A0A077ZKX1_TRITR Loading...

Y phosphatase domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZKX1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 522 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	38.9	Very low	38.2	Very low	239 Å²	239	143.7 Å²	143.7	100%	1.177	85%	0.85	S	S	*	*				0	129.2	0	-77	-172.4	173.7	0	0	108.1
2	N	38	Very low	38.4	Very low	167 Å²	167	144.3 Å²	144.3	89%	0.893	85%	0.845	S	S	*	*			trans	69.5	93.9	175.2	-61.6	-0.7	0	0	0	117.3
3	G	32.4	Very low	38.6	Very low	77 Å²	77	139.4 Å²	139.4	79%	0.794	82%	0.82	S	S	*	*			trans	-82.7	158.4	168.4	0	0	0	0	0	113
4	I	44.5	Very low	38.7	Very low	169 Å²	169	137.5 Å²	137.5	87%	0.867	81%	0.814	S	S	*	*			trans	-129.2	100.5	165.2	-61.4	177.9	0	0	0	105.2
5	E	33.4	Very low	38.6	Very low	198 Å²	198	135.8 Å²	135.8	93%	0.925	81%	0.808	S	S	*	*			trans	-73.9	117.7	168.5	-80.1	177.2	145.6	0	0	108.8
6	G	37.4	Very low	38.9	Very low	67 Å²	67	133.8 Å²	133.8	69%	0.691	79%	0.79	S	S	*	*			trans	-101.3	110.3	168.7	0	0	0	0	0	109.6	V8	G6-V8 PolarHBondContact O-N 3.36Å
7	T	37.4	Very low	38.7	Very low	145 Å²	145	133.9 Å²	133.9	89%	0.89	79%	0.786	S	S	*	*			trans	-57.7	122.9	174.3	23.9	0	0	0	0	111.9
8	V	42.9	Very low	38.4	Very low	124 Å²	124	133.3 Å²	133.3	75%	0.752	79%	0.786	S	S	*	*			trans	-86.5	133	173.7	178.8	0	0	0	0	108.9	G6 T10	G6-V8 PolarHBondContact O-N 3.36Å; V8-T10 PolarHBondContact O-N 2.99Å
9	P	38.2	Very low	38.4	Very low	121 Å²	121	134.8 Å²	134.8	79%	0.786	79%	0.789	S	S	*	*			trans	-69.9	115.6	173.8	-10.6	25.7	0	0	0	110.2	D11	P9-D11 PolarHBondContact O-N 3.02Å
10	T	36.9	Very low	37.9	Very low	137 Å²	137	133.5 Å²	133.5	84%	0.84	79%	0.787	S	S	*	*			trans	-73.6	97.1	169.6	43.5	0	0	0	0	110	V8	V8-T10 PolarHBondContact O-N 2.99Å
11	D	40.8	Very low	37.8	Very low	137 Å²	137	130 Å²	130	73%	0.733	77%	0.77	S	S	*	*			trans	-164.4	65	160	-126.1	11.9	0	0	0	109.9	P9 K231	P9-D11 PolarHBondContact O-N 3.02Å; D11-K231 IonicContact OD2-NZ 3.84Å
12	L	40	Very low	37.4	Very low	151 Å²	151	125 Å²	125	79%	0.791	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-92.4	130.6	168.2	-89.1	156.5	0	0	0	108.4
13	P	41.6	Very low	37.1	Very low	80 Å²	80	123 Å²	123	52%	0.519	75%	0.746	S	S	.	*	P	Polyproline II helix	trans	-63.1	150.4	171.1	27.6	-32.4	0	0	0	110.3
14	P	39.7	Very low	36.9	Very low	113 Å²	113	123.9 Å²	123.9	73%	0.734	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-62.6	152.7	-178.2	27	-33.5	0	0	0	111.1
15	P	37.2	Very low	36.2	Very low	112 Å²	112	121.8 Å²	121.8	73%	0.727	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-61.7	138.9	178.6	26.2	-32.7	0	0	0	110.5	L17	P15-L17 PolarHBondContact O-N 3.14Å
16	I	43.1	Very low	36	Very low	103 Å²	103	117.1 Å²	117.1	53%	0.528	74%	0.736	S	S	.	*			trans	-66.9	100.4	175.6	-57.5	170.4	0	0	0	108
17	L	35.6	Very low	35.7	Very low	136 Å²	136	123.1 Å²	123.1	71%	0.712	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-77.2	141.9	164.9	-66.3	177	0	0	0	108.8	P15 I19	P15-L17 PolarHBondContact O-N 3.14Å; L17-I19 PolarHBondContact O-N 3.27Å
18	P	32.9	Very low	35.4	Very low	123 Å²	123	121.7 Å²	121.7	80%	0.799	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-61.8	124.1	174.2	26	-30.9	0	0	0	108.9	S20	P18-S20 PolarHBondContact O-N 3.44Å
19	I	37.9	Very low	34.9	Very low	163 Å²	163	123.5 Å²	123.5	84%	0.836	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-73.1	116	177	-55.2	171.1	0	0	0	107.2	L17 S21	L17-I19 PolarHBondContact O-N 3.27Å; I19-S21 PolarHBondContact O-N 3.26Å
20	S	30.2	Very low	34.6	Very low	107 Å²	107	123.3 Å²	123.3	75%	0.748	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-68.9	117.8	166.8	-171.1	0	0	0	0	108.6	P18 T22	P18-S20 PolarHBondContact O-N 3.44Å; S20-T22 PolarHBondContact O-N 3.46Å
21	S	35.2	Very low	34.5	Very low	62 Å²	62	122.5 Å²	122.5	43%	0.434	75%	0.746	S	S	.	*			trans	-80.8	99.7	-178.9	53.4	0	0	0	0	111.4	I19	I19-S21 PolarHBondContact O-N 3.26Å
22	T	29.4	Very low	34.1	Very low	134 Å²	134	121 Å²	121	82%	0.822	75%	0.747	S	S	*	*			trans	-111.2	96.1	157.3	-42.8	0	0	0	0	107.9	S20	S20-T22 PolarHBondContact O-N 3.46Å
23	V	32.6	Very low	33.8	Very low	123 Å²	123	123.3 Å²	123.3	75%	0.745	75%	0.753	S	S	*	*			trans	-95.8	109.5	170.2	177.5	0	0	0	0	108	V25	V23-V25 HydrophobicContact CG1-CG2 4.41Å
24	A	27.9	Very low	33.2	Very low	96 Å²	96	124.6 Å²	124.6	79%	0.793	77%	0.771	S	S	*	*			trans	-78.2	117.6	165.1	0	0	0	0	0	108.8
25	V	30.2	Very low	32.9	Very low	126 Å²	126	123.1 Å²	123.1	76%	0.764	78%	0.776	S	S	*	*			trans	-87.9	110.7	172.5	175.5	0	0	0	0	108.1	V23	V23-V25 HydrophobicContact CG1-CG2 4.41Å
26	A	29.3	Very low	32.7	Very low	99 Å²	99	127.2 Å²	127.2	82%	0.818	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-82.3	117.5	165.6	0	0	0	0	0	108.9
27	K	31.4	Very low	32.2	Very low	193 Å²	193	127.8 Å²	127.8	84%	0.839	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-72.9	130.3	169.2	-74.7	177.9	174.9	177.5	0	109.3
28	S	31	Very low	32.1	Very low	115 Å²	115	130.8 Å²	130.8	80%	0.804	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-87.4	118.7	164.6	53	0	0	0	0	109.4
29	D	32.4	Very low	32	Very low	163 Å²	163	132.8 Å²	132.8	87%	0.872	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-91.2	131.5	160.5	-80.7	-29.2	0	0	0	109.2
30	S	30.8	Very low	31.8	Very low	116 Å²	116	132.8 Å²	132.8	81%	0.811	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-82.7	131.8	177.6	52.2	0	0	0	0	111.5
31	S	36.2	Very low	31.7	Very low	120 Å²	120	132.8 Å²	132.8	84%	0.839	80%	0.8	S	S	*	*			trans	-153.4	126.7	146.4	56.9	0	0	0	0	110.4
32	S	30.6	Very low	31.5	Very low	107 Å²	107	139.2 Å²	139.2	75%	0.748	82%	0.82	S	S	*	*			trans	-52.8	145.5	174.9	48.8	0	0	0	0	115
33	E	34.6	Very low	31.4	Very low	198 Å²	198	141.4 Å²	141.4	93%	0.925	82%	0.818	S	S	*	*				-172.5	153.4	118.1	-104.7	177.3	-179.9	0	0	112.3
34	A	30.1	Very low	31.3	Very low	108 Å²	108	142.4 Å²	142.4	89%	0.893	82%	0.824	S	S	*	*			trans	-82.8	160	-163.1	0	0	0	0	0	114.8
35	G	33.5	Very low	31.2	Very low	81 Å²	81	142.9 Å²	142.9	84%	0.835	82%	0.817	S	S	*	*			trans	174.4	109.6	167.1	0	0	0	0	0	112.6
36	E	32.9	Very low	31.1	Very low	199 Å²	199	142.7 Å²	142.7	93%	0.93	82%	0.82	S	S	*	*			trans	-66.1	169.5	-174.4	-95.2	-173.6	151.2	0	0	116.7
37	P	31.7	Very low	31.1	Very low	114 Å²	114	147 Å²	147	74%	0.74	82%	0.821	S	S	*	*			trans	-104.3	158.7	-157.6	39.3	-31.9	0	0	0	114.8
38	E	34.4	Very low	30.9	Very low	199 Å²	199	145 Å²	145	93%	0.93	82%	0.819	S	S	*	*			trans	-129.5	138.2	162	-79.6	-158.2	157.3	0	0	113.8
39	H	30.3	Very low	30.8	Very low	165 Å²	165	147 Å²	147	76%	0.764	82%	0.821	S	S	*	*			trans	-51.9	151.9	177.2	-84.9	-102.2	0	0	0	115.1
40	I	33.2	Very low	30.6	Very low	164 Å²	164	147.9 Å²	147.9	84%	0.841	82%	0.82	S	S	*	*				-155.2	116.1	127.1	-91	139.2	0	0	0	109.3
41	V	27.7	Very low	30.5	Very low	107 Å²	107	149 Å²	149	65%	0.648	82%	0.822	S	S	*	*			trans	-93.5	133.9	169.9	169	0	0	0	0	108	K43	V41-K43 HydrophobicContact CG1-CG 4.39Å
42	K	32	Very low	30	Very low	197 Å²	197	151.6 Å²	151.6	86%	0.857	82%	0.823	S	S	*	*			trans	-122.3	105.2	157.1	-79.9	-173.7	178.4	177.4	0	109.8
43	K	26.4	Very low	29.9	Very low	179 Å²	179	151.6 Å²	151.6	78%	0.778	82%	0.823	S	S	*	*			trans	-70.2	143.7	162	-84.5	176.3	172.5	173.9	0	109.2	V41	V41-K43 HydrophobicContact CG1-CG 4.39Å
44	T	31.1	Very low	29.7	Very low	144 Å²	144	151.3 Å²	151.3	88%	0.883	82%	0.819	S	S	*	*			trans	-132.1	127.9	150.1	-54.4	0	0	0	0	108.9
45	V	25.2	Very low	29.4	Very low	106 Å²	106	152.5 Å²	152.5	64%	0.642	82%	0.815	S	S	*	*			trans	-93.7	145.5	-174.7	167.6	0	0	0	0	108.5
46	C	28.6	Very low	29.3	Very low	123 Å²	123	155.6 Å²	155.6	83%	0.831	82%	0.818	S	S	*	*			trans	-168.5	96.3	141.9	-98	0	0	0	0	107.6
47	K	30.3	Very low	29	Very low	190 Å²	190	150.9 Å²	150.9	83%	0.826	81%	0.813	S	S	*	*				72.9	98.1	97.3	-79.1	-170.5	176.8	-177.9	0	113.6
48	N	25.5	Very low	28.9	Very low	149 Å²	149	150.3 Å²	150.3	80%	0.797	82%	0.818	S	S	*	*			trans	-67.1	139.4	154.8	-81.7	-16.5	0	0	0	109.4
49	D	30.2	Very low	28.7	Very low	159 Å²	159	145.9 Å²	145.9	85%	0.85	81%	0.809	S	S	*	*			trans	-132	119.2	147	-91.8	-35.1	0	0	0	108.8
50	Q	27.1	Very low	28.7	Very low	180 Å²	180	146.2 Å²	146.2	84%	0.841	81%	0.808	S	S	*	*			trans	-81.6	137.5	167	-75.5	175.8	-2.9	0	0	108.2
51	T	29.4	Very low	28.7	Very low	140 Å²	140	146.6 Å²	146.6	86%	0.859	81%	0.812	S	S	*	*			trans	-145.2	114.1	152.8	-24.9	0	0	0	0	110.3
52	M	25.5	Very low	28.9	Very low	174 Å²	174	150.1 Å²	150.1	86%	0.857	82%	0.819	S	S	*	*			trans	-63.6	139.9	166.5	-74	-97.2	-98.5	0	0	110.5
53	S	28.7	Very low	28.8	Very low	107 Å²	107	150.7 Å²	150.7	75%	0.748	82%	0.821	S	S	*	*				175.4	130.3	123.2	39.8	0	0	0	0	114.9
54	K	29.4	Very low	29.1	Very low	193 Å²	193	146.2 Å²	146.2	84%	0.839	82%	0.817	S	S	*	*			trans	69.9	94.2	138.5	-68.5	178.2	177.4	178.4	0	120.2
55	T	25.4	Very low	29	Very low	133 Å²	133	148.7 Å²	148.7	82%	0.816	82%	0.816	S	S	*	*				20.8	116.3	115.4	-38.8	0	0	0	0	118.7
56	T	30	Very low	29.2	Very low	146 Å²	146	148.2 Å²	148.2	90%	0.896	82%	0.817	S	S	*	*			trans	-154.6	119	130.5	11.6	0	0	0	0	109.7
57	A	26.1	Very low	29.2	Very low	100 Å²	100	151.9 Å²	151.9	83%	0.826	82%	0.822	S	S	*	*			trans	-85.2	144.2	172.9	0	0	0	0	0	110.1
58	A	31.1	Very low	29.3	Very low	102 Å²	102	144.7 Å²	144.7	84%	0.843	80%	0.802	S	S	*	*			trans	-140.1	124.6	158.2	0	0	0	0	0	109.7
59	S	29.9	Very low	29.7	Very low	106 Å²	106	143.1 Å²	143.1	74%	0.741	80%	0.803	S	S	*	*			trans	-52.5	132.6	179.9	47.4	0	0	0	0	114.3
60	F	30.4	Very low	30.3	Very low	171 Å²	171	139.7 Å²	139.7	75%	0.75	79%	0.792	S	S	*	*				63.7	124.6	94.3	-91.7	-81.3	0	0	0	115.8	K62	F60-K62 HydrophobicContact CD1-CG 4.36Å; F60-K62 HydrophobicContact CE1-CG 4.5Å
61	D	31.9	Very low	30.9	Very low	173 Å²	173	137.1 Å²	137.1	93%	0.925	78%	0.78	S	S	*	*			trans	-144.7	132.8	134.1	-112.1	-29.5	0	0	0	112.2
62	K	32.3	Very low	31.3	Very low	180 Å²	180	137.7 Å²	137.7	78%	0.783	77%	0.773	S	S	*	*			trans	-96.9	148.6	-175.1	-92	178.2	173.9	174.4	0	110.7	F60	F60-K62 HydrophobicContact CD1-CG 4.36Å; F60-K62 HydrophobicContact CE1-CG 4.5Å
63	K	30.6	Very low	31.8	Very low	210 Å²	210	133.9 Å²	133.9	91%	0.913	76%	0.759	S	S	*	*			trans	-156.9	142.2	140.2	-138.1	170.2	-175.8	174.3	0	114.2
64	A	32.1	Very low	32.5	Very low	84 Å²	84	132.1 Å²	132.1	69%	0.694	74%	0.744	S	S	*	*			trans	81.6	104.5	161.3	0	0	0	0	0	117
65	K	30.1	Very low	33.2	Very low	196 Å²	196	124.1 Å²	124.1	85%	0.852	71%	0.711	S	S	*	*				92.2	96.9	86.4	-90.4	-174.7	174.3	-175.8	0	110.3
66	S	28	Very low	33.9	Very low	97 Å²	97	120.7 Å²	120.7	68%	0.678	69%	0.69	S	S	*	*				83.1	128	96.6	69.3	0	0	0	0	112.8
67	E	29.6	Very low	34.8	Very low	199 Å²	199	116.4 Å²	116.4	93%	0.93	67%	0.666	S	S	*	*			trans	94.4	107.4	177.7	-56.8	175.7	-174.3	0	0	115
68	G	33.2	Very low	35.6	Very low	40 Å²	40	114.2 Å²	114.2	41%	0.412	64%	0.64	S	S	.	*			trans	-179.2	23	179.2	0	0	0	0	0	116.4	S70	G68-S70 VanDerWaalsContact C-N 3.28Å; G68-S70 PolarHBondContact O-N 3.23Å
69	S	32.6	Very low	36.1	Very low	116 Å²	116	112.6 Å²	112.6	81%	0.811	62%	0.615	S	S	*	*	S	Bend	trans	-84.4	4.6	179.9	88.5	0	0	0	0	114.3	T73	S69-T73 PolarHBondContact O-OG1 3.31Å
70	S	43.4	Very low	36.5	Very low	87 Å²	87	113 Å²	113	61%	0.608	61%	0.605	S	S	*	*	S	Bend	trans	-104.7	-20.6	178	52.9	0	0	0	0	113.8	G68	G68-S70 VanDerWaalsContact C-N 3.28Å; G68-S70 PolarHBondContact O-N 3.23Å
71	E	39.9	Very low	36.9	Very low	126 Å²	126	107.8 Å²	107.8	59%	0.589	59%	0.587	S	S	*	*	H	α-helix	trans	-75.2	-31.7	-175.4	-70.5	-174.3	147.2	0	0	113.7
72	Q	36.5	Very low	37	Very low	152 Å²	152	100.2 Å²	100.2	71%	0.71	55%	0.547	S	S	*	.	H	α-helix	trans	-77.7	-35	176.6	-81.7	173.4	-4.7	0	0	111.7	T74 T76	Q72-T74 PolarHBondContact O-N 3.34Å; Q72-T76 WeakPolarHBondContact O-CB 3.24Å; Q72-T76 PolarHBondContact O-N 3.44Å; Q72-T76 PolarHBondContact O-OG1 2.8Å
73	T	37	Very low	37.2	Very low	93 Å²	93	94.5 Å²	94.5	57%	0.571	53%	0.534	S	S	*	.	H	α-helix	trans	-65.6	-40.3	-171.6	-42.9	0	0	0	0	113.2	S69 S77	S69-T73 PolarHBondContact O-OG1 3.31Å; T73-S77 WeakPolarHBondContact O-CB 3.18Å; T73-S77 PolarHBondContact O-N 3.33Å
74	T	43.4	Very low	37.4	Very low	71 Å²	71	89.5 Å²	89.5	44%	0.436	52%	0.517	S	S	.	.	H	α-helix	trans	-74.7	-43.2	-178.2	51.4	0	0	0	0	112.3	Q72 S77 L78	Q72-T74 PolarHBondContact O-N 3.34Å; T74-S77 PolarHBondContact O-N 3.31Å; T74-S77 PolarHBondContact O-OG 3.38Å; T74-L78 PolarHBondContact O-N 2.84Å; T74-L78 VanDerWaalsContact O-N 3.15Å
75	V	44.7	Very low	37.8	Very low	25 Å²	25	86.7 Å²	86.7	15%	0.152	49%	0.49	C	S	.	.	H	α-helix	trans	-67.2	-42.3	177.5	-178.6	0	0	0	0	110.7	S77 L78 Q79 V253	V75-S77 VanDerWaalsContact C-N 3.35Å; V75-S77 PolarHBondContact O-N 2.9Å; V75-L78 PolarHBondContact O-N 3.25Å; V75-Q79 HydrophobicContact CG1-CG 4.39Å; V75-Q79 WeakPolarHBondContact O-CB 2.94Å; V75-Q79 VanDerWaalsContact O-CG 3.25Å; V75-Q79 WeakPolarHBondContact O-CG 3.03Å; V75-Q79 PolarHBondContact O-N 3.46Å; V75-V253 HydrophobicContact CG1-CG1 3.89Å
76	T	39.3	Very low	38.2	Very low	61 Å²	61	79.9 Å²	79.9	37%	0.374	47%	0.465	S	S	.	.	H	α-helix	trans	-63	-40.6	173.7	-59.9	0	0	0	0	111	Q72 L78 Q79 Q80	Q72-T76 WeakPolarHBondContact O-CB 3.24Å; Q72-T76 PolarHBondContact O-N 3.44Å; Q72-T76 PolarHBondContact O-OG1 2.8Å; T76-L78 PolarHBondContact O-N 3.13Å; T76-Q79 PolarHBondContact O-N 3.2Å; T76-Q80 WeakPolarHBondContact O-CB 3.33Å; T76-Q80 PolarHBondContact O-N 2.99Å
77	S	48.3	Very low	38.4	Very low	55 Å²	55	81.6 Å²	81.6	39%	0.385	46%	0.462	S	S	.	.	H	α-helix	trans	-60.2	-43.3	177.3	76.4	0	0	0	0	112.7	T73 T74 V75 V81	T73-S77 WeakPolarHBondContact O-CB 3.18Å; T73-S77 PolarHBondContact O-N 3.33Å; T74-S77 PolarHBondContact O-N 3.31Å; T74-S77 PolarHBondContact O-OG 3.38Å; V75-S77 VanDerWaalsContact C-N 3.35Å; V75-S77 PolarHBondContact O-N 2.9Å; S77-V81 WeakPolarHBondContact O-CB 3.49Å; S77-V81 WeakPolarHBondContact O-CG2 3.47Å; S77-V81 PolarHBondContact O-N 3.39Å
78	L	44	Very low	38.7	Very low	54 Å²	54	75.2 Å²	75.2	28%	0.283	44%	0.439	S	S	.	.	H	α-helix	trans	-73.5	-31.6	177.2	-76.2	164	0	0	0	112.5	T74 V75 T76 T82	T74-L78 PolarHBondContact O-N 2.84Å; T74-L78 VanDerWaalsContact O-N 3.15Å; V75-L78 PolarHBondContact O-N 3.25Å; T76-L78 PolarHBondContact O-N 3.13Å; L78-T82 VanDerWaalsContact O-CB 3.3Å; L78-T82 WeakPolarHBondContact O-CB 3.41Å; L78-T82 VanDerWaalsContact O-CG2 3.27Å; L78-T82 WeakPolarHBondContact O-CG2 3.38Å; L78-T82 PolarHBondContact O-N 3.01Å; L78-T82 PolarHBondContact O-OG1 2.67Å
79	Q	41.6	Very low	38.8	Very low	69 Å²	69	78.4 Å²	78.4	32%	0.322	46%	0.455	S	S	.	.	H	α-helix	trans	-70.7	-39.2	175.1	-76.1	176.6	-28.7	0	0	112.7	V75 T76 T82 A83 V253 L265	V75-Q79 HydrophobicContact CG1-CG 4.39Å; V75-Q79 WeakPolarHBondContact O-CB 2.94Å; V75-Q79 VanDerWaalsContact O-CG 3.25Å; V75-Q79 WeakPolarHBondContact O-CG 3.03Å; V75-Q79 PolarHBondContact O-N 3.46Å; T76-Q79 PolarHBondContact O-N 3.2Å; Q79-T82 WeakPolarHBondContact CA-OG1 3.47Å; Q79-T82 PolarHBondContact O-OG1 3.01Å; Q79-A83 VanDerWaalsContact O-CB 3.25Å; Q79-A83 WeakPolarHBondContact O-CB 3.4Å; Q79-A83 PolarHBondContact O-N 3.24Å; Q79-V253 VanDerWaalsContact NE2-CG1 3.32Å; Q79-L265 HydrophobicContact CG-CD2 3.45Å; Q79-L265 VanDerWaalsContact CG-CD2 3.45Å
80	Q	37.8	Very low	39.5	Very low	114 Å²	114	74.7 Å²	74.7	53%	0.533	43%	0.425	S	S	.	.	H	α-helix	trans	-67.4	-48.2	173.5	-118.3	157.9	-23.3	0	0	110.1	T76 T82 A83 D84	T76-Q80 WeakPolarHBondContact O-CB 3.33Å; T76-Q80 PolarHBondContact O-N 2.99Å; Q80-T82 PolarHBondContact O-N 2.88Å; Q80-A83 PolarHBondContact O-N 3.26Å; Q80-D84 WeakPolarHBondContact O-CB 3.47Å; Q80-D84 VanDerWaalsContact O-CG 3.23Å; Q80-D84 PolarHBondContact O-N 2.98Å
81	V	38.6	Very low	39.8	Very low	62 Å²	62	75 Å²	75	38%	0.376	41%	0.413	S	S	.	.	H	α-helix	trans	-58.6	-45.4	175.7	171.7	0	0	0	0	110.7	S77 A83 D84 L85 V312	S77-V81 WeakPolarHBondContact O-CB 3.49Å; S77-V81 WeakPolarHBondContact O-CG2 3.47Å; S77-V81 PolarHBondContact O-N 3.39Å; V81-A83 VanDerWaalsContact C-N 3.31Å; V81-A83 PolarHBondContact O-N 3.3Å; V81-D84 PolarHBondContact O-N 3.22Å; V81-L85 HydrophobicContact CB-CD1 4.46Å; V81-L85 HydrophobicContact CG1-CD1 3.33Å; V81-L85 HydrophobicContact CG1-CG 4.15Å; V81-L85 WeakPolarHBondContact O-CB 3.47Å; V81-L85 WeakPolarHBondContact O-CD1 3.21Å; V81-L85 WeakPolarHBondContact O-CG 3.46Å; V81-L85 PolarHBondContact O-N 3.18Å; V81-V312 HydrophobicContact CG1-CB 4.48Å
82	T	34.9	Very low	40.4	Very low	13 Å²	13	71.6 Å²	71.6	8%	0.08	40%	0.403	C	S	.	.	H	α-helix	trans	-74.1	-12	176.8	53.2	0	0	0	0	115.5	L78 Q79 Q80 K256 V280	L78-T82 VanDerWaalsContact O-CB 3.3Å; L78-T82 WeakPolarHBondContact O-CB 3.41Å; L78-T82 VanDerWaalsContact O-CG2 3.27Å; L78-T82 WeakPolarHBondContact O-CG2 3.38Å; L78-T82 PolarHBondContact O-N 3.01Å; L78-T82 PolarHBondContact O-OG1 2.67Å; Q79-T82 WeakPolarHBondContact CA-OG1 3.47Å; Q79-T82 PolarHBondContact O-OG1 3.01Å; Q80-T82 PolarHBondContact O-N 2.88Å; T82-K256 PolarHBondContact O-NZ 3.29Å; T82-V280 HydrophobicContact CG2-CG2 4.3Å
83	A	35.2	Very low	40.7	Very low	61 Å²	61	72.9 Å²	72.9	50%	0.504	41%	0.409	S	S	.	.	H	α-helix	trans	-90.1	-38	172.6	0	0	0	0	0	111.4	Q79 Q80 V81 L85	Q79-A83 VanDerWaalsContact O-CB 3.25Å; Q79-A83 WeakPolarHBondContact O-CB 3.4Å; Q79-A83 PolarHBondContact O-N 3.24Å; Q80-A83 PolarHBondContact O-N 3.26Å; V81-A83 VanDerWaalsContact C-N 3.31Å; V81-A83 PolarHBondContact O-N 3.3Å; A83-L85 VanDerWaalsContact C-N 3.35Å
84	D	34.5	Very low	41.3	Very low	104 Å²	104	71.2 Å²	71.2	56%	0.556	41%	0.405	S	S	*	.	H	α-helix	trans	-78.9	-18.9	178.3	-60.3	-22.9	0	0	0	111.9	Q80 V81 V86 E87	Q80-D84 WeakPolarHBondContact O-CB 3.47Å; Q80-D84 VanDerWaalsContact O-CG 3.23Å; Q80-D84 PolarHBondContact O-N 2.98Å; V81-D84 PolarHBondContact O-N 3.22Å; D84-V86 VanDerWaalsContact C-N 3.27Å; D84-V86 PolarHBondContact O-N 3.17Å; D84-E87 PolarHBondContact O-N 3.44Å
85	L	40.9	Very low	41.8	Very low	25 Å²	25	68 Å²	68	13%	0.131	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80	9.9	-175.9	-82.9	168.6	0	0	0	117.3	V81 A83 C88 V312	V81-L85 HydrophobicContact CB-CD1 4.46Å; V81-L85 HydrophobicContact CG1-CD1 3.33Å; V81-L85 HydrophobicContact CG1-CG 4.15Å; V81-L85 WeakPolarHBondContact O-CB 3.47Å; V81-L85 WeakPolarHBondContact O-CD1 3.21Å; V81-L85 WeakPolarHBondContact O-CG 3.46Å; V81-L85 PolarHBondContact O-N 3.18Å; A83-L85 VanDerWaalsContact C-N 3.35Å; L85-C88 HydrophobicContact CD2-CB 4.31Å; L85-V312 HydrophobicContact CD1-CB 3.74Å; L85-V312 HydrophobicContact CD1-CG1 3.43Å; L85-V312 VanDerWaalsContact CD1-CG1 3.43Å; L85-V312 HydrophobicContact CD1-CG2 3.37Å; L85-V312 HydrophobicContact CD2-CB 4.45Å; L85-V312 HydrophobicContact CD2-CG1 3.27Å; L85-V312 HydrophobicContact CG-CG1 3.96Å
86	V	39.9	Very low	42.2	Very low	54 Å²	54	70.8 Å²	70.8	33%	0.327	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-3.9	163.9	-178.4	0	0	0	0	110.9	D84	D84-V86 VanDerWaalsContact C-N 3.27Å; D84-V86 PolarHBondContact O-N 3.17Å
87	E	32.4	Very low	43.1	Very low	133 Å²	133	75.3 Å²	75.3	62%	0.621	42%	0.424	S	S	*	.			trans	-116.8	15.1	-174.7	-67	-176.7	158.4	0	0	115.4	D84 S89	D84-E87 PolarHBondContact O-N 3.44Å; E87-S89 PolarHBondContact O-N 3.24Å; E87-S89 VanDerWaalsContact O-N 3.11Å
88	C	34.9	Very low	44.2	Very low	64 Å²	64	73.8 Å²	73.8	43%	0.432	41%	0.411	S	S	.	.			trans	-77.6	103.2	174.9	-104.2	0	0	0	0	110.8	L85 E90	L85-C88 HydrophobicContact CD2-CB 4.31Å; C88-E90 WeakPolarHBondContact O-CA 3.26Å; C88-E90 VanDerWaalsContact O-CB 3.23Å; C88-E90 WeakPolarHBondContact O-CB 3.26Å; C88-E90 VanDerWaalsContact O-CG 3.3Å; C88-E90 WeakPolarHBondContact O-CG 3.42Å; C88-E90 PolarHBondContact O-N 3.19Å
89	S	35.1	Very low	45.8	Very low	107 Å²	107	75.6 Å²	75.6	75%	0.748	41%	0.414	S	S	*	.			trans	-38.3	95.6	160.4	171.8	0	0	0	0	110.9	E87 Y91	E87-S89 PolarHBondContact O-N 3.24Å; E87-S89 VanDerWaalsContact O-N 3.11Å; S89-Y91 PolarHBondContact O-N 3.1Å
90	E	47.8	Very low	47.7	Very low	38 Å²	38	77.3 Å²	77.3	18%	0.178	42%	0.423	C	S	.	.			trans	-96.5	23.1	-155.9	-116.3	-173.6	-169.2	0	0	114	C88 R307 S308 I311 M345	C88-E90 WeakPolarHBondContact O-CA 3.26Å; C88-E90 VanDerWaalsContact O-CB 3.23Å; C88-E90 WeakPolarHBondContact O-CB 3.26Å; C88-E90 VanDerWaalsContact O-CG 3.3Å; C88-E90 WeakPolarHBondContact O-CG 3.42Å; C88-E90 PolarHBondContact O-N 3.19Å; E90-R307 IonicContact OE1-NH1 3.67Å; E90-R307 IonicContact OE2-NH1 3.65Å; E90-S308 WeakPolarHBondContact OE1-CB 3.3Å; E90-S308 PolarHBondContact OE1-OG 3.13Å; E90-I311 HydrophobicContact CG-CD1 4.3Å; E90-M345 HydrophobicContact CB-CE 4.47Å
91	Y	50.1	Low	49.7	Very low	95 Å²	95	78.1 Å²	78.1	37%	0.373	42%	0.424	S	S	.	.			trans	-122.5	123.4	-179.5	-54.2	-72.4	0	0	0	110.9	S89 L388	S89-Y91 PolarHBondContact O-N 3.1Å; Y91-L388 HydrophobicContact CD1-CD1 4.35Å; Y91-L388 HydrophobicContact CE1-CD1 3.54Å
92	S	51.4	Low	51.8	Low	54 Å²	54	75.2 Å²	75.2	38%	0.378	41%	0.406	S	S	.	.			trans	-59.8	137.2	164.2	169.8	0	0	0	0	109.1	A94 M95	S92-A94 PolarHBondContact O-N 2.8Å; S92-A94 WeakPolarHBondContact OG-CB 3.47Å; S92-A94 PolarHBondContact OG-N 3.1Å; S92-M95 WeakPolarHBondContact O-CB 3.12Å; S92-M95 PolarHBondContact O-N 2.76Å
93	E	43.9	Very low	54.3	Low	178 Å²	178	79.2 Å²	79.2	83%	0.832	42%	0.42	S	S	*	.	H	α-helix	trans	-50.7	-28.2	171.4	-76.1	-171.9	158.9	0	0	111.7	M95 V96	E93-M95 VanDerWaalsContact C-N 3.26Å; E93-M95 PolarHBondContact O-N 3.13Å; E93-V96 PolarHBondContact O-N 3.06Å; E93-V96 VanDerWaalsContact O-N 3.14Å
94	A	48.5	Very low	56.8	Low	59 Å²	59	80.4 Å²	80.4	49%	0.488	42%	0.415	S	S	.	.	H	α-helix	trans	-62.7	-25.9	175.9	0	0	0	0	0	114.1	S92 V96	S92-A94 PolarHBondContact O-N 2.8Å; S92-A94 WeakPolarHBondContact OG-CB 3.47Å; S92-A94 PolarHBondContact OG-N 3.1Å; A94-V96 VanDerWaalsContact C-N 3.34Å
95	M	53.3	Low	59.2	Low	3 Å²	3	77.2 Å²	77.2	2%	0.015	40%	0.4	C	S	.	.	H	α-helix	trans	-71.8	-30.3	175.8	-73.6	-141.7	80.2	0	0	112.4	S92 E93 D97 N98 L102 I344 L388	S92-M95 WeakPolarHBondContact O-CB 3.12Å; S92-M95 PolarHBondContact O-N 2.76Å; E93-M95 VanDerWaalsContact C-N 3.26Å; E93-M95 PolarHBondContact O-N 3.13Å; M95-D97 VanDerWaalsContact C-N 3.31Å; M95-D97 PolarHBondContact O-N 3.47Å; M95-N98 PolarHBondContact O-N 3.22Å; M95-L102 HydrophobicContact CE-CD2 3.55Å; M95-I344 HydrophobicContact CE-CG2 4.42Å; M95-I344 WeakPolarHBondContact CE-O 3.42Å; M95-I344 VanDerWaalsContact SD-O 3.4Å; M95-L388 HydrophobicContact CE-CD2 3.89Å; M95-L388 HydrophobicContact SD-CD2 4.44Å
96	V	53.2	Low	61.6	Low	83 Å²	83	76.1 Å²	76.1	50%	0.503	39%	0.394	S	S	.	.	H	α-helix	trans	-68.8	-33.8	-176.2	-177.1	0	0	0	0	111.2	E93 A94 N98 R99	E93-V96 PolarHBondContact O-N 3.06Å; E93-V96 VanDerWaalsContact O-N 3.14Å; A94-V96 VanDerWaalsContact C-N 3.34Å; V96-N98 VanDerWaalsContact C-N 3.28Å; V96-N98 PolarHBondContact O-N 2.99Å; V96-R99 WeakPolarHBondContact O-CG 3.4Å; V96-R99 PolarHBondContact O-NE 2.92Å
97	D	60	Low	64	Low	156 Å²	156	75.5 Å²	75.5	83%	0.834	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-11.3	178.9	-160.9	29.8	0	0	0	113.2	M95	M95-D97 VanDerWaalsContact C-N 3.31Å; M95-D97 PolarHBondContact O-N 3.47Å
98	N	69.6	Low	66.6	Low	23 Å²	23	77.3 Å²	77.3	12%	0.123	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.7	15.4	-173.8	-144	21.5	0	0	0	114.9	M95 V96 E100 K101 L102	M95-N98 PolarHBondContact O-N 3.22Å; V96-N98 VanDerWaalsContact C-N 3.28Å; V96-N98 PolarHBondContact O-N 2.99Å; N98-E100 VanDerWaalsContact C-N 3.29Å; N98-E100 PolarHBondContact O-N 3.35Å; N98-K101 PolarHBondContact O-N 3.22Å; N98-K101 VanDerWaalsContact O-N 3.13Å; N98-K101 WeakPolarHBondContact OD1-CB 3.4Å; N98-K101 WeakPolarHBondContact OD1-CD 3.48Å; N98-K101 VanDerWaalsContact OD1-CE 3.24Å; N98-K101 WeakPolarHBondContact OD1-CE 3.33Å; N98-K101 WeakPolarHBondContact OD1-CG 3.14Å; N98-K101 PolarHBondContact OD1-NZ 3.42Å; N98-L102 WeakPolarHBondContact O-CB 3.48Å; N98-L102 PolarHBondContact O-N 3.45Å
99	R	77.6	Confident	69.1	Low	93 Å²	93	75.1 Å²	75.1	35%	0.351	38%	0.379	S	S	.	.	H	α-helix	trans	-51.9	-44.1	-174.9	-74.2	-177.1	-71.1	-174.3	0.5	113.6	V96 L102 R103 M392 V396	V96-R99 WeakPolarHBondContact O-CG 3.4Å; V96-R99 PolarHBondContact O-NE 2.92Å; R99-L102 PolarHBondContact O-N 2.85Å; R99-R103 WeakPolarHBondContact O-CG 3.36Å; R99-R103 PolarHBondContact O-N 3.36Å; R99-M392 HydrophobicContact CG-SD 4.09Å; R99-V396 VanDerWaalsContact NH1-CG2 3.27Å
100	E	81.4	Confident	71.8	Confident	105 Å²	105	73.8 Å²	73.8	49%	0.491	36%	0.361	S	S	.	.	H	α-helix	trans	-69.8	-42.2	-178.8	-177.4	49.9	-146.7	0	0	112.3	N98 L102 R103 Q104	N98-E100 VanDerWaalsContact C-N 3.29Å; N98-E100 PolarHBondContact O-N 3.35Å; E100-L102 VanDerWaalsContact C-N 3.27Å; E100-L102 PolarHBondContact O-N 2.92Å; E100-R103 PolarHBondContact O-N 2.86Å; E100-R103 IonicContact OE2-NH1 3.28Å; E100-Q104 WeakPolarHBondContact O-CG 3.3Å; E100-Q104 PolarHBondContact O-N 3.46Å; E100-Q104 PolarHBondContact OE1-NE2 2.97Å
101	K	81	Confident	73.9	Confident	130 Å²	130	78.8 Å²	78.8	57%	0.565	38%	0.382	S	S	*	.	H	α-helix	trans	-64	-38	174.9	-55.6	-164.7	-154.1	126	0	110.8	N98 Q104 V105	N98-K101 PolarHBondContact O-N 3.22Å; N98-K101 VanDerWaalsContact O-N 3.13Å; N98-K101 WeakPolarHBondContact OD1-CB 3.4Å; N98-K101 WeakPolarHBondContact OD1-CD 3.48Å; N98-K101 VanDerWaalsContact OD1-CE 3.24Å; N98-K101 WeakPolarHBondContact OD1-CE 3.33Å; N98-K101 WeakPolarHBondContact OD1-CG 3.14Å; N98-K101 PolarHBondContact OD1-NZ 3.42Å; K101-Q104 PolarHBondContact O-N 2.85Å; K101-V105 WeakPolarHBondContact O-CB 3.31Å; K101-V105 WeakPolarHBondContact O-CG2 3.21Å; K101-V105 PolarHBondContact O-N 3.18Å
102	L	82.9	Confident	75.8	Confident	1 Å²	1	77.2 Å²	77.2	1%	0.005	38%	0.38	C	S	.	.	H	α-helix	trans	-65.1	-39.3	177.4	-172.1	59.5	0	0	0	112.3	M95 N98 R99 E100 V105 A106 I344 L385 L388 M392	M95-L102 HydrophobicContact CE-CD2 3.55Å; N98-L102 WeakPolarHBondContact O-CB 3.48Å; N98-L102 PolarHBondContact O-N 3.45Å; R99-L102 PolarHBondContact O-N 2.85Å; E100-L102 VanDerWaalsContact C-N 3.27Å; E100-L102 PolarHBondContact O-N 2.92Å; L102-V105 PolarHBondContact O-N 3.42Å; L102-A106 WeakPolarHBondContact O-CB 3.42Å; L102-A106 PolarHBondContact O-N 3.01Å; L102-I344 HydrophobicContact CD1-CG2 4.26Å; L102-L385 HydrophobicContact CD1-CD2 3.5Å; L102-L385 HydrophobicContact CG-CD2 4.48Å; L102-L388 HydrophobicContact CD2-CD2 3.84Å; L102-L388 HydrophobicContact CD2-CG 4.37Å; L102-M392 HydrophobicContact CD2-CE 3.48Å; L102-M392 VanDerWaalsContact CD2-CE 3.48Å; L102-M392 HydrophobicContact CD2-SD 4.23Å; L102-M392 HydrophobicContact CG-CE 4.44Å
103	R	87.2	Confident	77.6	Confident	97 Å²	97	75.4 Å²	75.4	37%	0.366	37%	0.367	S	S	.	.	H	α-helix	trans	-61.1	-45.4	171	-73.1	-176.6	-169.1	109.6	2.1	112.1	R99 E100 V105 A106 A107 I389	R99-R103 WeakPolarHBondContact O-CG 3.36Å; R99-R103 PolarHBondContact O-N 3.36Å; E100-R103 PolarHBondContact O-N 2.86Å; E100-R103 IonicContact OE2-NH1 3.28Å; R103-V105 VanDerWaalsContact C-N 3.32Å; R103-V105 PolarHBondContact O-N 3.5Å; R103-A106 PolarHBondContact O-N 3.49Å; R103-A107 WeakPolarHBondContact O-CB 3.49Å; R103-A107 PolarHBondContact O-N 3.33Å; R103-I389 HydrophobicContact CG-CD1 4.14Å; R103-I389 HydrophobicContact CG-CG1 4.29Å; R103-I389 HydrophobicContact CG-CG2 4.12Å
104	Q	87.4	Confident	79.9	Confident	86 Å²	86	72.2 Å²	72.2	40%	0.402	35%	0.351	S	S	.	.	H	α-helix	trans	-63.1	-40.2	177.1	-69.1	174.5	25.3	0	0	112	E100 K101 R108	E100-Q104 WeakPolarHBondContact O-CG 3.3Å; E100-Q104 PolarHBondContact O-N 3.46Å; E100-Q104 PolarHBondContact OE1-NE2 2.97Å; K101-Q104 PolarHBondContact O-N 2.85Å; Q104-R108 VanDerWaalsContact O-CG 3.26Å; Q104-R108 WeakPolarHBondContact O-CG 3.45Å; Q104-R108 PolarHBondContact O-N 3.36Å
105	V	86	Confident	81.9	Confident	38 Å²	38	70.4 Å²	70.4	23%	0.23	34%	0.335	C	S	.	.	H	α-helix	trans	-64.7	-47	176.3	168.9	0	0	0	0	110.7	K101 L102 R103 A107 R108 F109 V350	K101-V105 WeakPolarHBondContact O-CB 3.31Å; K101-V105 WeakPolarHBondContact O-CG2 3.21Å; K101-V105 PolarHBondContact O-N 3.18Å; L102-V105 PolarHBondContact O-N 3.42Å; R103-V105 VanDerWaalsContact C-N 3.32Å; R103-V105 PolarHBondContact O-N 3.5Å; V105-A107 PolarHBondContact O-N 2.92Å; V105-R108 PolarHBondContact O-N 3.24Å; V105-F109 WeakPolarHBondContact O-CB 3.23Å; V105-F109 PolarHBondContact O-N 3.35Å; V105-V350 HydrophobicContact CG1-CB 4.01Å; V105-V350 HydrophobicContact CG1-CG2 3.28Å
106	A	89.5	Confident	83.6	Confident	1 Å²	1	70.3 Å²	70.3	1%	0.008	34%	0.335	C	S	.	.	H	α-helix	trans	-58.8	-47	175.9	0	0	0	0	0	112	L102 R103 R108 F109 E110 L385 I389	L102-A106 WeakPolarHBondContact O-CB 3.42Å; L102-A106 PolarHBondContact O-N 3.01Å; R103-A106 PolarHBondContact O-N 3.49Å; A106-R108 VanDerWaalsContact C-N 3.31Å; A106-R108 PolarHBondContact O-N 3.45Å; A106-F109 PolarHBondContact O-N 3.18Å; A106-F109 VanDerWaalsContact O-N 3.08Å; A106-E110 WeakPolarHBondContact O-CB 3.29Å; A106-E110 PolarHBondContact O-N 3.22Å; A106-L385 HydrophobicContact CB-CB 3.89Å; A106-L385 HydrophobicContact CB-CD1 4.47Å; A106-I389 HydrophobicContact CB-CD1 3.24Å
107	A	91.2	Very high	85.1	Confident	42 Å²	42	71.6 Å²	71.6	35%	0.347	34%	0.339	S	S	.	.	H	α-helix	trans	-62.4	-35.6	177.5	0	0	0	0	0	112.9	R103 V105 K111	R103-A107 WeakPolarHBondContact O-CB 3.49Å; R103-A107 PolarHBondContact O-N 3.33Å; V105-A107 PolarHBondContact O-N 2.92Å; A107-K111 VanDerWaalsContact O-CG 3.26Å; A107-K111 WeakPolarHBondContact O-CG 3.49Å; A107-K111 PolarHBondContact O-N 3.47Å
108	R	87.6	Confident	86.2	Confident	171 Å²	171	72.1 Å²	72.1	65%	0.645	33%	0.329	S	S	*	.	H	α-helix	trans	-67.5	-40.8	173	-74	172	-172.7	173.9	4.8	111.4	Q104 V105 A106 L112	Q104-R108 VanDerWaalsContact O-CG 3.26Å; Q104-R108 WeakPolarHBondContact O-CG 3.45Å; Q104-R108 PolarHBondContact O-N 3.36Å; V105-R108 PolarHBondContact O-N 3.24Å; A106-R108 VanDerWaalsContact C-N 3.31Å; A106-R108 PolarHBondContact O-N 3.45Å; R108-L112 WeakPolarHBondContact O-CB 3.29Å; R108-L112 PolarHBondContact O-N 2.87Å
109	F	87.7	Confident	86.7	Confident	17 Å²	17	79 Å²	79	8%	0.075	35%	0.353	C	S	.	.	H	α-helix	trans	-71	-39.2	-177.5	-146.4	-98.1	0	0	0	112.1	V105 A106 L112 V113 V350 I353 H378 I381 L385	V105-F109 WeakPolarHBondContact O-CB 3.23Å; V105-F109 PolarHBondContact O-N 3.35Å; A106-F109 PolarHBondContact O-N 3.18Å; A106-F109 VanDerWaalsContact O-N 3.08Å; F109-L112 WeakPolarHBondContact O-CB 3.32Å; F109-L112 PolarHBondContact O-N 3Å; F109-V113 HydrophobicContact CD1-CG2 4.44Å; F109-V113 WeakPolarHBondContact O-CG2 3.42Å; F109-V113 PolarHBondContact O-N 3.01Å; F109-V350 HydrophobicContact CD2-CG1 4.19Å; F109-V350 HydrophobicContact CE2-CG1 3.85Å; F109-I353 HydrophobicContact CE2-CG1 4.38Å; F109-I353 HydrophobicContact CZ-CG1 4.22Å; F109-H378 HydrophobicContact CE1-CB 3.96Å; F109-H378 AromaticContact CE1-CD2 3.96Å; F109-H378 VanDerWaalsContact CE1-O 3.23Å; F109-H378 WeakPolarHBondContact CE1-O 3.48Å; F109-H378 HydrophobicContact CZ-CB 4.24Å; F109-H378 AromaticContact CZ-CD2 3.42Å; F109-H378 VanDerWaalsContact CZ-CD2 3.42Å; F109-H378 WeakPolarHBondContact CZ-CD2 3.39Å; F109-I381 HydrophobicContact CD1-CB 4.41Å; F109-I381 HydrophobicContact CD1-CG2 4.08Å; F109-I381 HydrophobicContact CE1-CB 3.61Å; F109-I381 HydrophobicContact CE1-CG2 3.57Å; F109-I381 HydrophobicContact CE2-CG2 4.43Å; F109-I381 HydrophobicContact CZ-CB 4Å; F109-I381 HydrophobicContact CZ-CD1 4.27Å; F109-I381 HydrophobicContact CZ-CG2 3.76Å; F109-L385 HydrophobicContact CB-CD1 4.22Å; F109-L385 HydrophobicContact CG-CD1 4.34Å
110	E	90.1	Very high	86.6	Confident	79 Å²	79	78.1 Å²	78.1	37%	0.369	36%	0.362	S	S	.	.	H	α-helix	trans	-60.6	-49	172.3	-175.7	168.1	-136.9	0	0	111.2	A106 L112 V113 E114	A106-E110 WeakPolarHBondContact O-CB 3.29Å; A106-E110 PolarHBondContact O-N 3.22Å; E110-L112 VanDerWaalsContact C-N 3.28Å; E110-L112 PolarHBondContact O-N 3.5Å; E110-V113 PolarHBondContact O-N 3.42Å; E110-V113 VanDerWaalsContact O-N 3.16Å; E110-E114 WeakPolarHBondContact O-CG 3.39Å; E110-E114 PolarHBondContact O-N 2.82Å
111	K	91.5	Very high	86.5	Confident	144 Å²	144	81.6 Å²	81.6	63%	0.626	38%	0.382	S	S	*	.	H	α-helix	trans	-58.8	-37.9	174.2	-73.8	176.7	-176.8	-176.8	0	113	A107 S115	A107-K111 VanDerWaalsContact O-CG 3.26Å; A107-K111 WeakPolarHBondContact O-CG 3.49Å; A107-K111 PolarHBondContact O-N 3.47Å; K111-S115 VanDerWaalsContact O-CB 3.32Å; K111-S115 WeakPolarHBondContact O-CB 3.44Å; K111-S115 PolarHBondContact O-N 3.11Å; K111-S115 PolarHBondContact O-OG 2.98Å
