A0A3Q0KS05_SCHMA Loading...

Afg3-like protein 2 (M41 family)

AlphaFold DB , UniProt , Accession A0A3Q0KS05, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 733 aa.

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(Predicted Aligned Error values between residue pairs)

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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	34.5	Very low	29.6	Very low	222 Å²	222	168.7 Å²	168.7	100%	1.094	85%	0.847	S	S	*	*				0	99.2	0	-79.3	-179.9	171.7	0	0	109.2
2	I	32.6	Very low	30.1	Very low	169 Å²	169	170.3 Å²	170.3	87%	0.867	84%	0.844	S	S	*	*			trans	-139.4	122.9	159.6	-59.2	-178	0	0	0	105.4
3	R	26.7	Very low	30.2	Very low	241 Å²	241	169.2 Å²	169.2	91%	0.909	84%	0.843	S	S	*	*			trans	-94.5	130.4	177.6	-92.9	-177.9	169	-179.9	-4.2	108.9
4	F	30.1	Very low	30.3	Very low	211 Å²	211	172.1 Å²	172.1	93%	0.925	85%	0.849	S	S	*	*			trans	-66.2	145.3	158.3	-81.6	-95.6	0	0	0	110
5	A	29.4	Very low	30.3	Very low	83 Å²	83	172.3 Å²	172.3	69%	0.686	84%	0.843	S	S	*	*			trans	-139.5	134.6	167.7	0	0	0	0	0	109.4
6	P	31.9	Very low	30.3	Very low	127 Å²	127	167.8 Å²	167.8	83%	0.825	83%	0.834	S	S	*	*			trans	-124.8	113.3	152	30.7	-16.5	0	0	0	110.7
7	L	29.5	Very low	30.4	Very low	143 Å²	143	167.2 Å²	167.2	75%	0.749	83%	0.834	S	S	*	*			trans	-90.2	153.5	152.3	-75.7	81.3	0	0	0	106.7
8	W	28.5	Very low	30.6	Very low	228 Å²	228	167.2 Å²	167.2	86%	0.864	84%	0.836	S	S	*	*			cis	-158.5	157.6	-0.5	-127.4	35.1	0	0	0	107.9
9	W	26.5	Very low	30.6	Very low	260 Å²	260	163.9 Å²	163.9	99%	0.985	83%	0.83	S	S	*	*			trans	-138.7	134.1	163.9	-137.4	63.2	0	0	0	109.6
10	G	26	Very low	30.6	Very low	63 Å²	63	166.9 Å²	166.9	65%	0.649	83%	0.831	S	S	*	*			trans	-154.5	156.7	170.3	0	0	0	0	0	107.5
11	S	29.9	Very low	30.6	Very low	109 Å²	109	169.1 Å²	169.1	76%	0.762	83%	0.83	S	S	*	*			cis	-163.8	171.6	14.1	174	0	0	0	0	109.3
12	K	35.6	Very low	30.5	Very low	187 Å²	187	163.6 Å²	163.6	81%	0.813	81%	0.814	S	S	*	*			trans	114	99.1	157.1	-61.5	175.9	179.5	178.6	0	118.8
13	N	31.3	Very low	30.5	Very low	156 Å²	156	162.7 Å²	162.7	83%	0.834	81%	0.81	S	S	*	*				39.7	125.3	122.6	-56.8	-12.7	0	0	0	122.1
14	F	31.5	Very low	30.7	Very low	210 Å²	210	160.7 Å²	160.7	92%	0.921	81%	0.808	S	S	*	*			trans	-148.7	159.8	130.7	-150.8	-102.7	0	0	0	112.5
15	K	30.2	Very low	30.7	Very low	175 Å²	175	157.7 Å²	157.7	76%	0.761	80%	0.801	S	S	*	*			trans	-110.6	155.1	-170.4	-78.1	-179.2	172.3	178.2	0	113.7
16	S	31.3	Very low	30.7	Very low	100 Å²	100	161 Å²	161	70%	0.699	81%	0.805	S	S	*	*			trans	54.9	124.4	143.7	62.3	0	0	0	0	121.4
17	L	31.1	Very low	30.6	Very low	158 Å²	158	160.6 Å²	160.6	83%	0.827	81%	0.806	S	S	*	*				-178.8	162.6	105.5	-100	159.2	0	0	0	113.3
18	L	34.2	Very low	30.4	Very low	168 Å²	168	159.1 Å²	159.1	88%	0.88	81%	0.808	S	S	*	*			trans	69.3	105.7	163.4	-75.4	148	0	0	0	119.7
19	S	30.1	Very low	30.6	Very low	104 Å²	104	154.2 Å²	154.2	73%	0.727	81%	0.808	S	S	*	*			trans	-83.3	146.1	163.9	55.2	0	0	0	0	112.6
20	W	30.7	Very low	30.5	Very low	223 Å²	223	151.3 Å²	151.3	85%	0.845	80%	0.803	S	S	*	*			trans	-159	121.7	138.5	-122.6	62.4	0	0	0	112.2
21	R	30.7	Very low	30.6	Very low	214 Å²	214	157.8 Å²	157.8	81%	0.808	81%	0.813	S	S	*	*			trans	33.3	123	156	-71.5	177.5	160.5	177.2	-6.5	122.6
22	S	33.1	Very low	30.5	Very low	107 Å²	107	160.3 Å²	160.3	75%	0.748	82%	0.817	S	S	*	*				121.6	93.2	127.8	-157.3	0	0	0	0	119.1
23	N	31.7	Very low	29.9	Very low	149 Å²	149	163 Å²	163	80%	0.797	82%	0.822	S	S	*	*			trans	42.4	100.7	137.5	-63.5	-10.5	0	0	0	121.8
24	K	31.8	Very low	29.7	Very low	200 Å²	200	163.5 Å²	163.5	87%	0.87	82%	0.824	S	S	*	*				176.7	117	102.4	-99.5	178.9	176.7	177.2	0	115.2
25	L	30.4	Very low	29.6	Very low	148 Å²	148	159.4 Å²	159.4	78%	0.775	82%	0.819	S	S	*	*			trans	19.1	119.4	143.7	-63.9	158.5	0	0	0	122.5
26	I	28.2	Very low	29.6	Very low	151 Å²	151	156.7 Å²	156.7	77%	0.774	82%	0.821	S	S	*	*				53.4	105.3	123.7	-52.9	174.9	0	0	0	119.4
27	S	30.1	Very low	29.2	Very low	119 Å²	119	157.9 Å²	157.9	83%	0.832	83%	0.828	S	S	*	*				175.3	143.5	96.2	59	0	0	0	0	111.8
28	S	26.6	Very low	29	Very low	113 Å²	113	160.4 Å²	160.4	79%	0.79	83%	0.833	S	S	*	*			trans	-106.6	138.2	177	55.4	0	0	0	0	111.4
29	S	30.9	Very low	28.6	Very low	125 Å²	125	162.5 Å²	162.5	87%	0.874	83%	0.829	S	S	*	*			trans	-154.2	120.5	160.2	-83.5	0	0	0	0	112.3
30	F	25.5	Very low	28.5	Very low	198 Å²	198	164.4 Å²	164.4	87%	0.868	84%	0.836	S	S	*	*			trans	-69.4	139.5	174.7	-128.5	-109.7	0	0	0	110.4
31	K	27.8	Very low	28.6	Very low	200 Å²	200	161.9 Å²	161.9	87%	0.87	83%	0.834	S	S	*	*			trans	-143.2	124.2	164.4	-108.4	178.9	-180	176.9	0	110.6
32	L	27.3	Very low	28.6	Very low	161 Å²	161	159.3 Å²	159.3	84%	0.843	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-64.9	142.1	174.7	-82	82.4	0	0	0	110.8
33	R	23.5	Very low	28.5	Very low	243 Å²	243	160.8 Å²	160.8	92%	0.917	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-88.9	129.2	164	-79.4	-179.2	171.4	175.6	-2.7	109.9
34	L	27.2	Very low	28.6	Very low	167 Å²	167	159.4 Å²	159.4	87%	0.874	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-99.3	136.1	151.5	-78.1	162.8	0	0	0	107.3
35	P	29	Very low	28.5	Very low	125 Å²	125	153.1 Å²	153.1	81%	0.812	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-81.5	121.3	-177	30.9	-32.1	0	0	0	111.6
36	S	30.1	Very low	28.6	Very low	117 Å²	117	156.2 Å²	156.2	82%	0.818	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-85.6	122.9	167.6	53.9	0	0	0	0	110.4
37	C	24.1	Very low	28.8	Very low	125 Å²	125	153.3 Å²	153.3	85%	0.845	83%	0.83	S	S	*	*			trans	-88.1	110.8	171.3	-169.3	0	0	0	0	109.9
38	F	26.9	Very low	29	Very low	211 Å²	211	152.9 Å²	152.9	93%	0.925	83%	0.827	S	S	*	*			trans	-169.9	131.7	152.1	-109.2	-72.4	0	0	0	108.8
39	R	25.5	Very low	29.4	Very low	213 Å²	213	158.8 Å²	158.8	80%	0.804	83%	0.832	S	S	*	*			trans	-135.2	118.9	178.7	-169.2	-176.8	-164.9	175.3	4.5	109.7
40	T	27.4	Very low	29.6	Very low	143 Å²	143	159.2 Å²	159.2	88%	0.877	83%	0.832	S	S	*	*			trans	-117.2	135.5	162.6	37.7	0	0	0	0	107.5
41	Q	32.6	Very low	30.2	Very low	170 Å²	170	153.7 Å²	153.7	79%	0.794	83%	0.83	S	S	*	*			trans	-125.7	153.3	177.7	-161.7	172.5	-3.7	0	0	110.1
42	E	31.2	Very low	30.4	Very low	160 Å²	160	153.2 Å²	153.2	75%	0.748	83%	0.831	S	S	*	*			trans	-116.7	151.7	-153.9	-140.9	-169.3	128.4	0	0	113
43	N	31.5	Very low	30.8	Very low	138 Å²	138	150.3 Å²	150.3	74%	0.738	83%	0.825	S	S	*	*			trans	48.8	126	143.5	-83.2	-29	0	0	0	123.6
44	S	33	Very low	31.2	Very low	121 Å²	121	147.9 Å²	147.9	85%	0.846	82%	0.821	S	S	*	*				-154	145.6	126.9	62.1	0	0	0	0	108.6
45	G	29.9	Very low	31.3	Very low	67 Å²	67	146.6 Å²	146.6	69%	0.691	82%	0.815	S	S	*	*			cis	148.6	129.6	-7.4	0	0	0	0	0	111.2
46	K	31.6	Very low	31.4	Very low	214 Å²	214	146.7 Å²	146.7	93%	0.93	81%	0.809	S	S	*	*			trans	-174.8	154.4	164.4	-111.2	161.1	-173.5	177.4	0	115.6
47	A	33.5	Very low	31.4	Very low	89 Å²	89	148.7 Å²	148.7	74%	0.736	81%	0.805	S	S	*	*			trans	71.8	98.5	170.8	0	0	0	0	0	117.2
48	S	34.5	Very low	31.7	Very low	110 Å²	110	148.2 Å²	148.2	77%	0.769	80%	0.798	S	S	*	*				85.4	140.7	78.2	74.2	0	0	0	0	113.8
49	R	35.4	Very low	31.8	Very low	238 Å²	238	143.5 Å²	143.5	90%	0.898	79%	0.792	S	S	*	*			cis	-139.5	167.5	14.5	-68	177	169.3	165.3	-4.6	111.7
50	P	33.3	Very low	32.1	Very low	134 Å²	134	141 Å²	141	87%	0.87	79%	0.794	S	S	*	*			trans	-104.8	163.9	-178.6	39.4	-33.3	0	0	0	115.7
51	G	38.7	Very low	32.3	Very low	81 Å²	81	141.7 Å²	141.7	84%	0.835	79%	0.791	S	S	*	*			trans	-155.6	141.4	173.5	0	0	0	0	0	112.6
52	E	33.3	Very low	32.4	Very low	190 Å²	190	139.3 Å²	139.3	89%	0.888	79%	0.79	S	S	*	*			trans	-68.2	151.6	-156	-97	171.8	117.3	0	0	122.3
53	S	34.3	Very low	32.3	Very low	101 Å²	101	140.4 Å²	140.4	71%	0.706	79%	0.793	S	S	*	*			trans	100.1	109.9	130.2	71.5	0	0	0	0	123.4
54	K	33.2	Very low	32	Very low	191 Å²	191	141.8 Å²	141.8	83%	0.83	80%	0.799	S	S	*	*				68.6	113.4	129.9	-70.2	-177	177.9	174.7	0	122.9
55	N	29.2	Very low	31.7	Very low	141 Å²	141	142 Å²	142	75%	0.754	79%	0.787	S	S	*	*			trans	87.6	130.6	130.2	-76.9	30.1	0	0	0	122.1
56	D	29.6	Very low	31.5	Very low	127 Å²	127	145.5 Å²	145.5	68%	0.679	79%	0.789	S	S	*	*			trans	105.8	128.5	142.4	-87.5	30.8	0	0	0	121.4
57	Q	31.4	Very low	31.1	Very low	159 Å²	159	144.9 Å²	144.9	74%	0.743	78%	0.781	S	S	*	*			trans	82.7	101.2	151	-66.5	167.3	39.7	0	0	121.1
58	T	30.7	Very low	30.8	Very low	115 Å²	115	149 Å²	149	71%	0.706	78%	0.782	S	S	*	*			trans	63.9	111.3	130.9	57.1	0	0	0	0	121.4
59	S	29	Very low	30.5	Very low	112 Å²	112	148.8 Å²	148.8	78%	0.783	78%	0.78	S	S	*	*			trans	31.4	106.7	138.9	62.3	0	0	0	0	119.5
60	N	31.1	Very low	30.3	Very low	161 Å²	161	146.2 Å²	146.2	86%	0.861	78%	0.776	S	S	*	*			trans	-127.5	109	154.7	-90.4	-54.5	0	0	0	110.7
61	I	32.4	Very low	30.3	Very low	156 Å²	156	144.5 Å²	144.5	80%	0.8	77%	0.767	S	S	*	*			trans	-76	128.4	164	-62.6	171.7	0	0	0	106.6	K63	I61-K63 PolarHBondContact O-N 2.93Å
62	P	32.9	Very low	30	Very low	121 Å²	121	152.4 Å²	152.4	79%	0.786	77%	0.772	S	S	*	*			trans	-66.9	103.3	179.2	26.5	-33.3	0	0	0	110.3	L64	P62-L64 PolarHBondContact O-N 3.23Å
63	K	29.4	Very low	30.3	Very low	183 Å²	183	150.1 Å²	150.1	80%	0.796	77%	0.766	S	S	*	*			trans	-63	112.6	163.7	-84.7	-180	172.8	177.6	0	108.3	I61 E65	I61-K63 PolarHBondContact O-N 2.93Å; K63-E65 PolarHBondContact O-N 2.92Å
