A0A087X867_POEFO Loading...

Golgi resident protein GCP60

Involved in the maintenance of Golgi structure by interacting with giantin, affecting protein transport between the endoplasmic reticulum and Golgi. Involved in hormone-induced steroid biosynthesis in testicular Leydig cells. Recruits PI4KB to the Golgi apparatus membrane; enhances the enzyme activity of PI4KB activity via its membrane recruitment thereby increasing the local concentration of the substrate in the vicinity of the kinase.

AlphaFold DB , UniProt , Accession A0A087X867, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 542 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.8	Very low	34.9	Very low	232 Å²	232	137.9 Å²	137.9	100%	1.143	79%	0.789	S	S	*	*				0	143.3	0	-70.8	177.7	178	0	0	106.8
2	M	38.5	Very low	34.7	Very low	178 Å²	178	138.9 Å²	138.9	88%	0.877	79%	0.79	S	S	*	*			trans	63.5	135.7	-169.3	-41.6	-46.2	-175.5	0	0	112.6
3	A	35.3	Very low	34.4	Very low	81 Å²	81	137.3 Å²	137.3	67%	0.669	79%	0.793	S	S	*	*			cis	79.4	131.3	30.5	0	0	0	0	0	112.8
4	T	35.1	Very low	34.2	Very low	115 Å²	115	132.7 Å²	132.7	71%	0.706	78%	0.779	S	S	*	*			cis	-157.4	159.9	-1.5	-1.2	0	0	0	0	112.7
5	E	36	Very low	34.2	Very low	149 Å²	149	132.5 Å²	132.5	70%	0.696	78%	0.78	S	S	*	*			trans	62.7	148.7	148	-75.7	164.6	104.9	0	0	122.4
6	V	40.2	Very low	34.1	Very low	142 Å²	142	132.9 Å²	132.9	86%	0.861	79%	0.785	S	S	*	*			trans	-143.2	128.1	175	-174.4	0	0	0	0	106.5
7	Q	34.2	Very low	34	Very low	155 Å²	155	131.2 Å²	131.2	72%	0.724	78%	0.781	S	S	*	*			trans	-137	132.7	176.3	-75.2	162.2	3.2	0	0	107.7
8	S	34.5	Very low	34	Very low	107 Å²	107	136.6 Å²	136.6	75%	0.748	79%	0.786	S	S	*	*			cis	113.6	95.9	12.6	72.3	0	0	0	0	112.5
9	G	29.4	Very low	33.9	Very low	71 Å²	71	136.4 Å²	136.4	73%	0.732	78%	0.781	S	S	*	*			trans	71.4	176.1	164.5	0	0	0	0	0	116.6
10	D	31.3	Very low	34.1	Very low	149 Å²	149	137.5 Å²	137.5	80%	0.797	78%	0.779	S	S	*	*			cis	-165.8	168	-16.5	-134.6	-36.9	0	0	0	111.4
11	L	33.7	Very low	33.9	Very low	138 Å²	138	136.9 Å²	136.9	72%	0.723	78%	0.778	S	S	*	*			trans	63.1	130.3	155.8	-62.2	165.4	0	0	0	122.6
12	D	32.3	Very low	33.5	Very low	150 Å²	150	131.4 Å²	131.4	80%	0.802	76%	0.762	S	S	*	*			trans	27.9	144.7	132.4	-57.8	-31.6	0	0	0	123.5
13	S	31.1	Very low	33.3	Very low	118 Å²	118	129 Å²	129	83%	0.825	75%	0.752	S	S	*	*				169.8	156.8	103.1	-163.8	0	0	0	0	116.1
14	A	32.2	Very low	33.3	Very low	73 Å²	73	132 Å²	132	60%	0.603	76%	0.756	S	S	*	*			trans	32.3	111.3	150.8	0	0	0	0	0	121
15	T	33.2	Very low	33.1	Very low	130 Å²	130	129.3 Å²	129.3	80%	0.798	75%	0.752	S	S	*	*				59	113.9	76.9	68.1	0	0	0	0	118
16	T	32.4	Very low	32.8	Very low	139 Å²	139	130 Å²	130	85%	0.853	76%	0.759	S	S	*	*			trans	169.3	144	145.1	-80	0	0	0	0	109.3
17	S	33.7	Very low	32.3	Very low	104 Å²	104	128.7 Å²	128.7	73%	0.727	75%	0.752	S	S	*	*			cis	-177.7	165.4	-26.5	-83.8	0	0	0	0	108.2
18	R	33.4	Very low	32	Very low	228 Å²	228	129 Å²	129	86%	0.86	76%	0.758	S	S	*	*			trans	82.5	103.7	160.8	-146.1	163.4	-165.4	145.5	7.3	116.3
19	L	31.4	Very low	32.2	Very low	133 Å²	133	129.4 Å²	129.4	70%	0.696	76%	0.761	S	S	*	*				69.6	137.8	77.7	-62.9	167.6	0	0	0	113.2
20	E	38.1	Very low	32.6	Very low	158 Å²	158	131.7 Å²	131.7	74%	0.738	76%	0.762	S	S	*	*			cis	-147.4	138.5	8.6	-107.2	139.4	-141.2	0	0	109.2
21	V	29.6	Very low	32.4	Very low	125 Å²	125	131.6 Å²	131.6	76%	0.758	76%	0.762	S	S	*	*				71.1	121.9	79.8	178.8	0	0	0	0	116.1
22	S	28.9	Very low	33.4	Very low	116 Å²	116	129.8 Å²	129.8	81%	0.811	76%	0.758	S	S	*	*			trans	-169.7	142.3	151.3	-164.6	0	0	0	0	110.7
23	I	33.9	Very low	33.4	Very low	128 Å²	128	131.7 Å²	131.7	66%	0.656	76%	0.762	S	S	*	*				-158	139	-51.5	-175.8	162.8	0	0	0	108.5
24	D	35.3	Very low	33.2	Very low	144 Å²	144	131.4 Å²	131.4	77%	0.77	75%	0.752	S	S	*	*			trans	41.3	146.8	165	-55.8	-18.6	0	0	0	121.7
25	G	30.9	Very low	33.2	Very low	59 Å²	59	137.5 Å²	137.5	61%	0.608	77%	0.768	S	S	*	*			cis	-161.4	162.7	2.6	0	0	0	0	0	110.6
26	L	28.4	Very low	33	Very low	162 Å²	162	137.3 Å²	137.3	85%	0.848	76%	0.758	S	S	*	*				62.8	124	84.4	-65.2	167.4	0	0	0	113
27	T	30	Very low	32.9	Very low	116 Å²	116	138.7 Å²	138.7	71%	0.712	76%	0.76	S	S	*	*			cis	-149.7	155.6	14.2	53.4	0	0	0	0	115.3
28	L	27.8	Very low	32.8	Very low	161 Å²	161	140.7 Å²	140.7	84%	0.843	76%	0.758	S	S	*	*			trans	14.1	135.2	136.7	-54.3	169.4	0	0	0	121
29	S	38.5	Very low	32.6	Very low	116 Å²	116	135 Å²	135	81%	0.811	75%	0.748	S	S	*	*			trans	-74.7	155.5	151.1	-42.4	0	0	0	0	110.9
30	P	38.8	Very low	32.6	Very low	118 Å²	118	137 Å²	137	77%	0.766	75%	0.754	S	S	*	*				-148.7	159.5	83.2	39.1	-21.5	0	0	0	117.6
31	D	28.1	Very low	32.4	Very low	148 Å²	148	138 Å²	138	79%	0.791	76%	0.758	S	S	*	*			trans	9.8	161.3	131.3	-118.7	36.7	0	0	0	121.6
32	P	54.5	Low	32.9	Very low	100 Å²	100	137.2 Å²	137.2	65%	0.649	76%	0.756	S	S	*	*			cis	-133.5	-175.5	-43	36.7	-19.5	0	0	0	112.3
33	E	30.4	Very low	32.9	Very low	189 Å²	189	139 Å²	139	88%	0.883	76%	0.756	S	S	*	*			trans	-177.3	164.7	131.2	-104.3	175.7	-176.8	0	0	113.5
34	D	27.7	Very low	32.8	Very low	113 Å²	113	140.3 Å²	140.3	60%	0.604	76%	0.764	S	S	*	*			trans	-46.7	143	-168.6	-75.5	-88	0	0	0	119.8	Q36	D34-Q36 WeakPolarHBondContact OD1-CG 3.48Å; D34-Q36 PolarHBondContact OD1-NE2 3Å
35	E	31.8	Very low	32.6	Very low	201 Å²	201	138 Å²	138	94%	0.939	77%	0.765	S	S	*	*				-150.1	156.3	101	-122.2	-177.9	-174	0	0	112.1
36	Q	29.9	Very low	33.3	Very low	125 Å²	125	140.9 Å²	140.9	58%	0.584	77%	0.773	S	S	*	*			trans	-115.4	142.8	-154.2	-59.7	173.1	10.6	0	0	114	D34	D34-Q36 WeakPolarHBondContact OD1-CG 3.48Å; D34-Q36 PolarHBondContact OD1-NE2 3Å
37	N	29.7	Very low	33.1	Very low	169 Å²	169	139.9 Å²	139.9	90%	0.904	77%	0.774	S	S	*	*			trans	-153.8	77.6	152.2	-116.1	-18.3	0	0	0	112.7
38	Q	31.5	Very low	33.3	Very low	146 Å²	146	143 Å²	143	68%	0.682	78%	0.78	S	S	*	*			trans	-4.6	147.5	130.2	-84.1	175.1	63.6	0	0	116.7
39	V	30.4	Very low	34	Very low	107 Å²	107	141.4 Å²	141.4	65%	0.648	78%	0.779	S	S	*	*			cis	-149.5	143.6	29.8	-171.3	0	0	0	0	112.3
40	E	29.9	Very low	33.5	Very low	177 Å²	177	139.2 Å²	139.2	83%	0.827	78%	0.775	S	S	*	*			trans	44.3	110	153.6	-65.4	158.7	-170.2	0	0	123.4
41	E	34.7	Very low	33.6	Very low	177 Å²	177	140.3 Å²	140.3	83%	0.827	78%	0.78	S	S	*	*				-70.5	159.9	123.3	-139.5	-163.7	-145.7	0	0	108.6
42	P	40.3	Very low	33.6	Very low	110 Å²	110	140.9 Å²	140.9	71%	0.714	78%	0.783	S	S	*	*				-160.7	172	79.1	43.8	-23.7	0	0	0	119.2
43	N	28.2	Very low	32.8	Very low	152 Å²	152	142.2 Å²	142.2	81%	0.813	79%	0.789	S	S	*	*			trans	90.3	149.8	139.8	-145.8	9.9	0	0	0	120.6
44	L	32	Very low	33.1	Very low	157 Å²	157	139 Å²	139	82%	0.822	79%	0.785	S	S	*	*			trans	-128	146.9	-170.1	-84.4	164.2	0	0	0	113
45	A	32.2	Very low	33.4	Very low	94 Å²	94	137.6 Å²	137.6	78%	0.777	79%	0.789	S	S	*	*			trans	68.2	161.9	163.9	0	0	0	0	0	117.8
46	P	43.7	Very low	33.8	Very low	120 Å²	120	135.6 Å²	135.6	78%	0.779	79%	0.785	S	S	*	*			cis	-126.8	142	-17.5	33.4	-17.1	0	0	0	114
47	T	25.9	Very low	34.1	Very low	142 Å²	142	138.8 Å²	138.8	87%	0.871	80%	0.8	S	S	*	*			trans	-144.7	132.1	169.3	-30.9	0	0	0	0	114.1
48	Q	32.6	Very low	34.7	Very low	182 Å²	182	140.1 Å²	140.1	85%	0.85	80%	0.8	S	S	*	*			trans	-135.7	165.2	154.1	-84.3	-162.5	-0.5	0	0	107.3
49	P	42.5	Very low	34.7	Very low	126 Å²	126	136.5 Å²	136.5	82%	0.818	80%	0.803	S	S	*	*			cis	-115.8	164.9	-1.2	39.3	-28	0	0	0	113.6
50	G	28	Very low	35.5	Very low	71 Å²	71	139.4 Å²	139.4	73%	0.732	82%	0.815	S	S	*	*			trans	-138.3	135.4	167.7	0	0	0	0	0	109.8
51	T	41	Very low	36.1	Very low	141 Å²	141	138 Å²	138	87%	0.865	81%	0.813	S	S	*	*			trans	-96.5	108.8	178.8	48.9	0	0	0	0	110.1
52	D	28.8	Very low	36.6	Very low	159 Å²	159	133.1 Å²	133.1	85%	0.85	81%	0.81	S	S	*	*			trans	-119.1	113.9	165	-78.3	-55.7	0	0	0	109.5
53	T	37.1	Very low	37.4	Very low	128 Å²	128	131.7 Å²	131.7	79%	0.785	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-81.9	122.8	169.1	-52	0	0	0	0	107.7	A55	T53-A55 PolarHBondContact O-N 2.81Å; T53-A55 VanDerWaalsContact O-N 3.16Å
54	P	38.2	Very low	39.8	Very low	121 Å²	121	127.9 Å²	127.9	79%	0.786	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-62.9	116.7	163.4	-14.7	29.6	0	0	0	107.6
55	A	33	Very low	42.3	Very low	84 Å²	84	122 Å²	122	69%	0.694	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-69.8	153.8	175.1	0	0	0	0	0	110.5	T53 E57	T53-A55 PolarHBondContact O-N 2.81Å; T53-A55 VanDerWaalsContact O-N 3.16Å; A55-E57 PolarHBondContact O-N 3.16Å; A55-E57 VanDerWaalsContact O-N 3.1Å
56	D	40.8	Very low	45	Very low	159 Å²	159	120.2 Å²	120.2	85%	0.85	73%	0.731	S	S	*	*			trans	-65.8	106.9	175	-52.9	-84	0	0	0	110.5
57	E	35.7	Very low	47.3	Very low	193 Å²	193	117 Å²	117	90%	0.902	71%	0.712	S	S	*	*			trans	-92.3	98.7	159.2	-70.7	-166.6	152	0	0	108	A55 G59	A55-E57 PolarHBondContact O-N 3.16Å; A55-E57 VanDerWaalsContact O-N 3.1Å; E57-G59 PolarHBondContact O-N 3.09Å
58	E	42.1	Very low	50.5	Low	196 Å²	196	112.1 Å²	112.1	92%	0.916	69%	0.686	S	S	*	*			trans	-67.9	81.1	173.7	-70.8	-172.4	136.6	0	0	110.7	D60	E58-D60 PolarHBondContact O-N 3.45Å
59	G	31.8	Very low	53.4	Low	71 Å²	71	104 Å²	104	73%	0.732	65%	0.648	S	S	*	*			trans	-77.6	95.5	164.3	0	0	0	0	0	110.5	E57 D61	E57-G59 PolarHBondContact O-N 3.09Å; G59-D61 PolarHBondContact O-N 3.17Å
60	D	46.7	Very low	55.9	Low	168 Å²	168	100.6 Å²	100.6	90%	0.898	62%	0.621	S	S	*	*			trans	-67.1	91.6	167.8	-179.1	37.9	0	0	0	110.1	E58	E58-D60 PolarHBondContact O-N 3.45Å
61	D	42.3	Very low	59	Low	147 Å²	147	105.4 Å²	105.4	79%	0.786	62%	0.617	S	S	*	*			trans	-130	133.8	162.7	-166.1	10.5	0	0	0	108.6	G59 E63	G59-D61 PolarHBondContact O-N 3.17Å; D61-E63 PolarHBondContact O-N 3.36Å
62	G	46	Very low	61.5	Low	74 Å²	74	105.2 Å²	105.2	76%	0.763	61%	0.605	S	S	*	*			trans	-77.5	46	-161.8	0	0	0	0	0	114.8	S64	G62-S64 PolarHBondContact O-N 3.03Å
63	E	56.7	Low	64.7	Low	80 Å²	80	98.6 Å²	98.6	37%	0.374	57%	0.567	S	S	.	*			trans	-72.7	112.6	-174.6	-179.8	155.8	-123.4	0	0	112.5	D61 G65 S67 A68 R71	D61-E63 PolarHBondContact O-N 3.36Å; E63-G65 PolarHBondContact O-N 3.22Å; E63-S67 WeakPolarHBondContact OE1-CB 3.4Å; E63-A68 HydrophobicContact CG-CB 4.03Å; E63-A68 PolarHBondContact OE1-N 2.95Å; E63-R71 VanDerWaalsContact CD-NH1 3.29Å; E63-R71 IonicContact OE1-CZ 3.24Å; E63-R71 VanDerWaalsContact OE1-CZ 3.24Å; E63-R71 IonicContact OE1-NH1 3.61Å; E63-R71 PolarHBondContact OE1-NH1 2.88Å; E63-R71 IonicContact OE1-NH2 2.66Å; E63-R71 PolarHBondContact OE1-NH2 2.95Å; E63-R71 IonicContact OE2-CZ 3.61Å; E63-R71 IonicContact OE2-NH1 2.65Å; E63-R71 PolarHBondContact OE2-NH1 3.35Å; E63-R71 IonicContact OE2-NH2 3.62Å
64	S	79.4	Confident	67.3	Low	73 Å²	73	94 Å²	94	51%	0.51	55%	0.545	S	S	.	.			trans	-53.7	135.5	167.3	174.6	0	0	0	0	111	G62 K66 S67 A68	G62-S64 PolarHBondContact O-N 3.03Å; S64-K66 CarbonylContact O-C 3.58Å; S64-K66 PolarHBondContact O-N 3.06Å; S64-S67 PolarHBondContact O-N 3.12Å; S64-A68 PolarHBondContact O-N 2.89Å
65	G	83.9	Confident	70	Confident	34 Å²	34	88.7 Å²	88.7	35%	0.351	51%	0.51	S	S	.	.	H	α-helix	trans	-56.9	-18.8	-178	0	0	0	0	0	114.6	E63 I69	E63-G65 PolarHBondContact O-N 3.22Å; G65-I69 WeakPolarHBondContact O-CB 3.33Å; G65-I69 PolarHBondContact O-N 3.49Å
66	K	89.8	Confident	73	Confident	55 Å²	55	87.4 Å²	87.4	24%	0.239	50%	0.495	C	S	.	.	H	α-helix	trans	-63.7	-59.5	166.9	171.3	168.9	170.1	-177.4	0	112.2	S64 A68 I69 E70 L77 E149	S64-K66 CarbonylContact O-C 3.58Å; S64-K66 PolarHBondContact O-N 3.06Å; K66-A68 VanDerWaalsContact C-N 3.26Å; K66-A68 PolarHBondContact O-N 3.44Å; K66-I69 WeakPolarHBondContact O-CG2 3.3Å; K66-I69 PolarHBondContact O-N 3.37Å; K66-E70 WeakPolarHBondContact CE-OE1 3.25Å; K66-E70 HydrophobicContact CG-CG 4.25Å; K66-E70 WeakPolarHBondContact O-CG 3.46Å; K66-E70 PolarHBondContact O-N 3.12Å; K66-L77 HydrophobicContact CB-CD2 4.12Å; K66-L77 HydrophobicContact CD-CB 4.47Å; K66-L77 HydrophobicContact CD-CD2 3.89Å; K66-L77 HydrophobicContact CG-CB 4.17Å; K66-L77 HydrophobicContact CG-CD2 3.88Å; K66-E149 WeakPolarHBondContact CD-OE2 3.45Å; K66-E149 IonicContact NZ-OE1 3.06Å; K66-E149 PolarHBondContact NZ-OE1 3.36Å; K66-E149 IonicContact NZ-OE2 2.7Å; K66-E149 PolarHBondContact NZ-OE2 2.92Å
67	S	91.3	Very high	75.7	Confident	53 Å²	53	80 Å²	80	37%	0.371	46%	0.455	S	S	.	.	H	α-helix	trans	-57.9	-39.9	-177.8	-53.5	0	0	0	0	112	E63 S64 I69 E70 R71	E63-S67 WeakPolarHBondContact OE1-CB 3.4Å; S64-S67 PolarHBondContact O-N 3.12Å; S67-I69 PolarHBondContact O-N 2.92Å; S67-E70 PolarHBondContact O-N 2.96Å; S67-R71 WeakPolarHBondContact O-CB 3.47Å; S67-R71 PolarHBondContact O-N 3.49Å
68	A	93.2	Very high	78.6	Confident	40 Å²	40	76.7 Å²	76.7	33%	0.331	44%	0.443	S	S	.	.	H	α-helix	trans	-61.9	-42.5	175.3	0	0	0	0	0	112.7	E63 S64 K66 K72	E63-A68 HydrophobicContact CG-CB 4.03Å; E63-A68 PolarHBondContact OE1-N 2.95Å; S64-A68 PolarHBondContact O-N 2.89Å; K66-A68 VanDerWaalsContact C-N 3.26Å; K66-A68 PolarHBondContact O-N 3.44Å; A68-K72 VanDerWaalsContact O-CB 3.31Å; A68-K72 WeakPolarHBondContact O-CB 3.34Å; A68-K72 PolarHBondContact O-N 3.46Å; A68-K72 VanDerWaalsContact O-N 3.09Å
69	I	94.1	Very high	81.1	Confident	11 Å²	11	71.9 Å²	71.9	6%	0.056	42%	0.42	C	S	.	.	H	α-helix	trans	-76.6	-37	179.9	-148.1	158.1	0	0	0	111.6	G65 K66 S67 K72 W73 L77 L80 V153 V156 K157	G65-I69 WeakPolarHBondContact O-CB 3.33Å; G65-I69 PolarHBondContact O-N 3.49Å; K66-I69 WeakPolarHBondContact O-CG2 3.3Å; K66-I69 PolarHBondContact O-N 3.37Å; S67-I69 PolarHBondContact O-N 2.92Å; I69-K72 PolarHBondContact O-N 3.02Å; I69-W73 PolarHBondContact O-N 3.41Å; I69-W73 VanDerWaalsContact O-N 3.12Å; I69-L77 HydrophobicContact CG2-CD1 3.8Å; I69-L80 HydrophobicContact CG1-CD2 4.05Å; I69-L80 HydrophobicContact CG2-CD2 4.25Å; I69-V153 HydrophobicContact CD1-CG1 4.2Å; I69-V153 HydrophobicContact CG2-CG2 4.03Å; I69-V156 HydrophobicContact CD1-CB 3.99Å; I69-V156 HydrophobicContact CD1-CG1 3.78Å; I69-V156 HydrophobicContact CG1-CG1 4.41Å; I69-K157 HydrophobicContact CD1-CG 4.06Å
70	E	94.1	Very high	84.2	Confident	54 Å²	54	68.5 Å²	68.5	25%	0.252	39%	0.385	S	S	.	.	H	α-helix	trans	-61.3	-47	174.2	-69.4	-176.3	163.3	0	0	111.1	K66 S67 K72 W73 G74 F75 L77	K66-E70 WeakPolarHBondContact CE-OE1 3.25Å; K66-E70 HydrophobicContact CG-CG 4.25Å; K66-E70 WeakPolarHBondContact O-CG 3.46Å; K66-E70 PolarHBondContact O-N 3.12Å; S67-E70 PolarHBondContact O-N 2.96Å; E70-K72 PolarHBondContact O-N 3.34Å; E70-W73 PolarHBondContact O-N 3.45Å; E70-G74 WeakPolarHBondContact O-CA 3.39Å; E70-G74 PolarHBondContact O-N 2.87Å; E70-F75 WeakPolarHBondContact CA-O 3.48Å; E70-F75 WeakPolarHBondContact CG-O 3.45Å; E70-L77 HydrophobicContact CG-CB 4.1Å; E70-L77 WeakPolarHBondContact OE1-CB 3.21Å; E70-L77 PolarHBondContact OE1-N 3.48Å
71	R	93.4	Very high	86.7	Confident	173 Å²	173	61.1 Å²	61.1	65%	0.653	35%	0.345	S	S	*	.	H	α-helix	trans	-61.8	-42.8	174.6	-167.9	-168.5	-60.1	105.7	6.5	112	E63 S67 W73	E63-R71 VanDerWaalsContact CD-NH1 3.29Å; E63-R71 IonicContact OE1-CZ 3.24Å; E63-R71 VanDerWaalsContact OE1-CZ 3.24Å; E63-R71 IonicContact OE1-NH1 3.61Å; E63-R71 PolarHBondContact OE1-NH1 2.88Å; E63-R71 IonicContact OE1-NH2 2.66Å; E63-R71 PolarHBondContact OE1-NH2 2.95Å; E63-R71 IonicContact OE2-CZ 3.61Å; E63-R71 IonicContact OE2-NH1 2.65Å; E63-R71 PolarHBondContact OE2-NH1 3.35Å; E63-R71 IonicContact OE2-NH2 3.62Å; S67-R71 WeakPolarHBondContact O-CB 3.47Å; S67-R71 PolarHBondContact O-N 3.49Å; R71-W73 VanDerWaalsContact C-N 3.34Å; R71-W73 PolarHBondContact O-N 2.98Å
72	K	93.9	Very high	89.2	Confident	137 Å²	137	55.9 Å²	55.9	60%	0.596	33%	0.326	S	S	*	.	H	α-helix	trans	-60.7	-40.4	-178.4	178.2	175.1	178.9	172.2	0	112.8	A68 I69 E70	A68-K72 VanDerWaalsContact O-CB 3.31Å; A68-K72 WeakPolarHBondContact O-CB 3.34Å; A68-K72 PolarHBondContact O-N 3.46Å; A68-K72 VanDerWaalsContact O-N 3.09Å; I69-K72 PolarHBondContact O-N 3.02Å; E70-K72 PolarHBondContact O-N 3.34Å
73	W	94.3	Very high	91.6	Very high	19 Å²	19	53.5 Å²	53.5	7%	0.072	30%	0.296	C	S	.	.	H	α-helix	trans	-102.3	-21.2	-173.1	-64.3	106.6	0	0	0	114.2	I69 E70 R71 L80 N160 F166 A167 V170 R174	I69-W73 PolarHBondContact O-N 3.41Å; I69-W73 VanDerWaalsContact O-N 3.12Å; E70-W73 PolarHBondContact O-N 3.45Å; R71-W73 VanDerWaalsContact C-N 3.34Å; R71-W73 PolarHBondContact O-N 2.98Å; W73-L80 HydrophobicContact CB-CD1 3.8Å; W73-L80 HydrophobicContact CB-CD2 3.94Å; W73-L80 HydrophobicContact CD2-CD1 4.34Å; W73-L80 HydrophobicContact CG-CD1 3.81Å; W73-L80 HydrophobicContact CG-CD2 3.82Å; W73-L80 HydrophobicContact CG-CG 4.49Å; W73-N160 VanDerWaalsContact CH2-OD1 3.27Å; W73-N160 WeakPolarHBondContact CH2-OD1 3.23Å; W73-N160 HydrophobicContact CZ2-CB 4.44Å; W73-N160 WeakPolarHBondContact CZ2-OD1 3.44Å; W73-F166 HydrophobicContact CZ2-CE1 4.43Å; W73-A167 HydrophobicContact CH2-CB 3.61Å; W73-A167 HydrophobicContact CZ3-CB 3.86Å; W73-V170 HydrophobicContact CB-CG1 4.21Å; W73-V170 HydrophobicContact CD2-CG1 4.19Å; W73-V170 HydrophobicContact CE3-CB 3.85Å; W73-V170 HydrophobicContact CE3-CG1 3.61Å; W73-V170 HydrophobicContact CE3-CG2 4.44Å; W73-V170 HydrophobicContact CG-CG1 4.47Å; W73-V170 HydrophobicContact CZ3-CB 4.04Å; W73-V170 HydrophobicContact CZ3-CG1 4.32Å; W73-R174 VanDerWaalsContact O-CD 3.26Å; W73-R174 WeakPolarHBondContact O-CD 3.44Å
74	G	92.9	Very high	93.5	Very high	31 Å²	31	49.7 Å²	49.7	32%	0.32	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.8	26.7	-176.2	0	0	0	0	0	113.7	E70 R177	E70-G74 WeakPolarHBondContact O-CA 3.39Å; E70-G74 PolarHBondContact O-N 2.87Å; G74-R177 PolarHBondContact O-NH2 3.48Å
75	F	95.1	Very high	94.2	Very high	11 Å²	11	47.3 Å²	47.3	5%	0.048	26%	0.259	C	S	.	.	S	Bend	trans	-133.5	140.4	178.3	-76.6	-84.7	0	0	0	109.6	E70 E79 L80 L83 V170 H173 R174	E70-F75 WeakPolarHBondContact CA-O 3.48Å; E70-F75 WeakPolarHBondContact CG-O 3.45Å; F75-E79 HydrophobicContact CB-CB 4.5Å; F75-E79 HydrophobicContact CD1-CB 4.2Å; F75-E79 WeakPolarHBondContact CD1-OE2 3.37Å; F75-L80 HydrophobicContact CB-CB 3.94Å; F75-L83 HydrophobicContact CD1-CD1 4.07Å; F75-L83 HydrophobicContact CD2-CD1 4.4Å; F75-L83 HydrophobicContact CE1-CD1 3.78Å; F75-L83 HydrophobicContact CE2-CD1 4.11Å; F75-L83 HydrophobicContact CG-CD1 4.38Å; F75-L83 HydrophobicContact CZ-CD1 3.8Å; F75-V170 HydrophobicContact CD2-CG1 3.76Å; F75-V170 HydrophobicContact CE2-CG1 3.71Å; F75-H173 HydrophobicContact CZ-CB 3.96Å; F75-R174 HydrophobicContact CD2-CG 4.48Å; F75-R174 HydrophobicContact CE2-CB 3.7Å; F75-R174 HydrophobicContact CE2-CG 3.86Å; F75-R174 HydrophobicContact CZ-CB 4.04Å; F75-R174 HydrophobicContact CZ-CG 4.23Å
76	P	96	Very high	94.6	Very high	57 Å²	57	50.8 Å²	50.8	37%	0.37	27%	0.265	S	S	.	.			trans	-53.5	146.3	164.2	-24.4	34.9	0	0	0	111.2	L78 E79 L80	P76-L78 PolarHBondContact O-N 2.95Å; P76-L78 VanDerWaalsContact O-N 3.16Å; P76-E79 HydrophobicContact CG-CG 4.5Å; P76-E79 PolarHBondContact O-N 2.96Å; P76-L80 WeakPolarHBondContact O-CB 3.23Å; P76-L80 PolarHBondContact O-N 3.15Å
77	L	96.6	Very high	94.8	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.01	26%	0.255	C	S	.	.	H	α-helix	trans	-55.8	-39.6	-172.2	175.5	61.7	0	0	0	112.4	K66 I69 E70 L80 Y81 E149 M152 V153	K66-L77 HydrophobicContact CB-CD2 4.12Å; K66-L77 HydrophobicContact CD-CB 4.47Å; K66-L77 HydrophobicContact CD-CD2 3.89Å; K66-L77 HydrophobicContact CG-CB 4.17Å; K66-L77 HydrophobicContact CG-CD2 3.88Å; I69-L77 HydrophobicContact CG2-CD1 3.8Å; E70-L77 HydrophobicContact CG-CB 4.1Å; E70-L77 WeakPolarHBondContact OE1-CB 3.21Å; E70-L77 PolarHBondContact OE1-N 3.48Å; L77-L80 PolarHBondContact O-N 3.5Å; L77-Y81 WeakPolarHBondContact O-CB 3.42Å; L77-Y81 PolarHBondContact O-N 2.85Å; L77-E149 HydrophobicContact CD2-CB 3.85Å; L77-E149 HydrophobicContact CD2-CG 4.48Å; L77-M152 HydrophobicContact CD1-CB 3.84Å; L77-M152 HydrophobicContact CD2-CB 4.15Å; L77-M152 HydrophobicContact CD2-SD 4.42Å; L77-M152 HydrophobicContact CG-CB 3.95Å; L77-M152 HydrophobicContact CG-SD 4.07Å; L77-V153 HydrophobicContact CD1-CG2 3.73Å; L77-V153 HydrophobicContact CD2-CG2 3.92Å
78	L	96.3	Very high	94.8	Very high	125 Å²	125	46 Å²	46	65%	0.654	24%	0.237	S	C	*	.	H	α-helix	trans	-66.4	-41.3	178.7	-173.9	66.3	0	0	0	112.6	P76 G82 M152	P76-L78 PolarHBondContact O-N 2.95Å; P76-L78 VanDerWaalsContact O-N 3.16Å; L78-G82 PolarHBondContact O-N 3.44Å; L78-M152 HydrophobicContact CD1-CE 3.68Å; L78-M152 HydrophobicContact CD1-SD 4.22Å
79	E	95.9	Very high	94.5	Very high	94 Å²	94	47.2 Å²	47.2	44%	0.439	24%	0.235	S	C	.	.	H	α-helix	trans	-65.9	-46.7	174.7	-72.4	178	-145.2	0	0	110.7	F75 P76 Y81 G82 L83 R177	F75-E79 HydrophobicContact CB-CB 4.5Å; F75-E79 HydrophobicContact CD1-CB 4.2Å; F75-E79 WeakPolarHBondContact CD1-OE2 3.37Å; P76-E79 HydrophobicContact CG-CG 4.5Å; P76-E79 PolarHBondContact O-N 2.96Å; E79-Y81 VanDerWaalsContact C-N 3.34Å; E79-Y81 PolarHBondContact O-N 2.94Å; E79-G82 PolarHBondContact O-N 2.94Å; E79-G82 VanDerWaalsContact O-N 3.15Å; E79-L83 WeakPolarHBondContact O-CG 3.46Å; E79-L83 PolarHBondContact O-N 2.99Å; E79-R177 IonicContact OE2-NH1 2.75Å; E79-R177 PolarHBondContact OE2-NH1 2.95Å
80	L	97.4	Very high	94.2	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-61.5	-41.9	179	-178.5	62.7	0	0	0	111.9	I69 W73 F75 P76 L77 L83 A84 V156 V170	I69-L80 HydrophobicContact CG1-CD2 4.05Å; I69-L80 HydrophobicContact CG2-CD2 4.25Å; W73-L80 HydrophobicContact CB-CD1 3.8Å; W73-L80 HydrophobicContact CB-CD2 3.94Å; W73-L80 HydrophobicContact CD2-CD1 4.34Å; W73-L80 HydrophobicContact CG-CD1 3.81Å; W73-L80 HydrophobicContact CG-CD2 3.82Å; W73-L80 HydrophobicContact CG-CG 4.49Å; F75-L80 HydrophobicContact CB-CB 3.94Å; P76-L80 WeakPolarHBondContact O-CB 3.23Å; P76-L80 PolarHBondContact O-N 3.15Å; L77-L80 PolarHBondContact O-N 3.5Å; L80-L83 PolarHBondContact O-N 3.48Å; L80-A84 WeakPolarHBondContact O-CB 3.12Å; L80-A84 PolarHBondContact O-N 2.92Å; L80-V156 HydrophobicContact CD1-CG1 4.48Å; L80-V156 HydrophobicContact CD2-CG1 3.97Å; L80-V156 HydrophobicContact CG-CG1 4.04Å; L80-V156 HydrophobicContact CG-CG2 4.18Å; L80-V170 HydrophobicContact CD1-CG1 3.84Å; L80-V170 HydrophobicContact CD1-CG2 4.19Å
81	Y	97.4	Very high	93.7	Very high	13 Å²	13	51.3 Å²	51.3	5%	0.051	26%	0.255	C	S	.	.	H	α-helix	trans	-64	-42	173	177	-99.7	0	0	0	111.6	L77 E79 L83 A84 L85 H110 V113 M152 F155	L77-Y81 WeakPolarHBondContact O-CB 3.42Å; L77-Y81 PolarHBondContact O-N 2.85Å; E79-Y81 VanDerWaalsContact C-N 3.34Å; E79-Y81 PolarHBondContact O-N 2.94Å; Y81-L83 PolarHBondContact O-N 3.28Å; Y81-A84 PolarHBondContact O-N 3.44Å; Y81-L85 HydrophobicContact CE1-CD2 3.94Å; Y81-L85 WeakPolarHBondContact O-CB 3.43Å; Y81-L85 PolarHBondContact O-N 3.36Å; Y81-H110 PolarHBondContact OH-ND1 2.93Å; Y81-V113 HydrophobicContact CD1-CG1 4.39Å; Y81-V113 HydrophobicContact CE1-CB 4.44Å; Y81-V113 HydrophobicContact CE1-CG1 3.65Å; Y81-V113 HydrophobicContact CE2-CG1 4.42Å; Y81-V113 HydrophobicContact CE2-CG2 4.04Å; Y81-M152 HydrophobicContact CD1-CE 4.42Å; Y81-M152 HydrophobicContact CD1-CG 4.09Å; Y81-M152 HydrophobicContact CD1-SD 4.25Å; Y81-M152 HydrophobicContact CD2-CB 3.77Å; Y81-M152 HydrophobicContact CD2-CG 3.63Å; Y81-M152 HydrophobicContact CE2-CB 4.44Å; Y81-M152 HydrophobicContact CE2-CG 4.08Å; Y81-M152 HydrophobicContact CG-CB 4.05Å; Y81-M152 HydrophobicContact CG-CG 3.63Å; Y81-M152 HydrophobicContact CG-SD 4.04Å; Y81-F155 HydrophobicContact CD2-CB 4.27Å; Y81-F155 AromaticContact CD2-CD1 3.83Å; Y81-F155 HydrophobicContact CD2-CD1 3.83Å; Y81-F155 HydrophobicContact CD2-CG 4.2Å; Y81-F155 HydrophobicContact CE2-CB 3.93Å; Y81-F155 AromaticContact CE2-CD1 3.66Å; Y81-F155 HydrophobicContact CE2-CD1 3.66Å; Y81-F155 HydrophobicContact CE2-CD2 4.27Å; Y81-F155 HydrophobicContact CE2-CE1 4.22Å; Y81-F155 AromaticContact CE2-CG 3.7Å; Y81-F155 HydrophobicContact CE2-CG 3.7Å
82	G	95.8	Very high	93.1	Very high	37 Å²	37	43.6 Å²	43.6	38%	0.381	23%	0.227	S	C	.	.	H	α-helix	trans	-59.1	-44.7	173	0	0	0	0	0	112.8	L78 E79 L85 K86	L78-G82 PolarHBondContact O-N 3.44Å; E79-G82 PolarHBondContact O-N 2.94Å; E79-G82 VanDerWaalsContact O-N 3.15Å; G82-L85 PolarHBondContact O-N 3.5Å; G82-K86 WeakPolarHBondContact O-CB 3.44Å; G82-K86 PolarHBondContact O-N 3.46Å
83	L	96.4	Very high	92	Very high	25 Å²	25	38.7 Å²	38.7	13%	0.131	22%	0.215	C	C	.	.	H	α-helix	trans	-63.5	-43.3	174.8	-71.9	175.8	0	0	0	112.2	F75 E79 L80 Y81 F87 Y169 H173	F75-L83 HydrophobicContact CD1-CD1 4.07Å; F75-L83 HydrophobicContact CD2-CD1 4.4Å; F75-L83 HydrophobicContact CE1-CD1 3.78Å; F75-L83 HydrophobicContact CE2-CD1 4.11Å; F75-L83 HydrophobicContact CG-CD1 4.38Å; F75-L83 HydrophobicContact CZ-CD1 3.8Å; E79-L83 WeakPolarHBondContact O-CG 3.46Å; E79-L83 PolarHBondContact O-N 2.99Å; L80-L83 PolarHBondContact O-N 3.48Å; Y81-L83 PolarHBondContact O-N 3.28Å; L83-F87 WeakPolarHBondContact O-CB 3.41Å; L83-F87 PolarHBondContact O-N 2.95Å; L83-Y169 HydrophobicContact CB-CE1 4.24Å; L83-Y169 HydrophobicContact CD2-CE1 4.43Å; L83-H173 HydrophobicContact CD1-CB 4.23Å
84	A	96.2	Very high	91.2	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-61.1	-48.3	174.9	0	0	0	0	0	111.9	L80 Y81 K86 F87 F88 F155 V156 L159 F166	L80-A84 WeakPolarHBondContact O-CB 3.12Å; L80-A84 PolarHBondContact O-N 2.92Å; Y81-A84 PolarHBondContact O-N 3.44Å; A84-K86 VanDerWaalsContact C-N 3.35Å; A84-K86 PolarHBondContact O-N 2.88Å; A84-F87 PolarHBondContact O-N 3.37Å; A84-F88 WeakPolarHBondContact O-CB 3.38Å; A84-F88 PolarHBondContact O-N 3.4Å; A84-F155 HydrophobicContact CB-CD1 4.08Å; A84-F155 HydrophobicContact CB-CE1 3.83Å; A84-V156 HydrophobicContact CB-CG2 3.9Å; A84-L159 HydrophobicContact CB-CD2 3.6Å; A84-L159 WeakPolarHBondContact O-CD2 3.45Å; A84-F166 HydrophobicContact CB-CE2 3.92Å; A84-F166 HydrophobicContact CB-CZ 3.67Å
85	L	94.6	Very high	90.1	Very high	22 Å²	22	45.3 Å²	45.3	12%	0.115	24%	0.244	C	C	.	.	H	α-helix	trans	-65.7	-37.9	-178.7	-175.4	60.4	0	0	0	112	Y81 G82 K89 F155	Y81-L85 HydrophobicContact CE1-CD2 3.94Å; Y81-L85 WeakPolarHBondContact O-CB 3.43Å; Y81-L85 PolarHBondContact O-N 3.36Å; G82-L85 PolarHBondContact O-N 3.5Å; L85-K89 HydrophobicContact CD1-CD 4.3Å; L85-K89 HydrophobicContact CG-CD 4.17Å; L85-K89 WeakPolarHBondContact O-CB 3.36Å; L85-K89 WeakPolarHBondContact O-CD 3.23Å; L85-K89 VanDerWaalsContact O-CG 3.23Å; L85-K89 WeakPolarHBondContact O-CG 3.43Å; L85-K89 PolarHBondContact O-N 3.34Å; L85-K89 VanDerWaalsContact O-N 3.11Å; L85-F155 HydrophobicContact CB-CE1 4.34Å; L85-F155 HydrophobicContact CB-CZ 4.45Å; L85-F155 HydrophobicContact CD1-CE1 4.49Å; L85-F155 HydrophobicContact CD1-CE2 4.38Å; L85-F155 HydrophobicContact CD1-CZ 3.81Å
86	K	92.3	Very high	89.3	Confident	108 Å²	108	45.3 Å²	45.3	47%	0.47	24%	0.244	S	C	.	.	H	α-helix	trans	-63.8	-50.9	171	-178.6	179.4	175.9	-171.7	0	111.3	G82 A84 F88 K89 D90	G82-K86 WeakPolarHBondContact O-CB 3.44Å; G82-K86 PolarHBondContact O-N 3.46Å; A84-K86 VanDerWaalsContact C-N 3.35Å; A84-K86 PolarHBondContact O-N 2.88Å; K86-F88 VanDerWaalsContact C-N 3.31Å; K86-F88 PolarHBondContact O-N 3.31Å; K86-K89 PolarHBondContact O-N 2.92Å; K86-D90 WeakPolarHBondContact O-CB 3.39Å; K86-D90 PolarHBondContact O-N 3.48Å
87	F	94.1	Very high	88.5	Confident	6 Å²	6	49.7 Å²	49.7	3%	0.026	26%	0.26	C	S	.	.	H	α-helix	trans	-56.2	-45.7	178.4	-178.2	-87.3	0	0	0	111.9	L83 A84 D90 K91 F96 L159 C163 L165 F166 Y169	L83-F87 WeakPolarHBondContact O-CB 3.41Å; L83-F87 PolarHBondContact O-N 2.95Å; A84-F87 PolarHBondContact O-N 3.37Å; F87-D90 PolarHBondContact O-N 2.82Å; F87-K91 HydrophobicContact CD1-CB 4.38Å; F87-K91 HydrophobicContact CD1-CG 4.31Å; F87-K91 HydrophobicContact CD2-CG 3.94Å; F87-K91 HydrophobicContact CE1-CB 4.17Å; F87-K91 HydrophobicContact CE1-CG 4.22Å; F87-K91 HydrophobicContact CE2-CG 3.87Å; F87-K91 HydrophobicContact CG-CG 4.17Å; F87-K91 HydrophobicContact CZ-CB 4.31Å; F87-K91 HydrophobicContact CZ-CG 4.01Å; F87-K91 WeakPolarHBondContact O-CB 3.29Å; F87-K91 VanDerWaalsContact O-CG 3.24Å; F87-K91 WeakPolarHBondContact O-CG 3.47Å; F87-K91 PolarHBondContact O-N 3.01Å; F87-F96 HydrophobicContact CD1-CE1 4.27Å; F87-F96 HydrophobicContact CE1-CD1 4.18Å; F87-F96 AromaticContact CE1-CE1 3.86Å; F87-F96 HydrophobicContact CE1-CE1 3.86Å; F87-L159 HydrophobicContact CD1-CD1 4.28Å; F87-L159 HydrophobicContact CD1-CD2 4.13Å; F87-L159 HydrophobicContact CD1-CG 4.41Å; F87-C163 HydrophobicContact CE1-CB 3.93Å; F87-C163 HydrophobicContact CZ-CB 4.41Å; F87-C163 VanDerWaalsContact CZ-SG 3.59Å; F87-L165 HydrophobicContact CZ-CB 4.12Å; F87-F166 HydrophobicContact CB-CD2 4Å; F87-F166 HydrophobicContact CB-CE2 4.25Å; F87-F166 HydrophobicContact CD1-CB 4.24Å; F87-F166 AromaticContact CD1-CD2 3.84Å; F87-F166 HydrophobicContact CD1-CD2 3.84Å; F87-F166 HydrophobicContact CD1-CG 4.44Å; F87-F166 HydrophobicContact CD2-CD2 4.19Å; F87-F166 HydrophobicContact CE1-CB 3.92Å; F87-F166 HydrophobicContact CE1-CD2 4.35Å; F87-F166 AromaticContact CG-CD2 3.75Å; F87-F166 HydrophobicContact CG-CD2 3.75Å; F87-F166 HydrophobicContact CG-CE2 4.48Å; F87-F166 HydrophobicContact CZ-CB 4.09Å; F87-Y169 HydrophobicContact CB-CD1 4.11Å; F87-Y169 HydrophobicContact CB-CE1 3.8Å; F87-Y169 AromaticContact CD2-CD1 3.6Å; F87-Y169 HydrophobicContact CD2-CD1 3.6Å; F87-Y169 AromaticContact CD2-CD2 3.72Å; F87-Y169 HydrophobicContact CD2-CD2 3.72Å; F87-Y169 HydrophobicContact CD2-CE1 4.02Å; F87-Y169 HydrophobicContact CD2-CE2 4.08Å; F87-Y169 AromaticContact CD2-CG 3.45Å; F87-Y169 HydrophobicContact CD2-CG 3.45Å; F87-Y169 VanDerWaalsContact CD2-CG 3.45Å; F87-Y169 HydrophobicContact CE2-CD1 4.41Å; F87-Y169 HydrophobicContact CE2-CD2 4.25Å; F87-Y169 AromaticContact CE2-CG 3.93Å; F87-Y169 HydrophobicContact CE2-CG 3.93Å; F87-Y169 HydrophobicContact CG-CD1 4.19Å; F87-Y169 HydrophobicContact CG-CE1 4.35Å; F87-Y169 HydrophobicContact CG-CG 4.45Å
88	F	91.3	Very high	88	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-57.7	-53.8	176.2	-179.6	-147.5	0	0	0	111.6	A84 K86 D90 K91 D92 F96 L106 F155 L159 W529	A84-F88 WeakPolarHBondContact O-CB 3.38Å; A84-F88 PolarHBondContact O-N 3.4Å; K86-F88 VanDerWaalsContact C-N 3.31Å; K86-F88 PolarHBondContact O-N 3.31Å; F88-D90 VanDerWaalsContact C-N 3.28Å; F88-D90 PolarHBondContact O-N 3.37Å; F88-K91 PolarHBondContact O-N 3.19Å; F88-D92 HydrophobicContact CD2-CB 4.08Å; F88-D92 HydrophobicContact CE2-CB 4.18Å; F88-D92 WeakPolarHBondContact O-CB 3.23Å; F88-D92 PolarHBondContact O-N 3.31Å; F88-F96 AromaticContact CD2-CZ 3.9Å; F88-F96 HydrophobicContact CD2-CZ 3.9Å; F88-F96 HydrophobicContact CE2-CZ 4.49Å; F88-L106 HydrophobicContact CD2-CD1 4.33Å; F88-L106 HydrophobicContact CE1-CB 3.74Å; F88-L106 HydrophobicContact CE1-CD1 4.25Å; F88-L106 HydrophobicContact CE2-CD1 3.78Å; F88-L106 HydrophobicContact CZ-CB 3.68Å; F88-L106 HydrophobicContact CZ-CD1 3.71Å; F88-L106 HydrophobicContact CZ-CG 4.32Å; F88-F155 HydrophobicContact CB-CZ 4.32Å; F88-F155 AromaticContact CD1-CE2 4Å; F88-F155 HydrophobicContact CD1-CE2 4Å; F88-F155 AromaticContact CD1-CZ 3.64Å; F88-F155 HydrophobicContact CD1-CZ 3.64Å; F88-F155 HydrophobicContact CE1-CE2 4.16Å; F88-F155 HydrophobicContact CE1-CZ 4.27Å; F88-F155 HydrophobicContact CG-CZ 4.33Å; F88-L159 HydrophobicContact CB-CD1 4.02Å; F88-L159 HydrophobicContact CB-CD2 4.38Å; F88-L159 HydrophobicContact CD2-CD1 4.33Å; F88-L159 HydrophobicContact CG-CD1 4.39Å; F88-W529 HydrophobicContact CD1-CH2 4.11Å; F88-W529 HydrophobicContact CD1-CZ3 4.15Å; F88-W529 AromaticContact CE1-CH2 3.17Å; F88-W529 HydrophobicContact CE1-CH2 3.17Å; F88-W529 AromaticContact CE1-CZ2 3.89Å; F88-W529 HydrophobicContact CE1-CZ2 3.89Å; F88-W529 AromaticContact CE1-CZ3 3.65Å; F88-W529 HydrophobicContact CE1-CZ3 3.65Å; F88-W529 HydrophobicContact CE2-CH2 4.3Å; F88-W529 HydrophobicContact CE2-CZ2 4.35Å; F88-W529 AromaticContact CZ-CH2 3.29Å; F88-W529 HydrophobicContact CZ-CH2 3.29Å; F88-W529 AromaticContact CZ-CZ2 3.48Å; F88-W529 HydrophobicContact CZ-CZ2 3.48Å; F88-W529 VanDerWaalsContact CZ-CZ2 3.48Å; F88-W529 AromaticContact CZ-CZ3 3.94Å; F88-W529 HydrophobicContact CZ-CZ3 3.94Å
89	K	86.6	Confident	87.6	Confident	67 Å²	67	47.6 Å²	47.6	29%	0.291	25%	0.253	S	S	.	.	H	α-helix	trans	-58.9	-36.9	178.3	-72.1	166.8	-179.7	173.2	0	112.6	L85 K86 H110	L85-K89 HydrophobicContact CD1-CD 4.3Å; L85-K89 HydrophobicContact CG-CD 4.17Å; L85-K89 WeakPolarHBondContact O-CB 3.36Å; L85-K89 WeakPolarHBondContact O-CD 3.23Å; L85-K89 VanDerWaalsContact O-CG 3.23Å; L85-K89 WeakPolarHBondContact O-CG 3.43Å; L85-K89 PolarHBondContact O-N 3.34Å; L85-K89 VanDerWaalsContact O-N 3.11Å; K86-K89 PolarHBondContact O-N 2.92Å; K89-H110 PolarHBondContact NZ-NE2 3.47Å
90	D	87	Confident	87.2	Confident	70 Å²	70	48.3 Å²	48.3	37%	0.374	25%	0.252	S	S	.	.	H	α-helix	trans	-80.6	-29.7	-178.3	-77	-16.8	0	0	0	114	K86 F87 F88 K94	K86-D90 WeakPolarHBondContact O-CB 3.39Å; K86-D90 PolarHBondContact O-N 3.48Å; F87-D90 PolarHBondContact O-N 2.82Å; F88-D90 VanDerWaalsContact C-N 3.28Å; F88-D90 PolarHBondContact O-N 3.37Å; D90-K94 WeakPolarHBondContact O-CD 3.19Å; D90-K94 WeakPolarHBondContact O-CE 3.3Å; D90-K94 PolarHBondContact O-NZ 3.38Å
91	K	84.4	Confident	86.9	Confident	80 Å²	80	55.5 Å²	55.5	35%	0.348	29%	0.286	S	S	.	.	H	α-helix	trans	-117.8	-14.5	-165.5	-55.8	-59.1	179.5	-178.6	0	115.4	F87 F88 G93 K94 A95 F96	F87-K91 HydrophobicContact CD1-CB 4.38Å; F87-K91 HydrophobicContact CD1-CG 4.31Å; F87-K91 HydrophobicContact CD2-CG 3.94Å; F87-K91 HydrophobicContact CE1-CB 4.17Å; F87-K91 HydrophobicContact CE1-CG 4.22Å; F87-K91 HydrophobicContact CE2-CG 3.87Å; F87-K91 HydrophobicContact CG-CG 4.17Å; F87-K91 HydrophobicContact CZ-CB 4.31Å; F87-K91 HydrophobicContact CZ-CG 4.01Å; F87-K91 WeakPolarHBondContact O-CB 3.29Å; F87-K91 VanDerWaalsContact O-CG 3.24Å; F87-K91 WeakPolarHBondContact O-CG 3.47Å; F87-K91 PolarHBondContact O-N 3.01Å; F88-K91 PolarHBondContact O-N 3.19Å; K91-G93 PolarHBondContact O-N 3.46Å; K91-K94 PolarHBondContact O-N 3.44Å; K91-A95 HydrophobicContact CB-CB 4.12Å; K91-A95 HydrophobicContact CD-CB 4.25Å; K91-A95 PolarHBondContact O-N 2.88Å; K91-F96 HydrophobicContact CB-CD1 4.11Å; K91-F96 HydrophobicContact CB-CE1 4.02Å
92	D	80.9	Confident	86.7	Confident	12 Å²	12	57 Å²	57	6%	0.064	29%	0.293	C	S	.	.	B	Isolated β-bridge	trans	-54.9	129.7	172.8	176.9	52.1	0	0	0	111.5	F88 K94 K103	F88-D92 HydrophobicContact CD2-CB 4.08Å; F88-D92 HydrophobicContact CE2-CB 4.18Å; F88-D92 WeakPolarHBondContact O-CB 3.23Å; F88-D92 PolarHBondContact O-N 3.31Å; D92-K94 PolarHBondContact O-N 2.88Å; D92-K103 VanDerWaalsContact OD1-CE 3.28Å; D92-K103 WeakPolarHBondContact OD1-CE 3.39Å; D92-K103 IonicContact OD1-NZ 2.85Å; D92-K103 PolarHBondContact OD1-NZ 3.38Å; D92-K103 IonicContact OD2-NZ 3.29Å; D92-K103 PolarHBondContact OD2-NZ 3.17Å
93	G	71.2	Confident	86.3	Confident	34 Å²	34	57 Å²	57	35%	0.351	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.4	19.6	-177.6	0	0	0	0	0	114.3	K91 F96	K91-G93 PolarHBondContact O-N 3.46Å; G93-F96 PolarHBondContact N-O 3.29Å; G93-F96 VanDerWaalsContact N-O 3.08Å
94	K	77.3	Confident	86.1	Confident	140 Å²	140	56.5 Å²	56.5	61%	0.609	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131	-53.5	175.3	-57.1	-179	-156.3	156	0	112.4	D90 K91 D92	D90-K94 WeakPolarHBondContact O-CD 3.19Å; D90-K94 WeakPolarHBondContact O-CE 3.3Å; D90-K94 PolarHBondContact O-NZ 3.38Å; K91-K94 PolarHBondContact O-N 3.44Å; D92-K94 PolarHBondContact O-N 2.88Å
95	A	69.7	Low	86.1	Confident	48 Å²	48	60.1 Å²	60.1	40%	0.397	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.1	-17.9	-176.8	0	0	0	0	0	113.1	K91 L165	K91-A95 HydrophobicContact CB-CB 4.12Å; K91-A95 HydrophobicContact CD-CB 4.25Å; K91-A95 PolarHBondContact O-N 2.88Å; A95-L165 HydrophobicContact CB-CD1 4.31Å
