 3.1Å
244	L	78.4	Confident	81	Confident	100 Å²	100	96.1 Å²	96.1	52%	0.524	51%	0.514	S	S	.	.	H	α-helix	trans	-66	-41.7	176.5	-170.4	70.3	0	0	0	112.1	N240 N241 K246 Q247 Q248	N240-L244 WeakPolarHBondContact O-CB 3.12Å; N240-L244 PolarHBondContact O-N 2.88Å; N241-L244 PolarHBondContact O-N 3.42Å; L244-K246 VanDerWaalsContact C-N 3.3Å; L244-K246 PolarHBondContact O-N 3.25Å; L244-Q247 PolarHBondContact O-N 2.8Å; L244-Q248 WeakPolarHBondContact O-CB 3.36Å; L244-Q248 PolarHBondContact O-N 3.1Å
245	Q	77.1	Confident	80.1	Confident	113 Å²	113	94.9 Å²	94.9	53%	0.528	51%	0.511	S	S	.	.	H	α-helix	trans	-62.5	-36.3	171.9	-79.3	-176.8	-29.4	0	0	111.7	N241 Q248 H249	N241-Q245 WeakPolarHBondContact O-CB 3.19Å; N241-Q245 WeakPolarHBondContact O-CG 3.34Å; N241-Q245 PolarHBondContact O-N 2.96Å; Q245-Q248 CarbonylContact O-C 3.51Å; Q245-Q248 PolarHBondContact O-N 2.78Å; Q245-H249 VanDerWaalsContact O-CB 3.32Å; Q245-H249 WeakPolarHBondContact O-CB 3.32Å; Q245-H249 PolarHBondContact O-N 3.27Å
246	K	82.2	Confident	78.9	Confident	134 Å²	134	94 Å²	94	58%	0.583	50%	0.504	S	S	*	.	H	α-helix	trans	-65.8	-48.1	172.9	-171.9	179.5	177.2	-176.9	0	111.1	S242 V243 L244 Q248 H249 D250	S242-K246 WeakPolarHBondContact O-CB 3.35Å; S242-K246 PolarHBondContact O-N 2.99Å; V243-K246 PolarHBondContact O-N 3.24Å; L244-K246 VanDerWaalsContact C-N 3.3Å; L244-K246 PolarHBondContact O-N 3.25Å; K246-Q248 PolarHBondContact O-N 2.86Å; K246-H249 CarbonylContact O-C 3.5Å; K246-H249 WeakPolarHBondContact O-CA 3.3Å; K246-H249 WeakPolarHBondContact O-CB 3.3Å; K246-H249 PolarHBondContact O-N 3.11Å; K246-D250 PolarHBondContact O-N 2.92Å
247	Q	81.4	Confident	77.8	Confident	120 Å²	120	94.6 Å²	94.6	56%	0.561	50%	0.504	S	S	*	.	H	α-helix	trans	-58	-38.9	173.9	-71.7	179.4	-33.2	0	0	112	V243 L244 L251	V243-Q247 WeakPolarHBondContact O-CG 3.18Å; V243-Q247 PolarHBondContact O-N 3.1Å; L244-Q247 PolarHBondContact O-N 2.8Å; Q247-L251 VanDerWaalsContact O-CB 3.31Å; Q247-L251 WeakPolarHBondContact O-CB 3.45Å; Q247-L251 PolarHBondContact O-N 2.86Å
248	Q	78.1	Confident	76.6	Confident	123 Å²	123	97.6 Å²	97.6	58%	0.575	51%	0.512	S	S	*	.	H	α-helix	trans	-66.4	-37.2	174	-171	178.9	8.9	0	0	111.6	L244 Q245 K246 L251 M252	L244-Q248 WeakPolarHBondContact O-CB 3.36Å; L244-Q248 PolarHBondContact O-N 3.1Å; Q245-Q248 CarbonylContact O-C 3.51Å; Q245-Q248 PolarHBondContact O-N 2.78Å; K246-Q248 PolarHBondContact O-N 2.86Å; Q248-L251 PolarHBondContact O-N 2.63Å; Q248-M252 VanDerWaalsContact O-CB 3.3Å; Q248-M252 WeakPolarHBondContact O-CB 3.31Å; Q248-M252 PolarHBondContact O-N 3.18Å
249	H	79.8	Confident	74.9	Confident	117 Å²	117	98.1 Å²	98.1	54%	0.542	51%	0.511	S	S	.	.	H	α-helix	trans	-70	-44.4	175.7	-170.3	80.3	0	0	0	111.9	Q245 K246 L251 M252 E253	Q245-H249 VanDerWaalsContact O-CB 3.32Å; Q245-H249 WeakPolarHBondContact O-CB 3.32Å; Q245-H249 PolarHBondContact O-N 3.27Å; K246-H249 CarbonylContact O-C 3.5Å; K246-H249 WeakPolarHBondContact O-CA 3.3Å; K246-H249 WeakPolarHBondContact O-CB 3.3Å; K246-H249 PolarHBondContact O-N 3.11Å; H249-L251 PolarHBondContact O-N 3.49Å; H249-M252 CarbonylContact O-C 3.57Å; H249-M252 WeakPolarHBondContact O-CA 3.32Å; H249-M252 PolarHBondContact O-N 3.29Å; H249-E253 WeakPolarHBondContact O-CB 3.24Å; H249-E253 PolarHBondContact O-N 2.58Å
250	D	79.1	Confident	73.1	Confident	70 Å²	70	99.1 Å²	99.1	37%	0.374	52%	0.517	S	S	.	.	H	α-helix	trans	-60.4	-36.2	174	-57.2	-16	0	0	0	110.4	K246 T254	K246-D250 PolarHBondContact O-N 2.92Å; D250-T254 PolarHBondContact O-N 3.34Å; D250-T254 PolarHBondContact O-OG1 2.93Å
251	L	76.4	Confident	71.4	Confident	116 Å²	116	101.5 Å²	101.5	61%	0.607	53%	0.527	S	S	*	.	H	α-helix	trans	-70.4	-38.4	171.5	-159.8	76.8	0	0	0	112.3	Q247 Q248 H249 E253 T254 V255	Q247-L251 VanDerWaalsContact O-CB 3.31Å; Q247-L251 WeakPolarHBondContact O-CB 3.45Å; Q247-L251 PolarHBondContact O-N 2.86Å; Q248-L251 PolarHBondContact O-N 2.63Å; H249-L251 PolarHBondContact O-N 3.49Å; L251-E253 VanDerWaalsContact C-N 3.34Å; L251-T254 WeakPolarHBondContact CA-OG1 3.27Å; L251-T254 PolarHBondContact O-OG1 2.76Å; L251-V255 WeakPolarHBondContact O-CB 3.46Å; L251-V255 VanDerWaalsContact O-CG2 3.27Å; L251-V255 WeakPolarHBondContact O-CG2 3.17Å; L251-V255 PolarHBondContact O-N 3.36Å
252	M	71.4	Confident	69.7	Low	116 Å²	116	104.8 Å²	104.8	57%	0.571	54%	0.541	S	S	*	.	H	α-helix	trans	-72.4	-28	176.3	-143.5	173.8	-156.5	0	0	112	Q248 H249 N256	Q248-M252 VanDerWaalsContact O-CB 3.3Å; Q248-M252 WeakPolarHBondContact O-CB 3.31Å; Q248-M252 PolarHBondContact O-N 3.18Å; H249-M252 CarbonylContact O-C 3.57Å; H249-M252 WeakPolarHBondContact O-CA 3.32Å; H249-M252 PolarHBondContact O-N 3.29Å; M252-N256 WeakPolarHBondContact O-CB 3.44Å; M252-N256 PolarHBondContact O-N 2.83Å; M252-N256 PolarHBondContact O-ND2 3.03Å
253	E	73.4	Confident	67.8	Low	100 Å²	100	106.4 Å²	106.4	47%	0.467	55%	0.553	S	S	.	*	H	α-helix	trans	-74.9	-43.4	174.2	-175.3	-179.1	-174.2	0	0	110.3	H249 L251 V255 N256 N257	H249-E253 WeakPolarHBondContact O-CB 3.24Å; H249-E253 PolarHBondContact O-N 2.58Å; L251-E253 VanDerWaalsContact C-N 3.34Å; E253-V255 VanDerWaalsContact C-N 3.34Å; E253-V255 PolarHBondContact O-N 3.39Å; E253-N256 CarbonylContact O-C 3.53Å; E253-N256 PolarHBondContact O-N 3.05Å; E253-N257 VanDerWaalsContact O-CB 3.29Å; E253-N257 WeakPolarHBondContact O-CB 3.34Å; E253-N257 VanDerWaalsContact O-CG 3.25Å; E253-N257 PolarHBondContact O-N 3.49Å; E253-N257 PolarHBondContact O-ND2 3.32Å
254	T	73.8	Confident	65.6	Low	80 Å²	80	108.9 Å²	108.9	49%	0.491	57%	0.568	S	S	.	*	H	α-helix	trans	-64.4	-38	172	44.4	0	0	0	0	112.2	D250 L251 L258	D250-T254 PolarHBondContact O-N 3.34Å; D250-T254 PolarHBondContact O-OG1 2.93Å; L251-T254 WeakPolarHBondContact CA-OG1 3.27Å; L251-T254 PolarHBondContact O-OG1 2.76Å; T254-L258 WeakPolarHBondContact O-CG 3.5Å; T254-L258 PolarHBondContact O-N 3.29Å
255	V	70.7	Confident	63.4	Low	81 Å²	81	108.7 Å²	108.7	49%	0.491	58%	0.575	S	S	.	*	H	α-helix	trans	-67.3	-40.5	170	169.7	0	0	0	0	112.1	L251 E253 L258 L259	L251-V255 WeakPolarHBondContact O-CB 3.46Å; L251-V255 VanDerWaalsContact O-CG2 3.27Å; L251-V255 WeakPolarHBondContact O-CG2 3.17Å; L251-V255 PolarHBondContact O-N 3.36Å; E253-V255 VanDerWaalsContact C-N 3.34Å; E253-V255 PolarHBondContact O-N 3.39Å; V255-L258 WeakPolarHBondContact O-CB 3.36Å; V255-L258 PolarHBondContact O-N 3.01Å; V255-L259 WeakPolarHBondContact O-CB 3.36Å; V255-L259 PolarHBondContact O-N 3.25Å
256	N	64.6	Low	61.3	Low	75 Å²	75	110.6 Å²	110.6	40%	0.401	59%	0.589	S	S	.	*	H	α-helix	trans	-71.1	-29	177.2	-81.5	-25.2	0	0	0	112.8	M252 E253 L258 L259 T260	M252-N256 WeakPolarHBondContact O-CB 3.44Å; M252-N256 PolarHBondContact O-N 2.83Å; M252-N256 PolarHBondContact O-ND2 3.03Å; E253-N256 CarbonylContact O-C 3.53Å; E253-N256 PolarHBondContact O-N 3.05Å; N256-L258 VanDerWaalsContact C-N 3.28Å; N256-L259 PolarHBondContact O-N 3.15Å; N256-T260 WeakPolarHBondContact O-CB 3.5Å; N256-T260 VanDerWaalsContact O-CG2 3.28Å; N256-T260 WeakPolarHBondContact O-CG2 3.46Å; N256-T260 PolarHBondContact O-N 3.15Å; N256-T260 PolarHBondContact O-OG1 3Å
257	N	65.1	Low	58.9	Low	88 Å²	88	110.1 Å²	110.1	47%	0.471	60%	0.602	S	S	.	*	H	α-helix	trans	-71.7	-24.3	172	-76.1	-33.8	0	0	0	112	E253	E253-N257 VanDerWaalsContact O-CB 3.29Å; E253-N257 WeakPolarHBondContact O-CB 3.34Å; E253-N257 VanDerWaalsContact O-CG 3.25Å; E253-N257 PolarHBondContact O-N 3.49Å; E253-N257 PolarHBondContact O-ND2 3.32Å
258	L	59.2	Low	56.8	Low	119 Å²	119	108.8 Å²	108.8	62%	0.623	61%	0.612	S	S	*	*	H	α-helix	trans	-77.7	-37	165.5	-68	164.8	0	0	0	111.5	T254 V255 N256	T254-L258 WeakPolarHBondContact O-CG 3.5Å; T254-L258 PolarHBondContact O-N 3.29Å; V255-L258 WeakPolarHBondContact O-CB 3.36Å; V255-L258 PolarHBondContact O-N 3.01Å; N256-L258 VanDerWaalsContact C-N 3.28Å
259	L	50.9	Low	54.7	Low	93 Å²	93	113.1 Å²	113.1	49%	0.487	63%	0.629	S	S	.	*	H	α-helix	trans	-75.2	-33	-178.3	-164.5	66	0	0	0	113.4	V255 N256 M261 M262 S263	V255-L259 WeakPolarHBondContact O-CB 3.36Å; V255-L259 PolarHBondContact O-N 3.25Å; N256-L259 PolarHBondContact O-N 3.15Å; L259-M261 PolarHBondContact O-N 2.82Å; L259-M262 PolarHBondContact O-N 3.34Å; L259-S263 PolarHBondContact O-N 2.88Å
260	T	47.1	Very low	52.5	Low	101 Å²	101	114.2 Å²	114.2	62%	0.62	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.7	-11.5	176.3	52.5	0	0	0	0	113.2	N256 M262	N256-T260 WeakPolarHBondContact O-CB 3.5Å; N256-T260 VanDerWaalsContact O-CG2 3.28Å; N256-T260 WeakPolarHBondContact O-CG2 3.46Å; N256-T260 PolarHBondContact O-N 3.15Å; N256-T260 PolarHBondContact O-OG1 3Å; T260-M262 PolarHBondContact O-N 3.42Å
261	M	48.8	Very low	50.6	Low	161 Å²	161	116.2 Å²	116.2	79%	0.793	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.2	-9.4	161.8	-66.7	-168	-177	0	0	113.2	L259	L259-M261 PolarHBondContact O-N 2.82Å
262	M	43.4	Very low	48.7	Very low	157 Å²	157	117.3 Å²	117.3	77%	0.773	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.4	-23.7	-167.2	-63.9	-158.2	75.7	0	0	117.2	L259 T260	L259-M262 PolarHBondContact O-N 3.34Å; T260-M262 PolarHBondContact O-N 3.42Å
263	S	40.7	Very low	47	Very low	93 Å²	93	118.5 Å²	118.5	65%	0.65	68%	0.681	S	S	*	*			trans	-138.9	145	-173.2	-75.4	0	0	0	0	115.7	L259	L259-S263 PolarHBondContact O-N 2.88Å
264	T	36.5	Very low	45.1	Very low	130 Å²	130	118.1 Å²	118.1	80%	0.798	69%	0.694	S	S	*	*			trans	-106	172.3	175.2	58.3	0	0	0	0	112.2
265	S	32.9	Very low	43.2	Very low	96 Å²	96	124 Å²	124	67%	0.671	71%	0.713	S	S	*	*			trans	90.5	98.7	153.4	-49.3	0	0	0	0	119.8
266	N	31.3	Very low	41.7	Very low	153 Å²	153	129.2 Å²	129.2	82%	0.818	73%	0.732	S	S	*	*				64.6	126.3	127.6	-70.7	-5.8	0	0	0	123.8
267	S	32	Very low	40.5	Very low	124 Å²	124	134.5 Å²	134.5	87%	0.867	75%	0.754	S	S	*	*			trans	94.6	142.9	130.5	73.4	0	0	0	0	119.6
268	A	38.1	Very low	39.9	Very low	92 Å²	92	137.4 Å²	137.4	76%	0.76	77%	0.765	S	S	*	*			trans	-109.8	170.6	-172.9	0	0	0	0	0	111.8
269	K	33.7	Very low	40.5	Very low	214 Å²	214	137.8 Å²	137.8	93%	0.93	77%	0.767	S	S	*	*			trans	-160.5	165.3	142.8	-113.1	160.6	-170.5	-179.9	0	114.2
270	D	33.6	Very low	42	Very low	140 Å²	140	137 Å²	137	75%	0.749	77%	0.769	S	S	*	*			trans	-100.9	146	-167.9	-175.2	51	0	0	0	110.9
271	P	39.3	Very low	44.1	Very low	112 Å²	112	133.5 Å²	133.5	73%	0.727	75%	0.745	S	S	*	*			trans	-89.3	115.9	-179.1	33.1	-31.2	0	0	0	112.6	V273	P271-V273 PolarHBondContact O-N 2.95Å
272	T	35.2	Very low	46.2	Very low	138 Å²	138	129.2 Å²	129.2	85%	0.847	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-72.9	124.9	175.8	50.8	0	0	0	0	112.4
273	V	35.9	Very low	48.6	Very low	142 Å²	142	121.8 Å²	121.8	86%	0.861	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-66.7	133.7	170.6	176.9	0	0	0	0	110.4	P271	P271-V273 PolarHBondContact O-N 2.95Å
274	A	34.9	Very low	51.3	Low	91 Å²	91	117.4 Å²	117.4	75%	0.752	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-74.2	145	175	0	0	0	0	0	111.5
275	K	33.3	Very low	54.2	Low	204 Å²	204	111.4 Å²	111.4	89%	0.887	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-85.8	130.6	163.5	-71.2	-177.7	174.1	-175.5	0	108.7
276	E	38.3	Very low	57.1	Low	190 Å²	190	109.8 Å²	109.8	89%	0.888	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-75.7	140	162.3	-66	178.1	130.7	0	0	109.1	Q278	E276-Q278 PolarHBondContact O-N 3.36Å
277	E	41.1	Very low	60.2	Low	186 Å²	186	102.5 Å²	102.5	87%	0.869	56%	0.559	S	S	*	*	P	Polyproline II helix	trans	-78.6	118.3	174.1	-68.2	-174.7	127.4	0	0	109.1	I279	E277-I279 PolarHBondContact O-N 2.93Å
278	Q	51.6	Low	63.3	Low	150 Å²	150	99.1 Å²	99.1	70%	0.701	53%	0.529	S	S	*	.			trans	-74.1	91.9	-177	-172.7	179.3	-26.3	0	0	110.3	E276 S280 E308	E276-Q278 PolarHBondContact O-N 3.36Å; Q278-S280 PolarHBondContact O-N 2.82Å; Q278-E308 PolarHBondContact NE2-OE1 3.45Å
279	I	70.9	Confident	66	Low	127 Å²	127	100.8 Å²	100.8	65%	0.651	52%	0.519	S	S	*	.			trans	-62.6	120.6	174.3	-56.5	175.8	0	0	0	108.9	E277 F281	E277-I279 PolarHBondContact O-N 2.93Å; I279-F281 HydrophobicContact CB-CZ 4.23Å; I279-F281 HydrophobicContact CG2-CD1 4.33Å; I279-F281 HydrophobicContact CG2-CE1 3.63Å; I279-F281 HydrophobicContact CG2-CE2 4.35Å; I279-F281 HydrophobicContact CG2-CZ 3.66Å
280	S	82.4	Confident	68.8	Low	76 Å²	76	93.4 Å²	93.4	53%	0.531	49%	0.494	S	S	.	.			trans	-98.2	152.3	172.7	53.2	0	0	0	0	111.4	Q278 T301	Q278-S280 PolarHBondContact O-N 2.82Å; S280-T301 WeakPolarHBondContact CB-OG1 3.3Å
281	F	92.1	Very high	71.7	Confident	28 Å²	28	89.2 Å²	89.2	12%	0.123	48%	0.484	C	S	.	.			trans	-130.5	138.3	-178	-49.8	-80.2	0	0	0	109.3	I279 E286 V287 S290 L300 T301	I279-F281 HydrophobicContact CB-CZ 4.23Å; I279-F281 HydrophobicContact CG2-CD1 4.33Å; I279-F281 HydrophobicContact CG2-CE1 3.63Å; I279-F281 HydrophobicContact CG2-CE2 4.35Å; I279-F281 HydrophobicContact CG2-CZ 3.66Å; F281-E286 HydrophobicContact CB-CB 4.22Å; F281-E286 HydrophobicContact CD1-CB 4.27Å; F281-V287 HydrophobicContact CB-CG2 3.57Å; F281-V287 HydrophobicContact CD1-CG2 4.23Å; F281-V287 HydrophobicContact CD2-CG2 3.72Å; F281-V287 HydrophobicContact CE2-CG2 4.47Å; F281-V287 HydrophobicContact CG-CB 4.48Å; F281-V287 HydrophobicContact CG-CG2 3.58Å; F281-S290 WeakPolarHBondContact CE1-OG 3.47Å; F281-L300 HydrophobicContact CB-CD2 4.29Å; F281-L300 CarbonylContact O-C 3.34Å; F281-L300 VanDerWaalsContact O-CA 3.23Å; F281-L300 WeakPolarHBondContact O-CA 3.21Å; F281-T301 PolarHBondContact O-N 3.32Å
282	R	92.1	Very high	74.3	Confident	71 Å²	71	88.1 Å²	88.1	27%	0.268	47%	0.469	S	S	.	.	S	Bend	trans	-73.5	-35.4	178.7	86	-175.1	75.7	168.5	4.2	112.7	E286 T301 L363	R282-E286 WeakPolarHBondContact CB-OE2 3.42Å; R282-E286 HydrophobicContact CG-CG 4.33Å; R282-E286 VanDerWaalsContact CG-OE2 3.23Å; R282-E286 WeakPolarHBondContact CG-OE2 3.44Å; R282-E286 IonicContact CZ-OE1 3.42Å; R282-E286 PolarHBondContact N-OE2 3.22Å; R282-E286 IonicContact NE-OE1 2.8Å; R282-E286 PolarHBondContact NE-OE1 3.33Å; R282-E286 IonicContact NE-OE2 2.96Å; R282-E286 PolarHBondContact NE-OE2 3.37Å; R282-E286 VanDerWaalsContact NE-OE2 3.17Å; R282-E286 IonicContact NH2-OE1 3.34Å; R282-E286 PolarHBondContact NH2-OE1 3.39Å; R282-T301 WeakPolarHBondContact CA-O 3.46Å; R282-L363 HydrophobicContact CB-CD1 4.24Å; R282-L363 HydrophobicContact CG-CD1 4.04Å
283	D	95.1	Very high	77.2	Confident	1 Å²	1	85.2 Å²	85.2	1%	0.005	45%	0.452	C	S	.	.	S	Bend	trans	-152.7	171.3	-173.6	67.5	19.4	0	0	0	111.6	A285 E286 V287 L363 Y369 P493	D283-A285 PolarHBondContact O-N 2.85Å; D283-A285 WeakPolarHBondContact OD1-CA 3.45Å; D283-A285 VanDerWaalsContact OD1-CB 3.27Å; D283-A285 WeakPolarHBondContact OD1-CB 3.28Å; D283-A285 PolarHBondContact OD1-N 3.43Å; D283-E286 PolarHBondContact O-N 3.1Å; D283-E286 PolarHBondContact OD1-N 2.85Å; D283-V287 WeakPolarHBondContact O-CG2 3.5Å; D283-V287 PolarHBondContact O-N 2.94Å; D283-L363 HydrophobicContact CB-CD1 4.42Å; D283-L363 HydrophobicContact CB-CD2 4.13Å; D283-Y369 WeakPolarHBondContact OD2-CE1 3.17Å; D283-Y369 PolarHBondContact OD2-OH 3.38Å; D283-P493 VanDerWaalsContact OD2-CG 3.29Å; D283-P493 WeakPolarHBondContact OD2-CG 3.27Å
284	C	96.9	Very high	80.1	Confident	0 Å²	0	82.8 Å²	82.8	0%	0	44%	0.437	C	S	.	.	H	α-helix	trans	-65.3	-14.1	176.7	-63	0	0	0	0	113.9	F288 C313 M315 G321 T323	C284-F288 WeakPolarHBondContact O-CB 3.21Å; C284-F288 PolarHBondContact O-N 2.64Å; C284-C313 HydrophobicContact CB-CB 3.59Å; C284-C313 WeakPolarHBondContact CB-SG 3.43Å; C284-C313 WeakPolarHBondContact SG-CA 3.34Å; C284-C313 WeakPolarHBondContact SG-CB 3.37Å; C284-C313 CovalentContact SG-SG 2.03Å; C284-C313 PolarHBondContact SG-SG 2.92Å; C284-M315 HydrophobicContact CB-CE 4.21Å; C284-M315 WeakPolarHBondContact O-CE 3.23Å; C284-G321 CarbonylContact C-O 3.43Å; C284-G321 WeakPolarHBondContact O-CA 3.34Å; C284-T323 WeakPolarHBondContact CB-OG1 3.43Å; C284-T323 PolarHBondContact N-OG1 3.39Å; C284-T323 VanDerWaalsContact SG-CA 3.54Å; C284-T323 PolarHBondContact SG-OG1 3.49Å; C284-T323 VanDerWaalsContact SG-OG1 3.41Å
285	A	96.5	Very high	83.1	Confident	4 Å²	4	80.6 Å²	80.6	3%	0.033	41%	0.413	C	S	.	.	H	α-helix	trans	-77.9	-38.6	175.8	0	0	0	0	0	111.7	D283 F288 K289 G321 R492 P493 F496	D283-A285 PolarHBondContact O-N 2.85Å; D283-A285 WeakPolarHBondContact OD1-CA 3.45Å; D283-A285 VanDerWaalsContact OD1-CB 3.27Å; D283-A285 WeakPolarHBondContact OD1-CB 3.28Å; D283-A285 PolarHBondContact OD1-N 3.43Å; A285-F288 PolarHBondContact O-N 3.33Å; A285-K289 WeakPolarHBondContact O-CB 3.28Å; A285-K289 VanDerWaalsContact O-CG 3.3Å; A285-K289 WeakPolarHBondContact O-CG 3.36Å; A285-K289 PolarHBondContact O-N 3.21Å; A285-G321 PolarHBondContact N-O 2.65Å; A285-R492 HydrophobicContact CB-CG 4.42Å; A285-P493 HydrophobicContact CB-CG 3.89Å; A285-F496 HydrophobicContact CB-CD2 3.48Å; A285-F496 VanDerWaalsContact CB-CD2 3.48Å; A285-F496 HydrophobicContact CB-CE2 3.67Å
286	E	95.3	Very high	86.1	Confident	63 Å²	63	71.8 Å²	71.8	29%	0.294	38%	0.379	S	S	.	.	H	α-helix	trans	-66	-41.7	167.9	-74.7	-170.9	146.3	0	0	111.8	F281 R282 D283 F288 K289 S290	F281-E286 HydrophobicContact CB-CB 4.22Å; F281-E286 HydrophobicContact CD1-CB 4.27Å; R282-E286 WeakPolarHBondContact CB-OE2 3.42Å; R282-E286 HydrophobicContact CG-CG 4.33Å; R282-E286 VanDerWaalsContact CG-OE2 3.23Å; R282-E286 WeakPolarHBondContact CG-OE2 3.44Å; R282-E286 IonicContact CZ-OE1 3.42Å; R282-E286 PolarHBondContact N-OE2 3.22Å; R282-E286 IonicContact NE-OE1 2.8Å; R282-E286 PolarHBondContact NE-OE1 3.33Å; R282-E286 IonicContact NE-OE2 2.96Å; R282-E286 PolarHBondContact NE-OE2 3.37Å; R282-E286 VanDerWaalsContact NE-OE2 3.17Å; R282-E286 IonicContact NH2-OE1 3.34Å; R282-E286 PolarHBondContact NH2-OE1 3.39Å; D283-E286 PolarHBondContact O-N 3.1Å; D283-E286 PolarHBondContact OD1-N 2.85Å; E286-F288 PolarHBondContact O-N 2.94Å; E286-K289 PolarHBondContact O-N 3.41Å; E286-S290 WeakPolarHBondContact O-CB 3.37Å; E286-S290 PolarHBondContact O-N 2.61Å
287	V	95.7	Very high	88.9	Confident	0 Å²	0	66 Å²	66	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-54.4	-52	172.2	176.8	0	0	0	0	110.1	F281 D283 K289 S290 H292 Y298 L300 M315	F281-V287 HydrophobicContact CB-CG2 3.57Å; F281-V287 HydrophobicContact CD1-CG2 4.23Å; F281-V287 HydrophobicContact CD2-CG2 3.72Å; F281-V287 HydrophobicContact CE2-CG2 4.47Å; F281-V287 HydrophobicContact CG-CB 4.48Å; F281-V287 HydrophobicContact CG-CG2 3.58Å; D283-V287 WeakPolarHBondContact O-CG2 3.5Å; D283-V287 PolarHBondContact O-N 2.94Å; V287-K289 PolarHBondContact O-N 2.96Å; V287-S290 PolarHBondContact O-N 2.03Å; V287-S290 PolarHBondContact O-OG 2.63Å; V287-H292 HydrophobicContact CG1-CB 3.58Å; V287-H292 WeakPolarHBondContact O-CB 3.44Å; V287-H292 PolarHBondContact O-N 2.88Å; V287-Y298 HydrophobicContact CG1-CD1 3.44Å; V287-Y298 VanDerWaalsContact CG1-CD1 3.44Å; V287-Y298 HydrophobicContact CG1-CD2 4.09Å; V287-Y298 HydrophobicContact CG1-CE1 3.53Å; V287-Y298 HydrophobicContact CG1-CE2 4.17Å; V287-Y298 HydrophobicContact CG1-CG 3.73Å; V287-Y298 HydrophobicContact CG2-CD1 4.38Å; V287-Y298 HydrophobicContact CG2-CG 4.33Å; V287-L300 HydrophobicContact CG2-CD2 3.94Å; V287-M315 HydrophobicContact CB-CE 3.76Å; V287-M315 HydrophobicContact CG1-CE 3.39Å
288	F	96.6	Very high	91.5	Very high	53 Å²	53	59.2 Å²	59.2	23%	0.232	32%	0.321	C	S	.	.	H	α-helix	trans	-61.9	-45.6	178.6	-169.8	-90.1	0	0	0	112.7	C284 A285 E286 S290 G291 T293 M315 F496	C284-F288 WeakPolarHBondContact O-CB 3.21Å; C284-F288 PolarHBondContact O-N 2.64Å; A285-F288 PolarHBondContact O-N 3.33Å; E286-F288 PolarHBondContact O-N 2.94Å; F288-S290 PolarHBondContact O-N 2.98Å; F288-G291 PolarHBondContact O-N 2.98Å; F288-T293 HydrophobicContact CD2-CG2 4.03Å; F288-T293 HydrophobicContact CE2-CG2 3.72Å; F288-T293 HydrophobicContact CZ-CG2 3.99Å; F288-M315 HydrophobicContact CB-CE 4.11Å; F288-M315 HydrophobicContact CB-SD 3.99Å; F288-M315 HydrophobicContact CD2-CB 3.91Å; F288-M315 HydrophobicContact CD2-CG 4.17Å; F288-M315 HydrophobicContact CD2-SD 3.78Å; F288-M315 HydrophobicContact CE2-CB 4.13Å; F288-M315 WeakPolarHBondContact CE2-O 3.43Å; F288-M315 HydrophobicContact CG-SD 4.37Å; F288-F496 HydrophobicContact CB-CE2 4.44Å; F288-F496 HydrophobicContact CB-CZ 4.46Å; F288-F496 HydrophobicContact CD1-CE2 4.22Å; F288-F496 AromaticContact CD1-CZ 3.64Å; F288-F496 HydrophobicContact CD1-CZ 3.64Å; F288-F496 HydrophobicContact CE1-CZ 4.1Å; F288-F496 HydrophobicContact CG-CZ 4.15Å
289	K	95.1	Very high	93.6	Very high	127 Å²	127	54.4 Å²	54.4	55%	0.552	30%	0.302	S	S	*	.	H	α-helix	trans	-66.8	-19.4	178.8	-73.1	178	177.5	-174.4	0	113.3	A285 E286 V287 G291 F496	A285-K289 WeakPolarHBondContact O-CB 3.28Å; A285-K289 VanDerWaalsContact O-CG 3.3Å; A285-K289 WeakPolarHBondContact O-CG 3.36Å; A285-K289 PolarHBondContact O-N 3.21Å; E286-K289 PolarHBondContact O-N 3.41Å; V287-K289 PolarHBondContact O-N 2.96Å; K289-G291 VanDerWaalsContact C-N 3.28Å; K289-F496 WeakPolarHBondContact CE-OXT 3.49Å; K289-F496 HydrophobicContact CG-CE2 4.48Å; K289-F496 PolarHBondContact NZ-OXT 2.82Å
290	S	93.9	Very high	94.7	Very high	59 Å²	59	48.4 Å²	48.4	41%	0.413	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-3.3	169.7	77.3	0	0	0	0	114.7	F281 E286 V287 F288 H292	F281-S290 WeakPolarHBondContact CE1-OG 3.47Å; E286-S290 WeakPolarHBondContact O-CB 3.37Å; E286-S290 PolarHBondContact O-N 2.61Å; V287-S290 PolarHBondContact O-N 2.03Å; V287-S290 PolarHBondContact O-OG 2.63Å; F288-S290 PolarHBondContact O-N 2.98Å; S290-H292 PolarHBondContact OG-ND1 2.8Å