64	L	26.2	Very low	30.5	Very low	166 Å²	166	155.4 Å²	155.4	87%	0.869	78%	0.776	S	S	*	*			trans	-72.7	81.4	164.6	-163.2	83.1	0	0	0	108.6	P62 L66	P62-L64 PolarHBondContact O-N 3.23Å; L64-L66 PolarHBondContact O-N 3.15Å; L64-L66 VanDerWaalsContact O-N 3.15Å
65	E	26.6	Very low	31	Very low	127 Å²	127	153 Å²	153	59%	0.593	77%	0.769	S	S	*	*			trans	-65.9	111	167.8	-77.1	-156.3	161.3	0	0	109.2	K63 R67	K63-E65 PolarHBondContact O-N 2.92Å; E65-R67 HydrophobicContact CB-CG 4.35Å; E65-R67 PolarHBondContact O-N 3.17Å; E65-R67 IonicContact OE2-NE 3.23Å; E65-R67 PolarHBondContact OE2-NE 2.93Å
66	L	25.1	Very low	32.1	Very low	139 Å²	139	152 Å²	152	73%	0.728	77%	0.771	S	S	*	*			trans	-69.4	72	159.8	-91.2	161.6	0	0	0	109.3	L64 F68	L64-L66 PolarHBondContact O-N 3.15Å; L64-L66 VanDerWaalsContact O-N 3.15Å; L66-F68 HydrophobicContact CB-CE2 4.47Å; L66-F68 PolarHBondContact O-N 2.87Å
67	R	23.8	Very low	32.6	Very low	202 Å²	202	153 Å²	153	76%	0.762	78%	0.776	S	S	*	*			trans	-68.2	99.6	164.3	-84.2	-169.8	177.5	-153.9	-3.8	108.6	E65 S69	E65-R67 HydrophobicContact CB-CG 4.35Å; E65-R67 PolarHBondContact O-N 3.17Å; E65-R67 IonicContact OE2-NE 3.23Å; E65-R67 PolarHBondContact OE2-NE 2.93Å; R67-S69 PolarHBondContact O-N 3.04Å
68	F	27.3	Very low	33.3	Very low	175 Å²	175	148.2 Å²	148.2	77%	0.768	76%	0.759	S	S	*	*			trans	-67.3	80.1	157.9	-73.2	-84.8	0	0	0	108.9	L66 F70	L66-F68 HydrophobicContact CB-CE2 4.47Å; L66-F68 PolarHBondContact O-N 2.87Å; F68-F70 VanDerWaalsContact C-N 3.34Å; F68-F70 PolarHBondContact O-N 3Å
69	S	28.8	Very low	34.1	Very low	105 Å²	105	149.5 Å²	149.5	73%	0.734	77%	0.769	S	S	*	*			trans	-70	95.7	165	50.5	0	0	0	0	108.3	R67 S71	R67-S69 PolarHBondContact O-N 3.04Å; S69-S71 VanDerWaalsContact C-N 3.26Å; S69-S71 PolarHBondContact O-N 2.83Å
70	F	30.9	Very low	35.4	Very low	185 Å²	185	146.7 Å²	146.7	81%	0.811	76%	0.758	S	S	*	*			trans	-60.6	96.7	160.1	-103.6	-92.4	0	0	0	107.7	F68 R72	F68-F70 VanDerWaalsContact C-N 3.34Å; F68-F70 PolarHBondContact O-N 3Å; F70-R72 PolarHBondContact O-N 2.88Å
71	S	33.2	Very low	36.3	Very low	97 Å²	97	142.7 Å²	142.7	68%	0.678	76%	0.755	S	S	*	*			trans	-58.8	124	173.7	-174.1	0	0	0	0	108.2	S69 N73	S69-S71 VanDerWaalsContact C-N 3.26Å; S69-S71 PolarHBondContact O-N 2.83Å; S71-N73 PolarHBondContact O-N 2.83Å
72	R	31.9	Very low	37.5	Very low	248 Å²	248	142.8 Å²	142.8	94%	0.936	75%	0.745	S	S	*	*			trans	-71.3	65.1	176.6	-77.6	-179.1	169.6	168.3	-4.6	110.9	F70	F70-R72 PolarHBondContact O-N 2.88Å
73	N	39.8	Very low	39.4	Very low	141 Å²	141	141.1 Å²	141.1	75%	0.754	73%	0.734	S	S	*	*			trans	-79.8	128.5	151.6	-90.4	-6.8	0	0	0	107.7	S71 M75	S71-N73 PolarHBondContact O-N 2.83Å; N73-M75 PolarHBondContact O-N 2.97Å
74	K	38.4	Very low	41.4	Very low	212 Å²	212	138.9 Å²	138.9	92%	0.922	73%	0.73	S	S	*	*			trans	-57.9	99.3	177.6	-69.3	176.3	174.7	180	0	109.5
75	M	43	Very low	43.6	Very low	141 Å²	141	134 Å²	134	70%	0.695	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-73.3	142.9	157.7	-71.8	-175.2	171.7	0	0	107.6	N73 D77	N73-M75 PolarHBondContact O-N 2.97Å; M75-D77 PolarHBondContact O-N 3.15Å
76	P	51.6	Low	46	Very low	121 Å²	121	129.3 Å²	129.3	79%	0.786	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-62.5	127.9	168.6	27.4	-32.6	0	0	0	108.4
77	D	41.1	Very low	48.4	Very low	148 Å²	148	131 Å²	131	79%	0.791	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-59.9	135.1	175.8	-66.2	-59.1	0	0	0	109.6	M75	M75-D77 PolarHBondContact O-N 3.15Å
78	P	46.4	Very low	50.9	Low	58 Å²	58	124.1 Å²	124.1	38%	0.377	68%	0.678	S	S	.	*	P	Polyproline II helix	trans	-62.7	149.3	174	27.6	-33.9	0	0	0	110.1	G80	P78-G80 CarbonylContact O-C 3.59Å; P78-G80 PolarHBondContact O-N 2.96Å
79	P	47.2	Very low	53.4	Low	141 Å²	141	121.1 Å²	121.1	92%	0.916	67%	0.669	S	S	*	*	S	Bend	trans	-62.2	113.3	175.2	25.8	-33.2	0	0	0	109.7
80	G	56.8	Low	56	Low	54 Å²	54	120.4 Å²	120.4	56%	0.557	66%	0.657	S	S	*	*	S	Bend	trans	98.2	105.5	-167.2	0	0	0	0	0	110.8	P78 W82	P78-G80 CarbonylContact O-C 3.59Å; P78-G80 PolarHBondContact O-N 2.96Å; G80-W82 PolarHBondContact O-N 3.45Å
81	G	49	Very low	58.3	Low	77 Å²	77	113.4 Å²	113.4	79%	0.794	64%	0.637	S	S	*	*	S	Bend	trans	-71.2	46.8	-165	0	0	0	0	0	117
82	W	57	Low	60.6	Low	158 Å²	158	113.1 Å²	113.1	60%	0.598	63%	0.631	S	S	*	*			trans	-99.6	120.9	171.6	-75.9	43.8	0	0	0	108.5	G80 L90	G80-W82 PolarHBondContact O-N 3.45Å; W82-L90 HydrophobicContact CE3-CD1 4.46Å; W82-L90 HydrophobicContact CZ3-CD1 4.04Å
83	P	72.7	Confident	63	Low	86 Å²	86	105.4 Å²	105.4	56%	0.558	61%	0.611	S	S	*	*			trans	-61.4	152.8	-179.9	24.4	-32.4	0	0	0	111	A85 S86	P83-A85 PolarHBondContact O-N 3.44Å; P83-S86 WeakPolarHBondContact CD-OG 3.35Å; P83-S86 WeakPolarHBondContact CG-OG 3.34Å; P83-S86 VanDerWaalsContact O-CB 3.26Å; P83-S86 WeakPolarHBondContact O-CB 3.47Å; P83-S86 PolarHBondContact O-N 2.94Å; P83-S86 PolarHBondContact O-OG 2.9Å
84	L	71.9	Confident	64.9	Low	135 Å²	135	100.2 Å²	100.2	71%	0.707	59%	0.591	S	S	*	*	H	α-helix	trans	-55.5	-27.7	-175.1	-142.8	156.6	0	0	0	113	S86 W87 A88	L84-S86 VanDerWaalsContact C-N 3.32Å; L84-S86 PolarHBondContact O-N 2.75Å; L84-W87 PolarHBondContact O-N 2.74Å; L84-A88 PolarHBondContact O-N 2.96Å
85	A	73.7	Confident	66.9	Low	63 Å²	63	96 Å²	96	52%	0.521	58%	0.578	S	S	.	*	H	α-helix	trans	-60	-34.8	171.7	0	0	0	0	0	113.9	P83 A88 I89	P83-A85 PolarHBondContact O-N 3.44Å; A85-A88 WeakPolarHBondContact O-CB 3.47Å; A85-A88 PolarHBondContact O-N 3.28Å; A85-I89 WeakPolarHBondContact O-CG1 3.15Å; A85-I89 PolarHBondContact O-N 2.98Å
86	S	75.6	Confident	68.5	Low	30 Å²	30	93.4 Å²	93.4	21%	0.21	57%	0.57	C	S	.	*	H	α-helix	trans	-65.8	-40.7	178.7	-50.8	0	0	0	0	111.9	P83 L84 I89 L90	P83-S86 WeakPolarHBondContact CD-OG 3.35Å; P83-S86 WeakPolarHBondContact CG-OG 3.34Å; P83-S86 VanDerWaalsContact O-CB 3.26Å; P83-S86 WeakPolarHBondContact O-CB 3.47Å; P83-S86 PolarHBondContact O-N 2.94Å; P83-S86 PolarHBondContact O-OG 2.9Å; L84-S86 VanDerWaalsContact C-N 3.32Å; L84-S86 PolarHBondContact O-N 2.75Å; S86-I89 PolarHBondContact O-N 3Å; S86-L90 PolarHBondContact O-N 3.45Å
87	W	75.1	Confident	69.9	Low	173 Å²	173	96 Å²	96	66%	0.655	56%	0.564	S	S	*	*	H	α-helix	trans	-65.3	-38.3	173.6	-80.2	102.3	0	0	0	112.1	L84 L90 G91	L84-W87 PolarHBondContact O-N 2.74Å; W87-L90 PolarHBondContact O-N 2.91Å; W87-G91 PolarHBondContact O-N 3.18Å
88	A	76.7	Confident	71.7	Confident	58 Å²	58	92.4 Å²	92.4	48%	0.479	55%	0.547	S	S	.	.	H	α-helix	trans	-63.6	-42.1	174.2	0	0	0	0	0	112	L84 A85 G91 V92	L84-A88 PolarHBondContact O-N 2.96Å; A85-A88 WeakPolarHBondContact O-CB 3.47Å; A85-A88 PolarHBondContact O-N 3.28Å; A88-G91 PolarHBondContact O-N 3.36Å; A88-V92 WeakPolarHBondContact O-CG2 3.39Å; A88-V92 PolarHBondContact O-N 3.46Å
89	I	80.5	Confident	73.1	Confident	113 Å²	113	92.3 Å²	92.3	58%	0.579	55%	0.552	S	S	*	*	H	α-helix	trans	-63.6	-47.8	176.3	-67.1	163.2	0	0	0	110.8	A85 S86 G91 V92 V93	A85-I89 WeakPolarHBondContact O-CG1 3.15Å; A85-I89 PolarHBondContact O-N 2.98Å; S86-I89 PolarHBondContact O-N 3Å; I89-G91 VanDerWaalsContact C-N 3.3Å; I89-G91 PolarHBondContact O-N 3.44Å; I89-V92 PolarHBondContact O-N 2.91Å; I89-V93 HydrophobicContact CG2-CG2 4.4Å; I89-V93 WeakPolarHBondContact O-CG2 3.42Å; I89-V93 PolarHBondContact O-N 3.29Å
90	L	82.3	Confident	74.6	Confident	90 Å²	90	94 Å²	94	47%	0.471	54%	0.541	S	S	.	.	H	α-helix	trans	-58.5	-40.9	175.2	-85.5	166.4	0	0	0	112.3	W82 S86 W87 V93 G94	W82-L90 HydrophobicContact CE3-CD1 4.46Å; W82-L90 HydrophobicContact CZ3-CD1 4.04Å; S86-L90 PolarHBondContact O-N 3.45Å; W87-L90 PolarHBondContact O-N 2.91Å; L90-V93 PolarHBondContact O-N 3.15Å; L90-G94 PolarHBondContact O-N 2.62Å
91	G	79.6	Confident	75.5	Confident	38 Å²	38	95.8 Å²	95.8	39%	0.392	54%	0.535	S	S	.	.	H	α-helix	trans	-62.3	-42.4	175.3	0	0	0	0	0	113.2	W87 A88 I89 L95	W87-G91 PolarHBondContact O-N 3.18Å; A88-G91 PolarHBondContact O-N 3.36Å; I89-G91 VanDerWaalsContact C-N 3.3Å; I89-G91 PolarHBondContact O-N 3.44Å; G91-L95 WeakPolarHBondContact O-CB 3.34Å; G91-L95 PolarHBondContact O-N 2.86Å
92	V	81.6	Confident	76.8	Confident	91 Å²	91	96.5 Å²	96.5	55%	0.552	52%	0.521	S	S	*	.	H	α-helix	trans	-68.2	-40.4	176.5	172.3	0	0	0	0	111.7	A88 I89 L95 T96	A88-V92 WeakPolarHBondContact O-CG2 3.39Å; A88-V92 PolarHBondContact O-N 3.46Å; I89-V92 PolarHBondContact O-N 2.91Å; V92-L95 PolarHBondContact O-N 2.9Å; V92-T96 WeakPolarHBondContact O-CB 3.44Å; V92-T96 PolarHBondContact O-N 3.1Å; V92-T96 PolarHBondContact O-OG1 3.4Å
93	V	83.4	Confident	77.5	Confident	85 Å²	85	97.1 Å²	97.1	52%	0.515	53%	0.528	S	S	.	.	H	α-helix	trans	-64.9	-43.8	175.2	173.1	0	0	0	0	111	I89 L90 T96 W97	I89-V93 HydrophobicContact CG2-CG2 4.4Å; I89-V93 WeakPolarHBondContact O-CG2 3.42Å; I89-V93 PolarHBondContact O-N 3.29Å; L90-V93 PolarHBondContact O-N 3.15Å; V93-T96 WeakPolarHBondContact CA-OG1 3.5Å; V93-T96 PolarHBondContact O-N 3.22Å; V93-T96 PolarHBondContact O-OG1 3.44Å; V93-T96 VanDerWaalsContact O-OG1 3.1Å; V93-W97 WeakPolarHBondContact O-CB 3.37Å; V93-W97 PolarHBondContact O-N 2.86Å