96	F	77.8	Confident	86.1	Confident	11 Å²	11	59.1 Å²	59.1	5%	0.048	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-148.5	161.5	167.3	75.6	-70.5	0	0	0	110.8	F87 F88 K91 G93 P98 L159 C162 C163	F87-F96 HydrophobicContact CD1-CE1 4.27Å; F87-F96 HydrophobicContact CE1-CD1 4.18Å; F87-F96 AromaticContact CE1-CE1 3.86Å; F87-F96 HydrophobicContact CE1-CE1 3.86Å; F88-F96 AromaticContact CD2-CZ 3.9Å; F88-F96 HydrophobicContact CD2-CZ 3.9Å; F88-F96 HydrophobicContact CE2-CZ 4.49Å; K91-F96 HydrophobicContact CB-CD1 4.11Å; K91-F96 HydrophobicContact CB-CE1 4.02Å; G93-F96 PolarHBondContact N-O 3.29Å; G93-F96 VanDerWaalsContact N-O 3.08Å; F96-P98 HydrophobicContact CD2-CB 4.38Å; F96-P98 HydrophobicContact CD2-CG 4.26Å; F96-P98 HydrophobicContact CE2-CB 4.12Å; F96-P98 HydrophobicContact CE2-CG 3.88Å; F96-L159 HydrophobicContact CE1-CD1 4.24Å; F96-L159 HydrophobicContact CE2-CD1 4.01Å; F96-L159 HydrophobicContact CZ-CD1 3.42Å; F96-L159 VanDerWaalsContact CZ-CD1 3.42Å; F96-C162 HydrophobicContact CD2-CB 3.95Å; F96-C162 WeakPolarHBondContact CD2-O 3.16Å; F96-C162 HydrophobicContact CE2-CB 3.79Å; F96-C163 HydrophobicContact CB-CB 3.95Å; F96-C163 HydrophobicContact CD1-CB 3.83Å; F96-C163 HydrophobicContact CD2-CB 3.75Å; F96-C163 HydrophobicContact CE1-CB 4.24Å; F96-C163 HydrophobicContact CE2-CB 4.16Å; F96-C163 HydrophobicContact CG-CB 3.58Å; F96-C163 HydrophobicContact CZ-CB 4.39Å
97	H	80.1	Confident	86.1	Confident	149 Å²	149	54.8 Å²	54.8	69%	0.69	27%	0.271	S	S	*	.			trans	-132.3	86	-176.2	-60.4	92.9	0	0	0	107.6
98	P	85.3	Confident	86.1	Confident	16 Å²	16	54.5 Å²	54.5	10%	0.104	27%	0.27	C	S	.	.			trans	-63.7	153.8	175.4	29.1	-32.9	0	0	0	109.5	F96 E102 K103 C162	F96-P98 HydrophobicContact CD2-CB 4.38Å; F96-P98 HydrophobicContact CD2-CG 4.26Å; F96-P98 HydrophobicContact CE2-CB 4.12Å; F96-P98 HydrophobicContact CE2-CG 3.88Å; P98-E102 WeakPolarHBondContact CA-OE2 3.13Å; P98-E102 HydrophobicContact CB-CB 3.99Å; P98-K103 HydrophobicContact CG-CB 4.34Å; P98-C162 HydrophobicContact CB-CB 4.24Å
99	T	88.6	Confident	86.4	Confident	68 Å²	68	54.6 Å²	54.6	42%	0.417	27%	0.27	S	S	.	.			trans	-63	166	175.6	77.4	0	0	0	0	111	E101 E102 K103	T99-E101 VanDerWaalsContact C-N 3.26Å; T99-E101 PolarHBondContact O-N 2.91Å; T99-E101 PolarHBondContact OG1-N 3.39Å; T99-E102 HydrophobicContact CG2-CG 4.42Å; T99-E102 PolarHBondContact N-OE2 2.97Å; T99-E102 PolarHBondContact O-N 2.94Å; T99-E102 WeakPolarHBondContact OG1-CG 3.19Å; T99-E102 PolarHBondContact OG1-N 2.87Å; T99-K103 WeakPolarHBondContact O-CB 3.41Å; T99-K103 PolarHBondContact O-N 2.94Å
100	Y	86.8	Confident	86.7	Confident	108 Å²	108	52.8 Å²	52.8	42%	0.424	26%	0.263	S	S	.	.	H	α-helix	trans	-55.8	-44.3	174	177.3	-109.8	0	0	0	111.4	K103 L104 L132 D135	Y100-K103 PolarHBondContact O-N 3.35Å; Y100-L104 WeakPolarHBondContact O-CB 3.34Å; Y100-L104 PolarHBondContact O-N 2.87Å; Y100-L132 HydrophobicContact CE2-CD2 3.93Å; Y100-L132 WeakPolarHBondContact OH-CD2 3.38Å; Y100-D135 WeakPolarHBondContact CE1-OD2 3.39Å; Y100-D135 WeakPolarHBondContact OH-CB 3.34Å; Y100-D135 PolarHBondContact OH-OD2 3.47Å
101	E	91.4	Very high	86.9	Confident	152 Å²	152	53 Å²	53	71%	0.71	26%	0.26	S	S	*	.	H	α-helix	trans	-64.8	-46.9	178.1	-61.4	167.1	176.8	0	0	112.1	T99 K103 L104 R105	T99-E101 VanDerWaalsContact C-N 3.26Å; T99-E101 PolarHBondContact O-N 2.91Å; T99-E101 PolarHBondContact OG1-N 3.39Å; E101-K103 VanDerWaalsContact C-N 3.3Å; E101-K103 PolarHBondContact O-N 3.42Å; E101-L104 WeakPolarHBondContact O-CB 3.29Å; E101-L104 PolarHBondContact O-N 2.89Å; E101-R105 WeakPolarHBondContact O-CB 3.38Å; E101-R105 PolarHBondContact O-N 3.32Å
102	E	92.3	Very high	87.4	Confident	43 Å²	43	49.2 Å²	49.2	20%	0.201	24%	0.244	C	C	.	.	H	α-helix	trans	-61.9	-39.9	176.8	-70.5	176.8	152.7	0	0	111.6	P98 T99 R105 L106 L158 C162	P98-E102 WeakPolarHBondContact CA-OE2 3.13Å; P98-E102 HydrophobicContact CB-CB 3.99Å; T99-E102 HydrophobicContact CG2-CG 4.42Å; T99-E102 PolarHBondContact N-OE2 2.97Å; T99-E102 PolarHBondContact O-N 2.94Å; T99-E102 WeakPolarHBondContact OG1-CG 3.19Å; T99-E102 PolarHBondContact OG1-N 2.87Å; E102-R105 PolarHBondContact O-N 3.46Å; E102-L106 WeakPolarHBondContact O-CB 3.38Å; E102-L106 VanDerWaalsContact O-CG 3.3Å; E102-L106 WeakPolarHBondContact O-CG 3.22Å; E102-L106 PolarHBondContact O-N 3.5Å; E102-L158 HydrophobicContact CG-CD1 4.3Å; E102-C162 PolarHBondContact OE2-SG 2.89Å
103	K	88.3	Confident	88	Confident	39 Å²	39	49 Å²	49	17%	0.17	24%	0.243	C	C	.	.	H	α-helix	trans	-65.3	-41.6	174.4	171	159.5	-77.5	-171.6	0	112.1	D92 P98 T99 Y100 E101 L106 V107 L528 W529	D92-K103 VanDerWaalsContact OD1-CE 3.28Å; D92-K103 WeakPolarHBondContact OD1-CE 3.39Å; D92-K103 IonicContact OD1-NZ 2.85Å; D92-K103 PolarHBondContact OD1-NZ 3.38Å; D92-K103 IonicContact OD2-NZ 3.29Å; D92-K103 PolarHBondContact OD2-NZ 3.17Å; P98-K103 HydrophobicContact CG-CB 4.34Å; T99-K103 WeakPolarHBondContact O-CB 3.41Å; T99-K103 PolarHBondContact O-N 2.94Å; Y100-K103 PolarHBondContact O-N 3.35Å; E101-K103 VanDerWaalsContact C-N 3.3Å; E101-K103 PolarHBondContact O-N 3.42Å; K103-L106 PolarHBondContact O-N 2.91Å; K103-V107 WeakPolarHBondContact O-CG2 3.45Å; K103-V107 PolarHBondContact O-N 3Å; K103-L528 HydrophobicContact CG-CD1 4.48Å; K103-W529 HydrophobicContact CD-CZ2 4.43Å; K103-W529 VanDerWaalsContact CD-NE1 3.32Å; K103-W529 VanDerWaalsContact CE-NE1 3.31Å; K103-W529 HydrophobicContact CG-CZ2 4.1Å
104	L	91.8	Very high	89	Confident	14 Å²	14	52.6 Å²	52.6	7%	0.073	25%	0.253	C	S	.	.	H	α-helix	trans	-61.5	-46.2	176	-157.8	72.7	0	0	0	110.3	Y100 E101 V107 A108 D135 R136 E139	Y100-L104 WeakPolarHBondContact O-CB 3.34Å; Y100-L104 PolarHBondContact O-N 2.87Å; E101-L104 WeakPolarHBondContact O-CB 3.29Å; E101-L104 PolarHBondContact O-N 2.89Å; L104-V107 WeakPolarHBondContact O-CB 3.33Å; L104-V107 PolarHBondContact O-N 3Å; L104-A108 PolarHBondContact O-N 3.41Å; L104-D135 HydrophobicContact CD1-CB 4.1Å; L104-D135 HydrophobicContact CD2-CB 4.02Å; L104-R136 HydrophobicContact CD1-CB 4.37Å; L104-R136 HydrophobicContact CD1-CG 3.63Å; L104-E139 HydrophobicContact CB-CG 4.27Å; L104-E139 HydrophobicContact CD2-CB 3.65Å; L104-E139 HydrophobicContact CD2-CG 3.98Å; L104-E139 HydrophobicContact CG-CB 3.67Å; L104-E139 HydrophobicContact CG-CG 3.85Å
105	R	95.7	Very high	89.6	Confident	76 Å²	76	50.1 Å²	50.1	29%	0.287	25%	0.247	S	C	.	.	H	α-helix	trans	-63	-43.8	176.7	-167.6	72.7	179	-178.7	2.3	112.4	E101 E102 V107 A108 L109 E139 S142 L158	E101-R105 WeakPolarHBondContact O-CB 3.38Å; E101-R105 PolarHBondContact O-N 3.32Å; E102-R105 PolarHBondContact O-N 3.46Å; R105-V107 VanDerWaalsContact C-N 3.29Å; R105-V107 PolarHBondContact O-N 3.28Å; R105-A108 PolarHBondContact O-N 2.95Å; R105-L109 HydrophobicContact CG-CD1 3.97Å; R105-L109 HydrophobicContact CG-CG 4.49Å; R105-L109 WeakPolarHBondContact O-CB 3.44Å; R105-L109 WeakPolarHBondContact O-CD1 3.43Å; R105-L109 VanDerWaalsContact O-CG 3.24Å; R105-L109 WeakPolarHBondContact O-CG 3.33Å; R105-L109 PolarHBondContact O-N 3.37Å; R105-E139 WeakPolarHBondContact CD-OE1 3.45Å; R105-E139 IonicContact CZ-OE1 3.61Å; R105-E139 IonicContact NE-OE1 3.7Å; R105-E139 IonicContact NH1-OE1 2.72Å; R105-E139 PolarHBondContact NH1-OE1 2.93Å; R105-S142 PolarHBondContact NH1-OG 3.36Å; R105-L158 HydrophobicContact CB-CD2 3.74Å; R105-L158 HydrophobicContact CG-CD2 3.61Å
106	L	94.7	Very high	90.5	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-62.1	-34.7	175.1	-74.5	169.3	0	0	0	112.4	F88 E102 K103 H110 F155 L158 L159	F88-L106 HydrophobicContact CD2-CD1 4.33Å; F88-L106 HydrophobicContact CE1-CB 3.74Å; F88-L106 HydrophobicContact CE1-CD1 4.25Å; F88-L106 HydrophobicContact CE2-CD1 3.78Å; F88-L106 HydrophobicContact CZ-CB 3.68Å; F88-L106 HydrophobicContact CZ-CD1 3.71Å; F88-L106 HydrophobicContact CZ-CG 4.32Å; E102-L106 WeakPolarHBondContact O-CB 3.38Å; E102-L106 VanDerWaalsContact O-CG 3.3Å; E102-L106 WeakPolarHBondContact O-CG 3.22Å; E102-L106 PolarHBondContact O-N 3.5Å; K103-L106 PolarHBondContact O-N 2.91Å; L106-H110 WeakPolarHBondContact O-CB 3.45Å; L106-H110 PolarHBondContact O-N 3.43Å; L106-F155 HydrophobicContact CB-CD2 4.43Å; L106-F155 HydrophobicContact CB-CE2 4.13Å; L106-F155 HydrophobicContact CD2-CD2 3.66Å; L106-F155 HydrophobicContact CD2-CE2 3.75Å; L106-F155 HydrophobicContact CD2-CG 4.12Å; L106-F155 HydrophobicContact CD2-CZ 4.27Å; L106-F155 WeakPolarHBondContact O-CD2 3.48Å; L106-F155 WeakPolarHBondContact O-CE2 3.31Å; L106-L158 HydrophobicContact CD2-CB 4.1Å; L106-L158 HydrophobicContact CD2-CD2 3.9Å; L106-L158 HydrophobicContact CD2-CG 3.94Å; L106-L158 HydrophobicContact CG-CD2 3.77Å; L106-L158 HydrophobicContact CG-CG 4.06Å; L106-L159 HydrophobicContact CD2-CB 4.37Å
107	V	92.2	Very high	91.3	Very high	17 Å²	17	51.3 Å²	51.3	10%	0.103	26%	0.255	C	S	.	.	H	α-helix	trans	-69.7	-47.6	173.5	170.9	0	0	0	0	111.4	K103 L104 R105 L109 H110 K111 L528 W529	K103-V107 WeakPolarHBondContact O-CG2 3.45Å; K103-V107 PolarHBondContact O-N 3Å; L104-V107 WeakPolarHBondContact O-CB 3.33Å; L104-V107 PolarHBondContact O-N 3Å; R105-V107 VanDerWaalsContact C-N 3.29Å; R105-V107 PolarHBondContact O-N 3.28Å; V107-L109 VanDerWaalsContact C-N 3.34Å; V107-L109 PolarHBondContact O-N 2.93Å; V107-H110 PolarHBondContact O-N 3.24Å; V107-H110 VanDerWaalsContact O-N 3.16Å; V107-K111 PolarHBondContact O-N 2.95Å; V107-L528 HydrophobicContact CB-CD2 4.33Å; V107-L528 HydrophobicContact CG1-CD2 3.74Å; V107-L528 HydrophobicContact CG2-CD1 3.99Å; V107-L528 HydrophobicContact CG2-CD2 3.65Å; V107-L528 HydrophobicContact CG2-CG 4.32Å; V107-W529 HydrophobicContact CG2-CH2 3.57Å; V107-W529 HydrophobicContact CG2-CZ2 3.37Å
108	A	94.4	Very high	91.7	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.008	23%	0.232	C	C	.	.	H	α-helix	trans	-57.1	-48	178	0	0	0	0	0	111.2	L104 R105 H110 K111 Q112 E139 W140 L143	L104-A108 PolarHBondContact O-N 3.41Å; R105-A108 PolarHBondContact O-N 2.95Å; A108-H110 VanDerWaalsContact C-N 3.34Å; A108-H110 PolarHBondContact O-N 3.32Å; A108-K111 PolarHBondContact O-N 3.41Å; A108-K111 VanDerWaalsContact O-N 3.17Å; A108-Q112 PolarHBondContact O-N 2.95Å; A108-E139 HydrophobicContact CB-CB 4.24Å; A108-E139 HydrophobicContact CB-CG 3.79Å; A108-W140 HydrophobicContact CB-CB 4.17Å; A108-L143 VanDerWaalsContact C-CD1 3.42Å; A108-L143 HydrophobicContact CB-CD1 3.86Å; A108-L143 HydrophobicContact CB-CG 4.37Å; A108-L143 WeakPolarHBondContact O-CD1 3.33Å
109	L	97.1	Very high	91.7	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.01	25%	0.246	C	C	.	.	H	α-helix	trans	-63.1	-37.9	176.2	-68.3	165.9	0	0	0	112	R105 V107 Q112 V113 L143 M146 A151 E154 F155 L158	R105-L109 HydrophobicContact CG-CD1 3.97Å; R105-L109 HydrophobicContact CG-CG 4.49Å; R105-L109 WeakPolarHBondContact O-CB 3.44Å; R105-L109 WeakPolarHBondContact O-CD1 3.43Å; R105-L109 VanDerWaalsContact O-CG 3.24Å; R105-L109 WeakPolarHBondContact O-CG 3.33Å; R105-L109 PolarHBondContact O-N 3.37Å; V107-L109 VanDerWaalsContact C-N 3.34Å; V107-L109 PolarHBondContact O-N 2.93Å; L109-Q112 PolarHBondContact O-N 2.67Å; L109-V113 WeakPolarHBondContact O-CG2 3.27Å; L109-V113 PolarHBondContact O-N 3.14Å; L109-V113 VanDerWaalsContact O-N 3.11Å; L109-L143 HydrophobicContact CD2-CD1 4.07Å; L109-L143 HydrophobicContact CD2-CD2 4.07Å; L109-L143 HydrophobicContact CG-CD1 4.38Å; L109-M146 HydrophobicContact CD2-SD 3.6Å; L109-M146 VanDerWaalsContact CD2-SD 3.6Å; L109-A151 HydrophobicContact CD2-CB 4.23Å; L109-E154 HydrophobicContact CD1-CB 4.09Å; L109-E154 HydrophobicContact CD2-CB 3.99Å; L109-F155 HydrophobicContact CB-CB 4.15Å; L109-F155 HydrophobicContact CB-CD2 4.17Å; L109-F155 HydrophobicContact CD1-CB 4.41Å; L109-L158 HydrophobicContact CD1-CD2 4.3Å
110	H	94.6	Very high	91.3	Very high	28 Å²	28	49.9 Å²	49.9	13%	0.13	25%	0.25	C	S	.	.	H	α-helix	trans	-64.4	-41.1	173.2	-173.4	14.4	0	0	0	112.1	Y81 K89 L106 V107 A108 V113 L114 F155	Y81-H110 PolarHBondContact OH-ND1 2.93Å; K89-H110 PolarHBondContact NZ-NE2 3.47Å; L106-H110 WeakPolarHBondContact O-CB 3.45Å; L106-H110 PolarHBondContact O-N 3.43Å; V107-H110 PolarHBondContact O-N 3.24Å; V107-H110 VanDerWaalsContact O-N 3.16Å; A108-H110 VanDerWaalsContact C-N 3.34Å; A108-H110 PolarHBondContact O-N 3.32Å; H110-V113 PolarHBondContact O-N 2.75Å; H110-L114 VanDerWaalsContact CE1-CD1 3.48Å; H110-L114 WeakPolarHBondContact CE1-CD1 3.28Å; H110-L114 WeakPolarHBondContact O-CG 3.34Å; H110-L114 PolarHBondContact O-N 3.27Å; H110-F155 HydrophobicContact CB-CE2 4.33Å
111	K	89.9	Confident	90.9	Very high	75 Å²	75	51.9 Å²	51.9	33%	0.326	27%	0.268	S	S	.	.	H	α-helix	trans	-63.6	-44.8	174.1	-82.3	-149.3	165.4	-149.5	0	112	V107 A108 V113 L114 L115 W140	V107-K111 PolarHBondContact O-N 2.95Å; A108-K111 PolarHBondContact O-N 3.41Å; A108-K111 VanDerWaalsContact O-N 3.17Å; K111-V113 VanDerWaalsContact C-N 3.26Å; K111-V113 PolarHBondContact O-N 3.49Å; K111-L114 PolarHBondContact O-N 3.46Å; K111-L115 HydrophobicContact CD-CD1 4.42Å; K111-L115 PolarHBondContact O-N 2.95Å; K111-W140 HydrophobicContact CB-CD2 3.79Å; K111-W140 HydrophobicContact CB-CE3 4.24Å; K111-W140 HydrophobicContact CB-CG 4.11Å; K111-W140 HydrophobicContact CB-CZ2 4.29Å; K111-W140 HydrophobicContact CD-CD2 3.74Å; K111-W140 HydrophobicContact CD-CE3 3.28Å; K111-W140 HydrophobicContact CD-CH2 4.1Å; K111-W140 HydrophobicContact CD-CZ2 4.45Å; K111-W140 HydrophobicContact CD-CZ3 3.51Å; K111-W140 HydrophobicContact CG-CD2 4.42Å; K111-W140 HydrophobicContact CG-CE3 4.39Å
112	Q	94.9	Very high	89.8	Confident	1 Å²	1	47.8 Å²	47.8	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-57.4	-38.2	176.4	-162.9	78.2	9.5	0	0	112.5	A108 L109 G116 W140 L143 G144 M146 A151	A108-Q112 PolarHBondContact O-N 2.95Å; L109-Q112 PolarHBondContact O-N 2.67Å; Q112-G116 WeakPolarHBondContact CA-O 3.18Å; Q112-G116 VanDerWaalsContact O-CA 3.24Å; Q112-G116 WeakPolarHBondContact O-CA 3.34Å; Q112-G116 PolarHBondContact O-N 3.41Å; Q112-G116 PolarHBondContact OE1-O 3.45Å; Q112-G116 VanDerWaalsContact OE1-O 3.12Å; Q112-W140 VanDerWaalsContact OE1-CD1 3.28Å; Q112-W140 VanDerWaalsContact OE1-NE1 3.11Å; Q112-L143 HydrophobicContact CB-CD1 3.69Å; Q112-L143 HydrophobicContact CG-CD1 4.12Å; Q112-G144 PolarHBondContact NE2-O 2.91Å; Q112-M146 HydrophobicContact CG-CB 4.28Å; Q112-M146 HydrophobicContact CG-CG 4.37Å; Q112-M146 PolarHBondContact NE2-O 3.27Å; Q112-A151 HydrophobicContact CB-CB 3.89Å; Q112-A151 HydrophobicContact CG-CB 3.87Å
113	V	94.8	Very high	88.5	Confident	6 Å²	6	46.8 Å²	46.8	4%	0.036	26%	0.258	C	S	.	.	H	α-helix	trans	-70	-31.4	176.8	171.7	0	0	0	0	113	Y81 L109 H110 K111 K148 A151 M152	Y81-V113 HydrophobicContact CD1-CG1 4.39Å; Y81-V113 HydrophobicContact CE1-CB 4.44Å; Y81-V113 HydrophobicContact CE1-CG1 3.65Å; Y81-V113 HydrophobicContact CE2-CG1 4.42Å; Y81-V113 HydrophobicContact CE2-CG2 4.04Å; L109-V113 WeakPolarHBondContact O-CG2 3.27Å; L109-V113 PolarHBondContact O-N 3.14Å; L109-V113 VanDerWaalsContact O-N 3.11Å; H110-V113 PolarHBondContact O-N 2.75Å; K111-V113 VanDerWaalsContact C-N 3.26Å; K111-V113 PolarHBondContact O-N 3.49Å; V113-K148 HydrophobicContact CG1-CG 4.38Å; V113-K148 WeakPolarHBondContact O-CD 3.39Å; V113-K148 WeakPolarHBondContact O-CE 3.4Å; V113-K148 PolarHBondContact O-NZ 3.36Å; V113-A151 HydrophobicContact CG2-CB 3.62Å; V113-M152 HydrophobicContact CB-CG 4.49Å; V113-M152 HydrophobicContact CG1-CE 3.51Å; V113-M152 HydrophobicContact CG1-CG 3.95Å; V113-M152 HydrophobicContact CG2-CB 4.44Å; V113-M152 HydrophobicContact CG2-CG 3.62Å
114	L	91.4	Very high	87.3	Confident	110 Å²	110	50 Å²	50	58%	0.576	28%	0.283	S	S	*	.	H	α-helix	trans	-84.4	-54.3	179.9	-69.3	177.5	0	0	0	112.3	H110 K111	H110-L114 VanDerWaalsContact CE1-CD1 3.48Å; H110-L114 WeakPolarHBondContact CE1-CD1 3.28Å; H110-L114 WeakPolarHBondContact O-CG 3.34Å; H110-L114 PolarHBondContact O-N 3.27Å; K111-L114 PolarHBondContact O-N 3.46Å
115	L	88.9	Confident	86	Confident	89 Å²	89	58.2 Å²	58.2	47%	0.466	32%	0.321	S	S	.	.	H	α-helix	trans	-109.3	-7.8	-165.3	-56.3	175.6	0	0	0	113.4	K111 W140	K111-L115 HydrophobicContact CD-CD1 4.42Å; K111-L115 PolarHBondContact O-N 2.95Å; L115-W140 HydrophobicContact CB-CH2 4.08Å; L115-W140 HydrophobicContact CB-CZ2 3.8Å; L115-W140 HydrophobicContact CD1-CH2 3.64Å; L115-W140 HydrophobicContact CD1-CZ2 4.12Å; L115-W140 HydrophobicContact CD1-CZ3 4.38Å
116	G	90	Very high	84.5	Confident	22 Å²	22	56.5 Å²	56.5	23%	0.227	32%	0.319	C	S	.	.			trans	76.1	-155.7	-173.9	0	0	0	0	0	113.4	Q112 W140	Q112-G116 WeakPolarHBondContact CA-O 3.18Å; Q112-G116 VanDerWaalsContact O-CA 3.24Å; Q112-G116 WeakPolarHBondContact O-CA 3.34Å; Q112-G116 PolarHBondContact O-N 3.41Å; Q112-G116 PolarHBondContact OE1-O 3.45Å; Q112-G116 VanDerWaalsContact OE1-O 3.12Å; G116-W140 PolarHBondContact O-NE1 3.04Å
117	P	93.4	Very high	83	Confident	62 Å²	62	58.9 Å²	58.9	40%	0.403	34%	0.343	S	S	.	.	S	Bend	trans	-54.8	147.1	178	-27.7	37.7	0	0	0	113.4	N119 G144	P117-N119 PolarHBondContact O-N 3.22Å; P117-N119 VanDerWaalsContact O-N 3.15Å; P117-G144 VanDerWaalsContact CB-O 3.3Å; P117-G144 WeakPolarHBondContact CB-O 3.3Å
118	Y	88.6	Confident	81.5	Confident	49 Å²	49	67 Å²	67	19%	0.192	38%	0.378	C	S	.	.			trans	-62.8	115	174	174.9	-99.5	0	0	0	111.3	P120 S123 R137 W140 A141	Y118-P120 HydrophobicContact CE1-CB 3.96Å; Y118-S123 VanDerWaalsContact CE2-OG 3.23Å; Y118-S123 WeakPolarHBondContact CE2-OG 3.42Å; Y118-R137 HydrophobicContact CE2-CB 4.15Å; Y118-R137 HydrophobicContact CE2-CG 4.19Å; Y118-W140 AromaticContact CD2-CD2 3.9Å; Y118-W140 HydrophobicContact CD2-CD2 3.9Å; Y118-W140 AromaticContact CD2-CE3 3.51Å; Y118-W140 HydrophobicContact CD2-CE3 3.51Å; Y118-W140 HydrophobicContact CD2-CG 4.44Å; Y118-W140 HydrophobicContact CD2-CH2 4.4Å; Y118-W140 AromaticContact CD2-CZ3 3.78Å; Y118-W140 HydrophobicContact CD2-CZ3 3.78Å; Y118-W140 HydrophobicContact CE2-CE3 4.26Å; Y118-W140 HydrophobicContact CE2-CZ3 4.38Å; Y118-W140 HydrophobicContact CG-CD2 4.47Å; Y118-W140 HydrophobicContact CG-CE3 4.48Å; Y118-A141 HydrophobicContact CD1-CB 3.69Å; Y118-A141 HydrophobicContact CE1-CB 4.29Å; Y118-A141 HydrophobicContact CG-CB 3.99Å
119	N	85.6	Confident	79.7	Confident	76 Å²	76	75.2 Å²	75.2	41%	0.406	41%	0.413	S	S	.	.			trans	-93.8	120.1	167.5	-176	-0.8	0	0	0	109.7	P117 D121 A122 S123	P117-N119 PolarHBondContact O-N 3.22Å; P117-N119 VanDerWaalsContact O-N 3.15Å; N119-D121 VanDerWaalsContact C-N 3.34Å; N119-D121 PolarHBondContact OD1-N 3.49Å; N119-A122 HydrophobicContact CB-CB 4.17Å; N119-S123 WeakPolarHBondContact O-CB 3.42Å; N119-S123 PolarHBondContact O-OG 3.48Å
120	P	81.2	Confident	78.5	Confident	77 Å²	77	77 Å²	77	50%	0.5	42%	0.423	S	S	.	.	S	Bend	trans	-64.9	-35.8	174.4	27.3	-34.4	0	0	0	112.8	Y118 A122 S123	Y118-P120 HydrophobicContact CE1-CB 3.96Å; P120-A122 VanDerWaalsContact C-N 3.31Å; P120-A122 PolarHBondContact O-N 3.24Å; P120-S123 PolarHBondContact O-N 2.92Å; P120-S123 VanDerWaalsContact O-N 3.11Å
121	D	77.1	Confident	77.6	Confident	150 Å²	150	79.8 Å²	79.8	80%	0.802	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-27.2	-171.8	-54.3	-26.9	0	0	0	111.7	N119 S123	N119-D121 VanDerWaalsContact C-N 3.34Å; N119-D121 PolarHBondContact OD1-N 3.49Å; D121-S123 VanDerWaalsContact C-N 3.33Å
122	A	69.4	Low	76.7	Confident	66 Å²	66	79.4 Å²	79.4	55%	0.545	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	12.8	173.4	0	0	0	0	0	113.5	N119 P120	N119-A122 HydrophobicContact CB-CB 4.17Å; P120-A122 VanDerWaalsContact C-N 3.31Å; P120-A122 PolarHBondContact O-N 3.24Å
123	S	63.5	Low	75.9	Confident	23 Å²	23	79.4 Å²	79.4	16%	0.161	44%	0.443	C	S	.	.	S	Bend	trans	-126.4	103	-174.4	-69.1	0	0	0	0	111.7	Y118 N119 P120 D121	Y118-S123 VanDerWaalsContact CE2-OG 3.23Å; Y118-S123 WeakPolarHBondContact CE2-OG 3.42Å; N119-S123 WeakPolarHBondContact O-CB 3.42Å; N119-S123 PolarHBondContact O-OG 3.48Å; P120-S123 PolarHBondContact O-N 2.92Å; P120-S123 VanDerWaalsContact O-N 3.11Å; D121-S123 VanDerWaalsContact C-N 3.33Å
124	P	64.1	Low	75.3	Confident	105 Å²	105	82.9 Å²	82.9	68%	0.682	46%	0.462	S	S	*	.			trans	-49.4	150.5	-179.6	-30.2	35.6	0	0	0	114.3	V126 R137	P124-V126 PolarHBondContact O-N 3.37Å; P124-R137 PolarHBondContact O-NH1 3.27Å
125	E	65	Low	75	Confident	188 Å²	188	79.7 Å²	79.7	88%	0.879	45%	0.445	S	S	*	.			trans	-62.9	103.3	177.4	-70.9	-156.4	162.8	0	0	111.4	G127	E125-G127 PolarHBondContact O-N 3.43Å
126	V	64.2	Low	74.8	Confident	39 Å²	39	77.8 Å²	77.8	24%	0.236	43%	0.432	C	S	.	.			trans	-65.5	106.6	168.3	178.2	0	0	0	0	108.1	P124 D130 R137	P124-V126 PolarHBondContact O-N 3.37Å; V126-D130 HydrophobicContact CG1-CB 3.65Å; V126-D130 WeakPolarHBondContact CG1-O 3.34Å; V126-R137 HydrophobicContact CG2-CG 4.25Å; V126-R137 VanDerWaalsContact CG2-NE 3.34Å
127	G	61.8	Low	74.6	Confident	50 Å²	50	79.4 Å²	79.4	52%	0.515	43%	0.431	S	S	.	.			trans	-57.5	151.2	-177.3	0	0	0	0	0	113.2	E125 F129 D130	E125-G127 PolarHBondContact O-N 3.43Å; G127-F129 PolarHBondContact O-N 2.87Å; G127-D130 PolarHBondContact O-N 3.06Å
128	F	61.1	Low	74.4	Confident	189 Å²	189	83.6 Å²	83.6	83%	0.829	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.9	-26.3	-169	-177.7	-99.5	0	0	0	116.7
129	F	57.7	Low	74.7	Confident	172 Å²	172	83.4 Å²	83.4	75%	0.754	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-15.5	-178.9	-65.1	-77.4	0	0	0	115.2	G127 V131	G127-F129 PolarHBondContact O-N 2.87Å; F129-V131 VanDerWaalsContact C-N 3.31Å; F129-V131 PolarHBondContact O-N 2.93Å; F129-V131 VanDerWaalsContact O-N 3.07Å
130	D	72.1	Confident	75.1	Confident	40 Å²	40	80.5 Å²	80.5	21%	0.214	43%	0.427	C	S	.	.			trans	-85.8	74.6	172.5	-178.2	25.3	0	0	0	111.5	V126 G127 L132 G133 N134 R136	V126-D130 HydrophobicContact CG1-CB 3.65Å; V126-D130 WeakPolarHBondContact CG1-O 3.34Å; G127-D130 PolarHBondContact O-N 3.06Å; D130-L132 PolarHBondContact O-N 2.87Å; D130-L132 WeakPolarHBondContact OD1-CB 3.38Å; D130-L132 PolarHBondContact OD1-N 2.98Å; D130-G133 PolarHBondContact O-N 3.41Å; D130-G133 PolarHBondContact OD1-N 2.93Å; D130-G133 WeakPolarHBondContact OD2-CA 3.43Å; D130-G133 PolarHBondContact OD2-N 3.4Å; D130-N134 PolarHBondContact O-N 3.29Å; D130-R136 IonicContact OD2-NH2 2.68Å
131	V	74.6	Confident	75.7	Confident	87 Å²	87	79 Å²	79	53%	0.527	42%	0.421	S	S	.	.	H	α-helix	trans	-53.8	-35.6	172.9	-176.6	0	0	0	0	111.4	F129 N134 D135	F129-V131 VanDerWaalsContact C-N 3.31Å; F129-V131 PolarHBondContact O-N 2.93Å; F129-V131 VanDerWaalsContact O-N 3.07Å; V131-N134 PolarHBondContact O-N 3.3Å; V131-D135 WeakPolarHBondContact O-CB 3.36Å; V131-D135 PolarHBondContact O-N 3.1Å
132	L	72.3	Confident	76.6	Confident	67 Å²	67	75 Å²	75	35%	0.351	41%	0.405	S	S	.	.	H	α-helix	trans	-73.3	-36.9	-178	-59	178.5	0	0	0	111.9	Y100 D130 R136	Y100-L132 HydrophobicContact CE2-CD2 3.93Å; Y100-L132 WeakPolarHBondContact OH-CD2 3.38Å; D130-L132 PolarHBondContact O-N 2.87Å; D130-L132 WeakPolarHBondContact OD1-CB 3.38Å; D130-L132 PolarHBondContact OD1-N 2.98Å; L132-R136 WeakPolarHBondContact O-CB 3.43Å; L132-R136 WeakPolarHBondContact O-CD 3.4Å; L132-R136 WeakPolarHBondContact O-CG 3.39Å; L132-R136 PolarHBondContact O-N 2.95Å; L132-R136 PolarHBondContact O-NE 3.36Å
133	G	76.4	Confident	77.8	Confident	1 Å²	1	72.3 Å²	72.3	1%	0.01	38%	0.382	C	S	.	.	H	α-helix	trans	-65.3	-41.7	168.1	0	0	0	0	0	112.9	D130 R136 R137	D130-G133 PolarHBondContact O-N 3.41Å; D130-G133 PolarHBondContact OD1-N 2.93Å; D130-G133 WeakPolarHBondContact OD2-CA 3.43Å; D130-G133 PolarHBondContact OD2-N 3.4Å; G133-R136 PolarHBondContact O-N 2.98Å; G133-R137 WeakPolarHBondContact O-CG 3.43Å; G133-R137 PolarHBondContact O-N 2.99Å
134	N	82.3	Confident	79.3	Confident	79 Å²	79	72.7 Å²	72.7	42%	0.422	39%	0.389	S	S	.	.	H	α-helix	trans	-63.8	-46.5	179.6	-169	58.5	0	0	0	111.9	D130 V131 R136 R137 K138	D130-N134 PolarHBondContact O-N 3.29Å; V131-N134 PolarHBondContact O-N 3.3Å; N134-R136 VanDerWaalsContact C-N 3.34Å; N134-R136 PolarHBondContact O-N 3.45Å; N134-R137 PolarHBondContact O-N 2.9Å; N134-K138 VanDerWaalsContact O-CB 3.29Å; N134-K138 WeakPolarHBondContact O-CB 3.42Å; N134-K138 PolarHBondContact O-N 3Å
135	D	86.4	Confident	80.8	Confident	43 Å²	43	74.6 Å²	74.6	23%	0.23	39%	0.393	C	S	.	.	H	α-helix	trans	-59.1	-43	174.1	-76	-12.6	0	0	0	111.8	Y100 L104 V131 K138 E139	Y100-D135 WeakPolarHBondContact CE1-OD2 3.39Å; Y100-D135 WeakPolarHBondContact OH-CB 3.34Å; Y100-D135 PolarHBondContact OH-OD2 3.47Å; L104-D135 HydrophobicContact CD1-CB 4.1Å; L104-D135 HydrophobicContact CD2-CB 4.02Å; V131-D135 WeakPolarHBondContact O-CB 3.36Å; V131-D135 PolarHBondContact O-N 3.1Å; D135-K138 PolarHBondContact O-N 3Å; D135-E139 WeakPolarHBondContact O-CB 3.48Å; D135-E139 PolarHBondContact O-N 3.34Å
136	R	83.7	Confident	82.3	Confident	48 Å²	48	67 Å²	67	18%	0.181	36%	0.358	C	S	.	.	H	α-helix	trans	-64.1	-43.3	178.1	-74	174.3	-58.8	147.7	4.3	112.8	L104 D130 L132 G133 N134 W140 S525	L104-R136 HydrophobicContact CD1-CB 4.37Å; L104-R136 HydrophobicContact CD1-CG 3.63Å; D130-R136 IonicContact OD2-NH2 2.68Å; L132-R136 WeakPolarHBondContact O-CB 3.43Å; L132-R136 WeakPolarHBondContact O-CD 3.4Å; L132-R136 WeakPolarHBondContact O-CG 3.39Å; L132-R136 PolarHBondContact O-N 2.95Å; L132-R136 PolarHBondContact O-NE 3.36Å; G133-R136 PolarHBondContact O-N 2.98Å; N134-R136 VanDerWaalsContact C-N 3.34Å; N134-R136 PolarHBondContact O-N 3.45Å; R136-W140 PolarHBondContact O-N 3.44Å; R136-W140 VanDerWaalsContact O-N 3.16Å; R136-S525 PolarHBondContact NH1-O 3.35Å
137	R	85.4	Confident	83.8	Confident	57 Å²	57	71.8 Å²	71.8	22%	0.215	38%	0.378	C	S	.	.	H	α-helix	trans	-63.7	-45.5	174.6	-69.6	-165.8	-54.7	171.8	8.4	110.6	Y118 P124 V126 G133 N134 E139 W140 A141	Y118-R137 HydrophobicContact CE2-CB 4.15Å; Y118-R137 HydrophobicContact CE2-CG 4.19Å; P124-R137 PolarHBondContact O-NH1 3.27Å; V126-R137 HydrophobicContact CG2-CG 4.25Å; V126-R137 VanDerWaalsContact CG2-NE 3.34Å; G133-R137 WeakPolarHBondContact O-CG 3.43Å; G133-R137 PolarHBondContact O-N 2.99Å; N134-R137 PolarHBondContact O-N 2.9Å; R137-E139 PolarHBondContact O-N 2.93Å; R137-W140 PolarHBondContact O-N 3.45Å; R137-A141 VanDerWaalsContact O-CB 3.3Å; R137-A141 WeakPolarHBondContact O-CB 3.16Å; R137-A141 PolarHBondContact O-N 3.49Å
138	K	90.9	Very high	85.4	Confident	149 Å²	149	75 Å²	75	65%	0.648	38%	0.378	S	S	*	.	H	α-helix	trans	-60.9	-42.7	179.2	-176.4	-177.4	175.6	-170.1	0	112.8	N134 D135 S142	N134-K138 VanDerWaalsContact O-CB 3.29Å; N134-K138 WeakPolarHBondContact O-CB 3.42Å; N134-K138 PolarHBondContact O-N 3Å; D135-K138 PolarHBondContact O-N 3Å; K138-S142 PolarHBondContact O-N 2.96Å
139	E	93.9	Very high	87	Confident	45 Å²	45	70 Å²	70	21%	0.21	36%	0.357	C	S	.	.	H	α-helix	trans	-70.3	-38.5	179.9	-169.9	58.3	-147.2	0	0	112	L104 R105 A108 D135 R137 S142	L104-E139 HydrophobicContact CB-CG 4.27Å; L104-E139 HydrophobicContact CD2-CB 3.65Å; L104-E139 HydrophobicContact CD2-CG 3.98Å; L104-E139 HydrophobicContact CG-CB 3.67Å; L104-E139 HydrophobicContact CG-CG 3.85Å; R105-E139 WeakPolarHBondContact CD-OE1 3.45Å; R105-E139 IonicContact CZ-OE1 3.61Å; R105-E139 IonicContact NE-OE1 3.7Å; R105-E139 IonicContact NH1-OE1 2.72Å; R105-E139 PolarHBondContact NH1-OE1 2.93Å; A108-E139 HydrophobicContact CB-CB 4.24Å; A108-E139 HydrophobicContact CB-CG 3.79Å; D135-E139 WeakPolarHBondContact O-CB 3.48Å; D135-E139 PolarHBondContact O-N 3.34Å; R137-E139 PolarHBondContact O-N 2.93Å; E139-S142 WeakPolarHBondContact O-CB 3.38Å; E139-S142 PolarHBondContact O-N 2.88Å; E139-S142 PolarHBondContact O-OG 3.34Å
140	W	93.9	Very high	88.9	Confident	15 Å²	15	66.5 Å²	66.5	6%	0.057	34%	0.343	C	S	.	.	H	α-helix	trans	-67.3	-43.3	173.2	-177	17.9	0	0	0	111.6	A108 K111 Q112 L115 G116 Y118 R136 R137 S142 L143	A108-W140 HydrophobicContact CB-CB 4.17Å; K111-W140 HydrophobicContact CB-CD2 3.79Å; K111-W140 HydrophobicContact CB-CE3 4.24Å; K111-W140 HydrophobicContact CB-CG 4.11Å; K111-W140 HydrophobicContact CB-CZ2 4.29Å; K111-W140 HydrophobicContact CD-CD2 3.74Å; K111-W140 HydrophobicContact CD-CE3 3.28Å; K111-W140 HydrophobicContact CD-CH2 4.1Å; K111-W140 HydrophobicContact CD-CZ2 4.45Å; K111-W140 HydrophobicContact CD-CZ3 3.51Å; K111-W140 HydrophobicContact CG-CD2 4.42Å; K111-W140 HydrophobicContact CG-CE3 4.39Å; Q112-W140 VanDerWaalsContact OE1-CD1 3.28Å; Q112-W140 VanDerWaalsContact OE1-NE1 3.11Å; L115-W140 HydrophobicContact CB-CH2 4.08Å; L115-W140 HydrophobicContact CB-CZ2 3.8Å; L115-W140 HydrophobicContact CD1-CH2 3.64Å; L115-W140 HydrophobicContact CD1-CZ2 4.12Å; L115-W140 HydrophobicContact CD1-CZ3 4.38Å; G116-W140 PolarHBondContact O-NE1 3.04Å; Y118-W140 AromaticContact CD2-CD2 3.9Å; Y118-W140 HydrophobicContact CD2-CD2 3.9Å; Y118-W140 AromaticContact CD2-CE3 3.51Å; Y118-W140 HydrophobicContact CD2-CE3 3.51Å; Y118-W140 HydrophobicContact CD2-CG 4.44Å; Y118-W140 HydrophobicContact CD2-CH2 4.4Å; Y118-W140 AromaticContact CD2-CZ3 3.78Å; Y118-W140 HydrophobicContact CD2-CZ3 3.78Å; Y118-W140 HydrophobicContact CE2-CE3 4.26Å; Y118-W140 HydrophobicContact CE2-CZ3 4.38Å; Y118-W140 HydrophobicContact CG-CD2 4.47Å; Y118-W140 HydrophobicContact CG-CE3 4.48Å; R136-W140 PolarHBondContact O-N 3.44Å; R136-W140 VanDerWaalsContact O-N 3.16Å; R137-W140 PolarHBondContact O-N 3.45Å; W140-S142 PolarHBondContact O-N 3.48Å; W140-L143 WeakPolarHBondContact O-CB 3.42Å; W140-L143 PolarHBondContact O-N 3.01Å
141	A	93.3	Very high	90.1	Very high	45 Å²	45	64.6 Å²	64.6	37%	0.372	33%	0.333	S	S	.	.	H	α-helix	trans	-58.3	-30.7	171.8	0	0	0	0	0	112.9	Y118 R137 L143 G144	Y118-A141 HydrophobicContact CD1-CB 3.69Å; Y118-A141 HydrophobicContact CE1-CB 4.29Å; Y118-A141 HydrophobicContact CG-CB 3.99Å; R137-A141 VanDerWaalsContact O-CB 3.3Å; R137-A141 WeakPolarHBondContact O-CB 3.16Å; R137-A141 PolarHBondContact O-N 3.49Å; A141-L143 PolarHBondContact O-N 3.31Å; A141-G144 PolarHBondContact O-N 2.89Å
142	S	96.3	Very high	91.2	Very high	66 Å²	66	61 Å²	61	46%	0.462	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-15.3	175.4	88.6	0	0	0	0	114.6	R105 K138 E139 W140	R105-S142 PolarHBondContact NH1-OG 3.36Å; K138-S142 PolarHBondContact O-N 2.96Å; E139-S142 WeakPolarHBondContact O-CB 3.38Å; E139-S142 PolarHBondContact O-N 2.88Å; E139-S142 PolarHBondContact O-OG 3.34Å; W140-S142 PolarHBondContact O-N 3.48Å
143	L	95.9	Very high	92.4	Very high	11 Å²	11	58.1 Å²	58.1	6%	0.058	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-23.2	174.7	-57.1	-176.2	0	0	0	112.7	A108 L109 Q112 W140 A141 N145 M146	A108-L143 VanDerWaalsContact C-CD1 3.42Å; A108-L143 HydrophobicContact CB-CD1 3.86Å; A108-L143 HydrophobicContact CB-CG 4.37Å; A108-L143 WeakPolarHBondContact O-CD1 3.33Å; L109-L143 HydrophobicContact CD2-CD1 4.07Å; L109-L143 HydrophobicContact CD2-CD2 4.07Å; L109-L143 HydrophobicContact CG-CD1 4.38Å; Q112-L143 HydrophobicContact CB-CD1 3.69Å; Q112-L143 HydrophobicContact CG-CD1 4.12Å; W140-L143 WeakPolarHBondContact O-CB 3.42Å; W140-L143 PolarHBondContact O-N 3.01Å; A141-L143 PolarHBondContact O-N 3.31Å; L143-N145 PolarHBondContact O-N 3.08Å; L143-M146 HydrophobicContact CB-CB 4.26Å; L143-M146 HydrophobicContact CD2-CE 4.3Å; L143-M146 HydrophobicContact CD2-SD 4.08Å; L143-M146 VanDerWaalsContact O-CB 3.28Å; L143-M146 WeakPolarHBondContact O-CB 3.4Å; L143-M146 PolarHBondContact O-N 3Å; L143-M146 VanDerWaalsContact O-N 3.11Å
144	G	95	Very high	93.4	Very high	30 Å²	30	61 Å²	61	31%	0.309	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.3	-127.1	-178	0	0	0	0	0	112.4	Q112 P117 A141 M146	Q112-G144 PolarHBondContact NE2-O 2.91Å; P117-G144 VanDerWaalsContact CB-O 3.3Å; P117-G144 WeakPolarHBondContact CB-O 3.3Å; A141-G144 PolarHBondContact O-N 2.89Å; G144-M146 VanDerWaalsContact C-N 3.26Å; G144-M146 PolarHBondContact O-N 3.04Å
145	N	94.7	Very high	94.2	Very high	146 Å²	146	57.3 Å²	57.3	78%	0.781	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	22.5	-176.2	-62.7	-1.2	0	0	0	113.9	L143 E147	L143-N145 PolarHBondContact O-N 3.08Å; N145-E147 PolarHBondContact O-N 2.66Å
146	M	96	Very high	94.7	Very high	29 Å²	29	55.2 Å²	55.2	14%	0.143	28%	0.278	C	S	.	.			trans	-52	128.5	175.2	172	173.2	-75.2	0	0	111.4	L109 Q112 L143 G144 E150 A151	L109-M146 HydrophobicContact CD2-SD 3.6Å; L109-M146 VanDerWaalsContact CD2-SD 3.6Å; Q112-M146 HydrophobicContact CG-CB 4.28Å; Q112-M146 HydrophobicContact CG-CG 4.37Å; Q112-M146 PolarHBondContact NE2-O 3.27Å; L143-M146 HydrophobicContact CB-CB 4.26Å; L143-M146 HydrophobicContact CD2-CE 4.3Å; L143-M146 HydrophobicContact CD2-SD 4.08Å; L143-M146 VanDerWaalsContact O-CB 3.28Å; L143-M146 WeakPolarHBondContact O-CB 3.4Å; L143-M146 PolarHBondContact O-N 3Å; L143-M146 VanDerWaalsContact O-N 3.11Å; G144-M146 VanDerWaalsContact C-N 3.26Å; G144-M146 PolarHBondContact O-N 3.04Å; M146-E150 HydrophobicContact CE-CG 4.22Å; M146-E150 HydrophobicContact CG-CB 4.09Å; M146-E150 HydrophobicContact CG-CG 4.08Å; M146-E150 HydrophobicContact SD-CG 4.45Å; M146-A151 HydrophobicContact CG-CB 4.09Å; M146-A151 HydrophobicContact SD-CB 3.91Å
147	E	95.4	Very high	95.3	Very high	139 Å²	139	57.7 Å²	57.7	65%	0.65	29%	0.29	S	S	*	.			trans	-70.2	154.1	-177.1	-68.6	-165.6	159.6	0	0	112.3	N145 E149 E150 A151	N145-E147 PolarHBondContact O-N 2.66Å; E147-E149 VanDerWaalsContact C-N 3.26Å; E147-E149 PolarHBondContact O-N 3.47Å; E147-E150 HydrophobicContact CB-CB 4.4Å; E147-E150 PolarHBondContact O-N 2.91Å; E147-E150 VanDerWaalsContact O-N 3.16Å; E147-A151 WeakPolarHBondContact O-CB 3.42Å; E147-A151 PolarHBondContact O-N 3.36Å
148	K	95.4	Very high	95.9	Very high	117 Å²	117	56.1 Å²	56.1	51%	0.509	29%	0.286	S	S	.	.	H	α-helix	trans	-56.8	-37.8	179.4	179.8	160.4	179.9	146	0	112.9	V113 M152	V113-K148 HydrophobicContact CG1-CG 4.38Å; V113-K148 WeakPolarHBondContact O-CD 3.39Å; V113-K148 WeakPolarHBondContact O-CE 3.4Å; V113-K148 PolarHBondContact O-NZ 3.36Å; K148-M152 HydrophobicContact CG-CE 4.02Å; K148-M152 WeakPolarHBondContact O-CG 3.2Å; K148-M152 PolarHBondContact O-N 3.49Å
149	E	96.1	Very high	96	Very high	85 Å²	85	49 Å²	49	40%	0.397	26%	0.255	S	S	.	.	H	α-helix	trans	-73.5	-41	178	-53.7	-148.5	129.9	0	0	111.6	K66 L77 E147 A151 M152 V153	K66-E149 WeakPolarHBondContact CD-OE2 3.45Å; K66-E149 IonicContact NZ-OE1 3.06Å; K66-E149 PolarHBondContact NZ-OE1 3.36Å; K66-E149 IonicContact NZ-OE2 2.7Å; K66-E149 PolarHBondContact NZ-OE2 2.92Å; L77-E149 HydrophobicContact CD2-CB 3.85Å; L77-E149 HydrophobicContact CD2-CG 4.48Å; E147-E149 VanDerWaalsContact C-N 3.26Å; E147-E149 PolarHBondContact O-N 3.47Å; E149-A151 PolarHBondContact O-N 3Å; E149-M152 WeakPolarHBondContact O-CB 3.48Å; E149-M152 PolarHBondContact O-N 3.26Å; E149-V153 WeakPolarHBondContact O-CG2 3.37Å; E149-V153 PolarHBondContact O-N 3.49Å
150	E	96.6	Very high	96.1	Very high	97 Å²	97	49.1 Å²	49.1	45%	0.453	26%	0.257	S	S	.	.	H	α-helix	trans	-61	-44	174.4	-174.5	179.1	-156.4	0	0	111.6	M146 E147 M152 V153 E154	M146-E150 HydrophobicContact CE-CG 4.22Å; M146-E150 HydrophobicContact CG-CB 4.09Å; M146-E150 HydrophobicContact CG-CG 4.08Å; M146-E150 HydrophobicContact SD-CG 4.45Å; E147-E150 HydrophobicContact CB-CB 4.4Å; E147-E150 PolarHBondContact O-N 2.91Å; E147-E150 VanDerWaalsContact O-N 3.16Å; E150-M152 VanDerWaalsContact C-N 3.31Å; E150-M152 PolarHBondContact O-N 3.06Å; E150-V153 WeakPolarHBondContact O-CB 3.35Å; E150-V153 PolarHBondContact O-N 3.18Å; E150-V153 VanDerWaalsContact O-N 3.11Å; E150-E154 PolarHBondContact O-N 3.19Å
151	A	97.6	Very high	96.1	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-62.8	-34.8	176.9	0	0	0	0	0	112.9	L109 Q112 V113 M146 E147 E149 F155	L109-A151 HydrophobicContact CD2-CB 4.23Å; Q112-A151 HydrophobicContact CB-CB 3.89Å; Q112-A151 HydrophobicContact CG-CB 3.87Å; V113-A151 HydrophobicContact CG2-CB 3.62Å; M146-A151 HydrophobicContact CG-CB 4.09Å; M146-A151 HydrophobicContact SD-CB 3.91Å; E147-A151 WeakPolarHBondContact O-CB 3.42Å; E147-A151 PolarHBondContact O-N 3.36Å; E149-A151 PolarHBondContact O-N 3Å; A151-F155 VanDerWaalsContact O-CB 3.23Å; A151-F155 WeakPolarHBondContact O-CB 3.45Å; A151-F155 PolarHBondContact O-N 3.39Å