291	G	94.1	Very high	95.1	Very high	52 Å²	52	45.8 Å²	45.8	54%	0.536	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	100	-1	179.7	0	0	0	0	0	115.1	F288 K289 T293	F288-G291 PolarHBondContact O-N 2.98Å; K289-G291 VanDerWaalsContact C-N 3.28Å; G291-T293 PolarHBondContact O-N 2.84Å; G291-T293 VanDerWaalsContact O-N 3.11Å
292	H	94.5	Very high	94.7	Very high	89 Å²	89	44.8 Å²	44.8	41%	0.412	25%	0.248	S	C	.	.			trans	-82.7	83.5	176.6	-66.8	98.6	0	0	0	110.7	V287 S290 Y298 M315	V287-H292 HydrophobicContact CG1-CB 3.58Å; V287-H292 WeakPolarHBondContact O-CB 3.44Å; V287-H292 PolarHBondContact O-N 2.88Å; S290-H292 PolarHBondContact OG-ND1 2.8Å; H292-Y298 HydrophobicContact CB-CE1 3.87Å; H292-M315 WeakPolarHBondContact O-CE 3.41Å
293	T	95.6	Very high	93.6	Very high	77 Å²	77	44.1 Å²	44.1	47%	0.472	25%	0.253	S	S	.	.			trans	-98	22.4	-170.4	65	0	0	0	0	114.6	F288 G291 M315	F288-T293 HydrophobicContact CD2-CG2 4.03Å; F288-T293 HydrophobicContact CE2-CG2 3.72Å; F288-T293 HydrophobicContact CZ-CG2 3.99Å; G291-T293 PolarHBondContact O-N 2.84Å; G291-T293 VanDerWaalsContact O-N 3.11Å; T293-M315 WeakPolarHBondContact O-CB 3.42Å
294	T	96.2	Very high	92.5	Very high	91 Å²	91	52.5 Å²	52.5	56%	0.558	30%	0.297	S	S	*	.	S	Bend	trans	-108.3	138.9	-176	-50.5	0	0	0	0	110.8	G296 Y298 M315	T294-G296 PolarHBondContact O-N 2.7Å; T294-Y298 PolarHBondContact O-OH 2.76Å; T294-M315 VanDerWaalsContact O-CG 3.24Å; T294-M315 WeakPolarHBondContact O-CG 3.13Å
295	N	97.4	Very high	91.6	Very high	45 Å²	45	54.6 Å²	54.6	24%	0.241	31%	0.312	C	S	.	.	S	Bend	trans	-61	130.8	172	-69.4	-15.7	0	0	0	110.8	Y312 C313 M315 E316	N295-Y312 HydrophobicContact CB-CE1 4.38Å; N295-C313 WeakPolarHBondContact CA-O 3.36Å; N295-M315 PolarHBondContact OD1-N 3.15Å; N295-E316 PolarHBondContact ND2-OE2 3.45Å; N295-E316 PolarHBondContact OD1-N 3.03Å
296	G	96	Very high	90.7	Very high	18 Å²	18	61.1 Å²	61.1	19%	0.186	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	174	-177.9	-176.6	0	0	0	0	0	114.6	T294 Y312 C313	T294-G296 PolarHBondContact O-N 2.7Å; G296-Y312 WeakPolarHBondContact O-CA 3.3Å; G296-C313 PolarHBondContact N-O 2.8Å; G296-C313 PolarHBondContact O-N 2.82Å
297	I	97.6	Very high	90.1	Very high	69 Å²	69	64.4 Å²	64.4	35%	0.354	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	127	174	-61	171.3	0	0	0	108.9	K310 A311 Y312 P349 S350	I297-K310 HydrophobicContact CG2-CB 3.89Å; I297-K310 HydrophobicContact CG2-CG 4.41Å; I297-A311 WeakPolarHBondContact CA-O 3.28Å; I297-Y312 HydrophobicContact CG1-CD2 4.08Å; I297-P349 HydrophobicContact CD1-CB 3.85Å; I297-P349 HydrophobicContact CG1-CB 3.9Å; I297-P349 HydrophobicContact CG2-CB 4.33Å; I297-S350 VanDerWaalsContact CD1-OG 3.29Å; I297-S350 WeakPolarHBondContact CD1-OG 3.48Å
298	Y	96.1	Very high	89.8	Confident	44 Å²	44	69.4 Å²	69.4	17%	0.173	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	149.7	174.4	-68.5	-93.5	0	0	0	110.2	V287 H292 T294 A311 C313 M315	V287-Y298 HydrophobicContact CG1-CD1 3.44Å; V287-Y298 VanDerWaalsContact CG1-CD1 3.44Å; V287-Y298 HydrophobicContact CG1-CD2 4.09Å; V287-Y298 HydrophobicContact CG1-CE1 3.53Å; V287-Y298 HydrophobicContact CG1-CE2 4.17Å; V287-Y298 HydrophobicContact CG1-CG 3.73Å; V287-Y298 HydrophobicContact CG2-CD1 4.38Å; V287-Y298 HydrophobicContact CG2-CG 4.33Å; H292-Y298 HydrophobicContact CB-CE1 3.87Å; T294-Y298 PolarHBondContact O-OH 2.76Å; Y298-A311 PolarHBondContact N-O 2.77Å; Y298-A311 PolarHBondContact O-N 3.21Å; Y298-C313 HydrophobicContact CD2-CB 3.72Å; Y298-C313 VanDerWaalsContact CD2-SG 3.51Å; Y298-C313 HydrophobicContact CE2-CB 4.13Å; Y298-M315 HydrophobicContact CE2-CE 4.29Å
299	T	95.1	Very high	89.7	Confident	49 Å²	49	68.5 Å²	68.5	30%	0.301	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	126.4	168.7	-59.6	0	0	0	0	108.7	E308 I309	T299-E308 HydrophobicContact CG2-CB 3.71Å; T299-E308 HydrophobicContact CG2-CG 3.72Å; T299-E308 WeakPolarHBondContact CG2-OE2 3.21Å; T299-I309 CarbonylContact C-O 3.33Å; T299-I309 WeakPolarHBondContact CA-O 3.16Å
300	L	94.3	Very high	89.7	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	150.8	174.5	-55	-179.9	0	0	0	109.9	F281 V287 E308 I309 A311 T323 F359	F281-L300 HydrophobicContact CB-CD2 4.29Å; F281-L300 CarbonylContact O-C 3.34Å; F281-L300 VanDerWaalsContact O-CA 3.23Å; F281-L300 WeakPolarHBondContact O-CA 3.21Å; V287-L300 HydrophobicContact CG2-CD2 3.94Å; L300-E308 WeakPolarHBondContact O-CA 3.47Å; L300-I309 HydrophobicContact CB-CG2 4.06Å; L300-I309 PolarHBondContact N-O 2.63Å; L300-I309 PolarHBondContact O-N 2.79Å; L300-A311 HydrophobicContact CD1-CB 3.6Å; L300-A311 HydrophobicContact CG-CB 4.24Å; L300-T323 HydrophobicContact CD1-CG2 3.82Å; L300-F359 HydrophobicContact CB-CE2 4.31Å; L300-F359 HydrophobicContact CB-CZ 3.84Å; L300-F359 HydrophobicContact CD1-CE1 4.23Å; L300-F359 HydrophobicContact CD1-CZ 3.96Å
301	T	91.6	Very high	89.9	Confident	21 Å²	21	65.8 Å²	65.8	13%	0.129	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	127.5	-179.7	-42.7	0	0	0	0	109.2	S280 F281 R282 S305	S280-T301 WeakPolarHBondContact CB-OG1 3.3Å; F281-T301 PolarHBondContact O-N 3.32Å; R282-T301 WeakPolarHBondContact CA-O 3.46Å; T301-S305 WeakPolarHBondContact CG2-O 3.35Å
302	L	83.9	Confident	90.1	Very high	8 Å²	8	66 Å²	66	4%	0.042	35%	0.353	C	S	.	.			trans	-68.8	134.7	177	-75.3	158.4	0	0	0	110.5	N304 S305 F359 Q362 L363	L302-N304 PolarHBondContact O-N 3.37Å; L302-S305 PolarHBondContact O-N 3.13Å; L302-F359 HydrophobicContact CD1-CD2 3.59Å; L302-F359 HydrophobicContact CD1-CE2 4.12Å; L302-F359 HydrophobicContact CD1-CG 4.39Å; L302-F359 HydrophobicContact CD2-CD2 4.13Å; L302-F359 HydrophobicContact CD2-CE2 4.05Å; L302-F359 HydrophobicContact CG-CD2 3.64Å; L302-F359 HydrophobicContact CG-CE2 3.62Å; L302-Q362 HydrophobicContact CD1-CB 4Å; L302-Q362 HydrophobicContact CD2-CB 3.82Å; L302-L363 HydrophobicContact CD2-CB 4.08Å; L302-L363 HydrophobicContact CD2-CD1 4.47Å
303	P	68.5	Low	90.3	Very high	57 Å²	57	61.8 Å²	61.8	37%	0.37	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	132.7	171.5	25.4	-33.3	0	0	0	109.7
304	N	72.6	Confident	90.4	Very high	177 Å²	177	59.3 Å²	59.3	95%	0.947	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.2	10	-170.5	-40	-77.9	0	0	0	116.3	L302	L302-N304 PolarHBondContact O-N 3.37Å
305	S	77.3	Confident	90.4	Very high	43 Å²	43	55.3 Å²	55.3	30%	0.301	29%	0.292	S	S	.	.			trans	-123.3	156.6	167.3	-169.5	0	0	0	0	111.6	T301 L302 E307	T301-S305 WeakPolarHBondContact CG2-O 3.35Å; L302-S305 PolarHBondContact O-N 3.13Å; S305-E307 WeakPolarHBondContact OG-CB 3.47Å; S305-E307 PolarHBondContact OG-N 3.4Å
306	T	78.1	Confident	90.2	Very high	141 Å²	141	59.7 Å²	59.7	87%	0.865	31%	0.312	S	S	*	.			trans	-102.1	9.4	165.9	61.8	0	0	0	0	112	E308	T306-E308 PolarHBondContact O-N 2.87Å
307	E	82.4	Confident	89.7	Confident	133 Å²	133	60.4 Å²	60.4	62%	0.621	32%	0.315	S	S	*	.			trans	-80	114.6	177.5	-168.4	166.1	-158.8	0	0	110	S305	S305-E307 WeakPolarHBondContact OG-CB 3.47Å; S305-E307 PolarHBondContact OG-N 3.4Å
308	E	89.7	Confident	89.2	Confident	105 Å²	105	60 Å²	60	49%	0.491	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	131.5	175.9	-73.2	-175.2	-176.2	0	0	110.8	Q278 T299 L300 T306	Q278-E308 PolarHBondContact NE2-OE1 3.45Å; T299-E308 HydrophobicContact CG2-CB 3.71Å; T299-E308 HydrophobicContact CG2-CG 3.72Å; T299-E308 WeakPolarHBondContact CG2-OE2 3.21Å; L300-E308 WeakPolarHBondContact O-CA 3.47Å; T306-E308 PolarHBondContact O-N 2.87Å
309	I	93.8	Very high	88.9	Confident	33 Å²	33	60.1 Å²	60.1	17%	0.169	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	149.9	170.8	-155	163.1	0	0	0	110.7	T299 L300 L355 F359	T299-I309 CarbonylContact C-O 3.33Å; T299-I309 WeakPolarHBondContact CA-O 3.16Å; L300-I309 HydrophobicContact CB-CG2 4.06Å; L300-I309 PolarHBondContact N-O 2.63Å; L300-I309 PolarHBondContact O-N 2.79Å; I309-L355 HydrophobicContact CD1-CD1 3.76Å; I309-L355 HydrophobicContact CD1-CG 4.21Å; I309-L355 WeakPolarHBondContact CD1-O 3.23Å; I309-L355 HydrophobicContact CG1-CD1 3.98Å; I309-L355 HydrophobicContact CG2-CD1 4.33Å; I309-F359 HydrophobicContact CB-CD2 4.23Å; I309-F359 HydrophobicContact CB-CE2 4.37Å; I309-F359 HydrophobicContact CD1-CB 4.05Å; I309-F359 HydrophobicContact CD1-CD2 4.39Å; I309-F359 HydrophobicContact CD1-CG 4.15Å; I309-F359 HydrophobicContact CG2-CD1 4.22Å; I309-F359 HydrophobicContact CG2-CD2 3.5Å; I309-F359 HydrophobicContact CG2-CE1 4.06Å; I309-F359 HydrophobicContact CG2-CE2 3.31Å; I309-F359 HydrophobicContact CG2-CG 3.97Å; I309-F359 HydrophobicContact CG2-CZ 3.63Å
310	K	95.8	Very high	88.9	Confident	130 Å²	130	57.8 Å²	57.8	57%	0.565	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.6	118.6	175.6	-69.5	-177.2	179.8	-178.8	0	109.6	I297 P349	I297-K310 HydrophobicContact CG2-CB 3.89Å; I297-K310 HydrophobicContact CG2-CG 4.41Å; K310-P349 HydrophobicContact CB-CG 4.32Å; K310-P349 WeakPolarHBondContact O-CG 3.43Å
311	A	97.3	Very high	89	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	151	177.7	0	0	0	0	0	110.4	I297 Y298 L300 T323 L355	I297-A311 WeakPolarHBondContact CA-O 3.28Å; Y298-A311 PolarHBondContact N-O 2.77Å; Y298-A311 PolarHBondContact O-N 3.21Å; L300-A311 HydrophobicContact CD1-CB 3.6Å; L300-A311 HydrophobicContact CG-CB 4.24Å; A311-T323 HydrophobicContact CB-CG2 4.02Å; A311-L355 HydrophobicContact CB-CD1 3.9Å; A311-L355 HydrophobicContact CB-CD2 4.42Å
312	Y	98.2	Very high	89.3	Confident	57 Å²	57	57.2 Å²	57.2	22%	0.224	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	126.7	167.7	-164.3	-79.8	0	0	0	109.5	N295 G296 I297 I324 P349 Y353	N295-Y312 HydrophobicContact CB-CE1 4.38Å; G296-Y312 WeakPolarHBondContact O-CA 3.3Å; I297-Y312 HydrophobicContact CG1-CD2 4.08Å; Y312-I324 HydrophobicContact CD1-CD1 3.59Å; Y312-I324 HydrophobicContact CD1-CG1 4.47Å; Y312-I324 HydrophobicContact CE1-CD1 4.35Å; Y312-I324 HydrophobicContact CG-CD1 4.27Å; Y312-I324 WeakPolarHBondContact O-CB 3.35Å; Y312-I324 PolarHBondContact O-N 3.35Å; Y312-P349 WeakPolarHBondContact CB-O 3.48Å; Y312-P349 WeakPolarHBondContact CD2-O 3.5Å; Y312-Y353 PolarHBondContact N-OH 2.9Å
313	C	98	Very high	90	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	126.2	174.2	-61.2	0	0	0	0	110.7	C284 N295 G296 Y298 M315 W322	C284-C313 HydrophobicContact CB-CB 3.59Å; C284-C313 WeakPolarHBondContact CB-SG 3.43Å; C284-C313 WeakPolarHBondContact SG-CA 3.34Å; C284-C313 WeakPolarHBondContact SG-CB 3.37Å; C284-C313 CovalentContact SG-SG 2.03Å; C284-C313 PolarHBondContact SG-SG 2.92Å; N295-C313 WeakPolarHBondContact CA-O 3.36Å; G296-C313 PolarHBondContact N-O 2.8Å; G296-C313 PolarHBondContact O-N 2.82Å; Y298-C313 HydrophobicContact CD2-CB 3.72Å; Y298-C313 VanDerWaalsContact CD2-SG 3.51Å; Y298-C313 HydrophobicContact CE2-CB 4.13Å; C313-M315 HydrophobicContact CB-CE 3.42Å; C313-M315 VanDerWaalsContact CB-CE 3.42Å; C313-M315 HydrophobicContact CB-CG 4.28Å; C313-M315 HydrophobicContact CB-SD 3.78Å; C313-W322 WeakPolarHBondContact CA-O 3.42Å
314	D	97.7	Very high	91.4	Very high	24 Å²	24	54.3 Å²	54.3	13%	0.128	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	106.9	168.6	178.5	-11	0	0	0	108.3	E316 A317 G320 G321 W322 I324 M490	D314-E316 PolarHBondContact OD1-N 3.13Å; D314-A317 VanDerWaalsContact OD1-CB 3.23Å; D314-A317 WeakPolarHBondContact OD1-CB 3.49Å; D314-A317 PolarHBondContact OD1-N 2.96Å; D314-A317 WeakPolarHBondContact OD2-CB 3.42Å; D314-G320 CarbonylContact O-C 3.59Å; D314-G320 WeakPolarHBondContact O-CA 3.38Å; D314-G321 PolarHBondContact O-N 3.49Å; D314-W322 HydrophobicContact CB-CB 4.11Å; D314-W322 PolarHBondContact N-O 3.19Å; D314-W322 PolarHBondContact O-N 3.18Å; D314-I324 HydrophobicContact CB-CD1 4.46Å; D314-M490 HydrophobicContact CB-CE 4.48Å
315	M	96.9	Very high	92.7	Very high	7 Å²	7	46 Å²	46	3%	0.034	26%	0.261	C	S	.	.			trans	-100.9	-6.8	-174.7	-57.3	-44.7	-155.4	0	0	112.7	C284 V287 F288 H292 T293 T294 N295 Y298 C313 G320	C284-M315 HydrophobicContact CB-CE 4.21Å; C284-M315 WeakPolarHBondContact O-CE 3.23Å; V287-M315 HydrophobicContact CB-CE 3.76Å; V287-M315 HydrophobicContact CG1-CE 3.39Å; F288-M315 HydrophobicContact CB-CE 4.11Å; F288-M315 HydrophobicContact CB-SD 3.99Å; F288-M315 HydrophobicContact CD2-CB 3.91Å; F288-M315 HydrophobicContact CD2-CG 4.17Å; F288-M315 HydrophobicContact CD2-SD 3.78Å; F288-M315 HydrophobicContact CE2-CB 4.13Å; F288-M315 WeakPolarHBondContact CE2-O 3.43Å; F288-M315 HydrophobicContact CG-SD 4.37Å; H292-M315 WeakPolarHBondContact O-CE 3.41Å; T293-M315 WeakPolarHBondContact O-CB 3.42Å; T294-M315 VanDerWaalsContact O-CG 3.24Å; T294-M315 WeakPolarHBondContact O-CG 3.13Å; N295-M315 PolarHBondContact OD1-N 3.15Å; Y298-M315 HydrophobicContact CE2-CE 4.29Å; C313-M315 HydrophobicContact CB-CE 3.42Å; C313-M315 VanDerWaalsContact CB-CE 3.42Å; C313-M315 HydrophobicContact CB-CG 4.28Å; C313-M315 HydrophobicContact CB-SD 3.78Å; M315-G320 VanDerWaalsContact CA-CA 3.48Å; M315-G320 WeakPolarHBondContact O-CA 3.41Å
316	E	92.8	Very high	93.7	Very high	138 Å²	138	44 Å²	44	65%	0.645	25%	0.247	S	C	*	.	S	Bend	trans	-106	-40.1	-176.2	-68.5	171.2	-175.5	0	0	112	N295 D314 G318	N295-E316 PolarHBondContact ND2-OE2 3.45Å; N295-E316 PolarHBondContact OD1-N 3.03Å; D314-E316 PolarHBondContact OD1-N 3.13Å; E316-G318 PolarHBondContact O-N 3.14Å; E316-G318 VanDerWaalsContact O-N 3.15Å
317	A	87.2	Confident	94.7	Very high	32 Å²	32	38.2 Å²	38.2	26%	0.264	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75	109.1	-169	0	0	0	0	0	113.1	D314 W322	D314-A317 VanDerWaalsContact OD1-CB 3.23Å; D314-A317 WeakPolarHBondContact OD1-CB 3.49Å; D314-A317 PolarHBondContact OD1-N 2.96Å; D314-A317 WeakPolarHBondContact OD2-CB 3.42Å; A317-W322 PolarHBondContact O-NE1 2.9Å
318	G	85.3	Confident	95.5	Very high	61 Å²	61	32.1 Å²	32.1	63%	0.629	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	65	43.5	174.1	0	0	0	0	0	113.1	E316 R492	E316-G318 PolarHBondContact O-N 3.14Å; E316-G318 VanDerWaalsContact O-N 3.15Å; G318-R492 PolarHBondContact O-NH1 3.37Å
319	G	90.6	Very high	95.8	Very high	46 Å²	46	30.7 Å²	30.7	47%	0.474	17%	0.174	S	C	.	.	S	Bend	trans	89.2	5.9	177.3	0	0	0	0	0	115.3	F496	G319-F496 WeakPolarHBondContact O-CE1 3.5Å
320	G	95	Very high	96	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.189	C	C	.	.	S	Bend	trans	71.6	-162.9	172.3	0	0	0	0	0	115.6	D314 M315 W322 R492	D314-G320 CarbonylContact O-C 3.59Å; D314-G320 WeakPolarHBondContact O-CA 3.38Å; M315-G320 VanDerWaalsContact CA-CA 3.48Å; M315-G320 WeakPolarHBondContact O-CA 3.41Å; G320-W322 VanDerWaalsContact C-N 3.26Å; G320-W322 VanDerWaalsContact O-CD1 3.26Å; G320-W322 PolarHBondContact O-N 3.18Å; G320-R492 WeakPolarHBondContact O-CD 3.34Å; G320-R492 PolarHBondContact O-NH1 3.35Å
321	G	96.9	Very high	96.1	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	18%	0.177	C	C	.	.			trans	70.3	13.7	179.7	0	0	0	0	0	115.3	C284 A285 D314 R492	C284-G321 CarbonylContact C-O 3.43Å; C284-G321 WeakPolarHBondContact O-CA 3.34Å; A285-G321 PolarHBondContact N-O 2.65Å; D314-G321 PolarHBondContact O-N 3.49Å; G321-R492 WeakPolarHBondContact O-CG 3.45Å
322	W	98.3	Very high	96.1	Very high	10 Å²	10	32.4 Å²	32.4	4%	0.038	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	123.7	-174.6	-67.1	100.2	0	0	0	112.1	C313 D314 A317 G320 V370 K372 L386 M490 R492	C313-W322 WeakPolarHBondContact CA-O 3.42Å; D314-W322 HydrophobicContact CB-CB 4.11Å; D314-W322 PolarHBondContact N-O 3.19Å; D314-W322 PolarHBondContact O-N 3.18Å; A317-W322 PolarHBondContact O-NE1 2.9Å; G320-W322 VanDerWaalsContact C-N 3.26Å; G320-W322 VanDerWaalsContact O-CD1 3.26Å; G320-W322 PolarHBondContact O-N 3.18Å; W322-V370 HydrophobicContact CH2-CG2 3.85Å; W322-V370 HydrophobicContact CZ3-CG2 3.94Å; W322-K372 HydrophobicContact CE3-CB 4.22Å; W322-K372 HydrophobicContact CH2-CB 3.72Å; W322-K372 HydrophobicContact CH2-CD 3.78Å; W322-K372 HydrophobicContact CH2-CG 4.42Å; W322-K372 HydrophobicContact CZ2-CB 4.5Å; W322-K372 HydrophobicContact CZ2-CD 3.72Å; W322-K372 HydrophobicContact CZ3-CB 3.55Å; W322-K372 HydrophobicContact CZ3-CD 4.18Å; W322-L386 HydrophobicContact CH2-CD1 4.26Å; W322-M490 HydrophobicContact CB-CB 4.18Å; W322-M490 HydrophobicContact CB-CG 4.35Å; W322-M490 HydrophobicContact CB-SD 3.88Å; W322-M490 HydrophobicContact CD2-CG 4.08Å; W322-M490 HydrophobicContact CD2-SD 3.69Å; W322-M490 HydrophobicContact CE3-CB 4.17Å; W322-M490 HydrophobicContact CE3-CG 3.67Å; W322-M490 HydrophobicContact CE3-SD 3.93Å; W322-M490 HydrophobicContact CG-CG 4.38Å; W322-M490 HydrophobicContact CG-SD 3.66Å; W322-M490 HydrophobicContact CZ3-CG 4.34Å; W322-R492 HydrophobicContact CD2-CB 3.98Å; W322-R492 HydrophobicContact CE3-CB 3.56Å; W322-R492 HydrophobicContact CH2-CB 4.21Å; W322-R492 HydrophobicContact CZ3-CB 3.7Å
323	T	98.3	Very high	96.1	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	113.8	170.9	-50.2	0	0	0	0	109.1	C284 L300 A311 I325 L355 M490 I491	C284-T323 WeakPolarHBondContact CB-OG1 3.43Å; C284-T323 PolarHBondContact N-OG1 3.39Å; C284-T323 VanDerWaalsContact SG-CA 3.54Å; C284-T323 PolarHBondContact SG-OG1 3.49Å; C284-T323 VanDerWaalsContact SG-OG1 3.41Å; L300-T323 HydrophobicContact CD1-CG2 3.82Å; A311-T323 HydrophobicContact CB-CG2 4.02Å; T323-I325 PolarHBondContact O-N 3.3Å; T323-L355 HydrophobicContact CG2-CD2 4.16Å; T323-M490 CarbonylContact O-C 3.58Å; T323-M490 VanDerWaalsContact O-CA 3.25Å; T323-M490 WeakPolarHBondContact O-CA 3.49Å; T323-I491 PolarHBondContact N-O 3.28Å; T323-I491 PolarHBondContact O-N 3.46Å
324	I	98.6	Very high	96.1	Very high	4 Å²	4	34.7 Å²	34.7	2%	0.021	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	125.9	175.4	-62.8	-179.2	0	0	0	109.3	Y312 D314 Q326 R327 Y353 T488 M490	Y312-I324 HydrophobicContact CD1-CD1 3.59Å; Y312-I324 HydrophobicContact CD1-CG1 4.47Å; Y312-I324 HydrophobicContact CE1-CD1 4.35Å; Y312-I324 HydrophobicContact CG-CD1 4.27Å; Y312-I324 WeakPolarHBondContact O-CB 3.35Å; Y312-I324 PolarHBondContact O-N 3.35Å; D314-I324 HydrophobicContact CB-CD1 4.46Å; I324-Q326 WeakPolarHBondContact CG2-O 3.31Å; I324-R327 HydrophobicContact CG2-CB 4.21Å; I324-Y353 VanDerWaalsContact CB-OH 3.3Å; I324-Y353 WeakPolarHBondContact CB-OH 3.5Å; I324-Y353 HydrophobicContact CG2-CE1 3.88Å; I324-Y353 WeakPolarHBondContact CG2-OH 3.36Å; I324-Y353 PolarHBondContact O-OH 3.24Å; I324-T488 HydrophobicContact CB-CG2 4.44Å; I324-T488 HydrophobicContact CD1-CG2 3.7Å; I324-T488 HydrophobicContact CG1-CG2 3.87Å; I324-T488 HydrophobicContact CG2-CG2 3.8Å; I324-M490 HydrophobicContact CG1-CB 4.21Å; I324-M490 HydrophobicContact CG1-CE 4.41Å
325	I	98.7	Very high	96.1	Very high	3 Å²	3	33.9 Å²	33.9	2%	0.015	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	-21.1	178.1	69.1	170.5	0	0	0	112.9	T323 L355 V360 L371 F390 M489 I491	T323-I325 PolarHBondContact O-N 3.3Å; I325-L355 HydrophobicContact CB-CB 4.35Å; I325-L355 HydrophobicContact CB-CD2 4.49Å; I325-L355 HydrophobicContact CG2-CD2 4Å; I325-L355 PolarHBondContact O-N 3.2Å; I325-V360 HydrophobicContact CB-CG2 3.98Å; I325-V360 HydrophobicContact CD1-CG1 4.26Å; I325-V360 HydrophobicContact CG2-CG2 3.74Å; I325-L371 HydrophobicContact CD1-CD1 4.2Å; I325-F390 HydrophobicContact CD1-CE1 4.14Å; I325-F390 HydrophobicContact CD1-CZ 4.14Å; I325-M489 HydrophobicContact CD1-CB 4.23Å; I325-M489 HydrophobicContact CD1-CE 4.37Å; I325-M489 HydrophobicContact CG1-CB 3.66Å; I325-M489 WeakPolarHBondContact CG1-O 3.42Å; I325-M489 PolarHBondContact N-O 3.17Å; I325-I491 HydrophobicContact CD1-CG2 4.08Å; I325-I491 HydrophobicContact CG2-CD1 3.84Å; I325-I491 HydrophobicContact CG2-CG1 3.85Å; I325-I491 HydrophobicContact CG2-CG2 4.34Å
326	Q	98.8	Very high	96.2	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	139.9	171.6	-173.5	-105.6	39.4	0	0	110	I324 F335 Y353 W354 L455 N456 T487 T488 M489	I324-Q326 WeakPolarHBondContact CG2-O 3.31Å; Q326-F335 HydrophobicContact CG-CE1 4.28Å; Q326-Y353 WeakPolarHBondContact CA-O 3.36Å; Q326-W354 HydrophobicContact CB-CE3 3.69Å; Q326-W354 HydrophobicContact CB-CZ3 3.75Å; Q326-W354 HydrophobicContact CG-CE3 3.59Å; Q326-W354 HydrophobicContact CG-CZ3 3.79Å; Q326-L455 PolarHBondContact NE2-O 3.43Å; Q326-N456 PolarHBondContact NE2-OD1 3.04Å; Q326-T487 PolarHBondContact NE2-OG1 2.88Å; Q326-T487 PolarHBondContact OE1-O 3.39Å; Q326-T487 PolarHBondContact OE1-OG1 2.97Å; Q326-T488 CarbonylContact O-C 3.57Å; Q326-T488 WeakPolarHBondContact O-CA 3.45Å; Q326-M489 HydrophobicContact CB-CB 3.9Å; Q326-M489 HydrophobicContact CB-CG 3.99Å; Q326-M489 HydrophobicContact CB-SD 4.03Å; Q326-M489 PolarHBondContact N-O 3.46Å; Q326-M489 PolarHBondContact O-N 3.01Å
327	R	98.7	Very high	96.5	Very high	20 Å²	20	34 Å²	34	8%	0.075	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	137.8	164.4	-170.9	164.6	63.8	-130.6	-17.4	111.5	I324 E329 P349 G351 E352 Y353 T487	I324-R327 HydrophobicContact CG2-CB 4.21Å; R327-E329 WeakPolarHBondContact CD-OE1 3.36Å; R327-E329 IonicContact CZ-OE1 2.59Å; R327-E329 IonicContact NE-OE1 3.76Å; R327-E329 PolarHBondContact NE-OE1 2.86Å; R327-E329 IonicContact NH2-OE1 3.23Å; R327-P349 PolarHBondContact NH2-O 3.19Å; R327-G351 PolarHBondContact NE-O 3.31Å; R327-G351 VanDerWaalsContact NE-O 3.15Å; R327-G351 VanDerWaalsContact NH2-N 3.14Å; R327-G351 PolarHBondContact NH2-O 2.99Å; R327-E352 VanDerWaalsContact O-CA 3.27Å; R327-E352 WeakPolarHBondContact O-CA 3.2Å; R327-Y353 HydrophobicContact CB-CD1 4.39Å; R327-Y353 HydrophobicContact CB-CE1 4.46Å; R327-Y353 PolarHBondContact N-O 3.41Å; R327-Y353 VanDerWaalsContact N-O 3.08Å; R327-Y353 PolarHBondContact O-N 3.41Å; R327-T487 CarbonylContact C-O 3.57Å; R327-T487 WeakPolarHBondContact CA-O 3.34Å