94	G	79.7	Confident	77.4	Confident	33 Å²	33	95.9 Å²	95.9	34%	0.34	52%	0.521	S	S	.	.	H	α-helix	trans	-60.9	-46.6	174.7	0	0	0	0	0	112.6	L90 W97 V98	L90-G94 PolarHBondContact O-N 2.62Å; G94-W97 PolarHBondContact O-N 3.42Å; G94-V98 WeakPolarHBondContact O-CB 3.27Å; G94-V98 WeakPolarHBondContact O-CG2 3.37Å; G94-V98 PolarHBondContact O-N 3.38Å
95	L	79.8	Confident	77.6	Confident	124 Å²	124	92.1 Å²	92.1	65%	0.649	50%	0.501	S	S	*	.	H	α-helix	trans	-63.9	-40.6	176.6	-91.7	164.3	0	0	0	112.9	G91 V92 A99	G91-L95 WeakPolarHBondContact O-CB 3.34Å; G91-L95 PolarHBondContact O-N 2.86Å; V92-L95 PolarHBondContact O-N 2.9Å; L95-A99 WeakPolarHBondContact O-CB 3.29Å; L95-A99 PolarHBondContact O-N 3.35Å
96	T	77.5	Confident	78	Confident	85 Å²	85	93.4 Å²	93.4	52%	0.521	49%	0.493	S	S	.	.	H	α-helix	trans	-70.3	-35.4	177.1	43.6	0	0	0	0	112.3	V92 V93 A99 Y100	V92-T96 WeakPolarHBondContact O-CB 3.44Å; V92-T96 PolarHBondContact O-N 3.1Å; V92-T96 PolarHBondContact O-OG1 3.4Å; V93-T96 WeakPolarHBondContact CA-OG1 3.5Å; V93-T96 PolarHBondContact O-N 3.22Å; V93-T96 PolarHBondContact O-OG1 3.44Å; V93-T96 VanDerWaalsContact O-OG1 3.1Å; T96-A99 PolarHBondContact O-N 2.98Å; T96-Y100 VanDerWaalsContact O-CB 3.27Å; T96-Y100 WeakPolarHBondContact O-CB 3.39Å; T96-Y100 PolarHBondContact O-N 2.91Å
97	W	79.7	Confident	78.3	Confident	175 Å²	175	95 Å²	95	66%	0.663	49%	0.494	S	S	*	.	H	α-helix	trans	-65.7	-46.2	172.6	-175.7	69.3	0	0	0	112.2	V93 G94 A99 Y100 H101	V93-W97 WeakPolarHBondContact O-CB 3.37Å; V93-W97 PolarHBondContact O-N 2.86Å; G94-W97 PolarHBondContact O-N 3.42Å; W97-A99 VanDerWaalsContact C-N 3.34Å; W97-A99 PolarHBondContact O-N 3.38Å; W97-Y100 PolarHBondContact O-N 2.73Å; W97-H101 WeakPolarHBondContact O-CB 3.46Å; W97-H101 PolarHBondContact O-N 2.9Å
98	V	79.1	Confident	78.9	Confident	73 Å²	73	92 Å²	92	44%	0.442	49%	0.486	S	S	.	.	H	α-helix	trans	-62.9	-40	174.9	171.2	0	0	0	0	111.3	G94 N102	G94-V98 WeakPolarHBondContact O-CB 3.27Å; G94-V98 WeakPolarHBondContact O-CG2 3.37Å; G94-V98 PolarHBondContact O-N 3.38Å; V98-N102 WeakPolarHBondContact O-CB 3.4Å; V98-N102 PolarHBondContact O-N 2.98Å; V98-N102 PolarHBondContact O-ND2 3.47Å
99	A	76	Confident	79.4	Confident	57 Å²	57	89.3 Å²	89.3	47%	0.471	46%	0.463	S	S	.	.	H	α-helix	trans	-64.3	-45.7	175.1	0	0	0	0	0	111.6	L95 T96 W97 N102 F103	L95-A99 WeakPolarHBondContact O-CB 3.29Å; L95-A99 PolarHBondContact O-N 3.35Å; T96-A99 PolarHBondContact O-N 2.98Å; W97-A99 VanDerWaalsContact C-N 3.34Å; W97-A99 PolarHBondContact O-N 3.38Å; A99-N102 PolarHBondContact O-N 3.38Å; A99-F103 WeakPolarHBondContact O-CB 3.37Å; A99-F103 PolarHBondContact O-N 2.75Å
100	Y	78	Confident	79.7	Confident	175 Å²	175	89.5 Å²	89.5	69%	0.686	47%	0.466	S	S	*	.	H	α-helix	trans	-61.3	-47	178.2	-174	-95.9	0	0	0	111.9	T96 W97 N102 F103 S104	T96-Y100 VanDerWaalsContact O-CB 3.27Å; T96-Y100 WeakPolarHBondContact O-CB 3.39Å; T96-Y100 PolarHBondContact O-N 2.91Å; W97-Y100 PolarHBondContact O-N 2.73Å; Y100-N102 VanDerWaalsContact C-N 3.34Å; Y100-N102 PolarHBondContact O-N 3.2Å; Y100-F103 PolarHBondContact O-N 2.99Å; Y100-S104 PolarHBondContact O-N 3.41Å; Y100-S104 PolarHBondContact O-OG 3.28Å
101	H	76.9	Confident	79.9	Confident	92 Å²	92	88.8 Å²	88.8	43%	0.426	46%	0.457	S	S	.	.	H	α-helix	trans	-65.9	-33.8	177.9	-167.1	-52.7	0	0	0	112.7	W97 S104	W97-H101 WeakPolarHBondContact O-CB 3.46Å; W97-H101 PolarHBondContact O-N 2.9Å; H101-S104 PolarHBondContact O-OG 3.23Å
102	N	75.2	Confident	80.3	Confident	93 Å²	93	94.3 Å²	94.3	50%	0.497	47%	0.47	S	S	.	.	H	α-helix	trans	-70.4	-42.8	171.9	-84.9	-81.7	0	0	0	111.3	V98 A99 Y100 S104 M105 Y106	V98-N102 WeakPolarHBondContact O-CB 3.4Å; V98-N102 PolarHBondContact O-N 2.98Å; V98-N102 PolarHBondContact O-ND2 3.47Å; A99-N102 PolarHBondContact O-N 3.38Å; Y100-N102 VanDerWaalsContact C-N 3.34Å; Y100-N102 PolarHBondContact O-N 3.2Å; N102-S104 VanDerWaalsContact C-N 3.34Å; N102-S104 PolarHBondContact O-N 2.99Å; N102-M105 PolarHBondContact O-N 3.35Å; N102-Y106 VanDerWaalsContact O-CD2 3.28Å; N102-Y106 WeakPolarHBondContact O-CD2 3.26Å
103	F	71.7	Confident	80.5	Confident	170 Å²	170	92.2 Å²	92.2	75%	0.746	45%	0.454	S	S	*	.	H	α-helix	trans	-66	-36.3	-178.9	-139.2	-87.9	0	0	0	112.2	A99 Y100 M105 Y106	A99-F103 WeakPolarHBondContact O-CB 3.37Å; A99-F103 PolarHBondContact O-N 2.75Å; Y100-F103 PolarHBondContact O-N 2.99Å; F103-M105 PolarHBondContact O-N 3.24Å; F103-Y106 PolarHBondContact O-N 2.8Å; F103-Y106 VanDerWaalsContact O-N 3.15Å
104	S	71.6	Confident	80.7	Confident	61 Å²	61	88.2 Å²	88.2	43%	0.427	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-18.7	178.6	66.3	0	0	0	0	114.3	Y100 H101 N102	Y100-S104 PolarHBondContact O-N 3.41Å; Y100-S104 PolarHBondContact O-OG 3.28Å; H101-S104 PolarHBondContact O-OG 3.23Å; N102-S104 VanDerWaalsContact C-N 3.34Å; N102-S104 PolarHBondContact O-N 2.99Å
105	M	75.9	Confident	81	Confident	55 Å²	55	87 Å²	87	27%	0.271	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-17.2	176.7	-70.4	-70.7	177.1	0	0	113.5	N102 F103 K155 I157	N102-M105 PolarHBondContact O-N 3.35Å; F103-M105 PolarHBondContact O-N 3.24Å; M105-K155 HydrophobicContact CE-CB 4.42Å; M105-K155 HydrophobicContact SD-CB 3.92Å; M105-I157 HydrophobicContact CB-CD1 4.45Å; M105-I157 PolarHBondContact O-N 2.91Å
106	Y	81.2	Confident	81.2	Confident	90 Å²	90	85 Å²	85	35%	0.353	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	115.5	-178.5	-70.5	-94.6	0	0	0	111.3	N102 F103 W134 I157	N102-Y106 VanDerWaalsContact O-CD2 3.28Å; N102-Y106 WeakPolarHBondContact O-CD2 3.26Å; F103-Y106 PolarHBondContact O-N 2.8Å; F103-Y106 VanDerWaalsContact O-N 3.15Å; Y106-W134 HydrophobicContact CE1-CH2 4.41Å; Y106-I157 WeakPolarHBondContact CA-O 3.46Å; Y106-I157 HydrophobicContact CD1-CB 4.05Å; Y106-I157 HydrophobicContact CD1-CG2 3.7Å; Y106-I157 HydrophobicContact CE1-CB 4.23Å; Y106-I157 HydrophobicContact CE1-CD1 4.07Å; Y106-I157 HydrophobicContact CE1-CG2 3.69Å; Y106-I157 HydrophobicContact CE2-CD1 4.21Å
107	R	83.9	Confident	81.5	Confident	64 Å²	64	83.5 Å²	83.5	24%	0.242	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	118.6	170.8	178.2	166.8	166	-169.3	-4.5	109.5	E113 Y148 I157 Y158 W159	R107-E113 IonicContact CZ-OE1 3.78Å; R107-E113 IonicContact NH2-OE1 3.29Å; R107-E113 PolarHBondContact NH2-OE1 2.86Å; R107-Y148 VanDerWaalsContact NH2-CZ 3.31Å; R107-Y148 PolarHBondContact NH2-OH 2.86Å; R107-I157 PolarHBondContact N-O 2.88Å; R107-Y158 HydrophobicContact CB-CD1 4.18Å; R107-Y158 HydrophobicContact CB-CE1 4.33Å; R107-Y158 HydrophobicContact CG-CD1 4.28Å; R107-Y158 HydrophobicContact CG-CE1 4.32Å; R107-Y158 WeakPolarHBondContact O-CA 3.32Å; R107-W159 VanDerWaalsContact O-CD1 3.24Å; R107-W159 PolarHBondContact O-N 2.79Å; R107-W159 VanDerWaalsContact O-N 3.16Å
108	K	87.2	Confident	81.7	Confident	109 Å²	109	76 Å²	76	47%	0.474	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	135.9	169	-171.8	170.1	178.1	176.2	0	108.8	W159 E161	K108-W159 CarbonylContact C-O 3.47Å; K108-W159 WeakPolarHBondContact CA-O 3.47Å; K108-W159 HydrophobicContact CB-CZ2 4.07Å; K108-W159 HydrophobicContact CD-CH2 4.28Å; K108-W159 HydrophobicContact CD-CZ2 4.25Å; K108-W159 HydrophobicContact CG-CZ2 4.3Å; K108-E161 IonicContact NZ-OE2 2.74Å; K108-E161 PolarHBondContact NZ-OE2 3.23Å
109	V	87.2	Confident	82	Confident	2 Å²	2	73 Å²	73	1%	0.012	35%	0.348	C	S	.	.			trans	-119	145.3	175.7	-178.7	0	0	0	0	106.6	E113 F114 F118 I137 Y158 W159 F160	V109-E113 HydrophobicContact CG1-CB 3.65Å; V109-E113 HydrophobicContact CG1-CG 3.84Å; V109-F114 HydrophobicContact CG1-CB 4.12Å; V109-F118 HydrophobicContact CG1-CD2 4.38Å; V109-F118 HydrophobicContact CG1-CE2 3.91Å; V109-F118 HydrophobicContact CG2-CE2 4.21Å; V109-I137 HydrophobicContact CB-CD1 4.49Å; V109-Y158 HydrophobicContact CG2-CD1 3.54Å; V109-Y158 HydrophobicContact CG2-CG 4.16Å; V109-W159 PolarHBondContact N-O 2.75Å; V109-F160 VanDerWaalsContact O-CB 3.25Å; V109-F160 WeakPolarHBondContact O-CB 3.5Å
110	D	87.2	Confident	82.3	Confident	117 Å²	117	75.2 Å²	75.2	63%	0.626	35%	0.352	S	S	*	.			trans	-90	160.4	174.3	-154.5	-0.3	0	0	0	111.3	K112 E113 F114	D110-K112 VanDerWaalsContact C-N 3.26Å; D110-K112 PolarHBondContact O-N 2.84Å; D110-E113 PolarHBondContact O-N 3.3Å; D110-F114 PolarHBondContact O-N 3.13Å
111	W	86.6	Confident	82.4	Confident	76 Å²	76	72.6 Å²	72.6	29%	0.288	34%	0.344	S	S	.	.	H	α-helix	trans	-56.1	-39.3	-174.9	177.8	-101.6	0	0	0	113	F114 T115 F160 F168 L172 M175	W111-F114 AromaticContact CE3-CD1 3.99Å; W111-F114 HydrophobicContact CE3-CD1 3.99Å; W111-F114 HydrophobicContact CH2-CD1 4.43Å; W111-F114 HydrophobicContact CH2-CE1 4.33Å; W111-F114 AromaticContact CZ3-CD1 3.89Å; W111-F114 HydrophobicContact CZ3-CD1 3.89Å; W111-F114 HydrophobicContact CZ3-CE1 4.04Å; W111-F114 WeakPolarHBondContact O-CB 3.33Å; W111-F114 PolarHBondContact O-N 2.88Å; W111-T115 HydrophobicContact CZ2-CG2 4.42Å; W111-T115 PolarHBondContact O-N 3.31Å; W111-T115 PolarHBondContact O-OG1 3.15Å; W111-F160 HydrophobicContact CE3-CD2 4.28Å; W111-F160 AromaticContact CE3-CE2 3.71Å; W111-F160 HydrophobicContact CE3-CE2 3.71Å; W111-F160 HydrophobicContact CE3-CZ 4.02Å; W111-F160 AromaticContact CZ3-CE2 3.72Å; W111-F160 HydrophobicContact CZ3-CE2 3.72Å; W111-F160 AromaticContact CZ3-CZ 3.77Å; W111-F160 HydrophobicContact CZ3-CZ 3.77Å; W111-F168 HydrophobicContact CH2-CD2 4.18Å; W111-F168 HydrophobicContact CH2-CE2 4.21Å; W111-F168 AromaticContact CZ3-CD2 3.8Å; W111-F168 HydrophobicContact CZ3-CD2 3.8Å; W111-F168 AromaticContact CZ3-CE2 3.82Å; W111-F168 HydrophobicContact CZ3-CE2 3.82Å; W111-L172 HydrophobicContact CH2-CB 4.31Å; W111-L172 HydrophobicContact CH2-CD1 4.28Å; W111-M175 HydrophobicContact CZ2-CG 4.44Å