112	L	90	Very high	86.2	Confident	61 Å²	61	83.9 Å²	83.9	32%	0.319	40%	0.401	S	S	.	.	H	α-helix	trans	-63	-49.3	175.9	178.1	64.8	0	0	0	110.6	R108 F109 E110 E114 S115 F116	R108-L112 WeakPolarHBondContact O-CB 3.29Å; R108-L112 PolarHBondContact O-N 2.87Å; F109-L112 WeakPolarHBondContact O-CB 3.32Å; F109-L112 PolarHBondContact O-N 3Å; E110-L112 VanDerWaalsContact C-N 3.28Å; E110-L112 PolarHBondContact O-N 3.5Å; L112-E114 PolarHBondContact O-N 3.08Å; L112-S115 WeakPolarHBondContact CA-OG 3.31Å; L112-S115 PolarHBondContact O-N 3.14Å; L112-S115 PolarHBondContact O-OG 3.01Å; L112-F116 HydrophobicContact CD1-CD1 4.37Å; L112-F116 HydrophobicContact CD1-CE1 3.7Å; L112-F116 HydrophobicContact CD1-CZ 4.41Å; L112-F116 HydrophobicContact CD2-CE1 4.48Å; L112-F116 HydrophobicContact CD2-CZ 4.41Å; L112-F116 HydrophobicContact CG-CE1 3.78Å; L112-F116 HydrophobicContact CG-CZ 4.07Å; L112-F116 WeakPolarHBondContact O-CD1 3.5Å; L112-F116 PolarHBondContact O-N 2.89Å
113	V	91.2	Very high	86.3	Confident	17 Å²	17	84.6 Å²	84.6	10%	0.103	41%	0.409	C	S	.	.	H	α-helix	trans	-59.6	-44.6	177.3	169.2	0	0	0	0	111.7	F109 E110 S115 F116 H378 L379	F109-V113 HydrophobicContact CD1-CG2 4.44Å; F109-V113 WeakPolarHBondContact O-CG2 3.42Å; F109-V113 PolarHBondContact O-N 3.01Å; E110-V113 PolarHBondContact O-N 3.42Å; E110-V113 VanDerWaalsContact O-N 3.16Å; V113-S115 PolarHBondContact O-N 3.43Å; V113-F116 WeakPolarHBondContact O-CB 3.15Å; V113-F116 PolarHBondContact O-N 3.16Å; V113-H378 HydrophobicContact CG2-CB 3.73Å; V113-L379 HydrophobicContact CG1-CD2 3.38Å; V113-L379 HydrophobicContact CG1-CG 4Å
114	E	90.7	Very high	86.5	Confident	110 Å²	110	82.6 Å²	82.6	51%	0.514	41%	0.409	S	S	.	.	H	α-helix	trans	-62.8	-29.6	175.1	-71.1	175.5	176.6	0	0	112.8	E110 L112 F116	E110-E114 WeakPolarHBondContact O-CG 3.39Å; E110-E114 PolarHBondContact O-N 2.82Å; L112-E114 PolarHBondContact O-N 3.08Å; E114-F116 VanDerWaalsContact C-N 3.34Å
115	S	90.7	Very high	86.7	Confident	21 Å²	21	79.1 Å²	79.1	15%	0.147	39%	0.393	C	S	.	.	H	α-helix	trans	-79.2	-15.8	-179.8	73.9	0	0	0	0	113.7	K111 L112 V113 D117 R118 L126	K111-S115 VanDerWaalsContact O-CB 3.32Å; K111-S115 WeakPolarHBondContact O-CB 3.44Å; K111-S115 PolarHBondContact O-N 3.11Å; K111-S115 PolarHBondContact O-OG 2.98Å; L112-S115 WeakPolarHBondContact CA-OG 3.31Å; L112-S115 PolarHBondContact O-N 3.14Å; L112-S115 PolarHBondContact O-OG 3.01Å; V113-S115 PolarHBondContact O-N 3.43Å; S115-D117 VanDerWaalsContact C-N 3.26Å; S115-D117 PolarHBondContact O-N 3.3Å; S115-R118 VanDerWaalsContact O-CB 3.29Å; S115-R118 WeakPolarHBondContact O-CB 3.45Å; S115-R118 PolarHBondContact O-N 3.26Å; S115-L126 VanDerWaalsContact OG-CD2 3.25Å; S115-L126 WeakPolarHBondContact OG-CD2 3.42Å
116	F	89.9	Confident	87	Confident	2 Å²	2	80.4 Å²	80.4	1%	0.009	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-31.9	-178.7	-80.2	-3.5	0	0	0	113.7	L112 V113 E114 R118 T125 L126 L127 Q375 H378	L112-F116 HydrophobicContact CD1-CD1 4.37Å; L112-F116 HydrophobicContact CD1-CE1 3.7Å; L112-F116 HydrophobicContact CD1-CZ 4.41Å; L112-F116 HydrophobicContact CD2-CE1 4.48Å; L112-F116 HydrophobicContact CD2-CZ 4.41Å; L112-F116 HydrophobicContact CG-CE1 3.78Å; L112-F116 HydrophobicContact CG-CZ 4.07Å; L112-F116 WeakPolarHBondContact O-CD1 3.5Å; L112-F116 PolarHBondContact O-N 2.89Å; V113-F116 WeakPolarHBondContact O-CB 3.15Å; V113-F116 PolarHBondContact O-N 3.16Å; E114-F116 VanDerWaalsContact C-N 3.34Å; F116-R118 VanDerWaalsContact C-N 3.33Å; F116-T125 VanDerWaalsContact O-CB 3.28Å; F116-T125 WeakPolarHBondContact O-CB 3.33Å; F116-L126 HydrophobicContact CD1-CD2 4.39Å; F116-L127 HydrophobicContact CB-CB 3.94Å; F116-L127 HydrophobicContact CD1-CB 4.46Å; F116-L127 HydrophobicContact CD2-CD1 3.81Å; F116-L127 HydrophobicContact CE2-CD1 3.96Å; F116-L127 HydrophobicContact CG-CB 4.11Å; F116-L127 HydrophobicContact CG-CD1 4.15Å; F116-L127 HydrophobicContact CZ-CD1 4.43Å; F116-L127 PolarHBondContact O-N 3.46Å; F116-Q375 HydrophobicContact CD2-CB 4.32Å; F116-Q375 HydrophobicContact CD2-CG 4.12Å; F116-H378 HydrophobicContact CE2-CB 3.76Å; F116-H378 AromaticContact CE2-CG 3.57Å; F116-H378 AromaticContact CE2-ND1 3.67Å; F116-H378 HydrophobicContact CZ-CB 4.36Å; F116-H378 AromaticContact CZ-CD2 3.76Å; F116-H378 AromaticContact CZ-CE1 3.86Å; F116-H378 AromaticContact CZ-CG 3.76Å; F116-H378 AromaticContact CZ-ND1 3.82Å; F116-H378 AromaticContact CZ-NE2 3.85Å
117	D	84.2	Confident	87.2	Confident	110 Å²	110	80.8 Å²	80.8	59%	0.588	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-5.2	177.6	-62.8	-32.1	0	0	0	112.9	S115 R119 Q375	S115-D117 VanDerWaalsContact C-N 3.26Å; S115-D117 PolarHBondContact O-N 3.3Å; D117-R119 PolarHBondContact O-N 2.96Å; D117-Q375 PolarHBondContact OD1-NE2 3.08Å
118	R	82.4	Confident	87.3	Confident	167 Å²	167	82 Å²	82	63%	0.63	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-72.6	123.1	177.2	-63.3	-177.2	-175.9	-165.6	1	109.7	S115 F116 T125 L126	S115-R118 VanDerWaalsContact O-CB 3.29Å; S115-R118 WeakPolarHBondContact O-CB 3.45Å; S115-R118 PolarHBondContact O-N 3.26Å; F116-R118 VanDerWaalsContact C-N 3.33Å; R118-T125 WeakPolarHBondContact O-CA 3.26Å; R118-L126 PolarHBondContact O-N 3.4Å
119	R	80.6	Confident	87.6	Confident	167 Å²	167	77.9 Å²	77.9	63%	0.63	39%	0.389	S	S	*	.	B	Isolated β-bridge	trans	-85.8	142.6	173.7	-66.8	-179.2	-176.5	-82	-3	110.4	D117 T125	D117-R119 PolarHBondContact O-N 2.96Å; R119-T125 HydrophobicContact CG-CG2 3.78Å
120	S	76.2	Confident	87.8	Confident	75 Å²	75	78.3 Å²	78.3	52%	0.524	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-65	159.6	156.2	-171.8	0	0	0	0	109.3	N122 G123 P124	S120-N122 PolarHBondContact O-N 3.07Å; S120-G123 PolarHBondContact O-N 2.92Å; S120-P124 PolarHBondContact N-O 3.35Å
121	L	77.7	Confident	88.1	Confident	177 Å²	177	75.9 Å²	75.9	93%	0.927	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.6	104.3	178.1	-76.6	155.7	0	0	0	110.4	G123	L121-G123 PolarHBondContact O-N 3.13Å; L121-G123 VanDerWaalsContact O-N 3.11Å
122	N	76.1	Confident	88.3	Confident	178 Å²	178	75 Å²	75	95%	0.952	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	18.9	-172.1	-61.4	-21.1	0	0	0	116.1	S120	S120-N122 PolarHBondContact O-N 3.07Å
123	G	85.1	Confident	88.6	Confident	17 Å²	17	77.7 Å²	77.7	18%	0.175	39%	0.387	C	S	.	.	S	Bend	trans	-105.3	-176.3	-175	0	0	0	0	0	113.9	S120 L121	S120-G123 PolarHBondContact O-N 2.92Å; L121-G123 PolarHBondContact O-N 3.13Å; L121-G123 VanDerWaalsContact O-N 3.11Å
124	P	89.9	Confident	88.8	Confident	55 Å²	55	77 Å²	77	36%	0.357	38%	0.383	S	S	.	.			trans	-61	158.7	171.7	27.5	-34.9	0	0	0	111.4	S120 E128 L129	S120-P124 PolarHBondContact N-O 3.35Å; P124-E128 WeakPolarHBondContact CA-OE2 3.49Å; P124-E128 HydrophobicContact CB-CB 3.87Å; P124-E128 VanDerWaalsContact CB-OE2 3.23Å; P124-E128 WeakPolarHBondContact CB-OE2 3.44Å; P124-L129 HydrophobicContact CB-CD2 4.28Å; P124-L129 HydrophobicContact CB-CG 4.15Å; P124-L129 HydrophobicContact CG-CD1 4.2Å; P124-L129 HydrophobicContact CG-CD2 3.46Å; P124-L129 VanDerWaalsContact CG-CD2 3.46Å; P124-L129 HydrophobicContact CG-CG 3.67Å
125	T	92.8	Very high	89	Confident	13 Å²	13	73.8 Å²	73.8	8%	0.08	37%	0.369	C	S	.	.	B	Isolated β-bridge	trans	-70.5	160.4	169.7	67.4	0	0	0	0	110.7	F116 R118 R119 L127 E128 L129	F116-T125 VanDerWaalsContact O-CB 3.28Å; F116-T125 WeakPolarHBondContact O-CB 3.33Å; R118-T125 WeakPolarHBondContact O-CA 3.26Å; R119-T125 HydrophobicContact CG-CG2 3.78Å; T125-L127 PolarHBondContact O-N 2.92Å; T125-E128 PolarHBondContact N-OE2 2.84Å; T125-E128 PolarHBondContact O-N 2.92Å; T125-E128 VanDerWaalsContact O-N 3.17Å; T125-E128 VanDerWaalsContact OG1-CG 3.31Å; T125-E128 WeakPolarHBondContact OG1-CG 3.36Å; T125-E128 PolarHBondContact OG1-N 3.29Å; T125-E128 VanDerWaalsContact OG1-N 3.11Å; T125-L129 PolarHBondContact O-N 2.7Å
126	L	91.8	Very high	89.3	Confident	65 Å²	65	78 Å²	78	34%	0.34	39%	0.387	S	S	.	.	H	α-helix	trans	-57.2	-36.3	172.5	179.9	62.6	0	0	0	111.5	S115 F116 R118 L129 T130	S115-L126 VanDerWaalsContact OG-CD2 3.25Å; S115-L126 WeakPolarHBondContact OG-CD2 3.42Å; F116-L126 HydrophobicContact CD1-CD2 4.39Å; R118-L126 PolarHBondContact O-N 3.4Å; L126-L129 PolarHBondContact O-N 3.45Å; L126-T130 WeakPolarHBondContact O-CB 3.39Å; L126-T130 PolarHBondContact O-N 2.91Å; L126-T130 PolarHBondContact O-OG1 3.22Å
127	L	93.7	Very high	89.5	Confident	9 Å²	9	82 Å²	82	5%	0.047	41%	0.405	C	S	.	.	H	α-helix	trans	-62	-46.4	175.8	179	66.5	0	0	0	112	F116 T125 L129 T130 W131 A371 L374 Q375	F116-L127 HydrophobicContact CB-CB 3.94Å; F116-L127 HydrophobicContact CD1-CB 4.46Å; F116-L127 HydrophobicContact CD2-CD1 3.81Å; F116-L127 HydrophobicContact CE2-CD1 3.96Å; F116-L127 HydrophobicContact CG-CB 4.11Å; F116-L127 HydrophobicContact CG-CD1 4.15Å; F116-L127 HydrophobicContact CZ-CD1 4.43Å; F116-L127 PolarHBondContact O-N 3.46Å; T125-L127 PolarHBondContact O-N 2.92Å; L127-L129 VanDerWaalsContact C-N 3.34Å; L127-L129 PolarHBondContact O-N 3.34Å; L127-T130 PolarHBondContact O-N 3.24Å; L127-W131 VanDerWaalsContact O-CB 3.28Å; L127-W131 WeakPolarHBondContact O-CB 3.45Å; L127-W131 PolarHBondContact O-N 3.44Å; L127-A371 HydrophobicContact CD2-CB 4.13Å; L127-A371 HydrophobicContact CG-CB 4.03Å; L127-L374 HydrophobicContact CD1-CD2 4.22Å; L127-L374 HydrophobicContact CD1-CG 4.44Å; L127-Q375 HydrophobicContact CD1-CB 3.99Å; L127-Q375 HydrophobicContact CD2-CB 3.78Å; L127-Q375 HydrophobicContact CD2-CG 4.31Å
128	E	93.7	Very high	90.1	Very high	67 Å²	67	76.7 Å²	76.7	31%	0.313	38%	0.377	S	S	.	.	H	α-helix	trans	-63.3	-40.8	178.9	-74.5	166.3	169.4	0	0	111.6	P124 T125 K132	P124-E128 WeakPolarHBondContact CA-OE2 3.49Å; P124-E128 HydrophobicContact CB-CB 3.87Å; P124-E128 VanDerWaalsContact CB-OE2 3.23Å; P124-E128 WeakPolarHBondContact CB-OE2 3.44Å; T125-E128 PolarHBondContact N-OE2 2.84Å; T125-E128 PolarHBondContact O-N 2.92Å; T125-E128 VanDerWaalsContact O-N 3.17Å; T125-E128 VanDerWaalsContact OG1-CG 3.31Å; T125-E128 WeakPolarHBondContact OG1-CG 3.36Å; T125-E128 PolarHBondContact OG1-N 3.29Å; T125-E128 VanDerWaalsContact OG1-N 3.11Å; E128-K132 VanDerWaalsContact O-CB 3.27Å; E128-K132 WeakPolarHBondContact O-CB 3.49Å; E128-K132 PolarHBondContact O-N 3Å
129	L	93.1	Very high	90.7	Very high	85 Å²	85	73.2 Å²	73.2	45%	0.445	37%	0.368	S	S	.	.	H	α-helix	trans	-63.4	-47.8	174.9	-71.1	174	0	0	0	111.7	P124 T125 L126 L127 K132 E133	P124-L129 HydrophobicContact CB-CD2 4.28Å; P124-L129 HydrophobicContact CB-CG 4.15Å; P124-L129 HydrophobicContact CG-CD1 4.2Å; P124-L129 HydrophobicContact CG-CD2 3.46Å; P124-L129 VanDerWaalsContact CG-CD2 3.46Å; P124-L129 HydrophobicContact CG-CG 3.67Å; T125-L129 PolarHBondContact O-N 2.7Å; L126-L129 PolarHBondContact O-N 3.45Å; L127-L129 VanDerWaalsContact C-N 3.34Å; L127-L129 PolarHBondContact O-N 3.34Å; L129-K132 PolarHBondContact O-N 3.48Å; L129-E133 PolarHBondContact O-N 3.37Å; L129-E133 VanDerWaalsContact O-N 3.09Å
130	T	93.2	Very high	91.4	Very high	25 Å²	25	66.7 Å²	66.7	15%	0.153	35%	0.35	C	S	.	.	H	α-helix	trans	-62.4	-45.2	179.3	-55	0	0	0	0	110.9	L126 L127 K132 E133 I134 L374	L126-T130 WeakPolarHBondContact O-CB 3.39Å; L126-T130 PolarHBondContact O-N 2.91Å; L126-T130 PolarHBondContact O-OG1 3.22Å; L127-T130 PolarHBondContact O-N 3.24Å; T130-K132 VanDerWaalsContact C-N 3.34Å; T130-K132 PolarHBondContact O-N 2.84Å; T130-E133 PolarHBondContact O-N 3.46Å; T130-I134 HydrophobicContact CG2-CD1 3.93Å; T130-I134 WeakPolarHBondContact O-CD1 3.28Å; T130-I134 VanDerWaalsContact O-CG1 3.3Å; T130-I134 WeakPolarHBondContact O-CG1 3.43Å; T130-I134 PolarHBondContact O-N 3.15Å; T130-I134 VanDerWaalsContact O-N 3.11Å; T130-L374 HydrophobicContact CG2-CD2 4.22Å
131	W	95.9	Very high	92.3	Very high	29 Å²	29	66 Å²	66	11%	0.11	34%	0.338	C	S	.	.	H	α-helix	trans	-63.3	-41.2	177.2	176.2	-114.5	0	0	0	111.8	L127 E133 I134 L135 V357 I368 A369 D370 A371 L374	L127-W131 VanDerWaalsContact O-CB 3.28Å; L127-W131 WeakPolarHBondContact O-CB 3.45Å; L127-W131 PolarHBondContact O-N 3.44Å; W131-E133 PolarHBondContact O-N 2.72Å; W131-I134 HydrophobicContact CZ3-CG2 4.46Å; W131-I134 PolarHBondContact O-N 3.32Å; W131-L135 HydrophobicContact CZ2-CD1 4.05Å; W131-L135 WeakPolarHBondContact O-CB 3.25Å; W131-L135 PolarHBondContact O-N 3.4Å; W131-V357 HydrophobicContact CZ3-CG1 4.39Å; W131-I368 HydrophobicContact CH2-CG2 4.13Å; W131-I368 WeakPolarHBondContact CH2-O 3.41Å; W131-I368 HydrophobicContact CZ3-CG2 3.75Å; W131-A369 WeakPolarHBondContact CZ2-O 3.27Å; W131-D370 VanDerWaalsContact CZ2-CA 3.44Å; W131-A371 HydrophobicContact CB-CB 3.87Å; W131-A371 HydrophobicContact CD2-CB 4.5Å; W131-A371 HydrophobicContact CG-CB 3.8Å; W131-L374 HydrophobicContact CB-CD2 4.42Å; W131-L374 HydrophobicContact CE3-CB 4.27Å; W131-L374 HydrophobicContact CE3-CD2 4.14Å
132	K	95.7	Very high	93	Very high	126 Å²	126	59.7 Å²	59.7	55%	0.548	30%	0.304	S	S	.	.	H	α-helix	trans	-59.8	-46.8	177.6	-176.1	-176.1	174.8	-170.2	0	111.7	E128 L129 T130 L135 E136	E128-K132 VanDerWaalsContact O-CB 3.27Å; E128-K132 WeakPolarHBondContact O-CB 3.49Å; E128-K132 PolarHBondContact O-N 3Å; L129-K132 PolarHBondContact O-N 3.48Å; T130-K132 VanDerWaalsContact C-N 3.34Å; T130-K132 PolarHBondContact O-N 2.84Å; K132-L135 PolarHBondContact O-N 3Å; K132-E136 VanDerWaalsContact CE-OE1 3.23Å; K132-E136 WeakPolarHBondContact CE-OE1 3.34Å; K132-E136 WeakPolarHBondContact O-CG 3.45Å; K132-E136 PolarHBondContact O-N 2.94Å
133	E	95.3	Very high	93.9	Very high	116 Å²	116	60.6 Å²	60.6	54%	0.542	30%	0.295	S	S	.	.	H	α-helix	trans	-60	-48.9	177.8	-176.2	179.9	-179.6	0	0	111.6	L129 T130 W131 L135 E136 H137	L129-E133 PolarHBondContact O-N 3.37Å; L129-E133 VanDerWaalsContact O-N 3.09Å; T130-E133 PolarHBondContact O-N 3.46Å; W131-E133 PolarHBondContact O-N 2.72Å; E133-L135 VanDerWaalsContact C-N 3.32Å; E133-L135 PolarHBondContact O-N 3.19Å; E133-E136 PolarHBondContact O-N 3.2Å; E133-H137 PolarHBondContact O-N 2.99Å
134	I	95.8	Very high	94.4	Very high	2 Å²	2	66.4 Å²	66.4	1%	0.01	32%	0.315	C	S	.	.	H	α-helix	trans	-61.2	-42.7	177	-64.9	165.1	0	0	0	110.9	T130 W131 E136 H137 C138 N354 V357 L374	T130-I134 HydrophobicContact CG2-CD1 3.93Å; T130-I134 WeakPolarHBondContact O-CD1 3.28Å; T130-I134 VanDerWaalsContact O-CG1 3.3Å; T130-I134 WeakPolarHBondContact O-CG1 3.43Å; T130-I134 PolarHBondContact O-N 3.15Å; T130-I134 VanDerWaalsContact O-N 3.11Å; W131-I134 HydrophobicContact CZ3-CG2 4.46Å; W131-I134 PolarHBondContact O-N 3.32Å; I134-E136 VanDerWaalsContact C-N 3.33Å; I134-E136 PolarHBondContact O-N 3.39Å; I134-H137 PolarHBondContact O-N 3.49Å; I134-C138 VanDerWaalsContact O-CB 3.31Å; I134-C138 WeakPolarHBondContact O-CB 3.46Å; I134-C138 PolarHBondContact O-N 3.36Å; I134-C138 PolarHBondContact O-SG 3.41Å; I134-C138 VanDerWaalsContact O-SG 3.35Å; I134-N354 HydrophobicContact CD1-CB 3.98Å; I134-N354 VanDerWaalsContact CD1-CG 3.49Å; I134-N354 WeakPolarHBondContact CD1-OD1 3.46Å; I134-N354 HydrophobicContact CG1-CB 4.02Å; I134-V357 HydrophobicContact CG2-CB 3.98Å; I134-V357 HydrophobicContact CG2-CG1 3.64Å; I134-L374 HydrophobicContact CD1-CD1 4.31Å; I134-L374 HydrophobicContact CD1-CD2 3.72Å
135	L	96	Very high	94.8	Very high	44 Å²	44	65.6 Å²	65.6	23%	0.23	31%	0.307	C	S	.	.	H	α-helix	trans	-63	-39.5	-178.1	-177.5	62.2	0	0	0	111.6	W131 K132 E133 H137 C138 E139 W361	W131-L135 HydrophobicContact CZ2-CD1 4.05Å; W131-L135 WeakPolarHBondContact O-CB 3.25Å; W131-L135 PolarHBondContact O-N 3.4Å; K132-L135 PolarHBondContact O-N 3Å; E133-L135 VanDerWaalsContact C-N 3.32Å; E133-L135 PolarHBondContact O-N 3.19Å; L135-H137 VanDerWaalsContact C-N 3.34Å; L135-H137 PolarHBondContact O-N 3.04Å; L135-C138 PolarHBondContact O-N 2.88Å; L135-E139 HydrophobicContact CD1-CG 4.04Å; L135-E139 HydrophobicContact CG-CG 4.28Å; L135-E139 WeakPolarHBondContact O-CB 3.43Å; L135-E139 WeakPolarHBondContact O-CG 3.49Å; L135-E139 PolarHBondContact O-N 3.26Å; L135-W361 HydrophobicContact CD1-CH2 3.7Å; L135-W361 HydrophobicContact CD1-CZ2 4.03Å
136	E	96	Very high	95	Very high	109 Å²	109	68.9 Å²	68.9	51%	0.509	33%	0.327	S	S	.	.	H	α-helix	trans	-59.5	-43.6	176	-74.5	175.3	-170.4	0	0	111.6	K132 E133 I134 A140	K132-E136 VanDerWaalsContact CE-OE1 3.23Å; K132-E136 WeakPolarHBondContact CE-OE1 3.34Å; K132-E136 WeakPolarHBondContact O-CG 3.45Å; K132-E136 PolarHBondContact O-N 2.94Å; E133-E136 PolarHBondContact O-N 3.2Å; I134-E136 VanDerWaalsContact C-N 3.33Å; I134-E136 PolarHBondContact O-N 3.39Å; E136-A140 WeakPolarHBondContact O-CB 3.34Å; E136-A140 PolarHBondContact O-N 3.06Å; E136-A140 VanDerWaalsContact O-N 3.08Å
137	H	95.1	Very high	95.2	Very high	85 Å²	85	68 Å²	68	39%	0.394	32%	0.322	S	S	.	.	H	α-helix	trans	-66.2	-47.5	173.8	-61.6	152	0	0	0	112	E133 I134 L135 E139 A140 E141 E358	E133-H137 PolarHBondContact O-N 2.99Å; I134-H137 PolarHBondContact O-N 3.49Å; L135-H137 VanDerWaalsContact C-N 3.34Å; L135-H137 PolarHBondContact O-N 3.04Å; H137-E139 VanDerWaalsContact C-N 3.32Å; H137-E139 PolarHBondContact O-N 3.04Å; H137-A140 WeakPolarHBondContact O-CB 3.49Å; H137-A140 PolarHBondContact O-N 3.31Å; H137-A140 VanDerWaalsContact O-N 3.11Å; H137-E141 PolarHBondContact O-N 3.24Å; H137-E358 HydrophobicContact CB-CG 4.18Å; H137-E358 IonicContact CE1-OE1 2.59Å; H137-E358 IonicContact CG-OE1 2.93Å; H137-E358 IonicContact ND1-OE1 4Å; H137-E358 PolarHBondContact ND1-OE1 3.2Å
138	C	96.3	Very high	95.4	Very high	0 Å²	0	71.1 Å²	71.1	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-56.7	-41.7	177.9	-81.2	0	0	0	0	112.7	I134 L135 E141 M142 W361	I134-C138 VanDerWaalsContact O-CB 3.31Å; I134-C138 WeakPolarHBondContact O-CB 3.46Å; I134-C138 PolarHBondContact O-N 3.36Å; I134-C138 PolarHBondContact O-SG 3.41Å; I134-C138 VanDerWaalsContact O-SG 3.35Å; L135-C138 PolarHBondContact O-N 2.88Å; C138-E141 PolarHBondContact O-N 2.64Å; C138-M142 WeakPolarHBondContact O-CB 3.25Å; C138-M142 PolarHBondContact O-N 3.35Å; C138-W361 HydrophobicContact CB-CB 4.14Å; C138-W361 HydrophobicContact CB-CD2 3.49Å; C138-W361 VanDerWaalsContact CB-CD2 3.49Å; C138-W361 HydrophobicContact CB-CE3 3.45Å; C138-W361 VanDerWaalsContact CB-CE3 3.45Å; C138-W361 HydrophobicContact CB-CG 3.84Å; C138-W361 HydrophobicContact CB-CH2 4.27Å; C138-W361 HydrophobicContact CB-CZ2 4.37Å; C138-W361 HydrophobicContact CB-CZ3 3.84Å; C138-W361 VanDerWaalsContact SG-CG 3.51Å
139	E	95	Very high	95.6	Very high	93 Å²	93	70.4 Å²	70.4	44%	0.435	34%	0.342	S	S	.	.	H	α-helix	trans	-72	-32.9	176.1	-73.3	-173.1	163.7	0	0	112.9	L135 H137 M142 R143 W361	L135-E139 HydrophobicContact CD1-CG 4.04Å; L135-E139 HydrophobicContact CG-CG 4.28Å; L135-E139 WeakPolarHBondContact O-CB 3.43Å; L135-E139 WeakPolarHBondContact O-CG 3.49Å; L135-E139 PolarHBondContact O-N 3.26Å; H137-E139 VanDerWaalsContact C-N 3.32Å; H137-E139 PolarHBondContact O-N 3.04Å; E139-M142 HydrophobicContact CG-CE 4.42Å; E139-R143 WeakPolarHBondContact O-CG 3.41Å; E139-R143 PolarHBondContact O-N 3.46Å; E139-R143 PolarHBondContact O-NE 3.31Å; E139-W361 HydrophobicContact CG-CZ3 4.37Å
140	A	95.4	Very high	95.8	Very high	31 Å²	31	66.4 Å²	66.4	26%	0.256	32%	0.321	S	S	.	.	H	α-helix	trans	-65	-44.6	171.5	0	0	0	0	0	111.9	E136 H137 R143	E136-A140 WeakPolarHBondContact O-CB 3.34Å; E136-A140 PolarHBondContact O-N 3.06Å; E136-A140 VanDerWaalsContact O-N 3.08Å; H137-A140 WeakPolarHBondContact O-CB 3.49Å; H137-A140 PolarHBondContact O-N 3.31Å; H137-A140 VanDerWaalsContact O-N 3.11Å; A140-R143 PolarHBondContact O-N 3.24Å
141	E	93.8	Very high	96	Very high	59 Å²	59	71.7 Å²	71.7	28%	0.276	34%	0.342	S	S	.	.	H	α-helix	trans	-63.6	-47.8	174.5	-68	-49	113.2	0	0	111.5	H137 C138 R143 K144 H145	H137-E141 PolarHBondContact O-N 3.24Å; C138-E141 PolarHBondContact O-N 2.64Å; E141-R143 PolarHBondContact O-N 3.37Å; E141-K144 VanDerWaalsContact O-CB 3.29Å; E141-K144 WeakPolarHBondContact O-CB 3.42Å; E141-K144 WeakPolarHBondContact O-CG 3.23Å; E141-K144 PolarHBondContact O-N 3.01Å; E141-K144 WeakPolarHBondContact OE1-CE 3.29Å; E141-K144 IonicContact OE1-NZ 2.77Å; E141-K144 PolarHBondContact OE1-NZ 3.07Å; E141-K144 IonicContact OE2-NZ 2.72Å; E141-K144 PolarHBondContact OE2-NZ 2.86Å; E141-H145 PolarHBondContact O-CD2 3.28Å
142	M	93.4	Very high	96.1	Very high	45 Å²	45	75 Å²	75	22%	0.222	37%	0.368	C	S	.	.	H	α-helix	trans	-53.1	-34.8	-179.9	177.6	-178.9	64.6	0	0	113	C138 E139 K144 H145 Y165 W361 K365	C138-M142 WeakPolarHBondContact O-CB 3.25Å; C138-M142 PolarHBondContact O-N 3.35Å; E139-M142 HydrophobicContact CG-CE 4.42Å; M142-K144 PolarHBondContact O-N 3.06Å; M142-H145 PolarHBondContact O-N 3.44Å; M142-Y165 HydrophobicContact CG-CE1 4.32Å; M142-W361 HydrophobicContact CB-CE3 4.28Å; M142-W361 HydrophobicContact CB-CZ3 4.34Å; M142-W361 HydrophobicContact SD-CZ3 4.13Å; M142-K365 HydrophobicContact SD-CD 3.66Å; M142-K365 WeakPolarHBondContact SD-CE 3.32Å; M142-K365 HydrophobicContact SD-CG 3.99Å
143	R	95	Very high	96.1	Very high	197 Å²	197	71.5 Å²	71.5	74%	0.743	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-16.3	179.4	-76.3	-179.5	-72.2	143.4	-9.2	114	E139 A140 E141 H145	E139-R143 WeakPolarHBondContact O-CG 3.41Å; E139-R143 PolarHBondContact O-N 3.46Å; E139-R143 PolarHBondContact O-NE 3.31Å; A140-R143 PolarHBondContact O-N 3.24Å; E141-R143 PolarHBondContact O-N 3.37Å; R143-H145 VanDerWaalsContact C-N 3.33Å
144	K	96.3	Very high	96.1	Very high	139 Å²	139	70 Å²	70	60%	0.604	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-16.6	177.2	-56.7	177.9	-171.6	169.1	0	112.9	E141 M142	E141-K144 VanDerWaalsContact O-CB 3.29Å; E141-K144 WeakPolarHBondContact O-CB 3.42Å; E141-K144 WeakPolarHBondContact O-CG 3.23Å; E141-K144 PolarHBondContact O-N 3.01Å; E141-K144 WeakPolarHBondContact OE1-CE 3.29Å; E141-K144 IonicContact OE1-NZ 2.77Å; E141-K144 PolarHBondContact OE1-NZ 3.07Å; E141-K144 IonicContact OE2-NZ 2.72Å; E141-K144 PolarHBondContact OE2-NZ 2.86Å; M142-K144 PolarHBondContact O-N 3.06Å
145	H	96.9	Very high	96.1	Very high	39 Å²	39	75.3 Å²	75.3	18%	0.181	38%	0.378	C	S	.	.			trans	-105.2	148.9	-173.4	-57.4	-79.5	0	0	0	112.3	E141 M142 R143 Y165 D167 A362	E141-H145 PolarHBondContact O-CD2 3.28Å; M142-H145 PolarHBondContact O-N 3.44Å; R143-H145 VanDerWaalsContact C-N 3.33Å; H145-Y165 HydrophobicContact CB-CD1 3.48Å; H145-Y165 VanDerWaalsContact CB-CD1 3.48Å; H145-Y165 HydrophobicContact CB-CD2 4.02Å; H145-Y165 HydrophobicContact CB-CE1 3.92Å; H145-Y165 HydrophobicContact CB-CE2 4.43Å; H145-Y165 HydrophobicContact CB-CG 3.54Å; H145-Y165 AromaticContact CG-CD2 3.85Å; H145-Y165 AromaticContact CG-CG 3.88Å; H145-D167 IonicContact CE1-OD2 2.78Å; H145-D167 PolarHBondContact CE1-OD2 3.09Å; H145-D167 IonicContact CG-OD2 2.93Å; H145-D167 IonicContact ND1-OD1 3.89Å; H145-D167 PolarHBondContact ND1-OD1 3.04Å; H145-D167 IonicContact ND1-OD2 3.84Å; H145-D167 PolarHBondContact ND1-OD2 3.09Å; H145-A362 PolarHBondContact CE1-O 3.06Å; H145-A362 VanDerWaalsContact CE1-O 3.24Å; H145-A362 PolarHBondContact NE2-O 2.88Å
146	T	97.5	Very high	96.2	Very high	82 Å²	82	73.5 Å²	73.5	50%	0.503	37%	0.368	S	S	.	.			trans	-106.1	159.6	174.5	61.1	0	0	0	0	111.4	Y165 D166	T146-Y165 CarbonylContact O-C 3.53Å; T146-Y165 WeakPolarHBondContact O-CA 3.47Å; T146-D166 WeakPolarHBondContact CB-OD2 3.4Å; T146-D166 PolarHBondContact O-N 2.95Å; T146-D166 PolarHBondContact OG1-OD2 3.49Å
147	I	97	Very high	96.2	Very high	45 Å²	45	69.3 Å²	69.3	23%	0.231	35%	0.349	C	S	.	.			trans	-134.6	27.9	-179.9	57.2	173.6	0	0	0	110.9	K151 L163 Y165 D166	I147-K151 HydrophobicContact CG1-CD 4.37Å; I147-K151 WeakPolarHBondContact O-CG 3.28Å; I147-K151 PolarHBondContact O-N 3.24Å; I147-L163 HydrophobicContact CB-CB 4.37Å; I147-L163 HydrophobicContact CD1-CD1 4.31Å; I147-L163 HydrophobicContact CG2-CB 4.41Å; I147-Y165 HydrophobicContact CG2-CD1 3.82Å; I147-Y165 HydrophobicContact CG2-CE1 4.43Å; I147-D166 PolarHBondContact N-OD2 3.42Å
148	S	97.2	Very high	96.3	Very high	75 Å²	75	68 Å²	68	52%	0.524	34%	0.341	S	S	.	.	H	α-helix	trans	-68.9	-38	-168.9	-59.7	0	0	0	0	111.3	D166	S148-D166 PolarHBondContact N-OD1 3.14Å; S148-D166 PolarHBondContact N-OD2 2.92Å
149	I	97.4	Very high	96.2	Very high	52 Å²	52	68.1 Å²	68.1	27%	0.267	34%	0.342	S	S	.	.	H	α-helix	trans	-68.1	-48.9	-179	-59.6	173.5	0	0	0	109.2	K151 C152 Y153 D166 Y179	I149-K151 PolarHBondContact O-N 2.83Å; I149-K151 VanDerWaalsContact O-N 3.16Å; I149-C152 WeakPolarHBondContact O-CB 3.38Å; I149-C152 PolarHBondContact O-N 3.37Å; I149-Y153 HydrophobicContact CG2-CD2 4.44Å; I149-Y153 HydrophobicContact CG2-CE2 4.15Å; I149-Y153 WeakPolarHBondContact O-CD2 3.43Å; I149-D166 WeakPolarHBondContact CB-OD1 3.42Å; I149-D166 HydrophobicContact CD1-CB 4.17Å; I149-D166 WeakPolarHBondContact CG1-OD1 3.35Å; I149-D166 PolarHBondContact N-OD1 2.91Å; I149-Y179 HydrophobicContact CG2-CD2 4.14Å
150	A	97.7	Very high	96.2	Very high	1 Å²	1	68.5 Å²	68.5	1%	0.008	35%	0.352	C	S	.	.	H	α-helix	trans	-57.5	-33.8	-178.8	0	0	0	0	0	113.8	C152 Y153 N157 L163 P164 Y179	A150-C152 VanDerWaalsContact C-N 3.26Å; A150-C152 PolarHBondContact O-N 3.48Å; A150-Y153 PolarHBondContact O-N 2.92Å; A150-N157 PolarHBondContact O-ND2 3.46Å; A150-L163 HydrophobicContact CB-CB 3.77Å; A150-L163 HydrophobicContact CB-CD1 3.99Å; A150-L163 HydrophobicContact CB-CD2 4.28Å; A150-L163 HydrophobicContact CB-CG 4.22Å; A150-P164 HydrophobicContact CB-CG 4.1Å; A150-Y179 VanDerWaalsContact CA-CE2 3.41Å; A150-Y179 HydrophobicContact CB-CE2 3.69Å; A150-Y179 WeakPolarHBondContact CB-OH 3.32Å
151	K	97.4	Very high	96.2	Very high	136 Å²	136	70.2 Å²	70.2	59%	0.591	36%	0.355	S	S	*	.	H	α-helix	trans	-65.4	-25.9	176.2	-75.4	174.2	174.6	173.9	0	113.4	I147 I149 Y153 L163	I147-K151 HydrophobicContact CG1-CD 4.37Å; I147-K151 WeakPolarHBondContact O-CG 3.28Å; I147-K151 PolarHBondContact O-N 3.24Å; I149-K151 PolarHBondContact O-N 2.83Å; I149-K151 VanDerWaalsContact O-N 3.16Å; K151-Y153 VanDerWaalsContact C-N 3.27Å; K151-Y153 PolarHBondContact O-N 2.92Å; K151-L163 HydrophobicContact CG-CD1 3.78Å
152	C	97.3	Very high	96.3	Very high	98 Å²	98	67.9 Å²	67.9	66%	0.662	35%	0.345	S	S	*	.	H	α-helix	trans	-74.6	-15.5	177.1	-62.9	0	0	0	0	113.4	I149 A150	I149-C152 WeakPolarHBondContact O-CB 3.38Å; I149-C152 PolarHBondContact O-N 3.37Å; A150-C152 VanDerWaalsContact C-N 3.26Å; A150-C152 PolarHBondContact O-N 3.48Å
153	Y	97.1	Very high	96.5	Very high	53 Å²	53	66.1 Å²	66.1	21%	0.208	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.6	45.9	-175.1	-64.8	-87.5	0	0	0	112.7	I149 A150 K151 F155 K156 N157 D177 Y179	I149-Y153 HydrophobicContact CG2-CD2 4.44Å; I149-Y153 HydrophobicContact CG2-CE2 4.15Å; I149-Y153 WeakPolarHBondContact O-CD2 3.43Å; A150-Y153 PolarHBondContact O-N 2.92Å; K151-Y153 VanDerWaalsContact C-N 3.27Å; K151-Y153 PolarHBondContact O-N 2.92Å; Y153-F155 HydrophobicContact CD1-CE1 4.29Å; Y153-F155 HydrophobicContact CD1-CZ 4.01Å; Y153-F155 PolarHBondContact O-N 3.41Å; Y153-F155 VanDerWaalsContact O-N 3.1Å; Y153-K156 HydrophobicContact CD1-CD 4.35Å; Y153-K156 PolarHBondContact O-N 3.12Å; Y153-N157 PolarHBondContact O-ND2 3.48Å; Y153-D177 HydrophobicContact CE1-CB 3.8Å; Y153-D177 WeakPolarHBondContact CE1-OD1 3.21Å; Y153-Y179 VanDerWaalsContact CB-CE1 3.49Å; Y153-Y179 HydrophobicContact CD1-CD1 4.18Å; Y153-Y179 HydrophobicContact CD1-CG 4.3Å; Y153-Y179 AromaticContact CD2-CD1 3.89Å; Y153-Y179 HydrophobicContact CD2-CD1 3.89Å; Y153-Y179 AromaticContact CD2-CD2 3.95Å; Y153-Y179 HydrophobicContact CD2-CD2 3.95Å; Y153-Y179 AromaticContact CD2-CG 3.49Å; Y153-Y179 HydrophobicContact CD2-CG 3.49Å; Y153-Y179 VanDerWaalsContact CD2-CG 3.49Å; Y153-Y179 HydrophobicContact CE2-CG 4.11Å; Y153-Y179 AromaticContact CG-CD1 3.53Å; Y153-Y179 HydrophobicContact CG-CD1 3.53Å; Y153-Y179 HydrophobicContact CG-CD2 4.44Å; Y153-Y179 HydrophobicContact CG-CE1 4.23Å; Y153-Y179 AromaticContact CG-CG 3.62Å; Y153-Y179 HydrophobicContact CG-CG 3.62Å
154	S	95.5	Very high	96.7	Very high	85 Å²	85	56.8 Å²	56.8	59%	0.594	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-52.3	-36.6	-175.6	59.1	0	0	0	0	114.1	K156 N157	S154-K156 PolarHBondContact O-N 3.32Å; S154-N157 PolarHBondContact O-N 3.48Å
155	F	95.3	Very high	96.8	Very high	113 Å²	113	50.3 Å²	50.3	50%	0.496	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-69.1	-15.1	178.5	62	-87.6	0	0	0	114.6	Y153 Q204	Y153-F155 HydrophobicContact CD1-CE1 4.29Å; Y153-F155 HydrophobicContact CD1-CZ 4.01Å; Y153-F155 PolarHBondContact O-N 3.41Å; Y153-F155 VanDerWaalsContact O-N 3.1Å; F155-Q204 HydrophobicContact CD2-CB 4.3Å; F155-Q204 HydrophobicContact CD2-CG 4.47Å
156	K	97.2	Very high	96.8	Very high	6 Å²	6	49.8 Å²	49.8	3%	0.026	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-95.3	-1.9	172.5	-65	-174.2	176.3	-166.1	0	112.3	Y153 S154 D177 Y179 Q199 D208	Y153-K156 HydrophobicContact CD1-CD 4.35Å; Y153-K156 PolarHBondContact O-N 3.12Å; S154-K156 PolarHBondContact O-N 3.32Å; K156-D177 WeakPolarHBondContact CE-OD2 3.35Å; K156-D177 IonicContact NZ-OD1 3.7Å; K156-D177 PolarHBondContact NZ-OD1 3.33Å; K156-D177 IonicContact NZ-OD2 2.71Å; K156-D177 PolarHBondContact NZ-OD2 2.95Å; K156-Y179 HydrophobicContact CB-CD1 4.05Å; K156-Y179 HydrophobicContact CB-CE1 3.91Å; K156-Y179 HydrophobicContact CD-CD1 3.9Å; K156-Y179 PolarHBondContact NZ-O 3.17Å; K156-Q199 PolarHBondContact O-NE2 3.09Å; K156-D208 WeakPolarHBondContact CE-OD2 3.28Å; K156-D208 IonicContact NZ-OD1 2.87Å; K156-D208 IonicContact NZ-OD2 3.53Å; K156-D208 PolarHBondContact NZ-OD2 3.49Å
157	N	97.3	Very high	96.8	Very high	21 Å²	21	51 Å²	51	11%	0.112	28%	0.275	C	S	.	.			trans	-105.8	133.2	-178.1	-61.4	-38.3	0	0	0	111	A150 Y153 S154 L163 Y179 N181	A150-N157 PolarHBondContact O-ND2 3.46Å; Y153-N157 PolarHBondContact O-ND2 3.48Å; S154-N157 PolarHBondContact O-N 3.48Å; N157-L163 HydrophobicContact CB-CD2 3.97Å; N157-L163 VanDerWaalsContact CG-CD2 3.49Å; N157-L163 WeakPolarHBondContact ND2-CD2 3.45Å; N157-Y179 WeakPolarHBondContact OD1-CE1 3.33Å; N157-Y179 PolarHBondContact OD1-OH 3.38Å; N157-N181 PolarHBondContact OD1-ND2 2.93Å
158	R	95.8	Very high	96.9	Very high	57 Å²	57	49.6 Å²	49.6	22%	0.215	27%	0.269	C	S	.	.	S	Bend	trans	-77.5	-33.2	173.4	-74.4	-174.6	174.1	-89.2	0.3	113	A200 P201 T202 L325 Y326	R158-A200 WeakPolarHBondContact CD-O 3.44Å; R158-A200 PolarHBondContact NE-O 2.85Å; R158-P201 PolarHBondContact NH2-O 2.83Å; R158-T202 HydrophobicContact CG-CG2 3.71Å; R158-L325 WeakPolarHBondContact CD-O 3.38Å; R158-Y326 HydrophobicContact CB-CD1 3.88Å; R158-Y326 HydrophobicContact CB-CE1 4.03Å
159	A	95.2	Very high	96.9	Very high	4 Å²	4	47.5 Å²	47.5	3%	0.033	25%	0.249	C	C	.	.			trans	-137.5	118.8	-174.7	0	0	0	0	0	109.3	E161 L162 Y326	A159-E161 WeakPolarHBondContact CB-OE1 3.21Å; A159-E161 PolarHBondContact O-N 2.88Å; A159-L162 HydrophobicContact CB-CB 4.02Å; A159-L162 HydrophobicContact CB-CD1 4.08Å; A159-L162 HydrophobicContact CB-CG 4.14Å; A159-L162 PolarHBondContact O-N 2.91Å; A159-Y326 HydrophobicContact CB-CD1 3.7Å; A159-Y326 HydrophobicContact CB-CE1 3.95Å
160	P	95.2	Very high	97	Very high	100 Å²	100	45 Å²	45	65%	0.649	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-18.6	-178	26.7	-35.3	0	0	0	113.8	L163	P160-L163 WeakPolarHBondContact O-CG 3.35Å
161	E	94.8	Very high	97	Very high	67 Å²	67	47.5 Å²	47.5	31%	0.313	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-12.7	179.2	75	-70.4	174.5	0	0	114.1	A159	A159-E161 WeakPolarHBondContact CB-OE1 3.21Å; A159-E161 PolarHBondContact O-N 2.88Å
162	L	96.4	Very high	97	Very high	11 Å²	11	41.3 Å²	41.3	6%	0.058	23%	0.225	C	C	.	.			trans	-115.2	70	-178	-59.1	177.5	0	0	0	110.5	A159 N181 Y326 R366	A159-L162 HydrophobicContact CB-CB 4.02Å; A159-L162 HydrophobicContact CB-CD1 4.08Å; A159-L162 HydrophobicContact CB-CG 4.14Å; A159-L162 PolarHBondContact O-N 2.91Å; L162-N181 PolarHBondContact O-ND2 2.88Å; L162-N181 VanDerWaalsContact O-ND2 3.08Å; L162-Y326 VanDerWaalsContact CD1-CB 3.41Å; L162-Y326 HydrophobicContact CD1-CD1 4.44Å; L162-Y326 HydrophobicContact CD1-CD2 4.36Å; L162-Y326 HydrophobicContact CD1-CG 3.86Å; L162-R366 HydrophobicContact CD2-CB 4.08Å