328	R	98.6	Very high	97	Very high	5 Å²	5	34.3 Å²	34.3	2%	0.019	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	141.4	166.4	-50.5	-58.3	-54.8	-90.9	15.4	108.7	V333 E352 G457 I472 A486 T487	R328-V333 PolarHBondContact NH2-O 2.94Å; R328-E352 VanDerWaalsContact CA-OE1 3.31Å; R328-E352 WeakPolarHBondContact CA-OE1 3.17Å; R328-E352 IonicContact CZ-OE2 2.68Å; R328-E352 VanDerWaalsContact NE-CD 3.3Å; R328-E352 IonicContact NE-OE1 2.83Å; R328-E352 PolarHBondContact NE-OE1 3.12Å; R328-E352 IonicContact NE-OE2 3.98Å; R328-E352 PolarHBondContact NE-OE2 3.46Å; R328-E352 IonicContact NH2-OE2 3.64Å; R328-E352 PolarHBondContact NH2-OE2 3.37Å; R328-G457 PolarHBondContact NH1-O 2.94Å; R328-I472 HydrophobicContact CB-CD1 4.1Å; R328-I472 HydrophobicContact CG-CD1 4.16Å; R328-A486 CarbonylContact O-C 3.49Å; R328-A486 WeakPolarHBondContact O-CA 3.37Å; R328-A486 WeakPolarHBondContact O-CB 3.31Å; R328-T487 WeakPolarHBondContact CB-OG1 3.32Å; R328-T487 VanDerWaalsContact CG-OG1 3.24Å; R328-T487 WeakPolarHBondContact CG-OG1 3.4Å; R328-T487 PolarHBondContact N-O 3.3Å; R328-T487 PolarHBondContact O-N 2.85Å
329	E	97.6	Very high	97.7	Very high	74 Å²	74	33.2 Å²	33.2	35%	0.346	19%	0.188	S	C	.	.	S	Bend	trans	-157.4	-30	-179.4	59.9	-158.3	127.7	0	0	115.2	R327 G351 E352 Y459 A486	R327-E329 WeakPolarHBondContact CD-OE1 3.36Å; R327-E329 IonicContact CZ-OE1 2.59Å; R327-E329 IonicContact NE-OE1 3.76Å; R327-E329 PolarHBondContact NE-OE1 2.86Å; R327-E329 IonicContact NH2-OE1 3.23Å; E329-G351 WeakPolarHBondContact OE1-CA 3.37Å; E329-E352 HydrophobicContact CG-CG 4.22Å; E329-E352 PolarHBondContact N-OE1 2.96Å; E329-Y459 VanDerWaalsContact C-CE2 3.5Å; E329-Y459 PolarHBondContact O-OH 3.43Å; E329-A486 HydrophobicContact CB-CB 4.31Å
330	D	97.3	Very high	98.1	Very high	93 Å²	93	38.4 Å²	38.4	50%	0.497	20%	0.198	S	C	.	.	S	Bend	trans	-138.7	-12.2	-173.1	71.1	-9.6	0	0	0	115.7	S332 E352	D330-S332 WeakPolarHBondContact OD1-CB 3.37Å; D330-S332 PolarHBondContact OD1-N 3.17Å; D330-S332 PolarHBondContact OD1-OG 2.67Å; D330-S332 WeakPolarHBondContact OD2-CB 3.42Å; D330-S332 PolarHBondContact OD2-OG 3.35Å; D330-E352 PolarHBondContact N-OE1 3.08Å; D330-E352 VanDerWaalsContact N-OE1 3.1Å; D330-E352 WeakPolarHBondContact OD1-CG 3.08Å
331	G	97.2	Very high	98.2	Very high	30 Å²	30	40.7 Å²	40.7	31%	0.309	21%	0.208	S	C	.	.	S	Bend	trans	78	15.1	-175.5	0	0	0	0	0	115.1	V333 E352 Y459	G331-V333 VanDerWaalsContact C-N 3.25Å; G331-V333 PolarHBondContact O-N 3.03Å; G331-E352 PolarHBondContact N-OE1 2.87Å; G331-Y459 VanDerWaalsContact N-CD2 3.27Å
332	S	97.5	Very high	98.3	Very high	76 Å²	76	40.7 Å²	40.7	53%	0.531	21%	0.208	S	C	.	.			trans	-65.9	-22.5	-180	55.6	0	0	0	0	114.5	D330	D330-S332 WeakPolarHBondContact OD1-CB 3.37Å; D330-S332 PolarHBondContact OD1-N 3.17Å; D330-S332 PolarHBondContact OD1-OG 2.67Å; D330-S332 WeakPolarHBondContact OD2-CB 3.42Å; D330-S332 PolarHBondContact OD2-OG 3.35Å
333	V	98.3	Very high	98.3	Very high	32 Å²	32	42.6 Å²	42.6	19%	0.194	22%	0.217	C	C	.	.	S	Bend	trans	-112.7	133.7	-178.1	174.5	0	0	0	0	110.8	R328 G331 F335 F346 E352	R328-V333 PolarHBondContact NH2-O 2.94Å; G331-V333 VanDerWaalsContact C-N 3.25Å; G331-V333 PolarHBondContact O-N 3.03Å; V333-F335 HydrophobicContact CB-CD2 4.42Å; V333-F335 HydrophobicContact CB-CE2 4.02Å; V333-F335 HydrophobicContact CG1-CD2 4.09Å; V333-F335 HydrophobicContact CG1-CE2 3.82Å; V333-F335 WeakPolarHBondContact O-CD2 3.21Å; V333-F346 HydrophobicContact CG1-CD2 4.03Å; V333-F346 HydrophobicContact CG1-CE2 4.23Å; V333-E352 HydrophobicContact CB-CB 3.85Å; V333-E352 HydrophobicContact CG2-CB 3.9Å; V333-E352 WeakPolarHBondContact CG2-O 3.07Å
334	D	98.1	Very high	98.3	Very high	74 Å²	74	46.7 Å²	46.7	40%	0.396	24%	0.242	S	C	.	.			trans	-69.7	129.3	167.8	163.5	44	0	0	0	110.3	Q336 R337	D334-Q336 WeakPolarHBondContact OD1-CB 3.19Å; D334-Q336 PolarHBondContact OD1-N 3.48Å; D334-R337 VanDerWaalsContact O-CD 3.31Å; D334-R337 WeakPolarHBondContact O-CD 3.25Å; D334-R337 WeakPolarHBondContact OD2-CD 3.43Å; D334-R337 IonicContact OD2-CZ 2.69Å; D334-R337 IonicContact OD2-NE 2.68Å; D334-R337 IonicContact OD2-NH1 2.82Å; D334-R337 PolarHBondContact OD2-NH1 2.81Å
335	F	98.6	Very high	98.3	Very high	7 Å²	7	47.4 Å²	47.4	3%	0.031	25%	0.25	C	C	.	.			trans	-106.6	-1.4	175.5	-85.6	-109.7	0	0	0	113.1	Q326 V333 R337 Y342 F346 E352 W354 G443 N456	Q326-F335 HydrophobicContact CG-CE1 4.28Å; V333-F335 HydrophobicContact CB-CD2 4.42Å; V333-F335 HydrophobicContact CB-CE2 4.02Å; V333-F335 HydrophobicContact CG1-CD2 4.09Å; V333-F335 HydrophobicContact CG1-CE2 3.82Å; V333-F335 WeakPolarHBondContact O-CD2 3.21Å; F335-R337 PolarHBondContact O-N 2.05Å; F335-Y342 WeakPolarHBondContact O-CE2 3.29Å; F335-Y342 PolarHBondContact O-OH 3.09Å; F335-F346 AromaticContact CD1-CE2 3.74Å; F335-F346 HydrophobicContact CD1-CE2 3.74Å; F335-F346 AromaticContact CD1-CZ 3.63Å; F335-F346 HydrophobicContact CD1-CZ 3.63Å; F335-F346 HydrophobicContact CD2-CE2 4.05Å; F335-F346 AromaticContact CE1-CE2 3.85Å; F335-F346 HydrophobicContact CE1-CE2 3.85Å; F335-F346 AromaticContact CE1-CZ 3.91Å; F335-F346 HydrophobicContact CE1-CZ 3.91Å; F335-F346 HydrophobicContact CE2-CE2 4.14Å; F335-F346 AromaticContact CG-CE2 3.85Å; F335-F346 HydrophobicContact CG-CE2 3.85Å; F335-F346 HydrophobicContact CG-CZ 4.06Å; F335-F346 HydrophobicContact CZ-CE2 4.04Å; F335-E352 HydrophobicContact CE2-CB 4.17Å; F335-W354 HydrophobicContact CE1-CB 4.3Å; F335-G443 WeakPolarHBondContact O-CA 3.47Å; F335-N456 HydrophobicContact CB-CB 4.47Å; F335-N456 WeakPolarHBondContact CB-O 3.4Å; F335-N456 HydrophobicContact CD1-CB 3.86Å
336	Q	98.2	Very high	98.3	Very high	74 Å²	74	48.5 Å²	48.5	35%	0.346	25%	0.254	S	S	.	.			trans	-78.9	58	175.4	-161.3	174.8	7	0	0	110.9	D334 K426	D334-Q336 WeakPolarHBondContact OD1-CB 3.19Å; D334-Q336 PolarHBondContact OD1-N 3.48Å; Q336-K426 HydrophobicContact CG-CD 4.32Å; Q336-K426 VanDerWaalsContact O-CD 3.29Å; Q336-K426 WeakPolarHBondContact O-CD 3.31Å; Q336-K426 WeakPolarHBondContact O-CE 3.44Å; Q336-K426 PolarHBondContact O-NZ 2.88Å
337	R	98.5	Very high	98.2	Very high	73 Å²	73	50.7 Å²	50.7	28%	0.275	28%	0.277	S	S	.	.			trans	-95.1	167	-173.2	-47.8	-48	-73.9	-145.3	-13.4	112.9	D334 F335 E341 Y342 F346	D334-R337 VanDerWaalsContact O-CD 3.31Å; D334-R337 WeakPolarHBondContact O-CD 3.25Å; D334-R337 WeakPolarHBondContact OD2-CD 3.43Å; D334-R337 IonicContact OD2-CZ 2.69Å; D334-R337 IonicContact OD2-NE 2.68Å; D334-R337 IonicContact OD2-NH1 2.82Å; D334-R337 PolarHBondContact OD2-NH1 2.81Å; F335-R337 PolarHBondContact O-N 2.05Å; R337-E341 HydrophobicContact CB-CB 3.78Å; R337-E341 HydrophobicContact CB-CG 4.48Å; R337-E341 IonicContact CZ-OE1 2.67Å; R337-E341 IonicContact NE-OE1 2.6Å; R337-E341 PolarHBondContact NE-OE1 3.36Å; R337-E341 IonicContact NE-OE2 2.65Å; R337-E341 IonicContact NH2-OE1 2.76Å; R337-E341 PolarHBondContact NH2-OE1 2.76Å; R337-Y342 HydrophobicContact CB-CD2 3.97Å; R337-Y342 HydrophobicContact CB-CE2 3.76Å; R337-Y342 HydrophobicContact CG-CE2 4.44Å; R337-F346 HydrophobicContact CB-CD1 4.21Å; R337-F346 HydrophobicContact CB-CE1 3.96Å; R337-F346 HydrophobicContact CB-CZ 4.27Å; R337-F346 HydrophobicContact CG-CD1 3.91Å; R337-F346 HydrophobicContact CG-CD2 3.87Å; R337-F346 HydrophobicContact CG-CE1 3.72Å; R337-F346 HydrophobicContact CG-CE2 3.7Å; R337-F346 HydrophobicContact CG-CG 3.99Å; R337-F346 HydrophobicContact CG-CZ 3.63Å
338	T	98.8	Very high	98.2	Very high	39 Å²	39	54 Å²	54	24%	0.239	30%	0.296	C	S	.	.			trans	-77.1	166.8	178.9	56.2	0	0	0	0	112.5	K340 E341 Y342 K426 D427	T338-K340 VanDerWaalsContact C-N 3.29Å; T338-K340 PolarHBondContact O-N 3.16Å; T338-E341 WeakPolarHBondContact CB-OE2 3.19Å; T338-E341 WeakPolarHBondContact CG2-OE2 3.49Å; T338-E341 PolarHBondContact N-OE2 2.98Å; T338-E341 PolarHBondContact O-N 3.12Å; T338-E341 VanDerWaalsContact OG1-CD 3.31Å; T338-E341 VanDerWaalsContact OG1-CG 3.23Å; T338-E341 WeakPolarHBondContact OG1-CG 3.38Å; T338-E341 PolarHBondContact OG1-N 3.38Å; T338-E341 PolarHBondContact OG1-OE2 3.48Å; T338-Y342 WeakPolarHBondContact O-CD2 3.29Å; T338-Y342 PolarHBondContact O-N 3.33Å; T338-K426 VanDerWaalsContact CG2-CE 3.44Å; T338-D427 VanDerWaalsContact CA-OD1 3.31Å; T338-D427 WeakPolarHBondContact CA-OD1 3.3Å; T338-D427 WeakPolarHBondContact CA-OD2 3.28Å; T338-D427 WeakPolarHBondContact CB-OD2 3.49Å
339	W	98.8	Very high	98.1	Very high	37 Å²	37	54.8 Å²	54.8	14%	0.14	30%	0.302	C	S	.	.	H	α-helix	trans	-52.4	-48.7	171.6	-177.5	-97.6	0	0	0	111.6	E341 Y342 K343 E395 N398 Y399 F423 T425 D427 A428	W339-E341 VanDerWaalsContact C-N 3.32Å; W339-E341 PolarHBondContact O-N 2.81Å; W339-Y342 PolarHBondContact O-N 2.74Å; W339-K343 PolarHBondContact O-N 3.45Å; W339-E395 HydrophobicContact CZ2-CG 4.3Å; W339-E395 PolarHBondContact NE1-OE1 3.16Å; W339-N398 HydrophobicContact CH2-CB 4.06Å; W339-Y399 AromaticContact CE2-CE2 3.99Å; W339-Y399 AromaticContact CH2-CD2 3.72Å; W339-Y399 HydrophobicContact CH2-CD2 3.72Å; W339-Y399 HydrophobicContact CH2-CE2 4.22Å; W339-Y399 AromaticContact CZ2-CD2 3.52Å; W339-Y399 HydrophobicContact CZ2-CD2 3.52Å; W339-Y399 AromaticContact CZ2-CE2 3.54Å; W339-Y399 HydrophobicContact CZ2-CE2 3.54Å; W339-F423 HydrophobicContact CE3-CD1 4.41Å; W339-F423 HydrophobicContact CH2-CB 4.32Å; W339-F423 HydrophobicContact CZ3-CB 4.11Å; W339-F423 AromaticContact CZ3-CD1 3.97Å; W339-F423 HydrophobicContact CZ3-CD1 3.97Å; W339-F423 WeakPolarHBondContact CZ3-O 3.33Å; W339-T425 HydrophobicContact CE3-CG2 4.11Å; W339-T425 PolarHBondContact N-OG1 3.27Å; W339-D427 VanDerWaalsContact N-CG 3.31Å; W339-D427 PolarHBondContact N-OD1 3.08Å; W339-D427 PolarHBondContact N-OD2 3.11Å; W339-A428 HydrophobicContact CB-CB 4.15Å; W339-A428 HydrophobicContact CD2-CB 4.01Å; W339-A428 HydrophobicContact CE3-CB 3.59Å; W339-A428 HydrophobicContact CG-CB 4.27Å; W339-A428 HydrophobicContact CZ3-CB 4.26Å
340	K	98.7	Very high	98	Very high	156 Å²	156	55.1 Å²	55.1	68%	0.678	31%	0.313	S	S	*	.	H	α-helix	trans	-61.4	-38.8	-179.7	-175.5	174.3	179.2	177.8	0	112.5	T338 K343 V344	T338-K340 VanDerWaalsContact C-N 3.29Å; T338-K340 PolarHBondContact O-N 3.16Å; K340-K343 WeakPolarHBondContact O-CB 3.47Å; K340-K343 PolarHBondContact O-N 2.77Å; K340-V344 WeakPolarHBondContact O-CG2 3.49Å; K340-V344 PolarHBondContact O-N 2.92Å; K340-V344 VanDerWaalsContact O-N 3.14Å
341	E	98.7	Very high	98	Very high	47 Å²	47	51.6 Å²	51.6	22%	0.22	30%	0.298	C	S	.	.	H	α-helix	trans	-69.7	-41.6	176.4	-70.4	168.1	107.1	0	0	111.6	R337 T338 W339 K343 V344 G345 F346	R337-E341 HydrophobicContact CB-CB 3.78Å; R337-E341 HydrophobicContact CB-CG 4.48Å; R337-E341 IonicContact CZ-OE1 2.67Å; R337-E341 IonicContact NE-OE1 2.6Å; R337-E341 PolarHBondContact NE-OE1 3.36Å; R337-E341 IonicContact NE-OE2 2.65Å; R337-E341 IonicContact NH2-OE1 2.76Å; R337-E341 PolarHBondContact NH2-OE1 2.76Å; T338-E341 WeakPolarHBondContact CB-OE2 3.19Å; T338-E341 WeakPolarHBondContact CG2-OE2 3.49Å; T338-E341 PolarHBondContact N-OE2 2.98Å; T338-E341 PolarHBondContact O-N 3.12Å; T338-E341 VanDerWaalsContact OG1-CD 3.31Å; T338-E341 VanDerWaalsContact OG1-CG 3.23Å; T338-E341 WeakPolarHBondContact OG1-CG 3.38Å; T338-E341 PolarHBondContact OG1-N 3.38Å; T338-E341 PolarHBondContact OG1-OE2 3.48Å; W339-E341 VanDerWaalsContact C-N 3.32Å; W339-E341 PolarHBondContact O-N 2.81Å; E341-K343 VanDerWaalsContact C-N 3.29Å; E341-K343 PolarHBondContact O-N 2.73Å; E341-V344 PolarHBondContact O-N 2.96Å; E341-G345 CarbonylContact O-C 3.41Å; E341-G345 WeakPolarHBondContact O-CA 3.5Å; E341-G345 PolarHBondContact O-N 3.42Å; E341-F346 HydrophobicContact CB-CD1 4.22Å
342	Y	98.8	Very high	98	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-66.1	-29.7	173.2	-88.5	-77.5	0	0	0	113.2	F335 R337 T338 W339 F346 W354 G356 N357 F423 T425 G444	F335-Y342 WeakPolarHBondContact O-CE2 3.29Å; F335-Y342 PolarHBondContact O-OH 3.09Å; R337-Y342 HydrophobicContact CB-CD2 3.97Å; R337-Y342 HydrophobicContact CB-CE2 3.76Å; R337-Y342 HydrophobicContact CG-CE2 4.44Å; T338-Y342 WeakPolarHBondContact O-CD2 3.29Å; T338-Y342 PolarHBondContact O-N 3.33Å; W339-Y342 PolarHBondContact O-N 2.74Å; Y342-F346 AromaticContact CD1-CE1 3.72Å; Y342-F346 HydrophobicContact CD1-CE1 3.72Å; Y342-F346 HydrophobicContact CD1-CZ 4.29Å; Y342-F346 HydrophobicContact CD2-CE1 4.04Å; Y342-F346 AromaticContact CE1-CE1 3.58Å; Y342-F346 HydrophobicContact CE1-CE1 3.58Å; Y342-F346 AromaticContact CE1-CZ 3.68Å; Y342-F346 HydrophobicContact CE1-CZ 3.68Å; Y342-F346 AromaticContact CE2-CE1 3.91Å; Y342-F346 HydrophobicContact CE2-CE1 3.91Å; Y342-F346 HydrophobicContact CE2-CZ 4.09Å; Y342-F346 AromaticContact CG-CE1 3.94Å; Y342-F346 HydrophobicContact CG-CE1 3.94Å; Y342-F346 AromaticContact CZ-CE1 3.67Å; Y342-F346 AromaticContact CZ-CZ 3.55Å; Y342-W354 AromaticContact CD1-CD1 3.71Å; Y342-W354 HydrophobicContact CD1-CD2 4.02Å; Y342-W354 AromaticContact CD1-CE2 3.87Å; Y342-W354 AromaticContact CD1-CG 3.96Å; Y342-W354 HydrophobicContact CD1-CG 3.96Å; Y342-W354 AromaticContact CD1-NE1 3.66Å; Y342-W354 AromaticContact CE1-CD2 3.99Å; Y342-W354 HydrophobicContact CE1-CD2 3.99Å; Y342-W354 HydrophobicContact CE1-CE3 4.37Å; Y342-W354 HydrophobicContact CE1-CG 4.07Å; Y342-W354 PolarHBondContact O-NE1 3.36Å; Y342-G356 WeakPolarHBondContact O-CA 3.38Å; Y342-N357 VanDerWaalsContact O-CG 3.25Å; Y342-N357 PolarHBondContact O-N 2.86Å; Y342-N357 PolarHBondContact O-OD1 3.1Å; Y342-F423 AromaticContact CD1-CE1 3.65Å; Y342-F423 HydrophobicContact CD1-CE1 3.65Å; Y342-F423 AromaticContact CD1-CZ 3.4Å; Y342-F423 HydrophobicContact CD1-CZ 3.4Å; Y342-F423 HydrophobicContact CD2-CE1 4.22Å; Y342-F423 HydrophobicContact CE1-CE1 4.37Å; Y342-F423 AromaticContact CE1-CZ 3.82Å; Y342-F423 HydrophobicContact CE1-CZ 3.82Å; Y342-F423 AromaticContact CG-CE1 3.56Å; Y342-F423 HydrophobicContact CG-CE1 3.56Å; Y342-F423 AromaticContact CG-CZ 3.85Å; Y342-F423 HydrophobicContact CG-CZ 3.85Å; Y342-T425 HydrophobicContact CD2-CG2 3.55Å; Y342-T425 HydrophobicContact CE2-CG2 4.29Å; Y342-T425 HydrophobicContact CG-CG2 4.02Å; Y342-G444 PolarHBondContact OH-N 3.38Å
343	K	98.4	Very high	98.1	Very high	50 Å²	50	46.8 Å²	46.8	22%	0.217	26%	0.259	C	S	.	.	H	α-helix	trans	-62.3	-54.9	170.8	173.2	172.7	178.5	110.5	0	112.2	W339 K340 E341 G356 N357 E358 E395 Y399	W339-K343 PolarHBondContact O-N 3.45Å; K340-K343 WeakPolarHBondContact O-CB 3.47Å; K340-K343 PolarHBondContact O-N 2.77Å; E341-K343 VanDerWaalsContact C-N 3.29Å; E341-K343 PolarHBondContact O-N 2.73Å; K343-G356 CarbonylContact O-C 3.58Å; K343-G356 WeakPolarHBondContact O-CA 3.48Å; K343-N357 PolarHBondContact O-N 3.03Å; K343-E358 WeakPolarHBondContact CE-OE2 3.31Å; K343-E358 HydrophobicContact CG-CB 3.97Å; K343-E358 IonicContact NZ-OE2 2.7Å; K343-E358 PolarHBondContact NZ-OE2 3.35Å; K343-E358 PolarHBondContact O-N 2.88Å; K343-E358 VanDerWaalsContact O-N 3.11Å; K343-E395 WeakPolarHBondContact CD-OE1 3.29Å; K343-E395 IonicContact NZ-OE1 3.57Å; K343-E395 IonicContact NZ-OE2 2.76Å; K343-E395 PolarHBondContact NZ-OE2 2.87Å; K343-Y399 WeakPolarHBondContact CD-OH 3.37Å; K343-Y399 VanDerWaalsContact CG-OH 3.3Å; K343-Y399 WeakPolarHBondContact CG-OH 3.19Å; K343-Y399 PolarHBondContact NZ-OH 2.88Å
344	V	97.6	Very high	98.1	Very high	87 Å²	87	45.5 Å²	45.5	53%	0.527	25%	0.251	S	S	.	.	H	α-helix	trans	-89.4	-15.3	-170.9	-53	0	0	0	0	114.8	K340 E341	K340-V344 WeakPolarHBondContact O-CG2 3.49Å; K340-V344 PolarHBondContact O-N 2.92Å; K340-V344 VanDerWaalsContact O-N 3.14Å; E341-V344 PolarHBondContact O-N 2.96Å
345	G	98.1	Very high	98.1	Very high	18 Å²	18	42.3 Å²	42.3	19%	0.186	23%	0.234	C	C	.	.			trans	95.2	158.7	-175	0	0	0	0	0	113.6	E341 W354	E341-G345 CarbonylContact O-C 3.41Å; E341-G345 WeakPolarHBondContact O-CA 3.5Å; E341-G345 PolarHBondContact O-N 3.42Å; G345-W354 CarbonylContact C-O 3.57Å; G345-W354 WeakPolarHBondContact CA-O 3.28Å
346	F	98.6	Very high	98.1	Very high	26 Å²	26	42 Å²	42	11%	0.114	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	164	179.2	61.9	-93.5	0	0	0	111.7	V333 F335 R337 E341 Y342 Y353 W354	V333-F346 HydrophobicContact CG1-CD2 4.03Å; V333-F346 HydrophobicContact CG1-CE2 4.23Å; F335-F346 AromaticContact CD1-CE2 3.74Å; F335-F346 HydrophobicContact CD1-CE2 3.74Å; F335-F346 AromaticContact CD1-CZ 3.63Å; F335-F346 HydrophobicContact CD1-CZ 3.63Å; F335-F346 HydrophobicContact CD2-CE2 4.05Å; F335-F346 AromaticContact CE1-CE2 3.85Å; F335-F346 HydrophobicContact CE1-CE2 3.85Å; F335-F346 AromaticContact CE1-CZ 3.91Å; F335-F346 HydrophobicContact CE1-CZ 3.91Å; F335-F346 HydrophobicContact CE2-CE2 4.14Å; F335-F346 AromaticContact CG-CE2 3.85Å; F335-F346 HydrophobicContact CG-CE2 3.85Å; F335-F346 HydrophobicContact CG-CZ 4.06Å; F335-F346 HydrophobicContact CZ-CE2 4.04Å; R337-F346 HydrophobicContact CB-CD1 4.21Å; R337-F346 HydrophobicContact CB-CE1 3.96Å; R337-F346 HydrophobicContact CB-CZ 4.27Å; R337-F346 HydrophobicContact CG-CD1 3.91Å; R337-F346 HydrophobicContact CG-CD2 3.87Å; R337-F346 HydrophobicContact CG-CE1 3.72Å; R337-F346 HydrophobicContact CG-CE2 3.7Å; R337-F346 HydrophobicContact CG-CG 3.99Å; R337-F346 HydrophobicContact CG-CZ 3.63Å; E341-F346 HydrophobicContact CB-CD1 4.22Å; Y342-F346 AromaticContact CD1-CE1 3.72Å; Y342-F346 HydrophobicContact CD1-CE1 3.72Å; Y342-F346 HydrophobicContact CD1-CZ 4.29Å; Y342-F346 HydrophobicContact CD2-CE1 4.04Å; Y342-F346 AromaticContact CE1-CE1 3.58Å; Y342-F346 HydrophobicContact CE1-CE1 3.58Å; Y342-F346 AromaticContact CE1-CZ 3.68Å; Y342-F346 HydrophobicContact CE1-CZ 3.68Å; Y342-F346 AromaticContact CE2-CE1 3.91Å; Y342-F346 HydrophobicContact CE2-CE1 3.91Å; Y342-F346 HydrophobicContact CE2-CZ 4.09Å; Y342-F346 AromaticContact CG-CE1 3.94Å; Y342-F346 HydrophobicContact CG-CE1 3.94Å; Y342-F346 AromaticContact CZ-CE1 3.67Å; Y342-F346 AromaticContact CZ-CZ 3.55Å; F346-Y353 CarbonylContact O-C 3.48Å; F346-Y353 VanDerWaalsContact O-CA 3.3Å; F346-Y353 WeakPolarHBondContact O-CA 3.48Å; F346-Y353 WeakPolarHBondContact O-CB 3.47Å; F346-W354 HydrophobicContact CD1-CB 4.03Å; F346-W354 HydrophobicContact CE1-CB 3.61Å; F346-W354 HydrophobicContact CE1-CG 4.08Å; F346-W354 HydrophobicContact CE2-CB 4.16Å; F346-W354 HydrophobicContact CG-CB 4.48Å; F346-W354 HydrophobicContact CZ-CB 3.67Å; F346-W354 HydrophobicContact CZ-CG 4.39Å; F346-W354 PolarHBondContact N-O 2.91Å; F346-W354 PolarHBondContact O-N 3.15Å
347	G	97.9	Very high	98.1	Very high	47 Å²	47	38.5 Å²	38.5	49%	0.485	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	93.7	-155.1	-175.2	0	0	0	0	0	111.9	E352	G347-E352 WeakPolarHBondContact CA-O 3.36Å
348	N	97.1	Very high	98	Very high	88 Å²	88	37 Å²	37	47%	0.471	21%	0.213	S	C	.	.			trans	-133.5	125.1	179.8	-176.5	-13.1	0	0	0	110.5	S350 G351 E352	N348-S350 PolarHBondContact O-N 3.36Å; N348-S350 PolarHBondContact OD1-N 3.34Å; N348-G351 CarbonylContact O-C 3.57Å; N348-G351 PolarHBondContact O-N 3.21Å; N348-E352 PolarHBondContact N-O 3.38Å
349	P	96.6	Very high	97.9	Very high	23 Å²	23	35.8 Å²	35.8	15%	0.149	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-18	174.4	-28	36.5	0	0	0	115.6	I297 K310 Y312 R327 Y353	I297-P349 HydrophobicContact CD1-CB 3.85Å; I297-P349 HydrophobicContact CG1-CB 3.9Å; I297-P349 HydrophobicContact CG2-CB 4.33Å; K310-P349 HydrophobicContact CB-CG 4.32Å; K310-P349 WeakPolarHBondContact O-CG 3.43Å; Y312-P349 WeakPolarHBondContact CB-O 3.48Å; Y312-P349 WeakPolarHBondContact CD2-O 3.5Å; R327-P349 PolarHBondContact NH2-O 3.19Å; P349-Y353 HydrophobicContact CB-CE1 4.36Å
350	S	95.8	Very high	97.9	Very high	81 Å²	81	34.2 Å²	34.2	57%	0.566	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-15.3	170.5	-63.5	0	0	0	0	115.3	I297 N348	I297-S350 VanDerWaalsContact CD1-OG 3.29Å; I297-S350 WeakPolarHBondContact CD1-OG 3.48Å; N348-S350 PolarHBondContact O-N 3.36Å; N348-S350 PolarHBondContact OD1-N 3.34Å
351	G	96.9	Very high	97.8	Very high	18 Å²	18	27 Å²	27	19%	0.186	17%	0.168	C	C	.	.	S	Bend	trans	-144.7	-134.7	-175.1	0	0	0	0	0	111.6	R327 E329 N348	R327-G351 PolarHBondContact NE-O 3.31Å; R327-G351 VanDerWaalsContact NE-O 3.15Å; R327-G351 VanDerWaalsContact NH2-N 3.14Å; R327-G351 PolarHBondContact NH2-O 2.99Å; E329-G351 WeakPolarHBondContact OE1-CA 3.37Å; N348-G351 CarbonylContact O-C 3.57Å; N348-G351 PolarHBondContact O-N 3.21Å
352	E	98.7	Very high	97.7	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.005	17%	0.174	C	C	.	.	S	Bend	trans	-70.7	135.2	173.2	-59.8	-156.9	157.1	0	0	112.4	R327 R328 E329 D330 G331 V333 F335 G347 N348	R327-E352 VanDerWaalsContact O-CA 3.27Å; R327-E352 WeakPolarHBondContact O-CA 3.2Å; R328-E352 VanDerWaalsContact CA-OE1 3.31Å; R328-E352 WeakPolarHBondContact CA-OE1 3.17Å; R328-E352 IonicContact CZ-OE2 2.68Å; R328-E352 VanDerWaalsContact NE-CD 3.3Å; R328-E352 IonicContact NE-OE1 2.83Å; R328-E352 PolarHBondContact NE-OE1 3.12Å; R328-E352 IonicContact NE-OE2 3.98Å; R328-E352 PolarHBondContact NE-OE2 3.46Å; R328-E352 IonicContact NH2-OE2 3.64Å; R328-E352 PolarHBondContact NH2-OE2 3.37Å; E329-E352 HydrophobicContact CG-CG 4.22Å; E329-E352 PolarHBondContact N-OE1 2.96Å; D330-E352 PolarHBondContact N-OE1 3.08Å; D330-E352 VanDerWaalsContact N-OE1 3.1Å; D330-E352 WeakPolarHBondContact OD1-CG 3.08Å; G331-E352 PolarHBondContact N-OE1 2.87Å; V333-E352 HydrophobicContact CB-CB 3.85Å; V333-E352 HydrophobicContact CG2-CB 3.9Å; V333-E352 WeakPolarHBondContact CG2-O 3.07Å; F335-E352 HydrophobicContact CE2-CB 4.17Å; G347-E352 WeakPolarHBondContact CA-O 3.36Å; N348-E352 PolarHBondContact N-O 3.38Å