112	K	87.3	Confident	82.6	Confident	154 Å²	154	70.3 Å²	70.3	67%	0.67	35%	0.345	S	S	*	.	H	α-helix	trans	-66.6	-42.3	173.1	-85.1	-173.8	163.4	-174	0	113.4	D110 F114 T115 D116	D110-K112 VanDerWaalsContact C-N 3.26Å; D110-K112 PolarHBondContact O-N 2.84Å; K112-F114 PolarHBondContact O-N 3.16Å; K112-T115 WeakPolarHBondContact CA-OG1 3.49Å; K112-T115 PolarHBondContact O-N 3.02Å; K112-T115 PolarHBondContact O-OG1 3.48Å; K112-D116 VanDerWaalsContact O-CB 3.29Å; K112-D116 WeakPolarHBondContact O-CB 3.42Å; K112-D116 PolarHBondContact O-N 3.38Å
113	E	85.4	Confident	82.9	Confident	47 Å²	47	66.3 Å²	66.3	22%	0.22	33%	0.325	C	S	.	.	H	α-helix	trans	-66.3	-31.1	178.2	-168	-171.5	-173	0	0	110.3	R107 V109 D110 N117 F118	R107-E113 IonicContact CZ-OE1 3.78Å; R107-E113 IonicContact NH2-OE1 3.29Å; R107-E113 PolarHBondContact NH2-OE1 2.86Å; V109-E113 HydrophobicContact CG1-CB 3.65Å; V109-E113 HydrophobicContact CG1-CG 3.84Å; D110-E113 PolarHBondContact O-N 3.3Å; E113-N117 WeakPolarHBondContact CG-ND2 3.37Å; E113-N117 WeakPolarHBondContact O-CB 3.48Å; E113-N117 PolarHBondContact O-N 3.04Å; E113-N117 VanDerWaalsContact O-N 3.12Å; E113-F118 WeakPolarHBondContact O-CD2 3.33Å
114	F	88.5	Confident	83.5	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-64.4	-52.1	169.6	171.3	-115.3	0	0	0	112.5	V109 D110 W111 K112 D116 F118 L119 V124 L127 I137 F160 L172	V109-F114 HydrophobicContact CG1-CB 4.12Å; D110-F114 PolarHBondContact O-N 3.13Å; W111-F114 AromaticContact CE3-CD1 3.99Å; W111-F114 HydrophobicContact CE3-CD1 3.99Å; W111-F114 HydrophobicContact CH2-CD1 4.43Å; W111-F114 HydrophobicContact CH2-CE1 4.33Å; W111-F114 AromaticContact CZ3-CD1 3.89Å; W111-F114 HydrophobicContact CZ3-CD1 3.89Å; W111-F114 HydrophobicContact CZ3-CE1 4.04Å; W111-F114 WeakPolarHBondContact O-CB 3.33Å; W111-F114 PolarHBondContact O-N 2.88Å; K112-F114 PolarHBondContact O-N 3.16Å; F114-D116 PolarHBondContact O-N 2.96Å; F114-F118 HydrophobicContact CD2-CB 4.14Å; F114-F118 HydrophobicContact CE2-CB 4.42Å; F114-F118 WeakPolarHBondContact O-CB 3.46Å; F114-F118 PolarHBondContact O-N 3.21Å; F114-L119 HydrophobicContact CE1-CD1 4.3Å; F114-L119 HydrophobicContact CE1-CD2 4.44Å; F114-L119 HydrophobicContact CZ-CB 4.36Å; F114-L119 HydrophobicContact CZ-CD1 3.81Å; F114-L119 PolarHBondContact O-N 3.36Å; F114-V124 HydrophobicContact CE2-CG2 3.8Å; F114-V124 HydrophobicContact CZ-CG2 4.4Å; F114-L127 HydrophobicContact CE1-CD1 4.42Å; F114-L127 HydrophobicContact CE2-CD2 3.84Å; F114-L127 HydrophobicContact CZ-CD1 3.81Å; F114-L127 HydrophobicContact CZ-CD2 3.79Å; F114-L127 HydrophobicContact CZ-CG 4.4Å; F114-I137 HydrophobicContact CB-CD1 4.44Å; F114-I137 HydrophobicContact CD2-CD1 3.43Å; F114-I137 VanDerWaalsContact CD2-CD1 3.43Å; F114-I137 HydrophobicContact CD2-CG1 3.77Å; F114-I137 HydrophobicContact CD2-CG2 4.47Å; F114-I137 HydrophobicContact CE2-CD1 4.04Å; F114-I137 HydrophobicContact CE2-CG1 3.84Å; F114-I137 HydrophobicContact CE2-CG2 4.14Å; F114-I137 HydrophobicContact CG-CD1 4.22Å; F114-F160 HydrophobicContact CB-CD1 4.47Å; F114-F160 HydrophobicContact CB-CE1 4.45Å; F114-F160 AromaticContact CD1-CE1 3.97Å; F114-F160 HydrophobicContact CD1-CE1 3.97Å; F114-F160 HydrophobicContact CD1-CZ 4.16Å; F114-F160 HydrophobicContact CD2-CE1 4.15Å; F114-F160 HydrophobicContact CE1-CE1 4.27Å; F114-F160 HydrophobicContact CE1-CZ 4.28Å; F114-F160 HydrophobicContact CE2-CE1 4.42Å; F114-F160 HydrophobicContact CG-CD1 4.38Å; F114-F160 AromaticContact CG-CE1 3.9Å; F114-F160 HydrophobicContact CG-CE1 3.9Å; F114-F160 HydrophobicContact CZ-CE1 4.47Å; F114-L172 HydrophobicContact CE1-CD1 4.03Å; F114-L172 HydrophobicContact CZ-CD1 4.37Å
115	T	86	Confident	84.1	Confident	8 Å²	8	61.3 Å²	61.3	5%	0.049	30%	0.298	C	S	.	.	I	π-helix	trans	-61.6	-46.1	179.5	52.5	0	0	0	0	111.7	W111 K112 L119 L120 M175	W111-T115 HydrophobicContact CZ2-CG2 4.42Å; W111-T115 PolarHBondContact O-N 3.31Å; W111-T115 PolarHBondContact O-OG1 3.15Å; K112-T115 WeakPolarHBondContact CA-OG1 3.49Å; K112-T115 PolarHBondContact O-N 3.02Å; K112-T115 PolarHBondContact O-OG1 3.48Å; T115-L119 PolarHBondContact O-N 2.9Å; T115-L120 VanDerWaalsContact O-CB 3.3Å; T115-L120 WeakPolarHBondContact O-CB 3.42Å; T115-L120 PolarHBondContact O-N 3.1Å; T115-M175 HydrophobicContact CG2-CE 4.21Å; T115-M175 HydrophobicContact CG2-CG 4.48Å
116	D	84.1	Confident	84.7	Confident	83 Å²	83	60.5 Å²	60.5	44%	0.444	29%	0.293	S	S	.	.	I	π-helix	trans	-82.2	-39.4	-166.1	-58.7	-0.1	0	0	0	112.5	K112 F114	K112-D116 VanDerWaalsContact O-CB 3.29Å; K112-D116 WeakPolarHBondContact O-CB 3.42Å; K112-D116 PolarHBondContact O-N 3.38Å; F114-D116 PolarHBondContact O-N 2.96Å
117	N	83.2	Confident	85.2	Confident	53 Å²	53	56.2 Å²	56.2	28%	0.283	28%	0.276	S	S	.	.	I	π-helix	trans	-95.8	-21.2	-176.6	-68.4	-50	0	0	0	114.5	E113 K121	E113-N117 WeakPolarHBondContact CG-ND2 3.37Å; E113-N117 WeakPolarHBondContact O-CB 3.48Å; E113-N117 PolarHBondContact O-N 3.04Å; E113-N117 VanDerWaalsContact O-N 3.12Å; N117-K121 WeakPolarHBondContact O-CD 3.4Å
118	F	84.5	Confident	85.4	Confident	16 Å²	16	53.8 Å²	53.8	7%	0.07	27%	0.268	C	S	.	.	I	π-helix	trans	-120.1	-52.8	-173.2	-56.8	-84.1	0	0	0	112.6	V109 E113 F114 G122 A123 V124 L139 Y158	V109-F118 HydrophobicContact CG1-CD2 4.38Å; V109-F118 HydrophobicContact CG1-CE2 3.91Å; V109-F118 HydrophobicContact CG2-CE2 4.21Å; E113-F118 WeakPolarHBondContact O-CD2 3.33Å; F114-F118 HydrophobicContact CD2-CB 4.14Å; F114-F118 HydrophobicContact CE2-CB 4.42Å; F114-F118 WeakPolarHBondContact O-CB 3.46Å; F114-F118 PolarHBondContact O-N 3.21Å; F118-G122 PolarHBondContact O-N 3.25Å; F118-A123 WeakPolarHBondContact O-CB 3.43Å; F118-A123 PolarHBondContact O-N 3.5Å; F118-V124 HydrophobicContact CB-CG2 3.89Å; F118-L139 HydrophobicContact CD1-CD1 4.46Å; F118-L139 HydrophobicContact CD1-CD2 3.41Å; F118-L139 VanDerWaalsContact CD1-CD2 3.41Å; F118-L139 HydrophobicContact CE1-CD1 4.16Å; F118-L139 HydrophobicContact CE1-CD2 3.87Å; F118-L139 HydrophobicContact CG-CD2 4.41Å; F118-Y158 HydrophobicContact CE1-CD1 4.38Å; F118-Y158 HydrophobicContact CE1-CD2 4.15Å; F118-Y158 HydrophobicContact CE1-CE1 4.43Å; F118-Y158 HydrophobicContact CE1-CE2 4.25Å; F118-Y158 HydrophobicContact CE1-CG 4.23Å; F118-Y158 AromaticContact CZ-CD1 3.71Å; F118-Y158 HydrophobicContact CZ-CD1 3.71Å; F118-Y158 HydrophobicContact CZ-CD2 4.28Å; F118-Y158 AromaticContact CZ-CE1 3.82Å; F118-Y158 HydrophobicContact CZ-CE1 3.82Å; F118-Y158 HydrophobicContact CZ-CE2 4.42Å; F118-Y158 AromaticContact CZ-CG 3.93Å; F118-Y158 HydrophobicContact CZ-CG 3.93Å
119	L	84.4	Confident	85.6	Confident	11 Å²	11	48.7 Å²	48.7	6%	0.058	25%	0.246	C	C	.	.	I	π-helix	trans	-70.8	-49.8	-176.3	-158.7	75.6	0	0	0	111.8	F114 T115 K121 G122 V124 L172 M175 M179 T187	F114-L119 HydrophobicContact CE1-CD1 4.3Å; F114-L119 HydrophobicContact CE1-CD2 4.44Å; F114-L119 HydrophobicContact CZ-CB 4.36Å; F114-L119 HydrophobicContact CZ-CD1 3.81Å; F114-L119 PolarHBondContact O-N 3.36Å; T115-L119 PolarHBondContact O-N 2.9Å; L119-K121 PolarHBondContact O-N 2.57Å; L119-G122 PolarHBondContact O-N 2.67Å; L119-G122 VanDerWaalsContact O-N 3.07Å; L119-V124 HydrophobicContact CD1-CG2 4.33Å; L119-L172 HydrophobicContact CD1-CD1 4.39Å; L119-L172 HydrophobicContact CD2-CD1 4.38Å; L119-M175 HydrophobicContact CD2-CB 4.47Å; L119-M179 HydrophobicContact CD2-CE 3.5Å; L119-M179 VanDerWaalsContact CD2-CE 3.5Å; L119-M179 HydrophobicContact CG-CE 3.8Å; L119-T187 HydrophobicContact CD1-CG2 3.89Å
120	L	82.3	Confident	85.5	Confident	104 Å²	104	48.6 Å²	48.6	55%	0.545	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-26.8	178.3	-91.8	160.9	0	0	0	113.8	T115 G122 M179	T115-L120 VanDerWaalsContact O-CB 3.3Å; T115-L120 WeakPolarHBondContact O-CB 3.42Å; T115-L120 PolarHBondContact O-N 3.1Å; L120-G122 VanDerWaalsContact C-N 3.32Å; L120-M179 HydrophobicContact CD2-CG 4.25Å; L120-M179 HydrophobicContact CD2-SD 3.49Å; L120-M179 WeakPolarHBondContact CD2-SD 3.36Å; L120-M179 HydrophobicContact CG-SD 3.68Å
121	K	80.3	Confident	85.3	Confident	119 Å²	119	45.2 Å²	45.2	52%	0.517	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87	1.6	176.7	-60.4	-166.7	-175.2	178.2	0	113.6	N117 L119 A123 S147	N117-K121 WeakPolarHBondContact O-CD 3.4Å; L119-K121 PolarHBondContact O-N 2.57Å; K121-A123 HydrophobicContact CB-CB 4.45Å; K121-A123 PolarHBondContact O-N 3.48Å; K121-S147 PolarHBondContact NZ-OG 2.93Å
122	G	80.6	Confident	85.3	Confident	45 Å²	45	49.2 Å²	49.2	46%	0.464	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.6	13.9	-174.2	0	0	0	0	0	114.2	F118 L119 L120 V124	F118-G122 PolarHBondContact O-N 3.25Å; L119-G122 PolarHBondContact O-N 2.67Å; L119-G122 VanDerWaalsContact O-N 3.07Å; L120-G122 VanDerWaalsContact C-N 3.32Å; G122-V124 PolarHBondContact O-N 3.19Å