163	L	97.5	Very high	97	Very high	8 Å²	8	43.5 Å²	43.5	4%	0.042	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-103.1	145.7	-179.6	-57.9	-173.7	0	0	0	110.9	I147 A150 K151 N157 P160	I147-L163 HydrophobicContact CB-CB 4.37Å; I147-L163 HydrophobicContact CD1-CD1 4.31Å; I147-L163 HydrophobicContact CG2-CB 4.41Å; A150-L163 HydrophobicContact CB-CB 3.77Å; A150-L163 HydrophobicContact CB-CD1 3.99Å; A150-L163 HydrophobicContact CB-CD2 4.28Å; A150-L163 HydrophobicContact CB-CG 4.22Å; K151-L163 HydrophobicContact CG-CD1 3.78Å; N157-L163 HydrophobicContact CB-CD2 3.97Å; N157-L163 VanDerWaalsContact CG-CD2 3.49Å; N157-L163 WeakPolarHBondContact ND2-CD2 3.45Å; P160-L163 WeakPolarHBondContact O-CG 3.35Å
164	P	98.1	Very high	96.8	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-68.9	151.3	172.6	32.8	-36	0	0	0	110	A150 R169 Y179 N181 S183	A150-P164 HydrophobicContact CB-CG 4.1Å; P164-R169 HydrophobicContact CB-CB 4.03Å; P164-R169 HydrophobicContact CG-CB 4.27Å; P164-Y179 HydrophobicContact CG-CE2 4.06Å; P164-N181 WeakPolarHBondContact CD-OD1 3.33Å; P164-S183 WeakPolarHBondContact CB-OG 3.3Å
165	Y	98.3	Very high	96.7	Very high	3 Å²	3	42.5 Å²	42.5	1%	0.012	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-71.5	148.4	168.9	-55.4	-47	0	0	0	111.1	M142 H145 T146 I147 D167 S168 R169 W361 S363 K365	M142-Y165 HydrophobicContact CG-CE1 4.32Å; H145-Y165 HydrophobicContact CB-CD1 3.48Å; H145-Y165 VanDerWaalsContact CB-CD1 3.48Å; H145-Y165 HydrophobicContact CB-CD2 4.02Å; H145-Y165 HydrophobicContact CB-CE1 3.92Å; H145-Y165 HydrophobicContact CB-CE2 4.43Å; H145-Y165 HydrophobicContact CB-CG 3.54Å; H145-Y165 AromaticContact CG-CD2 3.85Å; H145-Y165 AromaticContact CG-CG 3.88Å; T146-Y165 CarbonylContact O-C 3.53Å; T146-Y165 WeakPolarHBondContact O-CA 3.47Å; I147-Y165 HydrophobicContact CG2-CD1 3.82Å; I147-Y165 HydrophobicContact CG2-CE1 4.43Å; Y165-D167 WeakPolarHBondContact CB-OD1 3.44Å; Y165-D167 PolarHBondContact O-N 3.46Å; Y165-S168 PolarHBondContact O-N 2.97Å; Y165-R169 VanDerWaalsContact O-CB 3.29Å; Y165-R169 WeakPolarHBondContact O-CB 3.44Å; Y165-R169 PolarHBondContact O-N 2.95Å; Y165-W361 WeakPolarHBondContact CE2-O 3.37Å; Y165-W361 PolarHBondContact OH-O 3.23Å; Y165-S363 WeakPolarHBondContact CD2-O 3.25Å; Y165-K365 HydrophobicContact CE1-CB 4.06Å; Y165-K365 WeakPolarHBondContact OH-CA 3.35Å; Y165-K365 WeakPolarHBondContact OH-CB 3.47Å; Y165-K365 PolarHBondContact OH-N 3.39Å
166	D	98.2	Very high	96.6	Very high	28 Å²	28	46.1 Å²	46.1	15%	0.15	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-27.7	-175.8	-65.6	-32.1	0	0	0	112.5	T146 I147 S148 I149	T146-D166 WeakPolarHBondContact CB-OD2 3.4Å; T146-D166 PolarHBondContact O-N 2.95Å; T146-D166 PolarHBondContact OG1-OD2 3.49Å; I147-D166 PolarHBondContact N-OD2 3.42Å; S148-D166 PolarHBondContact N-OD1 3.14Å; S148-D166 PolarHBondContact N-OD2 2.92Å; I149-D166 WeakPolarHBondContact CB-OD1 3.42Å; I149-D166 HydrophobicContact CD1-CB 4.17Å; I149-D166 WeakPolarHBondContact CG1-OD1 3.35Å; I149-D166 PolarHBondContact N-OD1 2.91Å
167	D	97.7	Very high	96.6	Very high	109 Å²	109	47.7 Å²	47.7	58%	0.583	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-27.8	-178.5	57.9	-5.9	0	0	0	114	H145 Y165	H145-D167 IonicContact CE1-OD2 2.78Å; H145-D167 PolarHBondContact CE1-OD2 3.09Å; H145-D167 IonicContact CG-OD2 2.93Å; H145-D167 IonicContact ND1-OD1 3.89Å; H145-D167 PolarHBondContact ND1-OD1 3.04Å; H145-D167 IonicContact ND1-OD2 3.84Å; H145-D167 PolarHBondContact ND1-OD2 3.09Å; Y165-D167 WeakPolarHBondContact CB-OD1 3.44Å; Y165-D167 PolarHBondContact O-N 3.46Å
168	S	97.9	Very high	96.6	Very high	15 Å²	15	49 Å²	49	11%	0.105	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-10.3	179.1	75.5	0	0	0	0	113.9	Y165 S183 F184 S363	Y165-S168 PolarHBondContact O-N 2.97Å; S168-S183 CarbonylContact O-C 3.55Å; S168-S183 WeakPolarHBondContact O-CA 3.39Å; S168-F184 PolarHBondContact O-N 3.03Å; S168-S363 VanDerWaalsContact CB-O 3.29Å; S168-S363 WeakPolarHBondContact CB-O 3.34Å; S168-S363 PolarHBondContact OG-O 3Å
169	R	98	Very high	96.7	Very high	30 Å²	30	46.3 Å²	46.3	11%	0.113	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	154.6	-178	70.2	-179	-177.2	96.5	-3.5	112.4	P164 Y165 V171 D178 A182	P164-R169 HydrophobicContact CB-CB 4.03Å; P164-R169 HydrophobicContact CG-CB 4.27Å; Y165-R169 VanDerWaalsContact O-CB 3.29Å; Y165-R169 WeakPolarHBondContact O-CB 3.44Å; Y165-R169 PolarHBondContact O-N 2.95Å; R169-V171 HydrophobicContact CG-CG2 4.49Å; R169-D178 IonicContact CZ-OD2 3.8Å; R169-D178 PolarHBondContact NH1-O 3.29Å; R169-D178 IonicContact NH1-OD1 3.96Å; R169-D178 IonicContact NH1-OD2 2.68Å; R169-D178 PolarHBondContact NH1-OD2 2.99Å; R169-D178 IonicContact NH2-OD2 2.7Å; R169-D178 PolarHBondContact NH2-OD2 2.94Å; R169-A182 VanDerWaalsContact CA-O 3.27Å; R169-A182 WeakPolarHBondContact CA-O 3.43Å
170	I	98.4	Very high	96.9	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	134.9	165.6	-50.1	-60.5	0	0	0	109.8	I180 A182 F184 V196 M212 Q216	I170-I180 HydrophobicContact CB-CG2 3.9Å; I170-I180 HydrophobicContact CG2-CG2 4.28Å; I170-A182 HydrophobicContact CB-CB 4.34Å; I170-A182 HydrophobicContact CG1-CB 3.69Å; I170-A182 PolarHBondContact N-O 2.67Å; I170-F184 HydrophobicContact CD1-CB 4.34Å; I170-F184 HydrophobicContact CD1-CD1 3.72Å; I170-F184 HydrophobicContact CD1-CD2 3.18Å; I170-F184 HydrophobicContact CD1-CE1 3.69Å; I170-F184 HydrophobicContact CD1-CE2 3.15Å; I170-F184 HydrophobicContact CD1-CG 3.47Å; I170-F184 VanDerWaalsContact CD1-CG 3.47Å; I170-F184 HydrophobicContact CD1-CZ 3.41Å; I170-F184 VanDerWaalsContact CD1-CZ 3.41Å; I170-V196 HydrophobicContact CD1-CG1 4.22Å; I170-V196 HydrophobicContact CD1-CG2 4.08Å; I170-V196 HydrophobicContact CG1-CG1 4.08Å; I170-M212 HydrophobicContact CB-SD 4.3Å; I170-M212 HydrophobicContact CG1-SD 3.94Å; I170-M212 HydrophobicContact CG2-CG 3.99Å; I170-M212 HydrophobicContact CG2-SD 4.32Å; I170-Q216 HydrophobicContact CG2-CG 4.23Å
171	V	98.4	Very high	97	Very high	54 Å²	54	41.6 Å²	41.6	33%	0.327	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	111.1	175.9	-174.6	0	0	0	0	108.6	R169 Q173 D178	R169-V171 HydrophobicContact CG-CG2 4.49Å; V171-Q173 PolarHBondContact O-NE2 3.34Å; V171-D178 HydrophobicContact CG1-CB 3.82Å
172	L	98.1	Very high	97.2	Very high	6 Å²	6	38.4 Å²	38.4	3%	0.031	20%	0.2	C	C	.	.			trans	-74.9	134.6	177.3	-61.7	173.3	0	0	0	110.5	A175 D178 I180 D208 M212 E215	L172-A175 HydrophobicContact CB-CB 3.88Å; L172-A175 HydrophobicContact CD1-CB 3.96Å; L172-D178 PolarHBondContact N-O 3.38Å; L172-I180 HydrophobicContact CD1-CB 4.01Å; L172-I180 HydrophobicContact CD1-CG2 4.12Å; L172-I180 HydrophobicContact CD2-CG2 4.2Å; L172-I180 HydrophobicContact CG-CB 4.44Å; L172-I180 HydrophobicContact CG-CG2 4Å; L172-D208 HydrophobicContact CD1-CB 3.67Å; L172-M212 HydrophobicContact CD2-CB 3.81Å; L172-E215 WeakPolarHBondContact CA-OE2 3.07Å
173	Q	95.9	Very high	97.3	Very high	143 Å²	143	37.9 Å²	37.9	67%	0.668	20%	0.197	S	C	*	.	S	Bend	trans	-93.7	-32.8	-173.7	-61.1	-58.5	-48.1	0	0	112.9	V171 E215	V171-Q173 PolarHBondContact O-NE2 3.34Å; Q173-E215 PolarHBondContact N-OE1 3.17Å; Q173-E215 PolarHBondContact N-OE2 3.44Å
174	T	93.4	Very high	97.3	Very high	87 Å²	87	40 Å²	40	53%	0.534	21%	0.206	S	C	.	.	S	Bend	trans	-118.5	6.9	-170.5	64.8	0	0	0	0	114.6	L211 E215	T174-L211 WeakPolarHBondContact OG1-CD1 3.28Å; T174-E215 WeakPolarHBondContact CB-OE1 3.17Å; T174-E215 PolarHBondContact N-OE1 3.2Å; T174-E215 PolarHBondContact OG1-OE1 3.42Å
175	A	93.6	Very high	97.3	Very high	30 Å²	30	40 Å²	40	25%	0.248	21%	0.206	C	C	.	.	S	Bend	trans	-78.1	175.6	173	0	0	0	0	0	112.3	L172 D177 L211	L172-A175 HydrophobicContact CB-CB 3.88Å; L172-A175 HydrophobicContact CD1-CB 3.96Å; A175-D177 VanDerWaalsContact C-N 3.29Å; A175-D177 WeakPolarHBondContact CB-O 3.49Å; A175-L211 HydrophobicContact CB-CD2 3.65Å
176	K	93.4	Very high	97.2	Very high	189 Å²	189	44.8 Å²	44.8	82%	0.822	23%	0.227	S	C	*	.	S	Bend	trans	-69.7	-29.9	176.1	-64.2	177.8	-175.6	172.1	0	112.7
177	D	95.9	Very high	96.9	Very high	39 Å²	39	49 Å²	49	21%	0.209	25%	0.249	C	C	.	.	S	Bend	trans	-139.6	161.5	172.9	62.6	88.2	0	0	0	107.7	Y153 K156 A175 Y179	Y153-D177 HydrophobicContact CE1-CB 3.8Å; Y153-D177 WeakPolarHBondContact CE1-OD1 3.21Å; K156-D177 WeakPolarHBondContact CE-OD2 3.35Å; K156-D177 IonicContact NZ-OD1 3.7Å; K156-D177 PolarHBondContact NZ-OD1 3.33Å; K156-D177 IonicContact NZ-OD2 2.71Å; K156-D177 PolarHBondContact NZ-OD2 2.95Å; A175-D177 VanDerWaalsContact C-N 3.29Å; A175-D177 WeakPolarHBondContact CB-O 3.49Å; D177-Y179 VanDerWaalsContact C-N 3.27Å; D177-Y179 PolarHBondContact O-N 3.45Å; D177-Y179 WeakPolarHBondContact OD1-CB 3.45Å; D177-Y179 PolarHBondContact OD1-N 3.36Å; D177-Y179 VanDerWaalsContact OD1-N 3.16Å
178	D	97.6	Very high	96.7	Very high	49 Å²	49	43.9 Å²	43.9	26%	0.262	22%	0.222	S	C	.	.	S	Bend	trans	-88.3	8.4	-171.9	76.3	-30.5	0	0	0	113.4	R169 V171 L172	R169-D178 IonicContact CZ-OD2 3.8Å; R169-D178 PolarHBondContact NH1-O 3.29Å; R169-D178 IonicContact NH1-OD1 3.96Å; R169-D178 IonicContact NH1-OD2 2.68Å; R169-D178 PolarHBondContact NH1-OD2 2.99Å; R169-D178 IonicContact NH2-OD2 2.7Å; R169-D178 PolarHBondContact NH2-OD2 2.94Å; V171-D178 HydrophobicContact CG1-CB 3.82Å; L172-D178 PolarHBondContact N-O 3.38Å
179	Y	98.5	Very high	96.4	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	128.1	-169.1	-177.3	-97	0	0	0	113.9	I149 A150 Y153 K156 N157 P164 D177 N181	I149-Y179 HydrophobicContact CG2-CD2 4.14Å; A150-Y179 VanDerWaalsContact CA-CE2 3.41Å; A150-Y179 HydrophobicContact CB-CE2 3.69Å; A150-Y179 WeakPolarHBondContact CB-OH 3.32Å; Y153-Y179 VanDerWaalsContact CB-CE1 3.49Å; Y153-Y179 HydrophobicContact CD1-CD1 4.18Å; Y153-Y179 HydrophobicContact CD1-CG 4.3Å; Y153-Y179 AromaticContact CD2-CD1 3.89Å; Y153-Y179 HydrophobicContact CD2-CD1 3.89Å; Y153-Y179 AromaticContact CD2-CD2 3.95Å; Y153-Y179 HydrophobicContact CD2-CD2 3.95Å; Y153-Y179 AromaticContact CD2-CG 3.49Å; Y153-Y179 HydrophobicContact CD2-CG 3.49Å; Y153-Y179 VanDerWaalsContact CD2-CG 3.49Å; Y153-Y179 HydrophobicContact CE2-CG 4.11Å; Y153-Y179 AromaticContact CG-CD1 3.53Å; Y153-Y179 HydrophobicContact CG-CD1 3.53Å; Y153-Y179 HydrophobicContact CG-CD2 4.44Å; Y153-Y179 HydrophobicContact CG-CE1 4.23Å; Y153-Y179 AromaticContact CG-CG 3.62Å; Y153-Y179 HydrophobicContact CG-CG 3.62Å; K156-Y179 HydrophobicContact CB-CD1 4.05Å; K156-Y179 HydrophobicContact CB-CE1 3.91Å; K156-Y179 HydrophobicContact CD-CD1 3.9Å; K156-Y179 PolarHBondContact NZ-O 3.17Å; N157-Y179 WeakPolarHBondContact OD1-CE1 3.33Å; N157-Y179 PolarHBondContact OD1-OH 3.38Å; P164-Y179 HydrophobicContact CG-CE2 4.06Å; D177-Y179 VanDerWaalsContact C-N 3.27Å; D177-Y179 PolarHBondContact O-N 3.45Å; D177-Y179 WeakPolarHBondContact OD1-CB 3.45Å; D177-Y179 PolarHBondContact OD1-N 3.36Å; D177-Y179 VanDerWaalsContact OD1-N 3.16Å; Y179-N181 HydrophobicContact CE1-CB 4.42Å
180	I	98.5	Very high	96	Very high	5 Å²	5	50.5 Å²	50.5	3%	0.026	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	144.6	160.3	-177.1	163.7	0	0	0	109.1	I170 L172 A182 D208 F209 M212	I170-I180 HydrophobicContact CB-CG2 3.9Å; I170-I180 HydrophobicContact CG2-CG2 4.28Å; L172-I180 HydrophobicContact CD1-CB 4.01Å; L172-I180 HydrophobicContact CD1-CG2 4.12Å; L172-I180 HydrophobicContact CD2-CG2 4.2Å; L172-I180 HydrophobicContact CG-CB 4.44Å; L172-I180 HydrophobicContact CG-CG2 4Å; I180-A182 HydrophobicContact CG1-CB 4.46Å; I180-A182 HydrophobicContact CG2-CB 4.26Å; I180-A182 PolarHBondContact O-N 3.41Å; I180-D208 HydrophobicContact CB-CB 4.5Å; I180-D208 HydrophobicContact CD1-CB 4.15Å; I180-F209 HydrophobicContact CD1-CB 4.13Å; I180-M212 HydrophobicContact CD1-CB 4.05Å; I180-M212 HydrophobicContact CD1-CE 4.23Å; I180-M212 HydrophobicContact CD1-SD 3.87Å; I180-M212 HydrophobicContact CG2-SD 4.08Å
181	N	98.5	Very high	95.5	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.005	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	77.1	175.3	-171.7	-33.2	0	0	0	110.8	N157 L162 P164 Y179 T198 Q199 R364	N157-N181 PolarHBondContact OD1-ND2 2.93Å; L162-N181 PolarHBondContact O-ND2 2.88Å; L162-N181 VanDerWaalsContact O-ND2 3.08Å; P164-N181 WeakPolarHBondContact CD-OD1 3.33Å; Y179-N181 HydrophobicContact CE1-CB 4.42Å; N181-T198 PolarHBondContact O-OG1 3.41Å; N181-Q199 HydrophobicContact CB-CG 3.95Å; N181-Q199 PolarHBondContact ND2-OE1 3.17Å; N181-Q199 PolarHBondContact O-N 3.42Å; N181-R364 PolarHBondContact OD1-NH1 2.92Å; N181-R364 PolarHBondContact OD1-NH2 3.37Å
182	A	98.6	Very high	95.1	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	151.7	177.1	0	0	0	0	0	110.1	R169 I170 I180 V196 V197 M212	R169-A182 VanDerWaalsContact CA-O 3.27Å; R169-A182 WeakPolarHBondContact CA-O 3.43Å; I170-A182 HydrophobicContact CB-CB 4.34Å; I170-A182 HydrophobicContact CG1-CB 3.69Å; I170-A182 PolarHBondContact N-O 2.67Å; I180-A182 HydrophobicContact CG1-CB 4.46Å; I180-A182 HydrophobicContact CG2-CB 4.26Å; I180-A182 PolarHBondContact O-N 3.41Å; A182-V196 HydrophobicContact CB-CG1 4.12Å; A182-V197 CarbonylContact C-O 3.55Å; A182-V197 VanDerWaalsContact CA-O 3.28Å; A182-V197 WeakPolarHBondContact CA-O 3.3Å; A182-M212 HydrophobicContact CB-CE 4.37Å; A182-M212 HydrophobicContact CB-SD 3.52Å; A182-M212 VanDerWaalsContact CB-SD 3.52Å
183	S	98.7	Very high	94.9	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	140	177.5	-56.2	0	0	0	0	110.7	P164 S168 V196 V197 R364	P164-S183 WeakPolarHBondContact CB-OG 3.3Å; S168-S183 CarbonylContact O-C 3.55Å; S168-S183 WeakPolarHBondContact O-CA 3.39Å; S183-V196 WeakPolarHBondContact O-CA 3.12Å; S183-V197 PolarHBondContact N-O 3.41Å; S183-V197 PolarHBondContact O-N 2.72Å; S183-R364 PolarHBondContact OG-NH1 3.36Å; S183-R364 VanDerWaalsContact OG-NH1 3.15Å
184	F	98.1	Very high	95	Very high	53 Å²	53	46.1 Å²	46.1	23%	0.232	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	131.3	160.5	-82.3	-60.5	0	0	0	109.5	S168 I170 V196 Q216 S363	S168-F184 PolarHBondContact O-N 3.03Å; I170-F184 HydrophobicContact CD1-CB 4.34Å; I170-F184 HydrophobicContact CD1-CD1 3.72Å; I170-F184 HydrophobicContact CD1-CD2 3.18Å; I170-F184 HydrophobicContact CD1-CE1 3.69Å; I170-F184 HydrophobicContact CD1-CE2 3.15Å; I170-F184 HydrophobicContact CD1-CG 3.47Å; I170-F184 VanDerWaalsContact CD1-CG 3.47Å; I170-F184 HydrophobicContact CD1-CZ 3.41Å; I170-F184 VanDerWaalsContact CD1-CZ 3.41Å; F184-V196 HydrophobicContact CD1-CG2 3.8Å; F184-V196 HydrophobicContact CE1-CG2 3.63Å; F184-Q216 HydrophobicContact CZ-CG 4.27Å; F184-S363 WeakPolarHBondContact O-CB 3.42Å
185	V	97.6	Very high	95.2	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	115.4	172.9	-179.3	0	0	0	0	106.8	I188 F195 V197 L360	V185-I188 HydrophobicContact CG1-CG2 3.42Å; V185-I188 VanDerWaalsContact CG1-CG2 3.42Å; V185-F195 HydrophobicContact CB-CB 4.21Å; V185-F195 PolarHBondContact N-O 2.94Å; V185-F195 PolarHBondContact O-N 3.36Å; V185-V197 HydrophobicContact CB-CG2 4.38Å; V185-V197 HydrophobicContact CG2-CB 4.17Å; V185-V197 HydrophobicContact CG2-CG2 3.61Å; V185-L360 HydrophobicContact CG1-CD2 3.73Å
186	K	95.5	Very high	95.4	Very high	103 Å²	103	40.6 Å²	40.6	45%	0.448	20%	0.199	S	C	.	.			trans	-125.1	156.2	-173.2	-59.6	-176.7	-179.8	174.9	0	110.4	I188 N194	K186-I188 PolarHBondContact O-N 2.84Å; K186-I188 VanDerWaalsContact O-N 3.13Å; K186-N194 WeakPolarHBondContact CA-OD1 3.4Å; K186-N194 WeakPolarHBondContact CB-OD1 3.25Å; K186-N194 HydrophobicContact CG-CB 4.39Å; K186-N194 WeakPolarHBondContact CG-OD1 3.35Å
187	N	92.1	Very high	95.7	Very high	116 Å²	116	31.6 Å²	31.6	62%	0.62	16%	0.16	S	C	*	.			trans	57	28.8	168.9	-52.2	-34	0	0	0	115.3	C189 K359	N187-C189 VanDerWaalsContact C-N 3.25Å; N187-C189 PolarHBondContact O-N 2.86Å; N187-K359 VanDerWaalsContact O-CD 3.28Å; N187-K359 WeakPolarHBondContact O-CD 2.97Å; N187-K359 PolarHBondContact O-NZ 3.05Å
188	I	94.6	Very high	95.8	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.01	15%	0.15	C	C	.	.	S	Bend	trans	-65.8	-34.2	-179.6	72.1	174.7	0	0	0	111.6	V185 K186 F195 C335 S339 M356 K359 L360	V185-I188 HydrophobicContact CG1-CG2 3.42Å; V185-I188 VanDerWaalsContact CG1-CG2 3.42Å; K186-I188 PolarHBondContact O-N 2.84Å; K186-I188 VanDerWaalsContact O-N 3.13Å; I188-F195 HydrophobicContact CD1-CD2 4.1Å; I188-F195 HydrophobicContact CD1-CE2 3.5Å; I188-F195 VanDerWaalsContact CD1-CE2 3.5Å; I188-F195 HydrophobicContact CD1-CZ 4.41Å; I188-F195 HydrophobicContact CG1-CE2 4.09Å; I188-C335 HydrophobicContact CD1-CB 4.11Å; I188-S339 VanDerWaalsContact CD1-OG 3.28Å; I188-S339 WeakPolarHBondContact CD1-OG 3.22Å; I188-S339 WeakPolarHBondContact CG1-OG 3.05Å; I188-M356 HydrophobicContact CD1-CE 4.47Å; I188-M356 HydrophobicContact CG1-CE 4.49Å; I188-K359 HydrophobicContact CG2-CB 4.4Å; I188-K359 WeakPolarHBondContact O-CD 3.49Å; I188-L360 HydrophobicContact CD1-CD2 4.29Å; I188-L360 HydrophobicContact CG2-CD2 4.25Å; I188-L360 HydrophobicContact CG2-CG 4.32Å
189	C	91.9	Very high	95.8	Very high	9 Å²	9	27.7 Å²	27.7	6%	0.061	14%	0.139	C	C	.	.	S	Bend	trans	-133.5	157.4	172.2	-163.9	0	0	0	0	108.7	N187 N191 G192 E343 M356	N187-C189 VanDerWaalsContact C-N 3.25Å; N187-C189 PolarHBondContact O-N 2.86Å; C189-N191 PolarHBondContact O-N 3.01Å; C189-G192 PolarHBondContact O-N 2.99Å; C189-E343 PolarHBondContact SG-OE2 3.34Å; C189-M356 HydrophobicContact CB-CE 4.26Å
190	E	88.2	Confident	95.8	Very high	174 Å²	174	27.7 Å²	27.7	81%	0.813	14%	0.139	S	C	*	.	S	Bend	trans	-61.1	-46.8	-172.9	-175.3	171.2	-178.1	0	0	112.5
191	N	88.5	Confident	95.7	Very high	61 Å²	61	27.6 Å²	27.6	33%	0.326	14%	0.139	S	C	.	.	S	Bend	trans	-104.5	8.5	177.9	-53.5	-79.8	0	0	0	112.4	C189 H342 E343 N347	C189-N191 PolarHBondContact O-N 3.01Å; N191-H342 PolarHBondContact O-CD2 3.45Å; N191-H342 PolarHBondContact O-NE2 2.82Å; N191-H342 VanDerWaalsContact O-NE2 3.13Å; N191-E343 VanDerWaalsContact CB-OE2 3.29Å; N191-E343 WeakPolarHBondContact CB-OE2 3.33Å; N191-E343 PolarHBondContact N-OE2 3.35Å; N191-E343 VanDerWaalsContact N-OE2 3.14Å; N191-E343 PolarHBondContact ND2-OE1 3.06Å; N191-E343 VanDerWaalsContact ND2-OE1 3.1Å; N191-E343 PolarHBondContact ND2-OE2 2.77Å; N191-N347 PolarHBondContact ND2-ND2 2.59Å
192	G	89.8	Confident	95.6	Very high	14 Å²	14	28 Å²	28	14%	0.144	14%	0.141	C	C	.	.	P	Polyproline II helix	trans	-68.4	154.5	179.6	0	0	0	0	0	112.3	C189	C189-G192 PolarHBondContact O-N 2.99Å
193	P	94.1	Very high	95.4	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.006	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-66.7	162.6	173.6	33.8	-40.5	0	0	0	111.4	F195 Y310 I320 F338	P193-F195 HydrophobicContact CB-CZ 4.48Å; P193-F195 HydrophobicContact CG-CD1 4.42Å; P193-F195 HydrophobicContact CG-CD2 4.47Å; P193-F195 HydrophobicContact CG-CE1 3.67Å; P193-F195 HydrophobicContact CG-CE2 3.71Å; P193-F195 HydrophobicContact CG-CZ 3.28Å; P193-F195 WeakPolarHBondContact O-CE2 3.12Å; P193-Y310 HydrophobicContact CB-CD2 4.04Å; P193-Y310 HydrophobicContact CB-CE1 4.21Å; P193-Y310 HydrophobicContact CB-CE2 3.5Å; P193-Y310 VanDerWaalsContact CB-CE2 3.5Å; P193-I320 HydrophobicContact CB-CD1 3.85Å; P193-I320 HydrophobicContact CB-CG1 4.22Å; P193-I320 HydrophobicContact CG-CD1 3.84Å; P193-F338 HydrophobicContact CB-CE1 4.48Å; P193-F338 HydrophobicContact CG-CD1 3.73Å; P193-F338 HydrophobicContact CG-CE1 3.5Å
194	N	96.9	Very high	95.1	Very high	36 Å²	36	36 Å²	36	19%	0.193	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-77.5	150.9	158.2	-65.5	-45.9	0	0	0	109.7	K186 A319 I320	K186-N194 WeakPolarHBondContact CA-OD1 3.4Å; K186-N194 WeakPolarHBondContact CB-OD1 3.25Å; K186-N194 HydrophobicContact CG-CB 4.39Å; K186-N194 WeakPolarHBondContact CG-OD1 3.35Å; N194-A319 HydrophobicContact CB-CB 4.12Å; N194-A319 CarbonylContact O-C 3.54Å; N194-A319 WeakPolarHBondContact O-CA 3.36Å; N194-I320 PolarHBondContact O-N 2.93Å
195	F	98.5	Very high	95	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	153.2	175.9	-55.4	-86.8	0	0	0	111.9	V185 I188 P193 V197 I320 V322 F334 C335 F338 S339	V185-F195 HydrophobicContact CB-CB 4.21Å; V185-F195 PolarHBondContact N-O 2.94Å; V185-F195 PolarHBondContact O-N 3.36Å; I188-F195 HydrophobicContact CD1-CD2 4.1Å; I188-F195 HydrophobicContact CD1-CE2 3.5Å; I188-F195 VanDerWaalsContact CD1-CE2 3.5Å; I188-F195 HydrophobicContact CD1-CZ 4.41Å; I188-F195 HydrophobicContact CG1-CE2 4.09Å; P193-F195 HydrophobicContact CB-CZ 4.48Å; P193-F195 HydrophobicContact CG-CD1 4.42Å; P193-F195 HydrophobicContact CG-CD2 4.47Å; P193-F195 HydrophobicContact CG-CE1 3.67Å; P193-F195 HydrophobicContact CG-CE2 3.71Å; P193-F195 HydrophobicContact CG-CZ 3.28Å; P193-F195 WeakPolarHBondContact O-CE2 3.12Å; F195-V197 HydrophobicContact CB-CG2 4.24Å; F195-I320 CarbonylContact C-O 3.58Å; F195-I320 VanDerWaalsContact CA-O 3.26Å; F195-I320 WeakPolarHBondContact CA-O 3.41Å; F195-I320 HydrophobicContact CD1-CB 3.88Å; F195-I320 HydrophobicContact CD1-CG2 4.43Å; F195-I320 HydrophobicContact CE1-CB 4.23Å; F195-I320 HydrophobicContact CE1-CD1 4.21Å; F195-V322 HydrophobicContact CD1-CG2 3.55Å; F195-V322 HydrophobicContact CE1-CG2 4.14Å; F195-V322 HydrophobicContact CG-CG2 4.43Å; F195-F334 HydrophobicContact CE1-CE1 4.19Å; F195-C335 HydrophobicContact CD2-CB 4.18Å; F195-C335 HydrophobicContact CE1-CB 4.37Å; F195-C335 HydrophobicContact CE2-CB 4.01Å; F195-C335 HydrophobicContact CG-CB 4.43Å; F195-C335 HydrophobicContact CZ-CB 4.06Å; F195-F338 HydrophobicContact CE1-CD1 4.31Å; F195-F338 HydrophobicContact CZ-CB 4.5Å; F195-F338 HydrophobicContact CZ-CD1 4.01Å; F195-S339 WeakPolarHBondContact CE2-OG 3.48Å; F195-S339 WeakPolarHBondContact CZ-OG 3.27Å
196	V	98.6	Very high	94.9	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	113.5	157.2	173	0	0	0	0	106.4	I170 A182 S183 F184 M212 A319 I320 C321 V322	I170-V196 HydrophobicContact CD1-CG1 4.22Å; I170-V196 HydrophobicContact CD1-CG2 4.08Å; I170-V196 HydrophobicContact CG1-CG1 4.08Å; A182-V196 HydrophobicContact CB-CG1 4.12Å; S183-V196 WeakPolarHBondContact O-CA 3.12Å; F184-V196 HydrophobicContact CD1-CG2 3.8Å; F184-V196 HydrophobicContact CE1-CG2 3.63Å; V196-M212 HydrophobicContact CG1-CE 3.88Å; V196-M212 HydrophobicContact CG1-SD 3.74Å; V196-A319 HydrophobicContact CG2-CB 3.83Å; V196-I320 PolarHBondContact N-O 2.78Å; V196-C321 HydrophobicContact CB-CB 4.47Å; V196-C321 CarbonylContact O-C 3.51Å; V196-C321 WeakPolarHBondContact O-CA 3.49Å; V196-V322 PolarHBondContact O-N 3.35Å
197	V	98.7	Very high	95	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	121.5	178	-178.4	0	0	0	0	109.2	A182 S183 V185 F195 V322 G327	A182-V197 CarbonylContact C-O 3.55Å; A182-V197 VanDerWaalsContact CA-O 3.28Å; A182-V197 WeakPolarHBondContact CA-O 3.3Å; S183-V197 PolarHBondContact N-O 3.41Å; S183-V197 PolarHBondContact O-N 2.72Å; V185-V197 HydrophobicContact CB-CG2 4.38Å; V185-V197 HydrophobicContact CG2-CB 4.17Å; V185-V197 HydrophobicContact CG2-CG2 3.61Å; F195-V197 HydrophobicContact CB-CG2 4.24Å; V197-V322 WeakPolarHBondContact CA-O 3.39Å; V197-G327 VanDerWaalsContact CG1-O 3.23Å; V197-G327 WeakPolarHBondContact CG1-O 3.29Å
198	T	98.7	Very high	95.2	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.012	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	151.3	-174.6	-176.5	0	0	0	0	112.2	N181 F209 M212 V322 Q323 G327	N181-T198 PolarHBondContact O-OG1 3.41Å; T198-F209 HydrophobicContact CG2-CD2 4.38Å; T198-F209 HydrophobicContact CG2-CE2 3.92Å; T198-M212 HydrophobicContact CG2-CE 4.16Å; T198-V322 PolarHBondContact N-O 2.8Å; T198-Q323 HydrophobicContact CG2-CB 3.97Å; T198-Q323 HydrophobicContact CG2-CG 4.07Å; T198-Q323 WeakPolarHBondContact O-CA 3.35Å; T198-G327 WeakPolarHBondContact O-CA 3.34Å
199	Q	97.9	Very high	95.4	Very high	4 Å²	4	26.9 Å²	26.9	2%	0.019	14%	0.14	C	C	.	.	P	Polyproline II helix	trans	-68.6	168.6	165.2	64.8	170.1	29.8	0	0	110.9	K156 N181 S324	K156-Q199 PolarHBondContact O-NE2 3.09Å; N181-Q199 HydrophobicContact CB-CG 3.95Å; N181-Q199 PolarHBondContact ND2-OE1 3.17Å; N181-Q199 PolarHBondContact O-N 3.42Å; Q199-S324 CarbonylContact C-O 3.56Å
200	A	97.6	Very high	95.7	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.138	C	C	.	.	P	Polyproline II helix	trans	-62.3	136.1	165.1	0	0	0	0	0	109.8	R158 T202 M225 V230 I235 Q323 S324 L325	R158-A200 WeakPolarHBondContact CD-O 3.44Å; R158-A200 PolarHBondContact NE-O 2.85Å; A200-T202 PolarHBondContact O-N 3.11Å; A200-M225 HydrophobicContact CB-SD 3.99Å; A200-V230 HydrophobicContact CB-CG2 3.92Å; A200-I235 HydrophobicContact CB-CD1 3.97Å; A200-Q323 VanDerWaalsContact CA-NE2 3.34Å; A200-S324 PolarHBondContact N-O 3.49Å; A200-L325 HydrophobicContact CB-CD1 4.47Å; A200-L325 PolarHBondContact N-O 2.94Å
201	P	97.1	Very high	96.1	Very high	3 Å²	3	18.4 Å²	18.4	2%	0.019	10%	0.1	C	C	.	.	P	Polyproline II helix	trans	-58.9	132.9	178.5	-27	34.8	0	0	0	110.9	R158 I206 F209 I235	R158-P201 PolarHBondContact NH2-O 2.83Å; P201-I206 HydrophobicContact CB-CG1 4.05Å; P201-F209 HydrophobicContact CB-CB 3.98Å; P201-F209 HydrophobicContact CB-CG 4.36Å; P201-F209 HydrophobicContact CG-CB 3.41Å; P201-F209 VanDerWaalsContact CG-CB 3.41Å; P201-F209 HydrophobicContact CG-CD1 3.82Å; P201-F209 HydrophobicContact CG-CD2 3.54Å; P201-F209 HydrophobicContact CG-CE1 4.48Å; P201-F209 HydrophobicContact CG-CE2 4.23Å; P201-F209 HydrophobicContact CG-CG 3.29Å; P201-I235 HydrophobicContact CB-CB 4.49Å; P201-I235 HydrophobicContact CB-CG2 4.11Å; P201-I235 HydrophobicContact CG-CB 4.36Å; P201-I235 HydrophobicContact CG-CG2 4.49Å; P201-I235 WeakPolarHBondContact O-CG2 3.45Å
202	T	95.5	Very high	96.6	Very high	9 Å²	9	15.5 Å²	15.5	6%	0.055	8%	0.084	C	C	.	.	P	Polyproline II helix	trans	-69.7	161.6	165.8	66.4	0	0	0	0	109.1	R158 A200 Q204 S205 I206	R158-T202 HydrophobicContact CG-CG2 3.71Å; A200-T202 PolarHBondContact O-N 3.11Å; T202-Q204 PolarHBondContact O-N 3.16Å; T202-Q204 PolarHBondContact OG1-OE1 3.4Å; T202-S205 PolarHBondContact N-OG 2.81Å; T202-S205 PolarHBondContact O-N 3.11Å; T202-S205 PolarHBondContact O-OG 2.73Å; T202-S205 PolarHBondContact OG1-N 3.45Å; T202-S205 PolarHBondContact OG1-OG 3.49Å; T202-I206 WeakPolarHBondContact O-CG1 3.31Å; T202-I206 PolarHBondContact O-N 3.35Å
203	P	93.8	Very high	97	Very high	57 Å²	57	14.9 Å²	14.9	37%	0.37	8%	0.078	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-25.6	175.2	-28.9	36.8	0	0	0	114.8	K233	P203-K233 HydrophobicContact CB-CD 4.37Å
204	Q	93.8	Very high	97.1	Very high	112 Å²	112	15.4 Å²	15.4	52%	0.523	8%	0.08	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-16.4	178.5	-62.1	79.4	0.3	0	0	113.9	F155 T202	F155-Q204 HydrophobicContact CD2-CB 4.3Å; F155-Q204 HydrophobicContact CD2-CG 4.47Å; T202-Q204 PolarHBondContact O-N 3.16Å; T202-Q204 PolarHBondContact OG1-OE1 3.4Å
205	S	95.7	Very high	97.1	Very high	3 Å²	3	15.4 Å²	15.4	2%	0.021	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.4	12.4	-175.7	53.6	0	0	0	0	113.7	T202 E207 D208 F209	T202-S205 PolarHBondContact N-OG 2.81Å; T202-S205 PolarHBondContact O-N 3.11Å; T202-S205 PolarHBondContact O-OG 2.73Å; T202-S205 PolarHBondContact OG1-N 3.45Å; T202-S205 PolarHBondContact OG1-OG 3.49Å; S205-E207 VanDerWaalsContact C-N 3.34Å; S205-E207 PolarHBondContact O-N 2.92Å; S205-D208 PolarHBondContact O-N 3.05Å; S205-F209 WeakPolarHBondContact O-CB 3.44Å; S205-F209 PolarHBondContact O-N 3.17Å
206	I	96.3	Very high	97.1	Very high	16 Å²	16	17.7 Å²	17.7	8%	0.082	9%	0.089	C	C	.	.	H	α-helix	trans	-61.3	-42.9	174.9	-69.3	167.5	0	0	0	111	P201 T202 F209 W210 K233 I235 I243	P201-I206 HydrophobicContact CB-CG1 4.05Å; T202-I206 WeakPolarHBondContact O-CG1 3.31Å; T202-I206 PolarHBondContact O-N 3.35Å; I206-F209 PolarHBondContact O-N 3.11Å; I206-W210 VanDerWaalsContact O-CD1 3.23Å; I206-W210 PolarHBondContact O-N 3.17Å; I206-K233 HydrophobicContact CD1-CB 3.56Å; I206-K233 HydrophobicContact CD1-CD 4.12Å; I206-I235 HydrophobicContact CD1-CG2 4.15Å; I206-I235 HydrophobicContact CG1-CG2 4.03Å; I206-I243 HydrophobicContact CG2-CG2 4.14Å
207	E	96.1	Very high	97	Very high	51 Å²	51	20 Å²	20	24%	0.238	10%	0.102	C	C	.	.	H	α-helix	trans	-62.2	-51	176	176	174.4	-166.1	0	0	110.8	S205 F209 W210 L211 T245 P246	S205-E207 VanDerWaalsContact C-N 3.34Å; S205-E207 PolarHBondContact O-N 2.92Å; E207-F209 PolarHBondContact O-N 3.28Å; E207-W210 PolarHBondContact O-N 3.45Å; E207-L211 WeakPolarHBondContact O-CB 3.49Å; E207-L211 PolarHBondContact O-N 3.26Å; E207-T245 HydrophobicContact CB-CG2 4.18Å; E207-T245 HydrophobicContact CG-CG2 4.39Å; E207-P246 VanDerWaalsContact CD-CD 3.45Å; E207-P246 WeakPolarHBondContact OE1-CD 3.4Å; E207-P246 WeakPolarHBondContact OE1-CG 3.43Å; E207-P246 WeakPolarHBondContact OE2-CD 3.49Å
208	D	97.7	Very high	96.9	Very high	9 Å²	9	20.3 Å²	20.3	5%	0.048	10%	0.104	C	C	.	.	H	α-helix	trans	-54.4	-40.6	178	-59.2	-27.2	0	0	0	112	K156 L172 I180 S205 L211 M212	K156-D208 WeakPolarHBondContact CE-OD2 3.28Å; K156-D208 IonicContact NZ-OD1 2.87Å; K156-D208 IonicContact NZ-OD2 3.53Å; K156-D208 PolarHBondContact NZ-OD2 3.49Å; L172-D208 HydrophobicContact CD1-CB 3.67Å; I180-D208 HydrophobicContact CB-CB 4.5Å; I180-D208 HydrophobicContact CD1-CB 4.15Å; S205-D208 PolarHBondContact O-N 3.05Å; D208-L211 PolarHBondContact O-N 3.13Å; D208-M212 WeakPolarHBondContact O-CB 3.5Å; D208-M212 PolarHBondContact O-N 3.23Å
209	F	98.2	Very high	96.9	Very high	4 Å²	4	21.8 Å²	21.8	2%	0.018	11%	0.111	C	C	.	.	H	α-helix	trans	-64.4	-51.2	177.8	173.9	-95.7	0	0	0	112.2	I180 T198 P201 S205 I206 E207 L211 M212 I213 I221	I180-F209 HydrophobicContact CD1-CB 4.13Å; T198-F209 HydrophobicContact CG2-CD2 4.38Å; T198-F209 HydrophobicContact CG2-CE2 3.92Å; P201-F209 HydrophobicContact CB-CB 3.98Å; P201-F209 HydrophobicContact CB-CG 4.36Å; P201-F209 HydrophobicContact CG-CB 3.41Å; P201-F209 VanDerWaalsContact CG-CB 3.41Å; P201-F209 HydrophobicContact CG-CD1 3.82Å; P201-F209 HydrophobicContact CG-CD2 3.54Å; P201-F209 HydrophobicContact CG-CE1 4.48Å; P201-F209 HydrophobicContact CG-CE2 4.23Å; P201-F209 HydrophobicContact CG-CG 3.29Å; S205-F209 WeakPolarHBondContact O-CB 3.44Å; S205-F209 PolarHBondContact O-N 3.17Å; I206-F209 PolarHBondContact O-N 3.11Å; E207-F209 PolarHBondContact O-N 3.28Å; F209-L211 PolarHBondContact O-N 2.98Å; F209-M212 HydrophobicContact CD2-CE 3.88Å; F209-M212 HydrophobicContact CE2-CE 4.08Å; F209-M212 WeakPolarHBondContact O-CB 3.32Å; F209-M212 PolarHBondContact O-N 3.33Å; F209-I213 HydrophobicContact CD1-CG1 4.34Å; F209-I213 HydrophobicContact CE1-CG1 3.95Å; F209-I213 HydrophobicContact CE2-CD1 4.27Å; F209-I213 HydrophobicContact CE2-CG1 4.34Å; F209-I213 HydrophobicContact CZ-CD1 4.05Å; F209-I213 HydrophobicContact CZ-CG1 3.95Å; F209-I213 VanDerWaalsContact O-CG1 3.32Å; F209-I213 WeakPolarHBondContact O-CG1 3.44Å; F209-I213 PolarHBondContact O-N 3.39Å; F209-I221 HydrophobicContact CZ-CD1 4.38Å
210	W	98	Very high	96.9	Very high	2 Å²	2	21.7 Å²	21.7	1%	0.008	11%	0.11	C	C	.	.	H	α-helix	trans	-66.1	-31.6	179.1	-74.4	108.5	0	0	0	112	I206 E207 I213 F214 I221 I235 W236 L248 V250 I266 I268 L279	I206-W210 VanDerWaalsContact O-CD1 3.23Å; I206-W210 PolarHBondContact O-N 3.17Å; E207-W210 PolarHBondContact O-N 3.45Å; W210-I213 HydrophobicContact CE3-CB 4.45Å; W210-I213 HydrophobicContact CE3-CG2 4.39Å; W210-I213 HydrophobicContact CZ3-CG2 4.41Å; W210-I213 PolarHBondContact O-N 3.46Å; W210-F214 WeakPolarHBondContact O-CB 3.45Å; W210-F214 PolarHBondContact O-N 2.94Å; W210-I221 HydrophobicContact CH2-CD1 4.37Å; W210-I221 HydrophobicContact CZ3-CD1 4.27Å; W210-I235 PolarHBondContact NE1-O 3.28Å; W210-W236 HydrophobicContact CZ2-CB 4.34Å; W210-L248 VanDerWaalsContact C-CD1 3.46Å; W210-L248 HydrophobicContact CB-CD1 3.91Å; W210-L248 WeakPolarHBondContact O-CD1 3.39Å; W210-V250 HydrophobicContact CB-CG2 4.19Å; W210-V250 HydrophobicContact CD2-CB 4.38Å; W210-V250 HydrophobicContact CD2-CG1 3.95Å; W210-V250 HydrophobicContact CD2-CG2 3.75Å; W210-V250 HydrophobicContact CE3-CB 4.49Å; W210-V250 HydrophobicContact CE3-CG1 3.75Å; W210-V250 HydrophobicContact CE3-CG2 3.93Å; W210-V250 HydrophobicContact CG-CG2 3.84Å; W210-V250 HydrophobicContact CH2-CG1 3.81Å; W210-V250 HydrophobicContact CZ2-CG1 4.02Å; W210-V250 HydrophobicContact CZ3-CG1 3.66Å; W210-I266 HydrophobicContact CH2-CD1 3.9Å; W210-I266 HydrophobicContact CH2-CG2 4.31Å; W210-I266 HydrophobicContact CZ3-CG2 4.18Å; W210-I268 HydrophobicContact CE3-CD1 3.71Å; W210-I268 HydrophobicContact CE3-CG1 4.19Å; W210-I268 HydrophobicContact CZ3-CD1 3.94Å; W210-I268 HydrophobicContact CZ3-CG1 4.33Å; W210-L279 HydrophobicContact CZ3-CD2 4.44Å