353	Y	98.8	Very high	97.5	Very high	4 Å²	4	28.5 Å²	28.5	2%	0.016	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	166.1	174.4	77.2	-78.2	0	0	0	114.1	Y312 I324 Q326 R327 F346 P349 L355	Y312-Y353 PolarHBondContact N-OH 2.9Å; I324-Y353 VanDerWaalsContact CB-OH 3.3Å; I324-Y353 WeakPolarHBondContact CB-OH 3.5Å; I324-Y353 HydrophobicContact CG2-CE1 3.88Å; I324-Y353 WeakPolarHBondContact CG2-OH 3.36Å; I324-Y353 PolarHBondContact O-OH 3.24Å; Q326-Y353 WeakPolarHBondContact CA-O 3.36Å; R327-Y353 HydrophobicContact CB-CD1 4.39Å; R327-Y353 HydrophobicContact CB-CE1 4.46Å; R327-Y353 PolarHBondContact N-O 3.41Å; R327-Y353 VanDerWaalsContact N-O 3.08Å; R327-Y353 PolarHBondContact O-N 3.41Å; F346-Y353 CarbonylContact O-C 3.48Å; F346-Y353 VanDerWaalsContact O-CA 3.3Å; F346-Y353 WeakPolarHBondContact O-CA 3.48Å; F346-Y353 WeakPolarHBondContact O-CB 3.47Å; P349-Y353 HydrophobicContact CB-CE1 4.36Å; Y353-L355 HydrophobicContact CD2-CB 4.44Å; Y353-L355 HydrophobicContact CE2-CB 3.99Å; Y353-L355 HydrophobicContact CE2-CD1 4.16Å
354	W	98.8	Very high	97.4	Very high	6 Å²	6	26.3 Å²	26.3	2%	0.023	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	126.9	162.8	-174.4	-99.7	0	0	0	108.6	Q326 F335 Y342 G345 F346 G356 N357 F423 W445 W446 N456 M489	Q326-W354 HydrophobicContact CB-CE3 3.69Å; Q326-W354 HydrophobicContact CB-CZ3 3.75Å; Q326-W354 HydrophobicContact CG-CE3 3.59Å; Q326-W354 HydrophobicContact CG-CZ3 3.79Å; F335-W354 HydrophobicContact CE1-CB 4.3Å; Y342-W354 AromaticContact CD1-CD1 3.71Å; Y342-W354 HydrophobicContact CD1-CD2 4.02Å; Y342-W354 AromaticContact CD1-CE2 3.87Å; Y342-W354 AromaticContact CD1-CG 3.96Å; Y342-W354 HydrophobicContact CD1-CG 3.96Å; Y342-W354 AromaticContact CD1-NE1 3.66Å; Y342-W354 AromaticContact CE1-CD2 3.99Å; Y342-W354 HydrophobicContact CE1-CD2 3.99Å; Y342-W354 HydrophobicContact CE1-CE3 4.37Å; Y342-W354 HydrophobicContact CE1-CG 4.07Å; Y342-W354 PolarHBondContact O-NE1 3.36Å; G345-W354 CarbonylContact C-O 3.57Å; G345-W354 WeakPolarHBondContact CA-O 3.28Å; F346-W354 HydrophobicContact CD1-CB 4.03Å; F346-W354 HydrophobicContact CE1-CB 3.61Å; F346-W354 HydrophobicContact CE1-CG 4.08Å; F346-W354 HydrophobicContact CE2-CB 4.16Å; F346-W354 HydrophobicContact CG-CB 4.48Å; F346-W354 HydrophobicContact CZ-CB 3.67Å; F346-W354 HydrophobicContact CZ-CG 4.39Å; F346-W354 PolarHBondContact N-O 2.91Å; F346-W354 PolarHBondContact O-N 3.15Å; W354-G356 VanDerWaalsContact CD1-N 3.32Å; W354-G356 PolarHBondContact O-N 3.39Å; W354-N357 VanDerWaalsContact CE2-OD1 3.29Å; W354-N357 VanDerWaalsContact CZ2-OD1 3.24Å; W354-N357 WeakPolarHBondContact CZ2-OD1 3.43Å; W354-N357 PolarHBondContact NE1-OD1 3.2Å; W354-F423 HydrophobicContact CH2-CE2 4.41Å; W354-F423 HydrophobicContact CZ2-CE2 4.17Å; W354-F423 HydrophobicContact CZ2-CZ 4.28Å; W354-W445 HydrophobicContact CZ3-CZ3 4.41Å; W354-W446 AromaticContact CH2-CH2 3.71Å; W354-W446 HydrophobicContact CH2-CH2 3.71Å; W354-W446 HydrophobicContact CH2-CZ2 4.49Å; W354-W446 HydrophobicContact CH2-CZ3 4.2Å; W354-W446 HydrophobicContact CZ2-CH2 4.14Å; W354-N456 WeakPolarHBondContact CZ3-ND2 3.21Å; W354-M489 HydrophobicContact CZ3-SD 4.28Å
355	L	98.3	Very high	97.3	Very high	6 Å²	6	26.6 Å²	26.6	3%	0.031	16%	0.164	C	C	.	.			trans	-70.3	-29.9	-174	-176.1	62.9	0	0	0	113.3	I309 A311 T323 I325 Y353 F359 V360	I309-L355 HydrophobicContact CD1-CD1 3.76Å; I309-L355 HydrophobicContact CD1-CG 4.21Å; I309-L355 WeakPolarHBondContact CD1-O 3.23Å; I309-L355 HydrophobicContact CG1-CD1 3.98Å; I309-L355 HydrophobicContact CG2-CD1 4.33Å; A311-L355 HydrophobicContact CB-CD1 3.9Å; A311-L355 HydrophobicContact CB-CD2 4.42Å; T323-L355 HydrophobicContact CG2-CD2 4.16Å; I325-L355 HydrophobicContact CB-CB 4.35Å; I325-L355 HydrophobicContact CB-CD2 4.49Å; I325-L355 HydrophobicContact CG2-CD2 4Å; I325-L355 PolarHBondContact O-N 3.2Å; Y353-L355 HydrophobicContact CD2-CB 4.44Å; Y353-L355 HydrophobicContact CE2-CB 3.99Å; Y353-L355 HydrophobicContact CE2-CD1 4.16Å; L355-F359 HydrophobicContact CD2-CD1 3.66Å; L355-F359 HydrophobicContact CD2-CE1 3.9Å; L355-F359 HydrophobicContact CG-CD1 4.11Å; L355-V360 HydrophobicContact CB-CG2 4.49Å; L355-V360 HydrophobicContact CD2-CG2 4.19Å
356	G	98.1	Very high	96.9	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.01	17%	0.172	C	C	.	.			trans	116.9	128.5	-178.9	0	0	0	0	0	113	Y342 K343 W354 E358 V360	Y342-G356 WeakPolarHBondContact O-CA 3.38Å; K343-G356 CarbonylContact O-C 3.58Å; K343-G356 WeakPolarHBondContact O-CA 3.48Å; W354-G356 VanDerWaalsContact CD1-N 3.32Å; W354-G356 PolarHBondContact O-N 3.39Å; G356-E358 VanDerWaalsContact C-N 3.27Å; G356-E358 PolarHBondContact O-N 3.32Å; G356-V360 WeakPolarHBondContact O-CG2 3.49Å; G356-V360 PolarHBondContact O-N 3.43Å
357	N	98.5	Very high	96.7	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-63.3	-33.2	-176.7	-64.8	-4.9	0	0	0	112.4	Y342 K343 W354 S361 Y399 F423	Y342-N357 VanDerWaalsContact O-CG 3.25Å; Y342-N357 PolarHBondContact O-N 2.86Å; Y342-N357 PolarHBondContact O-OD1 3.1Å; K343-N357 PolarHBondContact O-N 3.03Å; W354-N357 VanDerWaalsContact CE2-OD1 3.29Å; W354-N357 VanDerWaalsContact CZ2-OD1 3.24Å; W354-N357 WeakPolarHBondContact CZ2-OD1 3.43Å; W354-N357 PolarHBondContact NE1-OD1 3.2Å; N357-S361 WeakPolarHBondContact O-CB 3.36Å; N357-S361 PolarHBondContact O-N 3.27Å; N357-Y399 HydrophobicContact CB-CD1 3.69Å; N357-Y399 HydrophobicContact CB-CD2 3.7Å; N357-Y399 HydrophobicContact CB-CE1 3.86Å; N357-Y399 HydrophobicContact CB-CE2 3.87Å; N357-Y399 HydrophobicContact CB-CG 3.6Å; N357-F423 WeakPolarHBondContact ND2-CD1 3.41Å
358	E	96.9	Very high	96.7	Very high	43 Å²	43	33.8 Å²	33.8	20%	0.201	18%	0.176	C	C	.	.	H	α-helix	trans	-64.4	-53.6	-179.2	-168.7	58.1	-133.9	0	0	111.2	K343 G356 V360 S361 Q362 Y399	K343-E358 WeakPolarHBondContact CE-OE2 3.31Å; K343-E358 HydrophobicContact CG-CB 3.97Å; K343-E358 IonicContact NZ-OE2 2.7Å; K343-E358 PolarHBondContact NZ-OE2 3.35Å; K343-E358 PolarHBondContact O-N 2.88Å; K343-E358 VanDerWaalsContact O-N 3.11Å; G356-E358 VanDerWaalsContact C-N 3.27Å; G356-E358 PolarHBondContact O-N 3.32Å; E358-V360 PolarHBondContact O-N 3.1Å; E358-S361 PolarHBondContact O-N 2.94Å; E358-Q362 PolarHBondContact O-N 3.1Å; E358-Q362 PolarHBondContact OE1-NE2 2.9Å; E358-Y399 PolarHBondContact OE2-OH 2.94Å
359	F	96.3	Very high	96.7	Very high	13 Å²	13	29.6 Å²	29.6	6%	0.057	15%	0.153	C	C	.	.	H	α-helix	trans	-60.9	-45.7	179.4	-178.1	-88.6	0	0	0	111.5	L300 L302 I309 L355 S361 Q362 L363	L300-F359 HydrophobicContact CB-CE2 4.31Å; L300-F359 HydrophobicContact CB-CZ 3.84Å; L300-F359 HydrophobicContact CD1-CE1 4.23Å; L300-F359 HydrophobicContact CD1-CZ 3.96Å; L302-F359 HydrophobicContact CD1-CD2 3.59Å; L302-F359 HydrophobicContact CD1-CE2 4.12Å; L302-F359 HydrophobicContact CD1-CG 4.39Å; L302-F359 HydrophobicContact CD2-CD2 4.13Å; L302-F359 HydrophobicContact CD2-CE2 4.05Å; L302-F359 HydrophobicContact CG-CD2 3.64Å; L302-F359 HydrophobicContact CG-CE2 3.62Å; I309-F359 HydrophobicContact CB-CD2 4.23Å; I309-F359 HydrophobicContact CB-CE2 4.37Å; I309-F359 HydrophobicContact CD1-CB 4.05Å; I309-F359 HydrophobicContact CD1-CD2 4.39Å; I309-F359 HydrophobicContact CD1-CG 4.15Å; I309-F359 HydrophobicContact CG2-CD1 4.22Å; I309-F359 HydrophobicContact CG2-CD2 3.5Å; I309-F359 HydrophobicContact CG2-CE1 4.06Å; I309-F359 HydrophobicContact CG2-CE2 3.31Å; I309-F359 HydrophobicContact CG2-CG 3.97Å; I309-F359 HydrophobicContact CG2-CZ 3.63Å; L355-F359 HydrophobicContact CD2-CD1 3.66Å; L355-F359 HydrophobicContact CD2-CE1 3.9Å; L355-F359 HydrophobicContact CG-CD1 4.11Å; F359-S361 VanDerWaalsContact C-N 3.34Å; F359-S361 PolarHBondContact O-N 3.37Å; F359-Q362 PolarHBondContact O-N 3.28Å; F359-L363 HydrophobicContact CE1-CD2 3.75Å; F359-L363 HydrophobicContact CZ-CD2 4.25Å; F359-L363 WeakPolarHBondContact O-CB 2.95Å; F359-L363 PolarHBondContact O-N 3.48Å
360	V	97.8	Very high	96.8	Very high	4 Å²	4	29.2 Å²	29.2	2%	0.024	15%	0.15	C	C	.	.	H	α-helix	trans	-64.6	-37.8	178.2	177.4	0	0	0	0	111.4	I325 L355 G356 E358 T364 F390 L392	I325-V360 HydrophobicContact CB-CG2 3.98Å; I325-V360 HydrophobicContact CD1-CG1 4.26Å; I325-V360 HydrophobicContact CG2-CG2 3.74Å; L355-V360 HydrophobicContact CB-CG2 4.49Å; L355-V360 HydrophobicContact CD2-CG2 4.19Å; G356-V360 WeakPolarHBondContact O-CG2 3.49Å; G356-V360 PolarHBondContact O-N 3.43Å; E358-V360 PolarHBondContact O-N 3.1Å; V360-T364 HydrophobicContact CG1-CG2 4.26Å; V360-T364 WeakPolarHBondContact O-CB 3.01Å; V360-T364 VanDerWaalsContact O-CG2 3.31Å; V360-T364 WeakPolarHBondContact O-CG2 3.44Å; V360-T364 PolarHBondContact O-N 2.91Å; V360-T364 PolarHBondContact O-OG1 3.41Å; V360-F390 HydrophobicContact CG1-CE1 3.82Å; V360-F390 HydrophobicContact CG1-CZ 3.92Å; V360-L392 HydrophobicContact CB-CD1 4.11Å; V360-L392 HydrophobicContact CG1-CD1 3.74Å; V360-L392 HydrophobicContact CG1-CG 4.12Å
361	S	97.6	Very high	97	Very high	5 Å²	5	25.4 Å²	25.4	4%	0.035	12%	0.123	C	C	.	.	H	α-helix	trans	-66.3	-53.2	176	-174.7	0	0	0	0	111.7	N357 E358 F359 L363 T364 N365 L392 S393	N357-S361 WeakPolarHBondContact O-CB 3.36Å; N357-S361 PolarHBondContact O-N 3.27Å; E358-S361 PolarHBondContact O-N 2.94Å; F359-S361 VanDerWaalsContact C-N 3.34Å; F359-S361 PolarHBondContact O-N 3.37Å; S361-L363 VanDerWaalsContact C-N 3.31Å; S361-L363 PolarHBondContact O-N 3Å; S361-T364 PolarHBondContact O-N 3.21Å; S361-N365 PolarHBondContact O-N 3.1Å; S361-N365 VanDerWaalsContact O-N 3.13Å; S361-N365 PolarHBondContact O-ND2 3.34Å; S361-L392 PolarHBondContact OG-O 2.84Å; S361-S393 VanDerWaalsContact OG-C 3.29Å; S361-S393 PolarHBondContact OG-O 2.95Å
362	Q	95.3	Very high	97	Very high	77 Å²	77	26 Å²	26	36%	0.36	12%	0.121	S	C	.	.	H	α-helix	trans	-60	-42.4	-179.9	-68.4	-170.7	34.2	0	0	111.7	L302 E358 F359 Q366	L302-Q362 HydrophobicContact CD1-CB 4Å; L302-Q362 HydrophobicContact CD2-CB 3.82Å; E358-Q362 PolarHBondContact O-N 3.1Å; E358-Q362 PolarHBondContact OE1-NE2 2.9Å; F359-Q362 PolarHBondContact O-N 3.28Å; Q362-Q366 VanDerWaalsContact O-CG 3.31Å; Q362-Q366 WeakPolarHBondContact O-CG 3.4Å; Q362-Q366 PolarHBondContact O-NE2 2.97Å
363	L	94.8	Very high	97	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-64.7	-48.7	177.7	-172.2	64.7	0	0	0	111.7	R282 D283 L302 F359 S361 N365 Q366 Y369 I491	R282-L363 HydrophobicContact CB-CD1 4.24Å; R282-L363 HydrophobicContact CG-CD1 4.04Å; D283-L363 HydrophobicContact CB-CD1 4.42Å; D283-L363 HydrophobicContact CB-CD2 4.13Å; L302-L363 HydrophobicContact CD2-CB 4.08Å; L302-L363 HydrophobicContact CD2-CD1 4.47Å; F359-L363 HydrophobicContact CE1-CD2 3.75Å; F359-L363 HydrophobicContact CZ-CD2 4.25Å; F359-L363 WeakPolarHBondContact O-CB 2.95Å; F359-L363 PolarHBondContact O-N 3.48Å; S361-L363 VanDerWaalsContact C-N 3.31Å; S361-L363 PolarHBondContact O-N 3Å; L363-N365 VanDerWaalsContact C-N 3.29Å; L363-N365 PolarHBondContact O-N 2.97Å; L363-Q366 PolarHBondContact O-N 3.39Å; L363-Y369 WeakPolarHBondContact CD1-OH 3.31Å; L363-Y369 HydrophobicContact CD2-CE1 4.36Å; L363-Y369 HydrophobicContact CG-CE1 4.34Å; L363-Y369 HydrophobicContact CG-CE2 4.07Å; L363-Y369 WeakPolarHBondContact CG-OH 3.44Å; L363-Y369 WeakPolarHBondContact O-CE2 3.18Å; L363-I491 HydrophobicContact CD2-CD1 4.06Å
364	T	96.9	Very high	97	Very high	4 Å²	4	27.7 Å²	27.7	3%	0.025	13%	0.129	C	C	.	.	H	α-helix	trans	-75.2	-9.4	-175.2	59	0	0	0	0	115.7	V360 S361 Y369 F390 Y391 L392 I491	V360-T364 HydrophobicContact CG1-CG2 4.26Å; V360-T364 WeakPolarHBondContact O-CB 3.01Å; V360-T364 VanDerWaalsContact O-CG2 3.31Å; V360-T364 WeakPolarHBondContact O-CG2 3.44Å; V360-T364 PolarHBondContact O-N 2.91Å; V360-T364 PolarHBondContact O-OG1 3.41Å; S361-T364 PolarHBondContact O-N 3.21Å; T364-Y369 HydrophobicContact CG2-CD2 3.83Å; T364-Y369 HydrophobicContact CG2-CG 4.02Å; T364-F390 HydrophobicContact CG2-CD1 3.94Å; T364-F390 HydrophobicContact CG2-CE1 3.82Å; T364-Y391 WeakPolarHBondContact O-CB 3.22Å; T364-Y391 WeakPolarHBondContact OG1-CA 3.37Å; T364-L392 PolarHBondContact OG1-N 2.9Å; T364-I491 HydrophobicContact CG2-CD1 3.89Å
365	N	95.4	Very high	97	Very high	93 Å²	93	27.4 Å²	27.4	50%	0.497	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-10.4	169.9	-73.7	-80.6	0	0	0	113.8	S361 L363 L392	S361-N365 PolarHBondContact O-N 3.1Å; S361-N365 VanDerWaalsContact O-N 3.13Å; S361-N365 PolarHBondContact O-ND2 3.34Å; L363-N365 VanDerWaalsContact C-N 3.29Å; L363-N365 PolarHBondContact O-N 2.97Å; N365-L392 PolarHBondContact ND2-O 3.17Å
366	Q	90.3	Very high	97	Very high	75 Å²	75	30.9 Å²	30.9	35%	0.35	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-38.1	179	-70.2	160.6	24.3	0	0	113	Q362 L363	Q362-Q366 VanDerWaalsContact O-CG 3.31Å; Q362-Q366 WeakPolarHBondContact O-CG 3.4Å; Q362-Q366 PolarHBondContact O-NE2 2.97Å; L363-Q366 PolarHBondContact O-N 3.39Å
367	Q	93.8	Very high	97	Very high	51 Å²	51	31 Å²	31	24%	0.238	14%	0.143	C	C	.	.	S	Bend	trans	-151.7	163.8	-179.8	61.9	-170.1	7.6	0	0	109.8	Y369	Q367-Y369 HydrophobicContact CG-CD2 4.21Å; Q367-Y369 HydrophobicContact CG-CE2 3.41Å; Q367-Y369 VanDerWaalsContact CG-CE2 3.41Å; Q367-Y369 PolarHBondContact NE2-OH 3.03Å; Q367-Y369 WeakPolarHBondContact O-CD2 3.38Å; Q367-Y369 WeakPolarHBondContact O-CE2 3.46Å; Q367-Y369 PolarHBondContact O-N 2.92Å
368	R	97.4	Very high	97	Very high	117 Å²	117	32.5 Å²	32.5	44%	0.442	15%	0.149	S	C	.	.	P	Polyproline II helix	trans	-75	116.3	-178.2	174.6	174.6	166.2	-163.1	-12.9	110.6	E388 H389 A494	R368-E388 PolarHBondContact NE-O 3.35Å; R368-E388 PolarHBondContact NH2-O 2.88Å; R368-E388 IonicContact NH2-OE2 3.18Å; R368-E388 PolarHBondContact NH2-OE2 3.04Å; R368-H389 HydrophobicContact CG-CB 4.46Å; R368-A494 HydrophobicContact CB-CB 4.4Å; R368-A494 HydrophobicContact CG-CB 3.87Å; R368-A494 WeakPolarHBondContact O-CB 3.4Å; R368-A494 PolarHBondContact O-N 3.49Å
369	Y	98.4	Very high	97	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	148	171.3	-71	-99.7	0	0	0	112	D283 L363 T364 Q367 H389 F390 I491 R492 P493	D283-Y369 WeakPolarHBondContact OD2-CE1 3.17Å; D283-Y369 PolarHBondContact OD2-OH 3.38Å; L363-Y369 WeakPolarHBondContact CD1-OH 3.31Å; L363-Y369 HydrophobicContact CD2-CE1 4.36Å; L363-Y369 HydrophobicContact CG-CE1 4.34Å; L363-Y369 HydrophobicContact CG-CE2 4.07Å; L363-Y369 WeakPolarHBondContact CG-OH 3.44Å; L363-Y369 WeakPolarHBondContact O-CE2 3.18Å; T364-Y369 HydrophobicContact CG2-CD2 3.83Å; T364-Y369 HydrophobicContact CG2-CG 4.02Å; Q367-Y369 HydrophobicContact CG-CD2 4.21Å; Q367-Y369 HydrophobicContact CG-CE2 3.41Å; Q367-Y369 VanDerWaalsContact CG-CE2 3.41Å; Q367-Y369 PolarHBondContact NE2-OH 3.03Å; Q367-Y369 WeakPolarHBondContact O-CD2 3.38Å; Q367-Y369 WeakPolarHBondContact O-CE2 3.46Å; Q367-Y369 PolarHBondContact O-N 2.92Å; Y369-H389 WeakPolarHBondContact O-CA 3.5Å; Y369-F390 PolarHBondContact O-N 2.98Å; Y369-I491 HydrophobicContact CD1-CB 4.05Å; Y369-I491 HydrophobicContact CD1-CD1 4.08Å; Y369-I491 HydrophobicContact CD1-CG1 4.09Å; Y369-I491 HydrophobicContact CE1-CD1 4.46Å; Y369-I491 HydrophobicContact CG-CD1 4.49Å; Y369-R492 CarbonylContact C-O 3.55Å; Y369-R492 WeakPolarHBondContact CA-O 3.26Å; Y369-R492 WeakPolarHBondContact CD1-O 3.27Å; Y369-P493 HydrophobicContact CD1-CG 4.37Å; Y369-P493 HydrophobicContact CE1-CG 3.79Å
370	V	98.4	Very high	97	Very high	15 Å²	15	38 Å²	38	9%	0.091	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	144	158.3	-63.9	0	0	0	0	109.7	W322 L386 Y387 I491 R492 A494	W322-V370 HydrophobicContact CH2-CG2 3.85Å; W322-V370 HydrophobicContact CZ3-CG2 3.94Å; V370-L386 HydrophobicContact CB-CD1 4.18Å; V370-L386 HydrophobicContact CG2-CD1 4.39Å; V370-Y387 VanDerWaalsContact CA-O 3.26Å; V370-Y387 WeakPolarHBondContact CA-O 3.14Å; V370-Y387 WeakPolarHBondContact CB-O 3.06Å; V370-I491 VanDerWaalsContact O-CA 3.31Å; V370-I491 WeakPolarHBondContact O-CA 3.38Å; V370-R492 HydrophobicContact CG2-CB 4.31Å; V370-R492 WeakPolarHBondContact CG2-O 3.47Å; V370-R492 PolarHBondContact N-O 3.23Å; V370-R492 PolarHBondContact O-N 2.89Å; V370-A494 HydrophobicContact CG1-CB 4.05Å
371	L	98.6	Very high	97	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	120.2	172.3	168.9	66	0	0	0	109.6	I325 I373 L386 Y387 F390 L403 M489 I491	I325-L371 HydrophobicContact CD1-CD1 4.2Å; L371-I373 HydrophobicContact CD1-CG1 4.18Å; L371-I373 HydrophobicContact CD2-CD1 4.12Å; L371-I373 HydrophobicContact CD2-CG1 4.19Å; L371-I373 HydrophobicContact CG-CD1 4.46Å; L371-I373 HydrophobicContact CG-CG1 3.99Å; L371-L386 CarbonylContact O-C 3.23Å; L371-L386 WeakPolarHBondContact O-CA 3.36Å; L371-Y387 HydrophobicContact CD2-CD2 4.27Å; L371-Y387 HydrophobicContact CG-CD2 4.37Å; L371-Y387 PolarHBondContact N-O 2.84Å; L371-Y387 VanDerWaalsContact N-O 3.08Å; L371-Y387 PolarHBondContact O-N 3.49Å; L371-F390 HydrophobicContact CB-CB 3.39Å; L371-F390 HydrophobicContact CB-CD1 3.91Å; L371-F390 HydrophobicContact CB-CD2 4.29Å; L371-F390 HydrophobicContact CB-CG 3.61Å; L371-F390 HydrophobicContact CD2-CB 4.3Å; L371-F390 HydrophobicContact CD2-CD1 4.43Å; L371-F390 HydrophobicContact CD2-CD2 3.68Å; L371-F390 HydrophobicContact CD2-CE2 4.01Å; L371-F390 HydrophobicContact CD2-CG 3.88Å; L371-F390 HydrophobicContact CG-CB 4.47Å; L371-F390 HydrophobicContact CG-CG 4.28Å; L371-L403 HydrophobicContact CD2-CD2 3.96Å; L371-M489 HydrophobicContact CD1-CB 4.27Å; L371-M489 HydrophobicContact CD1-CE 4.22Å; L371-M489 HydrophobicContact CD2-CE 4.14Å; L371-I491 HydrophobicContact CB-CG2 4.34Å; L371-I491 HydrophobicContact CD1-CG2 3.85Å
372	K	98.5	Very high	97	Very high	30 Å²	30	46.8 Å²	46.8	13%	0.13	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	125.3	171.5	-179	-179.3	167.7	-157.3	0	108.6	W322 S385 L386 M490	W322-K372 HydrophobicContact CE3-CB 4.22Å; W322-K372 HydrophobicContact CH2-CB 3.72Å; W322-K372 HydrophobicContact CH2-CD 3.78Å; W322-K372 HydrophobicContact CH2-CG 4.42Å; W322-K372 HydrophobicContact CZ2-CB 4.5Å; W322-K372 HydrophobicContact CZ2-CD 3.72Å; W322-K372 HydrophobicContact CZ3-CB 3.55Å; W322-K372 HydrophobicContact CZ3-CD 4.18Å; K372-S385 WeakPolarHBondContact CA-O 3.46Å; K372-L386 HydrophobicContact CB-CD1 3.87Å; K372-L386 HydrophobicContact CG-CD1 4.49Å; K372-M490 HydrophobicContact CB-CG 3.86Å; K372-M490 HydrophobicContact CB-SD 4.42Å; K372-M490 HydrophobicContact CD-CG 4.36Å; K372-M490 HydrophobicContact CD-SD 3.83Å; K372-M490 HydrophobicContact CG-CG 4.28Å; K372-M490 HydrophobicContact CG-SD 4.3Å; K372-M490 PolarHBondContact N-O 2.79Å; K372-M490 WeakPolarHBondContact O-CG 3.49Å; K372-M490 PolarHBondContact O-N 3.03Å
373	I	98.8	Very high	97.1	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	112.6	174.7	-56.9	-176.6	0	0	0	106.6	L371 L375 Y384 S385 Y387 I416 L455 W474 T488 M489	L371-I373 HydrophobicContact CD1-CG1 4.18Å; L371-I373 HydrophobicContact CD2-CD1 4.12Å; L371-I373 HydrophobicContact CD2-CG1 4.19Å; L371-I373 HydrophobicContact CG-CD1 4.46Å; L371-I373 HydrophobicContact CG-CG1 3.99Å; I373-L375 HydrophobicContact CG2-CD2 3.65Å; I373-L375 HydrophobicContact CG2-CG 4.13Å; I373-Y384 CarbonylContact O-C 3.38Å; I373-Y384 WeakPolarHBondContact O-CA 3.36Å; I373-Y384 WeakPolarHBondContact O-CB 3.4Å; I373-S385 PolarHBondContact N-O 3.05Å; I373-S385 PolarHBondContact O-N 3.3Å; I373-Y387 HydrophobicContact CD1-CE2 4.02Å; I373-I416 HydrophobicContact CD1-CD1 4.02Å; I373-L455 HydrophobicContact CG2-CD1 3.61Å; I373-W474 HydrophobicContact CD1-CH2 3.64Å; I373-W474 HydrophobicContact CD1-CZ3 3.92Å; I373-T488 CarbonylContact C-O 3.5Å; I373-T488 WeakPolarHBondContact CA-O 3.49Å; I373-M489 HydrophobicContact CD1-CE 4.14Å; I373-M489 HydrophobicContact CG1-CE 4.45Å; I373-M489 HydrophobicContact CG1-CG 4.25Å; I373-M489 HydrophobicContact CG2-CG 4.43Å
374	H	98.5	Very high	97.3	Very high	42 Å²	42	47.6 Å²	47.6	19%	0.194	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	138.3	176.1	-165.3	-85.5	0	0	0	110.5	E382 T487 T488	H374-E382 IonicContact CE1-OE2 3.34Å; H374-E382 PolarHBondContact CE1-OE2 3.02Å; H374-E382 VanDerWaalsContact CE1-OE2 3.23Å; H374-E382 IonicContact NE2-OE2 2.97Å; H374-T487 CarbonylContact O-C 3.59Å; H374-T487 WeakPolarHBondContact O-CA 3.4Å; H374-T488 PolarHBondContact N-O 3.44Å; H374-T488 PolarHBondContact O-N 3.3Å
375	L	98.8	Very high	97.4	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	137.6	-170.2	-53.3	174	0	0	0	110.1	I373 E382 A383 A410 L455 W474 W477 L484 T487	I373-L375 HydrophobicContact CG2-CD2 3.65Å; I373-L375 HydrophobicContact CG2-CG 4.13Å; L375-E382 WeakPolarHBondContact O-CA 3.47Å; L375-A383 PolarHBondContact N-O 3.14Å; L375-A383 PolarHBondContact O-N 2.92Å; L375-A410 HydrophobicContact CD1-CB 3.83Å; L375-L455 HydrophobicContact CD2-CD1 4.24Å; L375-L455 HydrophobicContact CD2-CD2 4.09Å; L375-W474 HydrophobicContact CD1-CB 3.88Å; L375-W474 HydrophobicContact CD1-CD2 3.93Å; L375-W474 HydrophobicContact CD1-CG 3.51Å; L375-W477 HydrophobicContact CB-CE3 3.76Å; L375-W477 HydrophobicContact CB-CH2 4.3Å; L375-W477 HydrophobicContact CB-CZ3 3.42Å; L375-W477 VanDerWaalsContact CB-CZ3 3.42Å; L375-W477 HydrophobicContact CD1-CE3 3.92Å; L375-W477 HydrophobicContact CD1-CZ3 4.45Å; L375-L484 HydrophobicContact CB-CD1 4.07Å; L375-L484 HydrophobicContact CD1-CD1 4.24Å; L375-L484 HydrophobicContact CD2-CD1 3.73Å; L375-L484 HydrophobicContact CG-CD1 4.24Å; L375-T487 HydrophobicContact CD2-CG2 3.74Å