123	A	83	Confident	85.3	Confident	8 Å²	8	44 Å²	44	7%	0.066	23%	0.23	C	C	.	.			trans	-75.9	-5.8	-170.1	0	0	0	0	0	114.1	F118 K121 L139 Q140 A143	F118-A123 WeakPolarHBondContact O-CB 3.43Å; F118-A123 PolarHBondContact O-N 3.5Å; K121-A123 HydrophobicContact CB-CB 4.45Å; K121-A123 PolarHBondContact O-N 3.48Å; A123-L139 HydrophobicContact CB-CD2 4.47Å; A123-L139 CarbonylContact O-C 3.54Å; A123-L139 WeakPolarHBondContact O-CA 3.45Å; A123-Q140 PolarHBondContact O-N 2.86Å; A123-A143 HydrophobicContact CB-CB 3.69Å
124	V	84.2	Confident	85.5	Confident	12 Å²	12	44.4 Å²	44.4	7%	0.073	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	118.6	-173.7	-177.1	0	0	0	0	110.4	F114 F118 L119 G122 L127 I137 T187	F114-V124 HydrophobicContact CE2-CG2 3.8Å; F114-V124 HydrophobicContact CZ-CG2 4.4Å; F118-V124 HydrophobicContact CB-CG2 3.89Å; L119-V124 HydrophobicContact CD1-CG2 4.33Å; G122-V124 PolarHBondContact O-N 3.19Å; V124-L127 HydrophobicContact CG1-CD2 3.73Å; V124-L127 HydrophobicContact CG1-CG 4.07Å; V124-I137 HydrophobicContact CG1-CG2 4.38Å; V124-I137 HydrophobicContact CG2-CG2 4.1Å; V124-T187 HydrophobicContact CB-CG2 4.38Å; V124-T187 HydrophobicContact CG1-CG2 4.22Å
125	H	82.8	Confident	85.6	Confident	114 Å²	114	44.4 Å²	44.4	53%	0.528	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	-49.2	170.9	-177.4	-61.6	0	0	0	111.2	H138 Q140	H125-H138 PolarHBondContact N-O 3.45Å; H125-Q140 HydrophobicContact CB-CG 3.99Å
126	H	89.2	Confident	85.7	Confident	38 Å²	38	45.8 Å²	45.8	18%	0.176	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.7	165.2	176.1	74.7	-74.6	0	0	0	111.4	H138 F188 T190	H126-H138 AromaticContact CD2-CD2 4Å; H126-H138 AromaticContact CE1-CD2 3.4Å; H126-H138 PolarHBondContact CE1-CD2 2.88Å; H126-H138 VanDerWaalsContact CE1-CD2 3.4Å; H126-H138 AromaticContact CE1-CG 3.3Å; H126-H138 AromaticContact CE1-ND1 3.75Å; H126-H138 AromaticContact CE1-NE2 3.87Å; H126-H138 PolarHBondContact N-O 3.3Å; H126-H138 WeakPolarHBondContact ND1-CB 3.28Å; H126-H138 AromaticContact ND1-CG 3.82Å; H126-H138 AromaticContact NE2-CD2 3.37Å; H126-H138 PolarHBondContact NE2-CD2 3.16Å; H126-H138 AromaticContact NE2-CG 3.79Å; H126-H138 AromaticContact NE2-NE2 3.65Å; H126-H138 PolarHBondContact O-N 3.17Å; H126-H138 VanDerWaalsContact O-N 3.09Å; H126-F188 HydrophobicContact CB-CB 4.34Å; H126-F188 WeakPolarHBondContact CB-O 3.49Å; H126-T190 PolarHBondContact CD2-OG1 3.17Å
127	L	90.5	Very high	86	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	126.2	178.9	-62.6	178.5	0	0	0	110.1	F114 V124 V135 I137 F168 L172 F188 I189 T190	F114-L127 HydrophobicContact CE1-CD1 4.42Å; F114-L127 HydrophobicContact CE2-CD2 3.84Å; F114-L127 HydrophobicContact CZ-CD1 3.81Å; F114-L127 HydrophobicContact CZ-CD2 3.79Å; F114-L127 HydrophobicContact CZ-CG 4.4Å; V124-L127 HydrophobicContact CG1-CD2 3.73Å; V124-L127 HydrophobicContact CG1-CG 4.07Å; L127-V135 HydrophobicContact CB-CG1 3.81Å; L127-V135 HydrophobicContact CD2-CG1 4.12Å; L127-V135 HydrophobicContact CG-CG1 4.37Å; L127-I137 HydrophobicContact CD2-CB 4.3Å; L127-I137 HydrophobicContact CD2-CG1 4Å; L127-I137 HydrophobicContact CD2-CG2 4.26Å; L127-F168 HydrophobicContact CD1-CE2 4.32Å; L127-F168 HydrophobicContact CD1-CZ 3.82Å; L127-L172 HydrophobicContact CD1-CD1 3.8Å; L127-L172 HydrophobicContact CD1-CD2 3.88Å; L127-F188 PolarHBondContact N-O 3.35Å; L127-I189 CarbonylContact O-C 3.48Å; L127-I189 VanDerWaalsContact O-CA 3.32Å; L127-I189 WeakPolarHBondContact O-CA 3.47Å; L127-T190 PolarHBondContact O-N 2.65Å; L127-T190 PolarHBondContact O-OG1 3.07Å
128	E	89.7	Confident	86.1	Confident	13 Å²	13	42 Å²	42	6%	0.061	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	105.7	178.6	-177.7	-166.7	172	0	0	109.5	V130 V135 R136 H138 T190 S192 R194	E128-V130 HydrophobicContact CG-CG2 4.06Å; E128-V130 PolarHBondContact O-N 3.01Å; E128-V135 WeakPolarHBondContact O-CA 3.42Å; E128-R136 HydrophobicContact CB-CB 4.18Å; E128-R136 PolarHBondContact N-O 2.99Å; E128-R136 PolarHBondContact O-N 2.8Å; E128-R136 WeakPolarHBondContact OE2-CD 3.42Å; E128-R136 IonicContact OE2-NH1 2.74Å; E128-R136 PolarHBondContact OE2-NH1 2.85Å; E128-H138 IonicContact OE2-CE1 3.15Å; E128-H138 IonicContact OE2-NE2 3.96Å; E128-H138 PolarHBondContact OE2-NE2 2.98Å; E128-T190 CarbonylContact C-O 3.56Å; E128-T190 WeakPolarHBondContact CA-O 3.3Å; E128-T190 VanDerWaalsContact CA-OG1 3.32Å; E128-T190 WeakPolarHBondContact CA-OG1 3.45Å; E128-T190 WeakPolarHBondContact CB-OG1 3.41Å; E128-S192 WeakPolarHBondContact OE1-CB 3.42Å; E128-S192 PolarHBondContact OE1-OG 3.28Å; E128-R194 VanDerWaalsContact CD-NH2 3.35Å; E128-R194 IonicContact OE1-CZ 3.38Å; E128-R194 VanDerWaalsContact OE1-CZ 3.27Å; E128-R194 IonicContact OE1-NE 2.72Å; E128-R194 PolarHBondContact OE1-NE 2.8Å; E128-R194 IonicContact OE1-NH2 2.76Å; E128-R194 PolarHBondContact OE1-NH2 3.08Å; E128-R194 IonicContact OE2-NH2 3.48Å; E128-R194 PolarHBondContact OE2-NH2 3.35Å; E128-R194 VanDerWaalsContact OE2-NH2 3.15Å
129	V	90.8	Very high	86.1	Confident	2 Å²	2	42.8 Å²	42.8	1%	0.012	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	107.4	174.1	177.9	0	0	0	0	108.7	V135 I162 V165 F168 I189 T190 Y191 S192	V129-V135 HydrophobicContact CG2-CG2 4.04Å; V129-I162 HydrophobicContact CG1-CD1 4Å; V129-V165 HydrophobicContact CG1-CG2 4.3Å; V129-F168 HydrophobicContact CG2-CD1 4.11Å; V129-F168 HydrophobicContact CG2-CE1 3.64Å; V129-I189 HydrophobicContact CB-CG2 4.48Å; V129-I189 HydrophobicContact CG2-CG2 3.54Å; V129-T190 PolarHBondContact N-O 3.08Å; V129-Y191 HydrophobicContact CB-CD1 3.77Å; V129-Y191 HydrophobicContact CB-CE1 3.77Å; V129-Y191 HydrophobicContact CG1-CD1 3.94Å; V129-Y191 HydrophobicContact CG1-CE1 3.82Å; V129-Y191 HydrophobicContact CG2-CD1 4.4Å; V129-Y191 HydrophobicContact CG2-CE1 3.96Å; V129-S192 PolarHBondContact O-N 3.18Å
130	V	85.3	Confident	85.9	Confident	0 Å²	0	47 Å²	47	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	126.2	-178.2	-173.5	0	0	0	0	110.4	E128 K132 S133 W134 S192 R194	E128-V130 HydrophobicContact CG-CG2 4.06Å; E128-V130 PolarHBondContact O-N 3.01Å; V130-K132 PolarHBondContact O-N 3.2Å; V130-S133 PolarHBondContact O-N 3.12Å; V130-W134 HydrophobicContact CB-CD2 3.87Å; V130-W134 HydrophobicContact CB-CE3 4.26Å; V130-W134 HydrophobicContact CB-CG 4.46Å; V130-W134 HydrophobicContact CB-CH2 4.09Å; V130-W134 HydrophobicContact CB-CZ2 3.65Å; V130-W134 HydrophobicContact CB-CZ3 4.37Å; V130-W134 HydrophobicContact CG1-CH2 4.23Å; V130-W134 HydrophobicContact CG1-CZ2 3.51Å; V130-W134 HydrophobicContact CG2-CD2 4.32Å; V130-W134 HydrophobicContact CG2-CE3 4.19Å; V130-W134 HydrophobicContact CG2-CH2 3.79Å; V130-W134 HydrophobicContact CG2-CZ2 3.89Å; V130-W134 HydrophobicContact CG2-CZ3 3.94Å; V130-W134 PolarHBondContact N-O 3.39Å; V130-W134 PolarHBondContact O-N 3.47Å; V130-S192 WeakPolarHBondContact CA-O 3.5Å; V130-R194 HydrophobicContact CG1-CB 3.96Å; V130-R194 HydrophobicContact CG1-CG 3.95Å
131	N	83.3	Confident	85.3	Confident	46 Å²	46	48 Å²	48	25%	0.246	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.2	31.5	174.9	-67.1	-25.7	0	0	0	114.5	S133 S192 S193 R194	N131-S133 PolarHBondContact O-N 2.99Å; N131-S133 PolarHBondContact O-OG 2.86Å; N131-S192 PolarHBondContact N-O 3.49Å; N131-S193 WeakPolarHBondContact OD1-CA 3.44Å; N131-R194 PolarHBondContact ND2-O 2.65Å; N131-R194 PolarHBondContact OD1-N 2.9Å; N131-R194 PolarHBondContact OD1-O 3.24Å
132	K	86.7	Confident	84.8	Confident	160 Å²	160	45.9 Å²	45.9	70%	0.696	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	26.5	-178.3	-55.5	-170.8	177.6	-169.6	0	114.8	V130 V165	V130-K132 PolarHBondContact O-N 3.2Å; K132-V165 HydrophobicContact CB-CG2 3.78Å; K132-V165 HydrophobicContact CD-CG2 4.33Å; K132-V165 HydrophobicContact CG-CG2 3.95Å
133	S	86.2	Confident	84.1	Confident	46 Å²	46	45.9 Å²	45.9	32%	0.322	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.5	-22.6	-172.3	39.1	0	0	0	0	114.5	V130 N131 I162	V130-S133 PolarHBondContact O-N 3.12Å; N131-S133 PolarHBondContact O-N 2.99Å; N131-S133 PolarHBondContact O-OG 2.86Å; S133-I162 PolarHBondContact O-N 3.48Å
134	W	89.2	Confident	82.9	Confident	54 Å²	54	49.7 Å²	49.7	21%	0.205	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	158.8	173.7	57.9	-80.6	0	0	0	111.3	Y106 V130 R136 W159 F160 E161	Y106-W134 HydrophobicContact CE1-CH2 4.41Å; V130-W134 HydrophobicContact CB-CD2 3.87Å; V130-W134 HydrophobicContact CB-CE3 4.26Å; V130-W134 HydrophobicContact CB-CG 4.46Å; V130-W134 HydrophobicContact CB-CH2 4.09Å; V130-W134 HydrophobicContact CB-CZ2 3.65Å; V130-W134 HydrophobicContact CB-CZ3 4.37Å; V130-W134 HydrophobicContact CG1-CH2 4.23Å; V130-W134 HydrophobicContact CG1-CZ2 3.51Å; V130-W134 HydrophobicContact CG2-CD2 4.32Å; V130-W134 HydrophobicContact CG2-CE3 4.19Å; V130-W134 HydrophobicContact CG2-CH2 3.79Å; V130-W134 HydrophobicContact CG2-CZ2 3.89Å; V130-W134 HydrophobicContact CG2-CZ3 3.94Å; V130-W134 PolarHBondContact N-O 3.39Å; V130-W134 PolarHBondContact O-N 3.47Å; W134-R136 HydrophobicContact CE3-CB 4.34Å; W134-R136 HydrophobicContact CZ3-CB 3.83Å; W134-R136 HydrophobicContact CZ3-CG 4.17Å; W134-W159 HydrophobicContact CB-CE3 3.97Å; W134-W159 HydrophobicContact CB-CZ3 4.21Å; W134-W159 HydrophobicContact CD2-CE3 4.33Å; W134-W159 HydrophobicContact CE3-CB 3.98Å; W134-W159 HydrophobicContact CE3-CE3 4.15Å; W134-W159 HydrophobicContact CE3-CG 4.49Å; W134-W159 HydrophobicContact CG-CE3 4.31Å; W134-W159 HydrophobicContact CZ3-CB 4.16Å; W134-F160 CarbonylContact C-O 3.56Å; W134-F160 VanDerWaalsContact CA-O 3.24Å; W134-F160 WeakPolarHBondContact CA-O 3.37Å; W134-F160 VanDerWaalsContact CB-O 3.24Å; W134-F160 WeakPolarHBondContact CB-O 3.36Å; W134-E161 HydrophobicContact CB-CG 4.49Å