152	M	97.9	Very high	96	Very high	12 Å²	12	55 Å²	55	6%	0.059	28%	0.277	C	S	.	.	H	α-helix	trans	-66.2	-45.3	170.3	-69.7	-176.3	-166.6	0	0	111.8	L77 L78 Y81 V113 K148 E149 E150 F155 V156	L77-M152 HydrophobicContact CD1-CB 3.84Å; L77-M152 HydrophobicContact CD2-CB 4.15Å; L77-M152 HydrophobicContact CD2-SD 4.42Å; L77-M152 HydrophobicContact CG-CB 3.95Å; L77-M152 HydrophobicContact CG-SD 4.07Å; L78-M152 HydrophobicContact CD1-CE 3.68Å; L78-M152 HydrophobicContact CD1-SD 4.22Å; Y81-M152 HydrophobicContact CD1-CE 4.42Å; Y81-M152 HydrophobicContact CD1-CG 4.09Å; Y81-M152 HydrophobicContact CD1-SD 4.25Å; Y81-M152 HydrophobicContact CD2-CB 3.77Å; Y81-M152 HydrophobicContact CD2-CG 3.63Å; Y81-M152 HydrophobicContact CE2-CB 4.44Å; Y81-M152 HydrophobicContact CE2-CG 4.08Å; Y81-M152 HydrophobicContact CG-CB 4.05Å; Y81-M152 HydrophobicContact CG-CG 3.63Å; Y81-M152 HydrophobicContact CG-SD 4.04Å; V113-M152 HydrophobicContact CB-CG 4.49Å; V113-M152 HydrophobicContact CG1-CE 3.51Å; V113-M152 HydrophobicContact CG1-CG 3.95Å; V113-M152 HydrophobicContact CG2-CB 4.44Å; V113-M152 HydrophobicContact CG2-CG 3.62Å; K148-M152 HydrophobicContact CG-CE 4.02Å; K148-M152 WeakPolarHBondContact O-CG 3.2Å; K148-M152 PolarHBondContact O-N 3.49Å; E149-M152 WeakPolarHBondContact O-CB 3.48Å; E149-M152 PolarHBondContact O-N 3.26Å; E150-M152 VanDerWaalsContact C-N 3.31Å; E150-M152 PolarHBondContact O-N 3.06Å; M152-F155 PolarHBondContact O-N 3.41Å; M152-V156 WeakPolarHBondContact O-CG2 3.43Å; M152-V156 PolarHBondContact O-N 2.91Å
153	V	97.8	Very high	95.7	Very high	6 Å²	6	52 Å²	52	4%	0.036	26%	0.255	C	S	.	.	H	α-helix	trans	-59.9	-48.6	179.6	168.6	0	0	0	0	110.9	I69 L77 E149 E150 V156 K157	I69-V153 HydrophobicContact CD1-CG1 4.2Å; I69-V153 HydrophobicContact CG2-CG2 4.03Å; L77-V153 HydrophobicContact CD1-CG2 3.73Å; L77-V153 HydrophobicContact CD2-CG2 3.92Å; E149-V153 WeakPolarHBondContact O-CG2 3.37Å; E149-V153 PolarHBondContact O-N 3.49Å; E150-V153 WeakPolarHBondContact O-CB 3.35Å; E150-V153 PolarHBondContact O-N 3.18Å; E150-V153 VanDerWaalsContact O-N 3.11Å; V153-V156 PolarHBondContact O-N 2.96Å; V153-K157 HydrophobicContact CG1-CD 4Å; V153-K157 VanDerWaalsContact CG1-CE 3.43Å; V153-K157 WeakPolarHBondContact O-CG 3.37Å; V153-K157 PolarHBondContact O-N 3.31Å
154	E	97.8	Very high	95.5	Very high	63 Å²	63	57.8 Å²	57.8	29%	0.294	29%	0.287	S	S	.	.	H	α-helix	trans	-67.7	-36.5	178.4	-71.1	-50.6	126.9	0	0	112.7	L109 E150 V156 K157 L158	L109-E154 HydrophobicContact CD1-CB 4.09Å; L109-E154 HydrophobicContact CD2-CB 3.99Å; E150-E154 PolarHBondContact O-N 3.19Å; E154-V156 VanDerWaalsContact C-N 3.35Å; E154-V156 PolarHBondContact O-N 2.86Å; E154-K157 PolarHBondContact O-N 2.94Å; E154-K157 WeakPolarHBondContact OE1-CD 3.5Å; E154-K157 WeakPolarHBondContact OE1-CE 3.45Å; E154-K157 IonicContact OE1-NZ 2.61Å; E154-K157 PolarHBondContact OE1-NZ 3.4Å; E154-L158 VanDerWaalsContact O-CB 3.24Å; E154-L158 WeakPolarHBondContact O-CB 3.46Å; E154-L158 PolarHBondContact O-N 3.09Å
155	F	97.7	Very high	95.4	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-60.3	-44.8	174	-178.9	-83.4	0	0	0	111.5	Y81 A84 L85 F88 L106 L109 H110 A151 M152 L159	Y81-F155 HydrophobicContact CD2-CB 4.27Å; Y81-F155 AromaticContact CD2-CD1 3.83Å; Y81-F155 HydrophobicContact CD2-CD1 3.83Å; Y81-F155 HydrophobicContact CD2-CG 4.2Å; Y81-F155 HydrophobicContact CE2-CB 3.93Å; Y81-F155 AromaticContact CE2-CD1 3.66Å; Y81-F155 HydrophobicContact CE2-CD1 3.66Å; Y81-F155 HydrophobicContact CE2-CD2 4.27Å; Y81-F155 HydrophobicContact CE2-CE1 4.22Å; Y81-F155 AromaticContact CE2-CG 3.7Å; Y81-F155 HydrophobicContact CE2-CG 3.7Å; A84-F155 HydrophobicContact CB-CD1 4.08Å; A84-F155 HydrophobicContact CB-CE1 3.83Å; L85-F155 HydrophobicContact CB-CE1 4.34Å; L85-F155 HydrophobicContact CB-CZ 4.45Å; L85-F155 HydrophobicContact CD1-CE1 4.49Å; L85-F155 HydrophobicContact CD1-CE2 4.38Å; L85-F155 HydrophobicContact CD1-CZ 3.81Å; F88-F155 HydrophobicContact CB-CZ 4.32Å; F88-F155 AromaticContact CD1-CE2 4Å; F88-F155 HydrophobicContact CD1-CE2 4Å; F88-F155 AromaticContact CD1-CZ 3.64Å; F88-F155 HydrophobicContact CD1-CZ 3.64Å; F88-F155 HydrophobicContact CE1-CE2 4.16Å; F88-F155 HydrophobicContact CE1-CZ 4.27Å; F88-F155 HydrophobicContact CG-CZ 4.33Å; L106-F155 HydrophobicContact CB-CD2 4.43Å; L106-F155 HydrophobicContact CB-CE2 4.13Å; L106-F155 HydrophobicContact CD2-CD2 3.66Å; L106-F155 HydrophobicContact CD2-CE2 3.75Å; L106-F155 HydrophobicContact CD2-CG 4.12Å; L106-F155 HydrophobicContact CD2-CZ 4.27Å; L106-F155 WeakPolarHBondContact O-CD2 3.48Å; L106-F155 WeakPolarHBondContact O-CE2 3.31Å; L109-F155 HydrophobicContact CB-CB 4.15Å; L109-F155 HydrophobicContact CB-CD2 4.17Å; L109-F155 HydrophobicContact CD1-CB 4.41Å; H110-F155 HydrophobicContact CB-CE2 4.33Å; A151-F155 VanDerWaalsContact O-CB 3.23Å; A151-F155 WeakPolarHBondContact O-CB 3.45Å; A151-F155 PolarHBondContact O-N 3.39Å; M152-F155 PolarHBondContact O-N 3.41Å; F155-L159 HydrophobicContact CE1-CD2 4.41Å; F155-L159 VanDerWaalsContact O-CB 3.32Å; F155-L159 WeakPolarHBondContact O-CB 3.33Å; F155-L159 PolarHBondContact O-N 2.94Å
156	V	97.7	Very high	95.5	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-67.3	-43.4	177.9	175.3	0	0	0	0	111.4	I69 L80 A84 M152 V153 E154 N160 F166	I69-V156 HydrophobicContact CD1-CB 3.99Å; I69-V156 HydrophobicContact CD1-CG1 3.78Å; I69-V156 HydrophobicContact CG1-CG1 4.41Å; L80-V156 HydrophobicContact CD1-CG1 4.48Å; L80-V156 HydrophobicContact CD2-CG1 3.97Å; L80-V156 HydrophobicContact CG-CG1 4.04Å; L80-V156 HydrophobicContact CG-CG2 4.18Å; A84-V156 HydrophobicContact CB-CG2 3.9Å; M152-V156 WeakPolarHBondContact O-CG2 3.43Å; M152-V156 PolarHBondContact O-N 2.91Å; V153-V156 PolarHBondContact O-N 2.96Å; E154-V156 VanDerWaalsContact C-N 3.35Å; E154-V156 PolarHBondContact O-N 2.86Å; V156-N160 VanDerWaalsContact O-CB 3.31Å; V156-N160 WeakPolarHBondContact O-CB 3.49Å; V156-N160 PolarHBondContact O-N 3.35Å; V156-F166 HydrophobicContact CG1-CE1 4.04Å; V156-F166 HydrophobicContact CG1-CZ 4.41Å
157	K	96.6	Very high	95.4	Very high	100 Å²	100	53.4 Å²	53.4	44%	0.435	26%	0.26	S	S	.	.	H	α-helix	trans	-58.6	-48.6	175.1	-75.4	168.5	178.8	175	0	111.5	I69 V153 E154 N160 K161	I69-K157 HydrophobicContact CD1-CG 4.06Å; V153-K157 HydrophobicContact CG1-CD 4Å; V153-K157 VanDerWaalsContact CG1-CE 3.43Å; V153-K157 WeakPolarHBondContact O-CG 3.37Å; V153-K157 PolarHBondContact O-N 3.31Å; E154-K157 PolarHBondContact O-N 2.94Å; E154-K157 WeakPolarHBondContact OE1-CD 3.5Å; E154-K157 WeakPolarHBondContact OE1-CE 3.45Å; E154-K157 IonicContact OE1-NZ 2.61Å; E154-K157 PolarHBondContact OE1-NZ 3.4Å; K157-N160 PolarHBondContact O-N 3Å; K157-K161 PolarHBondContact O-N 2.71Å; K157-K161 VanDerWaalsContact O-N 3.08Å
158	L	96.4	Very high	95.4	Very high	24 Å²	24	50.3 Å²	50.3	13%	0.126	25%	0.252	C	S	.	.	H	α-helix	trans	-65.9	-46.8	-178.6	-179	55.9	0	0	0	111.5	E102 R105 L106 L109 E154 N160 K161 C162	E102-L158 HydrophobicContact CG-CD1 4.3Å; R105-L158 HydrophobicContact CB-CD2 3.74Å; R105-L158 HydrophobicContact CG-CD2 3.61Å; L106-L158 HydrophobicContact CD2-CB 4.1Å; L106-L158 HydrophobicContact CD2-CD2 3.9Å; L106-L158 HydrophobicContact CD2-CG 3.94Å; L106-L158 HydrophobicContact CG-CD2 3.77Å; L106-L158 HydrophobicContact CG-CG 4.06Å; L109-L158 HydrophobicContact CD1-CD2 4.3Å; E154-L158 VanDerWaalsContact O-CB 3.24Å; E154-L158 WeakPolarHBondContact O-CB 3.46Å; E154-L158 PolarHBondContact O-N 3.09Å; L158-N160 VanDerWaalsContact C-N 3.29Å; L158-N160 PolarHBondContact O-N 3.41Å; L158-K161 WeakPolarHBondContact O-CA 3.42Å; L158-K161 WeakPolarHBondContact O-CB 3.41Å; L158-K161 PolarHBondContact O-N 2.84Å; L158-C162 PolarHBondContact O-N 3.21Å; L158-C162 PolarHBondContact O-SG 3.22Å
159	L	94.9	Very high	95.4	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-58.6	-41.8	176.6	-176.9	67	0	0	0	112.1	A84 F87 F88 F96 L106 F155 K161 C162 C163 F166	A84-L159 HydrophobicContact CB-CD2 3.6Å; A84-L159 WeakPolarHBondContact O-CD2 3.45Å; F87-L159 HydrophobicContact CD1-CD1 4.28Å; F87-L159 HydrophobicContact CD1-CD2 4.13Å; F87-L159 HydrophobicContact CD1-CG 4.41Å; F88-L159 HydrophobicContact CB-CD1 4.02Å; F88-L159 HydrophobicContact CB-CD2 4.38Å; F88-L159 HydrophobicContact CD2-CD1 4.33Å; F88-L159 HydrophobicContact CG-CD1 4.39Å; F96-L159 HydrophobicContact CE1-CD1 4.24Å; F96-L159 HydrophobicContact CE2-CD1 4.01Å; F96-L159 HydrophobicContact CZ-CD1 3.42Å; F96-L159 VanDerWaalsContact CZ-CD1 3.42Å; L106-L159 HydrophobicContact CD2-CB 4.37Å; F155-L159 HydrophobicContact CE1-CD2 4.41Å; F155-L159 VanDerWaalsContact O-CB 3.32Å; F155-L159 WeakPolarHBondContact O-CB 3.33Å; F155-L159 PolarHBondContact O-N 2.94Å; L159-K161 VanDerWaalsContact C-N 3.28Å; L159-K161 PolarHBondContact O-N 3.46Å; L159-C162 PolarHBondContact O-N 2.88Å; L159-C163 PolarHBondContact O-N 3.31Å; L159-F166 HydrophobicContact CD2-CD2 3.82Å; L159-F166 HydrophobicContact CD2-CE2 3.89Å; L159-F166 HydrophobicContact CD2-CG 4.16Å; L159-F166 HydrophobicContact CD2-CZ 4.24Å; L159-F166 HydrophobicContact CG-CD2 4.39Å; L159-F166 HydrophobicContact CG-CG 4.26Å
160	N	94.7	Very high	95.4	Very high	47 Å²	47	42.4 Å²	42.4	25%	0.251	22%	0.216	S	C	.	.	H	α-helix	trans	-64.6	-31.1	176	-175.2	78.9	0	0	0	113	W73 V156 K157 L158 F166	W73-N160 VanDerWaalsContact CH2-OD1 3.27Å; W73-N160 WeakPolarHBondContact CH2-OD1 3.23Å; W73-N160 HydrophobicContact CZ2-CB 4.44Å; W73-N160 WeakPolarHBondContact CZ2-OD1 3.44Å; V156-N160 VanDerWaalsContact O-CB 3.31Å; V156-N160 WeakPolarHBondContact O-CB 3.49Å; V156-N160 PolarHBondContact O-N 3.35Å; K157-N160 PolarHBondContact O-N 3Å; L158-N160 VanDerWaalsContact C-N 3.29Å; L158-N160 PolarHBondContact O-N 3.41Å; N160-F166 HydrophobicContact CB-CD1 3.8Å; N160-F166 HydrophobicContact CB-CE1 4.34Å
161	K	93.9	Very high	95.3	Very high	160 Å²	160	41.5 Å²	41.5	70%	0.696	21%	0.213	S	C	*	.	H	α-helix	trans	-72.8	-43	173.4	-174.9	-168.8	173.5	-163.1	0	111.4	K157 L158 L159 C163	K157-K161 PolarHBondContact O-N 2.71Å; K157-K161 VanDerWaalsContact O-N 3.08Å; L158-K161 WeakPolarHBondContact O-CA 3.42Å; L158-K161 WeakPolarHBondContact O-CB 3.41Å; L158-K161 PolarHBondContact O-N 2.84Å; L159-K161 VanDerWaalsContact C-N 3.28Å; L159-K161 PolarHBondContact O-N 3.46Å; K161-C163 VanDerWaalsContact C-N 3.34Å; K161-C163 PolarHBondContact O-N 3.14Å
162	C	91.5	Very high	95.2	Very high	23 Å²	23	44.8 Å²	44.8	16%	0.155	24%	0.236	C	C	.	.	H	α-helix	trans	-71.5	-23.8	179.7	-62.7	0	0	0	0	113.8	F96 P98 E102 L158 L159	F96-C162 HydrophobicContact CD2-CB 3.95Å; F96-C162 WeakPolarHBondContact CD2-O 3.16Å; F96-C162 HydrophobicContact CE2-CB 3.79Å; P98-C162 HydrophobicContact CB-CB 4.24Å; E102-C162 PolarHBondContact OE2-SG 2.89Å; L158-C162 PolarHBondContact O-N 3.21Å; L158-C162 PolarHBondContact O-SG 3.22Å; L159-C162 PolarHBondContact O-N 2.88Å
163	C	91.3	Very high	95	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.014	24%	0.243	C	C	.	.			trans	-142.3	109.2	-177.5	-166.6	0	0	0	0	113.7	F87 F96 L159 K161 L165 F166	F87-C163 HydrophobicContact CE1-CB 3.93Å; F87-C163 HydrophobicContact CZ-CB 4.41Å; F87-C163 VanDerWaalsContact CZ-SG 3.59Å; F96-C163 HydrophobicContact CB-CB 3.95Å; F96-C163 HydrophobicContact CD1-CB 3.83Å; F96-C163 HydrophobicContact CD2-CB 3.75Å; F96-C163 HydrophobicContact CE1-CB 4.24Å; F96-C163 HydrophobicContact CE2-CB 4.16Å; F96-C163 HydrophobicContact CG-CB 3.58Å; F96-C163 HydrophobicContact CZ-CB 4.39Å; L159-C163 PolarHBondContact O-N 3.31Å; K161-C163 VanDerWaalsContact C-N 3.34Å; K161-C163 PolarHBondContact O-N 3.14Å; C163-L165 PolarHBondContact O-N 3.48Å; C163-F166 HydrophobicContact CB-CB 4.46Å; C163-F166 WeakPolarHBondContact O-CB 3.23Å; C163-F166 PolarHBondContact O-N 3.12Å
164	N	91.3	Very high	94.8	Very high	133 Å²	133	49.9 Å²	49.9	71%	0.711	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-22	173.2	65.5	-14.9	0	0	0	114.1	F166 P168	N164-F166 VanDerWaalsContact C-N 3.29Å; N164-F166 PolarHBondContact O-N 3.28Å; N164-P168 WeakPolarHBondContact O-CD 3.4Å
165	L	93.1	Very high	94.6	Very high	87 Å²	87	51.2 Å²	51.2	46%	0.455	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-11.1	175.4	-59.8	179.2	0	0	0	113.5	F87 A95 C163 Y169	F87-L165 HydrophobicContact CZ-CB 4.12Å; A95-L165 HydrophobicContact CB-CD1 4.31Å; C163-L165 PolarHBondContact O-N 3.48Å; L165-Y169 WeakPolarHBondContact O-CB 3.31Å; L165-Y169 PolarHBondContact O-N 3.22Å
166	F	95.3	Very high	94.4	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-67.6	-40	175.5	178.8	-114.6	0	0	0	111.8	W73 A84 F87 V156 L159 N160 C163 N164 Y169 V170	W73-F166 HydrophobicContact CZ2-CE1 4.43Å; A84-F166 HydrophobicContact CB-CE2 3.92Å; A84-F166 HydrophobicContact CB-CZ 3.67Å; F87-F166 HydrophobicContact CB-CD2 4Å; F87-F166 HydrophobicContact CB-CE2 4.25Å; F87-F166 HydrophobicContact CD1-CB 4.24Å; F87-F166 AromaticContact CD1-CD2 3.84Å; F87-F166 HydrophobicContact CD1-CD2 3.84Å; F87-F166 HydrophobicContact CD1-CG 4.44Å; F87-F166 HydrophobicContact CD2-CD2 4.19Å; F87-F166 HydrophobicContact CE1-CB 3.92Å; F87-F166 HydrophobicContact CE1-CD2 4.35Å; F87-F166 AromaticContact CG-CD2 3.75Å; F87-F166 HydrophobicContact CG-CD2 3.75Å; F87-F166 HydrophobicContact CG-CE2 4.48Å; F87-F166 HydrophobicContact CZ-CB 4.09Å; V156-F166 HydrophobicContact CG1-CE1 4.04Å; V156-F166 HydrophobicContact CG1-CZ 4.41Å; L159-F166 HydrophobicContact CD2-CD2 3.82Å; L159-F166 HydrophobicContact CD2-CE2 3.89Å; L159-F166 HydrophobicContact CD2-CG 4.16Å; L159-F166 HydrophobicContact CD2-CZ 4.24Å; L159-F166 HydrophobicContact CG-CD2 4.39Å; L159-F166 HydrophobicContact CG-CG 4.26Å; N160-F166 HydrophobicContact CB-CD1 3.8Å; N160-F166 HydrophobicContact CB-CE1 4.34Å; C163-F166 HydrophobicContact CB-CB 4.46Å; C163-F166 WeakPolarHBondContact O-CB 3.23Å; C163-F166 PolarHBondContact O-N 3.12Å; N164-F166 VanDerWaalsContact C-N 3.29Å; N164-F166 PolarHBondContact O-N 3.28Å; F166-Y169 HydrophobicContact CD2-CD1 4.14Å; F166-Y169 HydrophobicContact CE2-CD1 4.2Å; F166-Y169 WeakPolarHBondContact O-CB 3.5Å; F166-Y169 PolarHBondContact O-N 3Å; F166-V170 HydrophobicContact CD1-CG2 4.41Å; F166-V170 HydrophobicContact CD2-CG2 4.06Å; F166-V170 HydrophobicContact CE1-CG2 3.86Å; F166-V170 HydrophobicContact CE2-CG2 3.42Å; F166-V170 VanDerWaalsContact CE2-CG2 3.42Å; F166-V170 HydrophobicContact CZ-CG2 3.32Å; F166-V170 PolarHBondContact O-N 3Å
167	A	94.5	Very high	94	Very high	26 Å²	26	59.8 Å²	59.8	22%	0.215	30%	0.3	C	S	.	.	H	α-helix	trans	-63.2	-49.5	-179.3	0	0	0	0	0	113.2	W73 Y169 V170 I171	W73-A167 HydrophobicContact CH2-CB 3.61Å; W73-A167 HydrophobicContact CZ3-CB 3.86Å; A167-Y169 VanDerWaalsContact C-N 3.28Å; A167-Y169 PolarHBondContact O-N 3.05Å; A167-V170 PolarHBondContact O-N 3.06Å; A167-I171 WeakPolarHBondContact O-CD1 3.44Å; A167-I171 VanDerWaalsContact O-CG1 3.32Å; A167-I171 WeakPolarHBondContact O-CG1 3.47Å; A167-I171 PolarHBondContact O-N 2.95Å
168	P	95.1	Very high	93.8	Very high	74 Å²	74	59.2 Å²	59.2	48%	0.481	30%	0.299	S	S	.	.	H	α-helix	trans	-58.6	-35.4	171	-25.7	35.1	0	0	0	113.8	N164 I171 S172	N164-P168 WeakPolarHBondContact O-CD 3.4Å; P168-I171 PolarHBondContact O-N 2.78Å; P168-S172 WeakPolarHBondContact O-CB 3.36Å; P168-S172 PolarHBondContact O-N 3.12Å
169	Y	95.1	Very high	93.6	Very high	37 Å²	37	61.7 Å²	61.7	15%	0.145	31%	0.31	C	S	.	.	H	α-helix	trans	-63.6	-45.8	178.3	168.3	-91.3	0	0	0	112.2	L83 F87 L165 F166 A167 S172 H173	L83-Y169 HydrophobicContact CB-CE1 4.24Å; L83-Y169 HydrophobicContact CD2-CE1 4.43Å; F87-Y169 HydrophobicContact CB-CD1 4.11Å; F87-Y169 HydrophobicContact CB-CE1 3.8Å; F87-Y169 AromaticContact CD2-CD1 3.6Å; F87-Y169 HydrophobicContact CD2-CD1 3.6Å; F87-Y169 AromaticContact CD2-CD2 3.72Å; F87-Y169 HydrophobicContact CD2-CD2 3.72Å; F87-Y169 HydrophobicContact CD2-CE1 4.02Å; F87-Y169 HydrophobicContact CD2-CE2 4.08Å; F87-Y169 AromaticContact CD2-CG 3.45Å; F87-Y169 HydrophobicContact CD2-CG 3.45Å; F87-Y169 VanDerWaalsContact CD2-CG 3.45Å; F87-Y169 HydrophobicContact CE2-CD1 4.41Å; F87-Y169 HydrophobicContact CE2-CD2 4.25Å; F87-Y169 AromaticContact CE2-CG 3.93Å; F87-Y169 HydrophobicContact CE2-CG 3.93Å; F87-Y169 HydrophobicContact CG-CD1 4.19Å; F87-Y169 HydrophobicContact CG-CE1 4.35Å; F87-Y169 HydrophobicContact CG-CG 4.45Å; L165-Y169 WeakPolarHBondContact O-CB 3.31Å; L165-Y169 PolarHBondContact O-N 3.22Å; F166-Y169 HydrophobicContact CD2-CD1 4.14Å; F166-Y169 HydrophobicContact CE2-CD1 4.2Å; F166-Y169 WeakPolarHBondContact O-CB 3.5Å; F166-Y169 PolarHBondContact O-N 3Å; A167-Y169 VanDerWaalsContact C-N 3.28Å; A167-Y169 PolarHBondContact O-N 3.05Å; Y169-S172 PolarHBondContact O-N 2.97Å; Y169-H173 AromaticContact CD2-CE1 3.68Å; Y169-H173 AromaticContact CE1-CE1 3.99Å; Y169-H173 AromaticContact CE2-CE1 3.22Å; Y169-H173 WeakPolarHBondContact CE2-CE1 3.39Å; Y169-H173 AromaticContact CE2-ND1 3.96Å; Y169-H173 AromaticContact CZ-CE1 3.39Å; Y169-H173 AromaticContact CZ-ND1 3.99Å; Y169-H173 AromaticContact CZ-NE2 3.88Å; Y169-H173 PolarHBondContact O-N 3.37Å; Y169-H173 PolarHBondContact O-ND1 3.46Å
170	V	96.3	Very high	93.4	Very high	0 Å²	0	67 Å²	67	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-66.7	-43.5	176.1	178.8	0	0	0	0	111.1	W73 F75 L80 F166 A167 S172 H173 R174	W73-V170 HydrophobicContact CB-CG1 4.21Å; W73-V170 HydrophobicContact CD2-CG1 4.19Å; W73-V170 HydrophobicContact CE3-CB 3.85Å; W73-V170 HydrophobicContact CE3-CG1 3.61Å; W73-V170 HydrophobicContact CE3-CG2 4.44Å; W73-V170 HydrophobicContact CG-CG1 4.47Å; W73-V170 HydrophobicContact CZ3-CB 4.04Å; W73-V170 HydrophobicContact CZ3-CG1 4.32Å; F75-V170 HydrophobicContact CD2-CG1 3.76Å; F75-V170 HydrophobicContact CE2-CG1 3.71Å; L80-V170 HydrophobicContact CD1-CG1 3.84Å; L80-V170 HydrophobicContact CD1-CG2 4.19Å; F166-V170 HydrophobicContact CD1-CG2 4.41Å; F166-V170 HydrophobicContact CD2-CG2 4.06Å; F166-V170 HydrophobicContact CE1-CG2 3.86Å; F166-V170 HydrophobicContact CE2-CG2 3.42Å; F166-V170 VanDerWaalsContact CE2-CG2 3.42Å; F166-V170 HydrophobicContact CZ-CG2 3.32Å; F166-V170 PolarHBondContact O-N 3Å; A167-V170 PolarHBondContact O-N 3.06Å; V170-S172 VanDerWaalsContact C-N 3.3Å; V170-S172 PolarHBondContact O-N 3.46Å; V170-H173 PolarHBondContact O-N 3.11Å; V170-R174 PolarHBondContact O-N 3.36Å
171	I	95.1	Very high	93.3	Very high	78 Å²	78	69.4 Å²	69.4	40%	0.4	34%	0.344	S	S	.	.	H	α-helix	trans	-58.7	-42.1	176.7	-69.4	162.3	0	0	0	111.1	A167 P168 H173 R174 I175	A167-I171 WeakPolarHBondContact O-CD1 3.44Å; A167-I171 VanDerWaalsContact O-CG1 3.32Å; A167-I171 WeakPolarHBondContact O-CG1 3.47Å; A167-I171 PolarHBondContact O-N 2.95Å; P168-I171 PolarHBondContact O-N 2.78Å; I171-H173 PolarHBondContact O-N 2.87Å; I171-R174 WeakPolarHBondContact O-CB 3.19Å; I171-R174 PolarHBondContact O-N 2.96Å; I171-I175 HydrophobicContact CG2-CD1 3.84Å; I171-I175 WeakPolarHBondContact O-CG1 3.48Å; I171-I175 PolarHBondContact O-N 2.68Å
172	S	95.4	Very high	93.4	Very high	68 Å²	68	68.1 Å²	68.1	48%	0.476	34%	0.335	S	S	.	.	H	α-helix	trans	-61	-43.1	176.4	-168.5	0	0	0	0	112.5	P168 Y169 V170 R174 I175 E176	P168-S172 WeakPolarHBondContact O-CB 3.36Å; P168-S172 PolarHBondContact O-N 3.12Å; Y169-S172 PolarHBondContact O-N 2.97Å; V170-S172 VanDerWaalsContact C-N 3.3Å; V170-S172 PolarHBondContact O-N 3.46Å; S172-R174 VanDerWaalsContact C-N 3.28Å; S172-R174 PolarHBondContact O-N 3.31Å; S172-I175 PolarHBondContact O-N 3.03Å; S172-E176 WeakPolarHBondContact O-CB 3.22Å; S172-E176 PolarHBondContact O-N 3.18Å
173	H	94.1	Very high	93.5	Very high	46 Å²	46	72.1 Å²	72.1	21%	0.213	35%	0.35	C	S	.	.	H	α-helix	trans	-66.8	-31.7	176.8	-74.9	69.1	0	0	0	111.8	F75 L83 Y169 V170 I171 R177	F75-H173 HydrophobicContact CZ-CB 3.96Å; L83-H173 HydrophobicContact CD1-CB 4.23Å; Y169-H173 AromaticContact CD2-CE1 3.68Å; Y169-H173 AromaticContact CE1-CE1 3.99Å; Y169-H173 AromaticContact CE2-CE1 3.22Å; Y169-H173 WeakPolarHBondContact CE2-CE1 3.39Å; Y169-H173 AromaticContact CE2-ND1 3.96Å; Y169-H173 AromaticContact CZ-CE1 3.39Å; Y169-H173 AromaticContact CZ-ND1 3.99Å; Y169-H173 AromaticContact CZ-NE2 3.88Å; Y169-H173 PolarHBondContact O-N 3.37Å; Y169-H173 PolarHBondContact O-ND1 3.46Å; V170-H173 PolarHBondContact O-N 3.11Å; I171-H173 PolarHBondContact O-N 2.87Å; H173-R177 WeakPolarHBondContact O-CB 3.3Å; H173-R177 PolarHBondContact O-N 2.91Å
174	R	93.8	Very high	93.7	Very high	79 Å²	79	80.3 Å²	80.3	30%	0.298	38%	0.381	S	S	.	.	H	α-helix	trans	-67.3	-48.4	176.8	-149.6	-172	72.7	-151.1	-2.4	111.3	W73 F75 V170 I171 S172 E176 R177 E178	W73-R174 VanDerWaalsContact O-CD 3.26Å; W73-R174 WeakPolarHBondContact O-CD 3.44Å; F75-R174 HydrophobicContact CD2-CG 4.48Å; F75-R174 HydrophobicContact CE2-CB 3.7Å; F75-R174 HydrophobicContact CE2-CG 3.86Å; F75-R174 HydrophobicContact CZ-CB 4.04Å; F75-R174 HydrophobicContact CZ-CG 4.23Å; V170-R174 PolarHBondContact O-N 3.36Å; I171-R174 WeakPolarHBondContact O-CB 3.19Å; I171-R174 PolarHBondContact O-N 2.96Å; S172-R174 VanDerWaalsContact C-N 3.28Å; S172-R174 PolarHBondContact O-N 3.31Å; R174-E176 VanDerWaalsContact C-N 3.33Å; R174-E176 PolarHBondContact O-N 3.06Å; R174-R177 PolarHBondContact O-N 3.37Å; R174-E178 WeakPolarHBondContact CD-OE1 3.36Å; R174-E178 WeakPolarHBondContact CG-OE1 3.48Å; R174-E178 IonicContact CZ-OE1 2.69Å; R174-E178 IonicContact NE-OE1 2.69Å; R174-E178 PolarHBondContact NE-OE1 2.98Å; R174-E178 IonicContact NH2-OE1 3.67Å; R174-E178 WeakPolarHBondContact O-CB 3.45Å; R174-E178 VanDerWaalsContact O-CG 3.27Å; R174-E178 WeakPolarHBondContact O-CG 2.82Å; R174-E178 PolarHBondContact O-N 2.9Å
175	I	93.5	Very high	93.9	Very high	91 Å²	91	79.7 Å²	79.7	47%	0.467	37%	0.372	S	S	.	.	H	α-helix	trans	-60.8	-43.1	177.4	-65.7	165.6	0	0	0	110.6	I171 S172 E178 E179	I171-I175 HydrophobicContact CG2-CD1 3.84Å; I171-I175 WeakPolarHBondContact O-CG1 3.48Å; I171-I175 PolarHBondContact O-N 2.68Å; S172-I175 PolarHBondContact O-N 3.03Å; I175-E178 PolarHBondContact O-N 3.22Å; I175-E179 WeakPolarHBondContact O-CB 3.34Å; I175-E179 PolarHBondContact O-N 3.42Å
176	E	92.3	Very high	94	Very high	96 Å²	96	80.2 Å²	80.2	45%	0.449	37%	0.372	S	S	.	.	H	α-helix	trans	-61.2	-44.5	176.8	-177.5	175.8	-175.9	0	0	111.9	S172 R174 E179 Q180	S172-E176 WeakPolarHBondContact O-CB 3.22Å; S172-E176 PolarHBondContact O-N 3.18Å; R174-E176 VanDerWaalsContact C-N 3.33Å; R174-E176 PolarHBondContact O-N 3.06Å; E176-E179 PolarHBondContact O-N 3.24Å; E176-Q180 VanDerWaalsContact O-CG 3.28Å; E176-Q180 WeakPolarHBondContact O-CG 3.42Å; E176-Q180 PolarHBondContact O-N 2.96Å; E176-Q180 PolarHBondContact OE1-NE2 2.88Å
177	R	89.4	Confident	93.9	Very high	84 Å²	84	84.9 Å²	84.9	32%	0.317	39%	0.394	S	S	.	.	H	α-helix	trans	-64.9	-44.3	176.5	-169.4	-175.2	66.9	-168.6	-6.4	112.1	G74 E79 H173 R174 E179 Q180 E181	G74-R177 PolarHBondContact O-NH2 3.48Å; E79-R177 IonicContact OE2-NH1 2.75Å; E79-R177 PolarHBondContact OE2-NH1 2.95Å; H173-R177 WeakPolarHBondContact O-CB 3.3Å; H173-R177 PolarHBondContact O-N 2.91Å; R174-R177 PolarHBondContact O-N 3.37Å; R177-E179 VanDerWaalsContact C-N 3.31Å; R177-E179 PolarHBondContact O-N 3.34Å; R177-Q180 PolarHBondContact O-N 3.5Å; R177-E181 PolarHBondContact O-N 3.49Å
178	E	92.2	Very high	94	Very high	88 Å²	88	89.4 Å²	89.4	41%	0.411	41%	0.41	S	S	.	.	H	α-helix	trans	-59.9	-40.3	175.7	-72.5	164.5	-164.2	0	0	111.3	R174 I175 R182	R174-E178 WeakPolarHBondContact CD-OE1 3.36Å; R174-E178 WeakPolarHBondContact CG-OE1 3.48Å; R174-E178 IonicContact CZ-OE1 2.69Å; R174-E178 IonicContact NE-OE1 2.69Å; R174-E178 PolarHBondContact NE-OE1 2.98Å; R174-E178 IonicContact NH2-OE1 3.67Å; R174-E178 WeakPolarHBondContact O-CB 3.45Å; R174-E178 VanDerWaalsContact O-CG 3.27Å; R174-E178 WeakPolarHBondContact O-CG 2.82Å; R174-E178 PolarHBondContact O-N 2.9Å; I175-E178 PolarHBondContact O-N 3.22Å; E178-R182 WeakPolarHBondContact O-CB 3.4Å; E178-R182 PolarHBondContact O-N 3.39Å
179	E	93.4	Very high	94	Very high	76 Å²	76	91.6 Å²	91.6	36%	0.355	41%	0.414	S	S	.	.	H	α-helix	trans	-69.8	-40.9	176.3	-170.2	-177.2	177.4	0	0	112.7	I175 E176 R177 R182 K183	I175-E179 WeakPolarHBondContact O-CB 3.34Å; I175-E179 PolarHBondContact O-N 3.42Å; E176-E179 PolarHBondContact O-N 3.24Å; R177-E179 VanDerWaalsContact C-N 3.31Å; R177-E179 PolarHBondContact O-N 3.34Å; E179-R182 PolarHBondContact O-N 2.7Å; E179-K183 HydrophobicContact CG-CD 4.3Å; E179-K183 WeakPolarHBondContact O-CG 3.16Å; E179-K183 PolarHBondContact O-N 2.85Å; E179-K183 WeakPolarHBondContact OE1-CE 3.41Å; E179-K183 IonicContact OE1-NZ 2.96Å; E179-K183 PolarHBondContact OE1-NZ 3.34Å; E179-K183 IonicContact OE2-NZ 2.68Å
180	Q	91.3	Very high	94.1	Very high	111 Å²	111	95.8 Å²	95.8	52%	0.519	43%	0.43	S	S	.	.	H	α-helix	trans	-62.8	-43.2	175.4	-73.2	175.4	17.1	0	0	111.6	E176 R177 K183 R184	E176-Q180 VanDerWaalsContact O-CG 3.28Å; E176-Q180 WeakPolarHBondContact O-CG 3.42Å; E176-Q180 PolarHBondContact O-N 2.96Å; E176-Q180 PolarHBondContact OE1-NE2 2.88Å; R177-Q180 PolarHBondContact O-N 3.5Å; Q180-K183 PolarHBondContact O-N 2.99Å; Q180-R184 PolarHBondContact O-N 3.18Å
181	E	92.1	Very high	94.1	Very high	98 Å²	98	100.4 Å²	100.4	46%	0.458	45%	0.454	S	S	.	.	H	α-helix	trans	-64.5	-41.3	176.9	-166.4	-171.8	153.1	0	0	111.7	R177 R184 K185	R177-E181 PolarHBondContact O-N 3.49Å; E181-R184 PolarHBondContact O-N 3.01Å; E181-K185 WeakPolarHBondContact O-CG 3.27Å; E181-K185 PolarHBondContact O-N 3.2Å; E181-K185 VanDerWaalsContact O-N 3.12Å; E181-K185 VanDerWaalsContact OE1-CE 3.23Å; E181-K185 WeakPolarHBondContact OE1-CE 3.42Å; E181-K185 IonicContact OE1-NZ 3.23Å; E181-K185 PolarHBondContact OE1-NZ 2.9Å
182	R	95.1	Very high	94.2	Very high	134 Å²	134	104.4 Å²	104.4	51%	0.506	46%	0.464	S	S	.	.	H	α-helix	trans	-60.2	-50.9	173.8	-177.9	-175.7	62.9	-177.7	-4.9	111.5	E178 E179 R184 K185 E186	E178-R182 WeakPolarHBondContact O-CB 3.4Å; E178-R182 PolarHBondContact O-N 3.39Å; E179-R182 PolarHBondContact O-N 2.7Å; R182-R184 VanDerWaalsContact C-N 3.27Å; R182-R184 PolarHBondContact O-N 3.13Å; R182-K185 PolarHBondContact O-N 3.47Å; R182-E186 VanDerWaalsContact CD-OE1 3.26Å; R182-E186 WeakPolarHBondContact CD-OE1 3.38Å; R182-E186 HydrophobicContact CG-CG 4.25Å; R182-E186 VanDerWaalsContact CG-OE1 3.24Å; R182-E186 WeakPolarHBondContact CG-OE1 3.47Å; R182-E186 IonicContact NE-OE1 3.69Å; R182-E186 WeakPolarHBondContact O-CG 3.26Å; R182-E186 PolarHBondContact O-N 3.39Å
183	K	94.6	Very high	94.2	Very high	106 Å²	106	106.5 Å²	106.5	46%	0.461	47%	0.466	S	S	.	.	H	α-helix	trans	-57.7	-39.9	179.4	-76.6	171.1	-178.2	163.9	0	112.2	E179 Q180 E186 E187	E179-K183 HydrophobicContact CG-CD 4.3Å; E179-K183 WeakPolarHBondContact O-CG 3.16Å; E179-K183 PolarHBondContact O-N 2.85Å; E179-K183 WeakPolarHBondContact OE1-CE 3.41Å; E179-K183 IonicContact OE1-NZ 2.96Å; E179-K183 PolarHBondContact OE1-NZ 3.34Å; E179-K183 IonicContact OE2-NZ 2.68Å; Q180-K183 PolarHBondContact O-N 2.99Å; K183-E186 PolarHBondContact O-N 3.47Å; K183-E187 WeakPolarHBondContact O-CB 3.49Å; K183-E187 PolarHBondContact O-N 3.39Å
184	R	94.1	Very high	94.3	Very high	175 Å²	175	108.8 Å²	108.8	66%	0.66	48%	0.477	S	S	*	.	H	α-helix	trans	-61.7	-43.6	174.7	179.3	179.7	164.3	-177.8	-3.7	111.9	Q180 E181 R182 E187 E188	Q180-R184 PolarHBondContact O-N 3.18Å; E181-R184 PolarHBondContact O-N 3.01Å; R182-R184 VanDerWaalsContact C-N 3.27Å; R182-R184 PolarHBondContact O-N 3.13Å; R184-E187 PolarHBondContact O-N 2.89Å; R184-E188 IonicContact NE-OE2 3.45Å; R184-E188 WeakPolarHBondContact O-CB 3.32Å; R184-E188 PolarHBondContact O-N 2.9Å
185	K	95.3	Very high	94.4	Very high	119 Å²	119	110.9 Å²	110.9	52%	0.517	49%	0.49	S	S	.	.	H	α-helix	trans	-66.8	-42.1	177.2	-69.3	172.2	-174.9	170.7	0	112.2	E181 R182 E187 E188 E189	E181-K185 WeakPolarHBondContact O-CG 3.27Å; E181-K185 PolarHBondContact O-N 3.2Å; E181-K185 VanDerWaalsContact O-N 3.12Å; E181-K185 VanDerWaalsContact OE1-CE 3.23Å; E181-K185 WeakPolarHBondContact OE1-CE 3.42Å; E181-K185 IonicContact OE1-NZ 3.23Å; E181-K185 PolarHBondContact OE1-NZ 2.9Å; R182-K185 PolarHBondContact O-N 3.47Å; K185-E187 PolarHBondContact O-N 2.87Å; K185-E188 PolarHBondContact O-N 2.86Å; K185-E189 WeakPolarHBondContact O-CB 3.49Å; K185-E189 PolarHBondContact O-N 2.63Å
186	E	95.4	Very high	94.6	Very high	98 Å²	98	109.8 Å²	109.8	46%	0.458	48%	0.483	S	S	.	.	H	α-helix	trans	-62.8	-27.7	174	-69.3	168	173.7	0	0	112.6	R182 K183 R190	R182-E186 VanDerWaalsContact CD-OE1 3.26Å; R182-E186 WeakPolarHBondContact CD-OE1 3.38Å; R182-E186 HydrophobicContact CG-CG 4.25Å; R182-E186 VanDerWaalsContact CG-OE1 3.24Å; R182-E186 WeakPolarHBondContact CG-OE1 3.47Å; R182-E186 IonicContact NE-OE1 3.69Å; R182-E186 WeakPolarHBondContact O-CG 3.26Å; R182-E186 PolarHBondContact O-N 3.39Å; K183-E186 PolarHBondContact O-N 3.47Å; E186-R190 WeakPolarHBondContact O-CB 3.5Å; E186-R190 PolarHBondContact O-N 3.33Å; E186-R190 PolarHBondContact O-NH1 3.47Å
187	E	94.9	Very high	94.7	Very high	99 Å²	99	110.6 Å²	110.6	46%	0.463	49%	0.487	S	S	.	.	H	α-helix	trans	-80.6	-44.4	173	177.6	149.2	-105.8	0	0	113.2	K183 R184 K185 R190 L191	K183-E187 WeakPolarHBondContact O-CB 3.49Å; K183-E187 PolarHBondContact O-N 3.39Å; R184-E187 PolarHBondContact O-N 2.89Å; K185-E187 PolarHBondContact O-N 2.87Å; E187-R190 PolarHBondContact O-N 3.29Å; E187-R190 IonicContact OE1-NH2 2.78Å; E187-R190 PolarHBondContact OE1-NH2 2.85Å; E187-L191 HydrophobicContact CG-CD1 4.02Å; E187-L191 WeakPolarHBondContact O-CB 3.2Å; E187-L191 VanDerWaalsContact O-CG 3.32Å; E187-L191 WeakPolarHBondContact O-CG 3.34Å; E187-L191 PolarHBondContact O-N 3.09Å
188	E	95.6	Very high	95.1	Very high	120 Å²	120	112.1 Å²	112.1	56%	0.561	49%	0.493	S	S	*	.	H	α-helix	trans	-62.7	-42	176.6	-165.5	172.2	144.4	0	0	111.4	R184 K185 R192	R184-E188 IonicContact NE-OE2 3.45Å; R184-E188 WeakPolarHBondContact O-CB 3.32Å; R184-E188 PolarHBondContact O-N 2.9Å; K185-E188 PolarHBondContact O-N 2.86Å; E188-R192 WeakPolarHBondContact O-CB 3.43Å; E188-R192 PolarHBondContact O-N 2.9Å
189	E	96.2	Very high	95.3	Very high	121 Å²	121	112.2 Å²	112.2	57%	0.565	49%	0.493	S	S	*	.	H	α-helix	trans	-66.3	-43.6	174	-169.7	-179	166.9	0	0	111.9	K185 R192 Q193	K185-E189 WeakPolarHBondContact O-CB 3.49Å; K185-E189 PolarHBondContact O-N 2.63Å; E189-R192 PolarHBondContact O-N 2.91Å; E189-Q193 HydrophobicContact CG-CG 4.5Å; E189-Q193 WeakPolarHBondContact O-CG 3.31Å; E189-Q193 PolarHBondContact O-N 3.07Å; E189-Q193 PolarHBondContact OE1-NE2 3.28Å
190	R	96.6	Very high	95.4	Very high	125 Å²	125	116.1 Å²	116.1	47%	0.472	50%	0.504	S	S	.	.	H	α-helix	trans	-61.8	-44.8	177.6	179.1	178	67.4	-106.5	6.1	112.2	E186 E187 R192 Q193 E194	E186-R190 WeakPolarHBondContact O-CB 3.5Å; E186-R190 PolarHBondContact O-N 3.33Å; E186-R190 PolarHBondContact O-NH1 3.47Å; E187-R190 PolarHBondContact O-N 3.29Å; E187-R190 IonicContact OE1-NH2 2.78Å; E187-R190 PolarHBondContact OE1-NH2 2.85Å; R190-R192 VanDerWaalsContact C-N 3.32Å; R190-R192 PolarHBondContact O-N 2.82Å; R190-Q193 PolarHBondContact O-N 3.49Å; R190-E194 PolarHBondContact O-N 2.92Å
191	L	96.7	Very high	95.7	Very high	97 Å²	97	115.5 Å²	115.5	51%	0.508	50%	0.502	S	S	.	.	H	α-helix	trans	-62.7	-40.3	176.9	-74.4	168.6	0	0	0	111.4	E187 E194 E195	E187-L191 HydrophobicContact CG-CD1 4.02Å; E187-L191 WeakPolarHBondContact O-CB 3.2Å; E187-L191 VanDerWaalsContact O-CG 3.32Å; E187-L191 WeakPolarHBondContact O-CG 3.34Å; E187-L191 PolarHBondContact O-N 3.09Å; L191-E194 PolarHBondContact O-N 3.16Å; L191-E195 WeakPolarHBondContact O-CB 3.41Å; L191-E195 PolarHBondContact O-N 3.29Å
192	R	96.4	Very high	95.9	Very high	161 Å²	161	116.8 Å²	116.8	61%	0.608	50%	0.502	S	S	*	.	H	α-helix	trans	-64.2	-43.9	174	179.4	-178.6	166.7	167.2	0.3	112.3	E188 E189 R190 E194 E195 E196	E188-R192 WeakPolarHBondContact O-CB 3.43Å; E188-R192 PolarHBondContact O-N 2.9Å; E189-R192 PolarHBondContact O-N 2.91Å; R190-R192 VanDerWaalsContact C-N 3.32Å; R190-R192 PolarHBondContact O-N 2.82Å; R192-E194 VanDerWaalsContact C-N 3.33Å; R192-E194 PolarHBondContact O-N 3.41Å; R192-E195 PolarHBondContact O-N 3.48Å; R192-E196 HydrophobicContact CG-CG 4.48Å; R192-E196 IonicContact CZ-OE1 2.72Å; R192-E196 VanDerWaalsContact CZ-OE1 3.29Å; R192-E196 IonicContact NE-OE1 3.07Å; R192-E196 PolarHBondContact NE-OE1 3.43Å; R192-E196 IonicContact NH2-OE1 3.97Å; R192-E196 PolarHBondContact NH2-OE1 3.3Å; R192-E196 WeakPolarHBondContact O-CB 3.33Å; R192-E196 WeakPolarHBondContact O-CG 3.37Å; R192-E196 PolarHBondContact O-N 2.93Å
193	Q	95.9	Very high	95.9	Very high	113 Å²	113	115.5 Å²	115.5	53%	0.528	50%	0.502	S	S	.	.	H	α-helix	trans	-62.1	-41.4	176.3	-71.8	177	14	0	0	111.1	E189 R190 E196 E197	E189-Q193 HydrophobicContact CG-CG 4.5Å; E189-Q193 WeakPolarHBondContact O-CG 3.31Å; E189-Q193 PolarHBondContact O-N 3.07Å; E189-Q193 PolarHBondContact OE1-NE2 3.28Å; R190-Q193 PolarHBondContact O-N 3.49Å; Q193-E196 PolarHBondContact O-N 2.86Å; Q193-E197 WeakPolarHBondContact O-CB 3.47Å; Q193-E197 PolarHBondContact O-N 2.75Å
194	E	96	Very high	96	Very high	93 Å²	93	116 Å²	116	44%	0.435	51%	0.506	S	S	.	.	H	α-helix	trans	-64.6	-38.7	175	-165.4	-171.4	161.4	0	0	112.2	R190 L191 R192 R198	R190-E194 PolarHBondContact O-N 2.92Å; L191-E194 PolarHBondContact O-N 3.16Å; R192-E194 VanDerWaalsContact C-N 3.33Å; R192-E194 PolarHBondContact O-N 3.41Å; E194-R198 WeakPolarHBondContact O-CB 3.36Å; E194-R198 PolarHBondContact O-N 2.9Å; E194-R198 IonicContact OE1-CZ 3.33Å; E194-R198 IonicContact OE1-NH2 2.95Å; E194-R198 PolarHBondContact OE1-NH2 3.17Å
195	E	96.1	Very high	96.1	Very high	123 Å²	123	112.6 Å²	112.6	58%	0.575	50%	0.498	S	S	*	.	H	α-helix	trans	-69	-44.1	175.6	-177.5	159.3	-132.1	0	0	112.5	L191 R192 E197 R198 E199	L191-E195 WeakPolarHBondContact O-CB 3.41Å; L191-E195 PolarHBondContact O-N 3.29Å; R192-E195 PolarHBondContact O-N 3.48Å; E195-E197 VanDerWaalsContact C-N 3.34Å; E195-E197 PolarHBondContact O-N 2.87Å; E195-R198 PolarHBondContact O-N 3.28Å; E195-E199 PolarHBondContact O-N 3.5Å
196	E	96.6	Very high	96.1	Very high	69 Å²	69	112.8 Å²	112.8	32%	0.322	50%	0.5	S	S	.	.	H	α-helix	trans	-63.2	-37.3	174.7	-74.6	-170.6	-154.3	0	0	111.9	R192 Q193 R200	R192-E196 HydrophobicContact CG-CG 4.48Å; R192-E196 IonicContact CZ-OE1 2.72Å; R192-E196 VanDerWaalsContact CZ-OE1 3.29Å; R192-E196 IonicContact NE-OE1 3.07Å; R192-E196 PolarHBondContact NE-OE1 3.43Å; R192-E196 IonicContact NH2-OE1 3.97Å; R192-E196 PolarHBondContact NH2-OE1 3.3Å; R192-E196 WeakPolarHBondContact O-CB 3.33Å; R192-E196 WeakPolarHBondContact O-CG 3.37Å; R192-E196 PolarHBondContact O-N 2.93Å; Q193-E196 PolarHBondContact O-N 2.86Å; E196-R200 VanDerWaalsContact O-CG 3.26Å; E196-R200 WeakPolarHBondContact O-CG 3.37Å; E196-R200 PolarHBondContact O-N 2.97Å; E196-R200 VanDerWaalsContact O-N 3.16Å; E196-R200 IonicContact OE2-NH2 3.17Å; E196-R200 PolarHBondContact OE2-NH2 3.23Å
197	E	95.9	Very high	96.1	Very high	113 Å²	113	113.7 Å²	113.7	53%	0.528	50%	0.503	S	S	.	.	H	α-helix	trans	-68.1	-47.5	173.6	-166.4	-171.4	153.1	0	0	111.2	Q193 E195 E199 R200 Q201	Q193-E197 WeakPolarHBondContact O-CB 3.47Å; Q193-E197 PolarHBondContact O-N 2.75Å; E195-E197 VanDerWaalsContact C-N 3.34Å; E195-E197 PolarHBondContact O-N 2.87Å; E197-E199 PolarHBondContact O-N 2.59Å; E197-R200 PolarHBondContact O-N 2.93Å; E197-R200 VanDerWaalsContact O-N 3.09Å; E197-Q201 WeakPolarHBondContact O-CG 3.06Å; E197-Q201 PolarHBondContact O-N 3.35Å; E197-Q201 PolarHBondContact OE1-NE2 2.98Å