376	K	98.6	Very high	97.5	Very high	78 Å²	78	44.7 Å²	44.7	34%	0.339	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	139.7	173.9	-50.2	-165.5	179.7	-146.4	0	110.8	E382 K485 A486	K376-E382 HydrophobicContact CB-CG 4.44Å; K376-E382 HydrophobicContact CD-CG 4.09Å; K376-E382 WeakPolarHBondContact CD-OE1 3.09Å; K376-E382 WeakPolarHBondContact CE-OE1 3.33Å; K376-E382 WeakPolarHBondContact CE-OE2 3.38Å; K376-E382 HydrophobicContact CG-CG 3.93Å; K376-E382 IonicContact NZ-OE1 3.13Å; K376-E382 PolarHBondContact NZ-OE1 3.38Å; K376-E382 IonicContact NZ-OE2 3.72Å; K376-E382 PolarHBondContact NZ-OE2 3.42Å; K376-K485 PolarHBondContact O-N 2.9Å; K376-A486 HydrophobicContact CB-CB 4.14Å; K376-A486 HydrophobicContact CG-CB 4.32Å; K376-A486 PolarHBondContact N-O 3.11Å; K376-A486 PolarHBondContact O-N 3.03Å
377	D	98.1	Very high	97.9	Very high	3 Å²	3	41.1 Å²	41.1	2%	0.016	20%	0.202	C	C	.	.			trans	-99.5	177.8	177.5	79.1	17.4	0	0	0	112.8	E379 G380 N381 W477 K478 Y482 K485	D377-E379 VanDerWaalsContact C-N 3.3Å; D377-E379 WeakPolarHBondContact OD1-CA 3.31Å; D377-E379 WeakPolarHBondContact OD1-CB 3.48Å; D377-E379 PolarHBondContact OD1-N 2.98Å; D377-G380 PolarHBondContact OD1-N 3.5Å; D377-N381 PolarHBondContact N-O 3.4Å; D377-N381 PolarHBondContact OD1-N 3.04Å; D377-N381 PolarHBondContact OD1-ND2 2.97Å; D377-N381 WeakPolarHBondContact OD2-CB 3.33Å; D377-N381 PolarHBondContact OD2-ND2 3.18Å; D377-W477 HydrophobicContact CB-CH2 3.85Å; D377-W477 HydrophobicContact CB-CZ2 4.43Å; D377-W477 HydrophobicContact CB-CZ3 4.34Å; D377-K478 HydrophobicContact CB-CD 4.31Å; D377-K478 IonicContact OD2-NZ 2.84Å; D377-K478 PolarHBondContact OD2-NZ 3.39Å; D377-Y482 HydrophobicContact CB-CE1 3.98Å; D377-Y482 WeakPolarHBondContact CB-OH 3.47Å; D377-K485 WeakPolarHBondContact O-CB 3.41Å
378	W	97.6	Very high	98.1	Very high	33 Å²	33	42.5 Å²	42.5	13%	0.125	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-5	-179.4	-69.1	95.3	0	0	0	114.3	Y459 Y460 Q462 N465 Y482 S483 L484 K485	W378-Y459 AromaticContact CH2-CE1 3.78Å; W378-Y459 HydrophobicContact CH2-CE1 3.78Å; W378-Y459 AromaticContact CH2-CZ 3.84Å; W378-Y459 WeakPolarHBondContact CH2-OH 3.31Å; W378-Y459 AromaticContact CZ2-CE1 3.64Å; W378-Y459 HydrophobicContact CZ2-CE1 3.64Å; W378-Y459 AromaticContact CZ2-CZ 3.71Å; W378-Y459 WeakPolarHBondContact CZ2-OH 3.26Å; W378-Y460 WeakPolarHBondContact CZ2-O 3.44Å; W378-Q462 HydrophobicContact CB-CG 4.28Å; W378-Q462 HydrophobicContact CD2-CB 4.09Å; W378-Q462 HydrophobicContact CD2-CG 4.31Å; W378-Q462 HydrophobicContact CE3-CB 3.43Å; W378-Q462 VanDerWaalsContact CE3-CB 3.43Å; W378-Q462 HydrophobicContact CE3-CG 3.78Å; W378-Q462 HydrophobicContact CZ3-CB 3.74Å; W378-Q462 PolarHBondContact O-NE2 2.89Å; W378-N465 VanDerWaalsContact CD1-ND2 3.34Å; W378-N465 HydrophobicContact CG-CB 4.28Å; W378-Y482 WeakPolarHBondContact CB-OH 3.41Å; W378-Y482 PolarHBondContact N-OH 3.19Å; W378-S483 VanDerWaalsContact CD1-O 3.29Å; W378-S483 PolarHBondContact NE1-O 3.3Å; W378-L484 PolarHBondContact NE1-O 3.46Å; W378-K485 HydrophobicContact CD2-CB 3.74Å; W378-K485 HydrophobicContact CD2-CD 4.3Å; W378-K485 HydrophobicContact CD2-CG 3.94Å; W378-K485 HydrophobicContact CE3-CB 4.17Å; W378-K485 HydrophobicContact CE3-CD 3.9Å; W378-K485 HydrophobicContact CE3-CG 3.85Å; W378-K485 HydrophobicContact CG-CB 4.03Å; W378-K485 HydrophobicContact CH2-CB 4.48Å; W378-K485 HydrophobicContact CH2-CG 3.92Å; W378-K485 HydrophobicContact CZ2-CB 4.06Å; W378-K485 HydrophobicContact CZ2-CG 3.99Å; W378-K485 HydrophobicContact CZ3-CD 4.09Å; W378-K485 HydrophobicContact CZ3-CG 3.85Å
379	E	96.9	Very high	98.2	Very high	112 Å²	112	39.3 Å²	39.3	52%	0.523	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-7.2	177.3	-62.9	87.2	-114.6	0	0	112.2	D377 K478 Y482	D377-E379 VanDerWaalsContact C-N 3.3Å; D377-E379 WeakPolarHBondContact OD1-CA 3.31Å; D377-E379 WeakPolarHBondContact OD1-CB 3.48Å; D377-E379 PolarHBondContact OD1-N 2.98Å; E379-K478 IonicContact OE2-NZ 2.71Å; E379-K478 PolarHBondContact OE2-NZ 2.96Å; E379-Y482 PolarHBondContact OE1-OH 2.93Å; E379-Y482 PolarHBondContact OE2-OH 3.26Å; E379-Y482 VanDerWaalsContact OE2-OH 3.11Å
380	G	95.9	Very high	98.2	Very high	60 Å²	60	39.3 Å²	39.3	62%	0.619	20%	0.199	S	C	*	.	S	Bend	trans	96	10.3	177.7	0	0	0	0	0	114.6	D377	D377-G380 PolarHBondContact OD1-N 3.5Å
381	N	98.1	Very high	98.2	Very high	88 Å²	88	41.4 Å²	41.4	47%	0.471	21%	0.206	S	C	.	.			trans	-86.1	149	174.5	-44	-83.6	0	0	0	110.6	D377 W477	D377-N381 PolarHBondContact N-O 3.4Å; D377-N381 PolarHBondContact OD1-N 3.04Å; D377-N381 PolarHBondContact OD1-ND2 2.97Å; D377-N381 WeakPolarHBondContact OD2-CB 3.33Å; D377-N381 PolarHBondContact OD2-ND2 3.18Å; N381-W477 HydrophobicContact CB-CZ2 4.23Å; N381-W477 WeakPolarHBondContact O-CH2 3.31Å
382	E	98.1	Very high	98.2	Very high	105 Å²	105	41.5 Å²	41.5	49%	0.491	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	141.1	-177.9	-52.6	-163.6	-173.9	0	0	110.2	H374 L375 K376	H374-E382 IonicContact CE1-OE2 3.34Å; H374-E382 PolarHBondContact CE1-OE2 3.02Å; H374-E382 VanDerWaalsContact CE1-OE2 3.23Å; H374-E382 IonicContact NE2-OE2 2.97Å; L375-E382 WeakPolarHBondContact O-CA 3.47Å; K376-E382 HydrophobicContact CB-CG 4.44Å; K376-E382 HydrophobicContact CD-CG 4.09Å; K376-E382 WeakPolarHBondContact CD-OE1 3.09Å; K376-E382 WeakPolarHBondContact CE-OE1 3.33Å; K376-E382 WeakPolarHBondContact CE-OE2 3.38Å; K376-E382 HydrophobicContact CG-CG 3.93Å; K376-E382 IonicContact NZ-OE1 3.13Å; K376-E382 PolarHBondContact NZ-OE1 3.38Å; K376-E382 IonicContact NZ-OE2 3.72Å; K376-E382 PolarHBondContact NZ-OE2 3.42Å
383	A	98.3	Very high	98.2	Very high	3 Å²	3	40.4 Å²	40.4	3%	0.025	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	161.8	179.3	0	0	0	0	0	111.3	L375 T409 A410 W477	L375-A383 PolarHBondContact N-O 3.14Å; L375-A383 PolarHBondContact O-N 2.92Å; A383-T409 WeakPolarHBondContact CA-OG1 3.4Å; A383-T409 WeakPolarHBondContact CB-OG1 3.34Å; A383-A410 HydrophobicContact CB-CB 3.87Å; A383-W477 HydrophobicContact CB-CD2 3.76Å; A383-W477 HydrophobicContact CB-CE3 4.31Å; A383-W477 HydrophobicContact CB-CG 4.19Å; A383-W477 HydrophobicContact CB-CH2 4.2Å; A383-W477 HydrophobicContact CB-CZ2 3.63Å
384	Y	98.4	Very high	98.1	Very high	90 Å²	90	42.6 Å²	42.6	35%	0.353	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	154.1	177.7	73.5	-84	0	0	0	113.4	I373 L386 G408 T409 A410	I373-Y384 CarbonylContact O-C 3.38Å; I373-Y384 WeakPolarHBondContact O-CA 3.36Å; I373-Y384 WeakPolarHBondContact O-CB 3.4Å; Y384-L386 HydrophobicContact CD2-CB 4.21Å; Y384-L386 HydrophobicContact CE2-CB 4.14Å; Y384-G408 VanDerWaalsContact CE2-CA 3.44Å; Y384-G408 CarbonylContact O-C 3.53Å; Y384-G408 WeakPolarHBondContact O-CA 3.42Å; Y384-T409 HydrophobicContact CE1-CG2 4.21Å; Y384-T409 PolarHBondContact N-OG1 3.41Å; Y384-T409 VanDerWaalsContact N-OG1 3.08Å; Y384-T409 PolarHBondContact O-N 2.91Å; Y384-A410 WeakPolarHBondContact O-CB 3.17Å; Y384-A410 PolarHBondContact O-N 2.84Å
385	S	98.4	Very high	98.1	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	135.9	161.3	-69.9	0	0	0	0	108.6	K372 I373 T407 W474	K372-S385 WeakPolarHBondContact CA-O 3.46Å; I373-S385 PolarHBondContact N-O 3.05Å; I373-S385 PolarHBondContact O-N 3.3Å; S385-T407 WeakPolarHBondContact CA-O 3.47Å; S385-W474 WeakPolarHBondContact OG-CZ2 3.08Å
386	L	98.4	Very high	98.1	Very high	37 Å²	37	50.9 Å²	50.9	19%	0.194	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	134.4	174.2	177	69.5	0	0	0	108.4	W322 V370 L371 K372 Y384 L406 T407	W322-L386 HydrophobicContact CH2-CD1 4.26Å; V370-L386 HydrophobicContact CB-CD1 4.18Å; V370-L386 HydrophobicContact CG2-CD1 4.39Å; L371-L386 CarbonylContact O-C 3.23Å; L371-L386 WeakPolarHBondContact O-CA 3.36Å; K372-L386 HydrophobicContact CB-CD1 3.87Å; K372-L386 HydrophobicContact CG-CD1 4.49Å; Y384-L386 HydrophobicContact CD2-CB 4.21Å; Y384-L386 HydrophobicContact CE2-CB 4.14Å; L386-L406 CarbonylContact O-C 3.56Å; L386-L406 WeakPolarHBondContact O-CA 3.36Å; L386-T407 PolarHBondContact N-O 3.24Å; L386-T407 PolarHBondContact O-N 3.2Å
387	Y	98.4	Very high	98.1	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	119.2	176.8	-62.4	-92	0	0	0	109.4	V370 L371 I373 H389 L403 G405 L406 S414	V370-Y387 VanDerWaalsContact CA-O 3.26Å; V370-Y387 WeakPolarHBondContact CA-O 3.14Å; V370-Y387 WeakPolarHBondContact CB-O 3.06Å; L371-Y387 HydrophobicContact CD2-CD2 4.27Å; L371-Y387 HydrophobicContact CG-CD2 4.37Å; L371-Y387 PolarHBondContact N-O 2.84Å; L371-Y387 VanDerWaalsContact N-O 3.08Å; L371-Y387 PolarHBondContact O-N 3.49Å; I373-Y387 HydrophobicContact CD1-CE2 4.02Å; Y387-H389 PolarHBondContact O-N 3.17Å; Y387-H389 VanDerWaalsContact O-N 3.16Å; Y387-L403 HydrophobicContact CD1-CB 3.89Å; Y387-L403 HydrophobicContact CD1-CD1 4.25Å; Y387-L403 HydrophobicContact CD1-CD2 3.91Å; Y387-L403 HydrophobicContact CD1-CG 4.23Å; Y387-L403 HydrophobicContact CD2-CD2 4.11Å; Y387-L403 HydrophobicContact CE1-CB 4.18Å; Y387-L403 HydrophobicContact CE1-CD1 3.89Å; Y387-L403 HydrophobicContact CE1-CD2 4.34Å; Y387-L403 HydrophobicContact CE1-CG 4.36Å; Y387-L403 HydrophobicContact CG-CD2 3.76Å; Y387-G405 WeakPolarHBondContact CA-O 3.45Å; Y387-L406 HydrophobicContact CD1-CB 4.23Å; Y387-L406 HydrophobicContact CD1-CD1 4.26Å; Y387-L406 HydrophobicContact CE1-CB 4.09Å; Y387-L406 HydrophobicContact CE1-CD1 3.8Å; Y387-L406 HydrophobicContact CE1-CG 4.43Å; Y387-L406 HydrophobicContact CE2-CD1 4.23Å; Y387-S414 PolarHBondContact OH-OG 2.92Å
388	E	97.9	Very high	98.1	Very high	80 Å²	80	53.3 Å²	53.3	37%	0.374	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	-23.8	-179.8	-76.2	-63	140.4	0	0	114.5	R368 K404 G405	R368-E388 PolarHBondContact NE-O 3.35Å; R368-E388 PolarHBondContact NH2-O 2.88Å; R368-E388 IonicContact NH2-OE2 3.18Å; R368-E388 PolarHBondContact NH2-OE2 3.04Å; E388-K404 PolarHBondContact N-O 3.38Å; E388-G405 WeakPolarHBondContact CG-O 3.49Å; E388-G405 PolarHBondContact N-O 2.82Å
389	H	98.3	Very high	98.2	Very high	50 Å²	50	51.8 Å²	51.8	23%	0.231	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	123.3	172	-164.1	164.5	0	0	0	109	R368 Y369 Y387 Y391 L403 K404	R368-H389 HydrophobicContact CG-CB 4.46Å; Y369-H389 WeakPolarHBondContact O-CA 3.5Å; Y387-H389 PolarHBondContact O-N 3.17Å; Y387-H389 VanDerWaalsContact O-N 3.16Å; H389-Y391 AromaticContact CD2-CD1 3.84Å; H389-Y391 AromaticContact NE2-CD1 3.57Å; H389-L403 WeakPolarHBondContact O-CA 3.14Å; H389-K404 HydrophobicContact CB-CB 4.22Å; H389-K404 PolarHBondContact N-O 3.36Å; H389-K404 PolarHBondContact O-N 2.9Å
390	F	98.5	Very high	98.3	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	135.9	169.8	161.4	-104	0	0	0	110.6	I325 V360 T364 Y369 L371 L392 I401 H402 L403 I491	I325-F390 HydrophobicContact CD1-CE1 4.14Å; I325-F390 HydrophobicContact CD1-CZ 4.14Å; V360-F390 HydrophobicContact CG1-CE1 3.82Å; V360-F390 HydrophobicContact CG1-CZ 3.92Å; T364-F390 HydrophobicContact CG2-CD1 3.94Å; T364-F390 HydrophobicContact CG2-CE1 3.82Å; Y369-F390 PolarHBondContact O-N 2.98Å; L371-F390 HydrophobicContact CB-CB 3.39Å; L371-F390 HydrophobicContact CB-CD1 3.91Å; L371-F390 HydrophobicContact CB-CD2 4.29Å; L371-F390 HydrophobicContact CB-CG 3.61Å; L371-F390 HydrophobicContact CD2-CB 4.3Å; L371-F390 HydrophobicContact CD2-CD1 4.43Å; L371-F390 HydrophobicContact CD2-CD2 3.68Å; L371-F390 HydrophobicContact CD2-CE2 4.01Å; L371-F390 HydrophobicContact CD2-CG 3.88Å; L371-F390 HydrophobicContact CG-CB 4.47Å; L371-F390 HydrophobicContact CG-CG 4.28Å; F390-L392 HydrophobicContact CE2-CD2 3.52Å; F390-L392 HydrophobicContact CE2-CG 4.17Å; F390-L392 HydrophobicContact CZ-CD1 4.46Å; F390-L392 HydrophobicContact CZ-CD2 3.67Å; F390-L392 HydrophobicContact CZ-CG 3.84Å; F390-I401 HydrophobicContact CD2-CD1 4.04Å; F390-I401 HydrophobicContact CD2-CG1 4Å; F390-I401 HydrophobicContact CE2-CD1 3.65Å; F390-I401 HydrophobicContact CE2-CG1 3.79Å; F390-H402 WeakPolarHBondContact CA-O 3.29Å; F390-L403 HydrophobicContact CB-CD2 4.09Å; F390-L403 HydrophobicContact CD2-CD2 3.75Å; F390-L403 HydrophobicContact CG-CD2 4.37Å; F390-I491 HydrophobicContact CD1-CG2 3.69Å; F390-I491 HydrophobicContact CE1-CG2 3.73Å
391	Y	98.6	Very high	98.4	Very high	59 Å²	59	47.6 Å²	47.6	23%	0.231	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	160.5	162.2	65.6	-82.9	0	0	0	110.7	T364 H389 H402	T364-Y391 WeakPolarHBondContact O-CB 3.22Å; T364-Y391 WeakPolarHBondContact OG1-CA 3.37Å; H389-Y391 AromaticContact CD2-CD1 3.84Å; H389-Y391 AromaticContact NE2-CD1 3.57Å; Y391-H402 HydrophobicContact CD1-CB 3.77Å; Y391-H402 HydrophobicContact CD2-CB 4.27Å; Y391-H402 AromaticContact CD2-CD2 3.69Å; Y391-H402 HydrophobicContact CE1-CB 3.4Å; Y391-H402 AromaticContact CE1-CG 3.85Å; Y391-H402 HydrophobicContact CE2-CB 3.94Å; Y391-H402 AromaticContact CE2-CD2 3.17Å; Y391-H402 WeakPolarHBondContact CE2-CD2 3.38Å; Y391-H402 AromaticContact CE2-CG 3.54Å; Y391-H402 AromaticContact CE2-NE2 3.75Å; Y391-H402 HydrophobicContact CG-CB 4.18Å; Y391-H402 VanDerWaalsContact CZ-CB 3.48Å; Y391-H402 AromaticContact CZ-CD2 3.52Å; Y391-H402 AromaticContact CZ-CG 3.33Å; Y391-H402 AromaticContact CZ-ND1 3.9Å; Y391-H402 PolarHBondContact N-O 2.6Å; Y391-H402 PolarHBondContact O-N 3.3Å; Y391-H402 PolarHBondContact OH-ND1 3.35Å
392	L	98.7	Very high	98.4	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	151.6	169.5	-55.3	-175.5	0	0	0	110.2	V360 S361 T364 N365 F390 I401 W446	V360-L392 HydrophobicContact CB-CD1 4.11Å; V360-L392 HydrophobicContact CG1-CD1 3.74Å; V360-L392 HydrophobicContact CG1-CG 4.12Å; S361-L392 PolarHBondContact OG-O 2.84Å; T364-L392 PolarHBondContact OG1-N 2.9Å; N365-L392 PolarHBondContact ND2-O 3.17Å; F390-L392 HydrophobicContact CE2-CD2 3.52Å; F390-L392 HydrophobicContact CE2-CG 4.17Å; F390-L392 HydrophobicContact CZ-CD1 4.46Å; F390-L392 HydrophobicContact CZ-CD2 3.67Å; F390-L392 HydrophobicContact CZ-CG 3.84Å; L392-I401 HydrophobicContact CD2-CB 3.99Å; L392-I401 HydrophobicContact CD2-CD1 4.43Å; L392-I401 HydrophobicContact CD2-CG1 3.97Å; L392-W446 HydrophobicContact CD1-CZ2 3.98Å; L392-W446 HydrophobicContact CD2-CH2 4.28Å; L392-W446 HydrophobicContact CD2-CZ2 3.4Å; L392-W446 VanDerWaalsContact CD2-CZ2 3.4Å; L392-W446 HydrophobicContact CG-CZ2 4.36Å
393	S	98.6	Very high	98.4	Very high	8 Å²	8	41.8 Å²	41.8	6%	0.056	20%	0.198	C	C	.	.			trans	-75.9	172.1	168.7	-45.9	0	0	0	0	110.6	S361 Y399 R400 H402	S361-S393 VanDerWaalsContact OG-C 3.29Å; S361-S393 PolarHBondContact OG-O 2.95Å; S393-Y399 WeakPolarHBondContact O-CA 3.45Å; S393-R400 PolarHBondContact N-O 2.88Å; S393-R400 PolarHBondContact OG-O 3.04Å; S393-H402 PolarHBondContact OG-CD2 2.9Å; S393-H402 PolarHBondContact OG-NE2 3.2Å
394	S	98	Very high	98.4	Very high	46 Å²	46	48.1 Å²	48.1	32%	0.322	23%	0.225	S	C	.	.			trans	-70.9	177.3	174	65.5	0	0	0	0	112.5	E396 L397 N398 Y399	S394-E396 VanDerWaalsContact C-N 3.31Å; S394-E396 WeakPolarHBondContact CB-OE2 3.35Å; S394-E396 PolarHBondContact O-N 3.05Å; S394-E396 PolarHBondContact OG-OE2 3.42Å; S394-L397 CarbonylContact O-C 3.59Å; S394-L397 PolarHBondContact O-N 3.46Å; S394-L397 VanDerWaalsContact O-N 3.13Å; S394-N398 PolarHBondContact O-N 3.28Å; S394-Y399 PolarHBondContact O-N 3.24Å
395	E	98.3	Very high	98.3	Very high	62 Å²	62	45.9 Å²	45.9	29%	0.29	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-63.4	-35.6	179.4	-173.8	160.5	-134.2	0	0	112.5	W339 K343 L397 N398 Y399	W339-E395 HydrophobicContact CZ2-CG 4.3Å; W339-E395 PolarHBondContact NE1-OE1 3.16Å; K343-E395 WeakPolarHBondContact CD-OE1 3.29Å; K343-E395 IonicContact NZ-OE1 3.57Å; K343-E395 IonicContact NZ-OE2 2.76Å; K343-E395 PolarHBondContact NZ-OE2 2.87Å; E395-L397 PolarHBondContact O-N 3.02Å; E395-L397 VanDerWaalsContact O-N 3.12Å; E395-N398 WeakPolarHBondContact O-CA 3.29Å; E395-N398 PolarHBondContact O-N 3.41Å; E395-Y399 HydrophobicContact CB-CE1 4.14Å; E395-Y399 HydrophobicContact CB-CE2 4.15Å; E395-Y399 HydrophobicContact CG-CE2 4Å
396	E	98.1	Very high	98.3	Very high	154 Å²	154	48 Å²	48	72%	0.72	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-66.2	-14.1	177.1	-50.5	78.7	-173.1	0	0	112.8	S394	S394-E396 VanDerWaalsContact C-N 3.31Å; S394-E396 WeakPolarHBondContact CB-OE2 3.35Å; S394-E396 PolarHBondContact O-N 3.05Å; S394-E396 PolarHBondContact OG-OE2 3.42Å
397	L	98.3	Very high	98.2	Very high	87 Å²	87	49.3 Å²	49.3	46%	0.455	25%	0.25	S	C	.	.	G	3₁₀ helix	trans	-115.3	29.4	172.2	-65	177.3	0	0	0	111.1	S394 E395 Y399 R400	S394-L397 CarbonylContact O-C 3.59Å; S394-L397 PolarHBondContact O-N 3.46Å; S394-L397 VanDerWaalsContact O-N 3.13Å; E395-L397 PolarHBondContact O-N 3.02Å; E395-L397 VanDerWaalsContact O-N 3.12Å; L397-Y399 PolarHBondContact O-N 2.81Å; L397-R400 VanDerWaalsContact O-CB 3.29Å; L397-R400 WeakPolarHBondContact O-CB 3.36Å; L397-R400 PolarHBondContact O-N 3.47Å
398	N	98.4	Very high	98.2	Very high	45 Å²	45	51 Å²	51	24%	0.241	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.3	33.3	173.4	-61.5	-42.8	0	0	0	114.4	W339 S394 E395 R400 D422 F423	W339-N398 HydrophobicContact CH2-CB 4.06Å; S394-N398 PolarHBondContact O-N 3.28Å; E395-N398 WeakPolarHBondContact O-CA 3.29Å; E395-N398 PolarHBondContact O-N 3.41Å; N398-R400 PolarHBondContact O-N 3.28Å; N398-R400 VanDerWaalsContact O-N 3.12Å; N398-D422 HydrophobicContact CB-CB 3.68Å; N398-D422 WeakPolarHBondContact CB-OD2 3.5Å; N398-D422 PolarHBondContact ND2-OD2 3.39Å; N398-F423 VanDerWaalsContact O-CB 3.28Å; N398-F423 WeakPolarHBondContact O-CB 3.39Å; N398-F423 PolarHBondContact O-N 3.48Å
399	Y	98.8	Very high	98.2	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.3	31.4	-174.1	-53.4	-71.2	0	0	0	114.3	W339 K343 N357 E358 S393 S394 E395 L397 I401 W446	W339-Y399 AromaticContact CE2-CE2 3.99Å; W339-Y399 AromaticContact CH2-CD2 3.72Å; W339-Y399 HydrophobicContact CH2-CD2 3.72Å; W339-Y399 HydrophobicContact CH2-CE2 4.22Å; W339-Y399 AromaticContact CZ2-CD2 3.52Å; W339-Y399 HydrophobicContact CZ2-CD2 3.52Å; W339-Y399 AromaticContact CZ2-CE2 3.54Å; W339-Y399 HydrophobicContact CZ2-CE2 3.54Å; K343-Y399 WeakPolarHBondContact CD-OH 3.37Å; K343-Y399 VanDerWaalsContact CG-OH 3.3Å; K343-Y399 WeakPolarHBondContact CG-OH 3.19Å; K343-Y399 PolarHBondContact NZ-OH 2.88Å; N357-Y399 HydrophobicContact CB-CD1 3.69Å; N357-Y399 HydrophobicContact CB-CD2 3.7Å; N357-Y399 HydrophobicContact CB-CE1 3.86Å; N357-Y399 HydrophobicContact CB-CE2 3.87Å; N357-Y399 HydrophobicContact CB-CG 3.6Å; E358-Y399 PolarHBondContact OE2-OH 2.94Å; S393-Y399 WeakPolarHBondContact O-CA 3.45Å; S394-Y399 PolarHBondContact O-N 3.24Å; E395-Y399 HydrophobicContact CB-CE1 4.14Å; E395-Y399 HydrophobicContact CB-CE2 4.15Å; E395-Y399 HydrophobicContact CG-CE2 4Å; L397-Y399 PolarHBondContact O-N 2.81Å; Y399-I401 PolarHBondContact O-N 2.91Å; Y399-W446 PolarHBondContact O-NE1 2.88Å
400	R	98.8	Very high	98.1	Very high	85 Å²	85	48.9 Å²	48.9	32%	0.321	26%	0.264	S	S	.	.			trans	-50.6	126.4	-178.9	173.6	-176.9	-59.2	142	12.8	111.3	S393 L397 N398 H402 N421 D422	S393-R400 PolarHBondContact N-O 2.88Å; S393-R400 PolarHBondContact OG-O 3.04Å; L397-R400 VanDerWaalsContact O-CB 3.29Å; L397-R400 WeakPolarHBondContact O-CB 3.36Å; L397-R400 PolarHBondContact O-N 3.47Å; N398-R400 PolarHBondContact O-N 3.28Å; N398-R400 VanDerWaalsContact O-N 3.12Å; R400-H402 PolarHBondContact O-CD2 2.82Å; R400-H402 VanDerWaalsContact O-CD2 3.28Å; R400-N421 WeakPolarHBondContact CA-O 3.27Å; R400-D422 IonicContact CZ-OD1 3.17Å; R400-D422 IonicContact NE-OD1 3.83Å; R400-D422 PolarHBondContact NE-OD1 2.91Å; R400-D422 VanDerWaalsContact NH2-CG 3.31Å; R400-D422 IonicContact NH2-OD1 3.13Å; R400-D422 PolarHBondContact NH2-OD1 3.35Å; R400-D422 IonicContact NH2-OD2 2.71Å; R400-D422 PolarHBondContact NH2-OD2 3.43Å; R400-D422 VanDerWaalsContact NH2-OD2 3.08Å
401	I	98.7	Very high	97.9	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	142	-177	-170.4	163.7	0	0	0	112.1	F390 L392 Y399 L403 I416 G420 N421 W446	F390-I401 HydrophobicContact CD2-CD1 4.04Å; F390-I401 HydrophobicContact CD2-CG1 4Å; F390-I401 HydrophobicContact CE2-CD1 3.65Å; F390-I401 HydrophobicContact CE2-CG1 3.79Å; L392-I401 HydrophobicContact CD2-CB 3.99Å; L392-I401 HydrophobicContact CD2-CD1 4.43Å; L392-I401 HydrophobicContact CD2-CG1 3.97Å; Y399-I401 PolarHBondContact O-N 2.91Å; I401-L403 HydrophobicContact CD1-CD1 4.04Å; I401-L403 HydrophobicContact CD1-CD2 4.19Å; I401-L403 HydrophobicContact CD1-CG 4.1Å; I401-L403 HydrophobicContact CG1-CD1 4.34Å; I401-L403 HydrophobicContact CG1-CD2 4.33Å; I401-L403 HydrophobicContact CG1-CG 4Å; I401-I416 HydrophobicContact CD1-CD1 4.26Å; I401-I416 HydrophobicContact CD1-CG2 4.41Å; I401-I416 HydrophobicContact CG2-CG2 4.19Å; I401-G420 WeakPolarHBondContact O-CA 3.27Å; I401-N421 PolarHBondContact N-O 2.87Å; I401-N421 VanDerWaalsContact N-O 3.14Å; I401-W446 HydrophobicContact CB-CB 4.49Å; I401-W446 HydrophobicContact CB-CD2 3.81Å; I401-W446 HydrophobicContact CB-CG 3.73Å; I401-W446 HydrophobicContact CD1-CD2 3.81Å; I401-W446 HydrophobicContact CD1-CE3 3.7Å; I401-W446 HydrophobicContact CD1-CG 4.48Å; I401-W446 HydrophobicContact CD1-CH2 4.11Å; I401-W446 HydrophobicContact CD1-CZ2 4.22Å; I401-W446 HydrophobicContact CD1-CZ3 3.86Å; I401-W446 HydrophobicContact CG1-CD2 4.39Å; I401-W446 HydrophobicContact CG2-CB 3.68Å; I401-W446 HydrophobicContact CG2-CD2 3.94Å; I401-W446 HydrophobicContact CG2-CG 3.46Å; I401-W446 VanDerWaalsContact CG2-CG 3.46Å