211	L	97.2	Very high	96.9	Very high	3 Å²	3	21.7 Å²	21.7	2%	0.016	11%	0.11	C	C	.	.	H	α-helix	trans	-65.9	-44.8	172	-167.8	66.6	0	0	0	112.1	T174 A175 E207 D208 F209 I213 F214 E215 L248	T174-L211 WeakPolarHBondContact OG1-CD1 3.28Å; A175-L211 HydrophobicContact CB-CD2 3.65Å; E207-L211 WeakPolarHBondContact O-CB 3.49Å; E207-L211 PolarHBondContact O-N 3.26Å; D208-L211 PolarHBondContact O-N 3.13Å; F209-L211 PolarHBondContact O-N 2.98Å; L211-I213 VanDerWaalsContact C-N 3.35Å; L211-I213 PolarHBondContact O-N 3.07Å; L211-F214 PolarHBondContact O-N 3.12Å; L211-F214 VanDerWaalsContact O-N 3.16Å; L211-E215 HydrophobicContact CD1-CG 4.27Å; L211-E215 HydrophobicContact CG-CG 4.13Å; L211-E215 WeakPolarHBondContact O-CB 3.19Å; L211-E215 WeakPolarHBondContact O-CG 3.26Å; L211-E215 PolarHBondContact O-N 2.81Å; L211-L248 HydrophobicContact CB-CD1 4.45Å; L211-L248 HydrophobicContact CD1-CD1 4.31Å
212	M	98	Very high	97	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-54.3	-50.5	172.8	-179.4	-177	71.5	0	0	111.4	I170 L172 I180 A182 V196 T198 D208 F209 F214 E215 Q216	I170-M212 HydrophobicContact CB-SD 4.3Å; I170-M212 HydrophobicContact CG1-SD 3.94Å; I170-M212 HydrophobicContact CG2-CG 3.99Å; I170-M212 HydrophobicContact CG2-SD 4.32Å; L172-M212 HydrophobicContact CD2-CB 3.81Å; I180-M212 HydrophobicContact CD1-CB 4.05Å; I180-M212 HydrophobicContact CD1-CE 4.23Å; I180-M212 HydrophobicContact CD1-SD 3.87Å; I180-M212 HydrophobicContact CG2-SD 4.08Å; A182-M212 HydrophobicContact CB-CE 4.37Å; A182-M212 HydrophobicContact CB-SD 3.52Å; A182-M212 VanDerWaalsContact CB-SD 3.52Å; V196-M212 HydrophobicContact CG1-CE 3.88Å; V196-M212 HydrophobicContact CG1-SD 3.74Å; T198-M212 HydrophobicContact CG2-CE 4.16Å; D208-M212 WeakPolarHBondContact O-CB 3.5Å; D208-M212 PolarHBondContact O-N 3.23Å; F209-M212 HydrophobicContact CD2-CE 3.88Å; F209-M212 HydrophobicContact CE2-CE 4.08Å; F209-M212 WeakPolarHBondContact O-CB 3.32Å; F209-M212 PolarHBondContact O-N 3.33Å; M212-F214 VanDerWaalsContact C-N 3.25Å; M212-F214 PolarHBondContact O-N 3.46Å; M212-E215 PolarHBondContact O-N 3.19Å; M212-Q216 HydrophobicContact CG-CG 4.15Å; M212-Q216 VanDerWaalsContact O-CB 3.28Å; M212-Q216 WeakPolarHBondContact O-CB 3.45Å; M212-Q216 VanDerWaalsContact O-CG 3.26Å; M212-Q216 WeakPolarHBondContact O-CG 3.3Å; M212-Q216 PolarHBondContact O-N 2.87Å
213	I	98.2	Very high	97.2	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.005	11%	0.107	C	C	.	.	H	α-helix	trans	-56.7	-43.3	178.9	-66.4	-57.4	0	0	0	110.8	F209 W210 L211 N217 V218 I221 I268 L279 C321	F209-I213 HydrophobicContact CD1-CG1 4.34Å; F209-I213 HydrophobicContact CE1-CG1 3.95Å; F209-I213 HydrophobicContact CE2-CD1 4.27Å; F209-I213 HydrophobicContact CE2-CG1 4.34Å; F209-I213 HydrophobicContact CZ-CD1 4.05Å; F209-I213 HydrophobicContact CZ-CG1 3.95Å; F209-I213 VanDerWaalsContact O-CG1 3.32Å; F209-I213 WeakPolarHBondContact O-CG1 3.44Å; F209-I213 PolarHBondContact O-N 3.39Å; W210-I213 HydrophobicContact CE3-CB 4.45Å; W210-I213 HydrophobicContact CE3-CG2 4.39Å; W210-I213 HydrophobicContact CZ3-CG2 4.41Å; W210-I213 PolarHBondContact O-N 3.46Å; L211-I213 VanDerWaalsContact C-N 3.35Å; L211-I213 PolarHBondContact O-N 3.07Å; I213-N217 PolarHBondContact O-N 3.4Å; I213-V218 HydrophobicContact CD1-CB 4.05Å; I213-V218 HydrophobicContact CD1-CG1 3.99Å; I213-V218 HydrophobicContact CD1-CG2 4.12Å; I213-V218 HydrophobicContact CG2-CB 4.13Å; I213-V218 PolarHBondContact O-N 3.28Å; I213-V218 VanDerWaalsContact O-N 3.07Å; I213-I221 HydrophobicContact CD1-CD1 3.75Å; I213-I221 HydrophobicContact CD1-CG1 3.95Å; I213-I221 HydrophobicContact CG1-CD1 4.01Å; I213-I221 HydrophobicContact CG2-CD1 4.16Å; I213-I268 HydrophobicContact CB-CD1 4.46Å; I213-I268 HydrophobicContact CG2-CD1 3.64Å; I213-L279 HydrophobicContact CG2-CD2 3.25Å; I213-C321 HydrophobicContact CD1-CB 3.78Å
214	F	97.3	Very high	97.4	Very high	12 Å²	12	18.4 Å²	18.4	5%	0.053	9%	0.089	C	C	.	.	H	α-helix	trans	-68.6	-51.2	179.4	-170.9	-85.6	0	0	0	112.7	W210 L211 M212 N217 L248 I268 N270 Q275 R277	W210-F214 WeakPolarHBondContact O-CB 3.45Å; W210-F214 PolarHBondContact O-N 2.94Å; L211-F214 PolarHBondContact O-N 3.12Å; L211-F214 VanDerWaalsContact O-N 3.16Å; M212-F214 VanDerWaalsContact C-N 3.25Å; M212-F214 PolarHBondContact O-N 3.46Å; F214-N217 PolarHBondContact O-N 2.85Å; F214-L248 HydrophobicContact CB-CD1 4.23Å; F214-L248 HydrophobicContact CD2-CD2 4.09Å; F214-L248 HydrophobicContact CG-CD2 4.15Å; F214-I268 HydrophobicContact CD2-CB 4.23Å; F214-I268 HydrophobicContact CD2-CG2 3.63Å; F214-I268 HydrophobicContact CE2-CG2 4.32Å; F214-N270 HydrophobicContact CD2-CB 4.42Å; F214-N270 HydrophobicContact CE1-CB 3.97Å; F214-N270 WeakPolarHBondContact CE1-ND2 3.46Å; F214-N270 HydrophobicContact CE2-CB 3.63Å; F214-N270 HydrophobicContact CZ-CB 3.37Å; F214-Q275 HydrophobicContact CZ-CB 3.98Å; F214-Q275 HydrophobicContact CZ-CG 3.96Å; F214-Q275 VanDerWaalsContact CZ-OE1 3.24Å; F214-R277 HydrophobicContact CD2-CG 4.2Å; F214-R277 HydrophobicContact CE2-CB 4.4Å; F214-R277 VanDerWaalsContact CE2-CD 3.49Å; F214-R277 HydrophobicContact CE2-CG 3.82Å; F214-R277 HydrophobicContact CZ-CG 4.43Å; F214-R277 PolarHBondContact O-NE 3.35Å
215	E	96.7	Very high	97.5	Very high	36 Å²	36	13.1 Å²	13.1	17%	0.168	6%	0.064	C	C	.	.	H	α-helix	trans	-64.1	-39.7	-178.2	-72.3	-176.7	171.3	0	0	111.9	L172 Q173 T174 L211 M212 N217	L172-E215 WeakPolarHBondContact CA-OE2 3.07Å; Q173-E215 PolarHBondContact N-OE1 3.17Å; Q173-E215 PolarHBondContact N-OE2 3.44Å; T174-E215 WeakPolarHBondContact CB-OE1 3.17Å; T174-E215 PolarHBondContact N-OE1 3.2Å; T174-E215 PolarHBondContact OG1-OE1 3.42Å; L211-E215 HydrophobicContact CD1-CG 4.27Å; L211-E215 HydrophobicContact CG-CG 4.13Å; L211-E215 WeakPolarHBondContact O-CB 3.19Å; L211-E215 WeakPolarHBondContact O-CG 3.26Å; L211-E215 PolarHBondContact O-N 2.81Å; M212-E215 PolarHBondContact O-N 3.19Å; E215-N217 VanDerWaalsContact C-N 3.26Å; E215-N217 PolarHBondContact O-N 2.82Å; E215-N217 PolarHBondContact O-ND2 3.35Å
216	Q	97	Very high	97.4	Very high	47 Å²	47	13.7 Å²	13.7	22%	0.22	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	7	-178.1	-55.6	-47.5	-39.1	0	0	114.1	I170 F184 M212 V218	I170-Q216 HydrophobicContact CG2-CG 4.23Å; F184-Q216 HydrophobicContact CZ-CG 4.27Å; M212-Q216 HydrophobicContact CG-CG 4.15Å; M212-Q216 VanDerWaalsContact O-CB 3.28Å; M212-Q216 WeakPolarHBondContact O-CB 3.45Å; M212-Q216 VanDerWaalsContact O-CG 3.26Å; M212-Q216 WeakPolarHBondContact O-CG 3.3Å; M212-Q216 PolarHBondContact O-N 2.87Å; Q216-V218 HydrophobicContact CB-CG2 4.14Å; Q216-V218 PolarHBondContact O-N 3.36Å
217	N	96.3	Very high	97.1	Very high	49 Å²	49	16 Å²	16	26%	0.262	9%	0.085	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	37.2	179.4	-49.4	-88.8	0	0	0	113	I213 F214 E215 E219 R277 H318	I213-N217 PolarHBondContact O-N 3.4Å; F214-N217 PolarHBondContact O-N 2.85Å; E215-N217 VanDerWaalsContact C-N 3.26Å; E215-N217 PolarHBondContact O-N 2.82Å; E215-N217 PolarHBondContact O-ND2 3.35Å; N217-E219 PolarHBondContact O-N 3.45Å; N217-R277 PolarHBondContact OD1-NH1 2.88Å; N217-R277 PolarHBondContact OD1-NH2 3.34Å; N217-H318 PolarHBondContact O-ND1 2.8Å
218	V	97.8	Very high	96.9	Very high	7 Å²	7	17.8 Å²	17.8	4%	0.042	10%	0.102	C	C	.	.			trans	-70.5	121.4	-177.9	173	0	0	0	0	110.1	I213 Q216 L220 I221 C321	I213-V218 HydrophobicContact CD1-CB 4.05Å; I213-V218 HydrophobicContact CD1-CG1 3.99Å; I213-V218 HydrophobicContact CD1-CG2 4.12Å; I213-V218 HydrophobicContact CG2-CB 4.13Å; I213-V218 PolarHBondContact O-N 3.28Å; I213-V218 VanDerWaalsContact O-N 3.07Å; Q216-V218 HydrophobicContact CB-CG2 4.14Å; Q216-V218 PolarHBondContact O-N 3.36Å; V218-L220 VanDerWaalsContact CG1-O 3.26Å; V218-L220 WeakPolarHBondContact CG1-O 3.49Å; V218-I221 HydrophobicContact CG1-CG1 3.94Å; V218-C321 HydrophobicContact CG1-CB 3.62Å; V218-C321 HydrophobicContact CG2-CB 4.2Å
219	E	98	Very high	96.7	Very high	33 Å²	33	18.6 Å²	18.6	15%	0.154	11%	0.106	C	C	.	.			trans	-99.4	-17.9	177.5	-69.2	176.8	-143	0	0	112.8	N217 L279 V280 Q313 R314 H318	N217-E219 PolarHBondContact O-N 3.45Å; E219-L279 CarbonylContact O-C 3.51Å; E219-L279 WeakPolarHBondContact O-CA 3.35Å; E219-L279 WeakPolarHBondContact O-CB 3.47Å; E219-V280 PolarHBondContact O-N 2.91Å; E219-Q313 HydrophobicContact CB-CG 4.11Å; E219-Q313 WeakPolarHBondContact OE2-CA 3.36Å; E219-R314 WeakPolarHBondContact OE1-CB 3.32Å; E219-R314 IonicContact OE1-NE 3.97Å; E219-R314 PolarHBondContact OE2-N 2.9Å; E219-H318 IonicContact OE1-CE1 3.6Å; E219-H318 PolarHBondContact OE1-CE1 3.3Å; E219-H318 IonicContact OE1-CG 2.7Å; E219-H318 IonicContact OE1-ND1 3.14Å; E219-H318 PolarHBondContact OE1-ND1 2.79Å
220	L	98.4	Very high	96.3	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.005	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	123.9	-179.1	-178.6	61.2	0	0	0	111	V218 V280 L282 A306 H309 Q313 I320 C321	V218-L220 VanDerWaalsContact CG1-O 3.26Å; V218-L220 WeakPolarHBondContact CG1-O 3.49Å; L220-V280 CarbonylContact C-O 3.58Å; L220-V280 WeakPolarHBondContact CA-O 3.4Å; L220-V280 HydrophobicContact CD1-CB 4.08Å; L220-V280 HydrophobicContact CD1-CG1 4.14Å; L220-L282 HydrophobicContact CD1-CD1 3.94Å; L220-L282 HydrophobicContact CD1-CG 3.93Å; L220-A306 WeakPolarHBondContact CD2-O 3.39Å; L220-H309 HydrophobicContact CD1-CB 3.92Å; L220-H309 HydrophobicContact CD2-CB 4.04Å; L220-Q313 VanDerWaalsContact CB-NE2 3.33Å; L220-I320 HydrophobicContact CB-CG2 4.48Å; L220-I320 HydrophobicContact CD2-CD1 4.19Å; L220-I320 HydrophobicContact CD2-CG1 4.2Å; L220-I320 HydrophobicContact CD2-CG2 4.09Å; L220-I320 HydrophobicContact CG-CG2 4.13Å; L220-C321 PolarHBondContact O-N 2.92Å
221	I	98.6	Very high	95.7	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.005	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	124.3	171.4	-55	174.4	0	0	0	108.7	F209 W210 I213 V218 L279 V280 H281 L282 C321	F209-I221 HydrophobicContact CZ-CD1 4.38Å; W210-I221 HydrophobicContact CH2-CD1 4.37Å; W210-I221 HydrophobicContact CZ3-CD1 4.27Å; I213-I221 HydrophobicContact CD1-CD1 3.75Å; I213-I221 HydrophobicContact CD1-CG1 3.95Å; I213-I221 HydrophobicContact CG1-CD1 4.01Å; I213-I221 HydrophobicContact CG2-CD1 4.16Å; V218-I221 HydrophobicContact CG1-CG1 3.94Å; I221-L279 HydrophobicContact CD1-CD1 3.7Å; I221-L279 HydrophobicContact CD1-CD2 4.09Å; I221-L279 HydrophobicContact CG1-CD1 4.03Å; I221-V280 PolarHBondContact N-O 3.25Å; I221-H281 HydrophobicContact CB-CB 4.49Å; I221-H281 CarbonylContact O-C 3.6Å; I221-H281 WeakPolarHBondContact O-CA 3.4Å; I221-L282 PolarHBondContact O-N 2.95Å; I221-C321 CarbonylContact C-O 3.59Å; I221-C321 VanDerWaalsContact CA-O 3.31Å; I221-C321 WeakPolarHBondContact CA-O 3.37Å; I221-C321 HydrophobicContact CG1-CB 4.18Å; I221-C321 HydrophobicContact CG2-CB 4.5Å
222	C	98.7	Very high	95.1	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	105.9	175.5	-64.1	0	0	0	0	109.9	F302 I320 C321 V322 Q323 F334	C222-F302 HydrophobicContact CB-CZ 4.12Å; C222-I320 HydrophobicContact CB-CG2 4.42Å; C222-C321 PolarHBondContact N-O 2.82Å; C222-V322 WeakPolarHBondContact O-CA 3.32Å; C222-Q323 PolarHBondContact O-N 3.18Å; C222-F334 HydrophobicContact CB-CE1 3.88Å; C222-F334 HydrophobicContact CB-CE2 3.89Å; C222-F334 HydrophobicContact CB-CZ 3.48Å; C222-F334 VanDerWaalsContact CB-CZ 3.48Å; C222-F334 WeakPolarHBondContact SG-CZ 3.39Å
223	S	98.4	Very high	94.6	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	117.3	178	-67.5	0	0	0	0	111.6	H281 L282 Q283 Y284 Q323	S223-H281 PolarHBondContact OG-NE2 2.87Å; S223-L282 PolarHBondContact N-O 3.35Å; S223-Q283 CarbonylContact O-C 3.55Å; S223-Q283 WeakPolarHBondContact O-CA 3.17Å; S223-Y284 PolarHBondContact O-N 3.24Å; S223-Q323 CarbonylContact C-O 3.5Å; S223-Q323 VanDerWaalsContact CA-O 3.29Å; S223-Q323 WeakPolarHBondContact CA-O 3.16Å
224	V	98.1	Very high	94.2	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	73.4	175.2	-169.5	0	0	0	0	109	W287 F299 F302 Q323 S324 R330 F334	V224-W287 HydrophobicContact CG1-CB 4.48Å; V224-W287 HydrophobicContact CG1-CD2 4.35Å; V224-W287 HydrophobicContact CG1-CE3 3.65Å; V224-W287 HydrophobicContact CG1-CZ3 4.28Å; V224-F299 HydrophobicContact CG1-CE2 3.91Å; V224-F299 HydrophobicContact CG1-CZ 4.46Å; V224-F299 HydrophobicContact CG2-CE2 4.23Å; V224-F302 HydrophobicContact CG2-CE1 3.93Å; V224-F302 HydrophobicContact CG2-CZ 4.44Å; V224-Q323 PolarHBondContact N-O 2.84Å; V224-S324 WeakPolarHBondContact O-CB 3.32Å; V224-R330 HydrophobicContact CB-CB 4.43Å; V224-R330 HydrophobicContact CG1-CB 4.06Å; V224-R330 PolarHBondContact O-NH1 2.83Å; V224-F334 HydrophobicContact CG2-CB 4.1Å; V224-F334 HydrophobicContact CG2-CD2 4.1Å; V224-F334 HydrophobicContact CG2-CG 4.29Å
225	M	96.4	Very high	94.1	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.232	C	C	.	.	S	Bend	trans	-167.5	149.9	179.6	54.6	177.8	173	0	0	111.3	A200 E229 V230 I235 W236 Q283 Y284 Q323	A200-M225 HydrophobicContact CB-SD 3.99Å; M225-E229 VanDerWaalsContact CA-OE2 3.23Å; M225-E229 WeakPolarHBondContact CA-OE2 3.32Å; M225-E229 VanDerWaalsContact CB-OE2 3.28Å; M225-E229 WeakPolarHBondContact CB-OE2 3.22Å; M225-V230 HydrophobicContact SD-CG2 4.46Å; M225-I235 HydrophobicContact CE-CD1 3.91Å; M225-W236 HydrophobicContact CE-CE3 4.21Å; M225-W236 HydrophobicContact CE-CH2 4.3Å; M225-W236 HydrophobicContact CE-CZ3 3.44Å; M225-W236 VanDerWaalsContact CE-CZ3 3.44Å; M225-W236 HydrophobicContact SD-CZ3 4.43Å; M225-Q283 PolarHBondContact O-NE2 3.3Å; M225-Y284 PolarHBondContact N-O 3.47Å; M225-Y284 VanDerWaalsContact N-O 3.11Å; M225-Q323 HydrophobicContact CE-CG 3.81Å
226	S	93.7	Very high	93.9	Very high	16 Å²	16	42.5 Å²	42.5	11%	0.112	23%	0.228	C	C	.	.			trans	-75.1	143	170.3	174.8	0	0	0	0	111.1	S228 E229	S226-S228 WeakPolarHBondContact CB-OG 3.39Å; S226-S228 PolarHBondContact O-N 2.93Å; S226-S228 VanDerWaalsContact O-N 3.11Å; S226-S228 PolarHBondContact OG-N 2.87Å; S226-S228 VanDerWaalsContact OG-N 3.14Å; S226-S228 PolarHBondContact OG-OG 2.91Å; S226-E229 PolarHBondContact N-OE2 3.28Å; S226-E229 WeakPolarHBondContact O-CB 3.43Å; S226-E229 PolarHBondContact O-N 3.37Å; S226-E229 VanDerWaalsContact O-N 3.1Å
227	P	91	Very high	93.8	Very high	65 Å²	65	40.2 Å²	40.2	42%	0.422	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-50.8	-29.6	166.8	-25.5	33.5	0	0	0	114.2	E229 W236	P227-E229 PolarHBondContact O-N 3.27Å; P227-W236 HydrophobicContact CB-CH2 4.46Å; P227-W236 HydrophobicContact CB-CZ2 3.96Å; P227-W236 HydrophobicContact CG-CZ2 4.03Å
228	S	92	Very high	93.6	Very high	87 Å²	87	39.6 Å²	39.6	61%	0.608	21%	0.213	S	C	*	.	G	3₁₀ helix	trans	-70.3	-15.7	-179	61.2	0	0	0	0	114.4	S226 V230	S226-S228 WeakPolarHBondContact CB-OG 3.39Å; S226-S228 PolarHBondContact O-N 2.93Å; S226-S228 VanDerWaalsContact O-N 3.11Å; S226-S228 PolarHBondContact OG-N 2.87Å; S226-S228 VanDerWaalsContact OG-N 3.14Å; S226-S228 PolarHBondContact OG-OG 2.91Å; S228-V230 VanDerWaalsContact C-N 3.33Å
229	E	93.2	Very high	93.1	Very high	27 Å²	27	45 Å²	45	13%	0.126	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-77.6	-19.6	-178	-67.1	179.5	75.1	0	0	113.1	M225 S226 P227 I288 H289 L325 R330	M225-E229 VanDerWaalsContact CA-OE2 3.23Å; M225-E229 WeakPolarHBondContact CA-OE2 3.32Å; M225-E229 VanDerWaalsContact CB-OE2 3.28Å; M225-E229 WeakPolarHBondContact CB-OE2 3.22Å; S226-E229 PolarHBondContact N-OE2 3.28Å; S226-E229 WeakPolarHBondContact O-CB 3.43Å; S226-E229 PolarHBondContact O-N 3.37Å; S226-E229 VanDerWaalsContact O-N 3.1Å; P227-E229 PolarHBondContact O-N 3.27Å; E229-I288 HydrophobicContact CG-CG2 4.06Å; E229-H289 WeakPolarHBondContact OE1-CB 3.5Å; E229-H289 PolarHBondContact OE1-N 3.14Å; E229-L325 HydrophobicContact CB-CD1 4.39Å; E229-R330 VanDerWaalsContact CD-NH1 3.29Å; E229-R330 IonicContact OE1-CZ 2.74Å; E229-R330 VanDerWaalsContact OE1-CZ 3.28Å; E229-R330 IonicContact OE1-NH1 3.52Å; E229-R330 PolarHBondContact OE1-NH1 2.8Å; E229-R330 IonicContact OE1-NH2 3.49Å; E229-R330 PolarHBondContact OE1-NH2 3.3Å; E229-R330 IonicContact OE2-CZ 3.35Å; E229-R330 IonicContact OE2-NH1 3.45Å; E229-R330 PolarHBondContact OE2-NH1 3.44Å; E229-R330 IonicContact OE2-NH2 3.32Å
230	V	90.2	Very high	92.6	Very high	21 Å²	21	50.6 Å²	50.6	13%	0.127	27%	0.269	C	S	.	.	S	Bend	trans	-111.3	106.2	-177	-179.3	0	0	0	0	109.7	A200 M225 S228 I235 L325	A200-V230 HydrophobicContact CB-CG2 3.92Å; M225-V230 HydrophobicContact SD-CG2 4.46Å; S228-V230 VanDerWaalsContact C-N 3.33Å; V230-I235 HydrophobicContact CB-CD1 4.48Å; V230-I235 HydrophobicContact CG1-CD1 4.33Å; V230-I235 HydrophobicContact CG1-CG1 4.42Å; V230-I235 HydrophobicContact CG1-CG2 4.09Å; V230-I235 HydrophobicContact CG2-CD1 4.01Å; V230-L325 HydrophobicContact CG2-CD1 4.17Å
231	K	84.8	Confident	92.3	Very high	167 Å²	167	54.3 Å²	54.3	73%	0.726	29%	0.286	S	S	*	.			trans	-77.9	149.1	173.1	-60.7	-178.1	-176.3	176.3	0	111.1	D11	D11-K231 IonicContact OD2-NZ 3.84Å
232	G	84.6	Confident	92.1	Very high	74 Å²	74	57 Å²	57	76%	0.763	30%	0.303	S	S	*	.	S	Bend	trans	93.9	-131.5	170	0	0	0	0	0	114
233	K	87.2	Confident	92	Very high	140 Å²	140	57.9 Å²	57.9	61%	0.609	31%	0.308	S	S	*	.	S	Bend	trans	-64.6	136.1	-177.5	-69.3	-174.7	-178.9	178.6	0	110.5	P203 I206 I235	P203-K233 HydrophobicContact CB-CD 4.37Å; I206-K233 HydrophobicContact CD1-CB 3.56Å; I206-K233 HydrophobicContact CD1-CD 4.12Å; K233-I235 PolarHBondContact O-N 3.41Å
234	R	89.8	Confident	91.7	Very high	134 Å²	134	65.5 Å²	65.5	51%	0.506	34%	0.341	S	S	.	.			trans	-62	134.5	170.9	-72.5	-171.5	-69.3	-110.7	-1.4	110.1	E241	R234-E241 IonicContact CZ-OE1 2.8Å; R234-E241 IonicContact CZ-OE2 2.95Å; R234-E241 IonicContact NE-OE2 3.78Å; R234-E241 IonicContact NH1-OE1 3.95Å; R234-E241 PolarHBondContact NH1-OE1 3.25Å; R234-E241 VanDerWaalsContact NH1-OE1 3.15Å; R234-E241 IonicContact NH1-OE2 3.34Å; R234-E241 PolarHBondContact NH1-OE2 2.86Å; R234-E241 IonicContact NH2-OE1 3.15Å; R234-E241 PolarHBondContact NH2-OE1 3.06Å; R234-E241 IonicContact NH2-OE2 2.89Å; R234-E241 PolarHBondContact NH2-OE2 3.2Å
235	I	94.2	Very high	91.4	Very high	5 Å²	5	66.5 Å²	66.5	3%	0.026	35%	0.347	C	S	.	.	S	Bend	trans	-97.6	-12.3	-178.5	53.7	162.2	0	0	0	112.4	A200 P201 I206 W210 M225 V230 K233	A200-I235 HydrophobicContact CB-CD1 3.97Å; P201-I235 HydrophobicContact CB-CB 4.49Å; P201-I235 HydrophobicContact CB-CG2 4.11Å; P201-I235 HydrophobicContact CG-CB 4.36Å; P201-I235 HydrophobicContact CG-CG2 4.49Å; P201-I235 WeakPolarHBondContact O-CG2 3.45Å; I206-I235 HydrophobicContact CD1-CG2 4.15Å; I206-I235 HydrophobicContact CG1-CG2 4.03Å; W210-I235 PolarHBondContact NE1-O 3.28Å; M225-I235 HydrophobicContact CE-CD1 3.91Å; V230-I235 HydrophobicContact CB-CD1 4.48Å; V230-I235 HydrophobicContact CG1-CD1 4.33Å; V230-I235 HydrophobicContact CG1-CG1 4.42Å; V230-I235 HydrophobicContact CG1-CG2 4.09Å; V230-I235 HydrophobicContact CG2-CD1 4.01Å; K233-I235 PolarHBondContact O-N 3.41Å
236	W	93.4	Very high	91.2	Very high	18 Å²	18	71.2 Å²	71.2	7%	0.068	38%	0.378	C	S	.	.	S	Bend	trans	-130	152.7	169.2	57	75.7	0	0	0	111.7	W210 M225 P227 E238 Q283	W210-W236 HydrophobicContact CZ2-CB 4.34Å; M225-W236 HydrophobicContact CE-CE3 4.21Å; M225-W236 HydrophobicContact CE-CH2 4.3Å; M225-W236 HydrophobicContact CE-CZ3 3.44Å; M225-W236 VanDerWaalsContact CE-CZ3 3.44Å; M225-W236 HydrophobicContact SD-CZ3 4.43Å; P227-W236 HydrophobicContact CB-CH2 4.46Å; P227-W236 HydrophobicContact CB-CZ2 3.96Å; P227-W236 HydrophobicContact CG-CZ2 4.03Å; W236-E238 PolarHBondContact NE1-OE1 3.24Å; W236-E238 VanDerWaalsContact NE1-OE1 3.13Å; W236-Q283 VanDerWaalsContact CH2-NE2 3.29Å; W236-Q283 VanDerWaalsContact CZ2-NE2 3.25Å
237	P	94.3	Very high	91.2	Very high	0 Å²	0	71 Å²	71	0%	0	38%	0.376	C	S	.	.			trans	-69.8	153.2	178	34.3	-41.4	0	0	0	110.8	I243 V250 V252 I266	P237-I243 HydrophobicContact CB-CG1 4.41Å; P237-V250 HydrophobicContact CG-CG1 3.9Å; P237-V252 HydrophobicContact CB-CG2 3.86Å; P237-V252 HydrophobicContact CG-CG2 3.64Å; P237-V252 VanDerWaalsContact O-CG2 3.22Å; P237-V252 WeakPolarHBondContact O-CG2 3.44Å; P237-I266 HydrophobicContact CG-CD1 3.94Å; P237-I266 HydrophobicContact CG-CG1 4.22Å; P237-I266 HydrophobicContact CG-CG2 4.34Å
238	E	92	Very high	91.4	Very high	35 Å²	35	67.9 Å²	67.9	16%	0.164	36%	0.356	C	S	.	.	B	Isolated β-bridge	trans	-117.8	168.8	166.3	-70.4	-65.6	167	0	0	109.1	W236 N240 E241 R255 R264	W236-E238 PolarHBondContact NE1-OE1 3.24Å; W236-E238 VanDerWaalsContact NE1-OE1 3.13Å; E238-N240 PolarHBondContact O-N 3.47Å; E238-E241 HydrophobicContact CB-CB 4.36Å; E238-E241 PolarHBondContact N-O 2.7Å; E238-E241 CarbonylContact O-C 3.55Å; E238-E241 PolarHBondContact O-N 2.88Å; E238-R255 IonicContact OE2-NH1 2.99Å; E238-R264 IonicContact OE1-CZ 3.59Å; E238-R264 IonicContact OE1-NE 3.79Å; E238-R264 PolarHBondContact OE1-NE 2.72Å; E238-R264 IonicContact OE1-NH2 3.34Å; E238-R264 PolarHBondContact OE1-NH2 3.5Å; E238-R264 IonicContact OE2-NE 3.87Å; E238-R264 IonicContact OE2-NH2 2.74Å
239	Q	88.7	Confident	91.7	Very high	120 Å²	120	67.9 Å²	67.9	56%	0.561	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	130.2	-179.8	-167.8	172.5	14.4	0	0	110.3	E241	Q239-E241 PolarHBondContact O-N 2.9Å
240	N	87.2	Confident	91.9	Very high	152 Å²	152	66.6 Å²	66.6	81%	0.813	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	66	6.2	-173.9	-49.6	-45.3	0	0	0	115.7	E238 P242	E238-N240 PolarHBondContact O-N 3.47Å; N240-P242 WeakPolarHBondContact O-CD 3.46Å
241	E	92.3	Very high	92.3	Very high	79 Å²	79	67.8 Å²	67.8	37%	0.369	35%	0.346	S	S	.	.	B	Isolated β-bridge	trans	-127	75.4	-178.4	-63	-172	122.7	0	0	110.6	R234 E238 Q239	R234-E241 IonicContact CZ-OE1 2.8Å; R234-E241 IonicContact CZ-OE2 2.95Å; R234-E241 IonicContact NE-OE2 3.78Å; R234-E241 IonicContact NH1-OE1 3.95Å; R234-E241 PolarHBondContact NH1-OE1 3.25Å; R234-E241 VanDerWaalsContact NH1-OE1 3.15Å; R234-E241 IonicContact NH1-OE2 3.34Å; R234-E241 PolarHBondContact NH1-OE2 2.86Å; R234-E241 IonicContact NH2-OE1 3.15Å; R234-E241 PolarHBondContact NH2-OE1 3.06Å; R234-E241 IonicContact NH2-OE2 2.89Å; R234-E241 PolarHBondContact NH2-OE2 3.2Å; E238-E241 HydrophobicContact CB-CB 4.36Å; E238-E241 PolarHBondContact N-O 2.7Å; E238-E241 CarbonylContact O-C 3.55Å; E238-E241 PolarHBondContact O-N 2.88Å; Q239-E241 PolarHBondContact O-N 2.9Å
242	P	94.3	Very high	92.9	Very high	56 Å²	56	60.7 Å²	60.7	36%	0.364	32%	0.317	S	S	.	.			trans	-65.5	146.2	-179.5	26.6	-33.9	0	0	0	112.2	N240 V250 V251	N240-P242 WeakPolarHBondContact O-CD 3.46Å; P242-V250 CarbonylContact C-O 3.56Å; P242-V250 WeakPolarHBondContact CA-O 3.27Å; P242-V250 WeakPolarHBondContact CB-O 3.3Å; P242-V251 HydrophobicContact CB-CG1 3.79Å
243	I	95.6	Very high	93.4	Very high	20 Å²	20	59.8 Å²	59.8	10%	0.103	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	116.8	162.6	-65.7	178.9	0	0	0	107.3	I206 P237 T245 V250	I206-I243 HydrophobicContact CG2-CG2 4.14Å; P237-I243 HydrophobicContact CB-CG1 4.41Å; I243-T245 HydrophobicContact CG2-CG2 4.08Å; I243-V250 HydrophobicContact CB-CB 4.21Å; I243-V250 PolarHBondContact N-O 3.34Å; I243-V250 PolarHBondContact O-N 3.07Å
244	K	93.6	Very high	93.8	Very high	160 Å²	160	54.9 Å²	54.9	70%	0.696	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.6	122.2	171.7	-64.8	-175.6	-177.8	-179.1	0	109
245	T	91.9	Very high	94	Very high	20 Å²	20	52.9 Å²	52.9	12%	0.123	27%	0.272	C	S	.	.			trans	-109.6	168.2	170.9	70	0	0	0	0	108.3	E207 I243 S247 L248	E207-T245 HydrophobicContact CB-CG2 4.18Å; E207-T245 HydrophobicContact CG-CG2 4.39Å; I243-T245 HydrophobicContact CG2-CG2 4.08Å; T245-S247 PolarHBondContact O-N 3.2Å; T245-S247 VanDerWaalsContact O-N 3.09Å; T245-L248 PolarHBondContact N-O 2.9Å; T245-L248 WeakPolarHBondContact OG1-CA 3.25Å; T245-L248 VanDerWaalsContact OG1-CB 3.31Å; T245-L248 WeakPolarHBondContact OG1-CB 3.42Å; T245-L248 PolarHBondContact OG1-N 3.38Å; T245-L248 PolarHBondContact OG1-O 3.38Å
246	P	91.3	Very high	94.1	Very high	100 Å²	100	56 Å²	56	65%	0.649	29%	0.285	S	S	*	.	S	Bend	trans	-53.7	-24.3	175.1	-29.2	35	0	0	0	115.9	E207	E207-P246 VanDerWaalsContact CD-CD 3.45Å; E207-P246 WeakPolarHBondContact OE1-CD 3.4Å; E207-P246 WeakPolarHBondContact OE1-CG 3.43Å; E207-P246 WeakPolarHBondContact OE2-CD 3.49Å
247	S	92.9	Very high	94	Very high	10 Å²	10	62.1 Å²	62.1	7%	0.07	31%	0.312	C	S	.	.	S	Bend	trans	-122.7	-18.9	-175.1	56	0	0	0	0	114.6	T245 D271	T245-S247 PolarHBondContact O-N 3.2Å; T245-S247 VanDerWaalsContact O-N 3.09Å; S247-D271 PolarHBondContact O-N 3.14Å
248	L	97	Very high	94	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	140.3	-173.4	-52.6	174.4	0	0	0	112.2	W210 L211 F214 T245 V250 I268 L269 N270	W210-L248 VanDerWaalsContact C-CD1 3.46Å; W210-L248 HydrophobicContact CB-CD1 3.91Å; W210-L248 WeakPolarHBondContact O-CD1 3.39Å; L211-L248 HydrophobicContact CB-CD1 4.45Å; L211-L248 HydrophobicContact CD1-CD1 4.31Å; F214-L248 HydrophobicContact CB-CD1 4.23Å; F214-L248 HydrophobicContact CD2-CD2 4.09Å; F214-L248 HydrophobicContact CG-CD2 4.15Å; T245-L248 PolarHBondContact N-O 2.9Å; T245-L248 WeakPolarHBondContact OG1-CA 3.25Å; T245-L248 VanDerWaalsContact OG1-CB 3.31Å; T245-L248 WeakPolarHBondContact OG1-CB 3.42Å; T245-L248 PolarHBondContact OG1-N 3.38Å; T245-L248 PolarHBondContact OG1-O 3.38Å; L248-V250 HydrophobicContact CB-CG2 4.46Å; L248-I268 HydrophobicContact CB-CG2 4.15Å; L248-I268 HydrophobicContact CD1-CG2 4.15Å; L248-I268 HydrophobicContact CD2-CG2 4.03Å; L248-I268 HydrophobicContact CG-CG2 4.35Å; L248-L269 CarbonylContact C-O 3.54Å; L248-L269 VanDerWaalsContact CA-O 3.24Å; L248-L269 WeakPolarHBondContact CA-O 3.37Å; L248-N270 HydrophobicContact CD2-CB 3.67Å
249	K	97.1	Very high	94.1	Very high	88 Å²	88	70.6 Å²	70.6	38%	0.383	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	117.9	166	178.5	-174.3	176.1	-170.2	0	109.5	V251 I268 L269	K249-V251 HydrophobicContact CG-CG1 4.33Å; K249-I268 WeakPolarHBondContact O-CA 3.33Å; K249-L269 HydrophobicContact CB-CB 4.34Å; K249-L269 HydrophobicContact CD-CD2 4.5Å; K249-L269 PolarHBondContact N-O 3.35Å; K249-L269 PolarHBondContact O-N 3.21Å
250	V	97.9	Very high	94.3	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	121.9	-176	-171	0	0	0	0	109.7	W210 P237 P242 I243 L248 I266 S267 I268	W210-V250 HydrophobicContact CB-CG2 4.19Å; W210-V250 HydrophobicContact CD2-CB 4.38Å; W210-V250 HydrophobicContact CD2-CG1 3.95Å; W210-V250 HydrophobicContact CD2-CG2 3.75Å; W210-V250 HydrophobicContact CE3-CB 4.49Å; W210-V250 HydrophobicContact CE3-CG1 3.75Å; W210-V250 HydrophobicContact CE3-CG2 3.93Å; W210-V250 HydrophobicContact CG-CG2 3.84Å; W210-V250 HydrophobicContact CH2-CG1 3.81Å; W210-V250 HydrophobicContact CZ2-CG1 4.02Å; W210-V250 HydrophobicContact CZ3-CG1 3.66Å; P237-V250 HydrophobicContact CG-CG1 3.9Å; P242-V250 CarbonylContact C-O 3.56Å; P242-V250 WeakPolarHBondContact CA-O 3.27Å; P242-V250 WeakPolarHBondContact CB-O 3.3Å; I243-V250 HydrophobicContact CB-CB 4.21Å; I243-V250 PolarHBondContact N-O 3.34Å; I243-V250 PolarHBondContact O-N 3.07Å; L248-V250 HydrophobicContact CB-CG2 4.46Å; V250-I266 HydrophobicContact CG1-CG2 3.49Å; V250-I266 VanDerWaalsContact CG1-CG2 3.49Å; V250-S267 WeakPolarHBondContact CA-O 3.27Å; V250-I268 HydrophobicContact CG1-CG1 4.13Å; V250-I268 HydrophobicContact CG2-CG1 4.28Å; V250-I268 HydrophobicContact CG2-CG2 4.26Å
251	V	97.4	Very high	94.8	Very high	45 Å²	45	60.2 Å²	60.2	27%	0.273	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	145.4	-174.8	-67.3	0	0	0	0	111.3	P242 K249 I266 S267	P242-V251 HydrophobicContact CB-CG1 3.79Å; K249-V251 HydrophobicContact CG-CG1 4.33Å; V251-I266 CarbonylContact O-C 3.54Å; V251-I266 VanDerWaalsContact O-CA 3.32Å; V251-I266 WeakPolarHBondContact O-CA 3.23Å; V251-S267 WeakPolarHBondContact CG2-O 3.2Å; V251-S267 PolarHBondContact N-O 3.26Å; V251-S267 PolarHBondContact O-N 2.68Å
252	V	97.6	Very high	95	Very high	19 Å²	19	56.9 Å²	56.9	12%	0.115	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	123.2	164.3	178.6	0	0	0	0	108.6	P237 S254 R264	P237-V252 HydrophobicContact CB-CG2 3.86Å; P237-V252 HydrophobicContact CG-CG2 3.64Å; P237-V252 VanDerWaalsContact O-CG2 3.22Å; P237-V252 WeakPolarHBondContact O-CG2 3.44Å; V252-S254 WeakPolarHBondContact CG1-O 3.14Å; V252-R264 HydrophobicContact CG1-CB 4.43Å
253	V	96	Very high	95.2	Very high	54 Å²	54	54.5 Å²	54.5	33%	0.327	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	-46.4	174	-179.1	0	0	0	0	110.2	V75 Q79 L265	V75-V253 HydrophobicContact CG1-CG1 3.89Å; Q79-V253 VanDerWaalsContact NE2-CG1 3.32Å; V253-L265 HydrophobicContact CB-CB 4.37Å; V253-L265 HydrophobicContact CB-CD2 4.08Å; V253-L265 HydrophobicContact CB-CG 4.16Å; V253-L265 HydrophobicContact CG1-CD2 4.07Å; V253-L265 PolarHBondContact N-O 2.93Å
254	S	95.6	Very high	95.3	Very high	37 Å²	37	53.6 Å²	53.6	26%	0.259	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	155.3	178.4	60.4	0	0	0	0	111.2	V252 R264 L265	V252-S254 WeakPolarHBondContact CG1-O 3.14Å; S254-R264 CarbonylContact O-C 3.48Å; S254-R264 WeakPolarHBondContact O-CA 3.41Å; S254-L265 PolarHBondContact O-N 3.3Å; S254-L265 WeakPolarHBondContact OG-CB 3.42Å
255	R	94.6	Very high	95.5	Very high	93 Å²	93	46.2 Å²	46.2	35%	0.351	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	133.2	175.3	-173.6	175.6	-175.4	-157.7	1	109.8	E238 F257 E263 R264	E238-R255 IonicContact OE2-NH1 2.99Å; R255-F257 HydrophobicContact CG-CE2 4.42Å; R255-F257 VanDerWaalsContact NH1-CZ 3.33Å; R255-F257 VanDerWaalsContact NH2-CE1 3.25Å; R255-E263 CarbonylContact C-O 3.57Å; R255-E263 WeakPolarHBondContact CA-O 3.36Å; R255-R264 HydrophobicContact CG-CG 4.08Å
256	K	94.8	Very high	95.8	Very high	70 Å²	70	45.3 Å²	45.3	30%	0.304	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	140.3	173.7	-59.9	177.5	-171.4	163	0	108.8	T82 E263	T82-K256 PolarHBondContact O-NZ 3.29Å; K256-E263 HydrophobicContact CB-CB 4.28Å; K256-E263 PolarHBondContact N-O 3.4Å; K256-E263 IonicContact NZ-OE1 3.91Å; K256-E263 PolarHBondContact O-N 3.15Å
257	F	92.9	Very high	96.1	Very high	146 Å²	146	41.2 Å²	41.2	64%	0.64	21%	0.211	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-103.6	126.1	172.7	-66.4	-87.1	0	0	0	108.8	R255	R255-F257 HydrophobicContact CG-CE2 4.42Å; R255-F257 VanDerWaalsContact NH1-CZ 3.33Å; R255-F257 VanDerWaalsContact NH2-CE1 3.25Å
258	R	93.5	Very high	96.3	Very high	74 Å²	74	40.8 Å²	40.8	28%	0.279	21%	0.208	S	C	.	.			trans	-102.8	159.4	169.2	-56.2	-66.7	-168.6	158.3	3.5	108	S260 Y261 E263	R258-S260 PolarHBondContact O-N 3.4Å; R258-Y261 CarbonylContact C-O 3.57Å; R258-Y261 WeakPolarHBondContact CA-O 3.44Å; R258-Y261 HydrophobicContact CB-CD1 4.11Å; R258-Y261 HydrophobicContact CB-CD2 4.22Å; R258-Y261 HydrophobicContact CB-CE1 3.95Å; R258-Y261 HydrophobicContact CB-CE2 4.06Å; R258-Y261 HydrophobicContact CB-CG 4.23Å; R258-Y261 WeakPolarHBondContact CB-O 3.45Å; R258-Y261 HydrophobicContact CG-CD2 4.12Å; R258-Y261 HydrophobicContact CG-CE1 4.19Å; R258-Y261 HydrophobicContact CG-CE2 3.59Å; R258-Y261 PolarHBondContact N-O 2.96Å; R258-E263 IonicContact NE-OE2 2.82Å; R258-E263 IonicContact NH2-OE2 2.77Å
259	P	93.4	Very high	96.3	Very high	139 Å²	139	43 Å²	43	90%	0.903	22%	0.22	S	C	*	.	S	Bend	trans	-53	-32.6	-178.2	-30	36.6	0	0	0	114.7
260	S	94.2	Very high	96.3	Very high	30 Å²	30	39.5 Å²	39.5	21%	0.21	21%	0.205	C	C	.	.	S	Bend	trans	-116	-11.9	-173.9	-48.8	0	0	0	0	115.1	R258 Y284 G298	R258-S260 PolarHBondContact O-N 3.4Å; S260-Y284 VanDerWaalsContact O-CD2 3.28Å; S260-Y284 WeakPolarHBondContact O-CD2 3.31Å; S260-Y284 WeakPolarHBondContact O-CE2 3.41Å; S260-G298 VanDerWaalsContact CB-CA 3.5Å; S260-G298 VanDerWaalsContact CB-O 3.32Å; S260-G298 WeakPolarHBondContact CB-O 3.37Å; S260-G298 WeakPolarHBondContact OG-CA 3.28Å