198	R	96.6	Very high	96.2	Very high	115 Å²	115	114.1 Å²	114.1	43%	0.434	51%	0.505	S	S	.	.	H	α-helix	trans	-63.2	-29.6	179	-164.6	-172	-62	157.7	-4.8	112.1	E194 E195 R202	E194-R198 WeakPolarHBondContact O-CB 3.36Å; E194-R198 PolarHBondContact O-N 2.9Å; E194-R198 IonicContact OE1-CZ 3.33Å; E194-R198 IonicContact OE1-NH2 2.95Å; E194-R198 PolarHBondContact OE1-NH2 3.17Å; E195-R198 PolarHBondContact O-N 3.28Å; R198-R202 WeakPolarHBondContact O-CG 3.38Å; R198-R202 PolarHBondContact O-N 3.11Å
199	E	96.2	Very high	96.2	Very high	91 Å²	91	116 Å²	116	43%	0.425	51%	0.507	S	S	.	.	H	α-helix	trans	-70.5	-45.6	170.7	-160.4	-172.8	154.7	0	0	112.2	E195 E197 Q201 R202 Q203	E195-E199 PolarHBondContact O-N 3.5Å; E197-E199 PolarHBondContact O-N 2.59Å; E199-Q201 VanDerWaalsContact C-N 3.31Å; E199-Q201 PolarHBondContact O-N 3.37Å; E199-R202 PolarHBondContact O-N 3.32Å; E199-R202 VanDerWaalsContact O-N 3.13Å; E199-Q203 HydrophobicContact CG-CG 4.48Å; E199-Q203 WeakPolarHBondContact O-CG 3.36Å; E199-Q203 PolarHBondContact O-N 2.87Å; E199-Q203 PolarHBondContact OE1-NE2 3.33Å
200	R	96.8	Very high	96.3	Very high	157 Å²	157	115.1 Å²	115.1	59%	0.592	51%	0.505	S	S	*	.	H	α-helix	trans	-58.6	-42.8	175.5	-68.2	168.4	-156.9	-169.3	8.7	111.7	E196 E197 R202 Q203 E204	E196-R200 VanDerWaalsContact O-CG 3.26Å; E196-R200 WeakPolarHBondContact O-CG 3.37Å; E196-R200 PolarHBondContact O-N 2.97Å; E196-R200 VanDerWaalsContact O-N 3.16Å; E196-R200 IonicContact OE2-NH2 3.17Å; E196-R200 PolarHBondContact OE2-NH2 3.23Å; E197-R200 PolarHBondContact O-N 2.93Å; E197-R200 VanDerWaalsContact O-N 3.09Å; R200-R202 PolarHBondContact O-N 2.88Å; R200-Q203 PolarHBondContact O-N 3.31Å; R200-E204 WeakPolarHBondContact O-CB 3.24Å; R200-E204 PolarHBondContact O-N 2.8Å
201	Q	96.4	Very high	96.2	Very high	98 Å²	98	114.3 Å²	114.3	46%	0.458	51%	0.507	S	S	.	.	H	α-helix	trans	-59.1	-44.1	174.8	-69.5	174.9	8.7	0	0	111.7	E197 E199 E204 E205	E197-Q201 WeakPolarHBondContact O-CG 3.06Å; E197-Q201 PolarHBondContact O-N 3.35Å; E197-Q201 PolarHBondContact OE1-NE2 2.98Å; E199-Q201 VanDerWaalsContact C-N 3.31Å; E199-Q201 PolarHBondContact O-N 3.37Å; Q201-E204 PolarHBondContact O-N 2.88Å; Q201-E205 PolarHBondContact O-N 3.02Å
202	R	96.3	Very high	96.2	Very high	125 Å²	125	114.1 Å²	114.1	47%	0.472	50%	0.504	S	S	.	.	H	α-helix	trans	-63.5	-44.5	174.9	-72.8	-178.6	-58	-118.5	1.9	112.8	R198 E199 R200 E204 E205 E206	R198-R202 WeakPolarHBondContact O-CG 3.38Å; R198-R202 PolarHBondContact O-N 3.11Å; E199-R202 PolarHBondContact O-N 3.32Å; E199-R202 VanDerWaalsContact O-N 3.13Å; R200-R202 PolarHBondContact O-N 2.88Å; R202-E204 VanDerWaalsContact C-N 3.3Å; R202-E204 PolarHBondContact O-N 3.11Å; R202-E205 PolarHBondContact O-N 3.34Å; R202-E206 WeakPolarHBondContact O-CB 3.41Å; R202-E206 PolarHBondContact O-N 2.96Å
203	Q	96.3	Very high	96.1	Very high	107 Å²	107	112.8 Å²	112.8	50%	0.5	50%	0.504	S	S	.	.	H	α-helix	trans	-64.2	-36.2	178	-68.7	178.5	13	0	0	111.5	E199 R200 K207	E199-Q203 HydrophobicContact CG-CG 4.48Å; E199-Q203 WeakPolarHBondContact O-CG 3.36Å; E199-Q203 PolarHBondContact O-N 2.87Å; E199-Q203 PolarHBondContact OE1-NE2 3.33Å; R200-Q203 PolarHBondContact O-N 3.31Å; Q203-K207 VanDerWaalsContact O-CB 3.27Å; Q203-K207 WeakPolarHBondContact O-CB 3.26Å; Q203-K207 PolarHBondContact O-N 3.44Å
204	E	95.8	Very high	96.1	Very high	118 Å²	118	110.7 Å²	110.7	55%	0.551	50%	0.497	S	S	*	.	H	α-helix	trans	-70.9	-44.3	174.9	-167.6	175.1	170.3	0	0	112	R200 Q201 R202 E206 K207 Q208	R200-E204 WeakPolarHBondContact O-CB 3.24Å; R200-E204 PolarHBondContact O-N 2.8Å; Q201-E204 PolarHBondContact O-N 2.88Å; R202-E204 VanDerWaalsContact C-N 3.3Å; R202-E204 PolarHBondContact O-N 3.11Å; E204-E206 PolarHBondContact O-N 3.34Å; E204-K207 PolarHBondContact O-N 3.31Å; E204-Q208 HydrophobicContact CG-CG 4.49Å; E204-Q208 WeakPolarHBondContact O-CB 3.43Å; E204-Q208 VanDerWaalsContact O-CG 3.3Å; E204-Q208 WeakPolarHBondContact O-CG 3.38Å; E204-Q208 PolarHBondContact O-N 2.88Å; E204-Q208 PolarHBondContact OE1-NE2 2.91Å
205	E	95.8	Very high	96.1	Very high	102 Å²	102	111.5 Å²	111.5	48%	0.477	50%	0.496	S	S	.	.	H	α-helix	trans	-58.8	-45.3	172.5	-86.2	-162.5	-139.9	0	0	112.5	Q201 R202 Q208 R209	Q201-E205 PolarHBondContact O-N 3.02Å; R202-E205 PolarHBondContact O-N 3.34Å; E205-Q208 PolarHBondContact O-N 2.85Å; E205-R209 WeakPolarHBondContact O-CB 3.27Å; E205-R209 WeakPolarHBondContact O-CD 3.44Å; E205-R209 WeakPolarHBondContact O-CG 3.34Å; E205-R209 PolarHBondContact O-N 3.3Å; E205-R209 IonicContact OE2-CZ 2.71Å; E205-R209 IonicContact OE2-NE 3.12Å; E205-R209 IonicContact OE2-NH2 3.46Å; E205-R209 PolarHBondContact OE2-NH2 2.71Å
206	E	95.1	Very high	96.2	Very high	123 Å²	123	109.9 Å²	109.9	58%	0.575	49%	0.491	S	S	*	.	H	α-helix	trans	-62.6	-44	178.1	-176.2	172.6	-169	0	0	111	R202 E204 R209 L210	R202-E206 WeakPolarHBondContact O-CB 3.41Å; R202-E206 PolarHBondContact O-N 2.96Å; E204-E206 PolarHBondContact O-N 3.34Å; E206-R209 PolarHBondContact O-N 2.98Å; E206-L210 HydrophobicContact CG-CD1 4.22Å; E206-L210 WeakPolarHBondContact O-CG 3.29Å; E206-L210 PolarHBondContact O-N 2.66Å
207	K	96.3	Very high	96.2	Very high	118 Å²	118	113.9 Å²	113.9	51%	0.513	50%	0.503	S	S	.	.	H	α-helix	trans	-61.4	-46.6	174.6	-177.8	-173	164.5	-167.6	0	112	Q203 E204 R209 L210 E211	Q203-K207 VanDerWaalsContact O-CB 3.27Å; Q203-K207 WeakPolarHBondContact O-CB 3.26Å; Q203-K207 PolarHBondContact O-N 3.44Å; E204-K207 PolarHBondContact O-N 3.31Å; K207-R209 VanDerWaalsContact C-N 3.3Å; K207-R209 PolarHBondContact O-N 2.65Å; K207-L210 PolarHBondContact O-N 3.06Å; K207-E211 WeakPolarHBondContact CE-OE1 3.37Å; K207-E211 IonicContact NZ-OE1 2.71Å; K207-E211 PolarHBondContact NZ-OE1 3.25Å; K207-E211 WeakPolarHBondContact O-CG 3.36Å; K207-E211 PolarHBondContact O-N 3.38Å
208	Q	96.3	Very high	96.1	Very high	107 Å²	107	115 Å²	115	50%	0.5	50%	0.502	S	S	.	.	H	α-helix	trans	-61.8	-38.5	178.5	-73.3	178.8	20.1	0	0	111.5	E204 E205 E211 E212	E204-Q208 HydrophobicContact CG-CG 4.49Å; E204-Q208 WeakPolarHBondContact O-CB 3.43Å; E204-Q208 VanDerWaalsContact O-CG 3.3Å; E204-Q208 WeakPolarHBondContact O-CG 3.38Å; E204-Q208 PolarHBondContact O-N 2.88Å; E204-Q208 PolarHBondContact OE1-NE2 2.91Å; E205-Q208 PolarHBondContact O-N 2.85Å; Q208-E211 PolarHBondContact O-N 3.28Å; Q208-E212 WeakPolarHBondContact O-CB 3.26Å; Q208-E212 PolarHBondContact O-N 3.14Å
209	R	97.1	Very high	96	Very high	160 Å²	160	114.1 Å²	114.1	60%	0.604	50%	0.503	S	S	*	.	H	α-helix	trans	-63.7	-43.5	173.8	-70.2	162.7	-169.1	-81.1	-0.1	112.1	E205 E206 K207 E212 E213	E205-R209 WeakPolarHBondContact O-CB 3.27Å; E205-R209 WeakPolarHBondContact O-CD 3.44Å; E205-R209 WeakPolarHBondContact O-CG 3.34Å; E205-R209 PolarHBondContact O-N 3.3Å; E205-R209 IonicContact OE2-CZ 2.71Å; E205-R209 IonicContact OE2-NE 3.12Å; E205-R209 IonicContact OE2-NH2 3.46Å; E205-R209 PolarHBondContact OE2-NH2 2.71Å; E206-R209 PolarHBondContact O-N 2.98Å; K207-R209 VanDerWaalsContact C-N 3.3Å; K207-R209 PolarHBondContact O-N 2.65Å; R209-E212 PolarHBondContact O-N 3.33Å; R209-E213 WeakPolarHBondContact O-CB 3.46Å; R209-E213 PolarHBondContact O-N 3.07Å
210	L	96.8	Very high	96	Very high	102 Å²	102	114.8 Å²	114.8	53%	0.534	51%	0.506	S	S	.	.	H	α-helix	trans	-65.7	-41.2	176.8	-72.6	166.5	0	0	0	112.2	E206 K207 E212 E213 D214	E206-L210 HydrophobicContact CG-CD1 4.22Å; E206-L210 WeakPolarHBondContact O-CG 3.29Å; E206-L210 PolarHBondContact O-N 2.66Å; K207-L210 PolarHBondContact O-N 3.06Å; L210-E212 VanDerWaalsContact C-N 3.33Å; L210-E213 PolarHBondContact O-N 2.77Å; L210-D214 WeakPolarHBondContact O-CB 3.28Å; L210-D214 PolarHBondContact O-N 3.02Å
211	E	95.9	Very high	95.9	Very high	108 Å²	108	110.6 Å²	110.6	51%	0.505	49%	0.493	S	S	.	.	H	α-helix	trans	-66.2	-34.2	175.1	-72.7	-179.2	169.6	0	0	112	K207 Q208 R215	K207-E211 WeakPolarHBondContact CE-OE1 3.37Å; K207-E211 IonicContact NZ-OE1 2.71Å; K207-E211 PolarHBondContact NZ-OE1 3.25Å; K207-E211 WeakPolarHBondContact O-CG 3.36Å; K207-E211 PolarHBondContact O-N 3.38Å; Q208-E211 PolarHBondContact O-N 3.28Å; E211-R215 VanDerWaalsContact O-CB 3.31Å; E211-R215 WeakPolarHBondContact O-CB 3.46Å; E211-R215 PolarHBondContact O-N 3.32Å
212	E	95.4	Very high	95.8	Very high	94 Å²	94	112.2 Å²	112.2	44%	0.439	50%	0.5	S	S	.	.	H	α-helix	trans	-72.7	-41.9	173.1	177.4	147.2	-98	0	0	113.2	Q208 R209 L210 R215 L216	Q208-E212 WeakPolarHBondContact O-CB 3.26Å; Q208-E212 PolarHBondContact O-N 3.14Å; R209-E212 PolarHBondContact O-N 3.33Å; L210-E212 VanDerWaalsContact C-N 3.33Å; E212-R215 PolarHBondContact O-N 3.06Å; E212-R215 IonicContact OE1-CZ 3.79Å; E212-R215 IonicContact OE1-NH1 3.8Å; E212-R215 PolarHBondContact OE1-NH1 2.66Å; E212-R215 VanDerWaalsContact OE1-NH1 3.12Å; E212-R215 IonicContact OE1-NH2 3.08Å; E212-R215 PolarHBondContact OE1-NH2 3.17Å; E212-L216 HydrophobicContact CG-CD1 3.96Å; E212-L216 HydrophobicContact CG-CG 4.4Å; E212-L216 WeakPolarHBondContact O-CB 3.28Å; E212-L216 WeakPolarHBondContact O-CG 3.46Å; E212-L216 PolarHBondContact O-N 2.54Å
213	E	95.1	Very high	95.8	Very high	133 Å²	133	112.3 Å²	112.3	62%	0.621	50%	0.501	S	S	*	.	H	α-helix	trans	-62.3	-45.5	175.5	-172.8	-179	161	0	0	111.2	R209 L210 R215 L216 R217	R209-E213 WeakPolarHBondContact O-CB 3.46Å; R209-E213 PolarHBondContact O-N 3.07Å; L210-E213 PolarHBondContact O-N 2.77Å; E213-R215 VanDerWaalsContact C-N 3.34Å; E213-R215 PolarHBondContact O-N 2.71Å; E213-L216 PolarHBondContact O-N 2.72Å; E213-R217 VanDerWaalsContact O-CB 3.23Å; E213-R217 WeakPolarHBondContact O-CB 3.41Å; E213-R217 PolarHBondContact O-N 2.85Å
214	D	95.4	Very high	95.7	Very high	69 Å²	69	113.2 Å²	113.2	37%	0.369	50%	0.5	S	S	.	.	H	α-helix	trans	-63.8	-36	176	-179.6	48.3	0	0	0	112.1	L210 R218	L210-D214 WeakPolarHBondContact O-CB 3.28Å; L210-D214 PolarHBondContact O-N 3.02Å; D214-R218 VanDerWaalsContact CG-NH1 3.28Å; D214-R218 WeakPolarHBondContact O-CG 3.12Å; D214-R218 PolarHBondContact O-N 3.01Å; D214-R218 VanDerWaalsContact O-N 3.12Å; D214-R218 IonicContact OD1-CZ 3.07Å; D214-R218 IonicContact OD1-NH1 2.77Å; D214-R218 IonicContact OD1-NH2 2.66Å; D214-R218 PolarHBondContact OD1-NH2 3.18Å; D214-R218 IonicContact OD2-CZ 2.66Å; D214-R218 IonicContact OD2-NH1 3.75Å; D214-R218 PolarHBondContact OD2-NH1 2.95Å; D214-R218 IonicContact OD2-NH2 3.37Å; D214-R218 PolarHBondContact OD2-NH2 3.4Å
215	R	96.4	Very high	95.7	Very high	110 Å²	110	112.9 Å²	112.9	42%	0.415	50%	0.498	S	S	.	.	H	α-helix	trans	-64.7	-53.6	171.7	-170	-172.8	76.7	-125	-2.9	111.8	E211 E212 E213 R217 R218 E219	E211-R215 VanDerWaalsContact O-CB 3.31Å; E211-R215 WeakPolarHBondContact O-CB 3.46Å; E211-R215 PolarHBondContact O-N 3.32Å; E212-R215 PolarHBondContact O-N 3.06Å; E212-R215 IonicContact OE1-CZ 3.79Å; E212-R215 IonicContact OE1-NH1 3.8Å; E212-R215 PolarHBondContact OE1-NH1 2.66Å; E212-R215 VanDerWaalsContact OE1-NH1 3.12Å; E212-R215 IonicContact OE1-NH2 3.08Å; E212-R215 PolarHBondContact OE1-NH2 3.17Å; E213-R215 VanDerWaalsContact C-N 3.34Å; E213-R215 PolarHBondContact O-N 2.71Å; R215-R217 PolarHBondContact O-N 2.97Å; R215-R218 PolarHBondContact O-N 3.34Å; R215-R218 VanDerWaalsContact O-N 3.11Å; R215-E219 WeakPolarHBondContact CG-OE1 3.31Å; R215-E219 IonicContact NE-OE1 2.66Å; R215-E219 PolarHBondContact NE-OE1 3.12Å; R215-E219 WeakPolarHBondContact O-CG 3.48Å; R215-E219 PolarHBondContact O-N 3.03Å
216	L	96.6	Very high	95.6	Very high	89 Å²	89	110.8 Å²	110.8	47%	0.466	50%	0.498	S	S	.	.	H	α-helix	trans	-59.8	-36.9	179.6	-72.8	169.7	0	0	0	111.9	E212 E213 E219 E220	E212-L216 HydrophobicContact CG-CD1 3.96Å; E212-L216 HydrophobicContact CG-CG 4.4Å; E212-L216 WeakPolarHBondContact O-CB 3.28Å; E212-L216 WeakPolarHBondContact O-CG 3.46Å; E212-L216 PolarHBondContact O-N 2.54Å; E213-L216 PolarHBondContact O-N 2.72Å; L216-E219 PolarHBondContact O-N 2.96Å; L216-E220 WeakPolarHBondContact O-CB 3.43Å; L216-E220 PolarHBondContact O-N 3.42Å
217	R	96.6	Very high	95.6	Very high	153 Å²	153	110.6 Å²	110.6	58%	0.577	50%	0.497	S	S	*	.	H	α-helix	trans	-64.4	-43.1	174.6	-178.4	178.1	170	180	-5.6	112.4	E213 R215 E220 E221	E213-R217 VanDerWaalsContact O-CB 3.23Å; E213-R217 WeakPolarHBondContact O-CB 3.41Å; E213-R217 PolarHBondContact O-N 2.85Å; R215-R217 PolarHBondContact O-N 2.97Å; R217-E220 PolarHBondContact O-N 3.05Å; R217-E221 HydrophobicContact CG-CG 4.5Å; R217-E221 IonicContact CZ-OE1 3.72Å; R217-E221 IonicContact NE-OE1 3.94Å; R217-E221 PolarHBondContact NE-OE1 2.96Å; R217-E221 IonicContact NH2-OE1 3.1Å; R217-E221 PolarHBondContact NH2-OE1 3.42Å; R217-E221 WeakPolarHBondContact O-CB 3.41Å; R217-E221 WeakPolarHBondContact O-CG 3.32Å; R217-E221 PolarHBondContact O-N 2.94Å
218	R	95.6	Very high	95.5	Very high	137 Å²	137	110.2 Å²	110.2	52%	0.517	50%	0.498	S	S	.	.	H	α-helix	trans	-62	-46.4	173.4	-72.9	-174.3	-169.7	96.2	15.3	111.4	D214 R215 E220 E221 E222	D214-R218 VanDerWaalsContact CG-NH1 3.28Å; D214-R218 WeakPolarHBondContact O-CG 3.12Å; D214-R218 PolarHBondContact O-N 3.01Å; D214-R218 VanDerWaalsContact O-N 3.12Å; D214-R218 IonicContact OD1-CZ 3.07Å; D214-R218 IonicContact OD1-NH1 2.77Å; D214-R218 IonicContact OD1-NH2 2.66Å; D214-R218 PolarHBondContact OD1-NH2 3.18Å; D214-R218 IonicContact OD2-CZ 2.66Å; D214-R218 IonicContact OD2-NH1 3.75Å; D214-R218 PolarHBondContact OD2-NH1 2.95Å; D214-R218 IonicContact OD2-NH2 3.37Å; D214-R218 PolarHBondContact OD2-NH2 3.4Å; R215-R218 PolarHBondContact O-N 3.34Å; R215-R218 VanDerWaalsContact O-N 3.11Å; R218-E220 VanDerWaalsContact C-N 3.26Å; R218-E220 PolarHBondContact O-N 3.43Å; R218-E221 PolarHBondContact O-N 3.32Å; R218-E222 WeakPolarHBondContact O-CB 3.49Å; R218-E222 WeakPolarHBondContact O-CG 3.45Å; R218-E222 PolarHBondContact O-N 3.06Å
219	E	94.7	Very high	95.4	Very high	96 Å²	96	111.1 Å²	111.1	45%	0.449	50%	0.502	S	S	.	.	H	α-helix	trans	-58.7	-36.4	177	-69	173.5	-156.1	0	0	112.1	R215 L216 R223	R215-E219 WeakPolarHBondContact CG-OE1 3.31Å; R215-E219 IonicContact NE-OE1 2.66Å; R215-E219 PolarHBondContact NE-OE1 3.12Å; R215-E219 WeakPolarHBondContact O-CG 3.48Å; R215-E219 PolarHBondContact O-N 3.03Å; L216-E219 PolarHBondContact O-N 2.96Å; E219-R223 WeakPolarHBondContact O-CB 3.34Å; E219-R223 PolarHBondContact O-N 2.79Å
220	E	94.9	Very high	95.2	Very high	105 Å²	105	112.7 Å²	112.7	49%	0.491	51%	0.508	S	S	.	.	H	α-helix	trans	-74	-42.3	173.9	177	155	-95.6	0	0	113.7	L216 R217 R218 E222 R223 R224	L216-E220 WeakPolarHBondContact O-CB 3.43Å; L216-E220 PolarHBondContact O-N 3.42Å; R217-E220 PolarHBondContact O-N 3.05Å; R218-E220 VanDerWaalsContact C-N 3.26Å; R218-E220 PolarHBondContact O-N 3.43Å; E220-E222 VanDerWaalsContact C-N 3.33Å; E220-E222 PolarHBondContact O-N 3.31Å; E220-R223 PolarHBondContact O-N 3.37Å; E220-R223 IonicContact OE1-CZ 2.71Å; E220-R223 IonicContact OE1-NH2 2.67Å; E220-R223 PolarHBondContact OE1-NH2 2.68Å; E220-R224 WeakPolarHBondContact O-CB 3.38Å; E220-R224 PolarHBondContact O-N 3.26Å
221	E	94.4	Very high	95.2	Very high	69 Å²	69	112.8 Å²	112.8	32%	0.322	51%	0.508	S	S	.	.	H	α-helix	trans	-66	-34.8	176.5	-73.2	-174.6	-161.3	0	0	111.8	R217 R218 Q225	R217-E221 HydrophobicContact CG-CG 4.5Å; R217-E221 IonicContact CZ-OE1 3.72Å; R217-E221 IonicContact NE-OE1 3.94Å; R217-E221 PolarHBondContact NE-OE1 2.96Å; R217-E221 IonicContact NH2-OE1 3.1Å; R217-E221 PolarHBondContact NH2-OE1 3.42Å; R217-E221 WeakPolarHBondContact O-CB 3.41Å; R217-E221 WeakPolarHBondContact O-CG 3.32Å; R217-E221 PolarHBondContact O-N 2.94Å; R218-E221 PolarHBondContact O-N 3.32Å; E221-Q225 VanDerWaalsContact O-CG 3.31Å; E221-Q225 WeakPolarHBondContact O-CG 3.21Å; E221-Q225 PolarHBondContact O-N 3.27Å; E221-Q225 PolarHBondContact O-NE2 3.23Å
222	E	95	Very high	95.2	Very high	131 Å²	131	116.6 Å²	116.6	61%	0.612	52%	0.518	S	S	*	.	H	α-helix	trans	-68.9	-46.5	170.8	-74.7	-177.4	-172.6	0	0	112	R218 E220 R224 Q225 A226	R218-E222 WeakPolarHBondContact O-CB 3.49Å; R218-E222 WeakPolarHBondContact O-CG 3.45Å; R218-E222 PolarHBondContact O-N 3.06Å; E220-E222 VanDerWaalsContact C-N 3.33Å; E220-E222 PolarHBondContact O-N 3.31Å; E222-R224 VanDerWaalsContact C-N 3.3Å; E222-R224 PolarHBondContact O-N 3.2Å; E222-Q225 PolarHBondContact O-N 2.89Å; E222-A226 PolarHBondContact O-N 3.29Å
223	R	95.4	Very high	95	Very high	127 Å²	127	116.7 Å²	116.7	48%	0.479	52%	0.52	S	S	.	.	H	α-helix	trans	-57.5	-43.6	176.5	-174.7	176.8	74.5	-115.3	2.4	111.5	E219 E220 A226 E227	E219-R223 WeakPolarHBondContact O-CB 3.34Å; E219-R223 PolarHBondContact O-N 2.79Å; E220-R223 PolarHBondContact O-N 3.37Å; E220-R223 IonicContact OE1-CZ 2.71Å; E220-R223 IonicContact OE1-NH2 2.67Å; E220-R223 PolarHBondContact OE1-NH2 2.68Å; R223-A226 PolarHBondContact O-N 3.14Å; R223-E227 WeakPolarHBondContact O-CG 3.37Å; R223-E227 PolarHBondContact O-N 3.35Å
224	R	95.4	Very high	94.9	Very high	127 Å²	127	113.7 Å²	113.7	48%	0.479	51%	0.506	S	S	.	.	H	α-helix	trans	-63.7	-43.8	177.1	-162.2	-173.7	70.8	-120	-4.5	111.7	E220 E222 A226 E227 E228	E220-R224 WeakPolarHBondContact O-CB 3.38Å; E220-R224 PolarHBondContact O-N 3.26Å; E222-R224 VanDerWaalsContact C-N 3.3Å; E222-R224 PolarHBondContact O-N 3.2Å; R224-A226 PolarHBondContact O-N 2.59Å; R224-E227 PolarHBondContact O-N 3.29Å; R224-E228 WeakPolarHBondContact CG-OE1 3.36Å; R224-E228 IonicContact NE-OE1 3.46Å; R224-E228 PolarHBondContact NE-OE1 2.91Å; R224-E228 VanDerWaalsContact NE-OE1 3.08Å; R224-E228 WeakPolarHBondContact O-CB 3.33Å; R224-E228 WeakPolarHBondContact O-CG 3.41Å; R224-E228 PolarHBondContact O-N 3.05Å
225	Q	94.8	Very high	94.8	Very high	111 Å²	111	114.9 Å²	114.9	52%	0.519	51%	0.51	S	S	.	.	H	α-helix	trans	-60.9	-42.5	175.6	-76.5	170.9	77.5	0	0	112.2	E221 E222 E227 E228 E229	E221-Q225 VanDerWaalsContact O-CG 3.31Å; E221-Q225 WeakPolarHBondContact O-CG 3.21Å; E221-Q225 PolarHBondContact O-N 3.27Å; E221-Q225 PolarHBondContact O-NE2 3.23Å; E222-Q225 PolarHBondContact O-N 2.89Å; Q225-E227 PolarHBondContact O-N 3.48Å; Q225-E228 PolarHBondContact O-N 2.95Å; Q225-E229 WeakPolarHBondContact O-CB 3.34Å; Q225-E229 PolarHBondContact O-N 2.94Å
226	A	94.3	Very high	94.6	Very high	58 Å²	58	115 Å²	115	48%	0.479	52%	0.515	S	S	.	.	H	α-helix	trans	-65.4	-36.3	176.7	0	0	0	0	0	112.7	E222 R223 R224 R230	E222-A226 PolarHBondContact O-N 3.29Å; R223-A226 PolarHBondContact O-N 3.14Å; R224-A226 PolarHBondContact O-N 2.59Å; A226-R230 WeakPolarHBondContact O-CB 3.2Å; A226-R230 PolarHBondContact O-N 2.87Å
227	E	94	Very high	94.3	Very high	119 Å²	119	114.2 Å²	114.2	56%	0.556	51%	0.508	S	S	*	.	H	α-helix	trans	-68.8	-42.6	173.3	-74.9	-179.2	-157.8	0	0	112.5	R223 R224 Q225 R230 L231	R223-E227 WeakPolarHBondContact O-CG 3.37Å; R223-E227 PolarHBondContact O-N 3.35Å; R224-E227 PolarHBondContact O-N 3.29Å; Q225-E227 PolarHBondContact O-N 3.48Å; E227-R230 PolarHBondContact O-N 3.24Å; E227-L231 WeakPolarHBondContact O-CB 3.25Å; E227-L231 PolarHBondContact O-N 2.84Å
228	E	94.5	Very high	94	Very high	110 Å²	110	111.9 Å²	111.9	51%	0.514	50%	0.504	S	S	.	.	H	α-helix	trans	-61.9	-45.4	174.8	-73.4	176.8	-141.4	0	0	111.6	R224 Q225 L231 R232	R224-E228 WeakPolarHBondContact CG-OE1 3.36Å; R224-E228 IonicContact NE-OE1 3.46Å; R224-E228 PolarHBondContact NE-OE1 2.91Å; R224-E228 VanDerWaalsContact NE-OE1 3.08Å; R224-E228 WeakPolarHBondContact O-CB 3.33Å; R224-E228 WeakPolarHBondContact O-CG 3.41Å; R224-E228 PolarHBondContact O-N 3.05Å; Q225-E228 PolarHBondContact O-N 2.95Å; E228-L231 PolarHBondContact O-N 3.1Å; E228-R232 WeakPolarHBondContact O-CB 3.29Å; E228-R232 PolarHBondContact O-N 2.82Å
229	E	93.9	Very high	93.9	Very high	126 Å²	126	111.7 Å²	111.7	59%	0.589	51%	0.509	S	S	*	.	H	α-helix	trans	-64.1	-46.9	175.4	-178.8	173.3	-154.6	0	0	111.5	Q225 L231 R232 I233	Q225-E229 WeakPolarHBondContact O-CB 3.34Å; Q225-E229 PolarHBondContact O-N 2.94Å; E229-L231 VanDerWaalsContact C-N 3.29Å; E229-L231 PolarHBondContact O-N 2.84Å; E229-R232 WeakPolarHBondContact O-CB 3.43Å; E229-R232 PolarHBondContact O-N 2.88Å; E229-R232 VanDerWaalsContact O-N 3.1Å; E229-I233 HydrophobicContact CG-CD1 3.8Å; E229-I233 HydrophobicContact CG-CG1 4.32Å; E229-I233 WeakPolarHBondContact O-CG1 3.23Å; E229-I233 PolarHBondContact O-N 3.01Å
230	R	94.6	Very high	93.8	Very high	193 Å²	193	109.1 Å²	109.1	73%	0.728	50%	0.497	S	S	*	.	H	α-helix	trans	-58.4	-41.3	177.2	178	175.9	172.5	-87.4	-2.5	111.9	A226 E227 E234	A226-R230 WeakPolarHBondContact O-CB 3.2Å; A226-R230 PolarHBondContact O-N 2.87Å; E227-R230 PolarHBondContact O-N 3.24Å; R230-E234 PolarHBondContact O-N 2.85Å
231	L	95.9	Very high	93.5	Very high	103 Å²	103	106.7 Å²	106.7	54%	0.539	49%	0.486	S	S	.	.	H	α-helix	trans	-64.4	-43.1	175.4	179.7	67.4	0	0	0	111.2	E227 E228 E229 E234 Q235	E227-L231 WeakPolarHBondContact O-CB 3.25Å; E227-L231 PolarHBondContact O-N 2.84Å; E228-L231 PolarHBondContact O-N 3.1Å; E229-L231 VanDerWaalsContact C-N 3.29Å; E229-L231 PolarHBondContact O-N 2.84Å; L231-E234 PolarHBondContact O-N 2.92Å; L231-Q235 WeakPolarHBondContact O-CG 3.4Å; L231-Q235 PolarHBondContact O-N 2.83Å
232	R	95.1	Very high	93.4	Very high	188 Å²	188	106.2 Å²	106.2	71%	0.709	50%	0.495	S	S	*	.	H	α-helix	trans	-62.4	-42.4	177.4	-174	179.7	-178.7	177	0.5	112.5	E228 E229 Q235 Q236	E228-R232 WeakPolarHBondContact O-CB 3.29Å; E228-R232 PolarHBondContact O-N 2.82Å; E229-R232 WeakPolarHBondContact O-CB 3.43Å; E229-R232 PolarHBondContact O-N 2.88Å; E229-R232 VanDerWaalsContact O-N 3.1Å; R232-Q235 PolarHBondContact O-N 3.49Å; R232-Q236 PolarHBondContact O-N 2.61Å
233	I	92.1	Very high	93.3	Very high	97 Å²	97	102.4 Å²	102.4	50%	0.497	49%	0.485	S	S	.	.	H	α-helix	trans	-63.4	-46.1	176	-69.1	169.8	0	0	0	110.7	E229 Q235 Q236 K237	E229-I233 HydrophobicContact CG-CD1 3.8Å; E229-I233 HydrophobicContact CG-CG1 4.32Å; E229-I233 WeakPolarHBondContact O-CG1 3.23Å; E229-I233 PolarHBondContact O-N 3.01Å; I233-Q235 PolarHBondContact O-N 3.43Å; I233-Q236 PolarHBondContact O-N 2.77Å; I233-K237 VanDerWaalsContact O-CB 3.28Å; I233-K237 WeakPolarHBondContact O-CB 3.18Å; I233-K237 PolarHBondContact O-N 2.83Å
234	E	92.4	Very high	93.2	Very high	69 Å²	69	96.9 Å²	96.9	32%	0.322	47%	0.465	S	S	.	.	H	α-helix	trans	-66.1	-36.4	178.6	-174.2	62	-146.1	0	0	111.9	R230 L231 K237 Q238	R230-E234 PolarHBondContact O-N 2.85Å; L231-E234 PolarHBondContact O-N 2.92Å; E234-K237 VanDerWaalsContact CD-CD 3.47Å; E234-K237 WeakPolarHBondContact OE1-CD 3.21Å; E234-K237 IonicContact OE1-NZ 3.4Å; E234-K237 PolarHBondContact OE1-NZ 2.86Å; E234-K237 WeakPolarHBondContact OE2-CD 3.43Å; E234-K237 IonicContact OE2-NZ 2.75Å; E234-K237 PolarHBondContact OE2-NZ 3.45Å; E234-Q238 WeakPolarHBondContact O-CB 3.34Å; E234-Q238 VanDerWaalsContact O-CG 3.27Å; E234-Q238 WeakPolarHBondContact O-CG 3.39Å; E234-Q238 PolarHBondContact O-N 2.97Å; E234-Q238 PolarHBondContact OE1-NE2 3.4Å
235	Q	94.3	Very high	93	Very high	94 Å²	94	92.7 Å²	92.7	44%	0.439	45%	0.452	S	S	.	.	H	α-helix	trans	-62.6	-46.6	171.4	-74.8	178.9	17.2	0	0	112.2	L231 R232 I233 K237 Q238 Q239	L231-Q235 WeakPolarHBondContact O-CG 3.4Å; L231-Q235 PolarHBondContact O-N 2.83Å; R232-Q235 PolarHBondContact O-N 3.49Å; I233-Q235 PolarHBondContact O-N 3.43Å; Q235-K237 PolarHBondContact O-N 2.88Å; Q235-Q238 PolarHBondContact O-N 2.71Å; Q235-Q239 WeakPolarHBondContact O-CG 3.37Å; Q235-Q239 PolarHBondContact O-N 3.46Å
236	Q	91.4	Very high	92.9	Very high	114 Å²	114	91 Å²	91	53%	0.533	46%	0.457	S	S	.	.	H	α-helix	trans	-61.7	-44.6	178.1	-177.7	178	-5.3	0	0	111.4	R232 I233 Q238 Q239 I240	R232-Q236 PolarHBondContact O-N 2.61Å; I233-Q236 PolarHBondContact O-N 2.77Å; Q236-Q238 PolarHBondContact O-N 2.9Å; Q236-Q239 PolarHBondContact O-N 3.19Å; Q236-I240 HydrophobicContact CG-CD1 4.14Å; Q236-I240 WeakPolarHBondContact O-CG1 3.43Å; Q236-I240 PolarHBondContact O-N 3.48Å
237	K	90.6	Very high	92.8	Very high	71 Å²	71	95.3 Å²	95.3	31%	0.309	47%	0.468	S	S	.	.	H	α-helix	trans	-57.4	-44.4	173.5	176.6	-140.6	-176.4	-175.2	0	111.8	I233 E234 Q235 I240 M241 Y279	I233-K237 VanDerWaalsContact O-CB 3.28Å; I233-K237 WeakPolarHBondContact O-CB 3.18Å; I233-K237 PolarHBondContact O-N 2.83Å; E234-K237 VanDerWaalsContact CD-CD 3.47Å; E234-K237 WeakPolarHBondContact OE1-CD 3.21Å; E234-K237 IonicContact OE1-NZ 3.4Å; E234-K237 PolarHBondContact OE1-NZ 2.86Å; E234-K237 WeakPolarHBondContact OE2-CD 3.43Å; E234-K237 IonicContact OE2-NZ 2.75Å; E234-K237 PolarHBondContact OE2-NZ 3.45Å; Q235-K237 PolarHBondContact O-N 2.88Å; K237-I240 PolarHBondContact O-N 3.05Å; K237-M241 HydrophobicContact CD-CE 4.12Å; K237-M241 HydrophobicContact CG-CE 4.1Å; K237-M241 WeakPolarHBondContact O-CG 3.44Å; K237-M241 PolarHBondContact O-N 3.26Å; K237-Y279 VanDerWaalsContact CG-OH 3.3Å; K237-Y279 WeakPolarHBondContact CG-OH 3.22Å
238	Q	91.6	Very high	92.6	Very high	105 Å²	105	90.1 Å²	90.1	49%	0.491	44%	0.444	S	S	.	.	H	α-helix	trans	-64.9	-40.2	175.4	-74.4	175.1	21.7	0	0	112.9	E234 Q235 Q236 M241 A242	E234-Q238 WeakPolarHBondContact O-CB 3.34Å; E234-Q238 VanDerWaalsContact O-CG 3.27Å; E234-Q238 WeakPolarHBondContact O-CG 3.39Å; E234-Q238 PolarHBondContact O-N 2.97Å; E234-Q238 PolarHBondContact OE1-NE2 3.4Å; Q235-Q238 PolarHBondContact O-N 2.71Å; Q236-Q238 PolarHBondContact O-N 2.9Å; Q238-M241 HydrophobicContact CB-CE 4.47Å; Q238-M241 HydrophobicContact CG-CE 3.96Å; Q238-M241 PolarHBondContact O-N 2.91Å; Q238-A242 WeakPolarHBondContact O-CB 3.22Å; Q238-A242 PolarHBondContact O-N 3.18Å
239	Q	93.5	Very high	92.5	Very high	133 Å²	133	86.7 Å²	86.7	62%	0.621	43%	0.434	S	S	*	.	H	α-helix	trans	-63	-42.8	174.8	-70.8	173.5	11	0	0	111.9	Q235 Q236 A242 A243	Q235-Q239 WeakPolarHBondContact O-CG 3.37Å; Q235-Q239 PolarHBondContact O-N 3.46Å; Q236-Q239 PolarHBondContact O-N 3.19Å; Q239-A242 PolarHBondContact O-N 3.01Å; Q239-A243 WeakPolarHBondContact O-CB 3.35Å; Q239-A243 PolarHBondContact O-N 3.06Å
240	I	91.1	Very high	92.5	Very high	41 Å²	41	84.9 Å²	84.9	21%	0.21	43%	0.432	C	S	.	.	H	α-helix	trans	-62.2	-49.4	175.3	-66.8	165.6	0	0	0	110.4	Q236 K237 A242 A243 L244 Y279 Y282	Q236-I240 HydrophobicContact CG-CD1 4.14Å; Q236-I240 WeakPolarHBondContact O-CG1 3.43Å; Q236-I240 PolarHBondContact O-N 3.48Å; K237-I240 PolarHBondContact O-N 3.05Å; I240-A242 VanDerWaalsContact C-N 3.34Å; I240-A242 PolarHBondContact O-N 3.47Å; I240-A243 PolarHBondContact O-N 3.09Å; I240-L244 WeakPolarHBondContact O-CB 3.43Å; I240-L244 PolarHBondContact O-N 3.1Å; I240-Y279 HydrophobicContact CB-CE2 4.33Å; I240-Y279 HydrophobicContact CG2-CD2 4.19Å; I240-Y279 HydrophobicContact CG2-CE2 3.77Å; I240-Y282 HydrophobicContact CG2-CD1 3.93Å; I240-Y282 HydrophobicContact CG2-CE1 3.66Å
241	M	88.9	Confident	92.4	Very high	54 Å²	54	82 Å²	82	27%	0.266	43%	0.427	S	S	.	.	H	α-helix	trans	-57.7	-45.4	176.3	-72.8	-174.1	-61.3	0	0	111.7	K237 Q238 L244 N245 Y279	K237-M241 HydrophobicContact CD-CE 4.12Å; K237-M241 HydrophobicContact CG-CE 4.1Å; K237-M241 WeakPolarHBondContact O-CG 3.44Å; K237-M241 PolarHBondContact O-N 3.26Å; Q238-M241 HydrophobicContact CB-CE 4.47Å; Q238-M241 HydrophobicContact CG-CE 3.96Å; Q238-M241 PolarHBondContact O-N 2.91Å; M241-L244 PolarHBondContact O-N 3.17Å; M241-N245 WeakPolarHBondContact O-CB 3.37Å; M241-N245 PolarHBondContact O-N 2.93Å; M241-N245 PolarHBondContact O-ND2 2.89Å; M241-N245 PolarHBondContact O-OD1 2.91Å; M241-Y279 HydrophobicContact CG-CD1 4.38Å; M241-Y279 HydrophobicContact CG-CD2 3.45Å; M241-Y279 VanDerWaalsContact CG-CD2 3.45Å; M241-Y279 HydrophobicContact CG-CE2 3.58Å; M241-Y279 HydrophobicContact CG-CG 3.88Å
242	A	92.6	Very high	92.4	Very high	60 Å²	60	78.5 Å²	78.5	50%	0.496	41%	0.407	S	S	.	.	H	α-helix	trans	-63.4	-44.6	179.6	0	0	0	0	0	112.6	Q238 Q239 I240 A246	Q238-A242 WeakPolarHBondContact O-CB 3.22Å; Q238-A242 PolarHBondContact O-N 3.18Å; Q239-A242 PolarHBondContact O-N 3.01Å; I240-A242 VanDerWaalsContact C-N 3.34Å; I240-A242 PolarHBondContact O-N 3.47Å; A242-A246 WeakPolarHBondContact O-CB 3.39Å; A242-A246 PolarHBondContact O-N 2.84Å
243	A	93.8	Very high	92.3	Very high	50 Å²	50	75.1 Å²	75.1	41%	0.413	40%	0.399	S	S	.	.	H	α-helix	trans	-66.3	-42.8	177.9	0	0	0	0	0	112.3	Q239 I240 A246 Q247	Q239-A243 WeakPolarHBondContact O-CB 3.35Å; Q239-A243 PolarHBondContact O-N 3.06Å; I240-A243 PolarHBondContact O-N 3.09Å; A243-A246 PolarHBondContact O-N 2.95Å; A243-Q247 WeakPolarHBondContact O-CG 3.22Å; A243-Q247 PolarHBondContact O-N 2.81Å
244	L	92.6	Very high	92.3	Very high	11 Å²	11	76 Å²	76	6%	0.058	40%	0.401	C	S	.	.	H	α-helix	trans	-65.4	-41.9	178	-165.2	72.1	0	0	0	111.2	I240 M241 Q247 T248 H278 Y279 Y282	I240-L244 WeakPolarHBondContact O-CB 3.43Å; I240-L244 PolarHBondContact O-N 3.1Å; M241-L244 PolarHBondContact O-N 3.17Å; L244-Q247 PolarHBondContact O-N 2.9Å; L244-T248 PolarHBondContact O-N 3.01Å; L244-T248 PolarHBondContact O-OG1 2.88Å; L244-H278 VanDerWaalsContact CD1-CE1 3.41Å; L244-H278 WeakPolarHBondContact CD1-CE1 3.32Å; L244-H278 WeakPolarHBondContact CG-ND1 3.48Å; L244-Y279 HydrophobicContact CD2-CD2 4.37Å; L244-Y282 HydrophobicContact CD1-CD1 4.43Å; L244-Y282 HydrophobicContact CD1-CD2 4.4Å; L244-Y282 HydrophobicContact CD1-CG 4.17Å; L244-Y282 HydrophobicContact CD2-CD1 4.36Å; L244-Y282 HydrophobicContact CD2-CG 4.33Å
245	N	90.6	Very high	92.3	Very high	39 Å²	39	77.9 Å²	77.9	21%	0.209	41%	0.406	C	S	.	.	H	α-helix	trans	-65.4	-38.6	175.4	-71.2	-4.4	0	0	0	112	M241 Q247 T248 A249 Q275	M241-N245 WeakPolarHBondContact O-CB 3.37Å; M241-N245 PolarHBondContact O-N 2.93Å; M241-N245 PolarHBondContact O-ND2 2.89Å; M241-N245 PolarHBondContact O-OD1 2.91Å; N245-Q247 VanDerWaalsContact C-N 3.34Å; N245-Q247 PolarHBondContact O-N 2.86Å; N245-T248 PolarHBondContact O-N 2.9Å; N245-A249 WeakPolarHBondContact O-CA 3.27Å; N245-A249 VanDerWaalsContact O-CB 3.23Å; N245-A249 WeakPolarHBondContact O-CB 3.45Å; N245-A249 PolarHBondContact O-N 2.87Å; N245-Q275 HydrophobicContact CB-CG 4.47Å; N245-Q275 PolarHBondContact ND2-OE1 3.17Å; N245-Q275 VanDerWaalsContact OD1-CB 3.3Å; N245-Q275 WeakPolarHBondContact OD1-CB 3.23Å; N245-Q275 WeakPolarHBondContact OD1-CG 3.24Å
246	A	92.4	Very high	92.3	Very high	75 Å²	75	73.4 Å²	73.4	62%	0.62	39%	0.385	S	S	*	.	H	α-helix	trans	-64.1	-37.6	176.8	0	0	0	0	0	112.3	A242 A243	A242-A246 WeakPolarHBondContact O-CB 3.39Å; A242-A246 PolarHBondContact O-N 2.84Å; A243-A246 PolarHBondContact O-N 2.95Å
247	Q	92.3	Very high	92.3	Very high	150 Å²	150	69.9 Å²	69.9	70%	0.701	38%	0.376	S	S	*	.	H	α-helix	trans	-68	-38.3	176	-68.9	175.1	30.7	0	0	112.6	A243 L244 N245	A243-Q247 WeakPolarHBondContact O-CG 3.22Å; A243-Q247 PolarHBondContact O-N 2.81Å; L244-Q247 PolarHBondContact O-N 2.9Å; N245-Q247 VanDerWaalsContact C-N 3.34Å; N245-Q247 PolarHBondContact O-N 2.86Å
248	T	91.1	Very high	92.4	Very high	10 Å²	10	73 Å²	73	6%	0.061	39%	0.391	C	S	.	.	H	α-helix	trans	-96.3	-12.2	-175.2	55.2	0	0	0	0	115	L244 N245 V250 Q251 F252 H278	L244-T248 PolarHBondContact O-N 3.01Å; L244-T248 PolarHBondContact O-OG1 2.88Å; N245-T248 PolarHBondContact O-N 2.9Å; T248-V250 VanDerWaalsContact C-N 3.31Å; T248-V250 PolarHBondContact O-N 2.83Å; T248-V250 VanDerWaalsContact O-N 3.15Å; T248-Q251 PolarHBondContact O-N 2.9Å; T248-F252 VanDerWaalsContact CB-CE2 3.42Å; T248-F252 HydrophobicContact CG2-CE1 4.38Å; T248-F252 HydrophobicContact CG2-CE2 4.05Å; T248-F252 HydrophobicContact CG2-CZ 3.85Å; T248-F252 PolarHBondContact O-N 2.86Å; T248-F252 WeakPolarHBondContact OG1-CD2 3.35Å; T248-F252 WeakPolarHBondContact OG1-CE2 3.42Å; T248-H278 WeakPolarHBondContact CG2-CE1 3.44Å
249	A	92.5	Very high	92.3	Very high	37 Å²	37	72.6 Å²	72.6	31%	0.306	39%	0.389	S	S	.	.	H	α-helix	trans	-46.7	-50.3	-173.6	0	0	0	0	0	113.3	N245 Q251 F252 Q253	N245-A249 WeakPolarHBondContact O-CA 3.27Å; N245-A249 VanDerWaalsContact O-CB 3.23Å; N245-A249 WeakPolarHBondContact O-CB 3.45Å; N245-A249 PolarHBondContact O-N 2.87Å; A249-Q251 PolarHBondContact O-N 3.42Å; A249-F252 PolarHBondContact O-N 2.93Å; A249-Q253 WeakPolarHBondContact O-CB 3.4Å; A249-Q253 PolarHBondContact O-N 2.82Å
250	V	93.5	Very high	92.2	Very high	89 Å²	89	70.8 Å²	70.8	54%	0.539	38%	0.377	S	S	.	.	H	α-helix	trans	-63.9	-40.2	-178.5	-178.8	0	0	0	0	111.8	T248 Q254	T248-V250 VanDerWaalsContact C-N 3.31Å; T248-V250 PolarHBondContact O-N 2.83Å; T248-V250 VanDerWaalsContact O-N 3.15Å; V250-Q254 WeakPolarHBondContact O-CB 3.37Å; V250-Q254 VanDerWaalsContact O-CG 3.23Å; V250-Q254 WeakPolarHBondContact O-CG 3.37Å; V250-Q254 PolarHBondContact O-N 3.27Å
251	Q	92.9	Very high	92	Very high	132 Å²	132	73 Å²	73	62%	0.617	40%	0.395	S	S	*	.	H	α-helix	trans	-70.1	-47	-179.6	-61.5	-179.2	1.7	0	0	111.2	T248 A249 Q254 Y255	T248-Q251 PolarHBondContact O-N 2.9Å; A249-Q251 PolarHBondContact O-N 3.42Å; Q251-Q254 PolarHBondContact O-N 2.76Å; Q251-Y255 WeakPolarHBondContact O-CB 3.22Å; Q251-Y255 PolarHBondContact O-N 3.32Å
252	F	94.6	Very high	92	Very high	29 Å²	29	78.2 Å²	78.2	13%	0.127	42%	0.424	C	S	.	.	H	α-helix	trans	-68.2	-36.4	178.8	-64.1	-15.8	0	0	0	112.1	T248 A249 Y255 A256 I271 L274 Q275 H278	T248-F252 VanDerWaalsContact CB-CE2 3.42Å; T248-F252 HydrophobicContact CG2-CE1 4.38Å; T248-F252 HydrophobicContact CG2-CE2 4.05Å; T248-F252 HydrophobicContact CG2-CZ 3.85Å; T248-F252 PolarHBondContact O-N 2.86Å; T248-F252 WeakPolarHBondContact OG1-CD2 3.35Å; T248-F252 WeakPolarHBondContact OG1-CE2 3.42Å; A249-F252 PolarHBondContact O-N 2.93Å; F252-Y255 PolarHBondContact O-N 2.75Å; F252-A256 VanDerWaalsContact O-CB 3.23Å; F252-A256 WeakPolarHBondContact O-CB 3.47Å; F252-A256 PolarHBondContact O-N 2.61Å; F252-I271 HydrophobicContact CB-CG1 4.37Å; F252-I271 HydrophobicContact CB-CG2 4.42Å; F252-L274 HydrophobicContact CD1-CB 4.28Å; F252-L274 HydrophobicContact CD1-CD1 4.39Å; F252-L274 HydrophobicContact CD2-CB 4.12Å; F252-L274 HydrophobicContact CE1-CB 4.34Å; F252-L274 HydrophobicContact CE2-CB 4.16Å; F252-L274 HydrophobicContact CG-CB 4.18Å; F252-L274 HydrophobicContact CZ-CB 4.28Å; F252-Q275 HydrophobicContact CD2-CG 3.7Å; F252-Q275 HydrophobicContact CE2-CG 3.85Å; F252-H278 HydrophobicContact CE2-CB 4.28Å; F252-H278 HydrophobicContact CZ-CB 3.91Å
253	Q	92.6	Very high	92.1	Very high	118 Å²	118	78 Å²	78	55%	0.551	41%	0.414	S	S	*	.	H	α-helix	trans	-65.5	-44.2	174.2	-172.4	178.9	19.3	0	0	111.8	A249 A256 A257 I271	A249-Q253 WeakPolarHBondContact O-CB 3.4Å; A249-Q253 PolarHBondContact O-N 2.82Å; Q253-A256 PolarHBondContact O-N 2.85Å; Q253-A257 VanDerWaalsContact O-CB 3.25Å; Q253-A257 WeakPolarHBondContact O-CB 3.48Å; Q253-A257 PolarHBondContact O-N 3.47Å; Q253-I271 HydrophobicContact CB-CD1 4.43Å
254	Q	92.6	Very high	91.9	Very high	115 Å²	115	80 Å²	80	54%	0.537	42%	0.423	S	S	.	.	H	α-helix	trans	-63.2	-43.3	175.2	-75.2	176.1	15.1	0	0	112.1	V250 Q251 Q258	V250-Q254 WeakPolarHBondContact O-CB 3.37Å; V250-Q254 VanDerWaalsContact O-CG 3.23Å; V250-Q254 WeakPolarHBondContact O-CG 3.37Å; V250-Q254 PolarHBondContact O-N 3.27Å; Q251-Q254 PolarHBondContact O-N 2.76Å; Q254-Q258 WeakPolarHBondContact O-CG 3.4Å; Q254-Q258 PolarHBondContact O-N 3.33Å; Q254-Q258 VanDerWaalsContact O-N 3.12Å
255	Y	93.1	Very high	92	Very high	109 Å²	109	86.8 Å²	86.8	43%	0.427	45%	0.454	S	S	.	.	H	α-helix	trans	-63.5	-47.6	176.9	-180	-101.2	0	0	0	111.8	Q251 F252 A257 Q258 Q259 L270 L274	Q251-Y255 WeakPolarHBondContact O-CB 3.22Å; Q251-Y255 PolarHBondContact O-N 3.32Å; F252-Y255 PolarHBondContact O-N 2.75Å; Y255-A257 PolarHBondContact O-N 2.9Å; Y255-Q258 WeakPolarHBondContact O-CB 3.3Å; Y255-Q258 PolarHBondContact O-N 2.81Å; Y255-Q258 VanDerWaalsContact O-N 3.12Å; Y255-Q259 HydrophobicContact CD1-CG 4.3Å; Y255-Q259 HydrophobicContact CE1-CG 3.89Å; Y255-Q259 HydrophobicContact CE2-CG 4.32Å; Y255-Q259 WeakPolarHBondContact O-CG 3.48Å; Y255-Q259 PolarHBondContact O-N 2.61Å; Y255-L270 HydrophobicContact CD1-CD2 4.15Å; Y255-L270 HydrophobicContact CE1-CD2 4.03Å; Y255-L274 HydrophobicContact CD1-CD1 3.7Å; Y255-L274 HydrophobicContact CE1-CD1 4.07Å