402	H	98.6	Very high	97.7	Very high	52 Å²	52	56.9 Å²	56.9	24%	0.241	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	132.6	171.1	-60.4	-90.4	0	0	0	109.7	F390 Y391 S393 R400	F390-H402 WeakPolarHBondContact CA-O 3.29Å; Y391-H402 HydrophobicContact CD1-CB 3.77Å; Y391-H402 HydrophobicContact CD2-CB 4.27Å; Y391-H402 AromaticContact CD2-CD2 3.69Å; Y391-H402 HydrophobicContact CE1-CB 3.4Å; Y391-H402 AromaticContact CE1-CG 3.85Å; Y391-H402 HydrophobicContact CE2-CB 3.94Å; Y391-H402 AromaticContact CE2-CD2 3.17Å; Y391-H402 WeakPolarHBondContact CE2-CD2 3.38Å; Y391-H402 AromaticContact CE2-CG 3.54Å; Y391-H402 AromaticContact CE2-NE2 3.75Å; Y391-H402 HydrophobicContact CG-CB 4.18Å; Y391-H402 VanDerWaalsContact CZ-CB 3.48Å; Y391-H402 AromaticContact CZ-CD2 3.52Å; Y391-H402 AromaticContact CZ-CG 3.33Å; Y391-H402 AromaticContact CZ-ND1 3.9Å; Y391-H402 PolarHBondContact N-O 2.6Å; Y391-H402 PolarHBondContact O-N 3.3Å; Y391-H402 PolarHBondContact OH-ND1 3.35Å; S393-H402 PolarHBondContact OG-CD2 2.9Å; S393-H402 PolarHBondContact OG-NE2 3.2Å; R400-H402 PolarHBondContact O-CD2 2.82Å; R400-H402 VanDerWaalsContact O-CD2 3.28Å
403	L	98.2	Very high	97.6	Very high	19 Å²	19	61.6 Å²	61.6	10%	0.099	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	133.4	-176.4	-66.7	171.3	0	0	0	110.2	L371 Y387 H389 F390 I401 I416	L371-L403 HydrophobicContact CD2-CD2 3.96Å; Y387-L403 HydrophobicContact CD1-CB 3.89Å; Y387-L403 HydrophobicContact CD1-CD1 4.25Å; Y387-L403 HydrophobicContact CD1-CD2 3.91Å; Y387-L403 HydrophobicContact CD1-CG 4.23Å; Y387-L403 HydrophobicContact CD2-CD2 4.11Å; Y387-L403 HydrophobicContact CE1-CB 4.18Å; Y387-L403 HydrophobicContact CE1-CD1 3.89Å; Y387-L403 HydrophobicContact CE1-CD2 4.34Å; Y387-L403 HydrophobicContact CE1-CG 4.36Å; Y387-L403 HydrophobicContact CG-CD2 3.76Å; H389-L403 WeakPolarHBondContact O-CA 3.14Å; F390-L403 HydrophobicContact CB-CD2 4.09Å; F390-L403 HydrophobicContact CD2-CD2 3.75Å; F390-L403 HydrophobicContact CG-CD2 4.37Å; I401-L403 HydrophobicContact CD1-CD1 4.04Å; I401-L403 HydrophobicContact CD1-CD2 4.19Å; I401-L403 HydrophobicContact CD1-CG 4.1Å; I401-L403 HydrophobicContact CG1-CD1 4.34Å; I401-L403 HydrophobicContact CG1-CD2 4.33Å; I401-L403 HydrophobicContact CG1-CG 4Å; L403-I416 HydrophobicContact CD1-CB 3.78Å; L403-I416 HydrophobicContact CD1-CD1 3.86Å; L403-I416 HydrophobicContact CD1-CG1 4.42Å; L403-I416 HydrophobicContact CD1-CG2 3.72Å
404	K	97.7	Very high	97.5	Very high	135 Å²	135	61.7 Å²	61.7	59%	0.587	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.2	152.3	172.1	-61.5	179	-179.5	171	0	110.9	E388 H389	E388-K404 PolarHBondContact N-O 3.38Å; H389-K404 HydrophobicContact CB-CB 4.22Å; H389-K404 PolarHBondContact N-O 3.36Å; H389-K404 PolarHBondContact O-N 2.9Å
405	G	96.6	Very high	97.4	Very high	43 Å²	43	59.5 Å²	59.5	44%	0.443	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	59.4	75	176	0	0	0	0	0	113.9	Y387 E388	Y387-G405 WeakPolarHBondContact CA-O 3.45Å; E388-G405 WeakPolarHBondContact CG-O 3.49Å; E388-G405 PolarHBondContact N-O 2.82Å
406	L	98.2	Very high	97.4	Very high	44 Å²	44	56.6 Å²	56.6	23%	0.23	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	130.8	173	172.5	66.3	0	0	0	111	L386 Y387	L386-L406 CarbonylContact O-C 3.56Å; L386-L406 WeakPolarHBondContact O-CA 3.36Å; Y387-L406 HydrophobicContact CD1-CB 4.23Å; Y387-L406 HydrophobicContact CD1-CD1 4.26Å; Y387-L406 HydrophobicContact CE1-CB 4.09Å; Y387-L406 HydrophobicContact CE1-CD1 3.8Å; Y387-L406 HydrophobicContact CE1-CG 4.43Å; Y387-L406 HydrophobicContact CE2-CD1 4.23Å
407	T	97.6	Very high	97.3	Very high	65 Å²	65	50.1 Å²	50.1	40%	0.399	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	176.2	165.6	65.5	0	0	0	0	110.6	S385 L386	S385-T407 WeakPolarHBondContact CA-O 3.47Å; L386-T407 PolarHBondContact N-O 3.24Å; L386-T407 PolarHBondContact O-N 3.2Å
408	G	96.9	Very high	97	Very high	35 Å²	35	51 Å²	51	36%	0.361	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	114.2	-165.5	176.2	0	0	0	0	0	114.7	Y384	Y384-G408 VanDerWaalsContact CE2-CA 3.44Å; Y384-G408 CarbonylContact O-C 3.53Å; Y384-G408 WeakPolarHBondContact O-CA 3.42Å
409	T	97.8	Very high	96.8	Very high	87 Å²	87	54 Å²	54	53%	0.534	30%	0.295	S	S	.	.	S	Bend	trans	-106.6	-20.9	-173.3	54.7	0	0	0	0	114.2	A383 Y384 G411	A383-T409 WeakPolarHBondContact CA-OG1 3.4Å; A383-T409 WeakPolarHBondContact CB-OG1 3.34Å; Y384-T409 HydrophobicContact CE1-CG2 4.21Å; Y384-T409 PolarHBondContact N-OG1 3.41Å; Y384-T409 VanDerWaalsContact N-OG1 3.08Å; Y384-T409 PolarHBondContact O-N 2.91Å; T409-G411 PolarHBondContact O-N 3.45Å
410	A	97	Very high	96.6	Very high	0 Å²	0	55 Å²	55	0%	0	31%	0.305	C	S	.	.	S	Bend	trans	-81.2	42.5	-177.5	0	0	0	0	0	113.8	L375 A383 Y384 W474 W477	L375-A410 HydrophobicContact CD1-CB 3.83Å; A383-A410 HydrophobicContact CB-CB 3.87Å; Y384-A410 WeakPolarHBondContact O-CB 3.17Å; Y384-A410 PolarHBondContact O-N 2.84Å; A410-W474 PolarHBondContact O-NE1 2.89Å; A410-W477 HydrophobicContact CB-CB 4.17Å; A410-W477 HydrophobicContact CB-CG 4.35Å
411	G	94.3	Very high	96.5	Very high	16 Å²	16	51.1 Å²	51.1	17%	0.165	29%	0.291	C	S	.	.			trans	109.2	149.4	177.5	0	0	0	0	0	114.6	T409 Y476	T409-G411 PolarHBondContact O-N 3.45Å; G411-Y476 WeakPolarHBondContact CA-O 3.47Å
412	K	94.3	Very high	96.5	Very high	211 Å²	211	52.1 Å²	52.1	92%	0.917	30%	0.297	S	S	*	.	S	Bend	trans	-86.6	-6.4	175.7	-63.2	-172.7	179	-176.6	0	113.8
413	I	96.2	Very high	96.5	Very high	99 Å²	99	49.7 Å²	49.7	51%	0.508	29%	0.285	S	S	.	.	S	Bend	trans	-125.7	143.6	179.7	-56.5	175.2	0	0	0	106.7	S415 Y476	I413-S415 PolarHBondContact O-N 2.91Å; I413-Y476 HydrophobicContact CB-CD1 4.1Å; I413-Y476 HydrophobicContact CB-CD2 3.97Å; I413-Y476 HydrophobicContact CB-CE1 3.99Å; I413-Y476 HydrophobicContact CB-CE2 3.86Å; I413-Y476 HydrophobicContact CB-CG 4.1Å; I413-Y476 HydrophobicContact CD1-CE1 4.04Å; I413-Y476 HydrophobicContact CG2-CD2 4.16Å; I413-Y476 HydrophobicContact CG2-CE1 4.2Å; I413-Y476 HydrophobicContact CG2-CE2 3.57Å; I413-Y476 WeakPolarHBondContact O-CD2 3.45Å
414	S	96.8	Very high	96.6	Very high	11 Å²	11	48.8 Å²	48.8	8%	0.077	28%	0.28	C	S	.	.			trans	-67.6	123.7	-179.3	-179.1	0	0	0	0	110.6	Y387 I416 Y476	Y387-S414 PolarHBondContact OH-OG 2.92Å; S414-I416 VanDerWaalsContact CB-O 3.3Å; S414-I416 WeakPolarHBondContact CB-O 3.41Å; S414-I416 PolarHBondContact O-N 3.48Å; S414-I416 PolarHBondContact OG-N 2.92Å; S414-I416 PolarHBondContact OG-O 3.26Å; S414-Y476 WeakPolarHBondContact O-CE2 3.34Å
415	S	97.2	Very high	96.6	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	25%	0.253	C	S	.	.	S	Bend	trans	-74.1	-11.7	172	-57.4	0	0	0	0	112.6	I413 P452 S453 W474 Y476	I413-S415 PolarHBondContact O-N 2.91Å; S415-P452 CarbonylContact O-C 3.41Å; S415-P452 VanDerWaalsContact O-C 3.23Å; S415-P452 WeakPolarHBondContact O-CB 3.48Å; S415-P452 WeakPolarHBondContact O-CD 3.38Å; S415-P452 WeakPolarHBondContact O-CG 3.45Å; S415-S453 WeakPolarHBondContact O-CB 3.49Å; S415-S453 PolarHBondContact O-N 2.96Å; S415-S453 PolarHBondContact O-OG 3.06Å; S415-W474 VanDerWaalsContact OG-CD1 3.31Å; S415-W474 VanDerWaalsContact OG-CE2 3.25Å; S415-W474 PolarHBondContact OG-NE1 3.24Å; S415-W474 VanDerWaalsContact OG-NE1 3.15Å; S415-Y476 WeakPolarHBondContact OG-CD2 3.23Å; S415-Y476 PolarHBondContact OG-N 2.86Å
416	I	97.4	Very high	96.7	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.005	25%	0.247	C	C	.	.	S	Bend	trans	-90.3	128.4	164.9	-60.9	166.4	0	0	0	107.1	I373 I401 L403 S414 W445 S453 W474	I373-I416 HydrophobicContact CD1-CD1 4.02Å; I401-I416 HydrophobicContact CD1-CD1 4.26Å; I401-I416 HydrophobicContact CD1-CG2 4.41Å; I401-I416 HydrophobicContact CG2-CG2 4.19Å; L403-I416 HydrophobicContact CD1-CB 3.78Å; L403-I416 HydrophobicContact CD1-CD1 3.86Å; L403-I416 HydrophobicContact CD1-CG1 4.42Å; L403-I416 HydrophobicContact CD1-CG2 3.72Å; S414-I416 VanDerWaalsContact CB-O 3.3Å; S414-I416 WeakPolarHBondContact CB-O 3.41Å; S414-I416 PolarHBondContact O-N 3.48Å; S414-I416 PolarHBondContact OG-N 2.92Å; S414-I416 PolarHBondContact OG-O 3.26Å; I416-W445 HydrophobicContact CD1-CZ2 4.12Å; I416-W445 HydrophobicContact CG1-CZ2 4.01Å; I416-S453 WeakPolarHBondContact CG1-OG 3.3Å; I416-W474 HydrophobicContact CD1-CH2 4.08Å; I416-W474 HydrophobicContact CD1-CZ3 4.16Å; I416-W474 HydrophobicContact CG1-CH2 3.95Å; I416-W474 HydrophobicContact CG1-CZ3 3.87Å
417	S	95	Very high	96.7	Very high	17 Å²	17	46 Å²	46	12%	0.119	26%	0.259	C	S	.	.			trans	-57.8	144.9	-176.7	-71.8	0	0	0	0	112.4	G420 D448	S417-G420 WeakPolarHBondContact O-CA 3.44Å; S417-D448 VanDerWaalsContact CB-OD2 3.28Å; S417-D448 WeakPolarHBondContact CB-OD2 3.29Å; S417-D448 WeakPolarHBondContact OG-CB 3.46Å; S417-D448 VanDerWaalsContact OG-CG 3.23Å; S417-D448 PolarHBondContact OG-OD2 3.15Å
418	Q	92.2	Very high	96.7	Very high	105 Å²	105	43.9 Å²	43.9	49%	0.491	25%	0.248	S	C	.	.	S	Bend	trans	-130.4	129	177.7	-68.2	-173.4	-11	0	0	108.9
419	P	93.8	Very high	96.8	Very high	109 Å²	109	45.7 Å²	45.7	71%	0.708	25%	0.25	S	C	*	.	S	Bend	cis	-61.3	149.5	-1.3	29.1	-36.8	0	0	0	112.6
420	G	94.8	Very high	96.8	Very high	20 Å²	20	43.9 Å²	43.9	21%	0.206	24%	0.236	C	C	.	.			trans	-67.6	149.8	-173	0	0	0	0	0	113.2	I401 S417	I401-G420 WeakPolarHBondContact O-CA 3.27Å; S417-G420 WeakPolarHBondContact O-CA 3.44Å
421	N	98.3	Very high	96.8	Very high	4 Å²	4	44.9 Å²	44.9	2%	0.021	24%	0.242	C	C	.	.			trans	-104.3	166.8	-174.7	-68.5	-26.8	0	0	0	112.6	R400 I401 K432 W446 F447 D448	R400-N421 WeakPolarHBondContact CA-O 3.27Å; I401-N421 PolarHBondContact N-O 2.87Å; I401-N421 VanDerWaalsContact N-O 3.14Å; N421-K432 WeakPolarHBondContact OD1-CE 3.37Å; N421-K432 PolarHBondContact OD1-NZ 3.45Å; N421-W446 VanDerWaalsContact O-CD1 3.23Å; N421-F447 WeakPolarHBondContact CB-O 3.28Å; N421-F447 PolarHBondContact ND2-O 3.13Å; N421-D448 WeakPolarHBondContact ND2-CA 3.37Å; N421-D448 WeakPolarHBondContact ND2-CB 3.43Å; N421-D448 PolarHBondContact ND2-OD1 2.83Å
422	D	98.6	Very high	96.8	Very high	22 Å²	22	50.2 Å²	50.2	12%	0.118	26%	0.261	C	S	.	.			trans	-66.8	149.8	171.8	-64.3	38.5	0	0	0	109.6	N398 R400 N430	N398-D422 HydrophobicContact CB-CB 3.68Å; N398-D422 WeakPolarHBondContact CB-OD2 3.5Å; N398-D422 PolarHBondContact ND2-OD2 3.39Å; R400-D422 IonicContact CZ-OD1 3.17Å; R400-D422 IonicContact NE-OD1 3.83Å; R400-D422 PolarHBondContact NE-OD1 2.91Å; R400-D422 VanDerWaalsContact NH2-CG 3.31Å; R400-D422 IonicContact NH2-OD1 3.13Å; R400-D422 PolarHBondContact NH2-OD1 3.35Å; R400-D422 IonicContact NH2-OD2 2.71Å; R400-D422 PolarHBondContact NH2-OD2 3.43Å; R400-D422 VanDerWaalsContact NH2-OD2 3.08Å; D422-N430 HydrophobicContact CB-CB 3.7Å
423	F	98.8	Very high	96.9	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.23	C	C	.	.			trans	-73.9	143.5	173.7	-160.9	-103.4	0	0	0	109.6	W339 Y342 W354 N357 N398 T425 N430 G444 W446	W339-F423 HydrophobicContact CE3-CD1 4.41Å; W339-F423 HydrophobicContact CH2-CB 4.32Å; W339-F423 HydrophobicContact CZ3-CB 4.11Å; W339-F423 AromaticContact CZ3-CD1 3.97Å; W339-F423 HydrophobicContact CZ3-CD1 3.97Å; W339-F423 WeakPolarHBondContact CZ3-O 3.33Å; Y342-F423 AromaticContact CD1-CE1 3.65Å; Y342-F423 HydrophobicContact CD1-CE1 3.65Å; Y342-F423 AromaticContact CD1-CZ 3.4Å; Y342-F423 HydrophobicContact CD1-CZ 3.4Å; Y342-F423 HydrophobicContact CD2-CE1 4.22Å; Y342-F423 HydrophobicContact CE1-CE1 4.37Å; Y342-F423 AromaticContact CE1-CZ 3.82Å; Y342-F423 HydrophobicContact CE1-CZ 3.82Å; Y342-F423 AromaticContact CG-CE1 3.56Å; Y342-F423 HydrophobicContact CG-CE1 3.56Å; Y342-F423 AromaticContact CG-CZ 3.85Å; Y342-F423 HydrophobicContact CG-CZ 3.85Å; W354-F423 HydrophobicContact CH2-CE2 4.41Å; W354-F423 HydrophobicContact CZ2-CE2 4.17Å; W354-F423 HydrophobicContact CZ2-CZ 4.28Å; N357-F423 WeakPolarHBondContact ND2-CD1 3.41Å; N398-F423 VanDerWaalsContact O-CB 3.28Å; N398-F423 WeakPolarHBondContact O-CB 3.39Å; N398-F423 PolarHBondContact O-N 3.48Å; F423-T425 HydrophobicContact CD1-CG2 3.93Å; F423-T425 HydrophobicContact CE1-CG2 3.58Å; F423-N430 WeakPolarHBondContact O-CB 3.31Å; F423-N430 PolarHBondContact O-ND2 2.86Å; F423-G444 WeakPolarHBondContact CZ-O 3.42Å; F423-W446 AromaticContact CD2-CD1 3.81Å; F423-W446 AromaticContact CD2-CD2 3.87Å; F423-W446 HydrophobicContact CD2-CD2 3.87Å; F423-W446 AromaticContact CD2-CE2 3.55Å; F423-W446 HydrophobicContact CD2-CG 4.04Å; F423-W446 AromaticContact CD2-CZ2 4Å; F423-W446 HydrophobicContact CD2-CZ2 4Å; F423-W446 AromaticContact CD2-NE1 3.53Å; F423-W446 HydrophobicContact CE2-CD2 4.35Å; F423-W446 HydrophobicContact CE2-CZ2 4.19Å
424	S	98.7	Very high	96.8	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-135.5	144	175.3	-58.9	0	0	0	0	111.2	A428 N430 D431 G444 W445	S424-A428 CarbonylContact C-O 3.59Å; S424-A428 WeakPolarHBondContact CA-O 3.35Å; S424-A428 WeakPolarHBondContact CB-O 3.38Å; S424-N430 VanDerWaalsContact OG-C 3.28Å; S424-N430 WeakPolarHBondContact OG-CA 3.31Å; S424-N430 WeakPolarHBondContact OG-CB 3.47Å; S424-N430 PolarHBondContact OG-N 3.49Å; S424-D431 PolarHBondContact OG-N 2.94Å; S424-D431 VanDerWaalsContact OG-N 3.1Å; S424-G444 VanDerWaalsContact O-CA 3.22Å; S424-G444 WeakPolarHBondContact O-CA 3.34Å; S424-W445 PolarHBondContact N-O 3.25Å; S424-W445 PolarHBondContact O-N 2.89Å; S424-W445 VanDerWaalsContact O-N 3.09Å
425	T	98.8	Very high	96.8	Very high	3 Å²	3	47.8 Å²	47.8	2%	0.018	26%	0.261	C	S	.	.			trans	-129.7	178.3	-178.9	57.3	0	0	0	0	110.7	W339 Y342 F423 D427 A428 S438	W339-T425 HydrophobicContact CE3-CG2 4.11Å; W339-T425 PolarHBondContact N-OG1 3.27Å; Y342-T425 HydrophobicContact CD2-CG2 3.55Å; Y342-T425 HydrophobicContact CE2-CG2 4.29Å; Y342-T425 HydrophobicContact CG-CG2 4.02Å; F423-T425 HydrophobicContact CD1-CG2 3.93Å; F423-T425 HydrophobicContact CE1-CG2 3.58Å; T425-D427 VanDerWaalsContact CB-OD1 3.28Å; T425-D427 WeakPolarHBondContact CB-OD1 3.4Å; T425-D427 PolarHBondContact O-N 3.31Å; T425-D427 PolarHBondContact OG1-OD1 3.39Å; T425-A428 PolarHBondContact N-O 2.94Å; T425-A428 PolarHBondContact O-N 2.87Å; T425-A428 PolarHBondContact OG1-N 3.18Å; T425-S438 WeakPolarHBondContact CA-OG 3.31Å; T425-S438 WeakPolarHBondContact O-CB 3.37Å; T425-S438 PolarHBondContact O-OG 3.44Å
426	K	97.8	Very high	96.7	Very high	71 Å²	71	52.4 Å²	52.4	31%	0.309	28%	0.281	S	S	.	.	S	Bend	trans	-60.2	-20.5	-176.6	69	-172.5	174.6	-170.7	0	114	Q336 T338 S438 Q439	Q336-K426 HydrophobicContact CG-CD 4.32Å; Q336-K426 VanDerWaalsContact O-CD 3.29Å; Q336-K426 WeakPolarHBondContact O-CD 3.31Å; Q336-K426 WeakPolarHBondContact O-CE 3.44Å; Q336-K426 PolarHBondContact O-NZ 2.88Å; T338-K426 VanDerWaalsContact CG2-CE 3.44Å; K426-S438 PolarHBondContact N-OG 3.39Å; K426-S438 VanDerWaalsContact N-OG 3.08Å; K426-Q439 PolarHBondContact O-NE2 2.68Å
427	D	98.3	Very high	96.8	Very high	89 Å²	89	52.3 Å²	52.3	48%	0.476	28%	0.281	S	S	.	.	S	Bend	trans	-119	-11.7	-171.8	55.7	-32.3	0	0	0	113.8	T338 W339 T425	T338-D427 VanDerWaalsContact CA-OD1 3.31Å; T338-D427 WeakPolarHBondContact CA-OD1 3.3Å; T338-D427 WeakPolarHBondContact CA-OD2 3.28Å; T338-D427 WeakPolarHBondContact CB-OD2 3.49Å; W339-D427 VanDerWaalsContact N-CG 3.31Å; W339-D427 PolarHBondContact N-OD1 3.08Å; W339-D427 PolarHBondContact N-OD2 3.11Å; T425-D427 VanDerWaalsContact CB-OD1 3.28Å; T425-D427 WeakPolarHBondContact CB-OD1 3.4Å; T425-D427 PolarHBondContact O-N 3.31Å; T425-D427 PolarHBondContact OG1-OD1 3.39Å
428	A	97.8	Very high	96.9	Very high	21 Å²	21	51.7 Å²	51.7	17%	0.174	28%	0.277	C	S	.	.			trans	-132.6	118.6	176.8	0	0	0	0	0	110.5	W339 S424 T425	W339-A428 HydrophobicContact CB-CB 4.15Å; W339-A428 HydrophobicContact CD2-CB 4.01Å; W339-A428 HydrophobicContact CE3-CB 3.59Å; W339-A428 HydrophobicContact CG-CB 4.27Å; W339-A428 HydrophobicContact CZ3-CB 4.26Å; S424-A428 CarbonylContact C-O 3.59Å; S424-A428 WeakPolarHBondContact CA-O 3.35Å; S424-A428 WeakPolarHBondContact CB-O 3.38Å; T425-A428 PolarHBondContact N-O 2.94Å; T425-A428 PolarHBondContact O-N 2.87Å; T425-A428 PolarHBondContact OG1-N 3.18Å
429	D	98.3	Very high	97.1	Very high	74 Å²	74	51.7 Å²	51.7	40%	0.396	28%	0.277	S	S	.	.			trans	-116.5	89.9	-162.8	-167.5	28.3	0	0	0	109.6	K436	D429-K436 WeakPolarHBondContact OD2-CE 3.47Å; D429-K436 WeakPolarHBondContact OD2-CG 3.32Å; D429-K436 IonicContact OD2-NZ 3.16Å; D429-K436 PolarHBondContact OD2-NZ 2.95Å
430	N	98	Very high	97.2	Very high	48 Å²	48	50.7 Å²	50.7	26%	0.257	26%	0.264	S	S	.	.			trans	-118	12.3	-173	-53.5	-50.7	0	0	0	112.3	D422 F423 S424	D422-N430 HydrophobicContact CB-CB 3.7Å; F423-N430 WeakPolarHBondContact O-CB 3.31Å; F423-N430 PolarHBondContact O-ND2 2.86Å; S424-N430 VanDerWaalsContact OG-C 3.28Å; S424-N430 WeakPolarHBondContact OG-CA 3.31Å; S424-N430 WeakPolarHBondContact OG-CB 3.47Å; S424-N430 PolarHBondContact OG-N 3.49Å
431	D	96.9	Very high	97.3	Very high	22 Å²	22	50.1 Å²	50.1	12%	0.118	26%	0.256	C	S	.	.	S	Bend	trans	-83.1	179	-178.7	80.3	64.2	0	0	0	112.5	S424 C433 C437 F447	S424-D431 PolarHBondContact OG-N 2.94Å; S424-D431 VanDerWaalsContact OG-N 3.1Å; D431-C433 WeakPolarHBondContact OD1-CA 3.41Å; D431-C433 WeakPolarHBondContact OD1-CB 3.49Å; D431-C433 PolarHBondContact OD1-N 3.31Å; D431-C437 VanDerWaalsContact CG-SG 3.57Å; D431-C437 PolarHBondContact OD1-SG 3.4Å; D431-C437 VanDerWaalsContact OD1-SG 3.39Å; D431-C437 WeakPolarHBondContact OD2-CA 3.17Å; D431-C437 WeakPolarHBondContact OD2-CB 3.26Å; D431-C437 PolarHBondContact OD2-N 3.37Å; D431-C437 PolarHBondContact OD2-SG 2.99Å; D431-F447 HydrophobicContact CB-CB 3.77Å
432	K	95.8	Very high	97.3	Very high	128 Å²	128	50.6 Å²	50.6	56%	0.557	26%	0.259	S	S	*	.	S	Bend	trans	-103	7.9	-172.8	-71.1	172.2	175.5	166.3	0	113	N421 D448	N421-K432 WeakPolarHBondContact OD1-CE 3.37Å; N421-K432 PolarHBondContact OD1-NZ 3.45Å; K432-D448 CarbonylContact C-O 3.52Å; K432-D448 WeakPolarHBondContact CA-O 3.21Å; K432-D448 PolarHBondContact N-O 3.44Å
433	C	94.9	Very high	97.2	Very high	42 Å²	42	49.6 Å²	49.6	28%	0.284	25%	0.253	S	S	.	.	S	Bend	trans	-83.4	166.7	176.2	-158.5	0	0	0	0	111.7	D431 C435 D448 A449	D431-C433 WeakPolarHBondContact OD1-CA 3.41Å; D431-C433 WeakPolarHBondContact OD1-CB 3.49Å; D431-C433 PolarHBondContact OD1-N 3.31Å; C433-C435 VanDerWaalsContact C-N 3.28Å; C433-C435 HydrophobicContact CB-CB 4.15Å; C433-C435 WeakPolarHBondContact CB-O 3.45Å; C433-C435 WeakPolarHBondContact CB-SG 3.35Å; C433-C435 WeakPolarHBondContact SG-CB 3.45Å; C433-C435 PolarHBondContact SG-N 2.8Å; C433-C435 CovalentContact SG-SG 2.05Å; C433-C435 PolarHBondContact SG-SG 2.93Å; C433-D448 PolarHBondContact N-O 2.9Å; C433-A449 HydrophobicContact CB-CB 4.15Å
434	I	95.6	Very high	97.2	Very high	188 Å²	188	49.6 Å²	49.6	96%	0.964	25%	0.253	S	S	*	.	S	Bend	trans	-85.2	-13.9	160.6	-55.3	172.3	0	0	0	109.8
435	C	95	Very high	97.2	Very high	40 Å²	40	49.6 Å²	49.6	27%	0.27	25%	0.254	S	S	.	.	S	Bend	trans	-90.8	166	172.6	68.7	0	0	0	0	110.9	C433 M440	C433-C435 VanDerWaalsContact C-N 3.28Å; C433-C435 HydrophobicContact CB-CB 4.15Å; C433-C435 WeakPolarHBondContact CB-O 3.45Å; C433-C435 WeakPolarHBondContact CB-SG 3.35Å; C433-C435 WeakPolarHBondContact SG-CB 3.45Å; C433-C435 PolarHBondContact SG-N 2.8Å; C433-C435 CovalentContact SG-SG 2.05Å; C433-C435 PolarHBondContact SG-SG 2.93Å; C435-M440 HydrophobicContact CB-CE 4.47Å
436	K	96.9	Very high	97.2	Very high	96 Å²	96	49.7 Å²	49.7	42%	0.417	25%	0.254	S	S	.	.			trans	-98.6	96.2	174.4	-57.2	-166.9	173.1	-101.2	0	109.4	D429 S438 Q439 M440	D429-K436 WeakPolarHBondContact OD2-CE 3.47Å; D429-K436 WeakPolarHBondContact OD2-CG 3.32Å; D429-K436 IonicContact OD2-NZ 3.16Å; D429-K436 PolarHBondContact OD2-NZ 2.95Å; K436-S438 VanDerWaalsContact C-N 3.34Å; K436-S438 PolarHBondContact O-N 3.42Å; K436-Q439 HydrophobicContact CB-CB 4.01Å; K436-Q439 HydrophobicContact CB-CG 4.02Å; K436-Q439 HydrophobicContact CD-CG 4.47Å; K436-Q439 PolarHBondContact O-N 2.95Å; K436-Q439 VanDerWaalsContact O-N 3.12Å; K436-M440 WeakPolarHBondContact O-CB 3.48Å; K436-M440 PolarHBondContact O-N 3.49Å
437	C	97.8	Very high	97.2	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-64.6	-36.7	-167.4	-67.7	0	0	0	0	113.1	D431 Q439 M440 L441 F447 C450	D431-C437 VanDerWaalsContact CG-SG 3.57Å; D431-C437 PolarHBondContact OD1-SG 3.4Å; D431-C437 VanDerWaalsContact OD1-SG 3.39Å; D431-C437 WeakPolarHBondContact OD2-CA 3.17Å; D431-C437 WeakPolarHBondContact OD2-CB 3.26Å; D431-C437 PolarHBondContact OD2-N 3.37Å; D431-C437 PolarHBondContact OD2-SG 2.99Å; C437-Q439 PolarHBondContact O-N 3.15Å; C437-M440 PolarHBondContact O-N 2.89Å; C437-L441 VanDerWaalsContact O-CB 3.29Å; C437-L441 WeakPolarHBondContact O-CB 3.26Å; C437-L441 PolarHBondContact O-N 3.29Å; C437-F447 HydrophobicContact CB-CB 3.61Å; C437-F447 HydrophobicContact CB-CD1 3.83Å; C437-F447 HydrophobicContact CB-CD2 4.02Å; C437-F447 HydrophobicContact CB-CE1 4.49Å; C437-F447 HydrophobicContact CB-CG 3.55Å; C437-C450 HydrophobicContact CB-CB 3.63Å; C437-C450 WeakPolarHBondContact CB-SG 3.39Å; C437-C450 WeakPolarHBondContact SG-CA 3.39Å; C437-C450 WeakPolarHBondContact SG-CB 3.29Å; C437-C450 CovalentContact SG-SG 2.03Å; C437-C450 PolarHBondContact SG-SG 2.85Å