261	Y	97.1	Very high	96	Very high	24 Å²	24	43.6 Å²	43.6	9%	0.094	23%	0.227	C	C	.	.			trans	-154	166.5	-177.4	63.1	-89.1	0	0	0	111.2	R258 L282 Q283 D301 F302 G305	R258-Y261 CarbonylContact C-O 3.57Å; R258-Y261 WeakPolarHBondContact CA-O 3.44Å; R258-Y261 HydrophobicContact CB-CD1 4.11Å; R258-Y261 HydrophobicContact CB-CD2 4.22Å; R258-Y261 HydrophobicContact CB-CE1 3.95Å; R258-Y261 HydrophobicContact CB-CE2 4.06Å; R258-Y261 HydrophobicContact CB-CG 4.23Å; R258-Y261 WeakPolarHBondContact CB-O 3.45Å; R258-Y261 HydrophobicContact CG-CD2 4.12Å; R258-Y261 HydrophobicContact CG-CE1 4.19Å; R258-Y261 HydrophobicContact CG-CE2 3.59Å; R258-Y261 PolarHBondContact N-O 2.96Å; Y261-L282 HydrophobicContact CD2-CD2 4.34Å; Y261-L282 HydrophobicContact CE2-CD2 4.04Å; Y261-Q283 WeakPolarHBondContact CA-O 3.49Å; Y261-Q283 WeakPolarHBondContact CB-O 3.29Å; Y261-D301 WeakPolarHBondContact CE1-O 3.47Å; Y261-F302 HydrophobicContact CD1-CB 3.82Å; Y261-F302 AromaticContact CD1-CD2 3.95Å; Y261-F302 HydrophobicContact CD1-CD2 3.95Å; Y261-F302 HydrophobicContact CD1-CG 4.41Å; Y261-F302 HydrophobicContact CD2-CD2 4.02Å; Y261-F302 HydrophobicContact CE1-CB 4.39Å; Y261-F302 HydrophobicContact CG-CB 4.32Å; Y261-F302 AromaticContact CG-CD2 3.6Å; Y261-F302 HydrophobicContact CG-CD2 3.6Å; Y261-F302 HydrophobicContact CG-CE2 4.46Å; Y261-F302 HydrophobicContact CG-CG 4.45Å; Y261-G305 WeakPolarHBondContact OH-CA 3.38Å
262	S	96.7	Very high	95.8	Very high	9 Å²	9	49.1 Å²	49.1	6%	0.063	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	148.5	173.6	61	0	0	0	0	111.4	L282 Q283	S262-L282 CarbonylContact O-C 3.59Å; S262-L282 WeakPolarHBondContact O-CA 3.14Å; S262-Q283 PolarHBondContact N-O 3.39Å; S262-Q283 PolarHBondContact O-N 2.74Å
263	E	97.5	Very high	95.6	Very high	7 Å²	7	52.3 Å²	52.3	3%	0.033	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	129.6	-179.3	176.4	-176	133.8	0	0	108.8	R255 K256 R258 V280 H281 L282 H309	R255-E263 CarbonylContact C-O 3.57Å; R255-E263 WeakPolarHBondContact CA-O 3.36Å; K256-E263 HydrophobicContact CB-CB 4.28Å; K256-E263 PolarHBondContact N-O 3.4Å; K256-E263 IonicContact NZ-OE1 3.91Å; K256-E263 PolarHBondContact O-N 3.15Å; R258-E263 IonicContact NE-OE2 2.82Å; R258-E263 IonicContact NH2-OE2 2.77Å; E263-V280 HydrophobicContact CG-CG1 3.93Å; E263-H281 CarbonylContact C-O 3.56Å; E263-H281 WeakPolarHBondContact CA-O 3.45Å; E263-L282 HydrophobicContact CB-CD2 3.76Å; E263-L282 HydrophobicContact CG-CD2 3.67Å; E263-H309 IonicContact OE1-CE1 3.34Å; E263-H309 IonicContact OE1-NE2 3.84Å; E263-H309 IonicContact OE2-NE2 3.94Å; E263-H309 PolarHBondContact OE2-NE2 3.36Å
264	R	97.5	Very high	95.6	Very high	1 Å²	1	54.2 Å²	54.2	0%	0.004	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	130.4	173.2	-60.4	177	-174.1	81.7	-4	108.9	E238 V252 S254 R255 I266 H281 Q283	E238-R264 IonicContact OE1-CZ 3.59Å; E238-R264 IonicContact OE1-NE 3.79Å; E238-R264 PolarHBondContact OE1-NE 2.72Å; E238-R264 IonicContact OE1-NH2 3.34Å; E238-R264 PolarHBondContact OE1-NH2 3.5Å; E238-R264 IonicContact OE2-NE 3.87Å; E238-R264 IonicContact OE2-NH2 2.74Å; V252-R264 HydrophobicContact CG1-CB 4.43Å; S254-R264 CarbonylContact O-C 3.48Å; S254-R264 WeakPolarHBondContact O-CA 3.41Å; R255-R264 HydrophobicContact CG-CG 4.08Å; R264-I266 HydrophobicContact CB-CD1 4.5Å; R264-I266 HydrophobicContact CB-CG1 4.17Å; R264-H281 HydrophobicContact CB-CB 4.26Å; R264-H281 PolarHBondContact N-O 3.02Å; R264-H281 PolarHBondContact NH1-CE1 3.29Å; R264-H281 PolarHBondContact NH1-ND1 3.43Å; R264-H281 PolarHBondContact O-N 3.29Å; R264-Q283 VanDerWaalsContact NH2-OE1 3.09Å
265	L	97.7	Very high	95.6	Very high	5 Å²	5	56.4 Å²	56.4	3%	0.026	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	120	163.9	-177.7	65.9	0	0	0	107.7	Q79 V253 S254 V280	Q79-L265 HydrophobicContact CG-CD2 3.45Å; Q79-L265 VanDerWaalsContact CG-CD2 3.45Å; V253-L265 HydrophobicContact CB-CB 4.37Å; V253-L265 HydrophobicContact CB-CD2 4.08Å; V253-L265 HydrophobicContact CB-CG 4.16Å; V253-L265 HydrophobicContact CG1-CD2 4.07Å; V253-L265 PolarHBondContact N-O 2.93Å; S254-L265 PolarHBondContact O-N 3.3Å; S254-L265 WeakPolarHBondContact OG-CB 3.42Å; L265-V280 HydrophobicContact CD1-CG2 4.37Å
266	I	98.1	Very high	95.7	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	138.5	-175.7	-63.7	179.6	0	0	0	109	W210 P237 V250 V251 R264 I268 S278 L279 H281	W210-I266 HydrophobicContact CH2-CD1 3.9Å; W210-I266 HydrophobicContact CH2-CG2 4.31Å; W210-I266 HydrophobicContact CZ3-CG2 4.18Å; P237-I266 HydrophobicContact CG-CD1 3.94Å; P237-I266 HydrophobicContact CG-CG1 4.22Å; P237-I266 HydrophobicContact CG-CG2 4.34Å; V250-I266 HydrophobicContact CG1-CG2 3.49Å; V250-I266 VanDerWaalsContact CG1-CG2 3.49Å; V251-I266 CarbonylContact O-C 3.54Å; V251-I266 VanDerWaalsContact O-CA 3.32Å; V251-I266 WeakPolarHBondContact O-CA 3.23Å; R264-I266 HydrophobicContact CB-CD1 4.5Å; R264-I266 HydrophobicContact CB-CG1 4.17Å; I266-I268 HydrophobicContact CG2-CG1 4.32Å; I266-S278 CarbonylContact O-C 3.54Å; I266-S278 VanDerWaalsContact O-CA 3.23Å; I266-S278 WeakPolarHBondContact O-CA 3.48Å; I266-L279 HydrophobicContact CB-CD1 3.84Å; I266-L279 HydrophobicContact CB-CG 4.09Å; I266-L279 HydrophobicContact CD1-CD1 4.18Å; I266-L279 HydrophobicContact CG1-CD1 4.36Å; I266-L279 HydrophobicContact CG2-CD1 4.44Å; I266-L279 HydrophobicContact CG2-CG 4.44Å; I266-L279 PolarHBondContact N-O 3.46Å; I266-L279 PolarHBondContact O-N 2.82Å; I266-H281 HydrophobicContact CD1-CB 3.61Å; I266-H281 HydrophobicContact CG1-CB 4.35Å
267	S	97.7	Very high	95.7	Very high	14 Å²	14	53.6 Å²	53.6	10%	0.098	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	131.4	169.4	-177.9	0	0	0	0	110.1	V250 V251 V276 R277	V250-S267 WeakPolarHBondContact CA-O 3.27Å; V251-S267 WeakPolarHBondContact CG2-O 3.2Å; V251-S267 PolarHBondContact N-O 3.26Å; V251-S267 PolarHBondContact O-N 2.68Å; S267-V276 VanDerWaalsContact OG-CG1 3.3Å; S267-V276 WeakPolarHBondContact OG-CG1 3.05Å; S267-R277 CarbonylContact C-O 3.59Å; S267-R277 WeakPolarHBondContact CA-O 3.29Å
268	I	98	Very high	95.9	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.005	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	116.5	176	-54.1	171.3	0	0	0	107.5	W210 I213 F214 L248 K249 V250 I266 V276 R277 L279	W210-I268 HydrophobicContact CE3-CD1 3.71Å; W210-I268 HydrophobicContact CE3-CG1 4.19Å; W210-I268 HydrophobicContact CZ3-CD1 3.94Å; W210-I268 HydrophobicContact CZ3-CG1 4.33Å; I213-I268 HydrophobicContact CB-CD1 4.46Å; I213-I268 HydrophobicContact CG2-CD1 3.64Å; F214-I268 HydrophobicContact CD2-CB 4.23Å; F214-I268 HydrophobicContact CD2-CG2 3.63Å; F214-I268 HydrophobicContact CE2-CG2 4.32Å; L248-I268 HydrophobicContact CB-CG2 4.15Å; L248-I268 HydrophobicContact CD1-CG2 4.15Å; L248-I268 HydrophobicContact CD2-CG2 4.03Å; L248-I268 HydrophobicContact CG-CG2 4.35Å; K249-I268 WeakPolarHBondContact O-CA 3.33Å; V250-I268 HydrophobicContact CG1-CG1 4.13Å; V250-I268 HydrophobicContact CG2-CG1 4.28Å; V250-I268 HydrophobicContact CG2-CG2 4.26Å; I266-I268 HydrophobicContact CG2-CG1 4.32Å; I268-V276 CarbonylContact O-C 3.58Å; I268-V276 WeakPolarHBondContact O-CA 3.23Å; I268-R277 PolarHBondContact N-O 3.08Å; I268-R277 PolarHBondContact O-N 3.11Å; I268-L279 HydrophobicContact CD1-CD2 3.64Å; I268-L279 HydrophobicContact CG1-CD2 4.43Å
269	L	97.6	Very high	96.1	Very high	47 Å²	47	44.1 Å²	44.1	25%	0.246	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	128.7	168.4	170.6	67.1	0	0	0	108.8	L248 K249 V276	L248-L269 CarbonylContact C-O 3.54Å; L248-L269 VanDerWaalsContact CA-O 3.24Å; L248-L269 WeakPolarHBondContact CA-O 3.37Å; K249-L269 HydrophobicContact CB-CB 4.34Å; K249-L269 HydrophobicContact CD-CD2 4.5Å; K249-L269 PolarHBondContact N-O 3.35Å; K249-L269 PolarHBondContact O-N 3.21Å; L269-V276 HydrophobicContact CB-CG2 4.41Å; L269-V276 HydrophobicContact CD1-CG2 3.61Å
270	N	96.4	Very high	96.4	Very high	14 Å²	14	38 Å²	38	8%	0.075	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	111.9	168.4	-179.8	-46.9	0	0	0	109.9	F214 L248 K272 T273 S274 Q275	F214-N270 HydrophobicContact CD2-CB 4.42Å; F214-N270 HydrophobicContact CE1-CB 3.97Å; F214-N270 WeakPolarHBondContact CE1-ND2 3.46Å; F214-N270 HydrophobicContact CE2-CB 3.63Å; F214-N270 HydrophobicContact CZ-CB 3.37Å; L248-N270 HydrophobicContact CD2-CB 3.67Å; N270-K272 PolarHBondContact O-N 2.84Å; N270-K272 WeakPolarHBondContact OD1-CB 3.31Å; N270-K272 PolarHBondContact OD1-N 2.89Å; N270-T273 WeakPolarHBondContact CB-OG1 3.16Å; N270-T273 PolarHBondContact O-N 2.9Å; N270-T273 PolarHBondContact OD1-N 3.05Å; N270-T273 VanDerWaalsContact OD1-N 3.1Å; N270-T273 PolarHBondContact OD1-OG1 3.21Å; N270-T273 VanDerWaalsContact OD1-OG1 3.1Å; N270-S274 VanDerWaalsContact O-CA 3.29Å; N270-S274 WeakPolarHBondContact O-CA 3.28Å; N270-S274 PolarHBondContact O-N 2.89Å; N270-Q275 PolarHBondContact N-O 3.47Å
271	D	92.8	Very high	96.5	Very high	87 Å²	87	36.7 Å²	36.7	47%	0.465	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-22.7	-171.6	-67.1	-25.2	0	0	0	112.7	S247	S247-D271 PolarHBondContact O-N 3.14Å
272	K	91.9	Very high	96.6	Very high	160 Å²	160	35.6 Å²	35.6	70%	0.696	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-36.4	179.6	-63.9	-179.2	-179.8	175	0	112.8	N270	N270-K272 PolarHBondContact O-N 2.84Å; N270-K272 WeakPolarHBondContact OD1-CB 3.31Å; N270-K272 PolarHBondContact OD1-N 2.89Å
273	T	94	Very high	96.7	Very high	86 Å²	86	35.2 Å²	35.2	53%	0.528	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.3	-9	-173.3	58.7	0	0	0	0	113.1	N270 Q275	N270-T273 WeakPolarHBondContact CB-OG1 3.16Å; N270-T273 PolarHBondContact O-N 2.9Å; N270-T273 PolarHBondContact OD1-N 3.05Å; N270-T273 VanDerWaalsContact OD1-N 3.1Å; N270-T273 PolarHBondContact OD1-OG1 3.21Å; N270-T273 VanDerWaalsContact OD1-OG1 3.1Å; T273-Q275 PolarHBondContact O-N 2.9Å; T273-Q275 WeakPolarHBondContact OG1-CB 3.31Å; T273-Q275 PolarHBondContact OG1-N 3.5Å
274	S	94.8	Very high	96.7	Very high	95 Å²	95	35 Å²	35	66%	0.664	19%	0.187	S	C	*	.			trans	55.7	15.1	-169.5	-55.9	0	0	0	0	113.9	N270	N270-S274 VanDerWaalsContact O-CA 3.29Å; N270-S274 WeakPolarHBondContact O-CA 3.28Å; N270-S274 PolarHBondContact O-N 2.89Å
275	Q	96.4	Very high	96.6	Very high	83 Å²	83	37.5 Å²	37.5	39%	0.388	21%	0.205	S	C	.	.			trans	-77.9	128.5	177.3	178.8	179.8	39.6	0	0	109.6	F214 N270 T273 R277	F214-Q275 HydrophobicContact CZ-CB 3.98Å; F214-Q275 HydrophobicContact CZ-CG 3.96Å; F214-Q275 VanDerWaalsContact CZ-OE1 3.24Å; N270-Q275 PolarHBondContact N-O 3.47Å; T273-Q275 PolarHBondContact O-N 2.9Å; T273-Q275 WeakPolarHBondContact OG1-CB 3.31Å; T273-Q275 PolarHBondContact OG1-N 3.5Å; Q275-R277 HydrophobicContact CG-CG 4.44Å
276	V	96.5	Very high	96.5	Very high	49 Å²	49	39.4 Å²	39.4	30%	0.297	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	136.2	173.8	-179.9	0	0	0	0	109.5	S267 I268 L269	S267-V276 VanDerWaalsContact OG-CG1 3.3Å; S267-V276 WeakPolarHBondContact OG-CG1 3.05Å; I268-V276 CarbonylContact O-C 3.58Å; I268-V276 WeakPolarHBondContact O-CA 3.23Å; L269-V276 HydrophobicContact CB-CG2 4.41Å; L269-V276 HydrophobicContact CD1-CG2 3.61Å
277	R	95.9	Very high	96.4	Very high	54 Å²	54	39.9 Å²	39.9	20%	0.204	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	143.9	172.8	-66.2	176.9	-179.4	-101.5	8	109.5	F214 N217 S267 I268 Q275	F214-R277 HydrophobicContact CD2-CG 4.2Å; F214-R277 HydrophobicContact CE2-CB 4.4Å; F214-R277 VanDerWaalsContact CE2-CD 3.49Å; F214-R277 HydrophobicContact CE2-CG 3.82Å; F214-R277 HydrophobicContact CZ-CG 4.43Å; F214-R277 PolarHBondContact O-NE 3.35Å; N217-R277 PolarHBondContact OD1-NH1 2.88Å; N217-R277 PolarHBondContact OD1-NH2 3.34Å; S267-R277 CarbonylContact C-O 3.59Å; S267-R277 WeakPolarHBondContact CA-O 3.29Å; I268-R277 PolarHBondContact N-O 3.08Å; I268-R277 PolarHBondContact O-N 3.11Å; Q275-R277 HydrophobicContact CG-CG 4.44Å
278	S	96.6	Very high	96.3	Very high	18 Å²	18	43 Å²	43	13%	0.126	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	143.8	175.1	-66	0	0	0	0	109.9	I266	I266-S278 CarbonylContact O-C 3.54Å; I266-S278 VanDerWaalsContact O-CA 3.23Å; I266-S278 WeakPolarHBondContact O-CA 3.48Å
279	L	97.9	Very high	96.1	Very high	3 Å²	3	46.8 Å²	46.8	2%	0.016	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	160.6	-177.4	67.4	84.6	0	0	0	110.7	W210 I213 E219 I221 I266 I268 H281	W210-L279 HydrophobicContact CZ3-CD2 4.44Å; I213-L279 HydrophobicContact CG2-CD2 3.25Å; E219-L279 CarbonylContact O-C 3.51Å; E219-L279 WeakPolarHBondContact O-CA 3.35Å; E219-L279 WeakPolarHBondContact O-CB 3.47Å; I221-L279 HydrophobicContact CD1-CD1 3.7Å; I221-L279 HydrophobicContact CD1-CD2 4.09Å; I221-L279 HydrophobicContact CG1-CD1 4.03Å; I266-L279 HydrophobicContact CB-CD1 3.84Å; I266-L279 HydrophobicContact CB-CG 4.09Å; I266-L279 HydrophobicContact CD1-CD1 4.18Å; I266-L279 HydrophobicContact CG1-CD1 4.36Å; I266-L279 HydrophobicContact CG2-CD1 4.44Å; I266-L279 HydrophobicContact CG2-CG 4.44Å; I266-L279 PolarHBondContact N-O 3.46Å; I266-L279 PolarHBondContact O-N 2.82Å; I268-L279 HydrophobicContact CD1-CD2 3.64Å; I268-L279 HydrophobicContact CG1-CD2 4.43Å; L279-H281 HydrophobicContact CD1-CB 4.38Å
280	V	98.1	Very high	95.8	Very high	10 Å²	10	48.4 Å²	48.4	6%	0.061	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	130.7	174	179.3	0	0	0	0	109.5	T82 E219 L220 I221 E263 L265 L282	T82-V280 HydrophobicContact CG2-CG2 4.3Å; E219-V280 PolarHBondContact O-N 2.91Å; L220-V280 CarbonylContact C-O 3.58Å; L220-V280 WeakPolarHBondContact CA-O 3.4Å; L220-V280 HydrophobicContact CD1-CB 4.08Å; L220-V280 HydrophobicContact CD1-CG1 4.14Å; I221-V280 PolarHBondContact N-O 3.25Å; E263-V280 HydrophobicContact CG-CG1 3.93Å; L265-V280 HydrophobicContact CD1-CG2 4.37Å; V280-L282 HydrophobicContact CG1-CD2 3.62Å; V280-L282 HydrophobicContact CG1-CG 4.06Å
281	H	98.2	Very high	95.6	Very high	4 Å²	4	50.3 Å²	50.3	2%	0.019	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	112.6	171.5	173.2	-124.3	0	0	0	109.6	I221 S223 E263 R264 I266 L279	I221-H281 HydrophobicContact CB-CB 4.49Å; I221-H281 CarbonylContact O-C 3.6Å; I221-H281 WeakPolarHBondContact O-CA 3.4Å; S223-H281 PolarHBondContact OG-NE2 2.87Å; E263-H281 CarbonylContact C-O 3.56Å; E263-H281 WeakPolarHBondContact CA-O 3.45Å; R264-H281 HydrophobicContact CB-CB 4.26Å; R264-H281 PolarHBondContact N-O 3.02Å; R264-H281 PolarHBondContact NH1-CE1 3.29Å; R264-H281 PolarHBondContact NH1-ND1 3.43Å; R264-H281 PolarHBondContact O-N 3.29Å; I266-H281 HydrophobicContact CD1-CB 3.61Å; I266-H281 HydrophobicContact CG1-CB 4.35Å; L279-H281 HydrophobicContact CD1-CB 4.38Å
282	L	98.4	Very high	95.7	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	132.2	173.1	-52.7	-177.7	0	0	0	109.4	L220 I221 S223 Y261 S262 E263 V280 F302 A306	L220-L282 HydrophobicContact CD1-CD1 3.94Å; L220-L282 HydrophobicContact CD1-CG 3.93Å; I221-L282 PolarHBondContact O-N 2.95Å; S223-L282 PolarHBondContact N-O 3.35Å; Y261-L282 HydrophobicContact CD2-CD2 4.34Å; Y261-L282 HydrophobicContact CE2-CD2 4.04Å; S262-L282 CarbonylContact O-C 3.59Å; S262-L282 WeakPolarHBondContact O-CA 3.14Å; E263-L282 HydrophobicContact CB-CD2 3.76Å; E263-L282 HydrophobicContact CG-CD2 3.67Å; V280-L282 HydrophobicContact CG1-CD2 3.62Å; V280-L282 HydrophobicContact CG1-CG 4.06Å; L282-F302 HydrophobicContact CB-CD2 4.4Å; L282-F302 HydrophobicContact CB-CE2 3.59Å; L282-F302 HydrophobicContact CB-CZ 4.35Å; L282-A306 VanDerWaalsContact CD1-CA 3.49Å; L282-A306 HydrophobicContact CD1-CB 3.84Å
283	Q	97.9	Very high	95.9	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.009	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	115.9	179.3	176	175.9	37.8	0	0	111.5	S223 M225 W236 Y261 S262 R264	S223-Q283 CarbonylContact O-C 3.55Å; S223-Q283 WeakPolarHBondContact O-CA 3.17Å; M225-Q283 PolarHBondContact O-NE2 3.3Å; W236-Q283 VanDerWaalsContact CH2-NE2 3.29Å; W236-Q283 VanDerWaalsContact CZ2-NE2 3.25Å; Y261-Q283 WeakPolarHBondContact CA-O 3.49Å; Y261-Q283 WeakPolarHBondContact CB-O 3.29Å; S262-Q283 PolarHBondContact N-O 3.39Å; S262-Q283 PolarHBondContact O-N 2.74Å; R264-Q283 VanDerWaalsContact NH2-OE1 3.09Å
284	Y	98	Very high	95.8	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.008	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	104.9	167.4	-168.6	-93.2	0	0	0	109.7	S223 M225 S260 A286 W287 L293 S295 G298 F299 F302	S223-Y284 PolarHBondContact O-N 3.24Å; M225-Y284 PolarHBondContact N-O 3.47Å; M225-Y284 VanDerWaalsContact N-O 3.11Å; S260-Y284 VanDerWaalsContact O-CD2 3.28Å; S260-Y284 WeakPolarHBondContact O-CD2 3.31Å; S260-Y284 WeakPolarHBondContact O-CE2 3.41Å; Y284-A286 HydrophobicContact CE1-CB 3.86Å; Y284-W287 HydrophobicContact CD1-CB 4Å; Y284-W287 HydrophobicContact CE1-CB 3.84Å; Y284-L293 HydrophobicContact CE1-CD1 3.7Å; Y284-S295 PolarHBondContact OH-O 3.32Å; Y284-G298 WeakPolarHBondContact CE2-O 3.49Å; Y284-F299 AromaticContact CD1-CD2 3.8Å; Y284-F299 HydrophobicContact CD1-CD2 3.8Å; Y284-F299 HydrophobicContact CD1-CE2 4.21Å; Y284-F299 HydrophobicContact CD2-CD2 4.11Å; Y284-F299 AromaticContact CE1-CD2 3.8Å; Y284-F299 HydrophobicContact CE1-CD2 3.8Å; Y284-F299 HydrophobicContact CE2-CB 4.26Å; Y284-F299 HydrophobicContact CE2-CD2 4.11Å; Y284-F299 AromaticContact CG-CD2 3.95Å; Y284-F299 HydrophobicContact CG-CD2 3.95Å; Y284-F299 HydrophobicContact CG-CE2 4.36Å; Y284-F299 AromaticContact CZ-CD2 3.95Å; Y284-F302 HydrophobicContact CD2-CB 3.73Å; Y284-F302 HydrophobicContact CD2-CD1 4.29Å; Y284-F302 HydrophobicContact CD2-CD2 4.41Å; Y284-F302 AromaticContact CD2-CG 3.92Å; Y284-F302 HydrophobicContact CD2-CG 3.92Å; Y284-F302 HydrophobicContact CE2-CB 4.35Å; Y284-F302 HydrophobicContact CG-CD1 4.27Å; Y284-F302 HydrophobicContact CG-CG 4.26Å
285	S	96.1	Very high	95.9	Very high	53 Å²	53	41.7 Å²	41.7	37%	0.371	27%	0.271	S	S	.	.			trans	-95.3	-9.2	-174	55	0	0	0	0	114.4	W287	S285-W287 PolarHBondContact O-N 3.44Å
286	A	95.6	Very high	95.9	Very high	45 Å²	45	40.3 Å²	40.3	37%	0.372	27%	0.266	S	S	.	.	S	Bend	trans	-82.9	8.3	-173.9	0	0	0	0	0	114.3	Y284 S294	Y284-A286 HydrophobicContact CE1-CB 3.86Å; A286-S294 PolarHBondContact O-OG 3.47Å
287	W	96	Very high	95.9	Very high	10 Å²	10	40.3 Å²	40.3	4%	0.038	27%	0.268	C	S	.	.			trans	-126.9	101.6	176.8	-166.7	2.1	0	0	0	111.1	V224 Y284 S285 S291 L293 F299 R330 V333 L376	V224-W287 HydrophobicContact CG1-CB 4.48Å; V224-W287 HydrophobicContact CG1-CD2 4.35Å; V224-W287 HydrophobicContact CG1-CE3 3.65Å; V224-W287 HydrophobicContact CG1-CZ3 4.28Å; Y284-W287 HydrophobicContact CD1-CB 4Å; Y284-W287 HydrophobicContact CE1-CB 3.84Å; S285-W287 PolarHBondContact O-N 3.44Å; W287-S291 PolarHBondContact NE1-O 3.42Å; W287-L293 HydrophobicContact CB-CD1 4.03Å; W287-L293 HydrophobicContact CD2-CB 4.14Å; W287-L293 HydrophobicContact CD2-CD1 3.82Å; W287-L293 HydrophobicContact CE3-CB 4.46Å; W287-L293 HydrophobicContact CE3-CD1 3.73Å; W287-L293 HydrophobicContact CE3-CG 4.49Å; W287-L293 HydrophobicContact CG-CD1 4Å; W287-L293 HydrophobicContact CZ2-CB 4.35Å; W287-L293 HydrophobicContact CZ3-CD1 4.44Å; W287-F299 HydrophobicContact CE3-CD2 4.34Å; W287-F299 AromaticContact CE3-CE2 3.96Å; W287-F299 HydrophobicContact CE3-CE2 3.96Å; W287-F299 HydrophobicContact CE3-CZ 4.2Å; W287-F299 HydrophobicContact CZ3-CE1 4.19Å; W287-F299 HydrophobicContact CZ3-CE2 4.07Å; W287-F299 AromaticContact CZ3-CZ 3.83Å; W287-F299 HydrophobicContact CZ3-CZ 3.83Å; W287-R330 HydrophobicContact CD2-CG 3.9Å; W287-R330 HydrophobicContact CE3-CG 4.2Å; W287-R330 HydrophobicContact CG-CG 4.45Å; W287-R330 HydrophobicContact CH2-CG 4.08Å; W287-R330 HydrophobicContact CZ2-CG 3.8Å; W287-R330 HydrophobicContact CZ3-CG 4.29Å; W287-R330 PolarHBondContact O-NH1 3.21Å; W287-V333 HydrophobicContact CH2-CB 4.03Å; W287-V333 HydrophobicContact CH2-CG1 3.85Å; W287-V333 HydrophobicContact CH2-CG2 4.25Å; W287-V333 HydrophobicContact CZ3-CB 4.46Å; W287-V333 HydrophobicContact CZ3-CG1 4.15Å; W287-L376 HydrophobicContact CH2-CD2 3.29Å; W287-L376 HydrophobicContact CZ2-CD2 3.46Å; W287-L376 VanDerWaalsContact CZ2-CD2 3.46Å; W287-L376 HydrophobicContact CZ3-CD2 4.24Å
288	I	95	Very high	96	Very high	79 Å²	79	37.8 Å²	37.8	41%	0.405	26%	0.259	S	S	.	.			trans	-90.6	148.3	-177.4	-60	174.6	0	0	0	109.3	E229 G290 S291	E229-I288 HydrophobicContact CG-CG2 4.06Å; I288-G290 PolarHBondContact O-N 2.82Å; I288-S291 PolarHBondContact N-OG 3.35Å; I288-S291 PolarHBondContact O-N 2.88Å; I288-S291 VanDerWaalsContact O-N 3.08Å; I288-S291 PolarHBondContact O-OG 2.8Å
289	H	93	Very high	96.1	Very high	82 Å²	82	37 Å²	37	38%	0.38	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	133	173.8	-176.9	61.9	0	0	0	111.7	E229 S291 L325 Y326 R330	E229-H289 WeakPolarHBondContact OE1-CB 3.5Å; E229-H289 PolarHBondContact OE1-N 3.14Å; H289-S291 PolarHBondContact O-N 2.92Å; H289-L325 HydrophobicContact CB-CD2 4.01Å; H289-Y326 AromaticContact CD2-CE2 3.87Å; H289-Y326 AromaticContact CE1-CD2 3.91Å; H289-Y326 AromaticContact CE1-CE2 3.57Å; H289-Y326 AromaticContact ND1-CE2 3.88Å; H289-Y326 AromaticContact NE2-CE2 3.54Å; H289-R330 VanDerWaalsContact N-NH1 3.2Å
290	G	91.6	Very high	96.1	Very high	80 Å²	80	36.8 Å²	36.8	83%	0.825	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.5	-3.8	-178.5	0	0	0	0	0	114.5	I288	I288-G290 PolarHBondContact O-N 2.82Å
291	S	93.5	Very high	96.1	Very high	54 Å²	54	38.5 Å²	38.5	38%	0.378	26%	0.261	S	S	.	.	S	Bend	trans	-97.3	154	172.4	85.2	0	0	0	0	111.6	W287 I288 H289	W287-S291 PolarHBondContact NE1-O 3.42Å; I288-S291 PolarHBondContact N-OG 3.35Å; I288-S291 PolarHBondContact O-N 2.88Å; I288-S291 VanDerWaalsContact O-N 3.08Å; I288-S291 PolarHBondContact O-OG 2.8Å; H289-S291 PolarHBondContact O-N 2.92Å
292	A	93.3	Very high	96.1	Very high	87 Å²	87	38.3 Å²	38.3	72%	0.719	26%	0.26	S	S	*	.	P	Polyproline II helix	trans	-63.4	158.2	162.2	0	0	0	0	0	110.6	S294	A292-S294 PolarHBondContact O-N 2.84Å
293	L	96.3	Very high	96	Very high	26 Å²	26	38.3 Å²	38.3	14%	0.136	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-67.5	121.4	170	177	62	0	0	0	109.2	Y284 W287 L296 F299 L376 L380	Y284-L293 HydrophobicContact CE1-CD1 3.7Å; W287-L293 HydrophobicContact CB-CD1 4.03Å; W287-L293 HydrophobicContact CD2-CB 4.14Å; W287-L293 HydrophobicContact CD2-CD1 3.82Å; W287-L293 HydrophobicContact CE3-CB 4.46Å; W287-L293 HydrophobicContact CE3-CD1 3.73Å; W287-L293 HydrophobicContact CE3-CG 4.49Å; W287-L293 HydrophobicContact CG-CD1 4Å; W287-L293 HydrophobicContact CZ2-CB 4.35Å; W287-L293 HydrophobicContact CZ3-CD1 4.44Å; L293-L296 HydrophobicContact CD2-CD2 4.12Å; L293-F299 HydrophobicContact CD1-CB 4.09Å; L293-F299 HydrophobicContact CD1-CD2 4.28Å; L293-F299 HydrophobicContact CD1-CG 4.25Å; L293-F299 HydrophobicContact CD2-CB 3.74Å; L293-F299 HydrophobicContact CD2-CD1 4.12Å; L293-F299 HydrophobicContact CD2-CG 3.95Å; L293-F299 HydrophobicContact CG-CB 4.48Å; L293-L376 HydrophobicContact CB-CD1 4.4Å; L293-L376 HydrophobicContact CB-CD2 4.2Å; L293-L376 HydrophobicContact CD2-CD1 4.06Å; L293-L376 HydrophobicContact CD2-CD2 4.49Å; L293-L380 HydrophobicContact CD2-CD2 4.11Å
294	S	93.2	Very high	96	Very high	86 Å²	86	39.7 Å²	39.7	60%	0.601	27%	0.268	S	S	*	.	S	Bend	trans	-74.3	-26.6	-174.1	56	0	0	0	0	114.3	A286 A292	A286-S294 PolarHBondContact O-OG 3.47Å; A292-S294 PolarHBondContact O-N 2.84Å
295	S	96.3	Very high	95.9	Very high	49 Å²	49	40 Å²	40	34%	0.343	27%	0.272	S	S	.	.			trans	-148.6	112.6	-178.3	-179.2	0	0	0	0	112.1	Y284 G298 F299	Y284-S295 PolarHBondContact OH-O 3.32Å; S295-G298 PolarHBondContact OG-N 2.57Å; S295-F299 PolarHBondContact O-N 2.92Å; S295-F299 VanDerWaalsContact O-N 3.14Å
296	L	96.7	Very high	96	Very high	53 Å²	53	37.5 Å²	37.5	28%	0.277	25%	0.254	S	S	.	.	H	α-helix	trans	-61.3	-48.9	171.6	-67.1	174.5	0	0	0	110.7	L293 G298 F299 I300 L376 L379 L380 F383	L293-L296 HydrophobicContact CD2-CD2 4.12Å; L296-G298 PolarHBondContact O-N 3.12Å; L296-F299 PolarHBondContact O-N 3.26Å; L296-I300 WeakPolarHBondContact O-CG1 3.34Å; L296-I300 PolarHBondContact O-N 3.35Å; L296-L376 HydrophobicContact CD2-CD1 3.85Å; L296-L379 HydrophobicContact CD2-CB 4.48Å; L296-L380 HydrophobicContact CD2-CD2 3.63Å; L296-L380 HydrophobicContact CD2-CG 4.1Å; L296-F383 HydrophobicContact CB-CD2 4.28Å; L296-F383 HydrophobicContact CB-CG 4.34Å; L296-F383 HydrophobicContact CD1-CD2 4.32Å
297	S	96.9	Very high	96.1	Very high	49 Å²	49	36.2 Å²	36.2	34%	0.343	24%	0.239	S	C	.	.	H	α-helix	trans	-57	-48.5	-179.9	-170.9	0	0	0	0	111.7	F299 I300 D301	S297-F299 VanDerWaalsContact C-N 3.3Å; S297-F299 PolarHBondContact O-N 3.36Å; S297-I300 PolarHBondContact O-N 2.88Å; S297-D301 PolarHBondContact O-N 3.2Å
298	G	97.5	Very high	96.1	Very high	2 Å²	2	36.8 Å²	36.8	2%	0.021	25%	0.245	C	C	.	.	H	α-helix	trans	-66.2	-32.9	-178.3	0	0	0	0	0	113	S260 Y284 S295 L296 F302	S260-G298 VanDerWaalsContact CB-CA 3.5Å; S260-G298 VanDerWaalsContact CB-O 3.32Å; S260-G298 WeakPolarHBondContact CB-O 3.37Å; S260-G298 WeakPolarHBondContact OG-CA 3.28Å; Y284-G298 WeakPolarHBondContact CE2-O 3.49Å; S295-G298 PolarHBondContact OG-N 2.57Å; L296-G298 PolarHBondContact O-N 3.12Å; G298-F302 PolarHBondContact O-N 3.45Å
299	F	98.2	Very high	96.1	Very high	0 Å²	0	34 Å²	34	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-73.4	-35.6	174.6	-163.7	-111	0	0	0	112.2	V224 Y284 W287 L293 S295 L296 S297 F302 L303 V333 F334 L380	V224-F299 HydrophobicContact CG1-CE2 3.91Å; V224-F299 HydrophobicContact CG1-CZ 4.46Å; V224-F299 HydrophobicContact CG2-CE2 4.23Å; Y284-F299 AromaticContact CD1-CD2 3.8Å; Y284-F299 HydrophobicContact CD1-CD2 3.8Å; Y284-F299 HydrophobicContact CD1-CE2 4.21Å; Y284-F299 HydrophobicContact CD2-CD2 4.11Å; Y284-F299 AromaticContact CE1-CD2 3.8Å; Y284-F299 HydrophobicContact CE1-CD2 3.8Å; Y284-F299 HydrophobicContact CE2-CB 4.26Å; Y284-F299 HydrophobicContact CE2-CD2 4.11Å; Y284-F299 AromaticContact CG-CD2 3.95Å; Y284-F299 HydrophobicContact CG-CD2 3.95Å; Y284-F299 HydrophobicContact CG-CE2 4.36Å; Y284-F299 AromaticContact CZ-CD2 3.95Å; W287-F299 HydrophobicContact CE3-CD2 4.34Å; W287-F299 AromaticContact CE3-CE2 3.96Å; W287-F299 HydrophobicContact CE3-CE2 3.96Å; W287-F299 HydrophobicContact CE3-CZ 4.2Å; W287-F299 HydrophobicContact CZ3-CE1 4.19Å; W287-F299 HydrophobicContact CZ3-CE2 4.07Å; W287-F299 AromaticContact CZ3-CZ 3.83Å; W287-F299 HydrophobicContact CZ3-CZ 3.83Å; L293-F299 HydrophobicContact CD1-CB 4.09Å; L293-F299 HydrophobicContact CD1-CD2 4.28Å; L293-F299 HydrophobicContact CD1-CG 4.25Å; L293-F299 HydrophobicContact CD2-CB 3.74Å; L293-F299 HydrophobicContact CD2-CD1 4.12Å; L293-F299 HydrophobicContact CD2-CG 3.95Å; L293-F299 HydrophobicContact CG-CB 4.48Å; S295-F299 PolarHBondContact O-N 2.92Å; S295-F299 VanDerWaalsContact O-N 3.14Å; L296-F299 PolarHBondContact O-N 3.26Å; S297-F299 VanDerWaalsContact C-N 3.3Å; S297-F299 PolarHBondContact O-N 3.36Å; F299-F302 HydrophobicContact CD2-CD1 4.08Å; F299-F302 AromaticContact CE2-CD1 3.87Å; F299-F302 HydrophobicContact CE2-CD1 3.87Å; F299-F302 HydrophobicContact CE2-CE1 4.22Å; F299-F302 WeakPolarHBondContact O-CB 3.26Å; F299-F302 PolarHBondContact O-N 3.44Å; F299-L303 HydrophobicContact CD1-CD1 3.73Å; F299-L303 HydrophobicContact CD1-CG 4.3Å; F299-L303 HydrophobicContact CE1-CD1 3.76Å; F299-L303 HydrophobicContact CE1-CD2 4.44Å; F299-L303 HydrophobicContact CE1-CG 4.19Å; F299-L303 WeakPolarHBondContact O-CG 3.31Å; F299-L303 PolarHBondContact O-N 3.35Å; F299-V333 HydrophobicContact CE1-CG1 4.49Å; F299-F334 HydrophobicContact CZ-CB 4.24Å; F299-F334 HydrophobicContact CZ-CD2 4.22Å; F299-L380 HydrophobicContact CB-CD2 4.35Å; F299-L380 HydrophobicContact CD1-CD1 3.65Å; F299-L380 HydrophobicContact CD1-CD2 3.75Å; F299-L380 HydrophobicContact CD1-CG 4.38Å; F299-L380 HydrophobicContact CE1-CD1 3.76Å
300	I	98	Very high	96.3	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-63.9	-41.6	170.6	-67	-60.3	0	0	0	111.2	L296 S297 F302 L303 I304 I341 L380 F383 F384	L296-I300 WeakPolarHBondContact O-CG1 3.34Å; L296-I300 PolarHBondContact O-N 3.35Å; S297-I300 PolarHBondContact O-N 2.88Å; I300-F302 VanDerWaalsContact C-N 3.25Å; I300-F302 PolarHBondContact O-N 2.89Å; I300-L303 HydrophobicContact CD1-CD1 4.02Å; I300-L303 PolarHBondContact O-N 3.42Å; I300-I304 HydrophobicContact CG2-CD1 3.78Å; I300-I304 HydrophobicContact CG2-CG1 4.32Å; I300-I304 WeakPolarHBondContact O-CG1 3.42Å; I300-I304 PolarHBondContact O-N 2.88Å; I300-I341 HydrophobicContact CD1-CD1 3.68Å; I300-L380 HydrophobicContact CD1-CB 4.14Å; I300-L380 HydrophobicContact CD1-CD2 3.9Å; I300-L380 WeakPolarHBondContact CD1-O 3.4Å; I300-L380 HydrophobicContact CG1-CD2 4.12Å; I300-F383 HydrophobicContact CG1-CD1 3.87Å; I300-F383 HydrophobicContact CG1-CE1 4.45Å; I300-F384 HydrophobicContact CD1-CB 4.05Å; I300-F384 HydrophobicContact CG2-CD2 3.96Å
301	D	97.4	Very high	96.4	Very high	45 Å²	45	28.7 Å²	28.7	24%	0.241	19%	0.185	C	C	.	.	H	α-helix	trans	-59.7	-38.1	173.4	-70	-37.6	0	0	0	111.9	Y261 S297 G305 R387	Y261-D301 WeakPolarHBondContact CE1-O 3.47Å; S297-D301 PolarHBondContact O-N 3.2Å; D301-G305 PolarHBondContact O-N 3.41Å; D301-R387 IonicContact OD1-CZ 2.67Å; D301-R387 IonicContact OD1-NH1 3.55Å; D301-R387 PolarHBondContact OD1-NH1 3.21Å; D301-R387 IonicContact OD1-NH2 3.15Å; D301-R387 PolarHBondContact OD1-NH2 2.97Å
302	F	98.3	Very high	96.3	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-65.8	-42.7	173.3	174	-111.6	0	0	0	112.8	C222 V224 Y261 L282 Y284 G298 F299 I300 G305 A306 F334	C222-F302 HydrophobicContact CB-CZ 4.12Å; V224-F302 HydrophobicContact CG2-CE1 3.93Å; V224-F302 HydrophobicContact CG2-CZ 4.44Å; Y261-F302 HydrophobicContact CD1-CB 3.82Å; Y261-F302 AromaticContact CD1-CD2 3.95Å; Y261-F302 HydrophobicContact CD1-CD2 3.95Å; Y261-F302 HydrophobicContact CD1-CG 4.41Å; Y261-F302 HydrophobicContact CD2-CD2 4.02Å; Y261-F302 HydrophobicContact CE1-CB 4.39Å; Y261-F302 HydrophobicContact CG-CB 4.32Å; Y261-F302 AromaticContact CG-CD2 3.6Å; Y261-F302 HydrophobicContact CG-CD2 3.6Å; Y261-F302 HydrophobicContact CG-CE2 4.46Å; Y261-F302 HydrophobicContact CG-CG 4.45Å; L282-F302 HydrophobicContact CB-CD2 4.4Å; L282-F302 HydrophobicContact CB-CE2 3.59Å; L282-F302 HydrophobicContact CB-CZ 4.35Å; Y284-F302 HydrophobicContact CD2-CB 3.73Å; Y284-F302 HydrophobicContact CD2-CD1 4.29Å; Y284-F302 HydrophobicContact CD2-CD2 4.41Å; Y284-F302 AromaticContact CD2-CG 3.92Å; Y284-F302 HydrophobicContact CD2-CG 3.92Å; Y284-F302 HydrophobicContact CE2-CB 4.35Å; Y284-F302 HydrophobicContact CG-CD1 4.27Å; Y284-F302 HydrophobicContact CG-CG 4.26Å; G298-F302 PolarHBondContact O-N 3.45Å; F299-F302 HydrophobicContact CD2-CD1 4.08Å; F299-F302 AromaticContact CE2-CD1 3.87Å; F299-F302 HydrophobicContact CE2-CD1 3.87Å; F299-F302 HydrophobicContact CE2-CE1 4.22Å; F299-F302 WeakPolarHBondContact O-CB 3.26Å; F299-F302 PolarHBondContact O-N 3.44Å; I300-F302 VanDerWaalsContact C-N 3.25Å; I300-F302 PolarHBondContact O-N 2.89Å; F302-G305 PolarHBondContact O-N 2.77Å; F302-A306 WeakPolarHBondContact O-CB 3.32Å; F302-A306 PolarHBondContact O-N 3.45Å; F302-F334 HydrophobicContact CD1-CD2 4.15Å; F302-F334 AromaticContact CD1-CE2 3.99Å; F302-F334 HydrophobicContact CD1-CE2 3.99Å; F302-F334 AromaticContact CE1-CD2 3.56Å; F302-F334 HydrophobicContact CE1-CD2 3.56Å; F302-F334 AromaticContact CE1-CE2 3.4Å; F302-F334 HydrophobicContact CE1-CE2 3.4Å; F302-F334 VanDerWaalsContact CE1-CE2 3.4Å; F302-F334 HydrophobicContact CZ-CE2 4.1Å
303	L	98.2	Very high	96.3	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-65.1	-43.2	177	-71.7	164.5	0	0	0	112	F299 I300 A306 R307 F334 A337 F338 I341	F299-L303 HydrophobicContact CD1-CD1 3.73Å; F299-L303 HydrophobicContact CD1-CG 4.3Å; F299-L303 HydrophobicContact CE1-CD1 3.76Å; F299-L303 HydrophobicContact CE1-CD2 4.44Å; F299-L303 HydrophobicContact CE1-CG 4.19Å; F299-L303 WeakPolarHBondContact O-CG 3.31Å; F299-L303 PolarHBondContact O-N 3.35Å; I300-L303 HydrophobicContact CD1-CD1 4.02Å; I300-L303 PolarHBondContact O-N 3.42Å; L303-A306 PolarHBondContact O-N 3.01Å; L303-R307 PolarHBondContact O-N 3.42Å; L303-F334 HydrophobicContact CD2-CD2 3.53Å; L303-F334 HydrophobicContact CD2-CE2 3.59Å; L303-F334 HydrophobicContact CD2-CG 4.28Å; L303-F334 HydrophobicContact CD2-CZ 4.35Å; L303-A337 HydrophobicContact CD1-CB 3.8Å; L303-F338 HydrophobicContact CD2-CB 3.8Å; L303-F338 HydrophobicContact CD2-CD2 4.26Å; L303-I341 HydrophobicContact CB-CD1 4.08Å; L303-I341 HydrophobicContact CD1-CD1 3.79Å