135	V	90.6	Very high	81.2	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	132.4	-178.9	-177.4	0	0	0	0	108.7	L127 E128 V129 W159 F160 I162 F168	L127-V135 HydrophobicContact CB-CG1 3.81Å; L127-V135 HydrophobicContact CD2-CG1 4.12Å; L127-V135 HydrophobicContact CG-CG1 4.37Å; E128-V135 WeakPolarHBondContact O-CA 3.42Å; V129-V135 HydrophobicContact CG2-CG2 4.04Å; V135-W159 CarbonylContact O-C 3.54Å; V135-W159 WeakPolarHBondContact O-CA 3.37Å; V135-W159 WeakPolarHBondContact O-CB 3.1Å; V135-F160 HydrophobicContact CB-CD1 4.28Å; V135-F160 HydrophobicContact CB-CD2 4.29Å; V135-F160 HydrophobicContact CB-CE1 3.81Å; V135-F160 HydrophobicContact CB-CE2 3.8Å; V135-F160 HydrophobicContact CB-CZ 3.55Å; V135-F160 HydrophobicContact CG1-CE1 3.86Å; V135-F160 HydrophobicContact CG1-CE2 4.46Å; V135-F160 HydrophobicContact CG1-CZ 3.73Å; V135-F160 HydrophobicContact CG2-CE2 3.88Å; V135-F160 HydrophobicContact CG2-CZ 3.95Å; V135-F160 PolarHBondContact N-O 2.75Å; V135-F160 PolarHBondContact O-N 3.39Å; V135-I162 HydrophobicContact CG2-CD1 3.98Å; V135-I162 HydrophobicContact CG2-CG1 4.29Å; V135-I162 HydrophobicContact CG2-CG2 3.65Å; V135-F168 HydrophobicContact CG1-CZ 4.1Å; V135-F168 HydrophobicContact CG2-CD1 4.15Å; V135-F168 HydrophobicContact CG2-CD2 4.34Å; V135-F168 HydrophobicContact CG2-CE1 3.88Å; V135-F168 HydrophobicContact CG2-CE2 4.11Å; V135-F168 HydrophobicContact CG2-CG 4.37Å; V135-F168 HydrophobicContact CG2-CZ 3.86Å
136	R	89.2	Confident	79.6	Confident	38 Å²	38	57.4 Å²	57.4	14%	0.143	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	128.2	174.9	-165.7	-173.3	-168.4	-155.1	-2.2	108.9	E128 W134 I157	E128-R136 HydrophobicContact CB-CB 4.18Å; E128-R136 PolarHBondContact N-O 2.99Å; E128-R136 PolarHBondContact O-N 2.8Å; E128-R136 WeakPolarHBondContact OE2-CD 3.42Å; E128-R136 IonicContact OE2-NH1 2.74Å; E128-R136 PolarHBondContact OE2-NH1 2.85Å; W134-R136 HydrophobicContact CE3-CB 4.34Å; W134-R136 HydrophobicContact CZ3-CB 3.83Å; W134-R136 HydrophobicContact CZ3-CG 4.17Å; R136-I157 HydrophobicContact CG-CG2 3.74Å; R136-I157 VanDerWaalsContact NH2-CD1 3.28Å
137	I	89.9	Confident	77.9	Confident	7 Å²	7	59 Å²	59	4%	0.036	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	119.6	-178.8	-55.4	154	0	0	0	107.8	V109 F114 V124 L127 L139 Y158 F160	V109-I137 HydrophobicContact CB-CD1 4.49Å; F114-I137 HydrophobicContact CB-CD1 4.44Å; F114-I137 HydrophobicContact CD2-CD1 3.43Å; F114-I137 VanDerWaalsContact CD2-CD1 3.43Å; F114-I137 HydrophobicContact CD2-CG1 3.77Å; F114-I137 HydrophobicContact CD2-CG2 4.47Å; F114-I137 HydrophobicContact CE2-CD1 4.04Å; F114-I137 HydrophobicContact CE2-CG1 3.84Å; F114-I137 HydrophobicContact CE2-CG2 4.14Å; F114-I137 HydrophobicContact CG-CD1 4.22Å; V124-I137 HydrophobicContact CG1-CG2 4.38Å; V124-I137 HydrophobicContact CG2-CG2 4.1Å; L127-I137 HydrophobicContact CD2-CB 4.3Å; L127-I137 HydrophobicContact CD2-CG1 4Å; L127-I137 HydrophobicContact CD2-CG2 4.26Å; I137-L139 HydrophobicContact CG2-CD2 3.87Å; I137-Y158 PolarHBondContact N-O 3.4Å; I137-F160 HydrophobicContact CD1-CD1 3.9Å; I137-F160 HydrophobicContact CD1-CE1 4.09Å; I137-F160 HydrophobicContact CG1-CD1 4.13Å; I137-F160 HydrophobicContact CG1-CE1 3.92Å
138	H	86.3	Confident	76	Confident	50 Å²	50	63.6 Å²	63.6	23%	0.231	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	123.1	170.4	-67.5	-99.3	0	0	0	108.8	H125 H126 E128	H125-H138 PolarHBondContact N-O 3.45Å; H126-H138 AromaticContact CD2-CD2 4Å; H126-H138 AromaticContact CE1-CD2 3.4Å; H126-H138 PolarHBondContact CE1-CD2 2.88Å; H126-H138 VanDerWaalsContact CE1-CD2 3.4Å; H126-H138 AromaticContact CE1-CG 3.3Å; H126-H138 AromaticContact CE1-ND1 3.75Å; H126-H138 AromaticContact CE1-NE2 3.87Å; H126-H138 PolarHBondContact N-O 3.3Å; H126-H138 WeakPolarHBondContact ND1-CB 3.28Å; H126-H138 AromaticContact ND1-CG 3.82Å; H126-H138 AromaticContact NE2-CD2 3.37Å; H126-H138 PolarHBondContact NE2-CD2 3.16Å; H126-H138 AromaticContact NE2-CG 3.79Å; H126-H138 AromaticContact NE2-NE2 3.65Å; H126-H138 PolarHBondContact O-N 3.17Å; H126-H138 VanDerWaalsContact O-N 3.09Å; E128-H138 IonicContact OE2-CE1 3.15Å; E128-H138 IonicContact OE2-NE2 3.96Å; E128-H138 PolarHBondContact OE2-NE2 2.98Å
139	L	84.1	Confident	73.6	Confident	32 Å²	32	66 Å²	66	17%	0.168	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	155.1	-177.4	-56.8	179.5	0	0	0	111.6	F118 A123 I137 E144 Y158	F118-L139 HydrophobicContact CD1-CD1 4.46Å; F118-L139 HydrophobicContact CD1-CD2 3.41Å; F118-L139 VanDerWaalsContact CD1-CD2 3.41Å; F118-L139 HydrophobicContact CE1-CD1 4.16Å; F118-L139 HydrophobicContact CE1-CD2 3.87Å; F118-L139 HydrophobicContact CG-CD2 4.41Å; A123-L139 HydrophobicContact CB-CD2 4.47Å; A123-L139 CarbonylContact O-C 3.54Å; A123-L139 WeakPolarHBondContact O-CA 3.45Å; I137-L139 HydrophobicContact CG2-CD2 3.87Å; L139-E144 HydrophobicContact CD1-CG 4.2Å; L139-Y158 HydrophobicContact CD1-CD2 3.98Å; L139-Y158 HydrophobicContact CD1-CE2 3.83Å
140	Q	79.4	Confident	70.8	Confident	98 Å²	98	72 Å²	72	46%	0.458	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-67.1	143	167.2	-79.4	-172.5	-12	0	0	110.5	A123 H125 G142 A143	A123-Q140 PolarHBondContact O-N 2.86Å; H125-Q140 HydrophobicContact CB-CG 3.99Å; Q140-G142 PolarHBondContact O-N 2.86Å; Q140-A143 HydrophobicContact CB-CB 4.3Å; Q140-A143 WeakPolarHBondContact O-CB 3.36Å; Q140-A143 PolarHBondContact O-N 2.83Å
141	P	70.6	Confident	68.6	Low	125 Å²	125	77.6 Å²	77.6	81%	0.812	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	123.8	173.2	-18.7	30.4	0	0	0	110.1
142	G	69.9	Low	66.7	Low	76 Å²	76	83.2 Å²	83.2	78%	0.784	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.1	-8.1	-177.4	0	0	0	0	0	115.7	Q140 E144	Q140-G142 PolarHBondContact O-N 2.86Å; G142-E144 PolarHBondContact O-N 3.46Å
143	A	65.1	Low	64.8	Low	45 Å²	45	77.4 Å²	77.4	37%	0.372	46%	0.463	S	S	.	.			trans	-78.5	0.8	169	0	0	0	0	0	113.1	A123 Q140	A123-A143 HydrophobicContact CB-CB 3.69Å; Q140-A143 HydrophobicContact CB-CB 4.3Å; Q140-A143 WeakPolarHBondContact O-CB 3.36Å; Q140-A143 PolarHBondContact O-N 2.83Å
144	E	57.8	Low	63	Low	87 Å²	87	79 Å²	79	41%	0.407	47%	0.474	S	S	.	.	S	Bend	trans	-81.7	131	175.7	-62	-171.5	168.6	0	0	111	L139 G142 S154	L139-E144 HydrophobicContact CD1-CG 4.2Å; G142-E144 PolarHBondContact O-N 3.46Å; E144-S154 WeakPolarHBondContact OE2-CA 3.25Å
145	S	48	Very low	61.7	Low	91 Å²	91	84 Å²	84	64%	0.636	50%	0.497	S	S	*	.	S	Bend	trans	66.3	82.7	171.7	60.1	0	0	0	0	118.8
146	E	50.7	Low	60.8	Low	198 Å²	198	88.2 Å²	88.2	93%	0.925	52%	0.515	S	S	*	.	S	Bend	trans	-121.8	-39.1	137.1	-77	-164.7	151.5	0	0	112.4	Y148	E146-Y148 PolarHBondContact O-N 2.99Å
147	S	52.7	Low	60.5	Low	71 Å²	71	88.1 Å²	88.1	50%	0.497	52%	0.517	S	S	.	.	S	Bend	trans	-87.1	2.4	-172.3	-51.5	0	0	0	0	116.1	K121	K121-S147 PolarHBondContact NZ-OG 2.93Å
148	Y	50.1	Low	60.4	Low	97 Å²	97	88.7 Å²	88.7	38%	0.38	52%	0.519	S	S	.	.	S	Bend	trans	-134.8	121.8	175.9	-76.4	-74.3	0	0	0	110.5	R107 E146	R107-Y148 VanDerWaalsContact NH2-CZ 3.31Å; R107-Y148 PolarHBondContact NH2-OH 2.86Å; E146-Y148 PolarHBondContact O-N 2.99Å
149	G	39.7	Very low	60.5	Low	64 Å²	64	88.9 Å²	88.9	66%	0.66	52%	0.518	S	S	*	.			trans	-59	154.6	-170.3	0	0	0	0	0	114.6	V151	G149-V151 PolarHBondContact O-N 3.32Å
150	S	32.5	Very low	60.9	Low	127 Å²	127	87.6 Å²	87.6	89%	0.888	51%	0.511	S	S	*	.	S	Bend	trans	-49.8	92.3	-175.9	55	0	0	0	0	114.9
151	V	39.6	Very low	61.3	Low	118 Å²	118	88.7 Å²	88.7	72%	0.715	52%	0.516	S	S	*	.	S	Bend	trans	-145.8	131.5	156.3	-178.1	0	0	0	0	105.6	G149 L153	G149-V151 PolarHBondContact O-N 3.32Å; V151-L153 WeakPolarHBondContact O-CA 3.33Å; V151-L153 WeakPolarHBondContact O-CB 3.41Å; V151-L153 WeakPolarHBondContact O-CD1 3.21Å; V151-L153 WeakPolarHBondContact O-CG 3.49Å; V151-L153 PolarHBondContact O-N 2.94Å
152	D	41.8	Very low	62.3	Low	164 Å²	164	83.9 Å²	83.9	88%	0.877	48%	0.483	S	S	*	.			trans	-37.8	89.6	-175.2	-73.6	-54.3	0	0	0	114.7
153	L	47.4	Very low	63	Low	38 Å²	38	84.2 Å²	84.2	20%	0.199	49%	0.487	C	S	.	.			trans	-97.5	-4.6	-170	-94.7	156.1	0	0	0	113.2	V151 K155 K156	V151-L153 WeakPolarHBondContact O-CA 3.33Å; V151-L153 WeakPolarHBondContact O-CB 3.41Å; V151-L153 WeakPolarHBondContact O-CD1 3.21Å; V151-L153 WeakPolarHBondContact O-CG 3.49Å; V151-L153 PolarHBondContact O-N 2.94Å; L153-K155 PolarHBondContact O-N 3.04Å; L153-K156 HydrophobicContact CD2-CB 4.44Å; L153-K156 HydrophobicContact CD2-CD 3.62Å; L153-K156 HydrophobicContact CD2-CG 4.09Å; L153-K156 PolarHBondContact O-N 3.47Å; L153-K156 VanDerWaalsContact O-N 3.08Å
154	S	48.7	Very low	64.1	Low	80 Å²	80	84 Å²	84	56%	0.559	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	11.4	-166.5	55.4	0	0	0	0	117	E144	E144-S154 WeakPolarHBondContact OE2-CA 3.25Å