438	S	97.9	Very high	97.2	Very high	4 Å²	4	44.3 Å²	44.3	3%	0.028	23%	0.228	C	C	.	.	H	α-helix	trans	-65.5	-35.7	175	179.8	0	0	0	0	113	T425 K426 K436 T442 G443 F447	T425-S438 WeakPolarHBondContact CA-OG 3.31Å; T425-S438 WeakPolarHBondContact O-CB 3.37Å; T425-S438 PolarHBondContact O-OG 3.44Å; K426-S438 PolarHBondContact N-OG 3.39Å; K426-S438 VanDerWaalsContact N-OG 3.08Å; K436-S438 VanDerWaalsContact C-N 3.34Å; K436-S438 PolarHBondContact O-N 3.42Å; S438-T442 CarbonylContact O-C 3.55Å; S438-T442 WeakPolarHBondContact O-CA 3.42Å; S438-T442 PolarHBondContact O-N 2.81Å; S438-T442 VanDerWaalsContact O-N 3.11Å; S438-G443 WeakPolarHBondContact CB-O 3.44Å; S438-G443 PolarHBondContact OG-O 2.99Å; S438-F447 VanDerWaalsContact CA-CE2 3.47Å
439	Q	96.6	Very high	97.1	Very high	105 Å²	105	46.6 Å²	46.6	49%	0.491	25%	0.247	S	C	.	.	H	α-helix	trans	-73.8	-36.1	176.6	-61.5	-172.6	-3.8	0	0	111.9	K426 K436 C437	K426-Q439 PolarHBondContact O-NE2 2.68Å; K436-Q439 HydrophobicContact CB-CB 4.01Å; K436-Q439 HydrophobicContact CB-CG 4.02Å; K436-Q439 HydrophobicContact CD-CG 4.47Å; K436-Q439 PolarHBondContact O-N 2.95Å; K436-Q439 VanDerWaalsContact O-N 3.12Å; C437-Q439 PolarHBondContact O-N 3.15Å
440	M	96.5	Very high	96.9	Very high	88 Å²	88	43.8 Å²	43.8	43%	0.433	23%	0.233	S	C	.	.	H	α-helix	trans	-80.7	-39.8	-177.9	-175.9	175	65.5	0	0	113.6	C435 K436 C437 C450 F469	C435-M440 HydrophobicContact CB-CE 4.47Å; K436-M440 WeakPolarHBondContact O-CB 3.48Å; K436-M440 PolarHBondContact O-N 3.49Å; C437-M440 PolarHBondContact O-N 2.89Å; M440-C450 WeakPolarHBondContact CE-SG 3.44Å; M440-F469 HydrophobicContact CG-CE2 4.09Å; M440-F469 WeakPolarHBondContact O-CE2 3.32Å
441	L	96.3	Very high	96.8	Very high	8 Å²	8	42.7 Å²	42.7	4%	0.042	23%	0.233	C	C	.	.	H	α-helix	trans	-98.7	-5.6	-176.7	-57	-169.2	0	0	0	114.2	C437 F447 C450 N454 F469 N470	C437-L441 VanDerWaalsContact O-CB 3.29Å; C437-L441 WeakPolarHBondContact O-CB 3.26Å; C437-L441 PolarHBondContact O-N 3.29Å; L441-F447 HydrophobicContact CB-CE1 4.01Å; L441-F447 HydrophobicContact CB-CZ 4.31Å; L441-F447 HydrophobicContact CD1-CD1 4.1Å; L441-F447 HydrophobicContact CD1-CE1 3.79Å; L441-F447 HydrophobicContact CG-CE1 4.4Å; L441-C450 HydrophobicContact CD1-CB 3.49Å; L441-C450 VanDerWaalsContact CD1-CB 3.49Å; L441-C450 HydrophobicContact CG-CB 4.35Å; L441-N454 PolarHBondContact O-ND2 3.37Å; L441-F469 HydrophobicContact CD2-CD2 3.61Å; L441-F469 HydrophobicContact CD2-CE2 4.08Å; L441-N470 WeakPolarHBondContact O-CA 3.34Å; L441-N470 WeakPolarHBondContact O-CB 3.42Å
442	T	97.1	Very high	96.8	Very high	13 Å²	13	42.8 Å²	42.8	8%	0.08	24%	0.235	C	C	.	.			trans	56.3	165.5	-168.2	83.9	0	0	0	0	114.3	S438 N454 M458	S438-T442 CarbonylContact O-C 3.55Å; S438-T442 WeakPolarHBondContact O-CA 3.42Å; S438-T442 PolarHBondContact O-N 2.81Å; S438-T442 VanDerWaalsContact O-N 3.11Å; T442-N454 PolarHBondContact O-ND2 3.44Å; T442-M458 HydrophobicContact CG2-CG 3.88Å; T442-M458 HydrophobicContact CG2-SD 3.83Å; T442-M458 VanDerWaalsContact OG1-CG 3.29Å; T442-M458 WeakPolarHBondContact OG1-CG 3.35Å; T442-M458 PolarHBondContact OG1-N 3.23Å; T442-M458 VanDerWaalsContact OG1-N 3.16Å; T442-M458 PolarHBondContact OG1-SD 3.47Å; T442-M458 VanDerWaalsContact OG1-SD 3.36Å
443	G	98.1	Very high	96.9	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.01	21%	0.209	C	C	.	.	S	Bend	trans	77.5	160.8	-175.4	0	0	0	0	0	114.5	F335 S438 N456	F335-G443 WeakPolarHBondContact O-CA 3.47Å; S438-G443 WeakPolarHBondContact CB-O 3.44Å; S438-G443 PolarHBondContact OG-O 2.99Å; G443-N456 WeakPolarHBondContact CA-O 3.49Å
444	G	98.6	Very high	97.1	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.196	C	C	.	.			trans	-94.1	132.1	166.5	0	0	0	0	0	109.9	Y342 F423 S424 N456	Y342-G444 PolarHBondContact OH-N 3.38Å; F423-G444 WeakPolarHBondContact CZ-O 3.42Å; S424-G444 VanDerWaalsContact O-CA 3.22Å; S424-G444 WeakPolarHBondContact O-CA 3.34Å; G444-N456 WeakPolarHBondContact O-CB 3.24Å; G444-N456 PolarHBondContact O-ND2 2.93Å
445	W	98.8	Very high	97.3	Very high	1 Å²	1	26 Å²	26	0%	0.004	15%	0.15	C	C	.	.	B	Isolated β-bridge	trans	-157	165.8	-177.5	-159.6	-116.1	0	0	0	111.9	W354 I416 S424 F447 S453 L455 N456 M489	W354-W445 HydrophobicContact CZ3-CZ3 4.41Å; I416-W445 HydrophobicContact CD1-CZ2 4.12Å; I416-W445 HydrophobicContact CG1-CZ2 4.01Å; S424-W445 PolarHBondContact N-O 3.25Å; S424-W445 PolarHBondContact O-N 2.89Å; S424-W445 VanDerWaalsContact O-N 3.09Å; W445-F447 HydrophobicContact CB-CD1 4.08Å; W445-F447 HydrophobicContact CB-CD2 3.8Å; W445-F447 HydrophobicContact CB-CE1 3.79Å; W445-F447 HydrophobicContact CB-CE2 3.48Å; W445-F447 VanDerWaalsContact CB-CE2 3.48Å; W445-F447 HydrophobicContact CB-CG 4.1Å; W445-F447 HydrophobicContact CB-CZ 3.49Å; W445-F447 VanDerWaalsContact CB-CZ 3.49Å; W445-F447 HydrophobicContact CG-CE1 4.41Å; W445-F447 WeakPolarHBondContact O-CD2 3.29Å; W445-F447 PolarHBondContact O-N 2.87Å; W445-S453 PolarHBondContact NE1-O 3.47Å; W445-S453 PolarHBondContact NE1-OG 3.31Å; W445-L455 HydrophobicContact CH2-CB 3.72Å; W445-L455 HydrophobicContact CH2-CD1 3.84Å; W445-L455 HydrophobicContact CH2-CG 3.6Å; W445-L455 HydrophobicContact CZ2-CB 4.4Å; W445-L455 HydrophobicContact CZ2-CD1 4.45Å; W445-L455 HydrophobicContact CZ2-CG 3.98Å; W445-L455 HydrophobicContact CZ3-CB 3.89Å; W445-L455 HydrophobicContact CZ3-CG 4.29Å; W445-N456 HydrophobicContact CE3-CB 4.39Å; W445-M489 HydrophobicContact CH2-CE 4.06Å; W445-M489 HydrophobicContact CH2-SD 3.65Å; W445-M489 HydrophobicContact CZ3-CE 4.49Å; W445-M489 HydrophobicContact CZ3-SD 3.81Å
446	W	98.6	Very high	97.4	Very high	5 Å²	5	24 Å²	24	2%	0.019	14%	0.137	C	C	.	.			trans	-78.7	69	167	-51.9	-81.4	0	0	0	110	W354 L392 Y399 I401 N421 F423 M489	W354-W446 AromaticContact CH2-CH2 3.71Å; W354-W446 HydrophobicContact CH2-CH2 3.71Å; W354-W446 HydrophobicContact CH2-CZ2 4.49Å; W354-W446 HydrophobicContact CH2-CZ3 4.2Å; W354-W446 HydrophobicContact CZ2-CH2 4.14Å; L392-W446 HydrophobicContact CD1-CZ2 3.98Å; L392-W446 HydrophobicContact CD2-CH2 4.28Å; L392-W446 HydrophobicContact CD2-CZ2 3.4Å; L392-W446 VanDerWaalsContact CD2-CZ2 3.4Å; L392-W446 HydrophobicContact CG-CZ2 4.36Å; Y399-W446 PolarHBondContact O-NE1 2.88Å; I401-W446 HydrophobicContact CB-CB 4.49Å; I401-W446 HydrophobicContact CB-CD2 3.81Å; I401-W446 HydrophobicContact CB-CG 3.73Å; I401-W446 HydrophobicContact CD1-CD2 3.81Å; I401-W446 HydrophobicContact CD1-CE3 3.7Å; I401-W446 HydrophobicContact CD1-CG 4.48Å; I401-W446 HydrophobicContact CD1-CH2 4.11Å; I401-W446 HydrophobicContact CD1-CZ2 4.22Å; I401-W446 HydrophobicContact CD1-CZ3 3.86Å; I401-W446 HydrophobicContact CG1-CD2 4.39Å; I401-W446 HydrophobicContact CG2-CB 3.68Å; I401-W446 HydrophobicContact CG2-CD2 3.94Å; I401-W446 HydrophobicContact CG2-CG 3.46Å; I401-W446 VanDerWaalsContact CG2-CG 3.46Å; N421-W446 VanDerWaalsContact O-CD1 3.23Å; F423-W446 AromaticContact CD2-CD1 3.81Å; F423-W446 AromaticContact CD2-CD2 3.87Å; F423-W446 HydrophobicContact CD2-CD2 3.87Å; F423-W446 AromaticContact CD2-CE2 3.55Å; F423-W446 HydrophobicContact CD2-CG 4.04Å; F423-W446 AromaticContact CD2-CZ2 4Å; F423-W446 HydrophobicContact CD2-CZ2 4Å; F423-W446 AromaticContact CD2-NE1 3.53Å; F423-W446 HydrophobicContact CE2-CD2 4.35Å; F423-W446 HydrophobicContact CE2-CZ2 4.19Å; W446-M489 HydrophobicContact CH2-CE 4.43Å; W446-M489 HydrophobicContact CZ3-CE 4.13Å
447	F	98.4	Very high	97.5	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	12%	0.118	C	C	.	.			trans	-67.7	161	-179	-66.1	-70.6	0	0	0	112.2	N421 D431 C437 S438 L441 W445 C450 N454	N421-F447 WeakPolarHBondContact CB-O 3.28Å; N421-F447 PolarHBondContact ND2-O 3.13Å; D431-F447 HydrophobicContact CB-CB 3.77Å; C437-F447 HydrophobicContact CB-CB 3.61Å; C437-F447 HydrophobicContact CB-CD1 3.83Å; C437-F447 HydrophobicContact CB-CD2 4.02Å; C437-F447 HydrophobicContact CB-CE1 4.49Å; C437-F447 HydrophobicContact CB-CG 3.55Å; S438-F447 VanDerWaalsContact CA-CE2 3.47Å; L441-F447 HydrophobicContact CB-CE1 4.01Å; L441-F447 HydrophobicContact CB-CZ 4.31Å; L441-F447 HydrophobicContact CD1-CD1 4.1Å; L441-F447 HydrophobicContact CD1-CE1 3.79Å; L441-F447 HydrophobicContact CG-CE1 4.4Å; W445-F447 HydrophobicContact CB-CD1 4.08Å; W445-F447 HydrophobicContact CB-CD2 3.8Å; W445-F447 HydrophobicContact CB-CE1 3.79Å; W445-F447 HydrophobicContact CB-CE2 3.48Å; W445-F447 VanDerWaalsContact CB-CE2 3.48Å; W445-F447 HydrophobicContact CB-CG 4.1Å; W445-F447 HydrophobicContact CB-CZ 3.49Å; W445-F447 VanDerWaalsContact CB-CZ 3.49Å; W445-F447 HydrophobicContact CG-CE1 4.41Å; W445-F447 WeakPolarHBondContact O-CD2 3.29Å; W445-F447 PolarHBondContact O-N 2.87Å; F447-C450 HydrophobicContact CD1-CB 4.42Å; F447-N454 HydrophobicContact CE1-CB 4.09Å
448	D	96.8	Very high	97.5	Very high	46 Å²	46	23 Å²	23	25%	0.246	14%	0.135	C	C	.	.	S	Bend	trans	-120.9	-107.8	-179.2	-161.5	23.9	0	0	0	109.6	S417 N421 K432 C433 C450	S417-D448 VanDerWaalsContact CB-OD2 3.28Å; S417-D448 WeakPolarHBondContact CB-OD2 3.29Å; S417-D448 WeakPolarHBondContact OG-CB 3.46Å; S417-D448 VanDerWaalsContact OG-CG 3.23Å; S417-D448 PolarHBondContact OG-OD2 3.15Å; N421-D448 WeakPolarHBondContact ND2-CA 3.37Å; N421-D448 WeakPolarHBondContact ND2-CB 3.43Å; N421-D448 PolarHBondContact ND2-OD1 2.83Å; K432-D448 CarbonylContact C-O 3.52Å; K432-D448 WeakPolarHBondContact CA-O 3.21Å; K432-D448 PolarHBondContact N-O 3.44Å; C433-D448 PolarHBondContact N-O 2.9Å; D448-C450 PolarHBondContact N-O 3.35Å
449	A	95.8	Very high	97.5	Very high	69 Å²	69	24.6 Å²	24.6	57%	0.57	14%	0.141	S	C	*	.	S	Bend	trans	-132.8	56.5	164	0	0	0	0	0	112.6	C433	C433-A449 HydrophobicContact CB-CB 4.15Å
450	C	95.5	Very high	97.6	Very high	16 Å²	16	21.9 Å²	21.9	11%	0.108	13%	0.126	C	C	.	.	S	Bend	cis	-102.9	-1.4	-0.8	-66.9	0	0	0	0	113.7	C437 M440 L441 F447 D448	C437-C450 HydrophobicContact CB-CB 3.63Å; C437-C450 WeakPolarHBondContact CB-SG 3.39Å; C437-C450 WeakPolarHBondContact SG-CA 3.39Å; C437-C450 WeakPolarHBondContact SG-CB 3.29Å; C437-C450 CovalentContact SG-SG 2.03Å; C437-C450 PolarHBondContact SG-SG 2.85Å; M440-C450 WeakPolarHBondContact CE-SG 3.44Å; L441-C450 HydrophobicContact CD1-CB 3.49Å; L441-C450 VanDerWaalsContact CD1-CB 3.49Å; L441-C450 HydrophobicContact CG-CB 4.35Å; F447-C450 HydrophobicContact CD1-CB 4.42Å; D448-C450 PolarHBondContact N-O 3.35Å
451	G	95.3	Very high	97.6	Very high	24 Å²	24	20.5 Å²	20.5	25%	0.247	12%	0.124	C	C	.	.			trans	93.3	169.7	175.3	0	0	0	0	0	116.2	S453 K473	G451-S453 PolarHBondContact O-N 3.49Å; G451-K473 PolarHBondContact O-NZ 2.77Å
452	P	97.2	Very high	97.3	Very high	25 Å²	25	25.3 Å²	25.3	16%	0.162	15%	0.146	C	C	.	.	S	Bend	trans	-84.5	-3.7	-166.4	1	14.3	0	0	0	116	S415 Y475 Y476	S415-P452 CarbonylContact O-C 3.41Å; S415-P452 VanDerWaalsContact O-C 3.23Å; S415-P452 WeakPolarHBondContact O-CB 3.48Å; S415-P452 WeakPolarHBondContact O-CD 3.38Å; S415-P452 WeakPolarHBondContact O-CG 3.45Å; P452-Y475 HydrophobicContact CB-CG 4.23Å; P452-Y475 WeakPolarHBondContact O-CB 3.28Å; P452-Y475 PolarHBondContact O-N 2.87Å; P452-Y476 HydrophobicContact CB-CE2 4.12Å; P452-Y476 HydrophobicContact CG-CE2 4.15Å
453	S	98.2	Very high	97	Very high	3 Å²	3	35.4 Å²	35.4	2%	0.021	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	156.8	-179.7	50.9	0	0	0	0	111.9	S415 I416 W445 G451 K473	S415-S453 WeakPolarHBondContact O-CB 3.49Å; S415-S453 PolarHBondContact O-N 2.96Å; S415-S453 PolarHBondContact O-OG 3.06Å; I416-S453 WeakPolarHBondContact CG1-OG 3.3Å; W445-S453 PolarHBondContact NE1-O 3.47Å; W445-S453 PolarHBondContact NE1-OG 3.31Å; G451-S453 PolarHBondContact O-N 3.49Å; S453-K473 WeakPolarHBondContact CA-O 3.41Å; S453-K473 VanDerWaalsContact O-CE 3.23Å; S453-K473 WeakPolarHBondContact O-CE 3.31Å
454	N	98.5	Very high	96.8	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.2	100.3	158.2	-179.3	8.7	0	0	0	106.5	L441 T442 F447 N456 G457 I472 K473	L441-N454 PolarHBondContact O-ND2 3.37Å; T442-N454 PolarHBondContact O-ND2 3.44Å; F447-N454 HydrophobicContact CE1-CB 4.09Å; N454-N456 VanDerWaalsContact C-N 3.27Å; N454-N456 PolarHBondContact OD1-N 3.21Å; N454-G457 WeakPolarHBondContact ND2-CA 3.4Å; N454-G457 PolarHBondContact ND2-N 2.97Å; N454-G457 PolarHBondContact OD1-N 2.85Å; N454-G457 VanDerWaalsContact OD1-N 3.14Å; N454-I472 CarbonylContact O-C 3.6Å; N454-I472 WeakPolarHBondContact O-CA 3.37Å; N454-K473 HydrophobicContact CB-CD 4.45Å; N454-K473 HydrophobicContact CB-CG 4.07Å; N454-K473 PolarHBondContact N-O 2.86Å; N454-K473 VanDerWaalsContact N-O 3.07Å; N454-K473 PolarHBondContact O-N 2.94Å
455	L	98.8	Very high	96.6	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-9.3	178	-54.4	-174	0	0	0	112.3	Q326 I373 L375 W445 I472 W474 T487 M489	Q326-L455 PolarHBondContact NE2-O 3.43Å; I373-L455 HydrophobicContact CG2-CD1 3.61Å; L375-L455 HydrophobicContact CD2-CD1 4.24Å; L375-L455 HydrophobicContact CD2-CD2 4.09Å; W445-L455 HydrophobicContact CH2-CB 3.72Å; W445-L455 HydrophobicContact CH2-CD1 3.84Å; W445-L455 HydrophobicContact CH2-CG 3.6Å; W445-L455 HydrophobicContact CZ2-CB 4.4Å; W445-L455 HydrophobicContact CZ2-CD1 4.45Å; W445-L455 HydrophobicContact CZ2-CG 3.98Å; W445-L455 HydrophobicContact CZ3-CB 3.89Å; W445-L455 HydrophobicContact CZ3-CG 4.29Å; L455-I472 HydrophobicContact CD2-CG2 4.46Å; L455-W474 HydrophobicContact CD1-CE3 4.33Å; L455-W474 HydrophobicContact CD1-CZ3 4.34Å; L455-W474 HydrophobicContact CD2-CB 4.49Å; L455-W474 HydrophobicContact CD2-CE3 3.87Å; L455-W474 HydrophobicContact CG-CE3 4.29Å; L455-T487 HydrophobicContact CD2-CG2 4.13Å; L455-M489 HydrophobicContact CD1-CG 4Å; L455-M489 HydrophobicContact CD1-SD 4.07Å
456	N	98.8	Very high	96.3	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	8.4	-178.6	-67.5	-12.3	0	0	0	112.7	Q326 F335 W354 G443 G444 W445 N454	Q326-N456 PolarHBondContact NE2-OD1 3.04Å; F335-N456 HydrophobicContact CB-CB 4.47Å; F335-N456 WeakPolarHBondContact CB-O 3.4Å; F335-N456 HydrophobicContact CD1-CB 3.86Å; W354-N456 WeakPolarHBondContact CZ3-ND2 3.21Å; G443-N456 WeakPolarHBondContact CA-O 3.49Å; G444-N456 WeakPolarHBondContact O-CB 3.24Å; G444-N456 PolarHBondContact O-ND2 2.93Å; W445-N456 HydrophobicContact CE3-CB 4.39Å; N454-N456 VanDerWaalsContact C-N 3.27Å; N454-N456 PolarHBondContact OD1-N 3.21Å
457	G	97.9	Very high	96.2	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.01	27%	0.266	C	S	.	.	S	Bend	trans	-69	-175.1	176.7	0	0	0	0	0	114	R328 N454 Y459	R328-G457 PolarHBondContact NH1-O 2.94Å; N454-G457 WeakPolarHBondContact ND2-CA 3.4Å; N454-G457 PolarHBondContact ND2-N 2.97Å; N454-G457 PolarHBondContact OD1-N 2.85Å; N454-G457 VanDerWaalsContact OD1-N 3.14Å; G457-Y459 PolarHBondContact O-N 3.24Å
458	M	98.1	Very high	96	Very high	72 Å²	72	53.6 Å²	53.6	36%	0.355	28%	0.277	S	S	.	.	B	Isolated β-bridge	trans	-61.8	130.2	178.2	-64.9	-49.9	-65	0	0	111.5	T442 Y460 N470 G471 I472	T442-M458 HydrophobicContact CG2-CG 3.88Å; T442-M458 HydrophobicContact CG2-SD 3.83Å; T442-M458 VanDerWaalsContact OG1-CG 3.29Å; T442-M458 WeakPolarHBondContact OG1-CG 3.35Å; T442-M458 PolarHBondContact OG1-N 3.23Å; T442-M458 VanDerWaalsContact OG1-N 3.16Å; T442-M458 PolarHBondContact OG1-SD 3.47Å; T442-M458 VanDerWaalsContact OG1-SD 3.36Å; M458-Y460 HydrophobicContact CB-CD2 4.08Å; M458-Y460 HydrophobicContact CB-CE2 3.53Å; M458-Y460 HydrophobicContact CG-CE2 4.41Å; M458-Y460 WeakPolarHBondContact O-CD2 3.3Å; M458-N470 WeakPolarHBondContact CB-O 3.47Å; M458-N470 WeakPolarHBondContact CG-ND2 3.24Å; M458-N470 PolarHBondContact N-O 3.3Å; M458-G471 WeakPolarHBondContact O-CA 3.49Å; M458-I472 PolarHBondContact O-N 2.87Å
459	Y	98.4	Very high	95.9	Very high	38 Å²	38	57.2 Å²	57.2	15%	0.149	29%	0.291	C	S	.	.			trans	-72.2	129	167.6	-165.5	-77.3	0	0	0	109.3	E329 G331 W378 G457 I472 K485	E329-Y459 VanDerWaalsContact C-CE2 3.5Å; E329-Y459 PolarHBondContact O-OH 3.43Å; G331-Y459 VanDerWaalsContact N-CD2 3.27Å; W378-Y459 AromaticContact CH2-CE1 3.78Å; W378-Y459 HydrophobicContact CH2-CE1 3.78Å; W378-Y459 AromaticContact CH2-CZ 3.84Å; W378-Y459 WeakPolarHBondContact CH2-OH 3.31Å; W378-Y459 AromaticContact CZ2-CE1 3.64Å; W378-Y459 HydrophobicContact CZ2-CE1 3.64Å; W378-Y459 AromaticContact CZ2-CZ 3.71Å; W378-Y459 WeakPolarHBondContact CZ2-OH 3.26Å; G457-Y459 PolarHBondContact O-N 3.24Å; Y459-I472 HydrophobicContact CD2-CD1 3.57Å; Y459-I472 HydrophobicContact CE2-CD1 4.42Å; Y459-I472 HydrophobicContact CG-CD1 4.13Å; Y459-K485 WeakPolarHBondContact CE2-O 3.39Å; Y459-K485 PolarHBondContact OH-O 2.89Å; Y459-K485 VanDerWaalsContact OH-O 3.1Å
460	Y	98.1	Very high	95.9	Very high	48 Å²	48	54.9 Å²	54.9	19%	0.188	27%	0.269	C	S	.	.			trans	-122.6	124.2	175.1	-77.3	-76.5	0	0	0	110.1	W378 M458 K468 N470	W378-Y460 WeakPolarHBondContact CZ2-O 3.44Å; M458-Y460 HydrophobicContact CB-CD2 4.08Å; M458-Y460 HydrophobicContact CB-CE2 3.53Å; M458-Y460 HydrophobicContact CG-CE2 4.41Å; M458-Y460 WeakPolarHBondContact O-CD2 3.3Å; Y460-K468 HydrophobicContact CD1-CD 4.06Å; Y460-K468 HydrophobicContact CD1-CG 4.1Å; Y460-K468 HydrophobicContact CD2-CB 3.68Å; Y460-K468 HydrophobicContact CD2-CD 4.13Å; Y460-K468 HydrophobicContact CD2-CG 3.59Å; Y460-K468 HydrophobicContact CE1-CD 3.82Å; Y460-K468 HydrophobicContact CE1-CG 4.29Å; Y460-K468 HydrophobicContact CE2-CB 3.71Å; Y460-K468 HydrophobicContact CE2-CD 3.86Å; Y460-K468 HydrophobicContact CE2-CG 3.76Å; Y460-K468 HydrophobicContact CG-CB 4.36Å; Y460-K468 HydrophobicContact CG-CD 4.22Å; Y460-K468 HydrophobicContact CG-CG 3.76Å; Y460-N470 PolarHBondContact OH-ND2 3.46Å; Y460-N470 VanDerWaalsContact OH-ND2 3.09Å; Y460-N470 PolarHBondContact OH-OD1 3.49Å
461	P	96.1	Very high	96	Very high	59 Å²	59	54.1 Å²	54.1	38%	0.383	26%	0.264	S	S	.	.			trans	-69.8	168.8	-176.5	30	-36.2	0	0	0	112.6	R463 Q464 N465	P461-R463 PolarHBondContact O-N 3.01Å; P461-Q464 HydrophobicContact CG-CB 4.3Å; P461-Q464 HydrophobicContact CG-CG 4.31Å; P461-Q464 WeakPolarHBondContact O-CA 3.42Å; P461-Q464 WeakPolarHBondContact O-CB 3.23Å; P461-Q464 PolarHBondContact O-N 3.25Å; P461-N465 PolarHBondContact O-N 3.42Å; P461-N465 VanDerWaalsContact O-N 3.13Å
462	Q	91.5	Very high	96.2	Very high	109 Å²	109	53 Å²	53	51%	0.509	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.3	140.4	176.2	-154.4	177.4	44.9	0	0	112	W378 Q464	W378-Q462 HydrophobicContact CB-CG 4.28Å; W378-Q462 HydrophobicContact CD2-CB 4.09Å; W378-Q462 HydrophobicContact CD2-CG 4.31Å; W378-Q462 HydrophobicContact CE3-CB 3.43Å; W378-Q462 VanDerWaalsContact CE3-CB 3.43Å; W378-Q462 HydrophobicContact CE3-CG 3.78Å; W378-Q462 HydrophobicContact CZ3-CB 3.74Å; W378-Q462 PolarHBondContact O-NE2 2.89Å; Q462-Q464 PolarHBondContact O-N 3.33Å; Q462-Q464 VanDerWaalsContact O-N 3.14Å
463	R	90.5	Very high	96.2	Very high	225 Å²	225	52.8 Å²	52.8	85%	0.849	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.5	-12.9	-175	-45.7	177.3	-177.5	-178.7	-1.2	114.8	P461 N465	P461-R463 PolarHBondContact O-N 3.01Å; R463-N465 PolarHBondContact N-OD1 3.02Å
464	Q	93.9	Very high	96.2	Very high	112 Å²	112	52.6 Å²	52.6	52%	0.523	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.6	-11.4	170	-57.7	-171.5	10.1	0	0	112.8	P461 Q462 T466 K468	P461-Q464 HydrophobicContact CG-CB 4.3Å; P461-Q464 HydrophobicContact CG-CG 4.31Å; P461-Q464 WeakPolarHBondContact O-CA 3.42Å; P461-Q464 WeakPolarHBondContact O-CB 3.23Å; P461-Q464 PolarHBondContact O-N 3.25Å; Q462-Q464 PolarHBondContact O-N 3.33Å; Q462-Q464 VanDerWaalsContact O-N 3.14Å; Q464-T466 PolarHBondContact O-N 2.84Å; Q464-T466 VanDerWaalsContact O-N 3.15Å; Q464-K468 WeakPolarHBondContact O-CE 3.42Å; Q464-K468 WeakPolarHBondContact O-CG 3.27Å; Q464-K468 PolarHBondContact O-NZ 2.95Å
465	N	92.6	Very high	96.2	Very high	7 Å²	7	57.9 Å²	57.9	4%	0.037	27%	0.268	C	S	.	.			trans	-67.9	-7.9	-173.2	63.3	-71.4	0	0	0	116.1	W378 P461 R463 Y482 S483	W378-N465 VanDerWaalsContact CD1-ND2 3.34Å; W378-N465 HydrophobicContact CG-CB 4.28Å; P461-N465 PolarHBondContact O-N 3.42Å; P461-N465 VanDerWaalsContact O-N 3.13Å; R463-N465 PolarHBondContact N-OD1 3.02Å; N465-Y482 WeakPolarHBondContact ND2-CE2 3.46Å; N465-Y482 VanDerWaalsContact ND2-CZ 3.33Å; N465-Y482 PolarHBondContact ND2-OH 2.98Å; N465-S483 PolarHBondContact O-N 3.37Å
466	T	94.4	Very high	96.1	Very high	72 Å²	72	62.1 Å²	62.1	44%	0.442	28%	0.284	S	S	.	.	B	Isolated β-bridge	trans	-98.3	151.8	179.3	54.5	0	0	0	0	113.2	Q464 K468 G481 Y482	Q464-T466 PolarHBondContact O-N 2.84Å; Q464-T466 VanDerWaalsContact O-N 3.15Å; T466-K468 VanDerWaalsContact C-N 3.34Å; T466-K468 PolarHBondContact O-N 2.81Å; T466-K468 PolarHBondContact O-NZ 2.87Å; T466-G481 CarbonylContact C-O 3.55Å; T466-Y482 HydrophobicContact CG2-CD2 4.36Å
467	N	94.6	Very high	96.1	Very high	147 Å²	147	65 Å²	65	79%	0.786	30%	0.295	S	S	*	.	S	Bend	trans	53.4	43.7	-174.4	-60.2	-22.6	0	0	0	113.6	G481	N467-G481 WeakPolarHBondContact CA-O 3.25Å; N467-G481 PolarHBondContact N-O 3.2Å
468	K	94.9	Very high	96.1	Very high	51 Å²	51	67.5 Å²	67.5	22%	0.222	31%	0.306	C	S	.	.			trans	-115.1	100.6	177.8	-59.2	-58.1	179.7	-60.8	0	111.3	Y460 Q464 T466 N470 G471 G481	Y460-K468 HydrophobicContact CD1-CD 4.06Å; Y460-K468 HydrophobicContact CD1-CG 4.1Å; Y460-K468 HydrophobicContact CD2-CB 3.68Å; Y460-K468 HydrophobicContact CD2-CD 4.13Å; Y460-K468 HydrophobicContact CD2-CG 3.59Å; Y460-K468 HydrophobicContact CE1-CD 3.82Å; Y460-K468 HydrophobicContact CE1-CG 4.29Å; Y460-K468 HydrophobicContact CE2-CB 3.71Å; Y460-K468 HydrophobicContact CE2-CD 3.86Å; Y460-K468 HydrophobicContact CE2-CG 3.76Å; Y460-K468 HydrophobicContact CG-CB 4.36Å; Y460-K468 HydrophobicContact CG-CD 4.22Å; Y460-K468 HydrophobicContact CG-CG 3.76Å; Q464-K468 WeakPolarHBondContact O-CE 3.42Å; Q464-K468 WeakPolarHBondContact O-CG 3.27Å; Q464-K468 PolarHBondContact O-NZ 2.95Å; T466-K468 VanDerWaalsContact C-N 3.34Å; T466-K468 PolarHBondContact O-N 2.81Å; T466-K468 PolarHBondContact O-NZ 2.87Å; K468-N470 VanDerWaalsContact C-N 3.35Å; K468-G471 PolarHBondContact O-N 3.38Å; K468-G481 PolarHBondContact N-O 3.44Å