256	A	93.9	Very high	92.1	Very high	0 Å²	0	89.3 Å²	89.3	0%	0	47%	0.465	C	S	.	.	H	α-helix	trans	-63.2	-40.1	178.4	0	0	0	0	0	112.5	F252 Q253 Q258 Q259 Y260 Q267 L270 I271	F252-A256 VanDerWaalsContact O-CB 3.23Å; F252-A256 WeakPolarHBondContact O-CB 3.47Å; F252-A256 PolarHBondContact O-N 2.61Å; Q253-A256 PolarHBondContact O-N 2.85Å; A256-Q258 VanDerWaalsContact C-N 3.26Å; A256-Q258 PolarHBondContact O-N 2.93Å; A256-Q259 PolarHBondContact O-N 3.13Å; A256-Y260 PolarHBondContact O-N 3.22Å; A256-Q267 HydrophobicContact CB-CB 4.07Å; A256-Q267 HydrophobicContact CB-CG 4.16Å; A256-L270 HydrophobicContact CB-CD2 4.1Å; A256-I271 HydrophobicContact CB-CD1 4.01Å; A256-I271 HydrophobicContact CB-CG1 3.71Å
257	A	91.7	Very high	92	Very high	40 Å²	40	87.3 Å²	87.3	33%	0.331	44%	0.443	S	S	.	.	H	α-helix	trans	-64.6	-27.2	174.7	0	0	0	0	0	113.3	Q253 Y255 P261	Q253-A257 VanDerWaalsContact O-CB 3.25Å; Q253-A257 WeakPolarHBondContact O-CB 3.48Å; Q253-A257 PolarHBondContact O-N 3.47Å; Y255-A257 PolarHBondContact O-N 2.9Å; A257-P261 VanDerWaalsContact O-CA 3.3Å; A257-P261 WeakPolarHBondContact O-CA 3.23Å; A257-P261 WeakPolarHBondContact O-CG 3.11Å
258	Q	92.3	Very high	92	Very high	136 Å²	136	86.8 Å²	86.8	64%	0.636	44%	0.442	S	S	*	.	H	α-helix	trans	-75.5	-39.7	171.5	-70.4	169.8	31.4	0	0	112.4	Q254 Y255 A256	Q254-Q258 WeakPolarHBondContact O-CG 3.4Å; Q254-Q258 PolarHBondContact O-N 3.33Å; Q254-Q258 VanDerWaalsContact O-N 3.12Å; Y255-Q258 WeakPolarHBondContact O-CB 3.3Å; Y255-Q258 PolarHBondContact O-N 2.81Å; Y255-Q258 VanDerWaalsContact O-N 3.12Å; A256-Q258 VanDerWaalsContact C-N 3.26Å; A256-Q258 PolarHBondContact O-N 2.93Å
259	Q	90.5	Very high	92.1	Very high	96 Å²	96	90.1 Å²	90.1	45%	0.449	47%	0.466	S	S	.	.	H	α-helix	trans	-73.9	-36.8	179.8	-59.9	-50.8	-48.5	0	0	113	Y255 A256 L270	Y255-Q259 HydrophobicContact CD1-CG 4.3Å; Y255-Q259 HydrophobicContact CE1-CG 3.89Å; Y255-Q259 HydrophobicContact CE2-CG 4.32Å; Y255-Q259 WeakPolarHBondContact O-CG 3.48Å; Y255-Q259 PolarHBondContact O-N 2.61Å; A256-Q259 PolarHBondContact O-N 3.13Å; Q259-L270 HydrophobicContact CB-CD2 4.14Å; Q259-L270 HydrophobicContact CG-CD2 4.14Å
260	Y	91	Very high	92.2	Very high	95 Å²	95	89.7 Å²	89.7	37%	0.373	46%	0.458	S	S	.	.			trans	-132.4	63.5	-174.8	-60.1	-68.7	0	0	0	113.1	A256 N262 N263 Q266 Q267 L270	A256-Y260 PolarHBondContact O-N 3.22Å; Y260-N262 PolarHBondContact O-N 2.8Å; Y260-N263 PolarHBondContact O-N 2.94Å; Y260-N263 VanDerWaalsContact O-N 3.16Å; Y260-Q266 HydrophobicContact CD1-CB 4.07Å; Y260-Q266 HydrophobicContact CD2-CB 4.05Å; Y260-Q266 HydrophobicContact CE1-CB 4.44Å; Y260-Q266 HydrophobicContact CE2-CB 4.41Å; Y260-Q266 HydrophobicContact CG-CB 3.87Å; Y260-Q267 PolarHBondContact O-NE2 3.18Å; Y260-L270 HydrophobicContact CD2-CD2 4.04Å; Y260-L270 HydrophobicContact CE2-CB 4.33Å; Y260-L270 HydrophobicContact CE2-CD2 3.81Å
261	P	86.8	Confident	92.2	Very high	88 Å²	88	86.9 Å²	86.9	57%	0.571	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-32.2	-167	-28.4	35.2	0	0	0	116.3	A257	A257-P261 VanDerWaalsContact O-CA 3.3Å; A257-P261 WeakPolarHBondContact O-CA 3.23Å; A257-P261 WeakPolarHBondContact O-CG 3.11Å
262	N	89.3	Confident	92.2	Very high	164 Å²	164	89.1 Å²	89.1	88%	0.877	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.5	9.8	-175.3	-65.1	-20.3	0	0	0	114.2	Y260	Y260-N262 PolarHBondContact O-N 2.8Å
263	N	93.4	Very high	92.2	Very high	56 Å²	56	93.6 Å²	93.6	30%	0.299	46%	0.464	S	S	.	.			trans	-125.8	94.2	-178.5	-169.6	-25	0	0	0	112.3	Y260 E265 Q266 Q267	Y260-N263 PolarHBondContact O-N 2.94Å; Y260-N263 VanDerWaalsContact O-N 3.16Å; N263-E265 VanDerWaalsContact C-N 3.3Å; N263-E265 PolarHBondContact O-N 3.33Å; N263-E265 PolarHBondContact OD1-N 2.9Å; N263-Q266 HydrophobicContact CB-CB 4.13Å; N263-Q266 HydrophobicContact CB-CG 4.49Å; N263-Q266 WeakPolarHBondContact ND2-CG 3.43Å; N263-Q266 PolarHBondContact ND2-OE1 3.18Å; N263-Q266 PolarHBondContact O-N 3.31Å; N263-Q266 PolarHBondContact OD1-N 3.27Å; N263-Q266 VanDerWaalsContact OD1-N 3.09Å; N263-Q267 WeakPolarHBondContact O-CG 3.18Å; N263-Q267 PolarHBondContact O-N 3.45Å
264	P	91.1	Very high	92.3	Very high	90 Å²	90	90.2 Å²	90.2	58%	0.584	45%	0.449	S	S	*	.	H	α-helix	trans	-68.5	-26	-176.5	28.4	-35	0	0	0	113.5	Q267 M268	P264-Q267 PolarHBondContact O-N 3.45Å; P264-M268 WeakPolarHBondContact O-CG 3.1Å; P264-M268 PolarHBondContact O-N 3.23Å
265	E	93.4	Very high	92.3	Very high	154 Å²	154	86.6 Å²	86.6	72%	0.72	43%	0.432	S	S	*	.	H	α-helix	trans	-73.6	-42.7	179.1	-171.8	171.2	-153.4	0	0	111.1	N263 Q267 M268 S269	N263-E265 VanDerWaalsContact C-N 3.3Å; N263-E265 PolarHBondContact O-N 3.33Å; N263-E265 PolarHBondContact OD1-N 2.9Å; E265-Q267 VanDerWaalsContact C-N 3.34Å; E265-M268 PolarHBondContact O-N 3.33Å; E265-S269 WeakPolarHBondContact O-CB 3.47Å; E265-S269 PolarHBondContact O-N 2.88Å
266	Q	92.3	Very high	92.2	Very high	92 Å²	92	86.3 Å²	86.3	43%	0.43	44%	0.435	S	S	.	.	H	α-helix	trans	-65.2	-36	170.4	-75.1	178.1	-25.9	0	0	112.1	Y260 N263 S269 L270	Y260-Q266 HydrophobicContact CD1-CB 4.07Å; Y260-Q266 HydrophobicContact CD2-CB 4.05Å; Y260-Q266 HydrophobicContact CE1-CB 4.44Å; Y260-Q266 HydrophobicContact CE2-CB 4.41Å; Y260-Q266 HydrophobicContact CG-CB 3.87Å; N263-Q266 HydrophobicContact CB-CB 4.13Å; N263-Q266 HydrophobicContact CB-CG 4.49Å; N263-Q266 WeakPolarHBondContact ND2-CG 3.43Å; N263-Q266 PolarHBondContact ND2-OE1 3.18Å; N263-Q266 PolarHBondContact O-N 3.31Å; N263-Q266 PolarHBondContact OD1-N 3.27Å; N263-Q266 VanDerWaalsContact OD1-N 3.09Å; Q266-S269 PolarHBondContact O-N 2.77Å; Q266-L270 WeakPolarHBondContact O-CB 3Å; Q266-L270 PolarHBondContact O-N 2.92Å
267	Q	91.8	Very high	92.2	Very high	34 Å²	34	90.5 Å²	90.5	16%	0.159	46%	0.455	C	S	.	.	H	α-helix	trans	-59.5	-50.5	171.2	-71.3	177.2	24.4	0	0	111.7	A256 Y260 N263 P264 E265 S269 L270 I271	A256-Q267 HydrophobicContact CB-CB 4.07Å; A256-Q267 HydrophobicContact CB-CG 4.16Å; Y260-Q267 PolarHBondContact O-NE2 3.18Å; N263-Q267 WeakPolarHBondContact O-CG 3.18Å; N263-Q267 PolarHBondContact O-N 3.45Å; P264-Q267 PolarHBondContact O-N 3.45Å; E265-Q267 VanDerWaalsContact C-N 3.34Å; Q267-S269 PolarHBondContact O-N 3.2Å; Q267-L270 PolarHBondContact O-N 3.23Å; Q267-I271 WeakPolarHBondContact O-CB 3.44Å; Q267-I271 WeakPolarHBondContact O-CD1 3.09Å; Q267-I271 WeakPolarHBondContact O-CG1 3.31Å; Q267-I271 PolarHBondContact O-N 3.35Å
268	M	92.3	Very high	92.3	Very high	138 Å²	138	91.2 Å²	91.2	68%	0.68	45%	0.451	S	S	*	.	H	α-helix	trans	-64.3	-38.3	179.6	-71.3	-147.8	-60.5	0	0	112.9	P264 E265 I271 R272	P264-M268 WeakPolarHBondContact O-CG 3.1Å; P264-M268 PolarHBondContact O-N 3.23Å; E265-M268 PolarHBondContact O-N 3.33Å; M268-I271 PolarHBondContact O-N 3.01Å; M268-R272 WeakPolarHBondContact O-CB 3.11Å; M268-R272 PolarHBondContact O-N 3.45Å
269	S	93.8	Very high	92.3	Very high	81 Å²	81	86.6 Å²	86.6	57%	0.566	43%	0.428	S	S	*	.	H	α-helix	trans	-62.5	-46.4	175.4	-168	0	0	0	0	111.8	E265 Q266 Q267 R272 Q273	E265-S269 WeakPolarHBondContact O-CB 3.47Å; E265-S269 PolarHBondContact O-N 2.88Å; Q266-S269 PolarHBondContact O-N 2.77Å; Q267-S269 PolarHBondContact O-N 3.2Å; S269-R272 PolarHBondContact O-N 3.04Å; S269-Q273 PolarHBondContact O-N 3.37Å
270	L	93.6	Very high	92.4	Very high	28 Å²	28	86.4 Å²	86.4	15%	0.147	43%	0.427	C	S	.	.	H	α-helix	trans	-64	-43	175.8	177.3	61.1	0	0	0	112	Y255 A256 Q259 Y260 Q266 Q267 R272 Q273 L274	Y255-L270 HydrophobicContact CD1-CD2 4.15Å; Y255-L270 HydrophobicContact CE1-CD2 4.03Å; A256-L270 HydrophobicContact CB-CD2 4.1Å; Q259-L270 HydrophobicContact CB-CD2 4.14Å; Q259-L270 HydrophobicContact CG-CD2 4.14Å; Y260-L270 HydrophobicContact CD2-CD2 4.04Å; Y260-L270 HydrophobicContact CE2-CB 4.33Å; Y260-L270 HydrophobicContact CE2-CD2 3.81Å; Q266-L270 WeakPolarHBondContact O-CB 3Å; Q266-L270 PolarHBondContact O-N 2.92Å; Q267-L270 PolarHBondContact O-N 3.23Å; L270-R272 VanDerWaalsContact C-N 3.34Å; L270-R272 PolarHBondContact O-N 3.4Å; L270-Q273 PolarHBondContact O-N 3.47Å; L270-L274 HydrophobicContact CD1-CD1 3.96Å; L270-L274 HydrophobicContact CD1-CG 4.06Å; L270-L274 HydrophobicContact CG-CD1 3.86Å; L270-L274 HydrophobicContact CG-CG 4.41Å; L270-L274 WeakPolarHBondContact O-CB 3.34Å; L270-L274 VanDerWaalsContact O-CG 3.29Å; L270-L274 WeakPolarHBondContact O-CG 3.37Å; L270-L274 PolarHBondContact O-N 3.02Å
271	I	93.7	Very high	92.4	Very high	30 Å²	30	87.4 Å²	87.4	15%	0.154	44%	0.435	C	S	.	.	H	α-helix	trans	-59.2	-45.9	176.1	-69.8	163	0	0	0	110.2	F252 Q253 A256 Q267 M268 Q273 L274 Q275	F252-I271 HydrophobicContact CB-CG1 4.37Å; F252-I271 HydrophobicContact CB-CG2 4.42Å; Q253-I271 HydrophobicContact CB-CD1 4.43Å; A256-I271 HydrophobicContact CB-CD1 4.01Å; A256-I271 HydrophobicContact CB-CG1 3.71Å; Q267-I271 WeakPolarHBondContact O-CB 3.44Å; Q267-I271 WeakPolarHBondContact O-CD1 3.09Å; Q267-I271 WeakPolarHBondContact O-CG1 3.31Å; Q267-I271 PolarHBondContact O-N 3.35Å; M268-I271 PolarHBondContact O-N 3.01Å; I271-Q273 PolarHBondContact O-N 3.06Å; I271-L274 PolarHBondContact O-N 3.35Å; I271-Q275 HydrophobicContact CG2-CG 4.29Å; I271-Q275 WeakPolarHBondContact O-CB 3.3Å; I271-Q275 VanDerWaalsContact O-CG 3.23Å; I271-Q275 WeakPolarHBondContact O-CG 3.17Å; I271-Q275 PolarHBondContact O-N 3.26Å
272	R	92.7	Very high	92.7	Very high	179 Å²	179	87.4 Å²	87.4	68%	0.675	42%	0.424	S	S	*	.	H	α-helix	trans	-60.1	-45.2	176.8	-179.7	179	172.9	174.5	-0.6	111.9	M268 S269 L270 L274 Q275 E276	M268-R272 WeakPolarHBondContact O-CB 3.11Å; M268-R272 PolarHBondContact O-N 3.45Å; S269-R272 PolarHBondContact O-N 3.04Å; L270-R272 VanDerWaalsContact C-N 3.34Å; L270-R272 PolarHBondContact O-N 3.4Å; R272-L274 PolarHBondContact O-N 2.92Å; R272-Q275 PolarHBondContact O-N 3.43Å; R272-E276 WeakPolarHBondContact O-CB 3.43Å; R272-E276 PolarHBondContact O-N 2.89Å
273	Q	94.7	Very high	92.9	Very high	122 Å²	122	82.8 Å²	82.8	57%	0.57	40%	0.398	S	S	*	.	H	α-helix	trans	-63.3	-40.8	178	-174.6	-179.3	-8.2	0	0	112.1	S269 L270 I271 E276 Q277	S269-Q273 PolarHBondContact O-N 3.37Å; L270-Q273 PolarHBondContact O-N 3.47Å; I271-Q273 PolarHBondContact O-N 3.06Å; Q273-E276 PolarHBondContact O-N 2.83Å; Q273-Q277 WeakPolarHBondContact O-CB 3.36Å; Q273-Q277 WeakPolarHBondContact O-CG 3.41Å; Q273-Q277 PolarHBondContact O-N 3.36Å
274	L	93.8	Very high	92.9	Very high	47 Å²	47	86.3 Å²	86.3	25%	0.246	41%	0.413	C	S	.	.	H	α-helix	trans	-67.9	-39.8	176.6	-70.3	168.1	0	0	0	112	F252 Y255 L270 I271 R272 H278	F252-L274 HydrophobicContact CD1-CB 4.28Å; F252-L274 HydrophobicContact CD1-CD1 4.39Å; F252-L274 HydrophobicContact CD2-CB 4.12Å; F252-L274 HydrophobicContact CE1-CB 4.34Å; F252-L274 HydrophobicContact CE2-CB 4.16Å; F252-L274 HydrophobicContact CG-CB 4.18Å; F252-L274 HydrophobicContact CZ-CB 4.28Å; Y255-L274 HydrophobicContact CD1-CD1 3.7Å; Y255-L274 HydrophobicContact CE1-CD1 4.07Å; L270-L274 HydrophobicContact CD1-CD1 3.96Å; L270-L274 HydrophobicContact CD1-CG 4.06Å; L270-L274 HydrophobicContact CG-CD1 3.86Å; L270-L274 HydrophobicContact CG-CG 4.41Å; L270-L274 WeakPolarHBondContact O-CB 3.34Å; L270-L274 VanDerWaalsContact O-CG 3.29Å; L270-L274 WeakPolarHBondContact O-CG 3.37Å; L270-L274 PolarHBondContact O-N 3.02Å; I271-L274 PolarHBondContact O-N 3.35Å; R272-L274 PolarHBondContact O-N 2.92Å; L274-H278 WeakPolarHBondContact O-CB 3.44Å; L274-H278 PolarHBondContact O-N 3.18Å
275	Q	92.9	Very high	93	Very high	40 Å²	40	88 Å²	88	19%	0.187	41%	0.413	C	S	.	.	H	α-helix	trans	-62.1	-43.7	173.5	-75	174.9	-17.2	0	0	111.8	N245 F252 I271 R272 H278 Y279	N245-Q275 HydrophobicContact CB-CG 4.47Å; N245-Q275 PolarHBondContact ND2-OE1 3.17Å; N245-Q275 VanDerWaalsContact OD1-CB 3.3Å; N245-Q275 WeakPolarHBondContact OD1-CB 3.23Å; N245-Q275 WeakPolarHBondContact OD1-CG 3.24Å; F252-Q275 HydrophobicContact CD2-CG 3.7Å; F252-Q275 HydrophobicContact CE2-CG 3.85Å; I271-Q275 HydrophobicContact CG2-CG 4.29Å; I271-Q275 WeakPolarHBondContact O-CB 3.3Å; I271-Q275 VanDerWaalsContact O-CG 3.23Å; I271-Q275 WeakPolarHBondContact O-CG 3.17Å; I271-Q275 PolarHBondContact O-N 3.26Å; R272-Q275 PolarHBondContact O-N 3.43Å; Q275-H278 PolarHBondContact O-N 2.77Å; Q275-Y279 WeakPolarHBondContact O-CB 3.37Å; Q275-Y279 PolarHBondContact O-N 3.46Å
276	E	91.4	Very high	92.9	Very high	103 Å²	103	83.6 Å²	83.6	48%	0.481	39%	0.394	S	S	.	.	H	α-helix	trans	-66.4	-44.6	177.5	-176.1	168.6	-179	0	0	112.1	R272 Q273 Y279 Q280	R272-E276 WeakPolarHBondContact O-CB 3.43Å; R272-E276 PolarHBondContact O-N 2.89Å; Q273-E276 PolarHBondContact O-N 2.83Å; E276-Y279 PolarHBondContact O-N 2.69Å; E276-Q280 VanDerWaalsContact O-CG 3.29Å; E276-Q280 WeakPolarHBondContact O-CG 3.35Å; E276-Q280 PolarHBondContact O-N 2.9Å
277	Q	93.6	Very high	92.9	Very high	88 Å²	88	86.4 Å²	86.4	41%	0.411	40%	0.402	S	S	.	.	H	α-helix	trans	-60.6	-44.3	173.3	-77.8	-67.9	-69.7	0	0	112.4	Q273 Q280 Q281	Q273-Q277 WeakPolarHBondContact O-CB 3.36Å; Q273-Q277 WeakPolarHBondContact O-CG 3.41Å; Q273-Q277 PolarHBondContact O-N 3.36Å; Q277-Q280 PolarHBondContact O-N 3.15Å; Q277-Q281 WeakPolarHBondContact O-CG 3.38Å; Q277-Q281 PolarHBondContact O-N 2.69Å
278	H	93.1	Very high	92.9	Very high	54 Å²	54	90.8 Å²	90.8	25%	0.25	42%	0.422	C	S	.	.	H	α-helix	trans	-66.5	-38.2	178.9	-174.1	-126.3	0	0	0	111.9	L244 T248 F252 L274 Q275 Q281 Y282	L244-H278 VanDerWaalsContact CD1-CE1 3.41Å; L244-H278 WeakPolarHBondContact CD1-CE1 3.32Å; L244-H278 WeakPolarHBondContact CG-ND1 3.48Å; T248-H278 WeakPolarHBondContact CG2-CE1 3.44Å; F252-H278 HydrophobicContact CE2-CB 4.28Å; F252-H278 HydrophobicContact CZ-CB 3.91Å; L274-H278 WeakPolarHBondContact O-CB 3.44Å; L274-H278 PolarHBondContact O-N 3.18Å; Q275-H278 PolarHBondContact O-N 2.77Å; H278-Q281 PolarHBondContact O-N 2.84Å; H278-Y282 WeakPolarHBondContact O-CB 3.38Å; H278-Y282 PolarHBondContact O-N 2.85Å
279	Y	93.6	Very high	93	Very high	39 Å²	39	87.7 Å²	87.7	15%	0.153	41%	0.411	C	S	.	.	H	α-helix	trans	-63	-44.4	171.6	177.5	-99.1	0	0	0	112	K237 I240 M241 L244 Q275 E276 Q281 Y282 M283	K237-Y279 VanDerWaalsContact CG-OH 3.3Å; K237-Y279 WeakPolarHBondContact CG-OH 3.22Å; I240-Y279 HydrophobicContact CB-CE2 4.33Å; I240-Y279 HydrophobicContact CG2-CD2 4.19Å; I240-Y279 HydrophobicContact CG2-CE2 3.77Å; M241-Y279 HydrophobicContact CG-CD1 4.38Å; M241-Y279 HydrophobicContact CG-CD2 3.45Å; M241-Y279 VanDerWaalsContact CG-CD2 3.45Å; M241-Y279 HydrophobicContact CG-CE2 3.58Å; M241-Y279 HydrophobicContact CG-CG 3.88Å; L244-Y279 HydrophobicContact CD2-CD2 4.37Å; Q275-Y279 WeakPolarHBondContact O-CB 3.37Å; Q275-Y279 PolarHBondContact O-N 3.46Å; E276-Y279 PolarHBondContact O-N 2.69Å; Y279-Q281 PolarHBondContact O-N 2.99Å; Y279-Y282 PolarHBondContact O-N 3.18Å; Y279-M283 HydrophobicContact CD1-CG 4.19Å; Y279-M283 HydrophobicContact CD2-CG 4.18Å; Y279-M283 HydrophobicContact CE1-CG 3.67Å; Y279-M283 HydrophobicContact CE2-CG 3.67Å; Y279-M283 HydrophobicContact CE2-SD 3.89Å; Y279-M283 HydrophobicContact CG-CG 4.41Å; Y279-M283 WeakPolarHBondContact O-CB 3.43Å; Y279-M283 WeakPolarHBondContact O-CG 3.11Å; Y279-M283 PolarHBondContact O-N 2.95Å
280	Q	92.6	Very high	92.9	Very high	92 Å²	92	90 Å²	90	43%	0.43	41%	0.413	S	S	.	.	H	α-helix	trans	-59.9	-43.8	175.7	-71.7	171.9	12.8	0	0	112	E276 Q277 Q284	E276-Q280 VanDerWaalsContact O-CG 3.29Å; E276-Q280 WeakPolarHBondContact O-CG 3.35Å; E276-Q280 PolarHBondContact O-N 2.9Å; Q277-Q280 PolarHBondContact O-N 3.15Å; Q280-Q284 WeakPolarHBondContact O-CB 3.44Å; Q280-Q284 PolarHBondContact O-N 3.2Å
281	Q	91.5	Very high	92.8	Very high	117 Å²	117	91.9 Å²	91.9	55%	0.547	42%	0.423	S	S	.	.	H	α-helix	trans	-63.2	-46.1	175.6	-71	172	5	0	0	112	Q277 H278 Y279 M283 Q284 Q285	Q277-Q281 WeakPolarHBondContact O-CG 3.38Å; Q277-Q281 PolarHBondContact O-N 2.69Å; H278-Q281 PolarHBondContact O-N 2.84Å; Y279-Q281 PolarHBondContact O-N 2.99Å; Q281-M283 PolarHBondContact O-N 2.99Å; Q281-Q284 PolarHBondContact O-N 2.87Å; Q281-Q285 PolarHBondContact O-N 2.84Å
282	Y	93.1	Very high	92.7	Very high	87 Å²	87	93 Å²	93	34%	0.341	44%	0.437	S	S	.	.	H	α-helix	trans	-62.2	-43.2	178.1	180	-110.5	0	0	0	112.3	I240 L244 H278 Y279 Q285 L286	I240-Y282 HydrophobicContact CG2-CD1 3.93Å; I240-Y282 HydrophobicContact CG2-CE1 3.66Å; L244-Y282 HydrophobicContact CD1-CD1 4.43Å; L244-Y282 HydrophobicContact CD1-CD2 4.4Å; L244-Y282 HydrophobicContact CD1-CG 4.17Å; L244-Y282 HydrophobicContact CD2-CD1 4.36Å; L244-Y282 HydrophobicContact CD2-CG 4.33Å; H278-Y282 WeakPolarHBondContact O-CB 3.38Å; H278-Y282 PolarHBondContact O-N 2.85Å; Y279-Y282 PolarHBondContact O-N 3.18Å; Y282-Q285 PolarHBondContact O-N 3.32Å; Y282-L286 HydrophobicContact CD1-CD1 3.89Å; Y282-L286 HydrophobicContact CE1-CD1 3.35Å; Y282-L286 HydrophobicContact CE1-CG 4.18Å; Y282-L286 HydrophobicContact CE2-CD1 4.5Å; Y282-L286 PolarHBondContact O-N 3Å
283	M	92.5	Very high	92.6	Very high	67 Å²	67	90.9 Å²	90.9	33%	0.33	43%	0.434	S	S	.	.	H	α-helix	trans	-66.5	-35.9	176	-70.1	-55.6	-60.5	0	0	112.7	Y279 Q281 L286 Y287	Y279-M283 HydrophobicContact CD1-CG 4.19Å; Y279-M283 HydrophobicContact CD2-CG 4.18Å; Y279-M283 HydrophobicContact CE1-CG 3.67Å; Y279-M283 HydrophobicContact CE2-CG 3.67Å; Y279-M283 HydrophobicContact CE2-SD 3.89Å; Y279-M283 HydrophobicContact CG-CG 4.41Å; Y279-M283 WeakPolarHBondContact O-CB 3.43Å; Y279-M283 WeakPolarHBondContact O-CG 3.11Å; Y279-M283 PolarHBondContact O-N 2.95Å; Q281-M283 PolarHBondContact O-N 2.99Å; M283-L286 PolarHBondContact O-N 3.02Å; M283-L286 HydrophobicContact SD-CD1 3.85Å; M283-Y287 WeakPolarHBondContact O-CB 3.45Å; M283-Y287 PolarHBondContact O-N 3.27Å
284	Q	92.9	Very high	92.4	Very high	131 Å²	131	90.7 Å²	90.7	61%	0.612	43%	0.433	S	S	*	.	H	α-helix	trans	-64.5	-39.9	173.4	-176.1	176.1	96.6	0	0	111.7	Q280 Q281 Y287 Q288	Q280-Q284 WeakPolarHBondContact O-CB 3.44Å; Q280-Q284 PolarHBondContact O-N 3.2Å; Q281-Q284 PolarHBondContact O-N 2.87Å; Q284-Y287 PolarHBondContact O-N 2.86Å; Q284-Q288 PolarHBondContact O-N 3.25Å; Q284-Q288 VanDerWaalsContact O-N 3.14Å
285	Q	93.4	Very high	92.1	Very high	124 Å²	124	93.5 Å²	93.5	58%	0.579	45%	0.445	S	S	*	.	H	α-helix	trans	-66.4	-45.2	175.1	-169.8	-179.9	18.6	0	0	111.8	Q281 Y282 Y287 Q288 V289	Q281-Q285 PolarHBondContact O-N 2.84Å; Y282-Q285 PolarHBondContact O-N 3.32Å; Q285-Y287 VanDerWaalsContact C-N 3.31Å; Q285-Y287 PolarHBondContact O-N 2.98Å; Q285-Q288 PolarHBondContact O-N 3.32Å; Q285-V289 WeakPolarHBondContact O-CG2 3.41Å; Q285-V289 PolarHBondContact O-N 3.14Å
286	L	90.9	Very high	91.9	Very high	63 Å²	63	94.1 Å²	94.1	33%	0.33	46%	0.457	S	S	.	.	H	α-helix	trans	-55.6	-45.2	173.7	-89.9	170.3	0	0	0	111.9	Y282 M283 Q288 V289 Q290	Y282-L286 HydrophobicContact CD1-CD1 3.89Å; Y282-L286 HydrophobicContact CE1-CD1 3.35Å; Y282-L286 HydrophobicContact CE1-CG 4.18Å; Y282-L286 HydrophobicContact CE2-CD1 4.5Å; Y282-L286 PolarHBondContact O-N 3Å; M283-L286 PolarHBondContact O-N 3.02Å; M283-L286 HydrophobicContact SD-CD1 3.85Å; L286-Q288 PolarHBondContact O-N 3.03Å; L286-V289 PolarHBondContact O-N 2.93Å; L286-Q290 WeakPolarHBondContact O-CB 3.36Å; L286-Q290 PolarHBondContact O-N 3.25Å
287	Y	92.2	Very high	91.7	Very high	150 Å²	150	92 Å²	92	59%	0.588	46%	0.457	S	S	*	.	H	α-helix	trans	-62.7	-41.6	178.9	-176.9	-106.8	0	0	0	112.6	M283 Q284 Q285 Q290 L291	M283-Y287 WeakPolarHBondContact O-CB 3.45Å; M283-Y287 PolarHBondContact O-N 3.27Å; Q284-Y287 PolarHBondContact O-N 2.86Å; Q285-Y287 VanDerWaalsContact C-N 3.31Å; Q285-Y287 PolarHBondContact O-N 2.98Å; Y287-Q290 PolarHBondContact O-N 3.33Å; Y287-L291 WeakPolarHBondContact O-CB 3.24Å; Y287-L291 PolarHBondContact O-N 2.88Å
288	Q	92.3	Very high	91.4	Very high	126 Å²	126	92.1 Å²	92.1	59%	0.589	46%	0.461	S	S	*	.	H	α-helix	trans	-62.2	-42.5	173.3	-72.6	-174	11.1	0	0	112.3	Q284 Q285 L286 L291 A292	Q284-Q288 PolarHBondContact O-N 3.25Å; Q284-Q288 VanDerWaalsContact O-N 3.14Å; Q285-Q288 PolarHBondContact O-N 3.32Å; L286-Q288 PolarHBondContact O-N 3.03Å; Q288-L291 PolarHBondContact O-N 2.73Å; Q288-A292 WeakPolarHBondContact O-CB 3.45Å; Q288-A292 PolarHBondContact O-N 2.95Å
289	V	94.3	Very high	91	Very high	73 Å²	73	95.1 Å²	95.1	44%	0.442	48%	0.475	S	S	.	.	H	α-helix	trans	-64.5	-42.6	177.6	172.1	0	0	0	0	111.1	Q285 L286 A292 Q293	Q285-V289 WeakPolarHBondContact O-CG2 3.41Å; Q285-V289 PolarHBondContact O-N 3.14Å; L286-V289 PolarHBondContact O-N 2.93Å; V289-A292 PolarHBondContact O-N 2.83Å; V289-Q293 WeakPolarHBondContact O-CG 3.49Å; V289-Q293 PolarHBondContact O-N 2.84Å
290	Q	90.9	Very high	90.5	Very high	129 Å²	129	99.9 Å²	99.9	60%	0.603	50%	0.496	S	S	*	.	H	α-helix	trans	-65.1	-42.1	177.6	-173.9	175.3	-2.2	0	0	111.9	L286 Y287 Q293 Q294	L286-Q290 WeakPolarHBondContact O-CB 3.36Å; L286-Q290 PolarHBondContact O-N 3.25Å; Y287-Q290 PolarHBondContact O-N 3.33Å; Q290-Q293 PolarHBondContact O-N 3.13Å; Q290-Q294 PolarHBondContact O-N 2.64Å
291	L	91.8	Very high	89.7	Confident	68 Å²	68	101.3 Å²	101.3	36%	0.356	50%	0.503	S	S	.	.	H	α-helix	trans	-63.5	-43.3	175.9	-174.4	66.2	0	0	0	111.6	Y287 Q288 Q294 Q295	Y287-L291 WeakPolarHBondContact O-CB 3.24Å; Y287-L291 PolarHBondContact O-N 2.88Å; Q288-L291 PolarHBondContact O-N 2.73Å; L291-Q294 PolarHBondContact O-N 2.91Å; L291-Q295 WeakPolarHBondContact O-CG 3.4Å; L291-Q295 PolarHBondContact O-N 3.18Å
292	A	92.4	Very high	89	Confident	54 Å²	54	101.9 Å²	101.9	45%	0.446	51%	0.505	S	S	.	.	H	α-helix	trans	-63.6	-39.9	175.8	0	0	0	0	0	112.3	Q288 V289 Q295 A296	Q288-A292 WeakPolarHBondContact O-CB 3.45Å; Q288-A292 PolarHBondContact O-N 2.95Å; V289-A292 PolarHBondContact O-N 2.83Å; A292-Q295 PolarHBondContact O-N 3.29Å; A292-A296 WeakPolarHBondContact O-CB 3.5Å; A292-A296 PolarHBondContact O-N 3.13Å
293	Q	91.3	Very high	87.8	Confident	135 Å²	135	103.8 Å²	103.8	63%	0.631	52%	0.518	S	S	*	.	H	α-helix	trans	-64.3	-41.3	173.6	-76.8	-175.1	-4.4	0	0	112.3	V289 Q290 A296 A297	V289-Q293 WeakPolarHBondContact O-CG 3.49Å; V289-Q293 PolarHBondContact O-N 2.84Å; Q290-Q293 PolarHBondContact O-N 3.13Å; Q293-A296 PolarHBondContact O-N 3.44Å; Q293-A297 WeakPolarHBondContact O-CB 3.41Å; Q293-A297 PolarHBondContact O-N 3.4Å
294	Q	88.8	Confident	86.4	Confident	117 Å²	117	106.6 Å²	106.6	55%	0.547	53%	0.53	S	S	.	.	H	α-helix	trans	-63.5	-43.5	176.9	-173.9	-179.8	76.3	0	0	111.7	Q290 L291 A297 L298	Q290-Q294 PolarHBondContact O-N 2.64Å; L291-Q294 PolarHBondContact O-N 2.91Å; Q294-A297 PolarHBondContact O-N 3.38Å; Q294-L298 HydrophobicContact CG-CD1 4.37Å; Q294-L298 WeakPolarHBondContact O-CG 3.47Å; Q294-L298 PolarHBondContact O-N 2.96Å
295	Q	88.4	Confident	84.7	Confident	106 Å²	106	105.2 Å²	105.2	50%	0.495	53%	0.526	S	S	.	.	H	α-helix	trans	-62.2	-43.5	175.2	-71.1	175.8	0.9	0	0	112	L291 A292 A297 L298 Q299	L291-Q295 WeakPolarHBondContact O-CG 3.4Å; L291-Q295 PolarHBondContact O-N 3.18Å; A292-Q295 PolarHBondContact O-N 3.29Å; Q295-A297 VanDerWaalsContact C-N 3.35Å; Q295-A297 PolarHBondContact O-N 2.78Å; Q295-L298 PolarHBondContact O-N 2.72Å; Q295-Q299 WeakPolarHBondContact O-CG 3.3Å; Q295-Q299 PolarHBondContact O-N 3.38Å
296	A	89.1	Confident	82.9	Confident	53 Å²	53	105.8 Å²	105.8	44%	0.438	53%	0.534	S	S	.	.	H	α-helix	trans	-64.9	-36.6	176.1	0	0	0	0	0	112.7	A292 Q293 K300	A292-A296 WeakPolarHBondContact O-CB 3.5Å; A292-A296 PolarHBondContact O-N 3.13Å; Q293-A296 PolarHBondContact O-N 3.44Å; A296-K300 WeakPolarHBondContact O-CB 2.95Å; A296-K300 PolarHBondContact O-N 3.11Å
297	A	87.7	Confident	81.2	Confident	59 Å²	59	107.4 Å²	107.4	49%	0.488	55%	0.55	S	S	.	*	H	α-helix	trans	-65.2	-44.8	175.3	0	0	0	0	0	111.8	Q293 Q294 Q295 K300 Q301	Q293-A297 WeakPolarHBondContact O-CB 3.41Å; Q293-A297 PolarHBondContact O-N 3.4Å; Q294-A297 PolarHBondContact O-N 3.38Å; Q295-A297 VanDerWaalsContact C-N 3.35Å; Q295-A297 PolarHBondContact O-N 2.78Å; A297-K300 PolarHBondContact O-N 3.46Å; A297-Q301 PolarHBondContact O-N 2.7Å
298	L	86.5	Confident	79.6	Confident	91 Å²	91	106.4 Å²	106.4	48%	0.476	55%	0.554	S	S	.	*	H	α-helix	trans	-62.9	-44	176.9	-73.1	168.7	0	0	0	112.2	Q294 Q295 K300 Q301 Q302	Q294-L298 HydrophobicContact CG-CD1 4.37Å; Q294-L298 WeakPolarHBondContact O-CG 3.47Å; Q294-L298 PolarHBondContact O-N 2.96Å; Q295-L298 PolarHBondContact O-N 2.72Å; L298-K300 VanDerWaalsContact C-N 3.31Å; L298-K300 PolarHBondContact O-N 2.8Å; L298-Q301 PolarHBondContact O-N 2.88Å; L298-Q302 WeakPolarHBondContact O-CG 3.5Å; L298-Q302 PolarHBondContact O-N 2.89Å
299	Q	85.6	Confident	77.7	Confident	117 Å²	117	108.2 Å²	108.2	55%	0.547	57%	0.565	S	S	.	*	H	α-helix	trans	-59.8	-41.2	174.3	-73.6	176.7	0.8	0	0	112	Q295 Q302 Q303	Q295-Q299 WeakPolarHBondContact O-CG 3.3Å; Q295-Q299 PolarHBondContact O-N 3.38Å; Q299-Q302 PolarHBondContact O-N 3.26Å; Q299-Q303 WeakPolarHBondContact O-CG 3.35Å; Q299-Q303 PolarHBondContact O-N 3.3Å; Q299-Q303 VanDerWaalsContact O-N 3.09Å
300	K	82.9	Confident	75.7	Confident	139 Å²	139	113.8 Å²	113.8	60%	0.604	59%	0.585	S	S	*	*	H	α-helix	trans	-68.5	-34.3	177.8	-164.8	175	-176.1	-177.4	0	112.3	A296 A297 L298 Q303 Q304	A296-K300 WeakPolarHBondContact O-CB 2.95Å; A296-K300 PolarHBondContact O-N 3.11Å; A297-K300 PolarHBondContact O-N 3.46Å; L298-K300 VanDerWaalsContact C-N 3.31Å; L298-K300 PolarHBondContact O-N 2.8Å; K300-Q303 PolarHBondContact O-N 3.48Å; K300-Q304 PolarHBondContact O-N 3.38Å; K300-Q304 VanDerWaalsContact O-N 3.14Å
301	Q	76.1	Confident	73.6	Confident	121 Å²	121	110.7 Å²	110.7	57%	0.565	59%	0.589	S	S	*	*	H	α-helix	trans	-69.7	-38.9	174.5	-166	175.3	26.2	0	0	112.1	A297 L298 Q304 N305	A297-Q301 PolarHBondContact O-N 2.7Å; L298-Q301 PolarHBondContact O-N 2.88Å; Q301-Q304 PolarHBondContact O-N 3.46Å; Q301-N305 PolarHBondContact O-N 3.15Å
302	Q	74.9	Confident	71	Confident	129 Å²	129	113.4 Å²	113.4	60%	0.603	61%	0.613	S	S	*	*	H	α-helix	trans	-59.6	-46.2	171.7	-73.7	175.2	-32	0	0	111.5	L298 Q299 Q304 N305 D306	L298-Q302 WeakPolarHBondContact O-CG 3.5Å; L298-Q302 PolarHBondContact O-N 2.89Å; Q299-Q302 PolarHBondContact O-N 3.26Å; Q302-Q304 VanDerWaalsContact C-N 3.26Å; Q302-Q304 PolarHBondContact O-N 2.94Å; Q302-N305 PolarHBondContact O-N 3.3Å; Q302-D306 PolarHBondContact O-N 3.46Å
303	Q	69.7	Low	68.5	Low	128 Å²	128	117.7 Å²	117.7	60%	0.598	63%	0.628	S	S	*	*	H	α-helix	trans	-62.4	-28.6	176.1	-70.4	170.9	2.3	0	0	113.7	Q299 K300 S307	Q299-Q303 WeakPolarHBondContact O-CG 3.35Å; Q299-Q303 PolarHBondContact O-N 3.3Å; Q299-Q303 VanDerWaalsContact O-N 3.09Å; K300-Q303 PolarHBondContact O-N 3.48Å; Q303-S307 PolarHBondContact O-OG 2.83Å; Q303-S307 VanDerWaalsContact O-OG 3.06Å
304	Q	61.3	Low	65.8	Low	126 Å²	126	118.7 Å²	118.7	59%	0.589	64%	0.637	S	S	*	*	H	α-helix	trans	-75	-37.6	170.8	-73	-172	-84.3	0	0	112.5	K300 Q301 Q302 S307 L308	K300-Q304 PolarHBondContact O-N 3.38Å; K300-Q304 VanDerWaalsContact O-N 3.14Å; Q301-Q304 PolarHBondContact O-N 3.46Å; Q302-Q304 VanDerWaalsContact C-N 3.26Å; Q302-Q304 PolarHBondContact O-N 2.94Å; Q304-S307 WeakPolarHBondContact O-CB 3.47Å; Q304-S307 PolarHBondContact O-N 3.04Å; Q304-L308 WeakPolarHBondContact O-CG 3.4Å
305	N	57.3	Low	63.4	Low	101 Å²	101	118.1 Å²	118.1	54%	0.54	65%	0.653	S	S	.	*	H	α-helix	trans	-65.8	-41.9	177	-109.2	17.4	0	0	0	112.5	Q301 Q302 S307 L308	Q301-N305 PolarHBondContact O-N 3.15Å; Q302-N305 PolarHBondContact O-N 3.3Å; N305-S307 PolarHBondContact O-N 2.68Å; N305-L308 PolarHBondContact O-N 2.7Å
306	D	56.6	Low	61	Low	137 Å²	137	120.4 Å²	120.4	73%	0.733	67%	0.668	S	S	*	*	H	α-helix	trans	-61	-24.2	175.4	-74	-22.2	0	0	0	112.6	Q302	Q302-D306 PolarHBondContact O-N 3.46Å
307	S	55.8	Low	58.4	Low	97 Å²	97	123.1 Å²	123.1	68%	0.678	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.1	-13.2	176.5	-59.6	0	0	0	0	114.1	Q303 Q304 N305	Q303-S307 PolarHBondContact O-OG 2.83Å; Q303-S307 VanDerWaalsContact O-OG 3.06Å; Q304-S307 WeakPolarHBondContact O-CB 3.47Å; Q304-S307 PolarHBondContact O-N 3.04Å; N305-S307 PolarHBondContact O-N 2.68Å
308	L	57.4	Low	55.7	Low	128 Å²	128	128.5 Å²	128.5	67%	0.67	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.3	-18.6	-172.9	-72.3	166.7	0	0	0	113.7	Q304 N305 H310	Q304-L308 WeakPolarHBondContact O-CG 3.4Å; N305-L308 PolarHBondContact O-N 2.7Å; L308-H310 PolarHBondContact O-N 2.95Å
309	M	53.5	Low	53.5	Low	164 Å²	164	130.5 Å²	130.5	81%	0.808	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.4	30	-179.4	-74.8	-70	-179	0	0	114.8
310	H	52.4	Low	51.1	Low	190 Å²	190	130.3 Å²	130.3	88%	0.88	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-137.5	15.5	-178.1	-127.8	71.9	0	0	0	114.5	L308	L308-H310 PolarHBondContact O-N 2.95Å
311	G	46.8	Very low	48.7	Very low	65 Å²	65	127.8 Å²	127.8	67%	0.67	73%	0.733	S	S	*	*			trans	-135.4	119.2	-171.6	0	0	0	0	0	116
312	S	35.8	Very low	46.6	Very low	124 Å²	124	129.3 Å²	129.3	87%	0.867	75%	0.745	S	S	*	*			trans	81.8	136	160.7	-139.7	0	0	0	0	120.3
313	L	39.8	Very low	44.7	Very low	144 Å²	144	128.6 Å²	128.6	75%	0.754	75%	0.75	S	S	*	*			trans	-118.5	-175.6	160.2	-76.1	166.7	0	0	0	108.5
314	D	34.8	Very low	42.9	Very low	156 Å²	156	127.8 Å²	127.8	83%	0.834	75%	0.753	S	S	*	*			trans	66	116.2	158.6	-54.2	-31	0	0	0	120.6
315	A	38.3	Very low	41.4	Very low	106 Å²	106	127.4 Å²	127.4	88%	0.876	77%	0.765	S	S	*	*				176.3	152.9	107	0	0	0	0	0	112.4
316	N	38.2	Very low	40.1	Very low	153 Å²	153	127.1 Å²	127.1	82%	0.818	78%	0.776	S	S	*	*			trans	-156.5	132.9	179.5	-174.4	22.5	0	0	0	111.9
317	S	33.8	Very low	38.9	Very low	110 Å²	110	126.6 Å²	126.6	77%	0.769	78%	0.783	S	S	*	*			trans	-178.5	172.6	175.7	-165.5	0	0	0	0	112.6
318	F	32.7	Very low	37.7	Very low	173 Å²	173	126 Å²	126	76%	0.759	78%	0.784	S	S	*	*				-170.1	148	-73.6	-131.3	-75.5	0	0	0	110.2
319	N	39	Very low	36.4	Very low	133 Å²	133	125.1 Å²	125.1	71%	0.711	80%	0.796	S	S	*	*			trans	67.6	116.5	152.8	-108.9	26.5	0	0	0	125.4
320	S	36.3	Very low	35.2	Very low	113 Å²	113	121 Å²	121	79%	0.79	80%	0.795	S	S	*	*				57.4	143.7	109.7	-52.3	0	0	0	0	125.8
321	G	32.3	Very low	34.1	Very low	86 Å²	86	118.3 Å²	118.3	89%	0.887	79%	0.792	S	S	*	*			trans	-171.2	145.6	162.2	0	0	0	0	0	113.7
322	D	31.5	Very low	33.2	Very low	153 Å²	153	123.1 Å²	123.1	82%	0.818	80%	0.802	S	S	*	*			trans	-140.5	176	-174.5	169.8	48.2	0	0	0	110.6
323	V	35.6	Very low	32.8	Very low	114 Å²	114	122.8 Å²	122.8	69%	0.691	80%	0.798	S	S	*	*			trans	169	115.3	140.4	150	0	0	0	0	116.6
324	T	31.9	Very low	32.1	Very low	111 Å²	111	120.7 Å²	120.7	68%	0.681	80%	0.801	S	S	*	*			trans	54.6	147.2	146.6	67	0	0	0	0	123.1
325	S	30.3	Very low	31.6	Very low	118 Å²	118	117.7 Å²	117.7	83%	0.825	80%	0.798	S	S	*	*			cis	89.4	140.1	21.4	-59.9	0	0	0	0	116.8
326	A	29.8	Very low	31.2	Very low	94 Å²	94	118.2 Å²	118.2	78%	0.777	80%	0.796	S	S	*	*			cis	-173.5	174.8	-12.1	0	0	0	0	0	112.4
327	S	30.2	Very low	31.3	Very low	126 Å²	126	116.2 Å²	116.2	88%	0.881	79%	0.791	S	S	*	*			trans	80.4	153.8	157.7	-144.9	0	0	0	0	120
328	A	31	Very low	30.9	Very low	85 Å²	85	118.6 Å²	118.6	70%	0.702	79%	0.794	S	S	*	*			cis	-170.4	160.5	-33	0	0	0	0	0	113.4
329	A	31.1	Very low	30.7	Very low	110 Å²	110	115.1 Å²	115.1	91%	0.909	79%	0.791	S	S	*	*			trans	45.5	141.3	149.1	0	0	0	0	0	125
330	G	27.7	Very low	30.2	Very low	77 Å²	77	112.8 Å²	112.8	79%	0.794	79%	0.785	S	S	*	*			trans	167.1	132.6	160.4	0	0	0	0	0	115
331	T	28.9	Very low	29.9	Very low	134 Å²	134	116 Å²	116	82%	0.822	79%	0.788	S	S	*	*			trans	-139.3	141.4	-173.3	-55.6	0	0	0	0	112.2
332	L	27.6	Very low	29.9	Very low	166 Å²	166	120.2 Å²	120.2	87%	0.869	79%	0.785	S	S	*	*			trans	171.9	173	136.1	-92.6	167	0	0	0	113.6
333	C	27.1	Very low	29.9	Very low	116 Å²	116	116.8 Å²	116.8	78%	0.784	78%	0.777	S	S	*	*			trans	-98.4	164.4	-158.6	-43.1	0	0	0	0	116.3
334	A	25.9	Very low	30.2	Very low	100 Å²	100	116.3 Å²	116.3	83%	0.826	78%	0.776	S	S	*	*				171.8	150.2	117.8	0	0	0	0	0	116.7
335	A	25.1	Very low	30.1	Very low	93 Å²	93	117.1 Å²	117.1	77%	0.769	78%	0.781	S	S	*	*			trans	70	108.8	149.7	0	0	0	0	0	123.6
336	S	29.4	Very low	30	Very low	118 Å²	118	116.8 Å²	116.8	83%	0.825	77%	0.774	S	S	*	*				27	166.9	112.5	-43.1	0	0	0	0	121.9
337	P	39.8	Very low	29.8	Very low	111 Å²	111	119.7 Å²	119.7	72%	0.721	78%	0.777	S	S	*	*			cis	-147.1	-160.6	18.5	41.1	-17.3	0	0	0	117.5
338	L	26.6	Very low	29.6	Very low	160 Å²	160	117.4 Å²	117.4	84%	0.838	77%	0.773	S	S	*	*			trans	78.8	140.7	167	-62.6	155.4	0	0	0	116.6
339	S	28.1	Very low	29.4	Very low	100 Å²	100	117.3 Å²	117.3	70%	0.699	78%	0.78	S	S	*	*			cis	-162.2	-175.9	-14.2	68.2	0	0	0	0	108
340	S	28.3	Very low	29.4	Very low	83 Å²	83	121.1 Å²	121.1	58%	0.58	78%	0.779	S	S	*	*			cis	-166.4	159.3	-0.7	18.9	0	0	0	0	108.4
341	E	30.1	Very low	29.4	Very low	180 Å²	180	123.2 Å²	123.2	84%	0.841	78%	0.782	S	S	*	*			trans	45.5	148	144.6	-64.3	161.6	-178.2	0	0	121.5
342	E	31.8	Very low	29.4	Very low	176 Å²	176	124.3 Å²	124.3	82%	0.822	78%	0.783	S	S	*	*			cis	-175.4	132.5	-18.8	-106.1	-153.3	140.2	0	0	103.7
343	A	31	Very low	29.5	Very low	81 Å²	81	121 Å²	121	67%	0.669	77%	0.773	S	S	*	*				79.1	159.1	82.5	0	0	0	0	0	114.8
344	P	43.1	Very low	29.5	Very low	103 Å²	103	125.3 Å²	125.3	67%	0.669	78%	0.775	S	S	*	*			cis	-142.6	-167.3	-23.5	33.6	-11	0	0	0	115.7
345	T	28.8	Very low	29.7	Very low	128 Å²	128	124.3 Å²	124.3	79%	0.785	76%	0.762	S	S	*	*			trans	70.5	150.5	145.5	45.5	0	0	0	0	122.1
346	V	28.2	Very low	29.9	Very low	111 Å²	111	128.2 Å²	128.2	67%	0.673	76%	0.764	S	S	*	*			cis	-169.5	152.2	-26	87.8	0	0	0	0	111.4
347	N	26.4	Very low	29.8	Very low	156 Å²	156	126.5 Å²	126.5	83%	0.834	75%	0.752	S	S	*	*			trans	54.1	157.4	164.5	-62.3	-12.3	0	0	0	119.4
348	G	26.6	Very low	29.4	Very low	78 Å²	78	129.5 Å²	129.5	80%	0.804	76%	0.758	S	S	*	*			cis	131.2	134.6	-4.2	0	0	0	0	0	113
349	G	26.7	Very low	29.5	Very low	83 Å²	83	128.9 Å²	128.9	86%	0.856	76%	0.756	S	S	*	*			trans	159.4	142.9	173	0	0	0	0	0	115.3
350	Q	30.1	Very low	29.6	Very low	189 Å²	189	134.8 Å²	134.8	88%	0.883	76%	0.763	S	S	*	*			trans	-114.4	161.2	174.3	-58.7	156.3	-93.3	0	0	109.9
351	S	28.7	Very low	29.6	Very low	122 Å²	122	138 Å²	138	85%	0.853	77%	0.769	S	S	*	*			trans	-172.6	153.4	139.6	13.7	0	0	0	0	112.8
352	D	28.1	Very low	30	Very low	157 Å²	157	134.1 Å²	134.1	84%	0.84	76%	0.759	S	S	*	*			trans	-97.8	175.7	-175.3	-40.5	-100.6	0	0	0	113.7
353	S	29.7	Very low	29.8	Very low	96 Å²	96	133.2 Å²	133.2	67%	0.671	76%	0.755	S	S	*	*				145	140.6	116	-164.5	0	0	0	0	115.9
354	Y	27.7	Very low	30.4	Very low	206 Å²	206	134.7 Å²	134.7	81%	0.808	76%	0.758	S	S	*	*			trans	40.5	156	141.7	98.5	-45.3	0	0	0	123
355	S	29.8	Very low	29.9	Very low	79 Å²	79	134 Å²	134	55%	0.552	76%	0.76	S	S	*	*			cis	-179.6	155.7	-18.2	50.3	0	0	0	0	111.5
356	E	28.3	Very low	30	Very low	176 Å²	176	137.4 Å²	137.4	82%	0.822	77%	0.767	S	S	*	*			trans	61.1	164.7	149	-77.8	-158.8	75.5	0	0	120.6
357	S	29.1	Very low	30.2	Very low	81 Å²	81	140.8 Å²	140.8	57%	0.566	78%	0.776	S	S	*	*			cis	-169.4	171.6	-31.4	58.8	0	0	0	0	110.6
358	M	30.9	Very low	30.4	Very low	174 Å²	174	139.5 Å²	139.5	86%	0.857	77%	0.774	S	S	*	*			trans	70.5	161.1	167.1	-65.9	-167.1	154.9	0	0	119.7
359	D	28.5	Very low	30.4	Very low	147 Å²	147	140.5 Å²	140.5	79%	0.786	77%	0.768	S	S	*	*			cis	179.9	173.2	-34.1	-156.7	-22.3	0	0	0	107.8
360	R	29.1	Very low	31	Very low	224 Å²	224	144.3 Å²	144.3	85%	0.845	76%	0.764	S	S	*	*			trans	98.2	100.7	146.2	-160.4	176.3	-168	139.8	7.2	123.5
361	E	29.6	Very low	31.3	Very low	152 Å²	152	142.3 Å²	142.3	71%	0.71	76%	0.759	S	S	*	*			trans	-76.5	171.7	140.8	-96.5	-77.2	106.1	0	0	110.9
362	P	38.9	Very low	31.4	Very low	98 Å²	98	139.8 Å²	139.8	64%	0.636	75%	0.752	S	S	*	*			cis	-152.7	180	34	47.4	-26.5	0	0	0	120.1
363	E	26.8	Very low	31.9	Very low	156 Å²	156	138 Å²	138	73%	0.729	75%	0.749	S	S	*	*			trans	18.3	159.6	135.4	-71	-77.2	154.8	0	0	122.7
364	P	43.7	Very low	32.6	Very low	112 Å²	112	142 Å²	142	73%	0.727	76%	0.762	S	S	*	*			cis	-138.5	-177.6	2.3	40.3	-20.4	0	0	0	118.3