155	K	61.7	Low	65.6	Low	157 Å²	157	80.9 Å²	80.9	68%	0.683	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-141.7	10	174.2	-74.7	-169.7	175.6	166.7	0	115.2	M105 L153 I157	M105-K155 HydrophobicContact CE-CB 4.42Å; M105-K155 HydrophobicContact SD-CB 3.92Å; L153-K155 PolarHBondContact O-N 3.04Å; K155-I157 PolarHBondContact O-N 3.34Å
156	K	72.4	Confident	67.5	Low	90 Å²	90	81.3 Å²	81.3	39%	0.391	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-73.5	125.4	175.6	-75.4	-162.9	-172.5	166.8	0	111.7	L153 Y158	L153-K156 HydrophobicContact CD2-CB 4.44Å; L153-K156 HydrophobicContact CD2-CD 3.62Å; L153-K156 HydrophobicContact CD2-CG 4.09Å; L153-K156 PolarHBondContact O-N 3.47Å; L153-K156 VanDerWaalsContact O-N 3.08Å; K156-Y158 WeakPolarHBondContact O-CD2 3.4Å; K156-Y158 WeakPolarHBondContact O-CE2 3.5Å
157	I	81.3	Confident	69.4	Low	35 Å²	35	75.4 Å²	75.4	18%	0.179	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	116.9	179.7	-63.5	155.9	0	0	0	108.3	M105 Y106 R107 R136 K155	M105-I157 HydrophobicContact CB-CD1 4.45Å; M105-I157 PolarHBondContact O-N 2.91Å; Y106-I157 WeakPolarHBondContact CA-O 3.46Å; Y106-I157 HydrophobicContact CD1-CB 4.05Å; Y106-I157 HydrophobicContact CD1-CG2 3.7Å; Y106-I157 HydrophobicContact CE1-CB 4.23Å; Y106-I157 HydrophobicContact CE1-CD1 4.07Å; Y106-I157 HydrophobicContact CE1-CG2 3.69Å; Y106-I157 HydrophobicContact CE2-CD1 4.21Å; R107-I157 PolarHBondContact N-O 2.88Å; R136-I157 HydrophobicContact CG-CG2 3.74Å; R136-I157 VanDerWaalsContact NH2-CD1 3.28Å; K155-I157 PolarHBondContact O-N 3.34Å
158	Y	87.8	Confident	71.2	Confident	20 Å²	20	72.5 Å²	72.5	8%	0.078	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	137.2	177.6	-60.2	-82.7	0	0	0	110.9	R107 V109 F118 I137 L139 K156	R107-Y158 HydrophobicContact CB-CD1 4.18Å; R107-Y158 HydrophobicContact CB-CE1 4.33Å; R107-Y158 HydrophobicContact CG-CD1 4.28Å; R107-Y158 HydrophobicContact CG-CE1 4.32Å; R107-Y158 WeakPolarHBondContact O-CA 3.32Å; V109-Y158 HydrophobicContact CG2-CD1 3.54Å; V109-Y158 HydrophobicContact CG2-CG 4.16Å; F118-Y158 HydrophobicContact CE1-CD1 4.38Å; F118-Y158 HydrophobicContact CE1-CD2 4.15Å; F118-Y158 HydrophobicContact CE1-CE1 4.43Å; F118-Y158 HydrophobicContact CE1-CE2 4.25Å; F118-Y158 HydrophobicContact CE1-CG 4.23Å; F118-Y158 AromaticContact CZ-CD1 3.71Å; F118-Y158 HydrophobicContact CZ-CD1 3.71Å; F118-Y158 HydrophobicContact CZ-CD2 4.28Å; F118-Y158 AromaticContact CZ-CE1 3.82Å; F118-Y158 HydrophobicContact CZ-CE1 3.82Å; F118-Y158 HydrophobicContact CZ-CE2 4.42Å; F118-Y158 AromaticContact CZ-CG 3.93Å; F118-Y158 HydrophobicContact CZ-CG 3.93Å; I137-Y158 PolarHBondContact N-O 3.4Å; L139-Y158 HydrophobicContact CD1-CD2 3.98Å; L139-Y158 HydrophobicContact CD1-CE2 3.83Å; K156-Y158 WeakPolarHBondContact O-CD2 3.4Å; K156-Y158 WeakPolarHBondContact O-CE2 3.5Å
159	W	90	Very high	73.1	Confident	53 Å²	53	71 Å²	71	20%	0.201	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	156.6	-178.6	72.3	-75.8	0	0	0	113.2	R107 K108 V109 W134 V135 E161	R107-W159 VanDerWaalsContact O-CD1 3.24Å; R107-W159 PolarHBondContact O-N 2.79Å; R107-W159 VanDerWaalsContact O-N 3.16Å; K108-W159 CarbonylContact C-O 3.47Å; K108-W159 WeakPolarHBondContact CA-O 3.47Å; K108-W159 HydrophobicContact CB-CZ2 4.07Å; K108-W159 HydrophobicContact CD-CH2 4.28Å; K108-W159 HydrophobicContact CD-CZ2 4.25Å; K108-W159 HydrophobicContact CG-CZ2 4.3Å; V109-W159 PolarHBondContact N-O 2.75Å; W134-W159 HydrophobicContact CB-CE3 3.97Å; W134-W159 HydrophobicContact CB-CZ3 4.21Å; W134-W159 HydrophobicContact CD2-CE3 4.33Å; W134-W159 HydrophobicContact CE3-CB 3.98Å; W134-W159 HydrophobicContact CE3-CE3 4.15Å; W134-W159 HydrophobicContact CE3-CG 4.49Å; W134-W159 HydrophobicContact CG-CE3 4.31Å; W134-W159 HydrophobicContact CZ3-CB 4.16Å; V135-W159 CarbonylContact O-C 3.54Å; V135-W159 WeakPolarHBondContact O-CA 3.37Å; V135-W159 WeakPolarHBondContact O-CB 3.1Å; W159-E161 HydrophobicContact CE3-CG 4.38Å; W159-E161 HydrophobicContact CH2-CG 4.27Å; W159-E161 HydrophobicContact CZ3-CG 3.55Å
160	F	91.5	Very high	75.5	Confident	6 Å²	6	76.2 Å²	76.2	3%	0.026	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	160.4	174.2	62.3	-90.2	0	0	0	111.8	V109 W111 F114 W134 V135 I137 I162 F168	V109-F160 VanDerWaalsContact O-CB 3.25Å; V109-F160 WeakPolarHBondContact O-CB 3.5Å; W111-F160 HydrophobicContact CE3-CD2 4.28Å; W111-F160 AromaticContact CE3-CE2 3.71Å; W111-F160 HydrophobicContact CE3-CE2 3.71Å; W111-F160 HydrophobicContact CE3-CZ 4.02Å; W111-F160 AromaticContact CZ3-CE2 3.72Å; W111-F160 HydrophobicContact CZ3-CE2 3.72Å; W111-F160 AromaticContact CZ3-CZ 3.77Å; W111-F160 HydrophobicContact CZ3-CZ 3.77Å; F114-F160 HydrophobicContact CB-CD1 4.47Å; F114-F160 HydrophobicContact CB-CE1 4.45Å; F114-F160 AromaticContact CD1-CE1 3.97Å; F114-F160 HydrophobicContact CD1-CE1 3.97Å; F114-F160 HydrophobicContact CD1-CZ 4.16Å; F114-F160 HydrophobicContact CD2-CE1 4.15Å; F114-F160 HydrophobicContact CE1-CE1 4.27Å; F114-F160 HydrophobicContact CE1-CZ 4.28Å; F114-F160 HydrophobicContact CE2-CE1 4.42Å; F114-F160 HydrophobicContact CG-CD1 4.38Å; F114-F160 AromaticContact CG-CE1 3.9Å; F114-F160 HydrophobicContact CG-CE1 3.9Å; F114-F160 HydrophobicContact CZ-CE1 4.47Å; W134-F160 CarbonylContact C-O 3.56Å; W134-F160 VanDerWaalsContact CA-O 3.24Å; W134-F160 WeakPolarHBondContact CA-O 3.37Å; W134-F160 VanDerWaalsContact CB-O 3.24Å; W134-F160 WeakPolarHBondContact CB-O 3.36Å; V135-F160 HydrophobicContact CB-CD1 4.28Å; V135-F160 HydrophobicContact CB-CD2 4.29Å; V135-F160 HydrophobicContact CB-CE1 3.81Å; V135-F160 HydrophobicContact CB-CE2 3.8Å; V135-F160 HydrophobicContact CB-CZ 3.55Å; V135-F160 HydrophobicContact CG1-CE1 3.86Å; V135-F160 HydrophobicContact CG1-CE2 4.46Å; V135-F160 HydrophobicContact CG1-CZ 3.73Å; V135-F160 HydrophobicContact CG2-CE2 3.88Å; V135-F160 HydrophobicContact CG2-CZ 3.95Å; V135-F160 PolarHBondContact N-O 2.75Å; V135-F160 PolarHBondContact O-N 3.39Å; I137-F160 HydrophobicContact CD1-CD1 3.9Å; I137-F160 HydrophobicContact CD1-CE1 4.09Å; I137-F160 HydrophobicContact CG1-CD1 4.13Å; I137-F160 HydrophobicContact CG1-CE1 3.92Å; F160-I162 HydrophobicContact CD2-CG2 3.96Å; F160-I162 HydrophobicContact CE2-CG2 3.67Å; F160-F168 HydrophobicContact CE2-CD2 4.05Å; F160-F168 AromaticContact CE2-CE2 3.98Å; F160-F168 HydrophobicContact CE2-CE2 3.98Å; F160-F168 HydrophobicContact CZ-CD2 4.26Å; F160-F168 AromaticContact CZ-CE2 3.72Å; F160-F168 HydrophobicContact CZ-CE2 3.72Å; F160-F168 HydrophobicContact CZ-CZ 4.45Å
161	E	88.3	Confident	78.2	Confident	121 Å²	121	72.8 Å²	72.8	57%	0.565	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.3	148.1	-179.8	-69.1	174.7	126.5	0	0	111.4	K108 W134 W159	K108-E161 IonicContact NZ-OE2 2.74Å; K108-E161 PolarHBondContact NZ-OE2 3.23Å; W134-E161 HydrophobicContact CB-CG 4.49Å; W159-E161 HydrophobicContact CE3-CG 4.38Å; W159-E161 HydrophobicContact CH2-CG 4.27Å; W159-E161 HydrophobicContact CZ3-CG 3.55Å
162	I	90.7	Very high	80.6	Confident	24 Å²	24	67.2 Å²	67.2	12%	0.123	36%	0.359	C	S	.	.			trans	-126.3	143	178.4	55.9	165.3	0	0	0	111.4	V129 S133 V135 F160 V165 F168	V129-I162 HydrophobicContact CG1-CD1 4Å; S133-I162 PolarHBondContact O-N 3.48Å; V135-I162 HydrophobicContact CG2-CD1 3.98Å; V135-I162 HydrophobicContact CG2-CG1 4.29Å; V135-I162 HydrophobicContact CG2-CG2 3.65Å; F160-I162 HydrophobicContact CD2-CG2 3.96Å; F160-I162 HydrophobicContact CE2-CG2 3.67Å; I162-V165 HydrophobicContact CD1-CG2 4.34Å; I162-F168 HydrophobicContact CB-CB 4.12Å; I162-F168 HydrophobicContact CD1-CB 4.22Å; I162-F168 HydrophobicContact CD1-CD1 4.23Å; I162-F168 HydrophobicContact CD1-CG 4.35Å; I162-F168 HydrophobicContact CG2-CB 3.78Å; I162-F168 HydrophobicContact CG2-CD2 3.93Å; I162-F168 HydrophobicContact CG2-CG 3.81Å
163	G	85.6	Confident	82.9	Confident	83 Å²	83	62.8 Å²	62.8	86%	0.856	33%	0.33	S	S	*	.	S	Bend	trans	-77.3	-51.3	-179.6	0	0	0	0	0	113.2
164	S	87.9	Confident	84.8	Confident	41 Å²	41	65.5 Å²	65.5	29%	0.287	35%	0.345	S	S	.	.			trans	-138.5	157.4	166.1	77.4	0	0	0	0	110.3	T167 F168	S164-T167 PolarHBondContact N-OG1 3.02Å; S164-T167 PolarHBondContact O-OG1 3.15Å; S164-T167 WeakPolarHBondContact OG-CB 3.44Å; S164-T167 WeakPolarHBondContact OG-CG2 3.4Å; S164-T167 PolarHBondContact OG-N 3.05Å; S164-T167 PolarHBondContact OG-OG1 3.12Å; S164-F168 PolarHBondContact O-N 3.02Å; S164-F168 VanDerWaalsContact O-N 3.14Å
165	V	89.8	Confident	86.6	Confident	21 Å²	21	64.6 Å²	64.6	13%	0.127	33%	0.332	C	S	.	.	H	α-helix	trans	-62.9	-44.7	176.6	177.9	0	0	0	0	110.4	V129 K132 I162 T167 F168 E169 Y191	V129-V165 HydrophobicContact CG1-CG2 4.3Å; K132-V165 HydrophobicContact CB-CG2 3.78Å; K132-V165 HydrophobicContact CD-CG2 4.33Å; K132-V165 HydrophobicContact CG-CG2 3.95Å; I162-V165 HydrophobicContact CD1-CG2 4.34Å; V165-T167 VanDerWaalsContact C-N 3.32Å; V165-T167 PolarHBondContact O-N 3.3Å; V165-F168 PolarHBondContact O-N 2.7Å; V165-E169 HydrophobicContact CG1-CG 4.33Å; V165-E169 PolarHBondContact O-N 2.96Å; V165-Y191 HydrophobicContact CG1-CE1 3.67Å; V165-Y191 WeakPolarHBondContact CG1-OH 3.5Å