469	F	94.1	Very high	95.9	Very high	123 Å²	123	65.2 Å²	65.2	54%	0.539	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-29.3	-176.7	71.9	-82.1	0	0	0	113.4	M440 L441	M440-F469 HydrophobicContact CG-CE2 4.09Å; M440-F469 WeakPolarHBondContact O-CE2 3.32Å; L441-F469 HydrophobicContact CD2-CD2 3.61Å; L441-F469 HydrophobicContact CD2-CE2 4.08Å
470	N	96.8	Very high	95.5	Very high	20 Å²	20	67 Å²	67	11%	0.107	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	13.7	175.5	66.4	-35	0	0	0	113	L441 M458 Y460 K468	L441-N470 WeakPolarHBondContact O-CA 3.34Å; L441-N470 WeakPolarHBondContact O-CB 3.42Å; M458-N470 WeakPolarHBondContact CB-O 3.47Å; M458-N470 WeakPolarHBondContact CG-ND2 3.24Å; M458-N470 PolarHBondContact N-O 3.3Å; Y460-N470 PolarHBondContact OH-ND2 3.46Å; Y460-N470 VanDerWaalsContact OH-ND2 3.09Å; Y460-N470 PolarHBondContact OH-OD1 3.49Å; K468-N470 VanDerWaalsContact C-N 3.35Å
471	G	97.4	Very high	95.2	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	32%	0.32	C	S	.	.	B	Isolated β-bridge	trans	-81	176.2	178.8	0	0	0	0	0	113.5	M458 K468 K473	M458-G471 WeakPolarHBondContact O-CA 3.49Å; K468-G471 PolarHBondContact O-N 3.38Å; G471-K473 PolarHBondContact O-N 3.03Å
472	I	98.5	Very high	95.3	Very high	0 Å²	0	64 Å²	64	0%	0	31%	0.306	C	S	.	.	S	Bend	trans	-69.9	90.3	172.2	-58.8	172.8	0	0	0	108.7	R328 N454 L455 M458 Y459 S483 L484 T487	R328-I472 HydrophobicContact CB-CD1 4.1Å; R328-I472 HydrophobicContact CG-CD1 4.16Å; N454-I472 CarbonylContact O-C 3.6Å; N454-I472 WeakPolarHBondContact O-CA 3.37Å; L455-I472 HydrophobicContact CD2-CG2 4.46Å; M458-I472 PolarHBondContact O-N 2.87Å; Y459-I472 HydrophobicContact CD2-CD1 3.57Å; Y459-I472 HydrophobicContact CE2-CD1 4.42Å; Y459-I472 HydrophobicContact CG-CD1 4.13Å; I472-S483 PolarHBondContact N-OG 3.3Å; I472-S483 VanDerWaalsContact N-OG 3.13Å; I472-S483 CarbonylContact O-C 3.58Å; I472-S483 WeakPolarHBondContact O-CA 3.46Å; I472-L484 HydrophobicContact CG2-CB 4.04Å; I472-L484 WeakPolarHBondContact O-CG 3.49Å; I472-L484 PolarHBondContact O-N 2.85Å; I472-T487 HydrophobicContact CG2-CG2 3.51Å
473	K	97.8	Very high	95.6	Very high	20 Å²	20	58.8 Å²	58.8	9%	0.087	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	143.5	-165.8	72.5	-178.9	-173.7	173.3	0	113.9	G451 S453 N454 G471	G451-K473 PolarHBondContact O-NZ 2.77Å; S453-K473 WeakPolarHBondContact CA-O 3.41Å; S453-K473 VanDerWaalsContact O-CE 3.23Å; S453-K473 WeakPolarHBondContact O-CE 3.31Å; N454-K473 HydrophobicContact CB-CD 4.45Å; N454-K473 HydrophobicContact CB-CG 4.07Å; N454-K473 PolarHBondContact N-O 2.86Å; N454-K473 VanDerWaalsContact N-O 3.07Å; N454-K473 PolarHBondContact O-N 2.94Å; G471-K473 PolarHBondContact O-N 3.03Å
474	W	98.4	Very high	96	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	95.7	169.1	-167	-95.8	0	0	0	110.5	I373 L375 S385 A410 S415 I416 L455 Y476 W477 K478 L484	I373-W474 HydrophobicContact CD1-CH2 3.64Å; I373-W474 HydrophobicContact CD1-CZ3 3.92Å; L375-W474 HydrophobicContact CD1-CB 3.88Å; L375-W474 HydrophobicContact CD1-CD2 3.93Å; L375-W474 HydrophobicContact CD1-CG 3.51Å; S385-W474 WeakPolarHBondContact OG-CZ2 3.08Å; A410-W474 PolarHBondContact O-NE1 2.89Å; S415-W474 VanDerWaalsContact OG-CD1 3.31Å; S415-W474 VanDerWaalsContact OG-CE2 3.25Å; S415-W474 PolarHBondContact OG-NE1 3.24Å; S415-W474 VanDerWaalsContact OG-NE1 3.15Å; I416-W474 HydrophobicContact CD1-CH2 4.08Å; I416-W474 HydrophobicContact CD1-CZ3 4.16Å; I416-W474 HydrophobicContact CG1-CH2 3.95Å; I416-W474 HydrophobicContact CG1-CZ3 3.87Å; L455-W474 HydrophobicContact CD1-CE3 4.33Å; L455-W474 HydrophobicContact CD1-CZ3 4.34Å; L455-W474 HydrophobicContact CD2-CB 4.49Å; L455-W474 HydrophobicContact CD2-CE3 3.87Å; L455-W474 HydrophobicContact CG-CE3 4.29Å; W474-Y476 PolarHBondContact O-N 2.91Å; W474-W477 PolarHBondContact O-N 2.9Å; W474-K478 PolarHBondContact O-N 3.38Å; W474-K478 VanDerWaalsContact O-N 3.16Å; W474-L484 HydrophobicContact CB-CD1 4.13Å
475	Y	97.9	Very high	96.2	Very high	111 Å²	111	47.3 Å²	47.3	44%	0.435	24%	0.237	S	C	.	.	H	α-helix	trans	-57.2	-48.1	-164.6	-176.2	-94.7	0	0	0	114.2	P452 W477 G479	P452-Y475 HydrophobicContact CB-CG 4.23Å; P452-Y475 WeakPolarHBondContact O-CB 3.28Å; P452-Y475 PolarHBondContact O-N 2.87Å; Y475-W477 PolarHBondContact O-N 3.48Å; Y475-G479 VanDerWaalsContact O-CA 3.3Å; Y475-G479 WeakPolarHBondContact O-CA 3.2Å; Y475-G479 PolarHBondContact O-N 3.35Å
476	Y	98	Very high	96.5	Very high	89 Å²	89	47.8 Å²	47.8	35%	0.349	24%	0.241	S	C	.	.	H	α-helix	trans	-76.3	9.4	-175.3	-61.8	-69.5	0	0	0	114.6	G411 I413 S414 S415 P452 W474	G411-Y476 WeakPolarHBondContact CA-O 3.47Å; I413-Y476 HydrophobicContact CB-CD1 4.1Å; I413-Y476 HydrophobicContact CB-CD2 3.97Å; I413-Y476 HydrophobicContact CB-CE1 3.99Å; I413-Y476 HydrophobicContact CB-CE2 3.86Å; I413-Y476 HydrophobicContact CB-CG 4.1Å; I413-Y476 HydrophobicContact CD1-CE1 4.04Å; I413-Y476 HydrophobicContact CG2-CD2 4.16Å; I413-Y476 HydrophobicContact CG2-CE1 4.2Å; I413-Y476 HydrophobicContact CG2-CE2 3.57Å; I413-Y476 WeakPolarHBondContact O-CD2 3.45Å; S414-Y476 WeakPolarHBondContact O-CE2 3.34Å; S415-Y476 WeakPolarHBondContact OG-CD2 3.23Å; S415-Y476 PolarHBondContact OG-N 2.86Å; P452-Y476 HydrophobicContact CB-CE2 4.12Å; P452-Y476 HydrophobicContact CG-CE2 4.15Å; W474-Y476 PolarHBondContact O-N 2.91Å
477	W	98.3	Very high	96.7	Very high	61 Å²	61	44.4 Å²	44.4	23%	0.231	22%	0.22	C	C	.	.	H	α-helix	trans	-118.5	-50.1	167.1	-175.6	41.6	0	0	0	113.7	L375 D377 N381 A383 A410 W474 Y475 L484	L375-W477 HydrophobicContact CB-CE3 3.76Å; L375-W477 HydrophobicContact CB-CH2 4.3Å; L375-W477 HydrophobicContact CB-CZ3 3.42Å; L375-W477 VanDerWaalsContact CB-CZ3 3.42Å; L375-W477 HydrophobicContact CD1-CE3 3.92Å; L375-W477 HydrophobicContact CD1-CZ3 4.45Å; D377-W477 HydrophobicContact CB-CH2 3.85Å; D377-W477 HydrophobicContact CB-CZ2 4.43Å; D377-W477 HydrophobicContact CB-CZ3 4.34Å; N381-W477 HydrophobicContact CB-CZ2 4.23Å; N381-W477 WeakPolarHBondContact O-CH2 3.31Å; A383-W477 HydrophobicContact CB-CD2 3.76Å; A383-W477 HydrophobicContact CB-CE3 4.31Å; A383-W477 HydrophobicContact CB-CG 4.19Å; A383-W477 HydrophobicContact CB-CH2 4.2Å; A383-W477 HydrophobicContact CB-CZ2 3.63Å; A410-W477 HydrophobicContact CB-CB 4.17Å; A410-W477 HydrophobicContact CB-CG 4.35Å; W474-W477 PolarHBondContact O-N 2.9Å; Y475-W477 PolarHBondContact O-N 3.48Å; W477-L484 HydrophobicContact CE3-CD1 4.5Å; W477-L484 HydrophobicContact CE3-CD2 3.78Å; W477-L484 HydrophobicContact CZ3-CD1 4.42Å; W477-L484 HydrophobicContact CZ3-CD2 3.51Å
478	K	97.4	Very high	96.9	Very high	54 Å²	54	38.5 Å²	38.5	24%	0.235	19%	0.19	C	C	.	.	H	α-helix	trans	-122.9	6	-174.3	-58.7	-72.4	-70.5	-165	0	114.5	D377 E379 W474 Y482 L484	D377-K478 HydrophobicContact CB-CD 4.31Å; D377-K478 IonicContact OD2-NZ 2.84Å; D377-K478 PolarHBondContact OD2-NZ 3.39Å; E379-K478 IonicContact OE2-NZ 2.71Å; E379-K478 PolarHBondContact OE2-NZ 2.96Å; W474-K478 PolarHBondContact O-N 3.38Å; W474-K478 VanDerWaalsContact O-N 3.16Å; K478-Y482 HydrophobicContact CB-CD1 3.74Å; K478-Y482 HydrophobicContact CB-CG 3.8Å; K478-Y482 VanDerWaalsContact CE-CZ 3.43Å; K478-Y482 HydrophobicContact CG-CD1 4.04Å; K478-Y482 HydrophobicContact CG-CE1 4.34Å; K478-Y482 HydrophobicContact CG-CG 4.46Å; K478-Y482 VanDerWaalsContact O-CB 3.31Å; K478-Y482 WeakPolarHBondContact O-CB 3.5Å; K478-L484 HydrophobicContact CB-CD2 4.45Å; K478-L484 HydrophobicContact CG-CD2 3.87Å
479	G	94.9	Very high	97.1	Very high	24 Å²	24	36.1 Å²	36.1	25%	0.247	18%	0.179	C	C	.	.			trans	81.3	-175	-179.2	0	0	0	0	0	114.5	Y475	Y475-G479 VanDerWaalsContact O-CA 3.3Å; Y475-G479 WeakPolarHBondContact O-CA 3.2Å; Y475-G479 PolarHBondContact O-N 3.35Å
480	S	89.6	Confident	97.3	Very high	75 Å²	75	30.5 Å²	30.5	52%	0.524	16%	0.155	S	C	.	.	S	Bend	trans	-80	-23.2	-170.8	46.8	0	0	0	0	115.3
481	G	92	Very high	97.4	Very high	21 Å²	21	29.6 Å²	29.6	22%	0.216	15%	0.15	C	C	.	.	S	Bend	trans	-109.6	6.2	-172.6	0	0	0	0	0	115.1	T466 N467 K468	T466-G481 CarbonylContact C-O 3.55Å; N467-G481 WeakPolarHBondContact CA-O 3.25Å; N467-G481 PolarHBondContact N-O 3.2Å; K468-G481 PolarHBondContact N-O 3.44Å
482	Y	97.6	Very high	97.4	Very high	22 Å²	22	31.6 Å²	31.6	9%	0.086	16%	0.157	C	C	.	.	B	Isolated β-bridge	trans	-102.7	117	-178.8	-170.5	-74.6	0	0	0	110.1	D377 W378 E379 N465 T466 K478 L484	D377-Y482 HydrophobicContact CB-CE1 3.98Å; D377-Y482 WeakPolarHBondContact CB-OH 3.47Å; W378-Y482 WeakPolarHBondContact CB-OH 3.41Å; W378-Y482 PolarHBondContact N-OH 3.19Å; E379-Y482 PolarHBondContact OE1-OH 2.93Å; E379-Y482 PolarHBondContact OE2-OH 3.26Å; E379-Y482 VanDerWaalsContact OE2-OH 3.11Å; N465-Y482 WeakPolarHBondContact ND2-CE2 3.46Å; N465-Y482 VanDerWaalsContact ND2-CZ 3.33Å; N465-Y482 PolarHBondContact ND2-OH 2.98Å; T466-Y482 HydrophobicContact CG2-CD2 4.36Å; K478-Y482 HydrophobicContact CB-CD1 3.74Å; K478-Y482 HydrophobicContact CB-CG 3.8Å; K478-Y482 VanDerWaalsContact CE-CZ 3.43Å; K478-Y482 HydrophobicContact CG-CD1 4.04Å; K478-Y482 HydrophobicContact CG-CE1 4.34Å; K478-Y482 HydrophobicContact CG-CG 4.46Å; K478-Y482 VanDerWaalsContact O-CB 3.31Å; K478-Y482 WeakPolarHBondContact O-CB 3.5Å; Y482-L484 HydrophobicContact CD1-CD2 4.04Å; Y482-L484 HydrophobicContact CE1-CD2 4.07Å
483	S	98.4	Very high	97.4	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.16	C	C	.	.	P	Polyproline II helix	trans	-81.9	128	169.5	-168.6	0	0	0	0	110.1	W378 N465 I472	W378-S483 VanDerWaalsContact CD1-O 3.29Å; W378-S483 PolarHBondContact NE1-O 3.3Å; N465-S483 PolarHBondContact O-N 3.37Å; I472-S483 PolarHBondContact N-OG 3.3Å; I472-S483 VanDerWaalsContact N-OG 3.13Å; I472-S483 CarbonylContact O-C 3.58Å; I472-S483 WeakPolarHBondContact O-CA 3.46Å
484	L	98.5	Very high	97.3	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-70.2	166	177.3	-63	178.1	0	0	0	112.2	L375 W378 I472 W474 W477 K478 Y482 T487	L375-L484 HydrophobicContact CB-CD1 4.07Å; L375-L484 HydrophobicContact CD1-CD1 4.24Å; L375-L484 HydrophobicContact CD2-CD1 3.73Å; L375-L484 HydrophobicContact CG-CD1 4.24Å; W378-L484 PolarHBondContact NE1-O 3.46Å; I472-L484 HydrophobicContact CG2-CB 4.04Å; I472-L484 WeakPolarHBondContact O-CG 3.49Å; I472-L484 PolarHBondContact O-N 2.85Å; W474-L484 HydrophobicContact CB-CD1 4.13Å; W477-L484 HydrophobicContact CE3-CD1 4.5Å; W477-L484 HydrophobicContact CE3-CD2 3.78Å; W477-L484 HydrophobicContact CZ3-CD1 4.42Å; W477-L484 HydrophobicContact CZ3-CD2 3.51Å; K478-L484 HydrophobicContact CB-CD2 4.45Å; K478-L484 HydrophobicContact CG-CD2 3.87Å; Y482-L484 HydrophobicContact CD1-CD2 4.04Å; Y482-L484 HydrophobicContact CE1-CD2 4.07Å; L484-T487 HydrophobicContact CB-CG2 4.18Å; L484-T487 HydrophobicContact CD1-CG2 3.83Å
485	K	98.4	Very high	97.1	Very high	97 Å²	97	38.9 Å²	38.9	42%	0.422	21%	0.205	S	C	.	.	S	Bend	trans	-91.1	-43.7	176.8	-179.4	-176.6	175.1	-171.4	0	111.7	K376 D377 W378 Y459	K376-K485 PolarHBondContact O-N 2.9Å; D377-K485 WeakPolarHBondContact O-CB 3.41Å; W378-K485 HydrophobicContact CD2-CB 3.74Å; W378-K485 HydrophobicContact CD2-CD 4.3Å; W378-K485 HydrophobicContact CD2-CG 3.94Å; W378-K485 HydrophobicContact CE3-CB 4.17Å; W378-K485 HydrophobicContact CE3-CD 3.9Å; W378-K485 HydrophobicContact CE3-CG 3.85Å; W378-K485 HydrophobicContact CG-CB 4.03Å; W378-K485 HydrophobicContact CH2-CB 4.48Å; W378-K485 HydrophobicContact CH2-CG 3.92Å; W378-K485 HydrophobicContact CZ2-CB 4.06Å; W378-K485 HydrophobicContact CZ2-CG 3.99Å; W378-K485 HydrophobicContact CZ3-CD 4.09Å; W378-K485 HydrophobicContact CZ3-CG 3.85Å; Y459-K485 WeakPolarHBondContact CE2-O 3.39Å; Y459-K485 PolarHBondContact OH-O 2.89Å; Y459-K485 VanDerWaalsContact OH-O 3.1Å
486	A	98.6	Very high	96.8	Very high	16 Å²	16	37.2 Å²	37.2	13%	0.132	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	147.9	177.8	0	0	0	0	0	110.9	R328 E329 K376	R328-A486 CarbonylContact O-C 3.49Å; R328-A486 WeakPolarHBondContact O-CA 3.37Å; R328-A486 WeakPolarHBondContact O-CB 3.31Å; E329-A486 HydrophobicContact CB-CB 4.31Å; K376-A486 HydrophobicContact CB-CB 4.14Å; K376-A486 HydrophobicContact CG-CB 4.32Å; K376-A486 PolarHBondContact N-O 3.11Å; K376-A486 PolarHBondContact O-N 3.03Å
487	T	98.8	Very high	96.8	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.006	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	140.5	176.2	68.9	0	0	0	0	109.7	Q326 R327 R328 H374 L375 L455 I472 L484	Q326-T487 PolarHBondContact NE2-OG1 2.88Å; Q326-T487 PolarHBondContact OE1-O 3.39Å; Q326-T487 PolarHBondContact OE1-OG1 2.97Å; R327-T487 CarbonylContact C-O 3.57Å; R327-T487 WeakPolarHBondContact CA-O 3.34Å; R328-T487 WeakPolarHBondContact CB-OG1 3.32Å; R328-T487 VanDerWaalsContact CG-OG1 3.24Å; R328-T487 WeakPolarHBondContact CG-OG1 3.4Å; R328-T487 PolarHBondContact N-O 3.3Å; R328-T487 PolarHBondContact O-N 2.85Å; H374-T487 CarbonylContact O-C 3.59Å; H374-T487 WeakPolarHBondContact O-CA 3.4Å; L375-T487 HydrophobicContact CD2-CG2 3.74Å; L455-T487 HydrophobicContact CD2-CG2 4.13Å; I472-T487 HydrophobicContact CG2-CG2 3.51Å; L484-T487 HydrophobicContact CB-CG2 4.18Å; L484-T487 HydrophobicContact CD1-CG2 3.83Å
488	T	98.7	Very high	96.7	Very high	24 Å²	24	33.2 Å²	33.2	15%	0.147	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	119.4	172.7	-46.2	0	0	0	0	108.8	I324 Q326 I373 H374 M490	I324-T488 HydrophobicContact CB-CG2 4.44Å; I324-T488 HydrophobicContact CD1-CG2 3.7Å; I324-T488 HydrophobicContact CG1-CG2 3.87Å; I324-T488 HydrophobicContact CG2-CG2 3.8Å; Q326-T488 CarbonylContact O-C 3.57Å; Q326-T488 WeakPolarHBondContact O-CA 3.45Å; I373-T488 CarbonylContact C-O 3.5Å; I373-T488 WeakPolarHBondContact CA-O 3.49Å; H374-T488 PolarHBondContact N-O 3.44Å; H374-T488 PolarHBondContact O-N 3.3Å; T488-M490 HydrophobicContact CG2-CE 3.64Å
489	M	98.8	Very high	96.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	126.6	166.9	-57	179.5	66.3	0	0	108.2	I325 Q326 W354 L371 I373 W445 W446 L455	I325-M489 HydrophobicContact CD1-CB 4.23Å; I325-M489 HydrophobicContact CD1-CE 4.37Å; I325-M489 HydrophobicContact CG1-CB 3.66Å; I325-M489 WeakPolarHBondContact CG1-O 3.42Å; I325-M489 PolarHBondContact N-O 3.17Å; Q326-M489 HydrophobicContact CB-CB 3.9Å; Q326-M489 HydrophobicContact CB-CG 3.99Å; Q326-M489 HydrophobicContact CB-SD 4.03Å; Q326-M489 PolarHBondContact N-O 3.46Å; Q326-M489 PolarHBondContact O-N 3.01Å; W354-M489 HydrophobicContact CZ3-SD 4.28Å; L371-M489 HydrophobicContact CD1-CB 4.27Å; L371-M489 HydrophobicContact CD1-CE 4.22Å; L371-M489 HydrophobicContact CD2-CE 4.14Å; I373-M489 HydrophobicContact CD1-CE 4.14Å; I373-M489 HydrophobicContact CG1-CE 4.45Å; I373-M489 HydrophobicContact CG1-CG 4.25Å; I373-M489 HydrophobicContact CG2-CG 4.43Å; W445-M489 HydrophobicContact CH2-CE 4.06Å; W445-M489 HydrophobicContact CH2-SD 3.65Å; W445-M489 HydrophobicContact CZ3-CE 4.49Å; W445-M489 HydrophobicContact CZ3-SD 3.81Å; W446-M489 HydrophobicContact CH2-CE 4.43Å; W446-M489 HydrophobicContact CZ3-CE 4.13Å; L455-M489 HydrophobicContact CD1-CG 4Å; L455-M489 HydrophobicContact CD1-SD 4.07Å
490	M	98.6	Very high	96.7	Very high	6 Å²	6	32.5 Å²	32.5	3%	0.03	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	144	-176.7	60.5	177.3	59.3	0	0	111.4	D314 W322 T323 I324 K372 T488	D314-M490 HydrophobicContact CB-CE 4.48Å; W322-M490 HydrophobicContact CB-CB 4.18Å; W322-M490 HydrophobicContact CB-CG 4.35Å; W322-M490 HydrophobicContact CB-SD 3.88Å; W322-M490 HydrophobicContact CD2-CG 4.08Å; W322-M490 HydrophobicContact CD2-SD 3.69Å; W322-M490 HydrophobicContact CE3-CB 4.17Å; W322-M490 HydrophobicContact CE3-CG 3.67Å; W322-M490 HydrophobicContact CE3-SD 3.93Å; W322-M490 HydrophobicContact CG-CG 4.38Å; W322-M490 HydrophobicContact CG-SD 3.66Å; W322-M490 HydrophobicContact CZ3-CG 4.34Å; T323-M490 CarbonylContact O-C 3.58Å; T323-M490 VanDerWaalsContact O-CA 3.25Å; T323-M490 WeakPolarHBondContact O-CA 3.49Å; I324-M490 HydrophobicContact CG1-CB 4.21Å; I324-M490 HydrophobicContact CG1-CE 4.41Å; K372-M490 HydrophobicContact CB-CG 3.86Å; K372-M490 HydrophobicContact CB-SD 4.42Å; K372-M490 HydrophobicContact CD-CG 4.36Å; K372-M490 HydrophobicContact CD-SD 3.83Å; K372-M490 HydrophobicContact CG-CG 4.28Å; K372-M490 HydrophobicContact CG-SD 4.3Å; K372-M490 PolarHBondContact N-O 2.79Å; K372-M490 WeakPolarHBondContact O-CG 3.49Å; K372-M490 PolarHBondContact O-N 3.03Å; T488-M490 HydrophobicContact CG2-CE 3.64Å
491	I	98.6	Very high	97.2	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	150	-178.6	64.2	177.1	0	0	0	111.7	T323 I325 L363 T364 Y369 V370 L371 F390	T323-I491 PolarHBondContact N-O 3.28Å; T323-I491 PolarHBondContact O-N 3.46Å; I325-I491 HydrophobicContact CD1-CG2 4.08Å; I325-I491 HydrophobicContact CG2-CD1 3.84Å; I325-I491 HydrophobicContact CG2-CG1 3.85Å; I325-I491 HydrophobicContact CG2-CG2 4.34Å; L363-I491 HydrophobicContact CD2-CD1 4.06Å; T364-I491 HydrophobicContact CG2-CD1 3.89Å; Y369-I491 HydrophobicContact CD1-CB 4.05Å; Y369-I491 HydrophobicContact CD1-CD1 4.08Å; Y369-I491 HydrophobicContact CD1-CG1 4.09Å; Y369-I491 HydrophobicContact CE1-CD1 4.46Å; Y369-I491 HydrophobicContact CG-CD1 4.49Å; V370-I491 VanDerWaalsContact O-CA 3.31Å; V370-I491 WeakPolarHBondContact O-CA 3.38Å; L371-I491 HydrophobicContact CB-CG2 4.34Å; L371-I491 HydrophobicContact CD1-CG2 3.85Å; F390-I491 HydrophobicContact CD1-CG2 3.69Å; F390-I491 HydrophobicContact CE1-CG2 3.73Å
492	R	97.8	Very high	97.5	Very high	42 Å²	42	30.5 Å²	30.5	16%	0.158	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	149.5	175.2	-168.2	171.3	78.6	-173.8	4.2	109.2	A285 G318 G320 G321 W322 Y369 V370 F496	A285-R492 HydrophobicContact CB-CG 4.42Å; G318-R492 PolarHBondContact O-NH1 3.37Å; G320-R492 WeakPolarHBondContact O-CD 3.34Å; G320-R492 PolarHBondContact O-NH1 3.35Å; G321-R492 WeakPolarHBondContact O-CG 3.45Å; W322-R492 HydrophobicContact CD2-CB 3.98Å; W322-R492 HydrophobicContact CE3-CB 3.56Å; W322-R492 HydrophobicContact CH2-CB 4.21Å; W322-R492 HydrophobicContact CZ3-CB 3.7Å; Y369-R492 CarbonylContact C-O 3.55Å; Y369-R492 WeakPolarHBondContact CA-O 3.26Å; Y369-R492 WeakPolarHBondContact CD1-O 3.27Å; V370-R492 HydrophobicContact CG2-CB 4.31Å; V370-R492 WeakPolarHBondContact CG2-O 3.47Å; V370-R492 PolarHBondContact N-O 3.23Å; V370-R492 PolarHBondContact O-N 2.89Å; R492-F496 VanDerWaalsContact CD-CG 3.49Å; R492-F496 HydrophobicContact CG-CB 3.89Å; R492-F496 HydrophobicContact CG-CD1 4.4Å; R492-F496 HydrophobicContact CG-CD2 3.94Å; R492-F496 HydrophobicContact CG-CG 3.81Å; R492-F496 VanDerWaalsContact CZ-CD1 3.43Å; R492-F496 VanDerWaalsContact NE-CD1 3.33Å
493	P	97.5	Very high	97.5	Very high	8 Å²	8	31.1 Å²	31.1	5%	0.052	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.6	146.6	172.7	-25.4	36.2	0	0	0	111.5	D283 A285 Y369 D495 F496	D283-P493 VanDerWaalsContact OD2-CG 3.29Å; D283-P493 WeakPolarHBondContact OD2-CG 3.27Å; A285-P493 HydrophobicContact CB-CG 3.89Å; Y369-P493 HydrophobicContact CD1-CG 4.37Å; Y369-P493 HydrophobicContact CE1-CG 3.79Å; P493-D495 WeakPolarHBondContact CB-OD1 3.46Å; P493-D495 PolarHBondContact O-N 3.4Å; P493-F496 WeakPolarHBondContact O-CB 3.35Å; P493-F496 PolarHBondContact O-N 2.72Å
494	A	96.4	Very high	97.5	Very high	48 Å²	48	33.5 Å²	33.5	40%	0.397	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-11	-179.4	0	0	0	0	0	113.6	R368 V370	R368-A494 HydrophobicContact CB-CB 4.4Å; R368-A494 HydrophobicContact CG-CB 3.87Å; R368-A494 WeakPolarHBondContact O-CB 3.4Å; R368-A494 PolarHBondContact O-N 3.49Å; V370-A494 HydrophobicContact CG1-CB 4.05Å
495	D	94.7	Very high	97.4	Very high	118 Å²	118	36.3 Å²	36.3	63%	0.631	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110.5	24.2	177.8	63.7	-31	0	0	0	112.4	P493	P493-D495 WeakPolarHBondContact CB-OD1 3.46Å; P493-D495 PolarHBondContact O-N 3.4Å
496	F	91.8	Very high	97.3	Very high	75 Å²	75	30.7 Å²	30.7	33%	0.329	17%	0.171	S	C	.	.			trans	-63.3	0	-179.2	178.2	-99.5	0	0	0	113.7	A285 F288 K289 G319 R492 P493	A285-F496 HydrophobicContact CB-CD2 3.48Å; A285-F496 VanDerWaalsContact CB-CD2 3.48Å; A285-F496 HydrophobicContact CB-CE2 3.67Å; F288-F496 HydrophobicContact CB-CE2 4.44Å; F288-F496 HydrophobicContact CB-CZ 4.46Å; F288-F496 HydrophobicContact CD1-CE2 4.22Å; F288-F496 AromaticContact CD1-CZ 3.64Å; F288-F496 HydrophobicContact CD1-CZ 3.64Å; F288-F496 HydrophobicContact CE1-CZ 4.1Å; F288-F496 HydrophobicContact CG-CZ 4.15Å; K289-F496 WeakPolarHBondContact CE-OXT 3.49Å; K289-F496 HydrophobicContact CG-CE2 4.48Å; K289-F496 PolarHBondContact NZ-OXT 2.82Å; G319-F496 WeakPolarHBondContact O-CE1 3.5Å; R492-F496 VanDerWaalsContact CD-CG 3.49Å; R492-F496 HydrophobicContact CG-CB 3.89Å; R492-F496 HydrophobicContact CG-CD1 4.4Å; R492-F496 HydrophobicContact CG-CD2 3.94Å; R492-F496 HydrophobicContact CG-CG 3.81Å; R492-F496 VanDerWaalsContact CZ-CD1 3.43Å; R492-F496 VanDerWaalsContact NE-CD1 3.33Å; P493-F496 WeakPolarHBondContact O-CB 3.35Å; P493-F496 PolarHBondContact O-N 2.72Å

Retrieved 496 of 496 residues in 455 ms (Link to these results)

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