304	I	96.9	Very high	96	Very high	32 Å²	32	31.6 Å²	31.6	16%	0.164	17%	0.174	C	C	.	.	H	α-helix	trans	-62.1	-48.2	174.3	-67	167.9	0	0	0	109.8	I300 A306 R307 S308 F384	I300-I304 HydrophobicContact CG2-CD1 3.78Å; I300-I304 HydrophobicContact CG2-CG1 4.32Å; I300-I304 WeakPolarHBondContact O-CG1 3.42Å; I300-I304 PolarHBondContact O-N 2.88Å; I304-A306 VanDerWaalsContact C-N 3.33Å; I304-A306 PolarHBondContact O-N 3.07Å; I304-R307 WeakPolarHBondContact O-CA 3.41Å; I304-R307 WeakPolarHBondContact O-CB 3.45Å; I304-R307 PolarHBondContact O-N 3.04Å; I304-S308 PolarHBondContact O-N 3.02Å; I304-S308 PolarHBondContact O-OG 2.92Å; I304-F384 HydrophobicContact CD1-CD2 4.42Å; I304-F384 HydrophobicContact CD1-CE2 4.12Å; I304-F384 HydrophobicContact CG1-CE2 4.23Å
305	G	96.8	Very high	95.9	Very high	9 Å²	9	31.2 Å²	31.2	9%	0.093	16%	0.164	C	C	.	.	H	α-helix	trans	-58.2	-42.8	176.6	0	0	0	0	0	113.2	Y261 D301 F302 R307 S308 H309	Y261-G305 WeakPolarHBondContact OH-CA 3.38Å; D301-G305 PolarHBondContact O-N 3.41Å; F302-G305 PolarHBondContact O-N 2.77Å; G305-R307 VanDerWaalsContact C-N 3.3Å; G305-R307 PolarHBondContact O-N 2.82Å; G305-S308 PolarHBondContact O-N 3.13Å; G305-H309 PolarHBondContact O-CD2 3.09Å; G305-H309 VanDerWaalsContact O-CD2 3.24Å; G305-H309 PolarHBondContact O-N 2.84Å
306	A	98	Very high	95.4	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-61.7	-38.5	173.3	0	0	0	0	0	112	L220 L282 F302 L303 I304 H309 Y310 F334 F338	L220-A306 WeakPolarHBondContact CD2-O 3.39Å; L282-A306 VanDerWaalsContact CD1-CA 3.49Å; L282-A306 HydrophobicContact CD1-CB 3.84Å; F302-A306 WeakPolarHBondContact O-CB 3.32Å; F302-A306 PolarHBondContact O-N 3.45Å; L303-A306 PolarHBondContact O-N 3.01Å; I304-A306 VanDerWaalsContact C-N 3.33Å; I304-A306 PolarHBondContact O-N 3.07Å; A306-H309 PolarHBondContact O-N 2.63Å; A306-Y310 PolarHBondContact O-N 3.28Å; A306-F334 HydrophobicContact CB-CE2 4.31Å; A306-F334 HydrophobicContact CB-CZ 4.07Å; A306-F338 HydrophobicContact CB-CD2 4.13Å; A306-F338 HydrophobicContact CB-CE2 3.77Å
307	R	96.6	Very high	95.1	Very high	17 Å²	17	38.3 Å²	38.3	6%	0.064	19%	0.192	C	C	.	.	H	α-helix	trans	-64.9	-43.5	178.1	-175.6	-175.7	169.7	-77.7	3.4	111.1	E90 L303 I304 G305 H309 Y310 I311 F338 H342 M345	E90-R307 IonicContact OE1-NH1 3.67Å; E90-R307 IonicContact OE2-NH1 3.65Å; L303-R307 PolarHBondContact O-N 3.42Å; I304-R307 WeakPolarHBondContact O-CA 3.41Å; I304-R307 WeakPolarHBondContact O-CB 3.45Å; I304-R307 PolarHBondContact O-N 3.04Å; G305-R307 VanDerWaalsContact C-N 3.3Å; G305-R307 PolarHBondContact O-N 2.82Å; R307-H309 PolarHBondContact O-N 3.37Å; R307-Y310 WeakPolarHBondContact O-CB 3.3Å; R307-Y310 PolarHBondContact O-N 3.07Å; R307-I311 HydrophobicContact CG-CG2 4.22Å; R307-I311 WeakPolarHBondContact O-CG1 3.36Å; R307-I311 PolarHBondContact O-N 3.29Å; R307-F338 HydrophobicContact CB-CE2 4Å; R307-F338 HydrophobicContact CB-CZ 4.12Å; R307-F338 HydrophobicContact CG-CZ 4.49Å; R307-H342 PolarHBondContact NE-ND1 2.8Å; R307-M345 WeakPolarHBondContact CD-SD 3.41Å; R307-M345 PolarHBondContact NE-SD 2.92Å
308	S	95.7	Very high	95	Very high	23 Å²	23	36.8 Å²	36.8	16%	0.161	18%	0.179	C	C	.	.	H	α-helix	trans	-60.1	-32.9	178	-50.8	0	0	0	0	112.4	E90 I304 G305 I311	E90-S308 WeakPolarHBondContact OE1-CB 3.3Å; E90-S308 PolarHBondContact OE1-OG 3.13Å; I304-S308 PolarHBondContact O-N 3.02Å; I304-S308 PolarHBondContact O-OG 2.92Å; G305-S308 PolarHBondContact O-N 3.13Å; S308-I311 VanDerWaalsContact O-CG1 3.27Å; S308-I311 WeakPolarHBondContact O-CG1 3.41Å
309	H	96	Very high	95	Very high	21 Å²	21	37 Å²	37	10%	0.097	18%	0.181	C	C	.	.	H	α-helix	trans	-77.4	-34.6	171.5	-74.4	-73.6	0	0	0	113.2	L220 E263 G305 A306 R307 V312	L220-H309 HydrophobicContact CD1-CB 3.92Å; L220-H309 HydrophobicContact CD2-CB 4.04Å; E263-H309 IonicContact OE1-CE1 3.34Å; E263-H309 IonicContact OE1-NE2 3.84Å; E263-H309 IonicContact OE2-NE2 3.94Å; E263-H309 PolarHBondContact OE2-NE2 3.36Å; G305-H309 PolarHBondContact O-CD2 3.09Å; G305-H309 VanDerWaalsContact O-CD2 3.24Å; G305-H309 PolarHBondContact O-N 2.84Å; A306-H309 PolarHBondContact O-N 2.63Å; R307-H309 PolarHBondContact O-N 3.37Å; H309-V312 WeakPolarHBondContact O-CG2 3.28Å
310	Y	95.9	Very high	95	Very high	10 Å²	10	37 Å²	37	4%	0.039	18%	0.181	C	C	.	.	H	α-helix	trans	-64.9	-45.9	177.8	166.2	-115.9	0	0	0	112.6	P193 A306 R307 V312 Q313 I320 F338 H342	P193-Y310 HydrophobicContact CB-CD2 4.04Å; P193-Y310 HydrophobicContact CB-CE1 4.21Å; P193-Y310 HydrophobicContact CB-CE2 3.5Å; P193-Y310 VanDerWaalsContact CB-CE2 3.5Å; A306-Y310 PolarHBondContact O-N 3.28Å; R307-Y310 WeakPolarHBondContact O-CB 3.3Å; R307-Y310 PolarHBondContact O-N 3.07Å; Y310-V312 PolarHBondContact O-N 3.47Å; Y310-V312 VanDerWaalsContact O-N 3.09Å; Y310-Q313 WeakPolarHBondContact O-CB 3.38Å; Y310-Q313 WeakPolarHBondContact O-CG 3.23Å; Y310-Q313 PolarHBondContact O-N 3.35Å; Y310-Q313 VanDerWaalsContact O-N 3.09Å; Y310-I320 HydrophobicContact CD2-CD1 3.85Å; Y310-I320 HydrophobicContact CD2-CG1 4.12Å; Y310-I320 HydrophobicContact CG-CD1 3.96Å; Y310-F338 HydrophobicContact CD1-CE1 4.1Å; Y310-F338 AromaticContact CD1-CZ 3.93Å; Y310-F338 HydrophobicContact CD1-CZ 3.93Å; Y310-F338 HydrophobicContact CG-CE1 4.42Å; Y310-F338 HydrophobicContact CG-CZ 4.01Å; Y310-H342 AromaticContact CE1-CE1 3.58Å; Y310-H342 AromaticContact CE1-ND1 3.93Å; Y310-H342 AromaticContact CE1-NE2 3.78Å
311	I	93.8	Very high	95	Very high	39 Å²	39	37 Å²	37	20%	0.2	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-21.7	-174.3	57.6	178.9	0	0	0	113.7	E90 R307 S308	E90-I311 HydrophobicContact CG-CD1 4.3Å; R307-I311 HydrophobicContact CG-CG2 4.22Å; R307-I311 WeakPolarHBondContact O-CG1 3.36Å; R307-I311 PolarHBondContact O-N 3.29Å; S308-I311 VanDerWaalsContact O-CG1 3.27Å; S308-I311 WeakPolarHBondContact O-CG1 3.41Å
312	V	92.9	Very high	95.1	Very high	54 Å²	54	34.9 Å²	34.9	33%	0.327	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104	2.2	180	-61.7	0	0	0	0	114.6	V81 L85 H309 Y310 R314	V81-V312 HydrophobicContact CG1-CB 4.48Å; L85-V312 HydrophobicContact CD1-CB 3.74Å; L85-V312 HydrophobicContact CD1-CG1 3.43Å; L85-V312 VanDerWaalsContact CD1-CG1 3.43Å; L85-V312 HydrophobicContact CD1-CG2 3.37Å; L85-V312 HydrophobicContact CD2-CB 4.45Å; L85-V312 HydrophobicContact CD2-CG1 3.27Å; L85-V312 HydrophobicContact CG-CG1 3.96Å; H309-V312 WeakPolarHBondContact O-CG2 3.28Å; Y310-V312 PolarHBondContact O-N 3.47Å; Y310-V312 VanDerWaalsContact O-N 3.09Å; V312-R314 PolarHBondContact O-N 2.79Å
313	Q	92.2	Very high	95.1	Very high	14 Å²	14	35 Å²	35	7%	0.065	17%	0.17	C	C	.	.	S	Bend	trans	-53.8	143.7	173.6	-75.6	-175.3	-24.9	0	0	109.9	E219 L220 Y310 L315 H318	E219-Q313 HydrophobicContact CB-CG 4.11Å; E219-Q313 WeakPolarHBondContact OE2-CA 3.36Å; L220-Q313 VanDerWaalsContact CB-NE2 3.33Å; Y310-Q313 WeakPolarHBondContact O-CB 3.38Å; Y310-Q313 WeakPolarHBondContact O-CG 3.23Å; Y310-Q313 PolarHBondContact O-N 3.35Å; Y310-Q313 VanDerWaalsContact O-N 3.09Å; Q313-L315 PolarHBondContact O-N 2.94Å; Q313-L315 VanDerWaalsContact O-N 3.14Å; Q313-H318 PolarHBondContact OE1-O 2.84Å
314	R	90.6	Very high	95	Very high	161 Å²	161	35.1 Å²	35.1	61%	0.608	17%	0.171	S	C	*	.	S	Bend	trans	-56.4	-36.7	-177.6	-176.7	177.5	58.8	93.3	-6.1	111.9	E219 V312 H318	E219-R314 WeakPolarHBondContact OE1-CB 3.32Å; E219-R314 IonicContact OE1-NE 3.97Å; E219-R314 PolarHBondContact OE2-N 2.9Å; V312-R314 PolarHBondContact O-N 2.79Å; R314-H318 PolarHBondContact NH2-CE1 2.86Å; R314-H318 VanDerWaalsContact NH2-CE1 3.28Å
315	L	90.8	Very high	95	Very high	77 Å²	77	34.2 Å²	34.2	40%	0.403	17%	0.166	S	C	.	.			trans	-136	120.7	174.1	-63.7	174.8	0	0	0	109.4	Q313 S317 H318	Q313-L315 PolarHBondContact O-N 2.94Å; Q313-L315 VanDerWaalsContact O-N 3.14Å; L315-S317 PolarHBondContact O-N 2.87Å; L315-S317 VanDerWaalsContact O-N 3.07Å; L315-H318 WeakPolarHBondContact O-CB 3.33Å; L315-H318 PolarHBondContact O-N 2.92Å
316	R	86.4	Confident	95	Very high	172 Å²	172	35.1 Å²	35.1	65%	0.649	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-14.2	175.3	-64.7	-174.5	-177.7	130.3	2.6	113.7	H318	R316-H318 VanDerWaalsContact C-N 3.29Å
317	S	89.9	Confident	95	Very high	79 Å²	79	35.1 Å²	35.1	55%	0.552	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-19.5	172.7	59.2	0	0	0	0	113.1	L315	L315-S317 PolarHBondContact O-N 2.87Å; L315-S317 VanDerWaalsContact O-N 3.07Å
318	H	95.1	Very high	95	Very high	17 Å²	17	35 Å²	35	8%	0.079	17%	0.169	C	C	.	.	S	Bend	trans	-66.6	135.9	174	-66.1	163.7	0	0	0	110.2	N217 E219 Q313 R314 L315 R316	N217-H318 PolarHBondContact O-ND1 2.8Å; E219-H318 IonicContact OE1-CE1 3.6Å; E219-H318 PolarHBondContact OE1-CE1 3.3Å; E219-H318 IonicContact OE1-CG 2.7Å; E219-H318 IonicContact OE1-ND1 3.14Å; E219-H318 PolarHBondContact OE1-ND1 2.79Å; Q313-H318 PolarHBondContact OE1-O 2.84Å; R314-H318 PolarHBondContact NH2-CE1 2.86Å; R314-H318 VanDerWaalsContact NH2-CE1 3.28Å; L315-H318 WeakPolarHBondContact O-CB 3.33Å; L315-H318 PolarHBondContact O-N 2.92Å; R316-H318 VanDerWaalsContact C-N 3.29Å
319	A	97.6	Very high	95	Very high	7 Å²	7	35.1 Å²	35.1	6%	0.058	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-79	145.8	-177.6	0	0	0	0	0	111.5	N194 V196	N194-A319 HydrophobicContact CB-CB 4.12Å; N194-A319 CarbonylContact O-C 3.54Å; N194-A319 WeakPolarHBondContact O-CA 3.36Å; V196-A319 HydrophobicContact CG2-CB 3.83Å
320	I	98.4	Very high	95.1	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	123	164.8	-56.6	175.8	0	0	0	107.7	P193 N194 F195 V196 L220 C222 Y310 V322 F338	P193-I320 HydrophobicContact CB-CD1 3.85Å; P193-I320 HydrophobicContact CB-CG1 4.22Å; P193-I320 HydrophobicContact CG-CD1 3.84Å; N194-I320 PolarHBondContact O-N 2.93Å; F195-I320 CarbonylContact C-O 3.58Å; F195-I320 VanDerWaalsContact CA-O 3.26Å; F195-I320 WeakPolarHBondContact CA-O 3.41Å; F195-I320 HydrophobicContact CD1-CB 3.88Å; F195-I320 HydrophobicContact CD1-CG2 4.43Å; F195-I320 HydrophobicContact CE1-CB 4.23Å; F195-I320 HydrophobicContact CE1-CD1 4.21Å; V196-I320 PolarHBondContact N-O 2.78Å; L220-I320 HydrophobicContact CB-CG2 4.48Å; L220-I320 HydrophobicContact CD2-CD1 4.19Å; L220-I320 HydrophobicContact CD2-CG1 4.2Å; L220-I320 HydrophobicContact CD2-CG2 4.09Å; L220-I320 HydrophobicContact CG-CG2 4.13Å; C222-I320 HydrophobicContact CB-CG2 4.42Å; Y310-I320 HydrophobicContact CD2-CD1 3.85Å; Y310-I320 HydrophobicContact CD2-CG1 4.12Å; Y310-I320 HydrophobicContact CG-CD1 3.96Å; I320-V322 HydrophobicContact CG2-CG2 4.12Å; I320-V322 PolarHBondContact O-N 2.85Å; I320-F338 HydrophobicContact CD1-CE1 3.85Å; I320-F338 HydrophobicContact CD1-CE2 4.18Å; I320-F338 HydrophobicContact CD1-CZ 3.64Å
321	C	98.7	Very high	95.2	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	114.6	174.1	-179.9	0	0	0	0	109.8	V196 I213 V218 L220 I221 C222	V196-C321 HydrophobicContact CB-CB 4.47Å; V196-C321 CarbonylContact O-C 3.51Å; V196-C321 WeakPolarHBondContact O-CA 3.49Å; I213-C321 HydrophobicContact CD1-CB 3.78Å; V218-C321 HydrophobicContact CG1-CB 3.62Å; V218-C321 HydrophobicContact CG2-CB 4.2Å; L220-C321 PolarHBondContact O-N 2.92Å; I221-C321 CarbonylContact C-O 3.59Å; I221-C321 VanDerWaalsContact CA-O 3.31Å; I221-C321 WeakPolarHBondContact CA-O 3.37Å; I221-C321 HydrophobicContact CG1-CB 4.18Å; I221-C321 HydrophobicContact CG2-CB 4.5Å; C222-C321 PolarHBondContact N-O 2.82Å
322	V	98.7	Very high	95.4	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	125.2	179.8	-173.2	0	0	0	0	109.3	F195 V196 V197 T198 C222 I320 F334	F195-V322 HydrophobicContact CD1-CG2 3.55Å; F195-V322 HydrophobicContact CE1-CG2 4.14Å; F195-V322 HydrophobicContact CG-CG2 4.43Å; V196-V322 PolarHBondContact O-N 3.35Å; V197-V322 WeakPolarHBondContact CA-O 3.39Å; T198-V322 PolarHBondContact N-O 2.8Å; C222-V322 WeakPolarHBondContact O-CA 3.32Å; I320-V322 HydrophobicContact CG2-CG2 4.12Å; I320-V322 PolarHBondContact O-N 2.85Å; V322-F334 HydrophobicContact CB-CD1 4.17Å; V322-F334 HydrophobicContact CG1-CB 4.13Å; V322-F334 HydrophobicContact CG1-CD1 3.51Å; V322-F334 HydrophobicContact CG1-CE1 4.22Å; V322-F334 HydrophobicContact CG1-CG 3.99Å; V322-F334 HydrophobicContact CG2-CD1 3.5Å; V322-F334 HydrophobicContact CG2-CE1 3.51Å
323	Q	97.9	Very high	95.6	Very high	4 Å²	4	29.7 Å²	29.7	2%	0.019	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	134.9	-175.1	-175	-177.7	-23.9	0	0	111	T198 A200 C222 S223 V224 M225	T198-Q323 HydrophobicContact CG2-CB 3.97Å; T198-Q323 HydrophobicContact CG2-CG 4.07Å; T198-Q323 WeakPolarHBondContact O-CA 3.35Å; A200-Q323 VanDerWaalsContact CA-NE2 3.34Å; C222-Q323 PolarHBondContact O-N 3.18Å; S223-Q323 CarbonylContact C-O 3.5Å; S223-Q323 VanDerWaalsContact CA-O 3.29Å; S223-Q323 WeakPolarHBondContact CA-O 3.16Å; V224-Q323 PolarHBondContact N-O 2.84Å; M225-Q323 HydrophobicContact CE-CG 3.81Å
324	S	97	Very high	95.9	Very high	2 Å²	2	29 Å²	29	1%	0.014	14%	0.137	C	C	.	.			trans	-131.7	-169.1	164.6	59.9	0	0	0	0	108	Q199 A200 V224 Y326 G327 S331	Q199-S324 CarbonylContact C-O 3.56Å; A200-S324 PolarHBondContact N-O 3.49Å; V224-S324 WeakPolarHBondContact O-CB 3.32Å; S324-Y326 VanDerWaalsContact C-N 3.33Å; S324-Y326 PolarHBondContact O-N 2.88Å; S324-G327 WeakPolarHBondContact OG-CA 3.45Å; S324-G327 PolarHBondContact OG-N 2.86Å; S324-S331 VanDerWaalsContact CB-OG 3.27Å; S324-S331 WeakPolarHBondContact CB-OG 3.32Å; S324-S331 PolarHBondContact N-OG 3.33Å; S324-S331 PolarHBondContact OG-OG 3.29Å
325	L	96.9	Very high	96.3	Very high	13 Å²	13	21.3 Å²	21.3	7%	0.068	11%	0.108	C	C	.	.	S	Bend	trans	-56	-47.1	177.1	-175.7	59.4	0	0	0	112.2	R158 A200 E229 V230 H289	R158-L325 WeakPolarHBondContact CD-O 3.38Å; A200-L325 HydrophobicContact CB-CD1 4.47Å; A200-L325 PolarHBondContact N-O 2.94Å; E229-L325 HydrophobicContact CB-CD1 4.39Å; V230-L325 HydrophobicContact CG2-CD1 4.17Å; H289-L325 HydrophobicContact CB-CD2 4.01Å
326	Y	97	Very high	96.7	Very high	27 Å²	27	17.7 Å²	17.7	11%	0.106	9%	0.089	C	C	.	.	S	Bend	trans	-114	-6.4	-176.8	-55.7	-66.1	0	0	0	114.8	R158 A159 L162 H289 S324 S328 R364	R158-Y326 HydrophobicContact CB-CD1 3.88Å; R158-Y326 HydrophobicContact CB-CE1 4.03Å; A159-Y326 HydrophobicContact CB-CD1 3.7Å; A159-Y326 HydrophobicContact CB-CE1 3.95Å; L162-Y326 VanDerWaalsContact CD1-CB 3.41Å; L162-Y326 HydrophobicContact CD1-CD1 4.44Å; L162-Y326 HydrophobicContact CD1-CD2 4.36Å; L162-Y326 HydrophobicContact CD1-CG 3.86Å; H289-Y326 AromaticContact CD2-CE2 3.87Å; H289-Y326 AromaticContact CE1-CD2 3.91Å; H289-Y326 AromaticContact CE1-CE2 3.57Å; H289-Y326 AromaticContact ND1-CE2 3.88Å; H289-Y326 AromaticContact NE2-CE2 3.54Å; S324-Y326 VanDerWaalsContact C-N 3.33Å; S324-Y326 PolarHBondContact O-N 2.88Å; Y326-S328 VanDerWaalsContact C-N 3.35Å; Y326-R364 PolarHBondContact O-NH2 2.63Å
327	G	96.9	Very high	97.2	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	6%	0.058	C	C	.	.	S	Bend	trans	67.7	34.1	-178	0	0	0	0	0	113.1	V197 T198 S324 R364	V197-G327 VanDerWaalsContact CG1-O 3.23Å; V197-G327 WeakPolarHBondContact CG1-O 3.29Å; T198-G327 WeakPolarHBondContact O-CA 3.34Å; S324-G327 WeakPolarHBondContact OG-CA 3.45Å; S324-G327 PolarHBondContact OG-N 2.86Å; G327-R364 WeakPolarHBondContact O-CD 3.13Å; G327-R364 PolarHBondContact O-NE 3.41Å
328	S	95.7	Very high	97.6	Very high	14 Å²	14	5.9 Å²	5.9	10%	0.098	3%	0.032	C	C	.	.	S	Bend	trans	-122.8	-141	-179.6	59.6	0	0	0	0	109.2	Y326 R330 S331 G332 R366 C367	Y326-S328 VanDerWaalsContact C-N 3.35Å; S328-R330 PolarHBondContact O-N 2.86Å; S328-R330 VanDerWaalsContact O-N 3.15Å; S328-S331 WeakPolarHBondContact O-CA 3.28Å; S328-S331 VanDerWaalsContact O-CB 3.27Å; S328-S331 WeakPolarHBondContact O-CB 3.46Å; S328-S331 PolarHBondContact O-N 3.25Å; S328-G332 PolarHBondContact O-N 2.83Å; S328-R366 CarbonylContact C-O 3.59Å; S328-R366 VanDerWaalsContact CB-O 3.32Å; S328-R366 WeakPolarHBondContact CB-O 3.13Å; S328-C367 CarbonylContact C-O 3.57Å
329	S	96.3	Very high	97.7	Very high	27 Å²	27	5 Å²	5	19%	0.189	3%	0.028	C	C	.	.	H	α-helix	trans	1.8	-86.9	167.8	165.8	0	0	0	0	115.8	S331 G332 V333 R366 C367 D373	S329-S331 VanDerWaalsContact C-N 3.27Å; S329-S331 PolarHBondContact O-N 3.06Å; S329-S331 VanDerWaalsContact O-N 3.13Å; S329-G332 CarbonylContact O-C 3.5Å; S329-G332 PolarHBondContact O-N 3.42Å; S329-V333 WeakPolarHBondContact O-CG2 3.34Å; S329-V333 PolarHBondContact O-N 2.96Å; S329-R366 PolarHBondContact N-O 3.16Å; S329-C367 CarbonylContact C-O 3.48Å; S329-C367 WeakPolarHBondContact CA-O 3.45Å; S329-C367 PolarHBondContact N-O 3.38Å; S329-D373 VanDerWaalsContact CA-OD2 3.3Å; S329-D373 WeakPolarHBondContact CA-OD2 3.27Å; S329-D373 WeakPolarHBondContact CB-OD2 3.5Å; S329-D373 VanDerWaalsContact OG-CG 3.23Å; S329-D373 PolarHBondContact OG-OD1 3.2Å; S329-D373 PolarHBondContact OG-OD2 3.45Å
330	R	97.6	Very high	97.6	Very high	9 Å²	9	4.7 Å²	4.7	3%	0.034	3%	0.026	C	C	.	.	H	α-helix	trans	-52	-39.9	-179.2	-70.2	-178.4	-68.6	174	-3.7	114.4	V224 E229 W287 H289 S328 F334	V224-R330 HydrophobicContact CB-CB 4.43Å; V224-R330 HydrophobicContact CG1-CB 4.06Å; V224-R330 PolarHBondContact O-NH1 2.83Å; E229-R330 VanDerWaalsContact CD-NH1 3.29Å; E229-R330 IonicContact OE1-CZ 2.74Å; E229-R330 VanDerWaalsContact OE1-CZ 3.28Å; E229-R330 IonicContact OE1-NH1 3.52Å; E229-R330 PolarHBondContact OE1-NH1 2.8Å; E229-R330 IonicContact OE1-NH2 3.49Å; E229-R330 PolarHBondContact OE1-NH2 3.3Å; E229-R330 IonicContact OE2-CZ 3.35Å; E229-R330 IonicContact OE2-NH1 3.45Å; E229-R330 PolarHBondContact OE2-NH1 3.44Å; E229-R330 IonicContact OE2-NH2 3.32Å; W287-R330 HydrophobicContact CD2-CG 3.9Å; W287-R330 HydrophobicContact CE3-CG 4.2Å; W287-R330 HydrophobicContact CG-CG 4.45Å; W287-R330 HydrophobicContact CH2-CG 4.08Å; W287-R330 HydrophobicContact CZ2-CG 3.8Å; W287-R330 HydrophobicContact CZ3-CG 4.29Å; W287-R330 PolarHBondContact O-NH1 3.21Å; H289-R330 VanDerWaalsContact N-NH1 3.2Å; S328-R330 PolarHBondContact O-N 2.86Å; S328-R330 VanDerWaalsContact O-N 3.15Å; R330-F334 PolarHBondContact O-N 2.81Å
331	S	98.3	Very high	97.5	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-69.4	-39.2	176.4	-63.3	0	0	0	0	111.9	S324 S328 S329 F334 C335	S324-S331 VanDerWaalsContact CB-OG 3.27Å; S324-S331 WeakPolarHBondContact CB-OG 3.32Å; S324-S331 PolarHBondContact N-OG 3.33Å; S324-S331 PolarHBondContact OG-OG 3.29Å; S328-S331 WeakPolarHBondContact O-CA 3.28Å; S328-S331 VanDerWaalsContact O-CB 3.27Å; S328-S331 WeakPolarHBondContact O-CB 3.46Å; S328-S331 PolarHBondContact O-N 3.25Å; S329-S331 VanDerWaalsContact C-N 3.27Å; S329-S331 PolarHBondContact O-N 3.06Å; S329-S331 VanDerWaalsContact O-N 3.13Å; S331-F334 WeakPolarHBondContact O-CB 3.23Å; S331-F334 PolarHBondContact O-N 3.27Å; S331-C335 PolarHBondContact O-N 3.28Å; S331-C335 PolarHBondContact O-SG 3.24Å
332	G	98	Very high	97.3	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-73.3	-36.3	176.1	0	0	0	0	0	113	S328 S329 F334 C335 L336 C367	S328-G332 PolarHBondContact O-N 2.83Å; S329-G332 CarbonylContact O-C 3.5Å; S329-G332 PolarHBondContact O-N 3.42Å; G332-F334 VanDerWaalsContact C-N 3.29Å; G332-F334 PolarHBondContact O-N 3.43Å; G332-C335 PolarHBondContact O-N 3.47Å; G332-L336 WeakPolarHBondContact O-CB 3.04Å; G332-L336 PolarHBondContact O-N 3.05Å; G332-C367 WeakPolarHBondContact CA-O 3.39Å; G332-C367 PolarHBondContact N-O 3.03Å
333	V	98.3	Very high	97	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-57.6	-44.8	170	174.7	0	0	0	0	110.1	W287 F299 S329 A337 I368 D373 L376 L380	W287-V333 HydrophobicContact CH2-CB 4.03Å; W287-V333 HydrophobicContact CH2-CG1 3.85Å; W287-V333 HydrophobicContact CH2-CG2 4.25Å; W287-V333 HydrophobicContact CZ3-CB 4.46Å; W287-V333 HydrophobicContact CZ3-CG1 4.15Å; F299-V333 HydrophobicContact CE1-CG1 4.49Å; S329-V333 WeakPolarHBondContact O-CG2 3.34Å; S329-V333 PolarHBondContact O-N 2.96Å; V333-A337 WeakPolarHBondContact O-CB 3.47Å; V333-A337 PolarHBondContact O-N 2.91Å; V333-I368 HydrophobicContact CG2-CD1 4Å; V333-D373 HydrophobicContact CG2-CB 3.94Å; V333-L376 HydrophobicContact CG1-CD2 4.19Å; V333-L376 HydrophobicContact CG1-CG 4.28Å; V333-L380 HydrophobicContact CG1-CD1 3.81Å
334	F	98.6	Very high	96.7	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-58.7	-52.4	172.4	176	-86	0	0	0	111.9	F195 C222 V224 F299 F302 L303 A306 V322 R330 S331 G332 L336 A337 F338	F195-F334 HydrophobicContact CE1-CE1 4.19Å; C222-F334 HydrophobicContact CB-CE1 3.88Å; C222-F334 HydrophobicContact CB-CE2 3.89Å; C222-F334 HydrophobicContact CB-CZ 3.48Å; C222-F334 VanDerWaalsContact CB-CZ 3.48Å; C222-F334 WeakPolarHBondContact SG-CZ 3.39Å; V224-F334 HydrophobicContact CG2-CB 4.1Å; V224-F334 HydrophobicContact CG2-CD2 4.1Å; V224-F334 HydrophobicContact CG2-CG 4.29Å; F299-F334 HydrophobicContact CZ-CB 4.24Å; F299-F334 HydrophobicContact CZ-CD2 4.22Å; F302-F334 HydrophobicContact CD1-CD2 4.15Å; F302-F334 AromaticContact CD1-CE2 3.99Å; F302-F334 HydrophobicContact CD1-CE2 3.99Å; F302-F334 AromaticContact CE1-CD2 3.56Å; F302-F334 HydrophobicContact CE1-CD2 3.56Å; F302-F334 AromaticContact CE1-CE2 3.4Å; F302-F334 HydrophobicContact CE1-CE2 3.4Å; F302-F334 VanDerWaalsContact CE1-CE2 3.4Å; F302-F334 HydrophobicContact CZ-CE2 4.1Å; L303-F334 HydrophobicContact CD2-CD2 3.53Å; L303-F334 HydrophobicContact CD2-CE2 3.59Å; L303-F334 HydrophobicContact CD2-CG 4.28Å; L303-F334 HydrophobicContact CD2-CZ 4.35Å; A306-F334 HydrophobicContact CB-CE2 4.31Å; A306-F334 HydrophobicContact CB-CZ 4.07Å; V322-F334 HydrophobicContact CB-CD1 4.17Å; V322-F334 HydrophobicContact CG1-CB 4.13Å; V322-F334 HydrophobicContact CG1-CD1 3.51Å; V322-F334 HydrophobicContact CG1-CE1 4.22Å; V322-F334 HydrophobicContact CG1-CG 3.99Å; V322-F334 HydrophobicContact CG2-CD1 3.5Å; V322-F334 HydrophobicContact CG2-CE1 3.51Å; R330-F334 PolarHBondContact O-N 2.81Å; S331-F334 WeakPolarHBondContact O-CB 3.23Å; S331-F334 PolarHBondContact O-N 3.27Å; G332-F334 VanDerWaalsContact C-N 3.29Å; G332-F334 PolarHBondContact O-N 3.43Å; F334-L336 VanDerWaalsContact C-N 3.33Å; F334-L336 PolarHBondContact O-N 3.15Å; F334-A337 PolarHBondContact O-N 2.73Å; F334-F338 HydrophobicContact CE1-CB 4.27Å; F334-F338 HydrophobicContact CE1-CD2 4.3Å; F334-F338 HydrophobicContact CE1-CG 4.42Å; F334-F338 HydrophobicContact CE2-CD2 4.49Å; F334-F338 HydrophobicContact CZ-CB 4.44Å; F334-F338 AromaticContact CZ-CD2 3.86Å; F334-F338 HydrophobicContact CZ-CD2 3.86Å; F334-F338 HydrophobicContact CZ-CG 4.41Å; F334-F338 WeakPolarHBondContact O-CB 3.3Å; F334-F338 PolarHBondContact O-N 3.01Å
335	C	98.5	Very high	96.3	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-59.2	-44.8	-176.4	-65.9	0	0	0	0	111.9	I188 F195 S331 G332 S339 L360	I188-C335 HydrophobicContact CD1-CB 4.11Å; F195-C335 HydrophobicContact CD2-CB 4.18Å; F195-C335 HydrophobicContact CE1-CB 4.37Å; F195-C335 HydrophobicContact CE2-CB 4.01Å; F195-C335 HydrophobicContact CG-CB 4.43Å; F195-C335 HydrophobicContact CZ-CB 4.06Å; S331-C335 PolarHBondContact O-N 3.28Å; S331-C335 PolarHBondContact O-SG 3.24Å; G332-C335 PolarHBondContact O-N 3.47Å; C335-S339 WeakPolarHBondContact O-CB 3.38Å; C335-S339 PolarHBondContact O-N 3.27Å; C335-S339 PolarHBondContact O-OG 2.77Å; C335-L360 HydrophobicContact CB-CD2 3.97Å
336	L	98.1	Very high	96	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-66.7	-54.6	-179.8	-171.2	160.8	0	0	0	110.8	G332 F334 F338 S339 A340 I353 M356 V357 L360 I368 C377 I381	G332-L336 WeakPolarHBondContact O-CB 3.04Å; G332-L336 PolarHBondContact O-N 3.05Å; F334-L336 VanDerWaalsContact C-N 3.33Å; F334-L336 PolarHBondContact O-N 3.15Å; L336-F338 VanDerWaalsContact C-N 3.33Å; L336-F338 PolarHBondContact O-N 3.26Å; L336-S339 PolarHBondContact O-N 2.97Å; L336-A340 WeakPolarHBondContact O-CB 3.27Å; L336-A340 PolarHBondContact O-N 2.78Å; L336-I353 HydrophobicContact CD1-CG2 4.04Å; L336-I353 HydrophobicContact CD2-CD1 4.26Å; L336-I353 HydrophobicContact CD2-CG2 4.12Å; L336-M356 HydrophobicContact CD1-CB 4.35Å; L336-M356 HydrophobicContact CG-CB 4.27Å; L336-M356 HydrophobicContact CG-CE 4.08Å; L336-M356 WeakPolarHBondContact O-CE 3.21Å; L336-V357 HydrophobicContact CD1-CG2 3.74Å; L336-L360 HydrophobicContact CB-CD1 3.96Å; L336-L360 HydrophobicContact CD1-CD1 4.29Å; L336-I368 HydrophobicContact CD1-CD1 4.22Å; L336-I368 HydrophobicContact CD1-CG1 4.28Å; L336-C377 HydrophobicContact CD1-CB 4.34Å; L336-C377 HydrophobicContact CD2-CB 3.69Å; L336-I381 HydrophobicContact CD2-CD1 4.06Å
337	A	97.9	Very high	95.4	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-62	-41.9	-178.9	0	0	0	0	0	111.5	L303 V333 F334 S339 A340 I341 L380	L303-A337 HydrophobicContact CD1-CB 3.8Å; V333-A337 WeakPolarHBondContact O-CB 3.47Å; V333-A337 PolarHBondContact O-N 2.91Å; F334-A337 PolarHBondContact O-N 2.73Å; A337-S339 PolarHBondContact O-N 3.02Å; A337-A340 PolarHBondContact O-N 3.15Å; A337-I341 WeakPolarHBondContact O-CB 3.41Å; A337-I341 WeakPolarHBondContact O-CG1 3.26Å; A337-I341 PolarHBondContact O-N 3.47Å; A337-L380 HydrophobicContact CB-CB 4.45Å; A337-L380 HydrophobicContact CB-CD1 4.1Å
338	F	98.1	Very high	94.8	Very high	3 Å²	3	9.1 Å²	9.1	1%	0.013	5%	0.053	C	C	.	.	H	α-helix	trans	-57.9	-50.6	175.2	-177.4	-80	0	0	0	111.2	P193 F195 L303 A306 R307 Y310 I320 F334 L336 A340 I341 H342	P193-F338 HydrophobicContact CB-CE1 4.48Å; P193-F338 HydrophobicContact CG-CD1 3.73Å; P193-F338 HydrophobicContact CG-CE1 3.5Å; F195-F338 HydrophobicContact CE1-CD1 4.31Å; F195-F338 HydrophobicContact CZ-CB 4.5Å; F195-F338 HydrophobicContact CZ-CD1 4.01Å; L303-F338 HydrophobicContact CD2-CB 3.8Å; L303-F338 HydrophobicContact CD2-CD2 4.26Å; A306-F338 HydrophobicContact CB-CD2 4.13Å; A306-F338 HydrophobicContact CB-CE2 3.77Å; R307-F338 HydrophobicContact CB-CE2 4Å; R307-F338 HydrophobicContact CB-CZ 4.12Å; R307-F338 HydrophobicContact CG-CZ 4.49Å; Y310-F338 HydrophobicContact CD1-CE1 4.1Å; Y310-F338 AromaticContact CD1-CZ 3.93Å; Y310-F338 HydrophobicContact CD1-CZ 3.93Å; Y310-F338 HydrophobicContact CG-CE1 4.42Å; Y310-F338 HydrophobicContact CG-CZ 4.01Å; I320-F338 HydrophobicContact CD1-CE1 3.85Å; I320-F338 HydrophobicContact CD1-CE2 4.18Å; I320-F338 HydrophobicContact CD1-CZ 3.64Å; F334-F338 HydrophobicContact CE1-CB 4.27Å; F334-F338 HydrophobicContact CE1-CD2 4.3Å; F334-F338 HydrophobicContact CE1-CG 4.42Å; F334-F338 HydrophobicContact CE2-CD2 4.49Å; F334-F338 HydrophobicContact CZ-CB 4.44Å; F334-F338 AromaticContact CZ-CD2 3.86Å; F334-F338 HydrophobicContact CZ-CD2 3.86Å; F334-F338 HydrophobicContact CZ-CG 4.41Å; F334-F338 WeakPolarHBondContact O-CB 3.3Å; F334-F338 PolarHBondContact O-N 3.01Å; L336-F338 VanDerWaalsContact C-N 3.33Å; L336-F338 PolarHBondContact O-N 3.26Å; F338-A340 PolarHBondContact O-N 2.85Å; F338-I341 PolarHBondContact O-N 2.82Å; F338-H342 HydrophobicContact CD1-CB 4.47Å; F338-H342 HydrophobicContact CE1-CB 4.25Å; F338-H342 VanDerWaalsContact O-CB 3.28Å; F338-H342 WeakPolarHBondContact O-CB 3.33Å; F338-H342 PolarHBondContact O-N 2.87Å
339	S	97.4	Very high	94.3	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-67.7	-38.1	-176	-61.4	0	0	0	0	111.8	I188 F195 C335 L336 A337 H342 E343	I188-S339 VanDerWaalsContact CD1-OG 3.28Å; I188-S339 WeakPolarHBondContact CD1-OG 3.22Å; I188-S339 WeakPolarHBondContact CG1-OG 3.05Å; F195-S339 WeakPolarHBondContact CE2-OG 3.48Å; F195-S339 WeakPolarHBondContact CZ-OG 3.27Å; C335-S339 WeakPolarHBondContact O-CB 3.38Å; C335-S339 PolarHBondContact O-N 3.27Å; C335-S339 PolarHBondContact O-OG 2.77Å; L336-S339 PolarHBondContact O-N 2.97Å; A337-S339 PolarHBondContact O-N 3.02Å; S339-H342 PolarHBondContact O-N 3.21Å; S339-E343 WeakPolarHBondContact O-CB 3.44Å; S339-E343 PolarHBondContact O-N 3.33Å
340	A	95.9	Very high	93.9	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-64.2	-47.1	174.5	0	0	0	0	0	112	L336 A337 F338 H342 E343 I344 P351 I353 M356 I381	L336-A340 WeakPolarHBondContact O-CB 3.27Å; L336-A340 PolarHBondContact O-N 2.78Å; A337-A340 PolarHBondContact O-N 3.15Å; F338-A340 PolarHBondContact O-N 2.85Å; A340-H342 VanDerWaalsContact C-N 3.33Å; A340-H342 PolarHBondContact O-N 3.05Å; A340-E343 PolarHBondContact O-N 3.16Å; A340-I344 WeakPolarHBondContact O-CB 3.46Å; A340-I344 VanDerWaalsContact O-CD1 3.31Å; A340-I344 WeakPolarHBondContact O-CD1 3.2Å; A340-I344 WeakPolarHBondContact O-CG1 3.39Å; A340-I344 PolarHBondContact O-N 2.99Å; A340-P351 HydrophobicContact CB-CG 3.86Å; A340-I353 HydrophobicContact CB-CD1 4.37Å; A340-M356 HydrophobicContact CB-CE 4.43Å; A340-I381 HydrophobicContact CB-CD1 3.47Å; A340-I381 VanDerWaalsContact CB-CD1 3.47Å; A340-I381 HydrophobicContact CB-CG1 3.84Å
341	I	94.9	Very high	93.6	Very high	2 Å²	2	14.3 Å²	14.3	1%	0.01	8%	0.08	C	C	.	.	H	α-helix	trans	-61.1	-43.8	176	-71.2	172.3	0	0	0	110.8	I300 L303 A337 F338 I344 M345 F384	I300-I341 HydrophobicContact CD1-CD1 3.68Å; L303-I341 HydrophobicContact CB-CD1 4.08Å; L303-I341 HydrophobicContact CD1-CD1 3.79Å; A337-I341 WeakPolarHBondContact O-CB 3.41Å; A337-I341 WeakPolarHBondContact O-CG1 3.26Å; A337-I341 PolarHBondContact O-N 3.47Å; F338-I341 PolarHBondContact O-N 2.82Å; I341-I344 PolarHBondContact O-N 2.8Å; I341-M345 HydrophobicContact CG2-CG 4.41Å; I341-M345 HydrophobicContact CG2-SD 3.87Å; I341-M345 WeakPolarHBondContact O-CB 3.43Å; I341-M345 VanDerWaalsContact O-CG 3.26Å; I341-M345 WeakPolarHBondContact O-CG 3.32Å; I341-M345 PolarHBondContact O-N 3.11Å; I341-F384 HydrophobicContact CB-CD1 4.39Å; I341-F384 HydrophobicContact CB-CE1 4.41Å; I341-F384 HydrophobicContact CD1-CB 4.16Å; I341-F384 HydrophobicContact CD1-CD2 4.15Å; I341-F384 HydrophobicContact CD1-CG 4.02Å; I341-F384 HydrophobicContact CG1-CB 4.12Å; I341-F384 HydrophobicContact CG1-CD1 3.82Å; I341-F384 HydrophobicContact CG1-CD2 4.18Å; I341-F384 HydrophobicContact CG1-CE1 4.33Å; I341-F384 HydrophobicContact CG1-CG 3.75Å; I341-F384 HydrophobicContact CG2-CD1 4.22Å; I341-F384 HydrophobicContact CG2-CD2 4.08Å; I341-F384 HydrophobicContact CG2-CE1 3.9Å; I341-F384 HydrophobicContact CG2-CE2 3.76Å; I341-F384 HydrophobicContact CG2-CG 4.31Å; I341-F384 HydrophobicContact CG2-CZ 3.68Å
342	H	94.6	Very high	93.4	Very high	15 Å²	15	21 Å²	21	7%	0.069	11%	0.111	C	C	.	.	H	α-helix	trans	-61.6	-45.5	178.1	-177.9	71.5	0	0	0	112	N191 R307 Y310 F338 S339 A340 M345 T346	N191-H342 PolarHBondContact O-CD2 3.45Å; N191-H342 PolarHBondContact O-NE2 2.82Å; N191-H342 VanDerWaalsContact O-NE2 3.13Å; R307-H342 PolarHBondContact NE-ND1 2.8Å; Y310-H342 AromaticContact CE1-CE1 3.58Å; Y310-H342 AromaticContact CE1-ND1 3.93Å; Y310-H342 AromaticContact CE1-NE2 3.78Å; F338-H342 HydrophobicContact CD1-CB 4.47Å; F338-H342 HydrophobicContact CE1-CB 4.25Å; F338-H342 VanDerWaalsContact O-CB 3.28Å; F338-H342 WeakPolarHBondContact O-CB 3.33Å; F338-H342 PolarHBondContact O-N 2.87Å; S339-H342 PolarHBondContact O-N 3.21Å; A340-H342 VanDerWaalsContact C-N 3.33Å; A340-H342 PolarHBondContact O-N 3.05Å; H342-M345 PolarHBondContact O-N 3.42Å; H342-T346 VanDerWaalsContact O-CB 3.31Å; H342-T346 WeakPolarHBondContact O-CB 3.29Å; H342-T346 PolarHBondContact O-N 3.39Å; H342-T346 PolarHBondContact O-OG1 2.84Å
343	E	92.7	Very high	93.2	Very high	7 Å²	7	21.4 Å²	21.4	3%	0.033	11%	0.114	C	C	.	.	H	α-helix	trans	-62.9	-45	177.1	-172.3	66.6	-149.8	0	0	111.6	C189 N191 S339 A340 M345 T346 N347 P351	C189-E343 PolarHBondContact SG-OE2 3.34Å; N191-E343 VanDerWaalsContact CB-OE2 3.29Å; N191-E343 WeakPolarHBondContact CB-OE2 3.33Å; N191-E343 PolarHBondContact N-OE2 3.35Å; N191-E343 VanDerWaalsContact N-OE2 3.14Å; N191-E343 PolarHBondContact ND2-OE1 3.06Å; N191-E343 VanDerWaalsContact ND2-OE1 3.1Å; N191-E343 PolarHBondContact ND2-OE2 2.77Å; S339-E343 WeakPolarHBondContact O-CB 3.44Å; S339-E343 PolarHBondContact O-N 3.33Å; A340-E343 PolarHBondContact O-N 3.16Å; E343-M345 VanDerWaalsContact C-N 3.34Å; E343-M345 PolarHBondContact O-N 3.05Å; E343-T346 PolarHBondContact O-N 3.43Å; E343-N347 PolarHBondContact O-N 3.33Å; E343-N347 PolarHBondContact OE1-ND2 3.48Å; E343-P351 HydrophobicContact CB-CG 4.36Å; E343-P351 HydrophobicContact CG-CB 4.5Å; E343-P351 HydrophobicContact CG-CG 4.44Å