365	A	32	Very low	33.1	Very low	88 Å²	88	139.6 Å²	139.6	73%	0.727	76%	0.762	S	S	*	*			trans	-30.7	158.2	169.8	0	0	0	0	0	124.1
366	E	30.7	Very low	34	Very low	200 Å²	200	141.2 Å²	141.2	94%	0.935	78%	0.78	S	S	*	*			trans	-144.8	166.8	140.1	-85.1	-149.3	151.7	0	0	111.3
367	E	32.6	Very low	34.9	Very low	183 Å²	183	140.1 Å²	140.1	86%	0.855	78%	0.78	S	S	*	*			trans	-107.6	175.9	-172.6	-68.9	-173.7	117.5	0	0	114.9
368	V	29.8	Very low	36.1	Very low	129 Å²	129	140.9 Å²	140.9	78%	0.782	79%	0.786	S	S	*	*			trans	105.6	129.1	147.7	-174.3	0	0	0	0	120.5
369	S	28.6	Very low	37.9	Very low	99 Å²	99	137.8 Å²	137.8	69%	0.692	78%	0.778	S	S	*	*			trans	73.9	96.7	155.5	-77.5	0	0	0	0	123.4
370	E	37.4	Very low	40.2	Very low	163 Å²	163	134 Å²	134	76%	0.762	76%	0.762	S	S	*	*				64.7	122.9	101.4	-172.1	172.2	-178.6	0	0	121.6
371	N	38	Very low	42.9	Very low	147 Å²	147	129.5 Å²	129.5	79%	0.786	76%	0.759	S	S	*	*			trans	68.6	75.3	159.2	-66.5	-30.2	0	0	0	119.2
372	G	30.5	Very low	46	Very low	68 Å²	68	125.2 Å²	125.2	70%	0.701	74%	0.741	S	S	*	*			trans	-119	166.3	154.1	0	0	0	0	0	111.9
373	P	37.9	Very low	48.6	Very low	120 Å²	120	122.1 Å²	122.1	78%	0.779	72%	0.723	S	S	*	*			trans	-70.7	157.3	-176.6	30.3	-35.9	0	0	0	113.2	L375	P373-L375 PolarHBondContact O-N 2.87Å
374	L	45.2	Very low	51.9	Low	181 Å²	181	119.1 Å²	119.1	95%	0.948	73%	0.725	S	S	*	*			trans	-54.6	103.1	179.2	-72.1	168.2	0	0	0	112.5
375	L	38.4	Very low	54.5	Low	154 Å²	154	115.9 Å²	115.9	81%	0.806	70%	0.704	S	S	*	*			trans	-103.7	122.9	159.6	-66.4	176.9	0	0	0	107.7	P373 D377	P373-L375 PolarHBondContact O-N 2.87Å; L375-D377 VanDerWaalsContact C-N 3.26Å; L375-D377 PolarHBondContact O-N 2.88Å
376	A	47.4	Very low	57.6	Low	113 Å²	113	114.8 Å²	114.8	93%	0.934	69%	0.691	S	S	*	*	S	Bend	trans	-83.3	72.6	178	0	0	0	0	0	109.9
377	D	47.1	Very low	60.8	Low	153 Å²	153	108.5 Å²	108.5	82%	0.818	66%	0.663	S	S	*	*			trans	-150.8	35.2	176.5	-147.6	13	0	0	0	112.1	L375	L375-D377 VanDerWaalsContact C-N 3.26Å; L375-D377 PolarHBondContact O-N 2.88Å
378	S	55.6	Low	64	Low	98 Å²	98	105 Å²	105	69%	0.685	64%	0.642	S	S	*	*	S	Bend	trans	-84.6	131.8	162.9	57.4	0	0	0	0	108.6
379	P	68.3	Low	67.2	Low	108 Å²	108	101.7 Å²	101.7	70%	0.701	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-57.9	146	177.9	24.7	-34	0	0	0	111	V381	P379-V381 PolarHBondContact O-N 2.84Å
380	P	76.8	Confident	70.5	Confident	67 Å²	67	99.9 Å²	99.9	44%	0.435	60%	0.6	S	S	.	*	P	Polyproline II helix	trans	-61	127.6	-175.4	23.6	-32.8	0	0	0	111.2	I382 W448	P380-I382 PolarHBondContact O-N 3.08Å; P380-I382 VanDerWaalsContact O-N 3.1Å; P380-W448 HydrophobicContact CB-CH2 3.4Å; P380-W448 VanDerWaalsContact CB-CH2 3.4Å; P380-W448 HydrophobicContact CB-CZ2 3.78Å; P380-W448 HydrophobicContact CB-CZ3 4.33Å; P380-W448 HydrophobicContact CG-CH2 3.46Å; P380-W448 VanDerWaalsContact CG-CH2 3.46Å; P380-W448 HydrophobicContact CG-CZ2 3.41Å; P380-W448 VanDerWaalsContact CG-CZ2 3.41Å; P380-W448 HydrophobicContact CG-CZ3 4.3Å
381	V	86.6	Confident	73.3	Confident	131 Å²	131	96.2 Å²	96.2	79%	0.794	59%	0.59	S	S	*	*			trans	-79.6	98.5	-178.3	-177.8	0	0	0	0	109.5	P379	P379-V381 PolarHBondContact O-N 2.84Å
382	I	93	Very high	76.1	Confident	62 Å²	62	93.8 Å²	93.8	32%	0.318	57%	0.574	S	S	.	*	P	Polyproline II helix	trans	-71.8	128.6	175.1	-55.1	174.7	0	0	0	108.9	P380 D491 I493 P513	P380-I382 PolarHBondContact O-N 3.08Å; P380-I382 VanDerWaalsContact O-N 3.1Å; I382-D491 HydrophobicContact CD1-CB 3.72Å; I382-D491 WeakPolarHBondContact CD1-OD2 3.4Å; I382-I493 HydrophobicContact CG2-CD1 3.64Å; I382-P513 HydrophobicContact CG1-CB 4.16Å
383	A	94.4	Very high	79.3	Confident	33 Å²	33	91.5 Å²	91.5	27%	0.273	55%	0.545	S	S	.	.	P	Polyproline II helix	trans	-83.7	153.6	179.5	0	0	0	0	0	110.9	H510 Q511	A383-H510 PolarHBondContact O-CD2 2.94Å; A383-H510 PolarHBondContact O-NE2 3.01Å; A383-Q511 HydrophobicContact CB-CB 4.03Å
384	A	96.5	Very high	82.1	Confident	93 Å²	93	93.7 Å²	93.7	77%	0.769	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-67	130.9	168.6	0	0	0	0	0	109.9
385	P	97.5	Very high	84.6	Confident	43 Å²	43	90.2 Å²	90.2	28%	0.279	53%	0.525	S	S	.	.	P	Polyproline II helix	trans	-69.4	152.1	174.7	32.5	-39.1	0	0	0	111.1	W431 I493 V494 S509 H510	P385-W431 HydrophobicContact CB-CH2 4.28Å; P385-I493 HydrophobicContact CB-CG2 4.11Å; P385-I493 HydrophobicContact CG-CG2 4.27Å; P385-I493 VanDerWaalsContact CG-O 3.31Å; P385-I493 WeakPolarHBondContact CG-O 3.46Å; P385-V494 HydrophobicContact CB-CG2 3.92Å; P385-V494 HydrophobicContact CG-CG2 3.74Å; P385-S509 WeakPolarHBondContact CA-O 3.35Å; P385-H510 HydrophobicContact CB-CB 4.28Å
386	S	98.1	Very high	87.5	Confident	66 Å²	66	83.4 Å²	83.4	46%	0.462	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	136.4	167.3	-67.8	0	0	0	0	109.7	G508 S509	S386-G508 CarbonylContact O-C 3.46Å; S386-G508 WeakPolarHBondContact O-CA 3.5Å; S386-S509 PolarHBondContact N-O 3.5Å; S386-S509 PolarHBondContact O-N 3.11Å
387	M	97.6	Very high	89.9	Confident	68 Å²	68	78.8 Å²	78.8	34%	0.335	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	137.6	178.3	-76.1	-69.8	-64.9	0	0	110	W431 F442 Y506 A507	M387-W431 HydrophobicContact SD-CZ2 3.63Å; M387-W431 PolarHBondContact SD-NE1 2.79Å; M387-W431 VanDerWaalsContact SD-NE1 3.42Å; M387-F442 HydrophobicContact CE-CE1 4.49Å; M387-Y506 HydrophobicContact CE-CD1 4.37Å; M387-A507 WeakPolarHBondContact CA-O 3.36Å
388	W	98.4	Very high	92.3	Very high	109 Å²	109	77.7 Å²	77.7	41%	0.413	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	171.3	179.1	62.4	94.3	0	0	0	111.4	F430 A507	W388-F430 HydrophobicContact CH2-CD1 4.07Å; W388-F430 HydrophobicContact CH2-CE1 4.04Å; W388-F430 HydrophobicContact CZ2-CD1 4.47Å; W388-A507 HydrophobicContact CD2-CB 4.29Å; W388-A507 HydrophobicContact CG-CB 4.43Å; W388-A507 HydrophobicContact CZ2-CB 4.06Å; W388-A507 PolarHBondContact N-O 3.14Å; W388-A507 PolarHBondContact O-N 3.31Å
389	T	98.2	Very high	94.3	Very high	59 Å²	59	79.2 Å²	79.2	36%	0.362	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	170	175.5	61.1	0	0	0	0	111.8	E504 V505 Y506	T389-E504 WeakPolarHBondContact CB-OE2 3.42Å; T389-E504 PolarHBondContact OG1-OE2 2.86Å; T389-V505 CarbonylContact C-O 3.51Å; T389-V505 WeakPolarHBondContact CA-O 3.24Å; T389-Y506 HydrophobicContact CG2-CD1 3.95Å; T389-Y506 HydrophobicContact CG2-CD2 3.93Å; T389-Y506 HydrophobicContact CG2-CE1 3.86Å; T389-Y506 HydrophobicContact CG2-CE2 3.86Å; T389-Y506 HydrophobicContact CG2-CG 3.99Å
390	R	97.4	Very high	95.6	Very high	62 Å²	62	74.6 Å²	74.6	23%	0.234	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	150.4	164.6	64.5	161.7	-175.6	-94.5	1.2	113	Q392 E432 E504 V505	R390-Q392 PolarHBondContact O-N 3.1Å; R390-E432 IonicContact CZ-OE1 2.61Å; R390-E432 IonicContact NH1-OE1 3.66Å; R390-E432 PolarHBondContact NH1-OE1 3.03Å; R390-E432 IonicContact NH2-OE1 3.18Å; R390-E432 PolarHBondContact NH2-OE1 2.8Å; R390-E504 WeakPolarHBondContact O-CB 3.38Å; R390-V505 HydrophobicContact CG-CB 3.82Å; R390-V505 HydrophobicContact CG-CG2 4.19Å; R390-V505 PolarHBondContact N-O 2.86Å; R390-V505 PolarHBondContact O-N 3.07Å
391	P	96.9	Very high	96.5	Very high	85 Å²	85	77.3 Å²	77.3	55%	0.552	40%	0.403	S	S	*	.	S	Bend	trans	-81.6	-8	-175.3	29.9	-35.9	0	0	0	115.3	I393 E504	P391-I393 PolarHBondContact O-N 3.21Å; P391-E504 WeakPolarHBondContact CA-OE1 3.5Å; P391-E504 WeakPolarHBondContact CB-OE1 3.44Å; P391-E504 WeakPolarHBondContact CD-OE1 3.12Å; P391-E504 VanDerWaalsContact N-OE1 3.16Å
392	Q	96.9	Very high	96.9	Very high	97 Å²	97	78.3 Å²	78.3	45%	0.453	40%	0.399	S	S	.	.			trans	-78.2	51.4	-178.5	-61.7	79	12.7	0	0	113.1	R390 F396	R390-Q392 PolarHBondContact O-N 3.1Å; Q392-F396 WeakPolarHBondContact O-CB 2.96Å; Q392-F396 PolarHBondContact O-N 2.93Å
393	I	97.6	Very high	96.8	Very high	19 Å²	19	78.6 Å²	78.6	10%	0.097	40%	0.401	C	S	.	.	H	α-helix	trans	-69.1	-33.1	-176.6	-171.8	166.9	0	0	0	113.7	P391 K397 A434 C501 H502 V505	P391-I393 PolarHBondContact O-N 3.21Å; I393-K397 HydrophobicContact CG1-CD 4.14Å; I393-K397 HydrophobicContact CG1-CG 4.44Å; I393-K397 VanDerWaalsContact O-CG 3.28Å; I393-K397 WeakPolarHBondContact O-CG 3.43Å; I393-K397 PolarHBondContact O-N 2.86Å; I393-A434 HydrophobicContact CD1-CB 3.96Å; I393-A434 HydrophobicContact CG1-CB 3.94Å; I393-C501 WeakPolarHBondContact CD1-O 3.49Å; I393-H502 WeakPolarHBondContact CD1-O 3.21Å; I393-V505 HydrophobicContact CB-CG2 3.99Å; I393-V505 HydrophobicContact CG1-CG2 4.24Å
394	K	97.1	Very high	96.5	Very high	167 Å²	167	81.9 Å²	81.9	73%	0.726	42%	0.419	S	S	*	.	H	α-helix	trans	-67	-55.5	179.4	-64.5	-176.8	-179.1	178	0	110.8	F396 K397 E398	K394-F396 VanDerWaalsContact C-N 3.26Å; K394-F396 PolarHBondContact O-N 2.87Å; K394-K397 PolarHBondContact O-N 3.28Å; K394-E398 WeakPolarHBondContact O-CB 3.24Å; K394-E398 PolarHBondContact O-N 2.86Å
395	D	97.8	Very high	96.2	Very high	107 Å²	107	83.6 Å²	83.6	57%	0.572	42%	0.416	S	S	*	.	H	α-helix	trans	-58.3	-38.8	179.7	-43.5	6.6	0	0	0	111.3	K399	D395-K399 WeakPolarHBondContact O-CB 3.32Å; D395-K399 PolarHBondContact O-N 2.72Å
396	F	98.1	Very high	96	Very high	12 Å²	12	82.5 Å²	82.5	5%	0.053	41%	0.409	C	S	.	.	H	α-helix	trans	-61.8	-57	173.1	174.7	-110.7	0	0	0	111.4	Q392 K394 E398 K399 I400 E432 A434 V505 R537	Q392-F396 WeakPolarHBondContact O-CB 2.96Å; Q392-F396 PolarHBondContact O-N 2.93Å; K394-F396 VanDerWaalsContact C-N 3.26Å; K394-F396 PolarHBondContact O-N 2.87Å; F396-E398 VanDerWaalsContact C-N 3.3Å; F396-E398 PolarHBondContact O-N 2.86Å; F396-K399 PolarHBondContact O-N 3.29Å; F396-K399 VanDerWaalsContact O-N 3.11Å; F396-I400 HydrophobicContact CD1-CG1 4.49Å; F396-I400 HydrophobicContact CD2-CD1 4.36Å; F396-I400 HydrophobicContact CD2-CG1 3.87Å; F396-I400 HydrophobicContact CE1-CG1 4.19Å; F396-I400 HydrophobicContact CE2-CD1 3.84Å; F396-I400 HydrophobicContact CE2-CG1 3.55Å; F396-I400 HydrophobicContact CG-CG1 4.35Å; F396-I400 HydrophobicContact CZ-CD1 4.29Å; F396-I400 HydrophobicContact CZ-CG1 3.73Å; F396-I400 WeakPolarHBondContact O-CG1 3.23Å; F396-I400 PolarHBondContact O-N 2.74Å; F396-E432 HydrophobicContact CE2-CB 3.84Å; F396-E432 HydrophobicContact CZ-CB 3.91Å; F396-A434 HydrophobicContact CD1-CB 3.81Å; F396-A434 HydrophobicContact CE1-CB 3.77Å; F396-V505 HydrophobicContact CB-CG2 3.68Å; F396-V505 HydrophobicContact CD1-CB 4.38Å; F396-V505 HydrophobicContact CD1-CG1 3.7Å; F396-V505 HydrophobicContact CD1-CG2 3.73Å; F396-V505 HydrophobicContact CD2-CG1 4.3Å; F396-V505 HydrophobicContact CE1-CG1 3.76Å; F396-V505 HydrophobicContact CE2-CG1 4.32Å; F396-V505 HydrophobicContact CG-CG1 3.98Å; F396-V505 HydrophobicContact CG-CG2 3.81Å; F396-V505 HydrophobicContact CZ-CG1 4.07Å; F396-R537 HydrophobicContact CE2-CB 4.43Å
397	K	97.8	Very high	96	Very high	16 Å²	16	81.4 Å²	81.4	7%	0.07	40%	0.399	C	S	.	.	H	α-helix	trans	-59.4	-39.2	179.7	-68.6	173.5	176	177.2	0	112.5	I393 K394 I400 R401 A434 T435 D436 Y535	I393-K397 HydrophobicContact CG1-CD 4.14Å; I393-K397 HydrophobicContact CG1-CG 4.44Å; I393-K397 VanDerWaalsContact O-CG 3.28Å; I393-K397 WeakPolarHBondContact O-CG 3.43Å; I393-K397 PolarHBondContact O-N 2.86Å; K394-K397 PolarHBondContact O-N 3.28Å; K397-I400 PolarHBondContact O-N 3.25Å; K397-R401 VanDerWaalsContact O-CG 3.31Å; K397-R401 WeakPolarHBondContact O-CG 3.29Å; K397-R401 PolarHBondContact O-N 3.06Å; K397-A434 HydrophobicContact CG-CB 4.41Å; K397-T435 WeakPolarHBondContact CE-O 3.31Å; K397-T435 PolarHBondContact NZ-O 3.17Å; K397-D436 WeakPolarHBondContact CD-OD1 3.39Å; K397-D436 WeakPolarHBondContact CE-OD1 3.34Å; K397-D436 IonicContact NZ-OD1 3.82Å; K397-D436 PolarHBondContact NZ-OD1 3.22Å; K397-Y535 HydrophobicContact CB-CD1 4.24Å; K397-Y535 HydrophobicContact CB-CD2 4.45Å; K397-Y535 HydrophobicContact CB-CE1 4.38Å; K397-Y535 HydrophobicContact CB-CG 4.28Å; K397-Y535 HydrophobicContact CD-CD2 4.05Å; K397-Y535 HydrophobicContact CD-CE2 3.98Å; K397-Y535 HydrophobicContact CG-CD1 4.3Å; K397-Y535 HydrophobicContact CG-CD2 3.7Å; K397-Y535 HydrophobicContact CG-CE2 4.03Å; K397-Y535 HydrophobicContact CG-CG 3.84Å
398	E	97.6	Very high	95.9	Very high	129 Å²	129	79.1 Å²	79.1	60%	0.603	39%	0.388	S	S	*	.	H	α-helix	trans	-64.2	-38.5	176.3	-175.5	172	-177	0	0	112.5	K394 F396 Q402	K394-E398 WeakPolarHBondContact O-CB 3.24Å; K394-E398 PolarHBondContact O-N 2.86Å; F396-E398 VanDerWaalsContact C-N 3.3Å; F396-E398 PolarHBondContact O-N 2.86Å; E398-Q402 PolarHBondContact O-NE2 2.83Å
399	K	97.2	Very high	95.7	Very high	130 Å²	130	78.2 Å²	78.2	57%	0.565	40%	0.395	S	S	*	.	H	α-helix	trans	-69	-42.1	172.9	-176.2	167.5	-177.9	167.4	0	112.5	D395 F396 Q402	D395-K399 WeakPolarHBondContact O-CB 3.32Å; D395-K399 PolarHBondContact O-N 2.72Å; F396-K399 PolarHBondContact O-N 3.29Å; F396-K399 VanDerWaalsContact O-N 3.11Å; K399-Q402 WeakPolarHBondContact O-CB 3.2Å; K399-Q402 WeakPolarHBondContact O-CG 3.49Å; K399-Q402 PolarHBondContact O-N 2.62Å
400	I	97.2	Very high	95.5	Very high	11 Å²	11	75.4 Å²	75.4	6%	0.056	38%	0.378	C	S	.	.	H	α-helix	trans	-69.6	-34.4	-177.8	-63.4	-54.3	0	0	0	112.1	F396 K397 Q402 D403 S406 V407 Y535 R537	F396-I400 HydrophobicContact CD1-CG1 4.49Å; F396-I400 HydrophobicContact CD2-CD1 4.36Å; F396-I400 HydrophobicContact CD2-CG1 3.87Å; F396-I400 HydrophobicContact CE1-CG1 4.19Å; F396-I400 HydrophobicContact CE2-CD1 3.84Å; F396-I400 HydrophobicContact CE2-CG1 3.55Å; F396-I400 HydrophobicContact CG-CG1 4.35Å; F396-I400 HydrophobicContact CZ-CD1 4.29Å; F396-I400 HydrophobicContact CZ-CG1 3.73Å; F396-I400 WeakPolarHBondContact O-CG1 3.23Å; F396-I400 PolarHBondContact O-N 2.74Å; K397-I400 PolarHBondContact O-N 3.25Å; I400-Q402 PolarHBondContact O-N 2.77Å; I400-D403 PolarHBondContact O-N 2.75Å; I400-D403 VanDerWaalsContact O-O 3.06Å; I400-S406 VanDerWaalsContact CG2-O 3.27Å; I400-S406 WeakPolarHBondContact CG2-O 3.39Å; I400-V407 HydrophobicContact CG2-CG2 3.9Å; I400-Y535 HydrophobicContact CB-CD1 4.42Å; I400-Y535 HydrophobicContact CG2-CD1 4.24Å; I400-R537 HydrophobicContact CD1-CB 3.93Å; I400-R537 HydrophobicContact CD1-CG 4.49Å
401	R	95.1	Very high	94.8	Very high	125 Å²	125	72.7 Å²	72.7	47%	0.472	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-8.9	174	-75.9	-178.5	-157.1	108.8	0.3	115.6	K397 D436 Y535	K397-R401 VanDerWaalsContact O-CG 3.31Å; K397-R401 WeakPolarHBondContact O-CG 3.29Å; K397-R401 PolarHBondContact O-N 3.06Å; R401-D436 IonicContact NH2-OD1 3.71Å; R401-Y535 HydrophobicContact CG-CD1 4.16Å; R401-Y535 HydrophobicContact CG-CE1 3.53Å; R401-Y535 PolarHBondContact NE-OH 3.5Å; R401-Y535 VanDerWaalsContact NE-OH 3.11Å; R401-Y535 PolarHBondContact NH2-OH 3.17Å
402	Q	94.6	Very high	94.1	Very high	152 Å²	152	74 Å²	74	71%	0.71	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-13.8	175.1	-58.3	173.1	20.9	0	0	112	E398 K399 I400	E398-Q402 PolarHBondContact O-NE2 2.83Å; K399-Q402 WeakPolarHBondContact O-CB 3.2Å; K399-Q402 WeakPolarHBondContact O-CG 3.49Å; K399-Q402 PolarHBondContact O-N 2.62Å; I400-Q402 PolarHBondContact O-N 2.77Å
403	D	91.6	Very high	93.3	Very high	67 Å²	67	70.6 Å²	70.6	36%	0.358	35%	0.354	S	S	.	.			trans	-125.4	106.3	176.3	174.1	25	0	0	0	109.7	I400 D405 S406	I400-D403 PolarHBondContact O-N 2.75Å; I400-D403 VanDerWaalsContact O-O 3.06Å; D403-D405 VanDerWaalsContact C-N 3.28Å; D403-D405 PolarHBondContact O-N 3.01Å; D403-D405 PolarHBondContact OD1-N 3.22Å; D403-S406 PolarHBondContact O-N 3.16Å; D403-S406 WeakPolarHBondContact OD2-CB 3.46Å; D403-S406 PolarHBondContact OD2-OG 3.05Å
404	P	88.1	Confident	92.6	Very high	102 Å²	102	71.6 Å²	71.6	66%	0.662	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-59.4	-34.6	-179	-25.7	35.7	0	0	0	114.1	S406 V407	P404-S406 PolarHBondContact O-N 3.06Å; P404-V407 PolarHBondContact O-N 3.04Å
405	D	89.3	Confident	92.3	Very high	130 Å²	130	64.6 Å²	64.6	70%	0.695	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-71.2	-19.9	-176.1	-64	-20.4	0	0	0	111.6	D403 V407 Y536	D403-D405 VanDerWaalsContact C-N 3.28Å; D403-D405 PolarHBondContact O-N 3.01Å; D403-D405 PolarHBondContact OD1-N 3.22Å; D405-V407 VanDerWaalsContact C-N 3.3Å; D405-Y536 WeakPolarHBondContact O-CE1 3.49Å; D405-Y536 PolarHBondContact O-OH 3.4Å
406	S	94.5	Very high	92.1	Very high	19 Å²	19	59.6 Å²	59.6	13%	0.133	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-84.5	7.1	171.6	-68.4	0	0	0	0	114.1	I400 D403 P404 Y536	I400-S406 VanDerWaalsContact CG2-O 3.27Å; I400-S406 WeakPolarHBondContact CG2-O 3.39Å; D403-S406 PolarHBondContact O-N 3.16Å; D403-S406 WeakPolarHBondContact OD2-CB 3.46Å; D403-S406 PolarHBondContact OD2-OG 3.05Å; P404-S406 PolarHBondContact O-N 3.06Å; S406-Y536 WeakPolarHBondContact CB-O 3.39Å; S406-Y536 VanDerWaalsContact O-CD1 3.29Å; S406-Y536 WeakPolarHBondContact O-CD1 3.2Å; S406-Y536 PolarHBondContact O-N 3.36Å
407	V	96.6	Very high	92	Very high	44 Å²	44	59.6 Å²	59.6	27%	0.267	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	98.8	177	-172.4	0	0	0	0	111.5	I400 P404 D405 V534 Y535	I400-V407 HydrophobicContact CG2-CG2 3.9Å; P404-V407 PolarHBondContact O-N 3.04Å; D405-V407 VanDerWaalsContact C-N 3.3Å; V407-V534 WeakPolarHBondContact CA-O 3.4Å; V407-Y535 HydrophobicContact CG1-CD1 4.07Å; V407-Y535 HydrophobicContact CG1-CE1 3.95Å; V407-Y535 HydrophobicContact CG2-CD1 3.67Å; V407-Y535 HydrophobicContact CG2-CE1 4.04Å
408	I	95.4	Very high	91.9	Very high	20 Å²	20	58.9 Å²	58.9	10%	0.103	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	151.6	178.6	60.4	-179.2	0	0	0	111.6	V410 V416 V418 V458 F522 V534 Y536	I408-V410 HydrophobicContact CD1-CG2 4.31Å; I408-V410 HydrophobicContact CG1-CG2 4.44Å; I408-V416 HydrophobicContact CD1-CB 4.45Å; I408-V416 HydrophobicContact CD1-CG1 3.83Å; I408-V418 HydrophobicContact CD1-CG2 4.18Å; I408-V458 HydrophobicContact CG2-CG1 4.21Å; I408-V458 HydrophobicContact CG2-CG2 4.46Å; I408-F522 HydrophobicContact CD1-CD2 3.71Å; I408-F522 HydrophobicContact CD1-CE2 4.07Å; I408-F522 HydrophobicContact CD1-CG 4.35Å; I408-V534 HydrophobicContact CD1-CB 4.29Å; I408-V534 HydrophobicContact CG1-CB 3.76Å; I408-V534 HydrophobicContact CG1-CG1 4.37Å; I408-V534 HydrophobicContact CG1-CG2 4.48Å; I408-V534 PolarHBondContact N-O 3.16Å; I408-V534 PolarHBondContact O-N 2.79Å; I408-Y536 HydrophobicContact CD1-CD1 4.43Å; I408-Y536 HydrophobicContact CG1-CD1 4.38Å; I408-Y536 HydrophobicContact CG2-CE1 3.94Å
409	T	95.9	Very high	91.8	Very high	90 Å²	90	55.7 Å²	55.7	55%	0.552	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.9	117.9	167.4	-62.2	0	0	0	0	108.6	K532	T409-K532 WeakPolarHBondContact CA-O 3.14Å
410	V	93.6	Very high	91.7	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	110	173	-170.4	0	0	0	0	107.1	I408 E414 V416 I440 F522 N524 S531 K532 V534	I408-V410 HydrophobicContact CD1-CG2 4.31Å; I408-V410 HydrophobicContact CG1-CG2 4.44Å; V410-E414 HydrophobicContact CG1-CB 4.21Å; V410-V416 HydrophobicContact CB-CG2 4.22Å; V410-V416 HydrophobicContact CG1-CB 4.39Å; V410-V416 HydrophobicContact CG1-CG2 3.95Å; V410-V416 HydrophobicContact CG2-CB 3.95Å; V410-V416 HydrophobicContact CG2-CG2 3.9Å; V410-I440 HydrophobicContact CB-CD1 4.16Å; V410-I440 HydrophobicContact CG1-CD1 4.41Å; V410-I440 HydrophobicContact CG2-CD1 3.97Å; V410-F522 HydrophobicContact CG2-CB 4.06Å; V410-N524 HydrophobicContact CB-CB 4.32Å; V410-N524 HydrophobicContact CG1-CB 3.48Å; V410-N524 VanDerWaalsContact CG1-CB 3.48Å; V410-N524 PolarHBondContact O-ND2 3.36Å; V410-S531 CarbonylContact O-C 3.58Å; V410-S531 WeakPolarHBondContact O-CA 3.47Å; V410-K532 PolarHBondContact N-O 3.46Å; V410-K532 PolarHBondContact O-N 3.23Å; V410-V534 HydrophobicContact CG2-CG2 3.82Å
411	G	82.1	Confident	91.6	Very high	4 Å²	4	50.3 Å²	50.3	4%	0.041	26%	0.262	C	S	.	.			trans	-74.9	177.8	-178.3	0	0	0	0	0	113.7	G413 E414 N524	G411-G413 PolarHBondContact O-N 2.95Å; G411-E414 WeakPolarHBondContact CA-OE1 3.27Å; G411-E414 VanDerWaalsContact CA-OE2 3.31Å; G411-E414 WeakPolarHBondContact CA-OE2 3.3Å; G411-E414 VanDerWaalsContact N-CD 3.27Å; G411-E414 PolarHBondContact N-OE2 2.99Å; G411-E414 PolarHBondContact O-N 3.3Å; G411-N524 PolarHBondContact O-ND2 2.92Å
412	R	82.4	Confident	91.5	Very high	114 Å²	114	45.4 Å²	45.4	43%	0.43	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	130.6	-174.6	70.9	-176.2	174.8	-116.7	-25.7	109.4	E414 S527 L528	R412-E414 PolarHBondContact O-N 2.93Å; R412-S527 WeakPolarHBondContact CA-O 3.34Å; R412-S527 VanDerWaalsContact CB-O 3.29Å; R412-S527 WeakPolarHBondContact CB-O 3.26Å; R412-L528 VanDerWaalsContact CD-O 3.31Å; R412-L528 WeakPolarHBondContact CD-O 3.42Å
413	G	78.9	Confident	91.4	Very high	25 Å²	25	40.6 Å²	40.6	26%	0.258	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.6	6.6	179.5	0	0	0	0	0	115	G411 S463 N524 S527	G411-G413 PolarHBondContact O-N 2.95Å; G413-S463 WeakPolarHBondContact O-CB 3.42Å; G413-S463 PolarHBondContact O-N 3.12Å; G413-N524 PolarHBondContact N-O 3.16Å; G413-N524 VanDerWaalsContact N-O 3.13Å; G413-S527 PolarHBondContact N-O 3.48Å
414	E	84.3	Confident	91.3	Very high	40 Å²	40	45 Å²	45	19%	0.187	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	158	177	-70.5	159.6	-134.7	0	0	111.5	V410 G411 R412 S461 E462 N524 S525	V410-E414 HydrophobicContact CG1-CB 4.21Å; G411-E414 WeakPolarHBondContact CA-OE1 3.27Å; G411-E414 VanDerWaalsContact CA-OE2 3.31Å; G411-E414 WeakPolarHBondContact CA-OE2 3.3Å; G411-E414 VanDerWaalsContact N-CD 3.27Å; G411-E414 PolarHBondContact N-OE2 2.99Å; G411-E414 PolarHBondContact O-N 3.3Å; R412-E414 PolarHBondContact O-N 2.93Å; E414-S461 WeakPolarHBondContact CA-O 3.32Å; E414-E462 HydrophobicContact CG-CG 4.21Å; E414-N524 CarbonylContact O-C 3.58Å; E414-N524 VanDerWaalsContact O-CA 3.3Å; E414-N524 WeakPolarHBondContact O-CA 3.33Å; E414-N524 WeakPolarHBondContact O-CB 3.45Å; E414-N524 PolarHBondContact O-N 3.48Å; E414-S525 PolarHBondContact O-N 3.48Å
415	V	89.7	Confident	91.5	Very high	20 Å²	20	44.9 Å²	44.9	12%	0.121	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	117.7	166.3	-177.4	0	0	0	0	107.6	S461 K521 F522 D523	V415-S461 PolarHBondContact N-O 2.87Å; V415-S461 PolarHBondContact O-N 3.48Å; V415-S461 VanDerWaalsContact O-O 3.14Å; V415-K521 HydrophobicContact CG1-CB 4.16Å; V415-K521 HydrophobicContact CG1-CD 4.2Å; V415-F522 WeakPolarHBondContact CA-O 3.49Å; V415-D523 HydrophobicContact CG1-CB 4.31Å; V415-D523 HydrophobicContact CG2-CB 4.29Å
416	V	93.6	Very high	91.7	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.006	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	123.8	177.6	174.5	0	0	0	0	109.4	I408 V410 V458 H459 V460 F522	I408-V416 HydrophobicContact CD1-CB 4.45Å; I408-V416 HydrophobicContact CD1-CG1 3.83Å; V410-V416 HydrophobicContact CB-CG2 4.22Å; V410-V416 HydrophobicContact CG1-CB 4.39Å; V410-V416 HydrophobicContact CG1-CG2 3.95Å; V410-V416 HydrophobicContact CG2-CB 3.95Å; V410-V416 HydrophobicContact CG2-CG2 3.9Å; V416-V458 HydrophobicContact CG1-CG1 3.49Å; V416-V458 VanDerWaalsContact CG1-CG1 3.49Å; V416-H459 CarbonylContact C-O 3.54Å; V416-H459 WeakPolarHBondContact CA-O 3.23Å; V416-V460 HydrophobicContact CG2-CB 4.32Å; V416-V460 HydrophobicContact CG2-CG1 4.03Å; V416-V460 HydrophobicContact CG2-CG2 4.05Å; V416-F522 PolarHBondContact N-O 3.22Å; V416-F522 PolarHBondContact O-N 3.28Å
417	T	96.5	Very high	91.7	Very high	13 Å²	13	40 Å²	40	8%	0.08	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	114.1	179.2	-56.5	0	0	0	0	109.9	R419 H459 L519 L520 K521	T417-R419 HydrophobicContact CG2-CG 4.32Å; T417-H459 PolarHBondContact N-O 3.28Å; T417-H459 PolarHBondContact O-N 2.9Å; T417-L519 HydrophobicContact CG2-CB 3.82Å; T417-L519 HydrophobicContact CG2-CD2 4.22Å; T417-L520 WeakPolarHBondContact CA-O 3.3Å; T417-K521 HydrophobicContact CG2-CG 4.21Å
418	V	95.5	Very high	91.7	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	114.6	169.5	-174.8	0	0	0	0	108.5	I408 V420 V456 V458 L520 F522 Y536	I408-V418 HydrophobicContact CD1-CG2 4.18Å; V418-V420 HydrophobicContact CG1-CG2 3.98Å; V418-V456 HydrophobicContact CG1-CG1 3.72Å; V418-V458 HydrophobicContact CG1-CG2 4.46Å; V418-V458 HydrophobicContact CG2-CG1 4.48Å; V418-V458 HydrophobicContact CG2-CG2 4.27Å; V418-L520 HydrophobicContact CB-CB 4.25Å; V418-L520 PolarHBondContact N-O 3.46Å; V418-L520 PolarHBondContact O-N 3.03Å; V418-F522 HydrophobicContact CG2-CD2 4.11Å; V418-F522 HydrophobicContact CG2-CE2 3.88Å; V418-Y536 HydrophobicContact CG1-CE2 3.89Å; V418-Y536 HydrophobicContact CG2-CE2 4.29Å
419	R	95.6	Very high	91.9	Very high	62 Å²	62	41 Å²	41	23%	0.234	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	117.3	179.4	-64.5	-178.9	66.1	84	3.3	109.6	T417 E447 V456 S457 H459 V517 Y518 L519	T417-R419 HydrophobicContact CG2-CG 4.32Å; R419-E447 IonicContact CZ-OE1 2.72Å; R419-E447 IonicContact CZ-OE2 3.76Å; R419-E447 IonicContact NH1-OE1 2.68Å; R419-E447 IonicContact NH1-OE2 2.7Å; R419-E447 PolarHBondContact NH1-OE2 2.91Å; R419-E447 VanDerWaalsContact NH2-CD 3.28Å; R419-E447 IonicContact NH2-OE1 3.78Å; R419-E447 PolarHBondContact NH2-OE1 3.22Å; R419-E447 IonicContact NH2-OE2 3.14Å; R419-E447 PolarHBondContact NH2-OE2 3.3Å; R419-E447 VanDerWaalsContact NH2-OE2 3.15Å; R419-V456 WeakPolarHBondContact O-CA 3.41Å; R419-S457 PolarHBondContact N-O 3.06Å; R419-S457 PolarHBondContact O-N 3.24Å; R419-H459 VanDerWaalsContact CD-CE1 3.48Å; R419-H459 WeakPolarHBondContact CD-CE1 3.16Å; R419-H459 WeakPolarHBondContact CD-ND1 3.32Å; R419-V517 HydrophobicContact CB-CG1 3.8Å; R419-V517 HydrophobicContact CG-CG1 4.45Å; R419-Y518 CarbonylContact C-O 3.39Å; R419-Y518 WeakPolarHBondContact CA-O 3.31Å; R419-L519 HydrophobicContact CG-CD2 3.85Å
420	V	95.3	Very high	92	Very high	10 Å²	10	38.8 Å²	38.8	6%	0.061	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	98.4	-175.6	-174.7	0	0	0	0	110.2	V418 L429 V456 Y518 L520 V538	V418-V420 HydrophobicContact CG1-CG2 3.98Å; V420-L429 HydrophobicContact CG1-CD1 3.81Å; V420-V456 HydrophobicContact CG1-CG2 4.21Å; V420-V456 HydrophobicContact CG2-CG1 4.24Å; V420-V456 HydrophobicContact CG2-CG2 4.36Å; V420-Y518 PolarHBondContact N-O 3.02Å; V420-Y518 PolarHBondContact O-N 3.33Å; V420-L520 HydrophobicContact CG2-CD1 4.39Å; V420-V538 HydrophobicContact CG1-CG2 4.39Å; V420-V538 HydrophobicContact CG2-CB 4.45Å; V420-V538 HydrophobicContact CG2-CG1 4.27Å; V420-V538 HydrophobicContact CG2-CG2 4.04Å
421	P	95	Very high	92.2	Very high	19 Å²	19	39 Å²	39	12%	0.123	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	147.3	177.5	-23.4	34.5	0	0	0	113.4	H423 S453 V517	P421-H423 PolarHBondContact O-N 3.05Å; P421-S453 WeakPolarHBondContact CB-O 3.39Å; P421-S453 VanDerWaalsContact CG-O 3.31Å; P421-S453 WeakPolarHBondContact CG-O 3.47Å; P421-V517 HydrophobicContact CB-CG2 4.31Å; P421-V517 HydrophobicContact CG-CG2 4.27Å
422	T	94.1	Very high	93	Very high	21 Å²	21	39.1 Å²	39.1	13%	0.129	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-67.1	126.7	171.4	52.5	0	0	0	0	111	F446 Y512 G516 Y518	T422-F446 HydrophobicContact CG2-CE2 3.7Å; T422-F446 HydrophobicContact CG2-CZ 4.06Å; T422-Y512 HydrophobicContact CG2-CD1 4.15Å; T422-Y512 HydrophobicContact CG2-CD2 3.99Å; T422-Y512 HydrophobicContact CG2-CE1 4.2Å; T422-Y512 HydrophobicContact CG2-CE2 4.06Å; T422-Y512 HydrophobicContact CG2-CG 4.03Å; T422-G516 PolarHBondContact N-O 2.88Å; T422-G516 PolarHBondContact OG1-N 3.42Å; T422-G516 VanDerWaalsContact OG1-N 3.1Å; T422-G516 PolarHBondContact OG1-O 3.08Å; T422-Y518 HydrophobicContact CG2-CD2 4.45Å; T422-Y518 HydrophobicContact CG2-CE2 4.04Å
423	H	92.2	Very high	93.8	Very high	52 Å²	52	33.8 Å²	33.8	24%	0.241	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-81.1	140.1	176.8	-170	-98.7	0	0	0	111.5	P421 E425 G426 Y512 Y540	P421-H423 PolarHBondContact O-N 3.05Å; H423-E425 IonicContact CE1-OE2 2.97Å; H423-E425 PolarHBondContact ND1-N 3.05Å; H423-E425 PolarHBondContact O-N 2.97Å; H423-G426 PolarHBondContact O-N 3.42Å; H423-Y512 PolarHBondContact N-OH 2.91Å; H423-Y540 HydrophobicContact CB-CD1 3.68Å; H423-Y540 HydrophobicContact CB-CD2 4.26Å; H423-Y540 HydrophobicContact CB-CE1 3.67Å; H423-Y540 HydrophobicContact CB-CE2 4.28Å; H423-Y540 HydrophobicContact CB-CG 4Å; H423-Y540 AromaticContact CD2-CE1 3.78Å; H423-Y540 AromaticContact CD2-CZ 3.89Å; H423-Y540 AromaticContact CE1-CZ 3.59Å; H423-Y540 PolarHBondContact CE1-OH 3.3Å; H423-Y540 AromaticContact CG-CE1 3.49Å; H423-Y540 VanDerWaalsContact CG-CE1 3.49Å; H423-Y540 AromaticContact CG-CE2 3.98Å; H423-Y540 AromaticContact CG-CZ 3.47Å; H423-Y540 VanDerWaalsContact CG-CZ 3.47Å; H423-Y540 AromaticContact ND1-CE1 3.82Å; H423-Y540 AromaticContact ND1-CE2 3.52Å; H423-Y540 AromaticContact ND1-CZ 3.27Å; H423-Y540 VanDerWaalsContact ND1-CZ 3.27Å; H423-Y540 PolarHBondContact ND1-OH 2.96Å; H423-Y540 AromaticContact NE2-CZ 3.95Å; H423-Y540 PolarHBondContact NE2-OH 3.41Å
424	E	90	Very high	94.7	Very high	158 Å²	158	32.6 Å²	32.6	74%	0.738	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-27.5	-175.5	-62.5	-162.2	129.9	0	0	114.4	R515	E424-R515 IonicContact OE1-CZ 2.77Å; E424-R515 IonicContact OE1-NH1 3.15Å; E424-R515 IonicContact OE1-NH2 3.36Å; E424-R515 PolarHBondContact OE1-NH2 3.49Å
425	E	91.4	Very high	95.4	Very high	101 Å²	101	30.7 Å²	30.7	47%	0.472	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	1.8	173.3	-54.4	-171.3	120.9	0	0	113.8	H423 R542	H423-E425 IonicContact CE1-OE2 2.97Å; H423-E425 PolarHBondContact ND1-N 3.05Å; H423-E425 PolarHBondContact O-N 2.97Å; E425-R542 WeakPolarHBondContact O-CG 3.38Å; E425-R542 IonicContact OE1-CZ 3.37Å; E425-R542 IonicContact OE1-NH1 3.71Å; E425-R542 IonicContact OE1-NH2 3.76Å; E425-R542 PolarHBondContact OE1-NH2 3.29Å; E425-R542 IonicContact OE2-CZ 3.58Å; E425-R542 IonicContact OE2-NE 3.57Å; E425-R542 IonicContact OE2-NH2 2.91Å; E425-R542 PolarHBondContact OE2-NH2 2.84Å
426	G	93.1	Very high	95.6	Very high	16 Å²	16	31.5 Å²	31.5	17%	0.165	15%	0.154	C	C	.	.			trans	-95.1	155.1	-175	0	0	0	0	0	113.7	H423 Y512 T541	H423-G426 PolarHBondContact O-N 3.42Å; G426-Y512 VanDerWaalsContact O-CD2 3.22Å; G426-Y512 WeakPolarHBondContact O-CD2 3.41Å; G426-Y512 WeakPolarHBondContact O-CE2 3.45Å; G426-T541 CarbonylContact C-O 3.56Å; G426-T541 WeakPolarHBondContact CA-O 3.42Å
427	S	94.9	Very high	95.4	Very high	29 Å²	29	40 Å²	40	20%	0.203	19%	0.187	C	C	.	.	S	Bend	trans	-129.7	-19.5	176.5	61.2	0	0	0	0	113.9	Y512 T541 R542	S427-Y512 PolarHBondContact O-N 3.31Å; S427-T541 PolarHBondContact N-O 3Å; S427-T541 PolarHBondContact OG-O 2.98Å; S427-R542 WeakPolarHBondContact CB-OXT 2.92Å; S427-R542 PolarHBondContact OG-OXT 3.1Å
428	Y	97.3	Very high	95.2	Very high	84 Å²	84	43.9 Å²	43.9	33%	0.329	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	146.9	175	-69	-97.1	0	0	0	111.1	F430 H510 Q511 Y540 T541	Y428-F430 HydrophobicContact CG-CE2 4.45Å; Y428-H510 CarbonylContact C-O 3.48Å; Y428-H510 VanDerWaalsContact CA-O 3.3Å; Y428-H510 WeakPolarHBondContact CA-O 3.13Å; Y428-Q511 VanDerWaalsContact CD1-CA 3.42Å; Y428-Q511 HydrophobicContact CD1-CB 3.85Å; Y428-Q511 HydrophobicContact CD1-CG 4.29Å; Y428-Q511 HydrophobicContact CE1-CB 3.45Å; Y428-Q511 VanDerWaalsContact CE1-CB 3.45Å; Y428-Q511 HydrophobicContact CE1-CG 3.76Å; Y428-Q511 HydrophobicContact CE2-CG 4.27Å; Y428-Q511 PolarHBondContact OH-OE1 3.29Å; Y428-Y540 WeakPolarHBondContact O-CA 3.29Å; Y428-Y540 WeakPolarHBondContact O-CB 3.46Å; Y428-T541 PolarHBondContact O-N 2.99Å
429	L	98	Very high	95.2	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.01	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	140.5	158.9	-177.7	65.3	0	0	0	109.2	V420 W431 S509 H510 Y512 Y518 L520 V538	V420-L429 HydrophobicContact CG1-CD1 3.81Å; L429-W431 HydrophobicContact CD2-CE3 4.01Å; L429-W431 HydrophobicContact CD2-CZ3 4.4Å; L429-W431 HydrophobicContact CG-CE3 4.06Å; L429-S509 CarbonylContact O-C 3.42Å; L429-S509 WeakPolarHBondContact O-CA 3.47Å; L429-S509 VanDerWaalsContact O-CB 3.23Å; L429-S509 WeakPolarHBondContact O-CB 3.33Å; L429-H510 PolarHBondContact N-O 3.41Å; L429-H510 PolarHBondContact O-N 3.11Å; L429-Y512 HydrophobicContact CB-CE1 4.06Å; L429-Y518 HydrophobicContact CB-CD2 4.14Å; L429-Y518 HydrophobicContact CB-CE2 3.9Å; L429-Y518 HydrophobicContact CD2-CD1 4Å; L429-Y518 HydrophobicContact CD2-CD2 3.65Å; L429-Y518 HydrophobicContact CD2-CE2 4.24Å; L429-Y518 HydrophobicContact CD2-CG 3.5Å; L429-Y518 HydrophobicContact CG-CD2 4.43Å; L429-L520 HydrophobicContact CD2-CD1 4.04Å; L429-V538 HydrophobicContact CD1-CB 4.32Å
430	F	98.4	Very high	95.3	Very high	44 Å²	44	41.9 Å²	41.9	19%	0.193	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	141.7	164.8	-74.8	-104.9	0	0	0	109.9	W388 Y428 G508 V538 Y539 T541	W388-F430 HydrophobicContact CH2-CD1 4.07Å; W388-F430 HydrophobicContact CH2-CE1 4.04Å; W388-F430 HydrophobicContact CZ2-CD1 4.47Å; Y428-F430 HydrophobicContact CG-CE2 4.45Å; F430-G508 WeakPolarHBondContact CA-O 3.31Å; F430-V538 WeakPolarHBondContact O-CA 3.49Å; F430-Y539 HydrophobicContact CB-CD1 4.08Å; F430-Y539 HydrophobicContact CB-CD2 4.02Å; F430-Y539 HydrophobicContact CB-CE1 3.63Å; F430-Y539 HydrophobicContact CB-CE2 3.59Å; F430-Y539 HydrophobicContact CB-CG 4.25Å; F430-Y539 HydrophobicContact CD1-CE2 4.35Å; F430-Y539 HydrophobicContact CD2-CE2 4.24Å; F430-Y539 HydrophobicContact CG-CD2 4.49Å; F430-Y539 AromaticContact CG-CE2 3.82Å; F430-Y539 HydrophobicContact CG-CE2 3.82Å; F430-Y539 AromaticContact CG-CZ 3.88Å; F430-Y539 PolarHBondContact N-O 3.11Å; F430-Y539 PolarHBondContact O-N 3.28Å; F430-Y539 VanDerWaalsContact O-N 3.1Å; F430-T541 HydrophobicContact CD2-CG2 3.88Å; F430-T541 HydrophobicContact CE2-CG2 3.64Å; F430-T541 HydrophobicContact CZ-CG2 4.48Å
431	W	98.6	Very high	95.4	Very high	3 Å²	3	41.5 Å²	41.5	1%	0.011	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	149.8	175.2	60.1	86.5	0	0	0	111.9	P385 M387 L429 F442 V444 V494 A507 G508 S509 H510 L520 R537 V538	P385-W431 HydrophobicContact CB-CH2 4.28Å; M387-W431 HydrophobicContact SD-CZ2 3.63Å; M387-W431 PolarHBondContact SD-NE1 2.79Å; M387-W431 VanDerWaalsContact SD-NE1 3.42Å; L429-W431 HydrophobicContact CD2-CE3 4.01Å; L429-W431 HydrophobicContact CD2-CZ3 4.4Å; L429-W431 HydrophobicContact CG-CE3 4.06Å; W431-F442 AromaticContact CD1-CE1 3.89Å; W431-F442 AromaticContact CD1-CZ 3.58Å; W431-F442 HydrophobicContact CG-CZ 4.16Å; W431-F442 AromaticContact NE1-CE1 3.52Å; W431-F442 AromaticContact NE1-CZ 3.67Å; W431-V444 HydrophobicContact CH2-CG2 4.43Å; W431-V444 HydrophobicContact CZ2-CG2 4.17Å; W431-V494 HydrophobicContact CH2-CG2 4.39Å; W431-V494 HydrophobicContact CZ2-CG2 4.04Å; W431-A507 CarbonylContact O-C 3.56Å; W431-A507 VanDerWaalsContact O-CA 3.23Å; W431-A507 WeakPolarHBondContact O-CA 3.07Å; W431-G508 PolarHBondContact N-O 2.92Å; W431-G508 PolarHBondContact O-N 2.61Å; W431-S509 VanDerWaalsContact CH2-C 3.47Å; W431-H510 HydrophobicContact CH2-CB 3.87Å; W431-H510 HydrophobicContact CZ3-CB 3.87Å; W431-L520 HydrophobicContact CB-CD2 3.97Å; W431-R537 CarbonylContact C-O 3.57Å; W431-R537 WeakPolarHBondContact CA-O 3.34Å; W431-V538 HydrophobicContact CB-CG1 4.1Å
432	E	98.6	Very high	95.5	Very high	8 Å²	8	40.6 Å²	40.6	4%	0.037	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	141.5	171.1	-68	155.5	97.8	0	0	109.3	R390 F396 V505 Y506 A507 Y536 R537 Y539	R390-E432 IonicContact CZ-OE1 2.61Å; R390-E432 IonicContact NH1-OE1 3.66Å; R390-E432 PolarHBondContact NH1-OE1 3.03Å; R390-E432 IonicContact NH2-OE1 3.18Å; R390-E432 PolarHBondContact NH2-OE1 2.8Å; F396-E432 HydrophobicContact CE2-CB 3.84Å; F396-E432 HydrophobicContact CZ-CB 3.91Å; E432-V505 HydrophobicContact CB-CG1 4.28Å; E432-Y506 CarbonylContact C-O 3.59Å; E432-Y506 VanDerWaalsContact CA-O 3.29Å; E432-Y506 WeakPolarHBondContact CA-O 3.37Å; E432-A507 HydrophobicContact CG-CB 3.83Å; E432-Y536 CarbonylContact O-C 3.44Å; E432-Y536 VanDerWaalsContact O-CA 3.25Å; E432-Y536 WeakPolarHBondContact O-CA 3.4Å; E432-R537 VanDerWaalsContact CD-NH2 3.27Å; E432-R537 PolarHBondContact N-O 3.24Å; E432-R537 PolarHBondContact O-N 3.02Å; E432-R537 IonicContact OE1-CZ 3.5Å; E432-R537 IonicContact OE1-NH2 2.63Å; E432-R537 PolarHBondContact OE1-NH2 3.18Å; E432-R537 IonicContact OE2-CZ 2.7Å; E432-R537 IonicContact OE2-NE 2.68Å; E432-R537 PolarHBondContact OE2-NE 3.04Å; E432-R537 IonicContact OE2-NH2 3.76Å; E432-R537 PolarHBondContact OE2-NH2 3.28Å; E432-Y539 WeakPolarHBondContact OE2-CE1 3.28Å
433	F	98.7	Very high	95.7	Very high	1 Å²	1	39.6 Å²	39.6	0%	0.004	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	156	175.4	65.3	-82.7	0	0	0	113.9	F442 R499 C501 V505 Y506 F522 V534 Y535	F433-F442 HydrophobicContact CD1-CD2 4.07Å; F433-F442 HydrophobicContact CD1-CE1 4.42Å; F433-F442 AromaticContact CD1-CE2 3.95Å; F433-F442 HydrophobicContact CD1-CE2 3.95Å; F433-F442 HydrophobicContact CD1-CG 4.35Å; F433-F442 HydrophobicContact CD1-CZ 4.13Å; F433-F442 HydrophobicContact CE1-CB 4.27Å; F433-F442 AromaticContact CE1-CD1 3.47Å; F433-F442 HydrophobicContact CE1-CD1 3.47Å; F433-F442 VanDerWaalsContact CE1-CD1 3.47Å; F433-F442 AromaticContact CE1-CD2 3.69Å; F433-F442 HydrophobicContact CE1-CD2 3.69Å; F433-F442 AromaticContact CE1-CE1 3.59Å; F433-F442 HydrophobicContact CE1-CE1 3.59Å; F433-F442 AromaticContact CE1-CE2 3.79Å; F433-F442 HydrophobicContact CE1-CE2 3.79Å; F433-F442 AromaticContact CE1-CG 3.51Å; F433-F442 HydrophobicContact CE1-CG 3.51Å; F433-F442 AromaticContact CE1-CZ 3.74Å; F433-F442 HydrophobicContact CE1-CZ 3.74Å; F433-F442 HydrophobicContact CE2-CB 3.88Å; F433-F442 HydrophobicContact CE2-CD2 4.22Å; F433-F442 AromaticContact CE2-CG 3.97Å; F433-F442 HydrophobicContact CE2-CG 3.97Å; F433-F442 HydrophobicContact CZ-CB 3.52Å; F433-F442 AromaticContact CZ-CD1 3.5Å; F433-F442 HydrophobicContact CZ-CD1 3.5Å; F433-F442 AromaticContact CZ-CD2 3.77Å; F433-F442 HydrophobicContact CZ-CD2 3.77Å; F433-F442 HydrophobicContact CZ-CE1 4.13Å; F433-F442 HydrophobicContact CZ-CE2 4.35Å; F433-F442 AromaticContact CZ-CG 3.28Å; F433-F442 HydrophobicContact CZ-CG 3.28Å; F433-R499 HydrophobicContact CE2-CB 4.34Å; F433-R499 HydrophobicContact CE2-CG 4.44Å; F433-R499 HydrophobicContact CZ-CB 4.46Å; F433-R499 HydrophobicContact CZ-CG 4.17Å; F433-C501 HydrophobicContact CD2-CB 3.88Å; F433-C501 HydrophobicContact CE2-CB 3.73Å; F433-V505 WeakPolarHBondContact O-CG1 3.4Å; F433-Y506 HydrophobicContact CE2-CG 4.4Å; F433-Y506 VanDerWaalsContact CZ-CB 3.41Å; F433-Y506 HydrophobicContact CZ-CD1 4.42Å; F433-Y506 HydrophobicContact CZ-CG 4.07Å; F433-Y506 PolarHBondContact N-O 3.28Å; F433-Y506 PolarHBondContact O-N 3.11Å; F433-F522 HydrophobicContact CB-CE1 3.85Å; F433-F522 HydrophobicContact CB-CZ 4.11Å; F433-F522 HydrophobicContact CD1-CE1 4.38Å; F433-F522 AromaticContact CD2-CE1 3.95Å; F433-F522 HydrophobicContact CD2-CE1 3.95Å; F433-F522 AromaticContact CG-CE1 3.81Å; F433-F522 HydrophobicContact CG-CE1 3.81Å; F433-F522 HydrophobicContact CG-CZ 4.41Å; F433-V534 HydrophobicContact CB-CG1 4.44Å; F433-Y535 CarbonylContact C-O 3.51Å; F433-Y535 WeakPolarHBondContact CA-O 3.36Å
434	A	98.6	Very high	96	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	154.9	173.5	0	0	0	0	0	111.2	I393 F396 K397 C501 Y535	I393-A434 HydrophobicContact CD1-CB 3.96Å; I393-A434 HydrophobicContact CG1-CB 3.94Å; F396-A434 HydrophobicContact CD1-CB 3.81Å; F396-A434 HydrophobicContact CE1-CB 3.77Å; K397-A434 HydrophobicContact CG-CB 4.41Å; A434-C501 CarbonylContact C-O 3.44Å; A434-C501 WeakPolarHBondContact CA-O 3.11Å; A434-C501 WeakPolarHBondContact CB-O 3.43Å; A434-Y535 PolarHBondContact N-O 3.14Å; A434-Y535 PolarHBondContact O-N 3.44Å
435	T	98.4	Very high	96.3	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	161.9	175.6	46.9	0	0	0	0	111.5	K397 Y438 I440 C501 H502 K532 S533 V534	K397-T435 WeakPolarHBondContact CE-O 3.31Å; K397-T435 PolarHBondContact NZ-O 3.17Å; T435-Y438 VanDerWaalsContact CB-O 3.3Å; T435-Y438 WeakPolarHBondContact CB-O 3.03Å; T435-Y438 PolarHBondContact OG1-O 2.88Å; T435-I440 HydrophobicContact CG2-CB 4.08Å; T435-I440 HydrophobicContact CG2-CG2 3.93Å; T435-C501 PolarHBondContact N-O 2.87Å; T435-C501 PolarHBondContact OG1-SG 3.38Å; T435-H502 WeakPolarHBondContact O-CA 3.02Å; T435-H502 PolarHBondContact OG1-N 2.97Å; T435-K532 HydrophobicContact CG2-CB 4.28Å; T435-S533 WeakPolarHBondContact CA-O 3.34Å; T435-V534 HydrophobicContact CG2-CG2 3.86Å
436	D	93.5	Very high	96.5	Very high	38 Å²	38	26.6 Å²	26.6	20%	0.203	12%	0.12	C	C	.	.	S	Bend	trans	-76.5	-45.9	-173.9	-97.1	-26.5	0	0	0	117.1	K397 R401 S533 Y535	K397-D436 WeakPolarHBondContact CD-OD1 3.39Å; K397-D436 WeakPolarHBondContact CE-OD1 3.34Å; K397-D436 IonicContact NZ-OD1 3.82Å; K397-D436 PolarHBondContact NZ-OD1 3.22Å; R401-D436 IonicContact NH2-OD1 3.71Å; D436-S533 PolarHBondContact N-O 2.61Å; D436-Y535 HydrophobicContact CB-CE2 4.39Å; D436-Y535 VanDerWaalsContact CG-CE2 3.45Å; D436-Y535 WeakPolarHBondContact OD1-CE2 3.48Å; D436-Y535 VanDerWaalsContact OD2-CE2 3.26Å; D436-Y535 WeakPolarHBondContact OD2-CE2 3.3Å; D436-Y535 VanDerWaalsContact OD2-CZ 3.3Å; D436-Y535 PolarHBondContact OD2-OH 2.95Å
437	Y	89.5	Confident	96.6	Very high	179 Å²	179	26.8 Å²	26.8	70%	0.702	12%	0.117	S	C	*	.	S	Bend	trans	-136.2	-9.4	-167.5	-57.5	-65.3	0	0	0	115.5
438	Y	92.9	Very high	96.5	Very high	95 Å²	95	28.2 Å²	28.2	37%	0.373	12%	0.118	S	C	.	.	S	Bend	trans	-153.1	158.7	-167.5	-58.3	-62.6	0	0	0	110	T435 H502 R530 K532	T435-Y438 VanDerWaalsContact CB-O 3.3Å; T435-Y438 WeakPolarHBondContact CB-O 3.03Å; T435-Y438 PolarHBondContact OG1-O 2.88Å; Y438-H502 VanDerWaalsContact C-ND1 3.26Å; Y438-R530 HydrophobicContact CD2-CB 4.07Å; Y438-R530 HydrophobicContact CD2-CG 4.13Å; Y438-R530 HydrophobicContact CE2-CB 4.09Å; Y438-R530 HydrophobicContact CE2-CG 3.74Å; Y438-R530 PolarHBondContact OH-NE 3.32Å; Y438-K532 HydrophobicContact CD2-CD 4.28Å
439	D	95.3	Very high	96	Very high	19 Å²	19	26.1 Å²	26.1	10%	0.102	11%	0.113	C	C	.	.			trans	-59.6	167.9	172	69.1	-20.9	0	0	0	113.8	R498 R499 H502 Y526 K532	D439-R498 IonicContact OD1-NH2 3.75Å; D439-R498 IonicContact OD2-CZ 2.7Å; D439-R498 IonicContact OD2-NE 2.61Å; D439-R498 PolarHBondContact OD2-NE 2.68Å; D439-R498 IonicContact OD2-NH2 3.28Å; D439-R498 PolarHBondContact OD2-NH2 3.07Å; D439-R499 VanDerWaalsContact CA-O 3.32Å; D439-R499 WeakPolarHBondContact CA-O 3.34Å; D439-R499 WeakPolarHBondContact CB-O 3.38Å; D439-H502 PolarHBondContact N-ND1 3.26Å; D439-Y526 VanDerWaalsContact C-OH 3.24Å; D439-Y526 PolarHBondContact O-OH 2.88Å; D439-Y526 VanDerWaalsContact O-OH 3.13Å; D439-Y526 PolarHBondContact OD1-OH 2.89Å; D439-Y526 PolarHBondContact OD2-OH 3.36Å; D439-Y526 VanDerWaalsContact OD2-OH 3.13Å; D439-K532 WeakPolarHBondContact O-CE 3.24Å
440	I	97.4	Very high	95	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	153.2	165.3	-159	168.5	0	0	0	109.4	V410 T435 R498 R499 F522 D523 Y526 K532 V534	V410-I440 HydrophobicContact CB-CD1 4.16Å; V410-I440 HydrophobicContact CG1-CD1 4.41Å; V410-I440 HydrophobicContact CG2-CD1 3.97Å; T435-I440 HydrophobicContact CG2-CB 4.08Å; T435-I440 HydrophobicContact CG2-CG2 3.93Å; I440-R498 CarbonylContact O-C 3.58Å; I440-R498 WeakPolarHBondContact O-CA 3.48Å; I440-R499 PolarHBondContact N-O 3.36Å; I440-R499 PolarHBondContact O-N 2.92Å; I440-F522 HydrophobicContact CD1-CB 3.98Å; I440-F522 HydrophobicContact CG2-CD1 4.45Å; I440-D523 WeakPolarHBondContact CG1-O 3.47Å; I440-Y526 VanDerWaalsContact CA-OH 3.24Å; I440-Y526 WeakPolarHBondContact CA-OH 3.43Å; I440-Y526 PolarHBondContact N-OH 3.16Å; I440-K532 HydrophobicContact CD1-CB 3.98Å; I440-K532 HydrophobicContact CD1-CG 4.06Å; I440-K532 HydrophobicContact CG1-CG 4.28Å; I440-V534 HydrophobicContact CD1-CG2 3.54Å
441	G	97.1	Very high	93.3	Very high	2 Å²	2	32.3 Å²	32.3	2%	0.021	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	135	166.2	0	0	0	0	0	109.9	D523	G441-D523 WeakPolarHBondContact CA-O 3.44Å; G441-D523 PolarHBondContact N-O 3Å; G441-D523 PolarHBondContact O-N 3.18Å
442	F	98.4	Very high	91.3	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	127.1	174.4	179.6	-95.8	0	0	0	111.1	M387 W431 F433 V444 Y497 R499 L520 K521 F522	M387-F442 HydrophobicContact CE-CE1 4.49Å; W431-F442 AromaticContact CD1-CE1 3.89Å; W431-F442 AromaticContact CD1-CZ 3.58Å; W431-F442 HydrophobicContact CG-CZ 4.16Å; W431-F442 AromaticContact NE1-CE1 3.52Å; W431-F442 AromaticContact NE1-CZ 3.67Å; F433-F442 HydrophobicContact CD1-CD2 4.07Å; F433-F442 HydrophobicContact CD1-CE1 4.42Å; F433-F442 AromaticContact CD1-CE2 3.95Å; F433-F442 HydrophobicContact CD1-CE2 3.95Å; F433-F442 HydrophobicContact CD1-CG 4.35Å; F433-F442 HydrophobicContact CD1-CZ 4.13Å; F433-F442 HydrophobicContact CE1-CB 4.27Å; F433-F442 AromaticContact CE1-CD1 3.47Å; F433-F442 HydrophobicContact CE1-CD1 3.47Å; F433-F442 VanDerWaalsContact CE1-CD1 3.47Å; F433-F442 AromaticContact CE1-CD2 3.69Å; F433-F442 HydrophobicContact CE1-CD2 3.69Å; F433-F442 AromaticContact CE1-CE1 3.59Å; F433-F442 HydrophobicContact CE1-CE1 3.59Å; F433-F442 AromaticContact CE1-CE2 3.79Å; F433-F442 HydrophobicContact CE1-CE2 3.79Å; F433-F442 AromaticContact CE1-CG 3.51Å; F433-F442 HydrophobicContact CE1-CG 3.51Å; F433-F442 AromaticContact CE1-CZ 3.74Å; F433-F442 HydrophobicContact CE1-CZ 3.74Å; F433-F442 HydrophobicContact CE2-CB 3.88Å; F433-F442 HydrophobicContact CE2-CD2 4.22Å; F433-F442 AromaticContact CE2-CG 3.97Å; F433-F442 HydrophobicContact CE2-CG 3.97Å; F433-F442 HydrophobicContact CZ-CB 3.52Å; F433-F442 AromaticContact CZ-CD1 3.5Å; F433-F442 HydrophobicContact CZ-CD1 3.5Å; F433-F442 AromaticContact CZ-CD2 3.77Å; F433-F442 HydrophobicContact CZ-CD2 3.77Å; F433-F442 HydrophobicContact CZ-CE1 4.13Å; F433-F442 HydrophobicContact CZ-CE2 4.35Å; F433-F442 AromaticContact CZ-CG 3.28Å; F433-F442 HydrophobicContact CZ-CG 3.28Å; F442-V444 HydrophobicContact CE1-CG2 3.58Å; F442-V444 HydrophobicContact CE2-CG2 4.45Å; F442-V444 HydrophobicContact CZ-CG2 3.48Å; F442-V444 VanDerWaalsContact CZ-CG2 3.48Å; F442-Y497 PolarHBondContact N-O 2.9Å; F442-Y497 PolarHBondContact O-N 2.88Å; F442-R499 HydrophobicContact CB-CG 3.93Å; F442-L520 HydrophobicContact CE2-CB 4.26Å; F442-L520 HydrophobicContact CE2-CD2 4.31Å; F442-L520 HydrophobicContact CE2-CG 4.17Å; F442-L520 HydrophobicContact CZ-CD2 4.42Å; F442-L520 HydrophobicContact CZ-CG 4.22Å; F442-K521 WeakPolarHBondContact CA-O 3.33Å; F442-F522 AromaticContact CD2-CD1 3.83Å; F442-F522 HydrophobicContact CD2-CD1 3.83Å; F442-F522 AromaticContact CD2-CE1 3.52Å; F442-F522 HydrophobicContact CD2-CE1 3.52Å; F442-F522 HydrophobicContact CD2-CZ 4.13Å; F442-F522 HydrophobicContact CE2-CD1 4.45Å; F442-F522 AromaticContact CE2-CE1 3.81Å; F442-F522 HydrophobicContact CE2-CE1 3.81Å; F442-F522 AromaticContact CE2-CZ 3.95Å; F442-F522 HydrophobicContact CE2-CZ 3.95Å
443	G	97.4	Very high	89.6	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	168.5	168.8	0	0	0	0	0	111.6	V494 K521	G443-V494 CarbonylContact C-O 3.6Å; G443-V494 WeakPolarHBondContact CA-O 3.33Å; G443-K521 PolarHBondContact N-O 3.36Å; G443-K521 PolarHBondContact O-N 3.38Å
444	V	97.9	Very high	88.2	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	129.1	-177.8	-176.6	0	0	0	0	108.3	W431 F442 I493 V494 Y518 L519 L520	W431-V444 HydrophobicContact CH2-CG2 4.43Å; W431-V444 HydrophobicContact CZ2-CG2 4.17Å; F442-V444 HydrophobicContact CE1-CG2 3.58Å; F442-V444 HydrophobicContact CE2-CG2 4.45Å; F442-V444 HydrophobicContact CZ-CG2 3.48Å; F442-V444 VanDerWaalsContact CZ-CG2 3.48Å; V444-I493 HydrophobicContact CB-CB 4.31Å; V444-I493 HydrophobicContact CG1-CB 4.19Å; V444-I493 CarbonylContact O-C 3.6Å; V444-I493 WeakPolarHBondContact O-CA 3.49Å; V444-I493 WeakPolarHBondContact O-CB 3.31Å; V444-I493 PolarHBondContact O-N 3.4Å; V444-V494 HydrophobicContact CB-CB 3.94Å; V444-V494 HydrophobicContact CB-CG2 4.05Å; V444-V494 HydrophobicContact CG2-CB 4.07Å; V444-V494 HydrophobicContact CG2-CG2 4.07Å; V444-V494 PolarHBondContact N-O 3.22Å; V444-V494 PolarHBondContact O-N 2.66Å; V444-Y518 HydrophobicContact CG1-CD1 3.88Å; V444-L519 WeakPolarHBondContact CA-O 3.38Å; V444-L520 HydrophobicContact CG1-CD1 4.23Å; V444-L520 HydrophobicContact CG2-CG 4.31Å
445	F	97.2	Very high	87	Confident	38 Å²	38	47 Å²	47	17%	0.167	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	165.2	172.6	-54.6	-98.7	0	0	0	110	V490 D491 E492 V496 Y518 L519 K521	F445-V490 HydrophobicContact CB-CG1 3.65Å; F445-V490 HydrophobicContact CD1-CG1 4.24Å; F445-V490 HydrophobicContact CG-CG1 4.29Å; F445-D491 CarbonylContact C-O 3.34Å; F445-D491 WeakPolarHBondContact CA-O 3.47Å; F445-D491 VanDerWaalsContact CB-O 3.32Å; F445-D491 WeakPolarHBondContact CB-O 3.32Å; F445-E492 HydrophobicContact CD1-CB 3.91Å; F445-E492 HydrophobicContact CD1-CG 4.12Å; F445-E492 HydrophobicContact CE1-CB 3.85Å; F445-E492 HydrophobicContact CE1-CG 3.76Å; F445-E492 HydrophobicContact CZ-CG 4.43Å; F445-V496 HydrophobicContact CE2-CG2 3.79Å; F445-V496 HydrophobicContact CZ-CG2 3.9Å; F445-Y518 CarbonylContact O-C 3.59Å; F445-Y518 WeakPolarHBondContact O-CA 3.35Å; F445-L519 HydrophobicContact CB-CB 4.15Å; F445-L519 HydrophobicContact CB-CD1 4.38Å; F445-L519 PolarHBondContact N-O 2.92Å; F445-L519 PolarHBondContact O-N 3.28Å; F445-K521 HydrophobicContact CD2-CD 4.34Å; F445-K521 HydrophobicContact CD2-CG 4.12Å; F445-K521 HydrophobicContact CE2-CB 4.43Å; F445-K521 HydrophobicContact CE2-CD 4.08Å; F445-K521 HydrophobicContact CE2-CG 4.12Å
446	F	96.1	Very high	86.3	Confident	1 Å²	1	50.3 Å²	50.3	0%	0.004	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	119.7	175.4	-172.3	-96.5	0	0	0	110.4	T422 W448 V490 D491 I493 P513 Y518	T422-F446 HydrophobicContact CG2-CE2 3.7Å; T422-F446 HydrophobicContact CG2-CZ 4.06Å; F446-W448 HydrophobicContact CD1-CD2 4.04Å; F446-W448 AromaticContact CD1-CE2 3.77Å; F446-W448 HydrophobicContact CD1-CG 4.36Å; F446-W448 HydrophobicContact CD1-CZ2 4.04Å; F446-W448 AromaticContact CD1-NE1 3.97Å; F446-W448 AromaticContact CE1-CD2 3.76Å; F446-W448 HydrophobicContact CE1-CD2 3.76Å; F446-W448 AromaticContact CE1-CE2 3.83Å; F446-W448 AromaticContact CE1-CE3 3.86Å; F446-W448 HydrophobicContact CE1-CE3 3.86Å; F446-W448 HydrophobicContact CE1-CG 4.35Å; F446-W448 HydrophobicContact CE1-CH2 4.05Å; F446-W448 AromaticContact CE1-CZ2 3.97Å; F446-W448 HydrophobicContact CE1-CZ2 3.97Å; F446-W448 HydrophobicContact CE1-CZ3 4.02Å; F446-V490 CarbonylContact O-C 3.56Å; F446-V490 VanDerWaalsContact O-CA 3.3Å; F446-V490 WeakPolarHBondContact O-CA 3.32Å; F446-D491 PolarHBondContact N-O 3.06Å; F446-D491 PolarHBondContact O-N 3.18Å; F446-I493 HydrophobicContact CB-CD1 3.89Å; F446-I493 HydrophobicContact CB-CG1 3.86Å; F446-P513 HydrophobicContact CD1-CG 3.68Å; F446-P513 HydrophobicContact CD2-CG 4.1Å; F446-P513 HydrophobicContact CE1-CG 3.64Å; F446-P513 HydrophobicContact CE2-CG 4.05Å; F446-P513 HydrophobicContact CG-CG 3.91Å; F446-P513 HydrophobicContact CZ-CG 3.81Å; F446-Y518 AromaticContact CD2-CD1 3.81Å; F446-Y518 HydrophobicContact CD2-CD1 3.81Å; F446-Y518 HydrophobicContact CD2-CD2 4.02Å; F446-Y518 AromaticContact CD2-CE1 3.62Å; F446-Y518 HydrophobicContact CD2-CE1 3.62Å; F446-Y518 AromaticContact CD2-CE2 3.85Å; F446-Y518 HydrophobicContact CD2-CE2 3.85Å; F446-Y518 HydrophobicContact CD2-CG 4.01Å; F446-Y518 AromaticContact CD2-CZ 3.66Å; F446-Y518 HydrophobicContact CE2-CD2 4.12Å; F446-Y518 HydrophobicContact CE2-CE1 4.33Å; F446-Y518 AromaticContact CE2-CE2 3.77Å; F446-Y518 HydrophobicContact CE2-CE2 3.77Å; F446-Y518 AromaticContact CE2-CZ 3.89Å
447	E	94.4	Very high	85.9	Confident	19 Å²	19	50.7 Å²	50.7	9%	0.089	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	116.9	-178.9	-174.1	-166.6	104.8	0	0	110.3	R419 T449 P488 V490 G516 V517 L519	R419-E447 IonicContact CZ-OE1 2.72Å; R419-E447 IonicContact CZ-OE2 3.76Å; R419-E447 IonicContact NH1-OE1 2.68Å; R419-E447 IonicContact NH1-OE2 2.7Å; R419-E447 PolarHBondContact NH1-OE2 2.91Å; R419-E447 VanDerWaalsContact NH2-CD 3.28Å; R419-E447 IonicContact NH2-OE1 3.78Å; R419-E447 PolarHBondContact NH2-OE1 3.22Å; R419-E447 IonicContact NH2-OE2 3.14Å; R419-E447 PolarHBondContact NH2-OE2 3.3Å; R419-E447 VanDerWaalsContact NH2-OE2 3.15Å; E447-T449 HydrophobicContact CG-CG2 4.14Å; E447-T449 PolarHBondContact O-N 3.46Å; E447-T449 PolarHBondContact O-OG1 3.22Å; E447-T449 WeakPolarHBondContact OE1-CG2 3.49Å; E447-P488 HydrophobicContact CG-CB 3.86Å; E447-P488 HydrophobicContact CG-CG 3.71Å; E447-V490 HydrophobicContact CB-CG2 4.12Å; E447-V490 HydrophobicContact CG-CG2 3.99Å; E447-G516 CarbonylContact O-C 3.45Å; E447-G516 WeakPolarHBondContact O-CA 3.49Å; E447-V517 HydrophobicContact CB-CB 4.45Å; E447-V517 PolarHBondContact N-O 3.12Å; E447-V517 PolarHBondContact O-N 3.15Å; E447-L519 HydrophobicContact CB-CD1 4.17Å; E447-L519 HydrophobicContact CB-CD2 4.4Å; E447-L519 HydrophobicContact CB-CG 4.26Å
448	W	92.9	Very high	85.6	Confident	60 Å²	60	45.2 Å²	45.2	23%	0.227	28%	0.28	C	S	.	.			trans	-74.6	101.8	-177.8	-69.1	96.4	0	0	0	111.4	P380 F446 H489 D491 P513	P380-W448 HydrophobicContact CB-CH2 3.4Å; P380-W448 VanDerWaalsContact CB-CH2 3.4Å; P380-W448 HydrophobicContact CB-CZ2 3.78Å; P380-W448 HydrophobicContact CB-CZ3 4.33Å; P380-W448 HydrophobicContact CG-CH2 3.46Å; P380-W448 VanDerWaalsContact CG-CH2 3.46Å; P380-W448 HydrophobicContact CG-CZ2 3.41Å; P380-W448 VanDerWaalsContact CG-CZ2 3.41Å; P380-W448 HydrophobicContact CG-CZ3 4.3Å; F446-W448 HydrophobicContact CD1-CD2 4.04Å; F446-W448 AromaticContact CD1-CE2 3.77Å; F446-W448 HydrophobicContact CD1-CG 4.36Å; F446-W448 HydrophobicContact CD1-CZ2 4.04Å; F446-W448 AromaticContact CD1-NE1 3.97Å; F446-W448 AromaticContact CE1-CD2 3.76Å; F446-W448 HydrophobicContact CE1-CD2 3.76Å; F446-W448 AromaticContact CE1-CE2 3.83Å; F446-W448 AromaticContact CE1-CE3 3.86Å; F446-W448 HydrophobicContact CE1-CE3 3.86Å; F446-W448 HydrophobicContact CE1-CG 4.35Å; F446-W448 HydrophobicContact CE1-CH2 4.05Å; F446-W448 AromaticContact CE1-CZ2 3.97Å; F446-W448 HydrophobicContact CE1-CZ2 3.97Å; F446-W448 HydrophobicContact CE1-CZ3 4.02Å; W448-H489 HydrophobicContact CB-CB 4.39Å; W448-H489 AromaticContact CD1-CD2 3.44Å; W448-H489 VanDerWaalsContact CD1-CD2 3.44Å; W448-H489 AromaticContact CD1-CG 3.82Å; W448-H489 PolarHBondContact N-O 2.7Å; W448-H489 AromaticContact NE1-CD2 3.83Å; W448-D491 PolarHBondContact NE1-OD2 3.16Å; W448-P513 HydrophobicContact CH2-CB 3.95Å; W448-P513 HydrophobicContact CH2-CG 4.11Å; W448-P513 HydrophobicContact CZ2-CB 4.08Å; W448-P513 HydrophobicContact CZ2-CG 4.1Å
449	T	86.9	Confident	84.8	Confident	39 Å²	39	45.2 Å²	45.2	24%	0.239	28%	0.283	C	S	.	.			trans	-147.9	144.1	-178.3	47.8	0	0	0	0	112.7	E447 A451 P488 G516	E447-T449 HydrophobicContact CG-CG2 4.14Å; E447-T449 PolarHBondContact O-N 3.46Å; E447-T449 PolarHBondContact O-OG1 3.22Å; E447-T449 WeakPolarHBondContact OE1-CG2 3.49Å; T449-A451 PolarHBondContact O-N 3.07Å; T449-P488 HydrophobicContact CG2-CB 3.79Å; T449-P488 HydrophobicContact CG2-CG 4.37Å; T449-G516 WeakPolarHBondContact O-CA 3.31Å
450	D	76.6	Confident	83.7	Confident	139 Å²	139	48.7 Å²	48.7	74%	0.743	31%	0.305	S	S	*	.			trans	-77	53.7	166	-80.4	-50.8	0	0	0	111.5	A452 R515	D450-A452 PolarHBondContact O-N 3.4Å; D450-A452 VanDerWaalsContact O-N 3.09Å; D450-R515 WeakPolarHBondContact OD1-CD 3.34Å
451	A	62.3	Low	82.2	Confident	38 Å²	38	50.1 Å²	50.1	31%	0.314	32%	0.315	S	S	.	.			trans	-60.8	111.9	-176.2	0	0	0	0	0	111.8	T449 S453 V517	T449-A451 PolarHBondContact O-N 3.07Å; A451-S453 VanDerWaalsContact C-N 3.28Å; A451-S453 PolarHBondContact O-N 3.43Å; A451-V517 HydrophobicContact CB-CG2 3.75Å
452	A	56.7	Low	80.1	Confident	113 Å²	113	56.2 Å²	56.2	93%	0.934	34%	0.343	S	S	*	.			trans	-79.3	0	-172.1	0	0	0	0	0	115.1	D450	D450-A452 PolarHBondContact O-N 3.4Å; D450-A452 VanDerWaalsContact O-N 3.09Å
453	S	62.4	Low	77.5	Confident	69 Å²	69	59 Å²	59	48%	0.483	36%	0.363	S	S	.	.			trans	-127.2	133.6	177.3	61.7	0	0	0	0	112	P421 A451 S455	P421-S453 WeakPolarHBondContact CB-O 3.39Å; P421-S453 VanDerWaalsContact CG-O 3.31Å; P421-S453 WeakPolarHBondContact CG-O 3.47Å; A451-S453 VanDerWaalsContact C-N 3.28Å; A451-S453 PolarHBondContact O-N 3.43Å; S453-S455 PolarHBondContact O-N 2.9Å; S453-S455 PolarHBondContact OG-OG 3.37Å; S453-S455 VanDerWaalsContact OG-OG 3.14Å
454	A	70.3	Confident	74.7	Confident	72 Å²	72	62.3 Å²	62.3	60%	0.595	39%	0.385	S	S	*	.			trans	-83.1	20.1	175.2	0	0	0	0	0	113.3
455	S	74.4	Confident	71.8	Confident	66 Å²	66	66.1 Å²	66.1	46%	0.462	41%	0.406	S	S	.	.			trans	-86.5	120.1	-175.7	53.1	0	0	0	0	111.4	S453	S453-S455 PolarHBondContact O-N 2.9Å; S453-S455 PolarHBondContact OG-OG 3.37Å; S453-S455 VanDerWaalsContact OG-OG 3.14Å
456	V	83.1	Confident	68.8	Low	70 Å²	70	70.9 Å²	70.9	42%	0.424	43%	0.429	S	S	.	.			trans	-62.5	140.5	167.4	178.8	0	0	0	0	109.4	V418 R419 V420 V538	V418-V456 HydrophobicContact CG1-CG1 3.72Å; R419-V456 WeakPolarHBondContact O-CA 3.41Å; V420-V456 HydrophobicContact CG1-CG2 4.21Å; V420-V456 HydrophobicContact CG2-CG1 4.24Å; V420-V456 HydrophobicContact CG2-CG2 4.36Å; V456-V538 HydrophobicContact CG2-CG2 4.46Å
457	S	83.9	Confident	66	Low	46 Å²	46	76.6 Å²	76.6	32%	0.322	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	149.7	174.5	52.4	0	0	0	0	111.4	R419	R419-S457 PolarHBondContact N-O 3.06Å; R419-S457 PolarHBondContact O-N 3.24Å
458	V	83.7	Confident	63.4	Low	63 Å²	63	84.1 Å²	84.1	38%	0.382	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	125.8	-179.1	-175.9	0	0	0	0	108.5	I408 V416 V418	I408-V458 HydrophobicContact CG2-CG1 4.21Å; I408-V458 HydrophobicContact CG2-CG2 4.46Å; V416-V458 HydrophobicContact CG1-CG1 3.49Å; V416-V458 VanDerWaalsContact CG1-CG1 3.49Å; V418-V458 HydrophobicContact CG1-CG2 4.46Å; V418-V458 HydrophobicContact CG2-CG1 4.48Å; V418-V458 HydrophobicContact CG2-CG2 4.27Å
459	H	77	Confident	60.8	Low	95 Å²	95	86.5 Å²	86.5	44%	0.44	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	130.6	175.8	-67.9	55	0	0	0	108.5	V416 T417 R419	V416-H459 CarbonylContact C-O 3.54Å; V416-H459 WeakPolarHBondContact CA-O 3.23Å; T417-H459 PolarHBondContact N-O 3.28Å; T417-H459 PolarHBondContact O-N 2.9Å; R419-H459 VanDerWaalsContact CD-CE1 3.48Å; R419-H459 WeakPolarHBondContact CD-CE1 3.16Å; R419-H459 WeakPolarHBondContact CD-ND1 3.32Å
460	V	72	Confident	58.5	Low	92 Å²	92	92 Å²	92	56%	0.558	54%	0.536	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.1	123.7	175.6	-175.4	0	0	0	0	107.2	V416	V416-V460 HydrophobicContact CG2-CB 4.32Å; V416-V460 HydrophobicContact CG2-CG1 4.03Å; V416-V460 HydrophobicContact CG2-CG2 4.05Å
461	S	66.3	Low	57	Low	30 Å²	30	95.1 Å²	95.1	21%	0.21	55%	0.546	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	127.3	169.9	-57.3	0	0	0	0	108.2	E414 V415	E414-S461 WeakPolarHBondContact CA-O 3.32Å; V415-S461 PolarHBondContact N-O 2.87Å; V415-S461 PolarHBondContact O-N 3.48Å; V415-S461 VanDerWaalsContact O-O 3.14Å
462	E	53.1	Low	55.9	Low	130 Å²	130	96.2 Å²	96.2	61%	0.607	56%	0.561	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-65.4	145.4	157.6	-60.7	-152.8	174.4	0	0	107.6	E414 S464 D465	E414-E462 HydrophobicContact CG-CG 4.21Å; E462-S464 PolarHBondContact O-N 3.11Å; E462-D465 WeakPolarHBondContact O-CB 3.49Å; E462-D465 PolarHBondContact O-N 2.97Å
463	S	43.8	Very low	55.3	Low	60 Å²	60	98.5 Å²	98.5	42%	0.42	56%	0.558	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75.1	40.3	-171	-176.4	0	0	0	0	113.9	G413 S525	G413-S463 WeakPolarHBondContact O-CB 3.42Å; G413-S463 PolarHBondContact O-N 3.12Å; S463-S525 WeakPolarHBondContact OG-CB 3.17Å
464	S	38.6	Very low	54.6	Low	68 Å²	68	100.5 Å²	100.5	48%	0.476	57%	0.569	S	S	.	*	T	Hydrogen-bonded Turn	trans	-154	18.2	-178.4	-163.2	0	0	0	0	111.8	E462	E462-S464 PolarHBondContact O-N 3.11Å
465	D	35.6	Very low	53.4	Low	81 Å²	81	100 Å²	100	43%	0.433	56%	0.56	S	S	.	*			trans	-137	39.6	-157.4	-149.6	27.1	0	0	0	112.8	E462	E462-D465 WeakPolarHBondContact O-CB 3.49Å; E462-D465 PolarHBondContact O-N 2.97Å
466	E	34.6	Very low	52.7	Low	137 Å²	137	100.8 Å²	100.8	64%	0.64	56%	0.562	S	S	*	*	S	Bend	trans	-110.7	55.3	160.5	-75.4	-169.8	-150.3	0	0	108.9	K521	E466-K521 IonicContact OE1-NZ 3.89Å; E466-K521 PolarHBondContact OE1-NZ 2.91Å
467	D	37.5	Very low	51.4	Low	122 Å²	122	106 Å²	106	65%	0.652	58%	0.581	S	S	*	*			trans	-178.3	70.9	153	-90.6	-23.5	0	0	0	111.1	E469	D467-E469 VanDerWaalsContact C-N 3.3Å; D467-E469 PolarHBondContact O-N 3.04Å
468	E	39.1	Very low	49.9	Very low	176 Å²	176	110.7 Å²	110.7	82%	0.822	60%	0.598	S	S	*	*			trans	-69.4	87.6	157.5	-78	-165	131.7	0	0	108.7
469	E	38.6	Very low	48.3	Very low	111 Å²	111	112.6 Å²	112.6	52%	0.519	60%	0.603	S	S	.	*			trans	-87.3	126.7	161.6	-82.3	-162.6	146	0	0	111.1	D467 K483	D467-E469 VanDerWaalsContact C-N 3.3Å; D467-E469 PolarHBondContact O-N 3.04Å; E469-K483 IonicContact OE1-NZ 3.94Å; E469-K483 PolarHBondContact OE1-NZ 2.87Å
470	D	38.5	Very low	47	Very low	154 Å²	154	115.1 Å²	115.1	82%	0.824	61%	0.613	S	S	*	*			trans	-48.5	147.6	175.1	-168.3	20.4	0	0	0	112.8	G472	D470-G472 VanDerWaalsContact C-N 3.28Å; D470-G472 PolarHBondContact O-N 2.85Å
471	E	45.5	Very low	46	Very low	205 Å²	205	113.9 Å²	113.9	96%	0.958	61%	0.613	S	S	*	*	S	Bend	trans	-71.5	82.2	176.8	-82.4	-160.4	157.7	0	0	110.8
472	G	39.5	Very low	45.1	Very low	61 Å²	61	118.9 Å²	118.9	63%	0.629	63%	0.63	S	S	*	*	S	Bend	trans	-134.6	170	176.6	0	0	0	0	0	113.1	D470	D470-G472 VanDerWaalsContact C-N 3.28Å; D470-G472 PolarHBondContact O-N 2.85Å
473	D	43.4	Very low	44.7	Very low	161 Å²	161	118.3 Å²	118.3	86%	0.861	63%	0.626	S	S	*	*	S	Bend	trans	-58.2	147.9	174.5	-93.5	-47.3	0	0	0	111.6
474	P	47.6	Very low	44.8	Very low	111 Å²	111	122.6 Å²	122.6	72%	0.721	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-59.6	125.5	-175.6	23.6	-34	0	0	0	111.4
475	P	46.4	Very low	45.2	Very low	61 Å²	61	123.6 Å²	123.6	40%	0.396	65%	0.652	S	S	.	*	P	Polyproline II helix	trans	-65.5	146.2	-174.2	25.3	-34.2	0	0	0	111.9	E479	P475-E479 HydrophobicContact CB-CB 4.21Å
476	T	58.6	Low	46.1	Very low	82 Å²	82	122.8 Å²	122.8	50%	0.503	66%	0.662	S	S	.	*	P	Polyproline II helix	trans	-70.7	158.6	-178.6	57.2	0	0	0	0	112	E478 E479 K480	T476-E478 PolarHBondContact O-N 2.93Å; T476-E478 VanDerWaalsContact O-N 3.14Å; T476-E479 PolarHBondContact N-OE2 2.92Å; T476-E479 VanDerWaalsContact N-OE2 3.09Å; T476-E479 WeakPolarHBondContact O-CA 3.32Å; T476-E479 WeakPolarHBondContact O-CB 3.35Å; T476-E479 PolarHBondContact O-N 2.72Å; T476-E479 PolarHBondContact OG1-OE2 3.46Å; T476-K480 PolarHBondContact O-N 2.88Å; T476-K480 VanDerWaalsContact O-N 3.11Å
477	E	56.3	Low	47.4	Very low	179 Å²	179	123.1 Å²	123.1	84%	0.836	66%	0.661	S	S	*	*	H	α-helix	trans	-56.9	-32.2	180	-64.4	-176.2	132.1	0	0	112.6	E479 A481	E477-E479 VanDerWaalsContact C-N 3.26Å; E477-E479 PolarHBondContact O-N 3.41Å; E477-A481 PolarHBondContact O-N 3.25Å
478	E	52.5	Low	49.3	Very low	145 Å²	145	120.1 Å²	120.1	68%	0.678	65%	0.649	S	S	*	*	H	α-helix	trans	-70	-15.6	174.3	-68.9	-158.1	155.1	0	0	114.6	T476 K482	T476-E478 PolarHBondContact O-N 2.93Å; T476-E478 VanDerWaalsContact O-N 3.14Å; E478-K482 VanDerWaalsContact O-CD 3.3Å; E478-K482 WeakPolarHBondContact O-CD 3.21Å; E478-K482 VanDerWaalsContact O-CE 3.31Å; E478-K482 WeakPolarHBondContact O-CE 3.3Å; E478-K482 WeakPolarHBondContact O-CG 3.28Å; E478-K482 PolarHBondContact O-NZ 3.39Å
479	E	51	Low	51.7	Low	103 Å²	103	117.2 Å²	117.2	48%	0.481	64%	0.635	S	S	.	*	H	α-helix	trans	-94.7	-39.6	175.9	-70	173	120.4	0	0	110.8	P475 T476 E477 A481 K482 K483	P475-E479 HydrophobicContact CB-CB 4.21Å; T476-E479 PolarHBondContact N-OE2 2.92Å; T476-E479 VanDerWaalsContact N-OE2 3.09Å; T476-E479 WeakPolarHBondContact O-CA 3.32Å; T476-E479 WeakPolarHBondContact O-CB 3.35Å; T476-E479 PolarHBondContact O-N 2.72Å; T476-E479 PolarHBondContact OG1-OE2 3.46Å; E477-E479 VanDerWaalsContact C-N 3.26Å; E477-E479 PolarHBondContact O-N 3.41Å; E479-A481 VanDerWaalsContact C-N 3.3Å; E479-A481 PolarHBondContact O-N 2.86Å; E479-K482 PolarHBondContact O-N 3.2Å; E479-K483 PolarHBondContact O-N 3.45Å
480	K	49.8	Very low	54.3	Low	148 Å²	148	114.8 Å²	114.8	64%	0.643	63%	0.628	S	S	*	*	H	α-helix	trans	-57.1	-45.1	173	-138.3	175.6	-172.1	-179.8	0	111.3	T476 K482 K483 E484	T476-K480 PolarHBondContact O-N 2.88Å; T476-K480 VanDerWaalsContact O-N 3.11Å; K480-K482 PolarHBondContact O-N 3.4Å; K480-K483 PolarHBondContact O-N 2.96Å; K480-K483 VanDerWaalsContact O-N 3.14Å; K480-E484 PolarHBondContact O-N 3.25Å
481	A	49.3	Very low	56.8	Low	67 Å²	67	109.2 Å²	109.2	55%	0.554	60%	0.598	S	S	*	*	H	α-helix	trans	-62.8	-24	174.7	0	0	0	0	0	114.4	E477 E479	E477-A481 PolarHBondContact O-N 3.25Å; E479-A481 VanDerWaalsContact C-N 3.3Å; E479-A481 PolarHBondContact O-N 2.86Å
482	K	47.8	Very low	59.2	Low	134 Å²	134	104.7 Å²	104.7	58%	0.583	58%	0.577	S	S	*	*	H	α-helix	trans	-85.7	-29	174.8	-70.6	170.9	-168.3	122	0	112.4	E478 E479 K480	E478-K482 VanDerWaalsContact O-CD 3.3Å; E478-K482 WeakPolarHBondContact O-CD 3.21Å; E478-K482 VanDerWaalsContact O-CE 3.31Å; E478-K482 WeakPolarHBondContact O-CE 3.3Å; E478-K482 WeakPolarHBondContact O-CG 3.28Å; E478-K482 PolarHBondContact O-NZ 3.39Å; E479-K482 PolarHBondContact O-N 3.2Å; K480-K482 PolarHBondContact O-N 3.4Å
483	K	45.1	Very low	62	Low	119 Å²	119	102.3 Å²	102.3	52%	0.517	55%	0.55	S	S	.	.	H	α-helix	trans	-71.3	-38.6	-179.7	-138.8	-177.2	-172.6	-167.4	0	111.9	E469 E479 K480	E469-K483 IonicContact OE1-NZ 3.94Å; E469-K483 PolarHBondContact OE1-NZ 2.87Å; E479-K483 PolarHBondContact O-N 3.45Å; K480-K483 PolarHBondContact O-N 2.96Å; K480-K483 VanDerWaalsContact O-N 3.14Å
484	E	45.8	Very low	64.5	Low	150 Å²	150	95 Å²	95	70%	0.701	51%	0.51	S	S	*	.	H	α-helix	trans	-72.3	-35.1	175.7	-64.6	-163.4	150.3	0	0	113	K480 G486 K487	K480-E484 PolarHBondContact O-N 3.25Å; E484-G486 PolarHBondContact O-N 3.49Å; E484-K487 PolarHBondContact O-N 3.09Å
485	A	46.1	Very low	66.7	Low	89 Å²	89	91.7 Å²	91.7	74%	0.736	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	0.6	177.9	0	0	0	0	0	115
486	G	55.3	Low	69	Low	63 Å²	63	90.9 Å²	90.9	65%	0.649	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.6	-3.5	179.4	0	0	0	0	0	116.1	E484	E484-G486 PolarHBondContact O-N 3.49Å
487	K	62.8	Low	70.6	Confident	144 Å²	144	93.1 Å²	93.1	63%	0.626	48%	0.483	S	S	*	.	S	Bend	trans	-73.7	129.9	173.7	-75.5	-172.8	176.1	-177.9	0	109.1	E484	E484-K487 PolarHBondContact O-N 3.09Å
488	P	77.2	Confident	72.5	Confident	60 Å²	60	90.5 Å²	90.5	39%	0.39	47%	0.466	S	S	.	.	P	Polyproline II helix	trans	-66.1	145.4	179	28.1	-34.5	0	0	0	110.8	E447 T449	E447-P488 HydrophobicContact CG-CB 3.86Å; E447-P488 HydrophobicContact CG-CG 3.71Å; T449-P488 HydrophobicContact CG2-CB 3.79Å; T449-P488 HydrophobicContact CG2-CG 4.37Å
489	H	88.5	Confident	74.5	Confident	114 Å²	114	85.9 Å²	85.9	53%	0.528	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-66.9	134.6	177.4	174.9	33.2	0	0	0	110.4	W448 D491	W448-H489 HydrophobicContact CB-CB 4.39Å; W448-H489 AromaticContact CD1-CD2 3.44Å; W448-H489 VanDerWaalsContact CD1-CD2 3.44Å; W448-H489 AromaticContact CD1-CG 3.82Å; W448-H489 PolarHBondContact N-O 2.7Å; W448-H489 AromaticContact NE1-CD2 3.83Å; H489-D491 IonicContact CE1-OD1 2.88Å; H489-D491 IonicContact NE2-OD1 3.5Å; H489-D491 IonicContact NE2-OD2 3.6Å
490	V	92.4	Very high	76.7	Confident	61 Å²	61	84.6 Å²	84.6	37%	0.37	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	129.6	180	-179.6	0	0	0	0	110.3	F445 F446 E447 L519	F445-V490 HydrophobicContact CB-CG1 3.65Å; F445-V490 HydrophobicContact CD1-CG1 4.24Å; F445-V490 HydrophobicContact CG-CG1 4.29Å; F446-V490 CarbonylContact O-C 3.56Å; F446-V490 VanDerWaalsContact O-CA 3.3Å; F446-V490 WeakPolarHBondContact O-CA 3.32Å; E447-V490 HydrophobicContact CB-CG2 4.12Å; E447-V490 HydrophobicContact CG-CG2 3.99Å; V490-L519 HydrophobicContact CG1-CD1 4.36Å
491	D	92.9	Very high	78.9	Confident	36 Å²	36	77.6 Å²	77.6	19%	0.193	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	145.9	171.1	-73.5	-59.1	0	0	0	112	I382 F445 F446 W448 H489 I493	I382-D491 HydrophobicContact CD1-CB 3.72Å; I382-D491 WeakPolarHBondContact CD1-OD2 3.4Å; F445-D491 CarbonylContact C-O 3.34Å; F445-D491 WeakPolarHBondContact CA-O 3.47Å; F445-D491 VanDerWaalsContact CB-O 3.32Å; F445-D491 WeakPolarHBondContact CB-O 3.32Å; F446-D491 PolarHBondContact N-O 3.06Å; F446-D491 PolarHBondContact O-N 3.18Å; W448-D491 PolarHBondContact NE1-OD2 3.16Å; H489-D491 IonicContact CE1-OD1 2.88Å; H489-D491 IonicContact NE2-OD1 3.5Å; H489-D491 IonicContact NE2-OD2 3.6Å; D491-I493 HydrophobicContact CB-CD1 4.45Å
492	E	95.6	Very high	81.2	Confident	111 Å²	111	76.9 Å²	76.9	52%	0.519	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	124.2	167.7	-172.9	177.4	87.6	0	0	110.6	F445 P495	F445-E492 HydrophobicContact CD1-CB 3.91Å; F445-E492 HydrophobicContact CD1-CG 4.12Å; F445-E492 HydrophobicContact CE1-CB 3.85Å; F445-E492 HydrophobicContact CE1-CG 3.76Å; F445-E492 HydrophobicContact CZ-CG 4.43Å; E492-P495 VanDerWaalsContact CD-CA 3.44Å; E492-P495 WeakPolarHBondContact OE1-CB 3.47Å; E492-P495 WeakPolarHBondContact OE2-CA 3.37Å
493	I	96.6	Very high	83.4	Confident	11 Å²	11	77.1 Å²	77.1	6%	0.056	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	-47.3	175.3	-52	-54.1	0	0	0	110	I382 P385 V444 F446 D491 H510 Y518	I382-I493 HydrophobicContact CG2-CD1 3.64Å; P385-I493 HydrophobicContact CB-CG2 4.11Å; P385-I493 HydrophobicContact CG-CG2 4.27Å; P385-I493 VanDerWaalsContact CG-O 3.31Å; P385-I493 WeakPolarHBondContact CG-O 3.46Å; V444-I493 HydrophobicContact CB-CB 4.31Å; V444-I493 HydrophobicContact CG1-CB 4.19Å; V444-I493 CarbonylContact O-C 3.6Å; V444-I493 WeakPolarHBondContact O-CA 3.49Å; V444-I493 WeakPolarHBondContact O-CB 3.31Å; V444-I493 PolarHBondContact O-N 3.4Å; F446-I493 HydrophobicContact CB-CD1 3.89Å; F446-I493 HydrophobicContact CB-CG1 3.86Å; D491-I493 HydrophobicContact CB-CD1 4.45Å; I493-H510 HydrophobicContact CG2-CB 4Å; I493-H510 VanDerWaalsContact CG2-CG 3.48Å; I493-H510 WeakPolarHBondContact CG2-ND1 3.34Å; I493-Y518 HydrophobicContact CG1-CE1 4.49Å
494	V	96.4	Very high	85.8	Confident	6 Å²	6	74.4 Å²	74.4	4%	0.036	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	116	175.6	179	0	0	0	0	108.4	P385 W431 G443 V444	P385-V494 HydrophobicContact CB-CG2 3.92Å; P385-V494 HydrophobicContact CG-CG2 3.74Å; W431-V494 HydrophobicContact CH2-CG2 4.39Å; W431-V494 HydrophobicContact CZ2-CG2 4.04Å; G443-V494 CarbonylContact C-O 3.6Å; G443-V494 WeakPolarHBondContact CA-O 3.33Å; V444-V494 HydrophobicContact CB-CB 3.94Å; V444-V494 HydrophobicContact CB-CG2 4.05Å; V444-V494 HydrophobicContact CG2-CB 4.07Å; V444-V494 HydrophobicContact CG2-CG2 4.07Å; V444-V494 PolarHBondContact N-O 3.22Å; V444-V494 PolarHBondContact O-N 2.66Å
495	P	94.8	Very high	88.3	Confident	42 Å²	42	67.2 Å²	67.2	27%	0.273	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	142.2	175.3	16.8	-29.5	0	0	0	113	E492 Y497 R499	E492-P495 VanDerWaalsContact CD-CA 3.44Å; E492-P495 WeakPolarHBondContact OE1-CB 3.47Å; E492-P495 WeakPolarHBondContact OE2-CA 3.37Å; P495-Y497 HydrophobicContact CB-CD2 4.15Å; P495-Y497 HydrophobicContact CB-CE2 3.74Å; P495-Y497 HydrophobicContact CG-CD2 4.1Å; P495-Y497 HydrophobicContact CG-CE2 3.59Å; P495-Y497 PolarHBondContact O-N 3.37Å; P495-R499 PolarHBondContact O-NH2 3.42Å