344	I	91.8	Very high	93	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-59.6	-45.4	176	-67.7	160.3	0	0	0	110.4	M95 L102 A340 I341 T346 G348 L349 V350 I381 F384 L385 L388	M95-I344 HydrophobicContact CE-CG2 4.42Å; M95-I344 WeakPolarHBondContact CE-O 3.42Å; M95-I344 VanDerWaalsContact SD-O 3.4Å; L102-I344 HydrophobicContact CD1-CG2 4.26Å; A340-I344 WeakPolarHBondContact O-CB 3.46Å; A340-I344 VanDerWaalsContact O-CD1 3.31Å; A340-I344 WeakPolarHBondContact O-CD1 3.2Å; A340-I344 WeakPolarHBondContact O-CG1 3.39Å; A340-I344 PolarHBondContact O-N 2.99Å; I341-I344 PolarHBondContact O-N 2.8Å; I344-T346 VanDerWaalsContact C-N 3.28Å; I344-T346 PolarHBondContact O-N 3.07Å; I344-G348 WeakPolarHBondContact O-CA 3.49Å; I344-G348 PolarHBondContact O-N 3.39Å; I344-L349 WeakPolarHBondContact CA-O 3.36Å; I344-L349 VanDerWaalsContact CG1-O 3.3Å; I344-L349 WeakPolarHBondContact CG1-O 3.37Å; I344-L349 PolarHBondContact N-O 3.06Å; I344-V350 HydrophobicContact CD1-CG2 3.86Å; I344-V350 HydrophobicContact CG1-CG2 3.86Å; I344-I381 HydrophobicContact CD1-CG2 3.89Å; I344-F384 HydrophobicContact CB-CE1 4.36Å; I344-F384 HydrophobicContact CD1-CD1 4.46Å; I344-F384 HydrophobicContact CG2-CE1 3.95Å; I344-L385 HydrophobicContact CD1-CD2 4.05Å; I344-L385 HydrophobicContact CD1-CG 4.29Å; I344-L385 HydrophobicContact CG2-CD2 3.8Å; I344-L388 HydrophobicContact CG2-CD2 4.05Å
345	M	89.8	Confident	92.8	Very high	6 Å²	6	27.6 Å²	27.6	3%	0.03	15%	0.146	C	C	.	.	H	α-helix	trans	-70.4	-24.1	179.7	-70.2	-179.3	77.7	0	0	113.5	E90 R307 I341 H342 E343 F384	E90-M345 HydrophobicContact CB-CE 4.47Å; R307-M345 WeakPolarHBondContact CD-SD 3.41Å; R307-M345 PolarHBondContact NE-SD 2.92Å; I341-M345 HydrophobicContact CG2-CG 4.41Å; I341-M345 HydrophobicContact CG2-SD 3.87Å; I341-M345 WeakPolarHBondContact O-CB 3.43Å; I341-M345 VanDerWaalsContact O-CG 3.26Å; I341-M345 WeakPolarHBondContact O-CG 3.32Å; I341-M345 PolarHBondContact O-N 3.11Å; H342-M345 PolarHBondContact O-N 3.42Å; E343-M345 VanDerWaalsContact C-N 3.34Å; E343-M345 PolarHBondContact O-N 3.05Å; M345-F384 HydrophobicContact CG-CE1 4.04Å; M345-F384 HydrophobicContact CG-CZ 3.53Å; M345-F384 HydrophobicContact SD-CE2 4.21Å; M345-F384 HydrophobicContact SD-CZ 3.67Å
346	T	88.7	Confident	92.8	Very high	40 Å²	40	27.8 Å²	27.8	25%	0.245	15%	0.147	C	C	.	.	H	α-helix	trans	-89.8	-45.4	-176.6	-55.3	0	0	0	0	111.3	H342 E343 I344	H342-T346 VanDerWaalsContact O-CB 3.31Å; H342-T346 WeakPolarHBondContact O-CB 3.29Å; H342-T346 PolarHBondContact O-N 3.39Å; H342-T346 PolarHBondContact O-OG1 2.84Å; E343-T346 PolarHBondContact O-N 3.43Å; I344-T346 VanDerWaalsContact C-N 3.28Å; I344-T346 PolarHBondContact O-N 3.07Å
347	N	85.9	Confident	92.7	Very high	64 Å²	64	27.8 Å²	27.8	34%	0.342	15%	0.147	S	C	.	.	H	α-helix	trans	-121.4	-7.4	-171.7	-65.2	-27.4	0	0	0	114.3	N191 E343 L349	N191-N347 PolarHBondContact ND2-ND2 2.59Å; E343-N347 PolarHBondContact O-N 3.33Å; E343-N347 PolarHBondContact OE1-ND2 3.48Å; N347-L349 HydrophobicContact CB-CB 4.46Å; N347-L349 HydrophobicContact CB-CD1 4.34Å; N347-L349 HydrophobicContact CB-CG 4.19Å; N347-L349 PolarHBondContact O-N 3.1Å
348	G	83.8	Confident	92.6	Very high	5 Å²	5	30.1 Å²	30.1	5%	0.052	16%	0.158	C	C	.	.	S	Bend	trans	67.8	17.5	-173.6	0	0	0	0	0	114.1	I344	I344-G348 WeakPolarHBondContact O-CA 3.49Å; I344-G348 PolarHBondContact O-N 3.39Å
349	L	85.6	Confident	92.5	Very high	101 Å²	101	34.1 Å²	34.1	53%	0.529	18%	0.175	S	C	.	.			trans	-106.5	136.9	179.8	-60.8	179.4	0	0	0	110.3	I344 N347	I344-L349 WeakPolarHBondContact CA-O 3.36Å; I344-L349 VanDerWaalsContact CG1-O 3.3Å; I344-L349 WeakPolarHBondContact CG1-O 3.37Å; I344-L349 PolarHBondContact N-O 3.06Å; N347-L349 HydrophobicContact CB-CB 4.46Å; N347-L349 HydrophobicContact CB-CD1 4.34Å; N347-L349 HydrophobicContact CB-CG 4.19Å; N347-L349 PolarHBondContact O-N 3.1Å
350	V	87.7	Confident	92.5	Very high	38 Å²	38	34.1 Å²	34.1	23%	0.23	18%	0.175	C	C	.	.			trans	-88	119.4	168.8	174.2	0	0	0	0	107.9	V105 F109 I344 L385	V105-V350 HydrophobicContact CG1-CB 4.01Å; V105-V350 HydrophobicContact CG1-CG2 3.28Å; F109-V350 HydrophobicContact CD2-CG1 4.19Å; F109-V350 HydrophobicContact CE2-CG1 3.85Å; I344-V350 HydrophobicContact CD1-CG2 3.86Å; I344-V350 HydrophobicContact CG1-CG2 3.86Å; V350-L385 HydrophobicContact CG2-CD1 3.99Å; V350-L385 HydrophobicContact CG2-CD2 4.38Å
351	P	91.6	Very high	92.5	Very high	20 Å²	20	34.4 Å²	34.4	13%	0.13	18%	0.176	C	C	.	.			trans	-69.7	160.9	179.4	28.4	-34.2	0	0	0	112.1	A340 E343 I353 M356	A340-P351 HydrophobicContact CB-CG 3.86Å; E343-P351 HydrophobicContact CB-CG 4.36Å; E343-P351 HydrophobicContact CG-CB 4.5Å; E343-P351 HydrophobicContact CG-CG 4.44Å; P351-I353 HydrophobicContact CG-CD1 4.45Å; P351-I353 WeakPolarHBondContact O-CD1 3.39Å; P351-I353 PolarHBondContact O-N 3.38Å; P351-M356 HydrophobicContact CB-SD 3.72Å; P351-M356 HydrophobicContact CG-CE 4.39Å; P351-M356 HydrophobicContact CG-SD 3.49Å; P351-M356 WeakPolarHBondContact CG-SD 3.29Å
352	Q	92.9	Very high	92.6	Very high	140 Å²	140	35.8 Å²	35.8	65%	0.654	19%	0.188	S	C	*	.			trans	-72.2	101.4	176.3	-63.6	-173.3	10.1	0	0	110.5	N354 L355 M356	Q352-N354 VanDerWaalsContact C-N 3.32Å; Q352-N354 PolarHBondContact O-N 2.89Å; Q352-L355 HydrophobicContact CB-CB 4.42Å; Q352-L355 HydrophobicContact CB-CD1 4.12Å; Q352-L355 PolarHBondContact O-N 3.29Å; Q352-M356 WeakPolarHBondContact O-CG 3.36Å; Q352-M356 PolarHBondContact O-N 2.88Å
353	I	94.6	Very high	92.7	Very high	9 Å²	9	36 Å²	36	5%	0.046	19%	0.192	C	C	.	.	H	α-helix	trans	-58.1	-42.1	-172.9	-55	-52	0	0	0	112.1	F109 L336 A340 P351 L355 M356 V357 L374 I381	F109-I353 HydrophobicContact CE2-CG1 4.38Å; F109-I353 HydrophobicContact CZ-CG1 4.22Å; L336-I353 HydrophobicContact CD1-CG2 4.04Å; L336-I353 HydrophobicContact CD2-CD1 4.26Å; L336-I353 HydrophobicContact CD2-CG2 4.12Å; A340-I353 HydrophobicContact CB-CD1 4.37Å; P351-I353 HydrophobicContact CG-CD1 4.45Å; P351-I353 WeakPolarHBondContact O-CD1 3.39Å; P351-I353 PolarHBondContact O-N 3.38Å; I353-L355 PolarHBondContact O-N 2.81Å; I353-M356 HydrophobicContact CD1-SD 4.03Å; I353-M356 WeakPolarHBondContact O-CA 3.32Å; I353-M356 WeakPolarHBondContact O-CB 3.49Å; I353-M356 PolarHBondContact O-N 2.88Å; I353-V357 WeakPolarHBondContact O-CG2 3.42Å; I353-V357 PolarHBondContact O-N 2.83Å; I353-L374 HydrophobicContact CG2-CD1 4.2Å; I353-I381 HydrophobicContact CD1-CD1 3.44Å; I353-I381 VanDerWaalsContact CD1-CD1 3.44Å; I353-I381 HydrophobicContact CG1-CD1 4.29Å
354	N	94	Very high	92.9	Very high	54 Å²	54	35.9 Å²	35.9	29%	0.289	19%	0.191	S	C	.	.	H	α-helix	trans	-59.1	-46.4	-179.3	-62.2	6.8	0	0	0	111.9	I134 Q352 M356 V357 E358	I134-N354 HydrophobicContact CD1-CB 3.98Å; I134-N354 VanDerWaalsContact CD1-CG 3.49Å; I134-N354 WeakPolarHBondContact CD1-OD1 3.46Å; I134-N354 HydrophobicContact CG1-CB 4.02Å; Q352-N354 VanDerWaalsContact C-N 3.32Å; Q352-N354 PolarHBondContact O-N 2.89Å; N354-M356 VanDerWaalsContact C-N 3.28Å; N354-M356 PolarHBondContact O-N 3.23Å; N354-V357 WeakPolarHBondContact O-CB 3.48Å; N354-V357 PolarHBondContact O-N 3.45Å; N354-V357 VanDerWaalsContact O-N 3.12Å; N354-E358 PolarHBondContact O-N 2.6Å
355	L	94.8	Very high	92.9	Very high	76 Å²	76	38.3 Å²	38.3	40%	0.398	20%	0.201	S	C	.	.	H	α-helix	trans	-64.1	-33.8	175.5	-85.1	77.9	0	0	0	112.2	Q352 I353 V357 E358 K359	Q352-L355 HydrophobicContact CB-CB 4.42Å; Q352-L355 HydrophobicContact CB-CD1 4.12Å; Q352-L355 PolarHBondContact O-N 3.29Å; I353-L355 PolarHBondContact O-N 2.81Å; L355-V357 VanDerWaalsContact C-N 3.3Å; L355-V357 PolarHBondContact O-N 2.83Å; L355-E358 PolarHBondContact O-N 2.92Å; L355-K359 WeakPolarHBondContact O-CB 3.46Å; L355-K359 VanDerWaalsContact O-CG 3.25Å; L355-K359 WeakPolarHBondContact O-CG 3.33Å; L355-K359 PolarHBondContact O-N 2.88Å
356	M	97.1	Very high	93	Very high	4 Å²	4	42.7 Å²	42.7	2%	0.02	22%	0.217	C	C	.	.	H	α-helix	trans	-63.9	-38.3	175.1	-62	175.8	69.3	0	0	111.3	I188 C189 L336 A340 P351 Q352 I353 N354 L360	I188-M356 HydrophobicContact CD1-CE 4.47Å; I188-M356 HydrophobicContact CG1-CE 4.49Å; C189-M356 HydrophobicContact CB-CE 4.26Å; L336-M356 HydrophobicContact CD1-CB 4.35Å; L336-M356 HydrophobicContact CG-CB 4.27Å; L336-M356 HydrophobicContact CG-CE 4.08Å; L336-M356 WeakPolarHBondContact O-CE 3.21Å; A340-M356 HydrophobicContact CB-CE 4.43Å; P351-M356 HydrophobicContact CB-SD 3.72Å; P351-M356 HydrophobicContact CG-CE 4.39Å; P351-M356 HydrophobicContact CG-SD 3.49Å; P351-M356 WeakPolarHBondContact CG-SD 3.29Å; Q352-M356 WeakPolarHBondContact O-CG 3.36Å; Q352-M356 PolarHBondContact O-N 2.88Å; I353-M356 HydrophobicContact CD1-SD 4.03Å; I353-M356 WeakPolarHBondContact O-CA 3.32Å; I353-M356 WeakPolarHBondContact O-CB 3.49Å; I353-M356 PolarHBondContact O-N 2.88Å; N354-M356 VanDerWaalsContact C-N 3.28Å; N354-M356 PolarHBondContact O-N 3.23Å; M356-L360 WeakPolarHBondContact O-CB 3.4Å; M356-L360 VanDerWaalsContact O-CG 3.31Å; M356-L360 WeakPolarHBondContact O-CG 3.45Å; M356-L360 PolarHBondContact O-N 3.25Å
357	V	97.2	Very high	93.2	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-63.4	-47.3	174.8	-178.2	0	0	0	0	111	W131 I134 L336 I353 N354 L355 K359 L360 W361 I368 L374	W131-V357 HydrophobicContact CZ3-CG1 4.39Å; I134-V357 HydrophobicContact CG2-CB 3.98Å; I134-V357 HydrophobicContact CG2-CG1 3.64Å; L336-V357 HydrophobicContact CD1-CG2 3.74Å; I353-V357 WeakPolarHBondContact O-CG2 3.42Å; I353-V357 PolarHBondContact O-N 2.83Å; N354-V357 WeakPolarHBondContact O-CB 3.48Å; N354-V357 PolarHBondContact O-N 3.45Å; N354-V357 VanDerWaalsContact O-N 3.12Å; L355-V357 VanDerWaalsContact C-N 3.3Å; L355-V357 PolarHBondContact O-N 2.83Å; V357-K359 PolarHBondContact O-N 2.99Å; V357-L360 WeakPolarHBondContact O-CB 3.33Å; V357-L360 PolarHBondContact O-N 3.21Å; V357-W361 PolarHBondContact O-N 2.8Å; V357-I368 HydrophobicContact CG1-CB 3.97Å; V357-I368 HydrophobicContact CG1-CG1 4.16Å; V357-I368 HydrophobicContact CG1-CG2 4.3Å; V357-I368 HydrophobicContact CG2-CG1 4.2Å; V357-L374 HydrophobicContact CG2-CD1 4Å
358	E	95.4	Very high	93.7	Very high	49 Å²	49	37.7 Å²	37.7	23%	0.229	19%	0.189	C	C	.	.	H	α-helix	trans	-59.7	-45.2	177.9	-69.5	174.4	-167.2	0	0	111.6	H137 N354 L355 L360 W361 A362	H137-E358 HydrophobicContact CB-CG 4.18Å; H137-E358 IonicContact CE1-OE1 2.59Å; H137-E358 IonicContact CG-OE1 2.93Å; H137-E358 IonicContact ND1-OE1 4Å; H137-E358 PolarHBondContact ND1-OE1 3.2Å; N354-E358 PolarHBondContact O-N 2.6Å; L355-E358 PolarHBondContact O-N 2.92Å; E358-L360 PolarHBondContact O-N 2.85Å; E358-W361 CarbonylContact O-C 3.54Å; E358-W361 PolarHBondContact O-N 3.3Å; E358-W361 VanDerWaalsContact O-N 3.16Å; E358-A362 PolarHBondContact O-N 3.18Å
359	K	96.2	Very high	94.2	Very high	86 Å²	86	39.2 Å²	39.2	37%	0.374	20%	0.201	S	C	.	.	H	α-helix	trans	-64.3	-36.9	176.6	-71.9	176.9	175.6	-172.4	0	113.3	N187 I188 L355 V357 A362 S363	N187-K359 VanDerWaalsContact O-CD 3.28Å; N187-K359 WeakPolarHBondContact O-CD 2.97Å; N187-K359 PolarHBondContact O-NZ 3.05Å; I188-K359 HydrophobicContact CG2-CB 4.4Å; I188-K359 WeakPolarHBondContact O-CD 3.49Å; L355-K359 WeakPolarHBondContact O-CB 3.46Å; L355-K359 VanDerWaalsContact O-CG 3.25Å; L355-K359 WeakPolarHBondContact O-CG 3.33Å; L355-K359 PolarHBondContact O-N 2.88Å; V357-K359 PolarHBondContact O-N 2.99Å; K359-A362 PolarHBondContact O-N 3.29Å; K359-S363 PolarHBondContact O-N 2.74Å; K359-S363 PolarHBondContact O-OG 2.99Å
360	L	97.3	Very high	94.6	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-61.9	-46.4	172	-79.9	165.5	0	0	0	110.4	V185 I188 C335 L336 M356 V357 E358 A362 S363 R364 C367 I368	V185-L360 HydrophobicContact CG1-CD2 3.73Å; I188-L360 HydrophobicContact CD1-CD2 4.29Å; I188-L360 HydrophobicContact CG2-CD2 4.25Å; I188-L360 HydrophobicContact CG2-CG 4.32Å; C335-L360 HydrophobicContact CB-CD2 3.97Å; L336-L360 HydrophobicContact CB-CD1 3.96Å; L336-L360 HydrophobicContact CD1-CD1 4.29Å; M356-L360 WeakPolarHBondContact O-CB 3.4Å; M356-L360 VanDerWaalsContact O-CG 3.31Å; M356-L360 WeakPolarHBondContact O-CG 3.45Å; M356-L360 PolarHBondContact O-N 3.25Å; V357-L360 WeakPolarHBondContact O-CB 3.33Å; V357-L360 PolarHBondContact O-N 3.21Å; E358-L360 PolarHBondContact O-N 2.85Å; L360-A362 VanDerWaalsContact C-N 3.34Å; L360-A362 PolarHBondContact O-N 3.27Å; L360-S363 PolarHBondContact O-N 2.79Å; L360-S363 VanDerWaalsContact O-N 3.12Å; L360-R364 PolarHBondContact O-N 3.44Å; L360-C367 HydrophobicContact CB-CB 3.98Å; L360-C367 HydrophobicContact CD2-CB 4.26Å; L360-I368 HydrophobicContact CD1-CG1 4.22Å
361	W	96.3	Very high	95	Very high	7 Å²	7	35.9 Å²	35.9	3%	0.027	18%	0.184	C	C	.	.	H	α-helix	trans	-68.3	-27.1	177.8	-94	70.5	0	0	0	114.3	L135 C138 E139 M142 Y165 V357 E358 S363 R366 I368	L135-W361 HydrophobicContact CD1-CH2 3.7Å; L135-W361 HydrophobicContact CD1-CZ2 4.03Å; C138-W361 HydrophobicContact CB-CB 4.14Å; C138-W361 HydrophobicContact CB-CD2 3.49Å; C138-W361 VanDerWaalsContact CB-CD2 3.49Å; C138-W361 HydrophobicContact CB-CE3 3.45Å; C138-W361 VanDerWaalsContact CB-CE3 3.45Å; C138-W361 HydrophobicContact CB-CG 3.84Å; C138-W361 HydrophobicContact CB-CH2 4.27Å; C138-W361 HydrophobicContact CB-CZ2 4.37Å; C138-W361 HydrophobicContact CB-CZ3 3.84Å; C138-W361 VanDerWaalsContact SG-CG 3.51Å; E139-W361 HydrophobicContact CG-CZ3 4.37Å; M142-W361 HydrophobicContact CB-CE3 4.28Å; M142-W361 HydrophobicContact CB-CZ3 4.34Å; M142-W361 HydrophobicContact SD-CZ3 4.13Å; Y165-W361 WeakPolarHBondContact CE2-O 3.37Å; Y165-W361 PolarHBondContact OH-O 3.23Å; V357-W361 PolarHBondContact O-N 2.8Å; E358-W361 CarbonylContact O-C 3.54Å; E358-W361 PolarHBondContact O-N 3.3Å; E358-W361 VanDerWaalsContact O-N 3.16Å; W361-S363 PolarHBondContact O-N 3.37Å; W361-R366 HydrophobicContact CH2-CG 4.33Å; W361-R366 HydrophobicContact CZ2-CG 4.03Å; W361-I368 PolarHBondContact NE1-O 3.35Å
362	A	96.3	Very high	95.1	Very high	31 Å²	31	39.8 Å²	39.8	26%	0.256	20%	0.2	S	C	.	.	H	α-helix	trans	-68.8	-22.5	171.6	0	0	0	0	0	112.5	H145 E358 K359 L360	H145-A362 PolarHBondContact CE1-O 3.06Å; H145-A362 VanDerWaalsContact CE1-O 3.24Å; H145-A362 PolarHBondContact NE2-O 2.88Å; E358-A362 PolarHBondContact O-N 3.18Å; K359-A362 PolarHBondContact O-N 3.29Å; L360-A362 VanDerWaalsContact C-N 3.34Å; L360-A362 PolarHBondContact O-N 3.27Å
363	S	96.7	Very high	95.3	Very high	20 Å²	20	33.7 Å²	33.7	14%	0.14	17%	0.172	C	C	.	.	H	α-helix	trans	-100.6	-38	179.6	-58.6	0	0	0	0	112.5	Y165 S168 F184 K359 L360 W361	Y165-S363 WeakPolarHBondContact CD2-O 3.25Å; S168-S363 VanDerWaalsContact CB-O 3.29Å; S168-S363 WeakPolarHBondContact CB-O 3.34Å; S168-S363 PolarHBondContact OG-O 3Å; F184-S363 WeakPolarHBondContact O-CB 3.42Å; K359-S363 PolarHBondContact O-N 2.74Å; K359-S363 PolarHBondContact O-OG 2.99Å; L360-S363 PolarHBondContact O-N 2.79Å; L360-S363 VanDerWaalsContact O-N 3.12Å; W361-S363 PolarHBondContact O-N 3.37Å
364	R	96.7	Very high	95.4	Very high	4 Å²	4	33.2 Å²	33.2	2%	0.015	17%	0.17	C	C	.	.	S	Bend	trans	-153.7	127.1	-177	-172.1	173.1	179.1	86.5	0.3	111.5	N181 S183 Y326 G327 L360 R366	N181-R364 PolarHBondContact OD1-NH1 2.92Å; N181-R364 PolarHBondContact OD1-NH2 3.37Å; S183-R364 PolarHBondContact OG-NH1 3.36Å; S183-R364 VanDerWaalsContact OG-NH1 3.15Å; Y326-R364 PolarHBondContact O-NH2 2.63Å; G327-R364 WeakPolarHBondContact O-CD 3.13Å; G327-R364 PolarHBondContact O-NE 3.41Å; L360-R364 PolarHBondContact O-N 3.44Å; R364-R366 PolarHBondContact O-N 3.08Å
365	K	91.5	Very high	95.5	Very high	51 Å²	51	32.6 Å²	32.6	22%	0.222	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	135.5	-179.6	-174.6	173.6	177.6	-179.7	0	112.1	M142 Y165 C367	M142-K365 HydrophobicContact SD-CD 3.66Å; M142-K365 WeakPolarHBondContact SD-CE 3.32Å; M142-K365 HydrophobicContact SD-CG 3.99Å; Y165-K365 HydrophobicContact CE1-CB 4.06Å; Y165-K365 WeakPolarHBondContact OH-CA 3.35Å; Y165-K365 WeakPolarHBondContact OH-CB 3.47Å; Y165-K365 PolarHBondContact OH-N 3.39Å; K365-C367 VanDerWaalsContact C-N 3.29Å; K365-C367 PolarHBondContact O-N 3.47Å
366	R	92.9	Very high	95.5	Very high	97 Å²	97	30 Å²	30	37%	0.366	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	32.4	170.9	-70.5	179.1	172.4	-165.9	-4.1	114.8	L162 S328 S329 W361 R364 I368	L162-R366 HydrophobicContact CD2-CB 4.08Å; S328-R366 CarbonylContact C-O 3.59Å; S328-R366 VanDerWaalsContact CB-O 3.32Å; S328-R366 WeakPolarHBondContact CB-O 3.13Å; S329-R366 PolarHBondContact N-O 3.16Å; W361-R366 HydrophobicContact CH2-CG 4.33Å; W361-R366 HydrophobicContact CZ2-CG 4.03Å; R364-R366 PolarHBondContact O-N 3.08Å; R366-I368 PolarHBondContact O-N 2.89Å
367	C	92.8	Very high	95.6	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.151	C	C	.	.	S	Bend	trans	-61.3	-33.4	170.2	-92.1	0	0	0	0	112.3	S328 S329 G332 L360 K365	S328-C367 CarbonylContact C-O 3.57Å; S329-C367 CarbonylContact C-O 3.48Å; S329-C367 WeakPolarHBondContact CA-O 3.45Å; S329-C367 PolarHBondContact N-O 3.38Å; G332-C367 WeakPolarHBondContact CA-O 3.39Å; G332-C367 PolarHBondContact N-O 3.03Å; L360-C367 HydrophobicContact CB-CB 3.98Å; L360-C367 HydrophobicContact CD2-CB 4.26Å; K365-C367 VanDerWaalsContact C-N 3.29Å; K365-C367 PolarHBondContact O-N 3.47Å
368	I	96.3	Very high	95.5	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.152	C	C	.	.	S	Bend	trans	-115.2	114.4	161.9	-58.3	-60.1	0	0	0	104.6	W131 V333 L336 V357 L360 W361 R366 D373 L374	W131-I368 HydrophobicContact CH2-CG2 4.13Å; W131-I368 WeakPolarHBondContact CH2-O 3.41Å; W131-I368 HydrophobicContact CZ3-CG2 3.75Å; V333-I368 HydrophobicContact CG2-CD1 4Å; L336-I368 HydrophobicContact CD1-CD1 4.22Å; L336-I368 HydrophobicContact CD1-CG1 4.28Å; V357-I368 HydrophobicContact CG1-CB 3.97Å; V357-I368 HydrophobicContact CG1-CG1 4.16Å; V357-I368 HydrophobicContact CG1-CG2 4.3Å; V357-I368 HydrophobicContact CG2-CG1 4.2Å; L360-I368 HydrophobicContact CD1-CG1 4.22Å; W361-I368 PolarHBondContact NE1-O 3.35Å; R366-I368 PolarHBondContact O-N 2.89Å; I368-D373 HydrophobicContact CG2-CB 3.73Å; I368-L374 HydrophobicContact CG2-CB 4.4Å
369	A	94.1	Very high	95.5	Very high	36 Å²	36	30.6 Å²	30.6	30%	0.298	16%	0.156	S	C	.	.			trans	-89.1	-34.1	-164.8	0	0	0	0	0	113.3	W131 D373	W131-A369 WeakPolarHBondContact CZ2-O 3.27Å; A369-D373 WeakPolarHBondContact CB-OD2 3.24Å; A369-D373 PolarHBondContact N-OD2 2.92Å
370	D	94.9	Very high	95.5	Very high	62 Å²	62	26.5 Å²	26.5	33%	0.332	14%	0.138	S	C	.	.	S	Bend	trans	-152.1	-179.2	-173.7	56.4	33.7	0	0	0	112.4	W131 Q372 D373 L374	W131-D370 VanDerWaalsContact CZ2-CA 3.44Å; D370-Q372 PolarHBondContact O-N 2.83Å; D370-Q372 WeakPolarHBondContact OD1-CA 3.41Å; D370-Q372 WeakPolarHBondContact OD1-CB 3.28Å; D370-Q372 PolarHBondContact OD1-N 2.89Å; D370-Q372 PolarHBondContact OD1-OE1 3.35Å; D370-D373 PolarHBondContact O-N 3.19Å; D370-D373 PolarHBondContact OD1-N 3.19Å; D370-L374 PolarHBondContact O-N 3.46Å
371	A	95.1	Very high	95.4	Very high	8 Å²	8	26.5 Å²	26.5	7%	0.066	14%	0.138	C	C	.	.	H	α-helix	trans	-60.8	-31	177.2	0	0	0	0	0	112.6	L127 W131 L374 Q375	L127-A371 HydrophobicContact CD2-CB 4.13Å; L127-A371 HydrophobicContact CG-CB 4.03Å; W131-A371 HydrophobicContact CB-CB 3.87Å; W131-A371 HydrophobicContact CD2-CB 4.5Å; W131-A371 HydrophobicContact CG-CB 3.8Å; A371-L374 WeakPolarHBondContact O-CB 3.37Å; A371-L374 PolarHBondContact O-N 2.77Å; A371-Q375 WeakPolarHBondContact O-CB 3.31Å; A371-Q375 PolarHBondContact O-N 2.78Å
372	Q	94.7	Very high	95.4	Very high	101 Å²	101	26.7 Å²	26.7	47%	0.472	14%	0.14	S	C	.	.	H	α-helix	trans	-71	-40.9	179.7	-66.3	77.9	10.4	0	0	111.3	D370 L374 Q375 L376	D370-Q372 PolarHBondContact O-N 2.83Å; D370-Q372 WeakPolarHBondContact OD1-CA 3.41Å; D370-Q372 WeakPolarHBondContact OD1-CB 3.28Å; D370-Q372 PolarHBondContact OD1-N 2.89Å; D370-Q372 PolarHBondContact OD1-OE1 3.35Å; Q372-L374 VanDerWaalsContact C-N 3.29Å; Q372-L374 PolarHBondContact O-N 2.82Å; Q372-Q375 PolarHBondContact O-N 2.95Å; Q372-L376 VanDerWaalsContact O-CB 3.31Å; Q372-L376 WeakPolarHBondContact O-CB 3.23Å; Q372-L376 PolarHBondContact O-N 3.32Å
373	D	96.6	Very high	95.3	Very high	12 Å²	12	28.7 Å²	28.7	6%	0.064	14%	0.143	C	C	.	.	H	α-helix	trans	-59.4	-41.8	171.4	-79.6	-19.1	0	0	0	111.1	S329 V333 I368 A369 D370 L376 C377	S329-D373 VanDerWaalsContact CA-OD2 3.3Å; S329-D373 WeakPolarHBondContact CA-OD2 3.27Å; S329-D373 WeakPolarHBondContact CB-OD2 3.5Å; S329-D373 VanDerWaalsContact OG-CG 3.23Å; S329-D373 PolarHBondContact OG-OD1 3.2Å; S329-D373 PolarHBondContact OG-OD2 3.45Å; V333-D373 HydrophobicContact CG2-CB 3.94Å; I368-D373 HydrophobicContact CG2-CB 3.73Å; A369-D373 WeakPolarHBondContact CB-OD2 3.24Å; A369-D373 PolarHBondContact N-OD2 2.92Å; D370-D373 PolarHBondContact O-N 3.19Å; D370-D373 PolarHBondContact OD1-N 3.19Å; D373-L376 PolarHBondContact O-N 3.1Å; D373-C377 PolarHBondContact O-N 3.25Å; D373-C377 PolarHBondContact O-SG 3.22Å
374	L	96.3	Very high	95.2	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-63.7	-47.4	176.8	-178.1	65.1	0	0	0	111.7	L127 T130 W131 I134 I353 V357 I368 D370 A371 Q372 L376 C377 H378	L127-L374 HydrophobicContact CD1-CD2 4.22Å; L127-L374 HydrophobicContact CD1-CG 4.44Å; T130-L374 HydrophobicContact CG2-CD2 4.22Å; W131-L374 HydrophobicContact CB-CD2 4.42Å; W131-L374 HydrophobicContact CE3-CB 4.27Å; W131-L374 HydrophobicContact CE3-CD2 4.14Å; I134-L374 HydrophobicContact CD1-CD1 4.31Å; I134-L374 HydrophobicContact CD1-CD2 3.72Å; I353-L374 HydrophobicContact CG2-CD1 4.2Å; V357-L374 HydrophobicContact CG2-CD1 4Å; I368-L374 HydrophobicContact CG2-CB 4.4Å; D370-L374 PolarHBondContact O-N 3.46Å; A371-L374 WeakPolarHBondContact O-CB 3.37Å; A371-L374 PolarHBondContact O-N 2.77Å; Q372-L374 VanDerWaalsContact C-N 3.29Å; Q372-L374 PolarHBondContact O-N 2.82Å; L374-L376 VanDerWaalsContact C-N 3.3Å; L374-L376 PolarHBondContact O-N 3.33Å; L374-C377 WeakPolarHBondContact O-CB 3.4Å; L374-C377 PolarHBondContact O-N 2.93Å; L374-H378 PolarHBondContact O-N 2.88Å; L374-H378 PolarHBondContact O-ND1 3.1Å
375	Q	95.6	Very high	95.1	Very high	40 Å²	40	28 Å²	28	19%	0.187	14%	0.138	C	C	.	.	H	α-helix	trans	-59.3	-43.3	176.2	178.9	173.4	37.3	0	0	111	F116 D117 L127 A371 Q372 C377 H378 L379	F116-Q375 HydrophobicContact CD2-CB 4.32Å; F116-Q375 HydrophobicContact CD2-CG 4.12Å; D117-Q375 PolarHBondContact OD1-NE2 3.08Å; L127-Q375 HydrophobicContact CD1-CB 3.99Å; L127-Q375 HydrophobicContact CD2-CB 3.78Å; L127-Q375 HydrophobicContact CD2-CG 4.31Å; A371-Q375 WeakPolarHBondContact O-CB 3.31Å; A371-Q375 PolarHBondContact O-N 2.78Å; Q372-Q375 PolarHBondContact O-N 2.95Å; Q375-C377 VanDerWaalsContact C-N 3.35Å; Q375-C377 PolarHBondContact O-N 3.41Å; Q375-H378 PolarHBondContact O-N 2.88Å; Q375-L379 HydrophobicContact CG-CD1 3.9Å; Q375-L379 HydrophobicContact CG-CG 4.41Å; Q375-L379 WeakPolarHBondContact O-CG 3.5Å; Q375-L379 PolarHBondContact O-N 3.01Å
376	L	96.5	Very high	95.2	Very high	23 Å²	23	28.3 Å²	28.3	12%	0.12	14%	0.142	C	C	.	.	H	α-helix	trans	-62.5	-40.6	178.4	-178.6	58	0	0	0	112.2	W287 L293 L296 V333 Q372 D373 L374 H378 L379 L380	W287-L376 HydrophobicContact CH2-CD2 3.29Å; W287-L376 HydrophobicContact CZ2-CD2 3.46Å; W287-L376 VanDerWaalsContact CZ2-CD2 3.46Å; W287-L376 HydrophobicContact CZ3-CD2 4.24Å; L293-L376 HydrophobicContact CB-CD1 4.4Å; L293-L376 HydrophobicContact CB-CD2 4.2Å; L293-L376 HydrophobicContact CD2-CD1 4.06Å; L293-L376 HydrophobicContact CD2-CD2 4.49Å; L296-L376 HydrophobicContact CD2-CD1 3.85Å; V333-L376 HydrophobicContact CG1-CD2 4.19Å; V333-L376 HydrophobicContact CG1-CG 4.28Å; Q372-L376 VanDerWaalsContact O-CB 3.31Å; Q372-L376 WeakPolarHBondContact O-CB 3.23Å; Q372-L376 PolarHBondContact O-N 3.32Å; D373-L376 PolarHBondContact O-N 3.1Å; L374-L376 VanDerWaalsContact C-N 3.3Å; L374-L376 PolarHBondContact O-N 3.33Å; L376-H378 VanDerWaalsContact C-N 3.31Å; L376-H378 PolarHBondContact O-N 3.25Å; L376-L379 PolarHBondContact O-N 3.11Å; L376-L380 HydrophobicContact CD1-CD1 4.32Å; L376-L380 HydrophobicContact CD1-CG 4.18Å; L376-L380 HydrophobicContact CG-CD1 4.11Å; L376-L380 HydrophobicContact CG-CG 4.45Å; L376-L380 WeakPolarHBondContact O-CB 3.44Å; L376-L380 VanDerWaalsContact O-CG 3.3Å; L376-L380 WeakPolarHBondContact O-CG 3.21Å; L376-L380 PolarHBondContact O-N 3.14Å
377	C	97.2	Very high	95.2	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-57.4	-45.2	173.7	-70.1	0	0	0	0	111.6	L336 D373 L374 Q375 L380 I381	L336-C377 HydrophobicContact CD1-CB 4.34Å; L336-C377 HydrophobicContact CD2-CB 3.69Å; D373-C377 PolarHBondContact O-N 3.25Å; D373-C377 PolarHBondContact O-SG 3.22Å; L374-C377 WeakPolarHBondContact O-CB 3.4Å; L374-C377 PolarHBondContact O-N 2.93Å; Q375-C377 VanDerWaalsContact C-N 3.35Å; Q375-C377 PolarHBondContact O-N 3.41Å; C377-L380 PolarHBondContact O-N 3.05Å; C377-I381 WeakPolarHBondContact O-CD1 3.36Å; C377-I381 VanDerWaalsContact O-CG1 3.3Å; C377-I381 WeakPolarHBondContact O-CG1 3.33Å; C377-I381 PolarHBondContact O-N 2.94Å; C377-I381 VanDerWaalsContact O-N 3.12Å
378	H	95.5	Very high	95.1	Very high	6 Å²	6	27 Å²	27	3%	0.028	14%	0.138	C	C	.	.	H	α-helix	trans	-67.5	-41.9	177	-68.8	82.3	0	0	0	111.9	F109 V113 F116 L374 Q375 L376 L380 I381 S382	F109-H378 HydrophobicContact CE1-CB 3.96Å; F109-H378 AromaticContact CE1-CD2 3.96Å; F109-H378 VanDerWaalsContact CE1-O 3.23Å; F109-H378 WeakPolarHBondContact CE1-O 3.48Å; F109-H378 HydrophobicContact CZ-CB 4.24Å; F109-H378 AromaticContact CZ-CD2 3.42Å; F109-H378 VanDerWaalsContact CZ-CD2 3.42Å; F109-H378 WeakPolarHBondContact CZ-CD2 3.39Å; V113-H378 HydrophobicContact CG2-CB 3.73Å; F116-H378 HydrophobicContact CE2-CB 3.76Å; F116-H378 AromaticContact CE2-CG 3.57Å; F116-H378 AromaticContact CE2-ND1 3.67Å; F116-H378 HydrophobicContact CZ-CB 4.36Å; F116-H378 AromaticContact CZ-CD2 3.76Å; F116-H378 AromaticContact CZ-CE1 3.86Å; F116-H378 AromaticContact CZ-CG 3.76Å; F116-H378 AromaticContact CZ-ND1 3.82Å; F116-H378 AromaticContact CZ-NE2 3.85Å; L374-H378 PolarHBondContact O-N 2.88Å; L374-H378 PolarHBondContact O-ND1 3.1Å; Q375-H378 PolarHBondContact O-N 2.88Å; L376-H378 VanDerWaalsContact C-N 3.31Å; L376-H378 PolarHBondContact O-N 3.25Å; H378-L380 VanDerWaalsContact C-N 3.33Å; H378-L380 PolarHBondContact O-N 3.41Å; H378-I381 PolarHBondContact O-N 2.78Å; H378-S382 WeakPolarHBondContact O-CB 3.4Å; H378-S382 PolarHBondContact O-N 3.3Å
379	L	95.6	Very high	94.7	Very high	59 Å²	59	28.4 Å²	28.4	31%	0.309	15%	0.145	S	C	.	.	H	α-helix	trans	-58.9	-44.2	176	-78.1	165.4	0	0	0	112	V113 L296 Q375 L376 S382 F383	V113-L379 HydrophobicContact CG1-CD2 3.38Å; V113-L379 HydrophobicContact CG1-CG 4Å; L296-L379 HydrophobicContact CD2-CB 4.48Å; Q375-L379 HydrophobicContact CG-CD1 3.9Å; Q375-L379 HydrophobicContact CG-CG 4.41Å; Q375-L379 WeakPolarHBondContact O-CG 3.5Å; Q375-L379 PolarHBondContact O-N 3.01Å; L376-L379 PolarHBondContact O-N 3.11Å; L379-S382 PolarHBondContact O-N 3.4Å; L379-F383 VanDerWaalsContact O-CB 3.25Å; L379-F383 WeakPolarHBondContact O-CB 3.22Å; L379-F383 PolarHBondContact O-N 2.74Å
380	L	97.2	Very high	94.5	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-62.5	-46.3	177.9	-73.8	169.2	0	0	0	111.9	L293 L296 F299 I300 V333 A337 L376 C377 H378 F383 F384	L293-L380 HydrophobicContact CD2-CD2 4.11Å; L296-L380 HydrophobicContact CD2-CD2 3.63Å; L296-L380 HydrophobicContact CD2-CG 4.1Å; F299-L380 HydrophobicContact CB-CD2 4.35Å; F299-L380 HydrophobicContact CD1-CD1 3.65Å; F299-L380 HydrophobicContact CD1-CD2 3.75Å; F299-L380 HydrophobicContact CD1-CG 4.38Å; F299-L380 HydrophobicContact CE1-CD1 3.76Å; I300-L380 HydrophobicContact CD1-CB 4.14Å; I300-L380 HydrophobicContact CD1-CD2 3.9Å; I300-L380 WeakPolarHBondContact CD1-O 3.4Å; I300-L380 HydrophobicContact CG1-CD2 4.12Å; V333-L380 HydrophobicContact CG1-CD1 3.81Å; A337-L380 HydrophobicContact CB-CB 4.45Å; A337-L380 HydrophobicContact CB-CD1 4.1Å; L376-L380 HydrophobicContact CD1-CD1 4.32Å; L376-L380 HydrophobicContact CD1-CG 4.18Å; L376-L380 HydrophobicContact CG-CD1 4.11Å; L376-L380 HydrophobicContact CG-CG 4.45Å; L376-L380 WeakPolarHBondContact O-CB 3.44Å; L376-L380 VanDerWaalsContact O-CG 3.3Å; L376-L380 WeakPolarHBondContact O-CG 3.21Å; L376-L380 PolarHBondContact O-N 3.14Å; C377-L380 PolarHBondContact O-N 3.05Å; H378-L380 VanDerWaalsContact C-N 3.33Å; H378-L380 PolarHBondContact O-N 3.41Å; L380-F383 PolarHBondContact O-N 2.88Å; L380-F384 WeakPolarHBondContact O-CB 3.47Å; L380-F384 PolarHBondContact O-N 2.84Å
381	I	95.6	Very high	94	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-66.3	-43	179.6	-66.1	164.1	0	0	0	110.9	F109 L336 A340 I344 I353 C377 H378 F384 L385	F109-I381 HydrophobicContact CD1-CB 4.41Å; F109-I381 HydrophobicContact CD1-CG2 4.08Å; F109-I381 HydrophobicContact CE1-CB 3.61Å; F109-I381 HydrophobicContact CE1-CG2 3.57Å; F109-I381 HydrophobicContact CE2-CG2 4.43Å; F109-I381 HydrophobicContact CZ-CB 4Å; F109-I381 HydrophobicContact CZ-CD1 4.27Å; F109-I381 HydrophobicContact CZ-CG2 3.76Å; L336-I381 HydrophobicContact CD2-CD1 4.06Å; A340-I381 HydrophobicContact CB-CD1 3.47Å; A340-I381 VanDerWaalsContact CB-CD1 3.47Å; A340-I381 HydrophobicContact CB-CG1 3.84Å; I344-I381 HydrophobicContact CD1-CG2 3.89Å; I353-I381 HydrophobicContact CD1-CD1 3.44Å; I353-I381 VanDerWaalsContact CD1-CD1 3.44Å; I353-I381 HydrophobicContact CG1-CD1 4.29Å; C377-I381 WeakPolarHBondContact O-CD1 3.36Å; C377-I381 VanDerWaalsContact O-CG1 3.3Å; C377-I381 WeakPolarHBondContact O-CG1 3.33Å; C377-I381 PolarHBondContact O-N 2.94Å; C377-I381 VanDerWaalsContact O-N 3.12Å; H378-I381 PolarHBondContact O-N 2.78Å; I381-F384 PolarHBondContact O-N 3.13Å; I381-L385 HydrophobicContact CG2-CD1 3.98Å; I381-L385 HydrophobicContact CG2-CG 4.43Å; I381-L385 WeakPolarHBondContact O-CB 3.36Å; I381-L385 WeakPolarHBondContact O-CG 3.5Å; I381-L385 PolarHBondContact O-N 2.98Å
382	S	94.4	Very high	93.4	Very high	10 Å²	10	32.8 Å²	32.8	7%	0.07	15%	0.153	C	C	.	.	H	α-helix	trans	-57.9	-50	174.9	-170.5	0	0	0	0	111.3	H378 L379 F384 L385 N386	H378-S382 WeakPolarHBondContact O-CB 3.4Å; H378-S382 PolarHBondContact O-N 3.3Å; L379-S382 PolarHBondContact O-N 3.4Å; S382-F384 VanDerWaalsContact C-N 3.31Å; S382-F384 PolarHBondContact O-N 3.33Å; S382-L385 PolarHBondContact O-N 2.94Å; S382-N386 PolarHBondContact O-N 3.37Å
383	F	95.1	Very high	92.8	Very high	74 Å²	74	30.5 Å²	30.5	33%	0.325	15%	0.149	S	C	.	.	H	α-helix	trans	-60.2	-41.8	178.5	-173.2	-83.1	0	0	0	111.7	L296 I300 L379 L380 R387	L296-F383 HydrophobicContact CB-CD2 4.28Å; L296-F383 HydrophobicContact CB-CG 4.34Å; L296-F383 HydrophobicContact CD1-CD2 4.32Å; I300-F383 HydrophobicContact CG1-CD1 3.87Å; I300-F383 HydrophobicContact CG1-CE1 4.45Å; L379-F383 VanDerWaalsContact O-CB 3.25Å; L379-F383 WeakPolarHBondContact O-CB 3.22Å; L379-F383 PolarHBondContact O-N 2.74Å; L380-F383 PolarHBondContact O-N 2.88Å; F383-R387 WeakPolarHBondContact O-CB 3.34Å; F383-R387 PolarHBondContact O-N 3.21Å
384	F	95.5	Very high	91.9	Very high	8 Å²	8	34.7 Å²	34.7	4%	0.035	17%	0.168	C	C	.	.	H	α-helix	trans	-62.7	-47.3	175.8	176	-102.2	0	0	0	112.3	I300 I304 I341 I344 M345 L380 I381 S382 N386 R387 L388	I300-F384 HydrophobicContact CD1-CB 4.05Å; I300-F384 HydrophobicContact CG2-CD2 3.96Å; I304-F384 HydrophobicContact CD1-CD2 4.42Å; I304-F384 HydrophobicContact CD1-CE2 4.12Å; I304-F384 HydrophobicContact CG1-CE2 4.23Å; I341-F384 HydrophobicContact CB-CD1 4.39Å; I341-F384 HydrophobicContact CB-CE1 4.41Å; I341-F384 HydrophobicContact CD1-CB 4.16Å; I341-F384 HydrophobicContact CD1-CD2 4.15Å; I341-F384 HydrophobicContact CD1-CG 4.02Å; I341-F384 HydrophobicContact CG1-CB 4.12Å; I341-F384 HydrophobicContact CG1-CD1 3.82Å; I341-F384 HydrophobicContact CG1-CD2 4.18Å; I341-F384 HydrophobicContact CG1-CE1 4.33Å; I341-F384 HydrophobicContact CG1-CG 3.75Å; I341-F384 HydrophobicContact CG2-CD1 4.22Å; I341-F384 HydrophobicContact CG2-CD2 4.08Å; I341-F384 HydrophobicContact CG2-CE1 3.9Å; I341-F384 HydrophobicContact CG2-CE2 3.76Å; I341-F384 HydrophobicContact CG2-CG 4.31Å; I341-F384 HydrophobicContact CG2-CZ 3.68Å; I344-F384 HydrophobicContact CB-CE1 4.36Å; I344-F384 HydrophobicContact CD1-CD1 4.46Å; I344-F384 HydrophobicContact CG2-CE1 3.95Å; M345-F384 HydrophobicContact CG-CE1 4.04Å; M345-F384 HydrophobicContact CG-CZ 3.53Å; M345-F384 HydrophobicContact SD-CE2 4.21Å; M345-F384 HydrophobicContact SD-CZ 3.67Å; L380-F384 WeakPolarHBondContact O-CB 3.47Å; L380-F384 PolarHBondContact O-N 2.84Å; I381-F384 PolarHBondContact O-N 3.13Å; S382-F384 VanDerWaalsContact C-N 3.31Å; S382-F384 PolarHBondContact O-N 3.33Å; F384-N386 VanDerWaalsContact C-N 3.34Å; F384-N386 PolarHBondContact O-N 3.32Å; F384-R387 WeakPolarHBondContact O-CB 3.47Å; F384-R387 PolarHBondContact O-N 3.45Å; F384-L388 HydrophobicContact CE1-CD2 4Å; F384-L388 HydrophobicContact CZ-CD2 4.26Å; F384-L388 WeakPolarHBondContact O-CB 3.41Å; F384-L388 PolarHBondContact O-N 3.35Å