496	V	94.2	Very high	90.8	Very high	45 Å²	45	65.2 Å²	65.2	27%	0.273	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	105.2	178	-177.2	0	0	0	0	109.4	F445 D523	F445-V496 HydrophobicContact CE2-CG2 3.79Å; F445-V496 HydrophobicContact CZ-CG2 3.9Å; V496-D523 HydrophobicContact CG1-CB 3.8Å
497	Y	91.8	Very high	92.9	Very high	128 Å²	128	62.2 Å²	62.2	50%	0.502	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	150.8	170.8	-65.3	-56.9	0	0	0	110.6	F442 P495 R499	F442-Y497 PolarHBondContact N-O 2.9Å; F442-Y497 PolarHBondContact O-N 2.88Å; P495-Y497 HydrophobicContact CB-CD2 4.15Å; P495-Y497 HydrophobicContact CB-CE2 3.74Å; P495-Y497 HydrophobicContact CG-CD2 4.1Å; P495-Y497 HydrophobicContact CG-CE2 3.59Å; P495-Y497 PolarHBondContact O-N 3.37Å; Y497-R499 WeakPolarHBondContact O-CD 3.34Å; Y497-R499 WeakPolarHBondContact O-CG 3.14Å; Y497-R499 PolarHBondContact O-NE 3.05Å; Y497-R499 VanDerWaalsContact O-NE 3.14Å
498	R	96.1	Very high	94.6	Very high	125 Å²	125	55.4 Å²	55.4	47%	0.472	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	132.2	174.7	-67.7	171.2	59.1	-173.2	-3.1	110.3	D439 I440 Y526	D439-R498 IonicContact OD1-NH2 3.75Å; D439-R498 IonicContact OD2-CZ 2.7Å; D439-R498 IonicContact OD2-NE 2.61Å; D439-R498 PolarHBondContact OD2-NE 2.68Å; D439-R498 IonicContact OD2-NH2 3.28Å; D439-R498 PolarHBondContact OD2-NH2 3.07Å; I440-R498 CarbonylContact O-C 3.58Å; I440-R498 WeakPolarHBondContact O-CA 3.48Å; R498-Y526 HydrophobicContact CG-CD1 4.25Å; R498-Y526 HydrophobicContact CG-CE1 3.82Å; R498-Y526 HydrophobicContact CG-CE2 4.43Å; R498-Y526 VanDerWaalsContact NE-CE2 3.32Å
499	R	95.8	Very high	95.6	Very high	47 Å²	47	53.1 Å²	53.1	18%	0.177	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	131.8	-176.7	-47.4	-58.6	176.8	166.4	3.3	110.1	F433 D439 I440 F442 P495 Y497 C501 Y506	F433-R499 HydrophobicContact CE2-CB 4.34Å; F433-R499 HydrophobicContact CE2-CG 4.44Å; F433-R499 HydrophobicContact CZ-CB 4.46Å; F433-R499 HydrophobicContact CZ-CG 4.17Å; D439-R499 VanDerWaalsContact CA-O 3.32Å; D439-R499 WeakPolarHBondContact CA-O 3.34Å; D439-R499 WeakPolarHBondContact CB-O 3.38Å; I440-R499 PolarHBondContact N-O 3.36Å; I440-R499 PolarHBondContact O-N 2.92Å; F442-R499 HydrophobicContact CB-CG 3.93Å; P495-R499 PolarHBondContact O-NH2 3.42Å; Y497-R499 WeakPolarHBondContact O-CD 3.34Å; Y497-R499 WeakPolarHBondContact O-CG 3.14Å; Y497-R499 PolarHBondContact O-NE 3.05Å; Y497-R499 VanDerWaalsContact O-NE 3.14Å; R499-C501 HydrophobicContact CB-CB 4.5Å; R499-C501 PolarHBondContact O-N 2.98Å; R499-Y506 HydrophobicContact CB-CD1 4.01Å; R499-Y506 HydrophobicContact CB-CD2 4.38Å; R499-Y506 HydrophobicContact CB-CE1 3.82Å; R499-Y506 HydrophobicContact CB-CE2 4.18Å; R499-Y506 HydrophobicContact CB-CG 4.28Å; R499-Y506 HydrophobicContact CG-CD1 4.19Å; R499-Y506 HydrophobicContact CG-CE1 4.15Å
500	D	96.1	Very high	96	Very high	77 Å²	77	47.8 Å²	47.8	41%	0.412	23%	0.226	S	C	.	.			trans	-77.5	45.2	177.6	-61.3	-63.6	0	0	0	112.6	H502 E503	D500-H502 PolarHBondContact O-N 2.89Å; D500-H502 IonicContact OD1-CE1 2.8Å; D500-H502 PolarHBondContact OD1-CE1 3.36Å; D500-E503 PolarHBondContact O-N 3.25Å
501	C	96.4	Very high	96.3	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	12	-178.6	64.8	0	0	0	0	114.5	I393 F433 A434 T435 R499 E504 Y506	I393-C501 WeakPolarHBondContact CD1-O 3.49Å; F433-C501 HydrophobicContact CD2-CB 3.88Å; F433-C501 HydrophobicContact CE2-CB 3.73Å; A434-C501 CarbonylContact C-O 3.44Å; A434-C501 WeakPolarHBondContact CA-O 3.11Å; A434-C501 WeakPolarHBondContact CB-O 3.43Å; T435-C501 PolarHBondContact N-O 2.87Å; T435-C501 PolarHBondContact OG1-SG 3.38Å; R499-C501 HydrophobicContact CB-CB 4.5Å; R499-C501 PolarHBondContact O-N 2.98Å; C501-E504 CarbonylContact C-O 3.45Å; C501-E504 WeakPolarHBondContact CA-O 3.36Å; C501-Y506 HydrophobicContact CB-CD2 3.45Å; C501-Y506 VanDerWaalsContact CB-CD2 3.45Å; C501-Y506 HydrophobicContact CB-CE2 4.06Å; C501-Y506 HydrophobicContact CB-CG 4.14Å
502	H	96.5	Very high	96.5	Very high	52 Å²	52	49.1 Å²	49.1	24%	0.241	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-16.1	166.4	63.1	-67.8	0	0	0	112.7	I393 T435 Y438 D439 D500	I393-H502 WeakPolarHBondContact CD1-O 3.21Å; T435-H502 WeakPolarHBondContact O-CA 3.02Å; T435-H502 PolarHBondContact OG1-N 2.97Å; Y438-H502 VanDerWaalsContact C-ND1 3.26Å; D439-H502 PolarHBondContact N-ND1 3.26Å; D500-H502 PolarHBondContact O-N 2.89Å; D500-H502 IonicContact OD1-CE1 2.8Å; D500-H502 PolarHBondContact OD1-CE1 3.36Å
503	E	94.3	Very high	96.4	Very high	139 Å²	139	45 Å²	45	65%	0.65	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-48.7	173.9	-54.3	-161.7	144.7	0	0	111.4	D500	D500-E503 PolarHBondContact O-N 3.25Å
504	E	96.3	Very high	96.2	Very high	62 Å²	62	45.9 Å²	45.9	29%	0.29	22%	0.221	S	C	.	.	S	Bend	trans	-125	159.1	178.3	-67	-151.8	115.5	0	0	112.4	T389 R390 P391 C501 Y506	T389-E504 WeakPolarHBondContact CB-OE2 3.42Å; T389-E504 PolarHBondContact OG1-OE2 2.86Å; R390-E504 WeakPolarHBondContact O-CB 3.38Å; P391-E504 WeakPolarHBondContact CA-OE1 3.5Å; P391-E504 WeakPolarHBondContact CB-OE1 3.44Å; P391-E504 WeakPolarHBondContact CD-OE1 3.12Å; P391-E504 VanDerWaalsContact N-OE1 3.16Å; C501-E504 CarbonylContact C-O 3.45Å; C501-E504 WeakPolarHBondContact CA-O 3.36Å; E504-Y506 PolarHBondContact O-N 3.09Å
505	V	98.5	Very high	95.9	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	123.1	167.8	-168.6	0	0	0	0	108.2	T389 R390 I393 F396 E432 F433	T389-V505 CarbonylContact C-O 3.51Å; T389-V505 WeakPolarHBondContact CA-O 3.24Å; R390-V505 HydrophobicContact CG-CB 3.82Å; R390-V505 HydrophobicContact CG-CG2 4.19Å; R390-V505 PolarHBondContact N-O 2.86Å; R390-V505 PolarHBondContact O-N 3.07Å; I393-V505 HydrophobicContact CB-CG2 3.99Å; I393-V505 HydrophobicContact CG1-CG2 4.24Å; F396-V505 HydrophobicContact CB-CG2 3.68Å; F396-V505 HydrophobicContact CD1-CB 4.38Å; F396-V505 HydrophobicContact CD1-CG1 3.7Å; F396-V505 HydrophobicContact CD1-CG2 3.73Å; F396-V505 HydrophobicContact CD2-CG1 4.3Å; F396-V505 HydrophobicContact CE1-CG1 3.76Å; F396-V505 HydrophobicContact CE2-CG1 4.32Å; F396-V505 HydrophobicContact CG-CG1 3.98Å; F396-V505 HydrophobicContact CG-CG2 3.81Å; F396-V505 HydrophobicContact CZ-CG1 4.07Å; E432-V505 HydrophobicContact CB-CG1 4.28Å; F433-V505 WeakPolarHBondContact O-CG1 3.4Å
506	Y	98.6	Very high	95.9	Very high	46 Å²	46	49.3 Å²	49.3	18%	0.18	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	142.6	170	-83.3	-112.1	0	0	0	109.5	M387 T389 E432 F433 R499 C501 E504	M387-Y506 HydrophobicContact CE-CD1 4.37Å; T389-Y506 HydrophobicContact CG2-CD1 3.95Å; T389-Y506 HydrophobicContact CG2-CD2 3.93Å; T389-Y506 HydrophobicContact CG2-CE1 3.86Å; T389-Y506 HydrophobicContact CG2-CE2 3.86Å; T389-Y506 HydrophobicContact CG2-CG 3.99Å; E432-Y506 CarbonylContact C-O 3.59Å; E432-Y506 VanDerWaalsContact CA-O 3.29Å; E432-Y506 WeakPolarHBondContact CA-O 3.37Å; F433-Y506 HydrophobicContact CE2-CG 4.4Å; F433-Y506 VanDerWaalsContact CZ-CB 3.41Å; F433-Y506 HydrophobicContact CZ-CD1 4.42Å; F433-Y506 HydrophobicContact CZ-CG 4.07Å; F433-Y506 PolarHBondContact N-O 3.28Å; F433-Y506 PolarHBondContact O-N 3.11Å; R499-Y506 HydrophobicContact CB-CD1 4.01Å; R499-Y506 HydrophobicContact CB-CD2 4.38Å; R499-Y506 HydrophobicContact CB-CE1 3.82Å; R499-Y506 HydrophobicContact CB-CE2 4.18Å; R499-Y506 HydrophobicContact CB-CG 4.28Å; R499-Y506 HydrophobicContact CG-CD1 4.19Å; R499-Y506 HydrophobicContact CG-CE1 4.15Å; C501-Y506 HydrophobicContact CB-CD2 3.45Å; C501-Y506 VanDerWaalsContact CB-CD2 3.45Å; C501-Y506 HydrophobicContact CB-CE2 4.06Å; C501-Y506 HydrophobicContact CB-CG 4.14Å; E504-Y506 PolarHBondContact O-N 3.09Å
507	A	98.6	Very high	95.9	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.008	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	159	-178.9	0	0	0	0	0	110.9	M387 W388 W431 E432	M387-A507 WeakPolarHBondContact CA-O 3.36Å; W388-A507 HydrophobicContact CD2-CB 4.29Å; W388-A507 HydrophobicContact CG-CB 4.43Å; W388-A507 HydrophobicContact CZ2-CB 4.06Å; W388-A507 PolarHBondContact N-O 3.14Å; W388-A507 PolarHBondContact O-N 3.31Å; W431-A507 CarbonylContact O-C 3.56Å; W431-A507 VanDerWaalsContact O-CA 3.23Å; W431-A507 WeakPolarHBondContact O-CA 3.07Å; E432-A507 HydrophobicContact CG-CB 3.83Å
508	G	98.3	Very high	96.2	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.8	175.4	174.6	0	0	0	0	0	113.3	S386 F430 W431	S386-G508 CarbonylContact O-C 3.46Å; S386-G508 WeakPolarHBondContact O-CA 3.5Å; F430-G508 WeakPolarHBondContact CA-O 3.31Å; W431-G508 PolarHBondContact N-O 2.92Å; W431-G508 PolarHBondContact O-N 2.61Å
509	S	98.4	Very high	96.2	Very high	13 Å²	13	35.9 Å²	35.9	9%	0.091	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	154.5	172.5	60.7	0	0	0	0	112.3	P385 S386 L429 W431	P385-S509 WeakPolarHBondContact CA-O 3.35Å; S386-S509 PolarHBondContact N-O 3.5Å; S386-S509 PolarHBondContact O-N 3.11Å; L429-S509 CarbonylContact O-C 3.42Å; L429-S509 WeakPolarHBondContact O-CA 3.47Å; L429-S509 VanDerWaalsContact O-CB 3.23Å; L429-S509 WeakPolarHBondContact O-CB 3.33Å; W431-S509 VanDerWaalsContact CH2-C 3.47Å
510	H	98.4	Very high	96.3	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.009	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	142.7	175.2	-179.9	-123	0	0	0	109.9	A383 P385 Y428 L429 W431 I493 Y518	A383-H510 PolarHBondContact O-CD2 2.94Å; A383-H510 PolarHBondContact O-NE2 3.01Å; P385-H510 HydrophobicContact CB-CB 4.28Å; Y428-H510 CarbonylContact C-O 3.48Å; Y428-H510 VanDerWaalsContact CA-O 3.3Å; Y428-H510 WeakPolarHBondContact CA-O 3.13Å; L429-H510 PolarHBondContact N-O 3.41Å; L429-H510 PolarHBondContact O-N 3.11Å; W431-H510 HydrophobicContact CH2-CB 3.87Å; W431-H510 HydrophobicContact CZ3-CB 3.87Å; I493-H510 HydrophobicContact CG2-CB 4Å; I493-H510 VanDerWaalsContact CG2-CG 3.48Å; I493-H510 WeakPolarHBondContact CG2-ND1 3.34Å; H510-Y518 HydrophobicContact CB-CE1 4.44Å; H510-Y518 AromaticContact ND1-CE1 3.41Å; H510-Y518 WeakPolarHBondContact ND1-CE1 3.38Å; H510-Y518 AromaticContact ND1-CZ 3.72Å; H510-Y518 PolarHBondContact ND1-OH 2.82Å
511	Q	97.8	Very high	96.4	Very high	90 Å²	90	32.4 Å²	32.4	42%	0.421	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	146	174.9	-165.2	169.2	-31.4	0	0	109.5	A383 Y428 P513 Y518	A383-Q511 HydrophobicContact CB-CB 4.03Å; Y428-Q511 VanDerWaalsContact CD1-CA 3.42Å; Y428-Q511 HydrophobicContact CD1-CB 3.85Å; Y428-Q511 HydrophobicContact CD1-CG 4.29Å; Y428-Q511 HydrophobicContact CE1-CB 3.45Å; Y428-Q511 VanDerWaalsContact CE1-CB 3.45Å; Y428-Q511 HydrophobicContact CE1-CG 3.76Å; Y428-Q511 HydrophobicContact CE2-CG 4.27Å; Y428-Q511 PolarHBondContact OH-OE1 3.29Å; Q511-P513 VanDerWaalsContact O-CD 3.24Å; Q511-P513 WeakPolarHBondContact O-CD 3.41Å; Q511-Y518 PolarHBondContact O-OH 2.92Å
512	Y	96.3	Very high	96.4	Very high	34 Å²	34	32.5 Å²	32.5	13%	0.133	16%	0.155	C	C	.	.			trans	-65.5	117	173.2	-70.6	0.6	0	0	0	109.3	T422 H423 G426 S427 L429 G514 Y518 Y540	T422-Y512 HydrophobicContact CG2-CD1 4.15Å; T422-Y512 HydrophobicContact CG2-CD2 3.99Å; T422-Y512 HydrophobicContact CG2-CE1 4.2Å; T422-Y512 HydrophobicContact CG2-CE2 4.06Å; T422-Y512 HydrophobicContact CG2-CG 4.03Å; H423-Y512 PolarHBondContact N-OH 2.91Å; G426-Y512 VanDerWaalsContact O-CD2 3.22Å; G426-Y512 WeakPolarHBondContact O-CD2 3.41Å; G426-Y512 WeakPolarHBondContact O-CE2 3.45Å; S427-Y512 PolarHBondContact O-N 3.31Å; L429-Y512 HydrophobicContact CB-CE1 4.06Å; Y512-G514 VanDerWaalsContact C-N 3.25Å; Y512-Y518 WeakPolarHBondContact CA-OH 3.48Å; Y512-Y518 AromaticContact CD1-CE2 3.72Å; Y512-Y518 HydrophobicContact CD1-CE2 3.72Å; Y512-Y518 WeakPolarHBondContact CD1-OH 3.33Å; Y512-Y518 AromaticContact CE1-CE2 3.76Å; Y512-Y518 HydrophobicContact CE1-CE2 3.76Å; Y512-Y540 WeakPolarHBondContact OH-CB 3.24Å
513	P	93.9	Very high	96.3	Very high	24 Å²	24	31.5 Å²	31.5	16%	0.156	15%	0.152	C	C	.	.			trans	-76.6	-20	175.9	33.8	-35.2	0	0	0	111.2	I382 F446 W448 Q511 Y518	I382-P513 HydrophobicContact CG1-CB 4.16Å; F446-P513 HydrophobicContact CD1-CG 3.68Å; F446-P513 HydrophobicContact CD2-CG 4.1Å; F446-P513 HydrophobicContact CE1-CG 3.64Å; F446-P513 HydrophobicContact CE2-CG 4.05Å; F446-P513 HydrophobicContact CG-CG 3.91Å; F446-P513 HydrophobicContact CZ-CG 3.81Å; W448-P513 HydrophobicContact CH2-CB 3.95Å; W448-P513 HydrophobicContact CH2-CG 4.11Å; W448-P513 HydrophobicContact CZ2-CB 4.08Å; W448-P513 HydrophobicContact CZ2-CG 4.1Å; Q511-P513 VanDerWaalsContact O-CD 3.24Å; Q511-P513 WeakPolarHBondContact O-CD 3.41Å; P513-Y518 WeakPolarHBondContact CD-OH 3.16Å
514	G	92.3	Very high	96.3	Very high	30 Å²	30	24.9 Å²	24.9	31%	0.309	12%	0.121	S	C	.	.	S	Bend	trans	178.5	-152.7	176.4	0	0	0	0	0	110.6	Y512	Y512-G514 VanDerWaalsContact C-N 3.25Å
515	R	91.4	Very high	95.6	Very high	120 Å²	120	23 Å²	23	45%	0.453	12%	0.115	S	C	.	.	S	Bend	trans	-88.9	135.2	172.4	178.3	173.5	-71	-147.7	-9.9	109.8	E424 D450	E424-R515 IonicContact OE1-CZ 2.77Å; E424-R515 IonicContact OE1-NH1 3.15Å; E424-R515 IonicContact OE1-NH2 3.36Å; E424-R515 PolarHBondContact OE1-NH2 3.49Å; D450-R515 WeakPolarHBondContact OD1-CD 3.34Å
516	G	93.3	Very high	94.6	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.119	C	C	.	.	S	Bend	trans	168.7	-159.3	-178	0	0	0	0	0	113.5	T422 E447 T449	T422-G516 PolarHBondContact N-O 2.88Å; T422-G516 PolarHBondContact OG1-N 3.42Å; T422-G516 VanDerWaalsContact OG1-N 3.1Å; T422-G516 PolarHBondContact OG1-O 3.08Å; E447-G516 CarbonylContact O-C 3.45Å; E447-G516 WeakPolarHBondContact O-CA 3.49Å; T449-G516 WeakPolarHBondContact O-CA 3.31Å
517	V	95.5	Very high	93.3	Very high	5 Å²	5	22.7 Å²	22.7	3%	0.03	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	123.6	-177.4	-179.3	0	0	0	0	110.1	R419 P421 E447 A451 L519	R419-V517 HydrophobicContact CB-CG1 3.8Å; R419-V517 HydrophobicContact CG-CG1 4.45Å; P421-V517 HydrophobicContact CB-CG2 4.31Å; P421-V517 HydrophobicContact CG-CG2 4.27Å; E447-V517 HydrophobicContact CB-CB 4.45Å; E447-V517 PolarHBondContact N-O 3.12Å; E447-V517 PolarHBondContact O-N 3.15Å; A451-V517 HydrophobicContact CB-CG2 3.75Å; V517-L519 HydrophobicContact CG1-CD2 4.05Å
518	Y	96.7	Very high	91	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	134.5	169.5	-72.5	-84.6	0	0	0	110.7	R419 V420 T422 L429 V444 F445 F446 I493 H510 Q511 Y512 P513	R419-Y518 CarbonylContact C-O 3.39Å; R419-Y518 WeakPolarHBondContact CA-O 3.31Å; V420-Y518 PolarHBondContact N-O 3.02Å; V420-Y518 PolarHBondContact O-N 3.33Å; T422-Y518 HydrophobicContact CG2-CD2 4.45Å; T422-Y518 HydrophobicContact CG2-CE2 4.04Å; L429-Y518 HydrophobicContact CB-CD2 4.14Å; L429-Y518 HydrophobicContact CB-CE2 3.9Å; L429-Y518 HydrophobicContact CD2-CD1 4Å; L429-Y518 HydrophobicContact CD2-CD2 3.65Å; L429-Y518 HydrophobicContact CD2-CE2 4.24Å; L429-Y518 HydrophobicContact CD2-CG 3.5Å; L429-Y518 HydrophobicContact CG-CD2 4.43Å; V444-Y518 HydrophobicContact CG1-CD1 3.88Å; F445-Y518 CarbonylContact O-C 3.59Å; F445-Y518 WeakPolarHBondContact O-CA 3.35Å; F446-Y518 AromaticContact CD2-CD1 3.81Å; F446-Y518 HydrophobicContact CD2-CD1 3.81Å; F446-Y518 HydrophobicContact CD2-CD2 4.02Å; F446-Y518 AromaticContact CD2-CE1 3.62Å; F446-Y518 HydrophobicContact CD2-CE1 3.62Å; F446-Y518 AromaticContact CD2-CE2 3.85Å; F446-Y518 HydrophobicContact CD2-CE2 3.85Å; F446-Y518 HydrophobicContact CD2-CG 4.01Å; F446-Y518 AromaticContact CD2-CZ 3.66Å; F446-Y518 HydrophobicContact CE2-CD2 4.12Å; F446-Y518 HydrophobicContact CE2-CE1 4.33Å; F446-Y518 AromaticContact CE2-CE2 3.77Å; F446-Y518 HydrophobicContact CE2-CE2 3.77Å; F446-Y518 AromaticContact CE2-CZ 3.89Å; I493-Y518 HydrophobicContact CG1-CE1 4.49Å; H510-Y518 HydrophobicContact CB-CE1 4.44Å; H510-Y518 AromaticContact ND1-CE1 3.41Å; H510-Y518 WeakPolarHBondContact ND1-CE1 3.38Å; H510-Y518 AromaticContact ND1-CZ 3.72Å; H510-Y518 PolarHBondContact ND1-OH 2.82Å; Q511-Y518 PolarHBondContact O-OH 2.92Å; Y512-Y518 WeakPolarHBondContact CA-OH 3.48Å; Y512-Y518 AromaticContact CD1-CE2 3.72Å; Y512-Y518 HydrophobicContact CD1-CE2 3.72Å; Y512-Y518 WeakPolarHBondContact CD1-OH 3.33Å; Y512-Y518 AromaticContact CE1-CE2 3.76Å; Y512-Y518 HydrophobicContact CE1-CE2 3.76Å; P513-Y518 WeakPolarHBondContact CD-OH 3.16Å
519	L	97.1	Very high	89.3	Confident	12 Å²	12	27.2 Å²	27.2	6%	0.063	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	97.4	177.2	-48.7	-179	0	0	0	108.6	T417 R419 V444 F445 E447 V490 V517 K521	T417-L519 HydrophobicContact CG2-CB 3.82Å; T417-L519 HydrophobicContact CG2-CD2 4.22Å; R419-L519 HydrophobicContact CG-CD2 3.85Å; V444-L519 WeakPolarHBondContact CA-O 3.38Å; F445-L519 HydrophobicContact CB-CB 4.15Å; F445-L519 HydrophobicContact CB-CD1 4.38Å; F445-L519 PolarHBondContact N-O 2.92Å; F445-L519 PolarHBondContact O-N 3.28Å; E447-L519 HydrophobicContact CB-CD1 4.17Å; E447-L519 HydrophobicContact CB-CD2 4.4Å; E447-L519 HydrophobicContact CB-CG 4.26Å; V490-L519 HydrophobicContact CG1-CD1 4.36Å; V517-L519 HydrophobicContact CG1-CD2 4.05Å; L519-K521 PolarHBondContact O-N 2.85Å
520	L	97.9	Very high	88.2	Confident	2 Å²	2	31.2 Å²	31.2	1%	0.01	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	100.5	174	-81.9	64.5	0	0	0	107.8	T417 V418 V420 L429 W431 F442 V444 F522 V538	T417-L520 WeakPolarHBondContact CA-O 3.3Å; V418-L520 HydrophobicContact CB-CB 4.25Å; V418-L520 PolarHBondContact N-O 3.46Å; V418-L520 PolarHBondContact O-N 3.03Å; V420-L520 HydrophobicContact CG2-CD1 4.39Å; L429-L520 HydrophobicContact CD2-CD1 4.04Å; W431-L520 HydrophobicContact CB-CD2 3.97Å; F442-L520 HydrophobicContact CE2-CB 4.26Å; F442-L520 HydrophobicContact CE2-CD2 4.31Å; F442-L520 HydrophobicContact CE2-CG 4.17Å; F442-L520 HydrophobicContact CZ-CD2 4.42Å; F442-L520 HydrophobicContact CZ-CG 4.22Å; V444-L520 HydrophobicContact CG1-CD1 4.23Å; V444-L520 HydrophobicContact CG2-CG 4.31Å; L520-F522 HydrophobicContact CB-CE2 4.38Å; L520-V538 HydrophobicContact CD2-CG1 3.63Å
521	K	97.4	Very high	87.8	Confident	49 Å²	49	34.5 Å²	34.5	21%	0.213	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	111.2	179	-66.6	-153.4	174.5	-166.7	0	109.9	V415 T417 F442 G443 F445 E466 L519	V415-K521 HydrophobicContact CG1-CB 4.16Å; V415-K521 HydrophobicContact CG1-CD 4.2Å; T417-K521 HydrophobicContact CG2-CG 4.21Å; F442-K521 WeakPolarHBondContact CA-O 3.33Å; G443-K521 PolarHBondContact N-O 3.36Å; G443-K521 PolarHBondContact O-N 3.38Å; F445-K521 HydrophobicContact CD2-CD 4.34Å; F445-K521 HydrophobicContact CD2-CG 4.12Å; F445-K521 HydrophobicContact CE2-CB 4.43Å; F445-K521 HydrophobicContact CE2-CD 4.08Å; F445-K521 HydrophobicContact CE2-CG 4.12Å; E466-K521 IonicContact OE1-NZ 3.89Å; E466-K521 PolarHBondContact OE1-NZ 2.91Å; L519-K521 PolarHBondContact O-N 2.85Å
522	F	97.8	Very high	87.7	Confident	1 Å²	1	30.5 Å²	30.5	0%	0.004	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	95.8	168.6	-68.1	-73.4	0	0	0	108.8	I408 V410 V415 V416 V418 F433 I440 F442 L520 V534	I408-F522 HydrophobicContact CD1-CD2 3.71Å; I408-F522 HydrophobicContact CD1-CE2 4.07Å; I408-F522 HydrophobicContact CD1-CG 4.35Å; V410-F522 HydrophobicContact CG2-CB 4.06Å; V415-F522 WeakPolarHBondContact CA-O 3.49Å; V416-F522 PolarHBondContact N-O 3.22Å; V416-F522 PolarHBondContact O-N 3.28Å; V418-F522 HydrophobicContact CG2-CD2 4.11Å; V418-F522 HydrophobicContact CG2-CE2 3.88Å; F433-F522 HydrophobicContact CB-CE1 3.85Å; F433-F522 HydrophobicContact CB-CZ 4.11Å; F433-F522 HydrophobicContact CD1-CE1 4.38Å; F433-F522 AromaticContact CD2-CE1 3.95Å; F433-F522 HydrophobicContact CD2-CE1 3.95Å; F433-F522 AromaticContact CG-CE1 3.81Å; F433-F522 HydrophobicContact CG-CE1 3.81Å; F433-F522 HydrophobicContact CG-CZ 4.41Å; I440-F522 HydrophobicContact CD1-CB 3.98Å; I440-F522 HydrophobicContact CG2-CD1 4.45Å; F442-F522 AromaticContact CD2-CD1 3.83Å; F442-F522 HydrophobicContact CD2-CD1 3.83Å; F442-F522 AromaticContact CD2-CE1 3.52Å; F442-F522 HydrophobicContact CD2-CE1 3.52Å; F442-F522 HydrophobicContact CD2-CZ 4.13Å; F442-F522 HydrophobicContact CE2-CD1 4.45Å; F442-F522 AromaticContact CE2-CE1 3.81Å; F442-F522 HydrophobicContact CE2-CE1 3.81Å; F442-F522 AromaticContact CE2-CZ 3.95Å; F442-F522 HydrophobicContact CE2-CZ 3.95Å; L520-F522 HydrophobicContact CB-CE2 4.38Å; F522-V534 HydrophobicContact CD1-CG1 3.85Å; F522-V534 HydrophobicContact CD1-CG2 4.41Å; F522-V534 HydrophobicContact CE1-CG1 3.63Å; F522-V534 HydrophobicContact CE2-CG1 4.49Å; F522-V534 HydrophobicContact CG-CG1 4.38Å; F522-V534 HydrophobicContact CZ-CG1 3.97Å
523	D	94.1	Very high	87.7	Confident	31 Å²	31	31 Å²	31	17%	0.166	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	119.3	-171.6	179.5	-13.6	0	0	0	111.3	V415 I440 G441 V496 S525 Y526	V415-D523 HydrophobicContact CG1-CB 4.31Å; V415-D523 HydrophobicContact CG2-CB 4.29Å; I440-D523 WeakPolarHBondContact CG1-O 3.47Å; G441-D523 WeakPolarHBondContact CA-O 3.44Å; G441-D523 PolarHBondContact N-O 3Å; G441-D523 PolarHBondContact O-N 3.18Å; V496-D523 HydrophobicContact CG1-CB 3.8Å; D523-S525 WeakPolarHBondContact OD1-CB 3.23Å; D523-S525 PolarHBondContact OD1-N 2.88Å; D523-S525 PolarHBondContact OD1-OG 2.84Å; D523-S525 PolarHBondContact OD2-OG 2.88Å; D523-Y526 WeakPolarHBondContact O-CE1 3.3Å
524	N	94.3	Very high	88	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.155	C	C	.	.			trans	-120.8	16.5	172.7	-159	36.4	0	0	0	112.7	V410 G411 G413 E414 Y526 S527 R530 K532	V410-N524 HydrophobicContact CB-CB 4.32Å; V410-N524 HydrophobicContact CG1-CB 3.48Å; V410-N524 VanDerWaalsContact CG1-CB 3.48Å; V410-N524 PolarHBondContact O-ND2 3.36Å; G411-N524 PolarHBondContact O-ND2 2.92Å; G413-N524 PolarHBondContact N-O 3.16Å; G413-N524 VanDerWaalsContact N-O 3.13Å; E414-N524 CarbonylContact O-C 3.58Å; E414-N524 VanDerWaalsContact O-CA 3.3Å; E414-N524 WeakPolarHBondContact O-CA 3.33Å; E414-N524 WeakPolarHBondContact O-CB 3.45Å; E414-N524 PolarHBondContact O-N 3.48Å; N524-Y526 PolarHBondContact O-N 3.34Å; N524-S527 PolarHBondContact O-N 2.98Å; N524-S527 WeakPolarHBondContact OD1-CB 3.49Å; N524-R530 PolarHBondContact ND2-O 2.93Å; N524-K532 PolarHBondContact OD1-NZ 3.44Å
525	S	81.6	Confident	88.3	Confident	24 Å²	24	29.1 Å²	29.1	17%	0.168	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-35	179.1	68.1	0	0	0	0	112.4	R136 E414 S463 D523	R136-S525 PolarHBondContact NH1-O 3.35Å; E414-S525 PolarHBondContact O-N 3.48Å; S463-S525 WeakPolarHBondContact OG-CB 3.17Å; D523-S525 WeakPolarHBondContact OD1-CB 3.23Å; D523-S525 PolarHBondContact OD1-N 2.88Å; D523-S525 PolarHBondContact OD1-OG 2.84Å; D523-S525 PolarHBondContact OD2-OG 2.88Å
526	Y	77.4	Confident	88.6	Confident	20 Å²	20	24 Å²	24	8%	0.078	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-20.2	178.4	72.8	-86.1	0	0	0	114.2	D439 I440 R498 D523 N524 L528	D439-Y526 VanDerWaalsContact C-OH 3.24Å; D439-Y526 PolarHBondContact O-OH 2.88Å; D439-Y526 VanDerWaalsContact O-OH 3.13Å; D439-Y526 PolarHBondContact OD1-OH 2.89Å; D439-Y526 PolarHBondContact OD2-OH 3.36Å; D439-Y526 VanDerWaalsContact OD2-OH 3.13Å; I440-Y526 VanDerWaalsContact CA-OH 3.24Å; I440-Y526 WeakPolarHBondContact CA-OH 3.43Å; I440-Y526 PolarHBondContact N-OH 3.16Å; R498-Y526 HydrophobicContact CG-CD1 4.25Å; R498-Y526 HydrophobicContact CG-CE1 3.82Å; R498-Y526 HydrophobicContact CG-CE2 4.43Å; R498-Y526 VanDerWaalsContact NE-CE2 3.32Å; D523-Y526 WeakPolarHBondContact O-CE1 3.3Å; N524-Y526 PolarHBondContact O-N 3.34Å; Y526-L528 PolarHBondContact O-N 2.66Å
527	S	71.8	Confident	88.8	Confident	18 Å²	18	28 Å²	28	13%	0.126	14%	0.138	C	C	.	.			trans	-93.1	97.4	-172.4	-149.4	0	0	0	0	112.2	R412 G413 N524 W529 K532	R412-S527 WeakPolarHBondContact CA-O 3.34Å; R412-S527 VanDerWaalsContact CB-O 3.29Å; R412-S527 WeakPolarHBondContact CB-O 3.26Å; G413-S527 PolarHBondContact N-O 3.48Å; N524-S527 PolarHBondContact O-N 2.98Å; N524-S527 WeakPolarHBondContact OD1-CB 3.49Å; S527-W529 VanDerWaalsContact C-N 3.3Å; S527-W529 PolarHBondContact O-N 3.26Å; S527-K532 PolarHBondContact OG-NZ 2.72Å
528	L	50.1	Low	88.8	Confident	43 Å²	43	29.3 Å²	29.3	23%	0.225	15%	0.146	C	C	.	.	S	Bend	trans	-58.9	-31.2	-177.7	-66.6	172.2	0	0	0	115.4	K103 V107 R412 Y526	K103-L528 HydrophobicContact CG-CD1 4.48Å; V107-L528 HydrophobicContact CB-CD2 4.33Å; V107-L528 HydrophobicContact CG1-CD2 3.74Å; V107-L528 HydrophobicContact CG2-CD1 3.99Å; V107-L528 HydrophobicContact CG2-CD2 3.65Å; V107-L528 HydrophobicContact CG2-CG 4.32Å; R412-L528 VanDerWaalsContact CD-O 3.31Å; R412-L528 WeakPolarHBondContact CD-O 3.42Å; Y526-L528 PolarHBondContact O-N 2.66Å
529	W	62	Low	88.7	Confident	54 Å²	54	33.7 Å²	33.7	21%	0.205	16%	0.164	C	C	.	.	S	Bend	trans	-134.3	-3.9	-165.8	-45.9	111.2	0	0	0	115.3	F88 K103 V107 S527	F88-W529 HydrophobicContact CD1-CH2 4.11Å; F88-W529 HydrophobicContact CD1-CZ3 4.15Å; F88-W529 AromaticContact CE1-CH2 3.17Å; F88-W529 HydrophobicContact CE1-CH2 3.17Å; F88-W529 AromaticContact CE1-CZ2 3.89Å; F88-W529 HydrophobicContact CE1-CZ2 3.89Å; F88-W529 AromaticContact CE1-CZ3 3.65Å; F88-W529 HydrophobicContact CE1-CZ3 3.65Å; F88-W529 HydrophobicContact CE2-CH2 4.3Å; F88-W529 HydrophobicContact CE2-CZ2 4.35Å; F88-W529 AromaticContact CZ-CH2 3.29Å; F88-W529 HydrophobicContact CZ-CH2 3.29Å; F88-W529 AromaticContact CZ-CZ2 3.48Å; F88-W529 HydrophobicContact CZ-CZ2 3.48Å; F88-W529 VanDerWaalsContact CZ-CZ2 3.48Å; F88-W529 AromaticContact CZ-CZ3 3.94Å; F88-W529 HydrophobicContact CZ-CZ3 3.94Å; K103-W529 HydrophobicContact CD-CZ2 4.43Å; K103-W529 VanDerWaalsContact CD-NE1 3.32Å; K103-W529 VanDerWaalsContact CE-NE1 3.31Å; K103-W529 HydrophobicContact CG-CZ2 4.1Å; V107-W529 HydrophobicContact CG2-CH2 3.57Å; V107-W529 HydrophobicContact CG2-CZ2 3.37Å; S527-W529 VanDerWaalsContact C-N 3.3Å; S527-W529 PolarHBondContact O-N 3.26Å
530	R	75.8	Confident	88.7	Confident	97 Å²	97	37.8 Å²	37.8	37%	0.366	18%	0.179	S	C	.	.			trans	-126.8	104.6	-171.6	-58.8	-60.3	-172.3	-150.6	-2.8	110.7	Y438 N524 K532	Y438-R530 HydrophobicContact CD2-CB 4.07Å; Y438-R530 HydrophobicContact CD2-CG 4.13Å; Y438-R530 HydrophobicContact CE2-CB 4.09Å; Y438-R530 HydrophobicContact CE2-CG 3.74Å; Y438-R530 PolarHBondContact OH-NE 3.32Å; N524-R530 PolarHBondContact ND2-O 2.93Å; R530-K532 PolarHBondContact O-NZ 3.42Å
531	S	89.8	Confident	88.5	Confident	71 Å²	71	40 Å²	40	50%	0.497	19%	0.193	S	C	.	.			trans	-58.1	150.6	157.4	-45.3	0	0	0	0	110	V410	V410-S531 CarbonylContact O-C 3.58Å; V410-S531 WeakPolarHBondContact O-CA 3.47Å
532	K	95.4	Very high	88.1	Confident	5 Å²	5	47.7 Å²	47.7	2%	0.022	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	125.3	177.6	-53.8	-57	-178.4	-48.6	0	109.5	T409 V410 T435 Y438 D439 I440 N524 S527 R530 V534	T409-K532 WeakPolarHBondContact CA-O 3.14Å; V410-K532 PolarHBondContact N-O 3.46Å; V410-K532 PolarHBondContact O-N 3.23Å; T435-K532 HydrophobicContact CG2-CB 4.28Å; Y438-K532 HydrophobicContact CD2-CD 4.28Å; D439-K532 WeakPolarHBondContact O-CE 3.24Å; I440-K532 HydrophobicContact CD1-CB 3.98Å; I440-K532 HydrophobicContact CD1-CG 4.06Å; I440-K532 HydrophobicContact CG1-CG 4.28Å; N524-K532 PolarHBondContact OD1-NZ 3.44Å; S527-K532 PolarHBondContact OG-NZ 2.72Å; R530-K532 PolarHBondContact O-NZ 3.42Å; K532-V534 HydrophobicContact CB-CG2 4.32Å; K532-V534 PolarHBondContact O-N 2.8Å
533	S	97.4	Very high	87.6	Confident	45 Å²	45	50 Å²	50	32%	0.315	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	114.3	161.7	-52	0	0	0	0	107.7	T435 D436	T435-S533 WeakPolarHBondContact CA-O 3.34Å; D436-S533 PolarHBondContact N-O 2.61Å
534	V	98.3	Very high	87.3	Confident	0 Å²	0	51 Å²	51	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	122	178.5	-179.3	0	0	0	0	108.5	V407 I408 V410 F433 T435 I440 F522 K532	V407-V534 WeakPolarHBondContact CA-O 3.4Å; I408-V534 HydrophobicContact CD1-CB 4.29Å; I408-V534 HydrophobicContact CG1-CB 3.76Å; I408-V534 HydrophobicContact CG1-CG1 4.37Å; I408-V534 HydrophobicContact CG1-CG2 4.48Å; I408-V534 PolarHBondContact N-O 3.16Å; I408-V534 PolarHBondContact O-N 2.79Å; V410-V534 HydrophobicContact CG2-CG2 3.82Å; F433-V534 HydrophobicContact CB-CG1 4.44Å; T435-V534 HydrophobicContact CG2-CG2 3.86Å; I440-V534 HydrophobicContact CD1-CG2 3.54Å; F522-V534 HydrophobicContact CD1-CG1 3.85Å; F522-V534 HydrophobicContact CD1-CG2 4.41Å; F522-V534 HydrophobicContact CE1-CG1 3.63Å; F522-V534 HydrophobicContact CE2-CG1 4.49Å; F522-V534 HydrophobicContact CG-CG1 4.38Å; F522-V534 HydrophobicContact CZ-CG1 3.97Å; K532-V534 HydrophobicContact CB-CG2 4.32Å; K532-V534 PolarHBondContact O-N 2.8Å
535	Y	98.4	Very high	86.9	Confident	14 Å²	14	53.8 Å²	53.8	6%	0.055	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	119.3	169.5	-55.3	-94.2	0	0	0	106.6	K397 I400 R401 V407 F433 A434 D436	K397-Y535 HydrophobicContact CB-CD1 4.24Å; K397-Y535 HydrophobicContact CB-CD2 4.45Å; K397-Y535 HydrophobicContact CB-CE1 4.38Å; K397-Y535 HydrophobicContact CB-CG 4.28Å; K397-Y535 HydrophobicContact CD-CD2 4.05Å; K397-Y535 HydrophobicContact CD-CE2 3.98Å; K397-Y535 HydrophobicContact CG-CD1 4.3Å; K397-Y535 HydrophobicContact CG-CD2 3.7Å; K397-Y535 HydrophobicContact CG-CE2 4.03Å; K397-Y535 HydrophobicContact CG-CG 3.84Å; I400-Y535 HydrophobicContact CB-CD1 4.42Å; I400-Y535 HydrophobicContact CG2-CD1 4.24Å; R401-Y535 HydrophobicContact CG-CD1 4.16Å; R401-Y535 HydrophobicContact CG-CE1 3.53Å; R401-Y535 PolarHBondContact NE-OH 3.5Å; R401-Y535 VanDerWaalsContact NE-OH 3.11Å; R401-Y535 PolarHBondContact NH2-OH 3.17Å; V407-Y535 HydrophobicContact CG1-CD1 4.07Å; V407-Y535 HydrophobicContact CG1-CE1 3.95Å; V407-Y535 HydrophobicContact CG2-CD1 3.67Å; V407-Y535 HydrophobicContact CG2-CE1 4.04Å; F433-Y535 CarbonylContact C-O 3.51Å; F433-Y535 WeakPolarHBondContact CA-O 3.36Å; A434-Y535 PolarHBondContact N-O 3.14Å; A434-Y535 PolarHBondContact O-N 3.44Å; D436-Y535 HydrophobicContact CB-CE2 4.39Å; D436-Y535 VanDerWaalsContact CG-CE2 3.45Å; D436-Y535 WeakPolarHBondContact OD1-CE2 3.48Å; D436-Y535 VanDerWaalsContact OD2-CE2 3.26Å; D436-Y535 WeakPolarHBondContact OD2-CE2 3.3Å; D436-Y535 VanDerWaalsContact OD2-CZ 3.3Å; D436-Y535 PolarHBondContact OD2-OH 2.95Å
536	Y	98.3	Very high	87.2	Confident	13 Å²	13	55.6 Å²	55.6	5%	0.051	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	166	-178.4	79.1	-75.6	0	0	0	111.9	D405 S406 I408 V418 E432 V538	D405-Y536 WeakPolarHBondContact O-CE1 3.49Å; D405-Y536 PolarHBondContact O-OH 3.4Å; S406-Y536 WeakPolarHBondContact CB-O 3.39Å; S406-Y536 VanDerWaalsContact O-CD1 3.29Å; S406-Y536 WeakPolarHBondContact O-CD1 3.2Å; S406-Y536 PolarHBondContact O-N 3.36Å; I408-Y536 HydrophobicContact CD1-CD1 4.43Å; I408-Y536 HydrophobicContact CG1-CD1 4.38Å; I408-Y536 HydrophobicContact CG2-CE1 3.94Å; V418-Y536 HydrophobicContact CG1-CE2 3.89Å; V418-Y536 HydrophobicContact CG2-CE2 4.29Å; E432-Y536 CarbonylContact O-C 3.44Å; E432-Y536 VanDerWaalsContact O-CA 3.25Å; E432-Y536 WeakPolarHBondContact O-CA 3.4Å; Y536-V538 HydrophobicContact CD2-CG1 4.45Å; Y536-V538 HydrophobicContact CE2-CG2 4.42Å
537	R	96.9	Very high	87.8	Confident	83 Å²	83	57.8 Å²	57.8	31%	0.313	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	138.2	169.4	-175.3	169.4	69.8	159.8	-0.3	109.4	F396 I400 W431 E432 Y539	F396-R537 HydrophobicContact CE2-CB 4.43Å; I400-R537 HydrophobicContact CD1-CB 3.93Å; I400-R537 HydrophobicContact CD1-CG 4.49Å; W431-R537 CarbonylContact C-O 3.57Å; W431-R537 WeakPolarHBondContact CA-O 3.34Å; E432-R537 VanDerWaalsContact CD-NH2 3.27Å; E432-R537 PolarHBondContact N-O 3.24Å; E432-R537 PolarHBondContact O-N 3.02Å; E432-R537 IonicContact OE1-CZ 3.5Å; E432-R537 IonicContact OE1-NH2 2.63Å; E432-R537 PolarHBondContact OE1-NH2 3.18Å; E432-R537 IonicContact OE2-CZ 2.7Å; E432-R537 IonicContact OE2-NE 2.68Å; E432-R537 PolarHBondContact OE2-NE 3.04Å; E432-R537 IonicContact OE2-NH2 3.76Å; E432-R537 PolarHBondContact OE2-NH2 3.28Å; R537-Y539 HydrophobicContact CG-CD1 4.34Å
538	V	96.7	Very high	88.9	Confident	33 Å²	33	60.5 Å²	60.5	20%	0.2	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	146.1	171.7	-69.3	0	0	0	0	110.6	V420 L429 F430 W431 V456 L520 Y536	V420-V538 HydrophobicContact CG1-CG2 4.39Å; V420-V538 HydrophobicContact CG2-CB 4.45Å; V420-V538 HydrophobicContact CG2-CG1 4.27Å; V420-V538 HydrophobicContact CG2-CG2 4.04Å; L429-V538 HydrophobicContact CD1-CB 4.32Å; F430-V538 WeakPolarHBondContact O-CA 3.49Å; W431-V538 HydrophobicContact CB-CG1 4.1Å; V456-V538 HydrophobicContact CG2-CG2 4.46Å; L520-V538 HydrophobicContact CD2-CG1 3.63Å; Y536-V538 HydrophobicContact CD2-CG1 4.45Å; Y536-V538 HydrophobicContact CE2-CG2 4.42Å
539	Y	95.4	Very high	91.6	Very high	92 Å²	92	61.7 Å²	61.7	36%	0.361	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	159	175.5	57.3	-76	0	0	0	109.9	F430 E432 R537	F430-Y539 HydrophobicContact CB-CD1 4.08Å; F430-Y539 HydrophobicContact CB-CD2 4.02Å; F430-Y539 HydrophobicContact CB-CE1 3.63Å; F430-Y539 HydrophobicContact CB-CE2 3.59Å; F430-Y539 HydrophobicContact CB-CG 4.25Å; F430-Y539 HydrophobicContact CD1-CE2 4.35Å; F430-Y539 HydrophobicContact CD2-CE2 4.24Å; F430-Y539 HydrophobicContact CG-CD2 4.49Å; F430-Y539 AromaticContact CG-CE2 3.82Å; F430-Y539 HydrophobicContact CG-CE2 3.82Å; F430-Y539 AromaticContact CG-CZ 3.88Å; F430-Y539 PolarHBondContact N-O 3.11Å; F430-Y539 PolarHBondContact O-N 3.28Å; F430-Y539 VanDerWaalsContact O-N 3.1Å; E432-Y539 WeakPolarHBondContact OE2-CE1 3.28Å; R537-Y539 HydrophobicContact CG-CD1 4.34Å
540	Y	95.5	Very high	93.9	Very high	98 Å²	98	62.3 Å²	62.3	38%	0.384	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	162	174.3	66.1	-95.4	0	0	0	111.5	H423 Y428 Y512	H423-Y540 HydrophobicContact CB-CD1 3.68Å; H423-Y540 HydrophobicContact CB-CD2 4.26Å; H423-Y540 HydrophobicContact CB-CE1 3.67Å; H423-Y540 HydrophobicContact CB-CE2 4.28Å; H423-Y540 HydrophobicContact CB-CG 4Å; H423-Y540 AromaticContact CD2-CE1 3.78Å; H423-Y540 AromaticContact CD2-CZ 3.89Å; H423-Y540 AromaticContact CE1-CZ 3.59Å; H423-Y540 PolarHBondContact CE1-OH 3.3Å; H423-Y540 AromaticContact CG-CE1 3.49Å; H423-Y540 VanDerWaalsContact CG-CE1 3.49Å; H423-Y540 AromaticContact CG-CE2 3.98Å; H423-Y540 AromaticContact CG-CZ 3.47Å; H423-Y540 VanDerWaalsContact CG-CZ 3.47Å; H423-Y540 AromaticContact ND1-CE1 3.82Å; H423-Y540 AromaticContact ND1-CE2 3.52Å; H423-Y540 AromaticContact ND1-CZ 3.27Å; H423-Y540 VanDerWaalsContact ND1-CZ 3.27Å; H423-Y540 PolarHBondContact ND1-OH 2.96Å; H423-Y540 AromaticContact NE2-CZ 3.95Å; H423-Y540 PolarHBondContact NE2-OH 3.41Å; Y428-Y540 WeakPolarHBondContact O-CA 3.29Å; Y428-Y540 WeakPolarHBondContact O-CB 3.46Å; Y512-Y540 WeakPolarHBondContact OH-CB 3.24Å
541	T	93.9	Very high	95.4	Very high	48 Å²	48	59.4 Å²	59.4	29%	0.294	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	163.8	167.3	62.6	0	0	0	0	110.6	G426 S427 Y428 F430	G426-T541 CarbonylContact C-O 3.56Å; G426-T541 WeakPolarHBondContact CA-O 3.42Å; S427-T541 PolarHBondContact N-O 3Å; S427-T541 PolarHBondContact OG-O 2.98Å; Y428-T541 PolarHBondContact O-N 2.99Å; F430-T541 HydrophobicContact CD2-CG2 3.88Å; F430-T541 HydrophobicContact CE2-CG2 3.64Å; F430-T541 HydrophobicContact CZ-CG2 4.48Å
542	R	88.9	Confident	95.9	Very high	211 Å²	211	58.4 Å²	58.4	80%	0.796	25%	0.254	S	S	*	.			trans	-91.6	0	168.7	-51.7	-158.9	179.4	179.8	-2.9	110.1	E425 S427	E425-R542 WeakPolarHBondContact O-CG 3.38Å; E425-R542 IonicContact OE1-CZ 3.37Å; E425-R542 IonicContact OE1-NH1 3.71Å; E425-R542 IonicContact OE1-NH2 3.76Å; E425-R542 PolarHBondContact OE1-NH2 3.29Å; E425-R542 IonicContact OE2-CZ 3.58Å; E425-R542 IonicContact OE2-NE 3.57Å; E425-R542 IonicContact OE2-NH2 2.91Å; E425-R542 PolarHBondContact OE2-NH2 2.84Å; S427-R542 WeakPolarHBondContact CB-OXT 2.92Å; S427-R542 PolarHBondContact OG-OXT 3.1Å

Retrieved 542 of 542 residues in 211.3 ms (Link to these results)

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