385	L	93.8	Very high	90.6	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-58.6	-45.6	178.5	-75.3	168.7	0	0	0	111.6	L102 A106 F109 I344 V350 I381 S382 R387 L388 I389	L102-L385 HydrophobicContact CD1-CD2 3.5Å; L102-L385 HydrophobicContact CG-CD2 4.48Å; A106-L385 HydrophobicContact CB-CB 3.89Å; A106-L385 HydrophobicContact CB-CD1 4.47Å; F109-L385 HydrophobicContact CB-CD1 4.22Å; F109-L385 HydrophobicContact CG-CD1 4.34Å; I344-L385 HydrophobicContact CD1-CD2 4.05Å; I344-L385 HydrophobicContact CD1-CG 4.29Å; I344-L385 HydrophobicContact CG2-CD2 3.8Å; V350-L385 HydrophobicContact CG2-CD1 3.99Å; V350-L385 HydrophobicContact CG2-CD2 4.38Å; I381-L385 HydrophobicContact CG2-CD1 3.98Å; I381-L385 HydrophobicContact CG2-CG 4.43Å; I381-L385 WeakPolarHBondContact O-CB 3.36Å; I381-L385 WeakPolarHBondContact O-CG 3.5Å; I381-L385 PolarHBondContact O-N 2.98Å; S382-L385 PolarHBondContact O-N 2.94Å; L385-R387 PolarHBondContact O-N 3.16Å; L385-L388 WeakPolarHBondContact O-CB 3.13Å; L385-L388 PolarHBondContact O-N 2.93Å; L385-I389 WeakPolarHBondContact O-CG1 3.49Å; L385-I389 PolarHBondContact O-N 3.23Å
386	N	92.7	Very high	89	Confident	59 Å²	59	40.5 Å²	40.5	32%	0.316	21%	0.206	S	C	.	.	H	α-helix	trans	-63.1	-42.4	176.7	-77.1	-17.1	0	0	0	112	S382 F384 L388 I389 K390	S382-N386 PolarHBondContact O-N 3.37Å; F384-N386 VanDerWaalsContact C-N 3.34Å; F384-N386 PolarHBondContact O-N 3.32Å; N386-L388 VanDerWaalsContact C-N 3.33Å; N386-L388 PolarHBondContact O-N 3.32Å; N386-I389 PolarHBondContact O-N 2.7Å; N386-K390 WeakPolarHBondContact O-CB 3.17Å; N386-K390 PolarHBondContact O-N 2.68Å
387	R	93.2	Very high	87.1	Confident	63 Å²	63	43.9 Å²	43.9	24%	0.238	23%	0.23	C	C	.	.	H	α-helix	trans	-61.7	-40.9	174.4	-175.4	178	-179.6	-176.3	-0.9	111.9	D301 F383 F384 L385 K391	D301-R387 IonicContact OD1-CZ 2.67Å; D301-R387 IonicContact OD1-NH1 3.55Å; D301-R387 PolarHBondContact OD1-NH1 3.21Å; D301-R387 IonicContact OD1-NH2 3.15Å; D301-R387 PolarHBondContact OD1-NH2 2.97Å; F383-R387 WeakPolarHBondContact O-CB 3.34Å; F383-R387 PolarHBondContact O-N 3.21Å; F384-R387 WeakPolarHBondContact O-CB 3.47Å; F384-R387 PolarHBondContact O-N 3.45Å; L385-R387 PolarHBondContact O-N 3.16Å; R387-K391 PolarHBondContact O-N 2.59Å
388	L	90.7	Very high	84.9	Confident	6 Å²	6	50.3 Å²	50.3	3%	0.031	26%	0.26	C	S	.	.	H	α-helix	trans	-64.9	-46.7	178.4	-179	60.4	0	0	0	111.1	Y91 M95 L102 I344 F384 L385 N386 K390 K391 M392	Y91-L388 HydrophobicContact CD1-CD1 4.35Å; Y91-L388 HydrophobicContact CE1-CD1 3.54Å; M95-L388 HydrophobicContact CE-CD2 3.89Å; M95-L388 HydrophobicContact SD-CD2 4.44Å; L102-L388 HydrophobicContact CD2-CD2 3.84Å; L102-L388 HydrophobicContact CD2-CG 4.37Å; I344-L388 HydrophobicContact CG2-CD2 4.05Å; F384-L388 HydrophobicContact CE1-CD2 4Å; F384-L388 HydrophobicContact CZ-CD2 4.26Å; F384-L388 WeakPolarHBondContact O-CB 3.41Å; F384-L388 PolarHBondContact O-N 3.35Å; L385-L388 WeakPolarHBondContact O-CB 3.13Å; L385-L388 PolarHBondContact O-N 2.93Å; N386-L388 VanDerWaalsContact C-N 3.33Å; N386-L388 PolarHBondContact O-N 3.32Å; L388-K390 PolarHBondContact O-N 3.16Å; L388-K391 PolarHBondContact O-N 3.39Å; L388-M392 HydrophobicContact CG-CE 3.85Å; L388-M392 WeakPolarHBondContact O-CE 3.35Å; L388-M392 WeakPolarHBondContact O-CG 3.33Å; L388-M392 PolarHBondContact O-N 3.06Å
389	I	88.5	Confident	82.8	Confident	29 Å²	29	54.7 Å²	54.7	15%	0.149	29%	0.292	C	S	.	.	H	α-helix	trans	-59.3	-46.2	176.8	-69.9	164.4	0	0	0	111.6	R103 A106 L385 N386 K391 M392 S393	R103-I389 HydrophobicContact CG-CD1 4.14Å; R103-I389 HydrophobicContact CG-CG1 4.29Å; R103-I389 HydrophobicContact CG-CG2 4.12Å; A106-I389 HydrophobicContact CB-CD1 3.24Å; L385-I389 WeakPolarHBondContact O-CG1 3.49Å; L385-I389 PolarHBondContact O-N 3.23Å; N386-I389 PolarHBondContact O-N 2.7Å; I389-K391 PolarHBondContact O-N 3.2Å; I389-M392 HydrophobicContact CB-CE 4.42Å; I389-M392 HydrophobicContact CG1-CE 4Å; I389-M392 PolarHBondContact O-N 2.71Å; I389-S393 PolarHBondContact O-N 3.31Å; I389-S393 PolarHBondContact O-OG 2.68Å
390	K	89.3	Confident	80.4	Confident	134 Å²	134	55 Å²	55	58%	0.583	31%	0.309	S	S	*	.	H	α-helix	trans	-58.7	-45.9	178.7	-174.5	179.6	175.6	-176.7	0	111.8	N386 L388 M392 S393 E394	N386-K390 WeakPolarHBondContact O-CB 3.17Å; N386-K390 PolarHBondContact O-N 2.68Å; L388-K390 PolarHBondContact O-N 3.16Å; K390-M392 PolarHBondContact O-N 2.81Å; K390-S393 WeakPolarHBondContact CA-OG 3.43Å; K390-S393 PolarHBondContact O-N 2.85Å; K390-S393 PolarHBondContact O-OG 2.74Å; K390-E394 WeakPolarHBondContact CE-OE1 3.49Å; K390-E394 WeakPolarHBondContact O-CG 3.46Å; K390-E394 PolarHBondContact O-N 3.4Å
391	K	85.6	Confident	78	Confident	40 Å²	40	63.5 Å²	63.5	17%	0.174	35%	0.349	C	S	.	.	H	α-helix	trans	-61.9	-44	175.9	-72.9	-169.5	-177.5	-168	0	112.2	R387 L388 I389 S393 E394 T395 F416	R387-K391 PolarHBondContact O-N 2.59Å; L388-K391 PolarHBondContact O-N 3.39Å; I389-K391 PolarHBondContact O-N 3.2Å; K391-S393 PolarHBondContact O-N 3.31Å; K391-E394 PolarHBondContact O-N 3.49Å; K391-E394 VanDerWaalsContact O-N 3.13Å; K391-T395 PolarHBondContact O-N 3.27Å; K391-T395 PolarHBondContact O-OG1 2.9Å; K391-F416 HydrophobicContact CD-CE2 4.08Å; K391-F416 HydrophobicContact CD-CZ 3.92Å; K391-F416 VanDerWaalsContact NZ-CE2 3.35Å
392	M	82.2	Confident	75.3	Confident	25 Å²	25	71.9 Å²	71.9	12%	0.123	39%	0.388	C	S	.	.	H	α-helix	trans	-64.5	-27	178.1	-72.8	-177.5	-65.5	0	0	113.4	R99 L102 L388 I389 K390	R99-M392 HydrophobicContact CG-SD 4.09Å; L102-M392 HydrophobicContact CD2-CE 3.48Å; L102-M392 VanDerWaalsContact CD2-CE 3.48Å; L102-M392 HydrophobicContact CD2-SD 4.23Å; L102-M392 HydrophobicContact CG-CE 4.44Å; L388-M392 HydrophobicContact CG-CE 3.85Å; L388-M392 WeakPolarHBondContact O-CE 3.35Å; L388-M392 WeakPolarHBondContact O-CG 3.33Å; L388-M392 PolarHBondContact O-N 3.06Å; I389-M392 HydrophobicContact CB-CE 4.42Å; I389-M392 HydrophobicContact CG1-CE 4Å; I389-M392 PolarHBondContact O-N 2.71Å; K390-M392 PolarHBondContact O-N 2.81Å
393	S	81	Confident	72.4	Confident	53 Å²	53	79 Å²	79	37%	0.371	43%	0.425	S	S	.	.	H	α-helix	trans	-74.7	-34.2	172.2	45.8	0	0	0	0	113.2	I389 K390 K391 V396	I389-S393 PolarHBondContact O-N 3.31Å; I389-S393 PolarHBondContact O-OG 2.68Å; K390-S393 WeakPolarHBondContact CA-OG 3.43Å; K390-S393 PolarHBondContact O-N 2.85Å; K390-S393 PolarHBondContact O-OG 2.74Å; K391-S393 PolarHBondContact O-N 3.31Å; S393-V396 PolarHBondContact O-N 2.97Å
394	E	79.3	Confident	69.8	Low	100 Å²	100	82 Å²	82	47%	0.467	45%	0.45	S	S	.	.	H	α-helix	trans	-66.7	-41.9	179.5	-70.6	163.3	-179.9	0	0	111.2	K390 K391 V396 C397	K390-E394 WeakPolarHBondContact CE-OE1 3.49Å; K390-E394 WeakPolarHBondContact O-CG 3.46Å; K390-E394 PolarHBondContact O-N 3.4Å; K391-E394 PolarHBondContact O-N 3.49Å; K391-E394 VanDerWaalsContact O-N 3.13Å; E394-V396 PolarHBondContact O-N 2.71Å; E394-C397 PolarHBondContact O-N 3.46Å
395	T	68.5	Low	67	Low	92 Å²	92	88.5 Å²	88.5	56%	0.564	49%	0.485	S	S	*	.	H	α-helix	trans	-63.1	-23.3	179.5	-44.7	0	0	0	0	114	K391	K391-T395 PolarHBondContact O-N 3.27Å; K391-T395 PolarHBondContact O-OG1 2.9Å
396	V	61.2	Low	64.6	Low	69 Å²	69	96.3 Å²	96.3	42%	0.418	52%	0.521	S	S	.	.	H	α-helix	trans	-77.7	-36.3	179	176.8	0	0	0	0	111.6	R99 S393 E394 E398 S399	R99-V396 VanDerWaalsContact NH1-CG2 3.27Å; S393-V396 PolarHBondContact O-N 2.97Å; E394-V396 PolarHBondContact O-N 2.71Å; V396-E398 VanDerWaalsContact C-N 3.34Å; V396-E398 PolarHBondContact O-N 3.09Å; V396-S399 PolarHBondContact O-N 2.94Å; V396-S399 PolarHBondContact O-OG 2.84Å
397	C	56.6	Low	61.9	Low	94 Å²	94	104.9 Å²	104.9	64%	0.635	55%	0.549	S	S	*	.	H	α-helix	trans	-66.9	-34.6	-177	-65.8	0	0	0	0	112.5	E394 S399 G400	E394-C397 PolarHBondContact O-N 3.46Å; C397-S399 VanDerWaalsContact C-N 3.27Å; C397-S399 PolarHBondContact O-N 3.32Å; C397-G400 PolarHBondContact O-N 3.25Å
398	E	52.4	Low	59.3	Low	135 Å²	135	111.1 Å²	111.1	63%	0.631	58%	0.578	S	S	*	*	H	α-helix	trans	-70.7	-22.3	-179.5	-65.7	-179.8	164.6	0	0	113.1	V396	V396-E398 VanDerWaalsContact C-N 3.34Å; V396-E398 PolarHBondContact O-N 3.09Å
399	S	50.6	Low	56.7	Low	99 Å²	99	118.3 Å²	118.3	69%	0.692	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.9	-9.1	178.5	65.5	0	0	0	0	114.7	V396 C397	V396-S399 PolarHBondContact O-N 2.94Å; V396-S399 PolarHBondContact O-OG 2.84Å; C397-S399 VanDerWaalsContact C-N 3.27Å; C397-S399 PolarHBondContact O-N 3.32Å
400	G	45.5	Very low	54.1	Low	65 Å²	65	125.3 Å²	125.3	67%	0.67	65%	0.654	S	S	*	*	S	Bend	trans	-98.4	-9.6	-172.2	0	0	0	0	0	116.8	C397	C397-G400 PolarHBondContact O-N 3.25Å
401	E	45.8	Very low	51.9	Low	178 Å²	178	123.3 Å²	123.3	83%	0.832	66%	0.657	S	S	*	*	S	Bend	trans	-112.2	6.9	-169.5	-71.7	-171	155.4	0	0	115.5
402	Q	38.7	Very low	49.5	Very low	177 Å²	177	128.1 Å²	128.1	83%	0.827	69%	0.694	S	S	*	*			trans	-102.2	87.1	178	-65	-167.9	11.1	0	0	111.8
403	N	35.4	Very low	47.4	Very low	158 Å²	158	131.8 Å²	131.8	85%	0.845	72%	0.718	S	S	*	*			trans	-148.9	58.3	168.5	-128.8	-6.6	0	0	0	111.9
404	T	39.5	Very low	45.4	Very low	139 Å²	139	131.5 Å²	131.5	85%	0.853	71%	0.712	S	S	*	*	S	Bend	trans	-160.6	115	155.9	38.9	0	0	0	0	111.2
405	D	37.1	Very low	43.5	Very low	143 Å²	143	130.7 Å²	130.7	77%	0.765	72%	0.716	S	S	*	*			trans	56.6	129.8	153.7	-102.9	-39.9	0	0	0	123.3
406	H	42.6	Very low	42.2	Very low	164 Å²	164	131 Å²	131	76%	0.759	71%	0.709	S	S	*	*			trans	94.5	94.4	155.4	-60.8	-15.5	0	0	0	120.9
407	R	35.9	Very low	41.3	Very low	239 Å²	239	129.7 Å²	129.7	90%	0.902	71%	0.705	S	S	*	*				25.5	103.1	128.5	-77.9	179.6	169.1	168.4	-2.3	117.6
408	K	38.3	Very low	40.3	Very low	194 Å²	194	133.5 Å²	133.5	84%	0.843	71%	0.714	S	S	*	*				153.8	126.8	117.1	-87.4	172.6	177.3	178.5	0	111.9
409	N	37.8	Very low	39.6	Very low	158 Å²	158	133.2 Å²	133.2	85%	0.845	72%	0.716	S	S	*	*			trans	65.6	91.8	159.4	-67.7	3.8	0	0	0	118.1	S411	N409-S411 PolarHBondContact O-N 2.95Å
410	D	33.1	Very low	38.8	Very low	175 Å²	175	133.5 Å²	133.5	94%	0.936	72%	0.718	S	S	*	*			trans	-71.4	115.4	163.1	-70.4	-42.3	0	0	0	111.2
411	S	42.2	Very low	38.5	Very low	93 Å²	93	136.2 Å²	136.2	65%	0.65	72%	0.724	S	S	*	*			trans	-125.4	115	150.6	58.3	0	0	0	0	106.7	N409 V413	N409-S411 PolarHBondContact O-N 2.95Å; S411-V413 WeakPolarHBondContact O-CG2 3.39Å; S411-V413 PolarHBondContact O-N 2.89Å; S411-V413 VanDerWaalsContact O-N 3.1Å
412	C	35.4	Very low	37.7	Very low	141 Å²	141	132.7 Å²	132.7	95%	0.953	72%	0.719	S	S	*	*			trans	-60.9	107.8	172.8	-176.2	0	0	0	0	108.3
413	V	37.9	Very low	37.3	Very low	101 Å²	101	134.1 Å²	134.1	61%	0.612	72%	0.723	S	S	*	*			trans	-95.1	119.4	179.9	178.3	0	0	0	0	108.4	S411 A417	S411-V413 WeakPolarHBondContact O-CG2 3.39Å; S411-V413 PolarHBondContact O-N 2.89Å; S411-V413 VanDerWaalsContact O-N 3.1Å; V413-A417 HydrophobicContact CG1-CB 4.48Å
414	D	40.2	Very low	36.9	Very low	48 Å²	48	131.3 Å²	131.3	26%	0.257	72%	0.721	S	S	.	*			trans	-60.6	126.6	170.4	-178.5	-17.4	0	0	0	110.2	F416 A417	D414-F416 PolarHBondContact O-N 2.97Å; D414-F416 PolarHBondContact OD1-N 3.15Å; D414-A417 VanDerWaalsContact O-CB 3.29Å; D414-A417 WeakPolarHBondContact O-CB 3.49Å; D414-A417 PolarHBondContact O-N 2.8Å
415	P	39.9	Very low	36.5	Very low	83 Å²	83	130 Å²	130	54%	0.539	72%	0.718	S	S	.	*	T	Hydrogen-bonded Turn	trans	-61.8	-5.8	177.6	-19.7	31.2	0	0	0	115.4
416	F	41.1	Very low	36.1	Very low	98 Å²	98	133.9 Å²	133.9	43%	0.43	72%	0.722	S	S	.	*	T	Hydrogen-bonded Turn	trans	-101.3	1.2	172.5	-68.3	-78.1	0	0	0	114.7	K391 D414 Q418	K391-F416 HydrophobicContact CD-CE2 4.08Å; K391-F416 HydrophobicContact CD-CZ 3.92Å; K391-F416 VanDerWaalsContact NZ-CE2 3.35Å; D414-F416 PolarHBondContact O-N 2.97Å; D414-F416 PolarHBondContact OD1-N 3.15Å; F416-Q418 PolarHBondContact O-N 3.39Å; F416-Q418 VanDerWaalsContact O-N 3.15Å
417	A	41.4	Very low	35.4	Very low	41 Å²	41	135.3 Å²	135.3	34%	0.339	73%	0.729	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70	-4.3	176.8	0	0	0	0	0	114.5	V413 D414 L419	V413-A417 HydrophobicContact CG1-CB 4.48Å; D414-A417 VanDerWaalsContact O-CB 3.29Å; D414-A417 WeakPolarHBondContact O-CB 3.49Å; D414-A417 PolarHBondContact O-N 2.8Å; A417-L419 VanDerWaalsContact C-N 3.31Å; A417-L419 PolarHBondContact O-N 3.48Å
418	Q	35.7	Very low	35.2	Very low	174 Å²	174	129.7 Å²	129.7	81%	0.813	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.5	19.3	-176.8	-64.6	-170.1	4.3	0	0	115.4	F416	F416-Q418 PolarHBondContact O-N 3.39Å; F416-Q418 VanDerWaalsContact O-N 3.15Å
419	L	38	Very low	34.6	Very low	129 Å²	129	127.6 Å²	127.6	68%	0.675	72%	0.718	S	S	*	*	S	Bend	trans	-106.9	79.9	169.7	-67.2	172.9	0	0	0	110.1	A417	A417-L419 VanDerWaalsContact C-N 3.31Å; A417-L419 PolarHBondContact O-N 3.48Å
420	S	34.2	Very low	34.3	Very low	106 Å²	106	126.6 Å²	126.6	74%	0.741	72%	0.717	S	S	*	*			trans	-46.4	143.6	-179	54.6	0	0	0	0	115.8
421	P	38.2	Very low	34.1	Very low	122 Å²	122	123.9 Å²	123.9	79%	0.792	71%	0.707	S	S	*	*			trans	-112.8	108.6	140.1	27.8	-14.1	0	0	0	109.9	F423	P421-F423 PolarHBondContact O-N 3.16Å
422	S	30.1	Very low	33.6	Very low	103 Å²	103	125.1 Å²	125.1	72%	0.72	72%	0.716	S	S	*	*			trans	-70.9	92.3	167	56.5	0	0	0	0	110
423	F	30.5	Very low	33.6	Very low	207 Å²	207	123.5 Å²	123.5	91%	0.908	70%	0.704	S	S	*	*			trans	-153.2	87.1	157.2	-93.7	-75.2	0	0	0	110.2	P421	P421-F423 PolarHBondContact O-N 3.16Å
424	A	26.7	Very low	33.4	Very low	99 Å²	99	126.9 Å²	126.9	82%	0.818	71%	0.713	S	S	*	*			trans	-119.8	108	158.2	0	0	0	0	0	107.7
425	S	31.3	Very low	33.1	Very low	113 Å²	113	129.8 Å²	129.8	79%	0.79	73%	0.734	S	S	*	*			trans	-145.2	95	161.2	-84.6	0	0	0	0	110.2
426	R	27.4	Very low	32.8	Very low	224 Å²	224	133.1 Å²	133.1	85%	0.845	75%	0.746	S	S	*	*			trans	44.1	111.1	136.4	-71.3	-179.7	171.8	-154.6	-2.7	117.8
427	Q	28.6	Very low	32.5	Very low	194 Å²	194	133.8 Å²	133.8	91%	0.907	76%	0.76	S	S	*	*			trans	-127.2	106.8	136	-72	-169.6	-5.9	0	0	109.2
428	T	31.2	Very low	32	Very low	121 Å²	121	139.9 Å²	139.9	74%	0.742	78%	0.782	S	S	*	*			trans	-81.3	123.1	171.3	-38.8	0	0	0	0	108.1
429	I	25.5	Very low	31.9	Very low	150 Å²	150	136.6 Å²	136.6	77%	0.769	77%	0.773	S	S	*	*			trans	-78.3	126	173.4	-63.9	165.4	0	0	0	108.1
430	V	30.9	Very low	31.7	Very low	136 Å²	136	138.6 Å²	138.6	82%	0.824	78%	0.777	S	S	*	*			trans	-130.4	120	159	178.7	0	0	0	0	108.5
431	T	29	Very low	31.7	Very low	119 Å²	119	141.3 Å²	141.3	73%	0.73	78%	0.778	S	S	*	*			trans	-88.4	154.2	-179.6	23	0	0	0	0	113.2
432	S	33.4	Very low	31.6	Very low	119 Å²	119	144 Å²	144	83%	0.832	78%	0.779	S	S	*	*			trans	106.4	143.5	153.6	-100.2	0	0	0	0	120.1
433	P	34.1	Very low	31.9	Very low	107 Å²	107	143.6 Å²	143.6	70%	0.695	78%	0.775	S	S	*	*			trans	-132.4	-172.8	-138.2	35.9	-13.5	0	0	0	115.4
434	Q	34.5	Very low	32.2	Very low	172 Å²	172	139.7 Å²	139.7	80%	0.804	77%	0.768	S	S	*	*			trans	109.8	157.5	158.2	-62.7	-95.3	-18.1	0	0	116.4
435	P	33.8	Very low	32.8	Very low	109 Å²	109	140.4 Å²	140.4	71%	0.708	76%	0.764	S	S	*	*				-137.1	178.3	-60.7	39.3	-20.6	0	0	0	114
436	I	34.3	Very low	33.1	Very low	153 Å²	153	143.3 Å²	143.3	79%	0.785	77%	0.766	S	S	*	*			trans	-81.9	161.4	-169.5	-48	158.4	0	0	0	112.8
437	P	33.8	Very low	33.5	Very low	112 Å²	112	140.7 Å²	140.7	73%	0.727	76%	0.763	S	S	*	*				-145.8	131.1	108	25.7	-4.3	0	0	0	115.2
438	Q	31.7	Very low	33.7	Very low	169 Å²	169	136.4 Å²	136.4	79%	0.79	75%	0.75	S	S	*	*				59.1	131.5	107.2	-55.1	-174.3	-6.4	0	0	114.9
439	T	32.5	Very low	33.7	Very low	104 Å²	104	136.7 Å²	136.7	64%	0.638	75%	0.752	S	S	*	*				174.3	141.6	66.1	-48.1	0	0	0	0	111.8
440	K	34.2	Very low	34.2	Very low	172 Å²	172	134.4 Å²	134.4	75%	0.748	76%	0.755	S	S	*	*			trans	61.8	147.4	148.2	-74.4	171.7	-177.6	-160.2	0	120.2
441	E	34.1	Very low	34.4	Very low	163 Å²	163	133.7 Å²	133.7	76%	0.762	76%	0.756	S	S	*	*			cis	-162.7	180	12.8	-126.6	155.9	-153.7	0	0	110.3
442	Q	35.1	Very low	35.1	Very low	177 Å²	177	133.5 Å²	133.5	83%	0.827	76%	0.757	S	S	*	*			trans	-109.8	-152.3	-147.9	-148.3	-167.2	-35.6	0	0	112.2
443	P	38.4	Very low	35.2	Very low	95 Å²	95	136.6 Å²	136.6	62%	0.617	76%	0.755	S	S	*	*				-111.5	-178.6	-98.2	30.7	-7.4	0	0	0	113.6
444	T	36.1	Very low	35.5	Very low	126 Å²	126	139.9 Å²	139.9	77%	0.773	76%	0.761	S	S	*	*				165	156.6	74.1	-50.6	0	0	0	0	108.8
445	P	39.9	Very low	35.6	Very low	114 Å²	114	135.1 Å²	135.1	74%	0.74	75%	0.751	S	S	*	*			trans	-118.2	178.4	-168.4	41	-27.1	0	0	0	115.4
446	E	36.3	Very low	35.6	Very low	174 Å²	174	136.1 Å²	136.1	81%	0.813	76%	0.755	S	S	*	*			trans	-158	123.5	161.1	-105.4	171.3	-175.2	0	0	109.6
447	Q	35.2	Very low	35.7	Very low	168 Å²	168	137.7 Å²	137.7	79%	0.785	76%	0.757	S	S	*	*				64.6	138.7	97.5	-72	-168	10.2	0	0	113.9
448	T	33.7	Very low	35.6	Very low	105 Å²	105	137.7 Å²	137.7	64%	0.644	76%	0.755	S	S	*	*			cis	-173.8	150.5	23.1	-5.9	0	0	0	0	110.7
449	T	31.8	Very low	35.8	Very low	127 Å²	127	136.5 Å²	136.5	78%	0.779	75%	0.754	S	S	*	*			trans	51.5	132.7	139	60.8	0	0	0	0	124.1
450	A	35.1	Very low	35.8	Very low	101 Å²	101	137.8 Å²	137.8	84%	0.835	76%	0.761	S	S	*	*				167	156.9	96.5	0	0	0	0	0	113.7
451	S	36	Very low	35.9	Very low	121 Å²	121	137.6 Å²	137.6	85%	0.846	77%	0.767	S	S	*	*			trans	-108.2	179.1	-160.2	-57.2	0	0	0	0	114.2
452	P	43.4	Very low	35.7	Very low	115 Å²	115	134.9 Å²	134.9	75%	0.747	77%	0.766	S	S	*	*			trans	-105.9	-175.1	-158.3	42.1	-35	0	0	0	115.1
453	K	35.8	Very low	35.6	Very low	184 Å²	184	135.8 Å²	135.8	80%	0.8	77%	0.77	S	S	*	*			trans	173.9	156.9	145.9	-99.7	166.8	-171	-175.9	0	117.1
454	H	39.5	Very low	35.4	Very low	176 Å²	176	141.1 Å²	141.1	82%	0.815	78%	0.784	S	S	*	*			trans	86.1	149.7	154.2	-70.8	-67.9	0	0	0	121.3
455	A	36.8	Very low	35.6	Very low	73 Å²	73	140.8 Å²	140.8	60%	0.603	78%	0.783	S	S	*	*			cis	177.8	145.9	-31.6	0	0	0	0	0	111.1
456	T	33.5	Very low	35.3	Very low	129 Å²	129	140.3 Å²	140.3	79%	0.791	78%	0.783	S	S	*	*			trans	74.4	142.9	140.7	14.1	0	0	0	0	127.8
457	K	36.3	Very low	35.1	Very low	186 Å²	186	137.1 Å²	137.1	81%	0.809	78%	0.78	S	S	*	*			trans	93.9	147.3	143.3	-79.9	-178.3	-178.6	-175.3	0	119.7
458	T	32.7	Very low	35.2	Very low	113 Å²	113	133.7 Å²	133.7	69%	0.693	77%	0.774	S	S	*	*			cis	-172.7	177.3	-31.2	10	0	0	0	0	108.3
459	D	35.8	Very low	35.4	Very low	144 Å²	144	136 Å²	136	77%	0.77	78%	0.783	S	S	*	*			trans	98.2	109.1	164.3	-54.3	-25	0	0	0	116.2
460	V	31.8	Very low	35.3	Very low	131 Å²	131	141.9 Å²	141.9	79%	0.794	79%	0.791	S	S	*	*				74.3	117.3	60.1	-174	0	0	0	0	114.6
461	I	36.9	Very low	35.2	Very low	167 Å²	167	144.3 Å²	144.3	86%	0.856	79%	0.789	S	S	*	*				176.6	144.1	129.8	-84.1	154.7	0	0	0	109.8
462	S	28.8	Very low	35.5	Very low	106 Å²	106	145.4 Å²	145.4	74%	0.741	78%	0.784	S	S	*	*			trans	-115.1	147.5	-169.2	127.6	0	0	0	0	111.1
463	E	34.4	Very low	35	Very low	197 Å²	197	146.9 Å²	146.9	92%	0.921	79%	0.786	S	S	*	*			trans	-149.5	163.9	156.4	-77.6	-152.4	159	0	0	113.6
464	K	34.6	Very low	34.9	Very low	207 Å²	207	146 Å²	146	90%	0.9	79%	0.789	S	S	*	*			trans	-105.5	179.8	-140.6	-112.7	-168.1	175	171.1	0	115.8
465	P	39.1	Very low	34.8	Very low	118 Å²	118	144 Å²	144	77%	0.766	79%	0.79	S	S	*	*			trans	-107.7	-179.4	-155	43.2	-40.7	0	0	0	116.7
466	S	33	Very low	35	Very low	105 Å²	105	145 Å²	145	73%	0.734	79%	0.785	S	S	*	*			trans	-150	129.7	170.6	164.1	0	0	0	0	114
467	S	33.9	Very low	35.8	Very low	106 Å²	106	144.4 Å²	144.4	74%	0.741	78%	0.783	S	S	*	*			trans	19.8	147	149.7	64.7	0	0	0	0	121.1
468	S	36	Very low	36.5	Very low	96 Å²	96	143.6 Å²	143.6	67%	0.671	78%	0.782	S	S	*	*			cis	-178.5	165.6	49.4	-161.1	0	0	0	0	113.1
469	N	37.9	Very low	37.1	Very low	154 Å²	154	146.7 Å²	146.7	82%	0.824	79%	0.786	S	S	*	*			trans	99.3	102.7	153.6	-60.2	-18.1	0	0	0	120.6
470	R	29.2	Very low	37.1	Very low	250 Å²	250	148.9 Å²	148.9	94%	0.943	79%	0.789	S	S	*	*			trans	-62.9	141.6	163.2	-71.6	169	161.7	173.3	-6.5	112.6
471	L	33.2	Very low	37.4	Very low	153 Å²	153	148.2 Å²	148.2	80%	0.801	79%	0.785	S	S	*	*			trans	-166.6	116.5	134.7	-151.7	70.8	0	0	0	111.7
472	L	42.8	Very low	37.5	Very low	143 Å²	143	147.9 Å²	147.9	75%	0.749	79%	0.785	S	S	*	*			trans	54.2	97.6	150.5	-57.7	164.6	0	0	0	117.7
473	D	33.3	Very low	37.6	Very low	147 Å²	147	150.2 Å²	150.2	79%	0.786	79%	0.789	S	S	*	*				54.7	86.1	70.9	-157.3	17	0	0	0	114.7
474	L	33.7	Very low	37.7	Very low	166 Å²	166	148.5 Å²	148.5	87%	0.869	79%	0.785	S	S	*	*			trans	-172.3	40	167.2	-108.8	146.8	0	0	0	113.5
475	T	38.1	Very low	37.8	Very low	134 Å²	134	143.8 Å²	143.8	82%	0.822	78%	0.775	S	S	*	*			trans	-148.9	41.5	179.9	61.4	0	0	0	0	113.9	P477	T475-P477 WeakPolarHBondContact O-CD 3.47Å
476	D	40.5	Very low	37.6	Very low	94 Å²	94	144.5 Å²	144.5	50%	0.503	78%	0.78	S	S	.	*			trans	-97.5	101.1	172.1	-165.5	-5.4	0	0	0	111.3	E478	D476-E478 PolarHBondContact O-N 3.42Å; D476-E478 PolarHBondContact OD1-N 3.42Å; D476-E478 VanDerWaalsContact OD1-N 3.16Å
477	P	48.9	Very low	38	Very low	116 Å²	116	145.1 Å²	145.1	75%	0.753	78%	0.78	S	S	*	*	G	3₁₀ helix	trans	-72.5	-1.3	179.9	30.1	-34.6	0	0	0	113.9	T475 K479	T475-P477 WeakPolarHBondContact O-CD 3.47Å; P477-K479 VanDerWaalsContact C-N 3.31Å; P477-K479 PolarHBondContact O-N 3.13Å
478	E	51.4	Low	38.1	Very low	169 Å²	169	145.9 Å²	145.9	79%	0.79	79%	0.785	S	S	*	*	G	3₁₀ helix	trans	-83.6	-1.6	177.7	-62.3	-161.3	158.8	0	0	114.2	D476	D476-E478 PolarHBondContact O-N 3.42Å; D476-E478 PolarHBondContact OD1-N 3.42Å; D476-E478 VanDerWaalsContact OD1-N 3.16Å
479	K	46.5	Very low	38.5	Very low	177 Å²	177	150.4 Å²	150.4	77%	0.77	79%	0.793	S	S	*	*	G	3₁₀ helix	trans	-95.9	7.6	178.7	-75.9	-172.4	178.7	-177.2	0	115.9	P477	P477-K479 VanDerWaalsContact C-N 3.31Å; P477-K479 PolarHBondContact O-N 3.13Å
480	F	36.1	Very low	39.1	Very low	191 Å²	191	153.6 Å²	153.6	84%	0.838	79%	0.793	S	S	*	*			trans	-114.3	83.7	177.2	-110.3	-91.2	0	0	0	110.9
481	T	36.3	Very low	40.1	Very low	116 Å²	116	151 Å²	151	71%	0.712	79%	0.789	S	S	*	*			trans	-119.9	114.9	170	-46	0	0	0	0	108.8
482	L	39.2	Very low	41.4	Very low	161 Å²	161	148.6 Å²	148.6	84%	0.843	78%	0.78	S	S	*	*			trans	-104.2	118.4	166.5	-86.6	168.7	0	0	0	108.1
483	D	31.7	Very low	43.1	Very low	155 Å²	155	145.6 Å²	145.6	83%	0.829	77%	0.768	S	S	*	*			trans	-63	124.8	-176.4	-70.3	-50.3	0	0	0	113.1
484	L	37.4	Very low	44.7	Very low	160 Å²	160	146.6 Å²	146.6	84%	0.838	77%	0.766	S	S	*	*			trans	-135.7	137.6	163	-85.1	156.9	0	0	0	109
485	P	35.4	Very low	46.6	Very low	108 Å²	108	144.8 Å²	144.8	70%	0.701	75%	0.753	S	S	*	*			trans	-76.2	156.8	-164.4	30.5	-34.1	0	0	0	113.5	T487	P485-T487 PolarHBondContact O-N 3.15Å
486	P	35.9	Very low	48.3	Very low	133 Å²	133	140.9 Å²	140.9	86%	0.864	73%	0.727	S	S	*	*			trans	-81.9	110.6	-166.7	32	-32.2	0	0	0	111.9
487	T	41.2	Very low	49.2	Very low	118 Å²	118	143.6 Å²	143.6	72%	0.724	73%	0.734	S	S	*	*			trans	-83.8	117.9	163.2	57.7	0	0	0	0	109.8	P485 K489	P485-T487 PolarHBondContact O-N 3.15Å; T487-K489 PolarHBondContact O-N 3.46Å; T487-K489 VanDerWaalsContact O-N 3.14Å
488	S	34.8	Very low	50	Low	123 Å²	123	143.6 Å²	143.6	86%	0.86	72%	0.723	S	S	*	*			trans	-51.7	107.4	177.5	54.6	0	0	0	0	113
489	K	44.2	Very low	50.6	Low	190 Å²	190	140.2 Å²	140.2	83%	0.826	71%	0.71	S	S	*	*			trans	-100.4	99.5	169.6	-69.9	-174.2	-178.1	176.8	0	109.8	T487 K491	T487-K489 PolarHBondContact O-N 3.46Å; T487-K489 VanDerWaalsContact O-N 3.14Å; K489-K491 PolarHBondContact O-N 3.1Å
490	R	52.1	Low	51.3	Low	222 Å²	222	134.4 Å²	134.4	84%	0.838	70%	0.695	S	S	*	*			trans	-56	124.5	168.3	-172.9	176.4	-180	171	-0.3	108.9	T492	R490-T492 PolarHBondContact O-N 2.91Å
491	K	49.7	Very low	52.2	Low	196 Å²	196	131.7 Å²	131.7	85%	0.852	69%	0.685	S	S	*	*			trans	-67.3	111.4	171.9	-99.6	178.8	175.2	175.2	0	108.9	K489 T493	K489-K491 PolarHBondContact O-N 3.1Å; K491-T493 PolarHBondContact O-N 3.27Å
492	T	61.4	Low	53	Low	101 Å²	101	129.9 Å²	129.9	62%	0.62	68%	0.677	S	S	*	*			trans	-67.7	119.3	169.5	-43.6	0	0	0	0	109	R490 D496 F497	R490-T492 PolarHBondContact O-N 2.91Å; T492-D496 WeakPolarHBondContact CA-OD2 3.47Å; T492-D496 HydrophobicContact CG2-CB 3.6Å; T492-F497 HydrophobicContact CG2-CD2 4.45Å; T492-F497 HydrophobicContact CG2-CE2 4.31Å
493	T	76.5	Confident	53.7	Low	81 Å²	81	124.8 Å²	124.8	50%	0.497	66%	0.658	S	S	.	*			trans	-94.7	163.2	177.6	46	0	0	0	0	111.1	K491 Q495 D496	K491-T493 PolarHBondContact O-N 3.27Å; T493-Q495 PolarHBondContact O-N 3.42Å; T493-D496 PolarHBondContact N-OD2 3.07Å; T493-D496 WeakPolarHBondContact O-CB 3.37Å; T493-D496 PolarHBondContact O-N 3.43Å; T493-D496 PolarHBondContact OG1-OD2 3.24Å; T493-D496 VanDerWaalsContact OG1-OD2 3.08Å
494	K	68.7	Low	54.5	Low	168 Å²	168	127.7 Å²	127.7	73%	0.73	66%	0.658	S	S	*	*	H	α-helix	trans	-53.5	-27.5	176	-165.4	178.5	-179.3	-178.6	0	112.5	F497 F498	K494-F497 PolarHBondContact O-N 3.37Å; K494-F498 HydrophobicContact CG-CE2 4.27Å; K494-F498 WeakPolarHBondContact O-CD2 3.38Å
495	Q	73.1	Confident	55.1	Low	128 Å²	128	128 Å²	128	60%	0.598	65%	0.654	S	S	*	*	H	α-helix	trans	-66.1	-34.6	175.2	-147.5	75.4	16.1	0	0	112.9	T493 F497 F498 N499	T493-Q495 PolarHBondContact O-N 3.42Å; Q495-F497 VanDerWaalsContact C-N 3.26Å; Q495-F497 PolarHBondContact O-N 3.43Å; Q495-F498 PolarHBondContact O-N 2.9Å; Q495-N499 PolarHBondContact O-N 3.24Å; Q495-N499 VanDerWaalsContact O-N 3.07Å
496	D	72.7	Confident	55.7	Low	51 Å²	51	127.1 Å²	127.1	27%	0.273	65%	0.651	S	S	.	*	H	α-helix	trans	-68.3	-28.1	-179.7	-61	-47.1	0	0	0	111.6	T492 T493 A500	T492-D496 WeakPolarHBondContact CA-OD2 3.47Å; T492-D496 HydrophobicContact CG2-CB 3.6Å; T493-D496 PolarHBondContact N-OD2 3.07Å; T493-D496 WeakPolarHBondContact O-CB 3.37Å; T493-D496 PolarHBondContact O-N 3.43Å; T493-D496 PolarHBondContact OG1-OD2 3.24Å; T493-D496 VanDerWaalsContact OG1-OD2 3.08Å; D496-A500 WeakPolarHBondContact O-CB 3.38Å; D496-A500 PolarHBondContact O-N 3.38Å; D496-A500 VanDerWaalsContact O-N 3.15Å
497	F	60	Low	56.1	Low	152 Å²	152	126.7 Å²	126.7	67%	0.667	65%	0.646	S	S	*	*	H	α-helix	trans	-71.7	-36.5	173.3	-89	-88.8	0	0	0	113.1	T492 K494 Q495 Q501	T492-F497 HydrophobicContact CG2-CD2 4.45Å; T492-F497 HydrophobicContact CG2-CE2 4.31Å; K494-F497 PolarHBondContact O-N 3.37Å; Q495-F497 VanDerWaalsContact C-N 3.26Å; Q495-F497 PolarHBondContact O-N 3.43Å; F497-Q501 PolarHBondContact O-N 3.4Å
498	F	65.7	Low	56.1	Low	116 Å²	116	125.2 Å²	125.2	51%	0.509	65%	0.646	S	S	.	*	H	α-helix	trans	-72.6	-34.6	175.5	-77.9	-71.4	0	0	0	112.4	K494 Q495 Q501 S502	K494-F498 HydrophobicContact CG-CE2 4.27Å; K494-F498 WeakPolarHBondContact O-CD2 3.38Å; Q495-F498 PolarHBondContact O-N 2.9Å; F498-Q501 PolarHBondContact O-N 3.05Å; F498-S502 PolarHBondContact O-N 3.23Å; F498-S502 VanDerWaalsContact O-N 3.13Å; F498-S502 PolarHBondContact O-OG 3.14Å
499	N	65.1	Low	56.3	Low	97 Å²	97	123.9 Å²	123.9	52%	0.519	64%	0.636	S	S	.	*	H	α-helix	trans	-69.4	-34.1	175.9	-71.9	-9.8	0	0	0	112.1	Q495 Q501 S502 A503	Q495-N499 PolarHBondContact O-N 3.24Å; Q495-N499 VanDerWaalsContact O-N 3.07Å; N499-Q501 VanDerWaalsContact C-N 3.35Å; N499-Q501 PolarHBondContact O-N 3.08Å; N499-S502 PolarHBondContact O-N 2.77Å; N499-A503 WeakPolarHBondContact O-CB 3.38Å; N499-A503 PolarHBondContact O-N 3.29Å
500	A	60.4	Low	56	Low	56 Å²	56	123.8 Å²	123.8	46%	0.463	64%	0.639	S	S	.	*	H	α-helix	trans	-70	-27.1	176.3	0	0	0	0	0	113.8	D496	D496-A500 WeakPolarHBondContact O-CB 3.38Å; D496-A500 PolarHBondContact O-N 3.38Å; D496-A500 VanDerWaalsContact O-N 3.15Å
501	Q	55.5	Low	55.3	Low	133 Å²	133	123 Å²	123	62%	0.621	64%	0.644	S	S	*	*	H	α-helix	trans	-80.9	-33.1	172.7	-76.2	-176.7	-12.6	0	0	112.5	F497 F498 N499 R504	F497-Q501 PolarHBondContact O-N 3.4Å; F498-Q501 PolarHBondContact O-N 3.05Å; N499-Q501 VanDerWaalsContact C-N 3.35Å; N499-Q501 PolarHBondContact O-N 3.08Å; Q501-R504 PolarHBondContact O-N 3.23Å
502	S	52.7	Low	54.9	Low	78 Å²	78	118.8 Å²	118.8	55%	0.545	64%	0.64	S	S	.	*	H	α-helix	trans	-72.8	-34.3	175.4	-59.5	0	0	0	0	112.4	F498 N499 R504 H505 S506	F498-S502 PolarHBondContact O-N 3.23Å; F498-S502 VanDerWaalsContact O-N 3.13Å; F498-S502 PolarHBondContact O-OG 3.14Å; N499-S502 PolarHBondContact O-N 2.77Å; S502-R504 PolarHBondContact O-N 3.49Å; S502-H505 PolarHBondContact O-N 3.16Å; S502-S506 PolarHBondContact O-N 3.26Å
503	A	52.8	Low	54.1	Low	55 Å²	55	120.8 Å²	120.8	46%	0.455	65%	0.652	S	S	.	*	T	Hydrogen-bonded Turn	trans	-69.7	-17.4	175.9	0	0	0	0	0	113.9	N499 V507	N499-A503 WeakPolarHBondContact O-CB 3.38Å; N499-A503 PolarHBondContact O-N 3.29Å; A503-V507 WeakPolarHBondContact O-CG2 3.13Å
504	R	49.5	Very low	52.3	Low	215 Å²	215	120.3 Å²	120.3	81%	0.811	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	-13.1	174	-75	-176.9	178	-178.7	-0.5	113.6	Q501 S502	Q501-R504 PolarHBondContact O-N 3.23Å; S502-R504 PolarHBondContact O-N 3.49Å
505	H	49	Very low	51	Low	166 Å²	166	119 Å²	119	77%	0.769	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.6	-10.1	175.6	-81.6	-68.2	0	0	0	114.1	S502	S502-H505 PolarHBondContact O-N 3.16Å
506	S	47.9	Very low	49.6	Very low	90 Å²	90	119.2 Å²	119.2	63%	0.629	68%	0.683	S	S	*	*	S	Bend	trans	-98.8	6.9	177.1	90.3	0	0	0	0	115.1	S502	S502-S506 PolarHBondContact O-N 3.26Å
507	V	45	Very low	48.5	Very low	124 Å²	124	120.3 Å²	120.3	75%	0.752	71%	0.707	S	S	*	*	S	Bend	trans	-108.5	11.5	179	-174	0	0	0	0	111.6	A503	A503-V507 WeakPolarHBondContact O-CG2 3.13Å
508	A	40.9	Very low	48	Very low	88 Å²	88	118 Å²	118	73%	0.727	72%	0.715	S	S	*	*	S	Bend	trans	-109.2	16.6	-176.2	0	0	0	0	0	114.5
509	S	39.3	Very low	47.8	Very low	95 Å²	95	117.8 Å²	117.8	66%	0.664	73%	0.726	S	S	*	*	S	Bend	trans	-149.9	66.4	-175.1	56.6	0	0	0	0	111.8
510	E	38.6	Very low	46.6	Very low	188 Å²	188	118.5 Å²	118.5	88%	0.879	75%	0.745	S	S	*	*			trans	-168.1	86	162.8	-110.4	171.1	-160.5	0	0	107.8
511	E	37.2	Very low	46.1	Very low	204 Å²	204	120 Å²	120	95%	0.953	76%	0.758	S	S	*	*			trans	-177.5	87.5	148.5	-102.8	174.9	-167.6	0	0	108.4
512	S	40.3	Very low	45.9	Very low	109 Å²	109	127.5 Å²	127.5	76%	0.762	79%	0.788	S	S	*	*			trans	-102.9	148.1	166.9	61.5	0	0	0	0	109.2
513	V	44.8	Very low	45.5	Very low	142 Å²	142	130 Å²	130	86%	0.861	80%	0.8	S	S	*	*			trans	91	102.3	163.4	-167.4	0	0	0	0	115
514	G	39.3	Very low	45.2	Very low	71 Å²	71	133.9 Å²	133.9	73%	0.732	82%	0.818	S	S	*	*			trans	179.2	46.6	173.8	0	0	0	0	0	116.1
515	T	42.3	Very low	44.9	Very low	142 Å²	142	129.4 Å²	129.4	87%	0.871	82%	0.819	S	S	*	*			trans	47.1	124.4	145.6	-26.6	0	0	0	0	121.9
516	C	43.2	Very low	44.7	Very low	131 Å²	131	127.2 Å²	127.2	89%	0.885	82%	0.822	S	S	*	*			trans	-51.9	152.9	171.4	-68.9	0	0	0	0	116.3
517	G	48.3	Very low	44.5	Very low	74 Å²	74	129.6 Å²	129.6	76%	0.763	83%	0.834	S	S	*	*			trans	179.4	71.7	161.8	0	0	0	0	0	112.7
518	A	51.5	Low	44.4	Very low	103 Å²	103	129.9 Å²	129.9	85%	0.851	84%	0.839	S	S	*	*			trans	-79	149.5	166.4	0	0	0	0	0	110.4
519	P	59.5	Low	44.7	Very low	113 Å²	113	132.9 Å²	132.9	73%	0.734	85%	0.847	S	S	*	*			trans	-127.9	137.8	142.2	34.5	-22.1	0	0	0	110.1	A521	P519-A521 PolarHBondContact O-N 3.47Å; P519-A521 VanDerWaalsContact O-N 3.13Å
520	A	41.4	Very low	45.1	Very low	111 Å²	111	135.8 Å²	135.8	92%	0.917	86%	0.861	S	S	*	*			trans	-65.8	109.4	162.3	0	0	0	0	0	108.4
521	A	50.4	Low	45.7	Very low	88 Å²	88	131.5 Å²	131.5	73%	0.727	86%	0.86	S	S	*	*			trans	-159.3	106.9	166.3	0	0	0	0	0	110	P519	P519-A521 PolarHBondContact O-N 3.47Å; P519-A521 VanDerWaalsContact O-N 3.13Å
522	K	49.9	Very low	46.4	Very low	290 Å²	290	124.9 Å²	124.9	100%	1.261	85%	0.851	S	S	*	*			trans	68	0	-176.6	-83	-173.8	176.6	-179.7	0	118.1

Retrieved 522 of 522 residues in 126.2 ms (Link to these results)

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