166	D	88	Confident	87.8	Confident	100 Å²	100	57.1 Å²	57.1	54%	0.535	30%	0.3	S	S	.	.	H	α-helix	trans	-65.6	-32.3	-177.3	-42.6	-81	0	0	0	113.1	R170	D166-R170 WeakPolarHBondContact O-CB 3.32Å; D166-R170 WeakPolarHBondContact O-CD 3.45Å; D166-R170 WeakPolarHBondContact O-CG 3.47Å; D166-R170 PolarHBondContact O-N 3.21Å
167	T	89.6	Confident	88.4	Confident	74 Å²	74	55.4 Å²	55.4	45%	0.454	30%	0.303	S	S	.	.	H	α-helix	trans	-74.6	-42.6	175.2	48.2	0	0	0	0	111.1	S164 V165 R170 S171	S164-T167 PolarHBondContact N-OG1 3.02Å; S164-T167 PolarHBondContact O-OG1 3.15Å; S164-T167 WeakPolarHBondContact OG-CB 3.44Å; S164-T167 WeakPolarHBondContact OG-CG2 3.4Å; S164-T167 PolarHBondContact OG-N 3.05Å; S164-T167 PolarHBondContact OG-OG1 3.12Å; V165-T167 VanDerWaalsContact C-N 3.32Å; V165-T167 PolarHBondContact O-N 3.3Å; T167-R170 PolarHBondContact O-N 3.47Å; T167-S171 WeakPolarHBondContact O-CB 3.15Å; T167-S171 PolarHBondContact O-N 2.97Å; T167-S171 PolarHBondContact O-OG 3.37Å
168	F	90.9	Very high	88.5	Confident	10 Å²	10	61.5 Å²	61.5	4%	0.044	33%	0.33	C	S	.	.	H	α-helix	trans	-59.8	-48.7	174	161.5	-111.9	0	0	0	112.3	W111 L127 V129 V135 F160 I162 S164 V165 R170 S171 L172 I189	W111-F168 HydrophobicContact CH2-CD2 4.18Å; W111-F168 HydrophobicContact CH2-CE2 4.21Å; W111-F168 AromaticContact CZ3-CD2 3.8Å; W111-F168 HydrophobicContact CZ3-CD2 3.8Å; W111-F168 AromaticContact CZ3-CE2 3.82Å; W111-F168 HydrophobicContact CZ3-CE2 3.82Å; L127-F168 HydrophobicContact CD1-CE2 4.32Å; L127-F168 HydrophobicContact CD1-CZ 3.82Å; V129-F168 HydrophobicContact CG2-CD1 4.11Å; V129-F168 HydrophobicContact CG2-CE1 3.64Å; V135-F168 HydrophobicContact CG1-CZ 4.1Å; V135-F168 HydrophobicContact CG2-CD1 4.15Å; V135-F168 HydrophobicContact CG2-CD2 4.34Å; V135-F168 HydrophobicContact CG2-CE1 3.88Å; V135-F168 HydrophobicContact CG2-CE2 4.11Å; V135-F168 HydrophobicContact CG2-CG 4.37Å; V135-F168 HydrophobicContact CG2-CZ 3.86Å; F160-F168 HydrophobicContact CE2-CD2 4.05Å; F160-F168 AromaticContact CE2-CE2 3.98Å; F160-F168 HydrophobicContact CE2-CE2 3.98Å; F160-F168 HydrophobicContact CZ-CD2 4.26Å; F160-F168 AromaticContact CZ-CE2 3.72Å; F160-F168 HydrophobicContact CZ-CE2 3.72Å; F160-F168 HydrophobicContact CZ-CZ 4.45Å; I162-F168 HydrophobicContact CB-CB 4.12Å; I162-F168 HydrophobicContact CD1-CB 4.22Å; I162-F168 HydrophobicContact CD1-CD1 4.23Å; I162-F168 HydrophobicContact CD1-CG 4.35Å; I162-F168 HydrophobicContact CG2-CB 3.78Å; I162-F168 HydrophobicContact CG2-CD2 3.93Å; I162-F168 HydrophobicContact CG2-CG 3.81Å; S164-F168 PolarHBondContact O-N 3.02Å; S164-F168 VanDerWaalsContact O-N 3.14Å; V165-F168 PolarHBondContact O-N 2.7Å; F168-R170 PolarHBondContact O-N 3.03Å; F168-S171 PolarHBondContact O-N 3.45Å; F168-L172 HydrophobicContact CE2-CB 4.32Å; F168-L172 HydrophobicContact CE2-CD1 4.44Å; F168-L172 HydrophobicContact CE2-CD2 4.47Å; F168-L172 HydrophobicContact CZ-CD2 4.12Å; F168-L172 WeakPolarHBondContact O-CB 3.49Å; F168-L172 PolarHBondContact O-N 2.68Å; F168-I189 HydrophobicContact CE1-CD1 4.16Å; F168-I189 HydrophobicContact CE1-CG2 4.5Å
169	E	90.5	Very high	88.2	Confident	65 Å²	65	63.3 Å²	63.3	30%	0.304	34%	0.34	S	S	.	.	H	α-helix	trans	-60.7	-44.2	178.6	-73.8	-161.5	147.6	0	0	111.6	V165 L172 R173 I189 Y191	V165-E169 HydrophobicContact CG1-CG 4.33Å; V165-E169 PolarHBondContact O-N 2.96Å; E169-L172 PolarHBondContact O-N 2.99Å; E169-R173 WeakPolarHBondContact O-CB 3.26Å; E169-R173 WeakPolarHBondContact O-CG 3.15Å; E169-R173 PolarHBondContact O-N 3.23Å; E169-I189 HydrophobicContact CG-CD1 3.89Å; E169-Y191 PolarHBondContact OE1-OH 2.93Å
170	R	89.8	Confident	87.7	Confident	173 Å²	173	64 Å²	64	65%	0.653	36%	0.363	S	S	*	.	H	α-helix	trans	-61.2	-51.9	176.4	-71.5	171.8	-165.8	-175.6	4.6	111.7	D166 T167 F168 L172 R173 D174	D166-R170 WeakPolarHBondContact O-CB 3.32Å; D166-R170 WeakPolarHBondContact O-CD 3.45Å; D166-R170 WeakPolarHBondContact O-CG 3.47Å; D166-R170 PolarHBondContact O-N 3.21Å; T167-R170 PolarHBondContact O-N 3.47Å; F168-R170 PolarHBondContact O-N 3.03Å; R170-L172 VanDerWaalsContact C-N 3.28Å; R170-L172 PolarHBondContact O-N 3Å; R170-R173 PolarHBondContact O-N 3.27Å; R170-R173 VanDerWaalsContact O-N 3.16Å; R170-D174 WeakPolarHBondContact O-CB 3.3Å; R170-D174 VanDerWaalsContact O-CG 3.27Å; R170-D174 PolarHBondContact O-N 2.96Å
171	S	89.2	Confident	87	Confident	56 Å²	56	65.9 Å²	65.9	39%	0.392	37%	0.373	S	S	.	.	H	α-helix	trans	-62.3	-32.9	179.9	-63.5	0	0	0	0	113.4	T167 F168 M175	T167-S171 WeakPolarHBondContact O-CB 3.15Å; T167-S171 PolarHBondContact O-N 2.97Å; T167-S171 PolarHBondContact O-OG 3.37Å; F168-S171 PolarHBondContact O-N 3.45Å; S171-M175 WeakPolarHBondContact O-CB 3.35Å; S171-M175 WeakPolarHBondContact O-CG 2.83Å; S171-M175 PolarHBondContact O-N 3.42Å
172	L	89.6	Confident	86.4	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-67.3	-50.4	172.4	-174	77	0	0	0	111.2	W111 F114 L119 L127 F168 E169 R170 D174 M175 E176 I189	W111-L172 HydrophobicContact CH2-CB 4.31Å; W111-L172 HydrophobicContact CH2-CD1 4.28Å; F114-L172 HydrophobicContact CE1-CD1 4.03Å; F114-L172 HydrophobicContact CZ-CD1 4.37Å; L119-L172 HydrophobicContact CD1-CD1 4.39Å; L119-L172 HydrophobicContact CD2-CD1 4.38Å; L127-L172 HydrophobicContact CD1-CD1 3.8Å; L127-L172 HydrophobicContact CD1-CD2 3.88Å; F168-L172 HydrophobicContact CE2-CB 4.32Å; F168-L172 HydrophobicContact CE2-CD1 4.44Å; F168-L172 HydrophobicContact CE2-CD2 4.47Å; F168-L172 HydrophobicContact CZ-CD2 4.12Å; F168-L172 WeakPolarHBondContact O-CB 3.49Å; F168-L172 PolarHBondContact O-N 2.68Å; E169-L172 PolarHBondContact O-N 2.99Å; R170-L172 VanDerWaalsContact C-N 3.28Å; R170-L172 PolarHBondContact O-N 3Å; L172-D174 VanDerWaalsContact C-N 3.33Å; L172-D174 PolarHBondContact O-N 3.07Å; L172-M175 PolarHBondContact O-N 2.99Å; L172-E176 WeakPolarHBondContact O-CG 3.4Å; L172-E176 PolarHBondContact O-N 3.37Å; L172-I189 HydrophobicContact CD2-CD1 3.79Å; L172-I189 HydrophobicContact CD2-CG1 4.18Å
173	R	90.6	Very high	85.7	Confident	72 Å²	72	67.7 Å²	67.7	27%	0.272	39%	0.391	S	S	.	.	H	α-helix	trans	-65.5	-34.6	-178.5	-65.6	-61.3	-179.9	-131.6	-3.8	112.5	E169 R170 E176 A177 T187	E169-R173 WeakPolarHBondContact O-CB 3.26Å; E169-R173 WeakPolarHBondContact O-CG 3.15Å; E169-R173 PolarHBondContact O-N 3.23Å; R170-R173 PolarHBondContact O-N 3.27Å; R170-R173 VanDerWaalsContact O-N 3.16Å; R173-E176 VanDerWaalsContact CD-OE2 3.3Å; R173-E176 WeakPolarHBondContact CD-OE2 3.4Å; R173-E176 IonicContact CZ-OE2 3.69Å; R173-E176 IonicContact NE-OE2 3.75Å; R173-E176 IonicContact NH1-OE1 3.09Å; R173-E176 PolarHBondContact NH1-OE1 2.86Å; R173-E176 IonicContact NH1-OE2 2.62Å; R173-E176 PolarHBondContact NH1-OE2 3.2Å; R173-A177 WeakPolarHBondContact O-CB 3.38Å; R173-A177 PolarHBondContact O-N 3.41Å; R173-T187 PolarHBondContact NH1-O 3.4Å
174	D	88	Confident	85.1	Confident	95 Å²	95	71.8 Å²	71.8	51%	0.508	39%	0.39	S	S	.	.	H	α-helix	trans	-65	-44.2	173.1	-70.2	-22.3	0	0	0	111	R170 L172 A177 H178	R170-D174 WeakPolarHBondContact O-CB 3.3Å; R170-D174 VanDerWaalsContact O-CG 3.27Å; R170-D174 PolarHBondContact O-N 2.96Å; L172-D174 VanDerWaalsContact C-N 3.33Å; L172-D174 PolarHBondContact O-N 3.07Å; D174-A177 PolarHBondContact O-N 3.45Å; D174-H178 PolarHBondContact O-N 3.07Å; D174-H178 PolarHBondContact O-ND1 3.38Å
175	M	85.8	Confident	84.6	Confident	60 Å²	60	76.9 Å²	76.9	30%	0.296	41%	0.409	S	S	.	.	H	α-helix	trans	-65.7	-41.8	175.9	-76.1	-60	-55.4	0	0	112.7	W111 T115 L119 S171 L172 A177 H178 M179	W111-M175 HydrophobicContact CZ2-CG 4.44Å; T115-M175 HydrophobicContact CG2-CE 4.21Å; T115-M175 HydrophobicContact CG2-CG 4.48Å; L119-M175 HydrophobicContact CD2-CB 4.47Å; S171-M175 WeakPolarHBondContact O-CB 3.35Å; S171-M175 WeakPolarHBondContact O-CG 2.83Å; S171-M175 PolarHBondContact O-N 3.42Å; L172-M175 PolarHBondContact O-N 2.99Å; M175-A177 VanDerWaalsContact C-N 3.29Å; M175-A177 PolarHBondContact O-N 3.43Å; M175-H178 PolarHBondContact O-N 3.05Å; M175-M179 WeakPolarHBondContact O-CG 3.4Å; M175-M179 PolarHBondContact O-N 3.13Å; M175-M179 VanDerWaalsContact O-N 3.11Å
176	E	86.2	Confident	84.1	Confident	0 Å²	0	80.2 Å²	80.2	0%	0	42%	0.419	C	S	.	.	H	α-helix	trans	-60.6	-39	173.9	-72	179.3	151.9	0	0	111.8	L172 R173 M179 G180 I181 R186 T187	L172-E176 WeakPolarHBondContact O-CG 3.4Å; L172-E176 PolarHBondContact O-N 3.37Å; R173-E176 VanDerWaalsContact CD-OE2 3.3Å; R173-E176 WeakPolarHBondContact CD-OE2 3.4Å; R173-E176 IonicContact CZ-OE2 3.69Å; R173-E176 IonicContact NE-OE2 3.75Å; R173-E176 IonicContact NH1-OE1 3.09Å; R173-E176 PolarHBondContact NH1-OE1 2.86Å; R173-E176 IonicContact NH1-OE2 2.62Å; R173-E176 PolarHBondContact NH1-OE2 3.2Å; E176-M179 PolarHBondContact O-N 3.35Å; E176-G180 PolarHBondContact O-N 3.47Å; E176-I181 HydrophobicContact CB-CB 4.3Å; E176-I181 HydrophobicContact CB-CD1 4.43Å; E176-I181 HydrophobicContact CG-CD1 4.28Å; E176-I181 WeakPolarHBondContact O-CB 3.38Å; E176-I181 PolarHBondContact O-N 2.83Å; E176-R186 WeakPolarHBondContact OE2-CD 3.45Å; E176-R186 WeakPolarHBondContact OE2-CG 3.12Å; E176-T187 WeakPolarHBondContact OE1-CB 3.48Å; E176-T187 PolarHBondContact OE1-N 2.97Å; E176-T187 PolarHBondContact OE1-OG1 3.47Å
177	A	85.1	Confident	83.7	Confident	55 Å²	55	76.3 Å²	76.3	46%	0.455	40%	0.399	S	S	.	.	H	α-helix	trans	-67.1	-41	175.5	0	0	0	0	0	112.7	R173 D174 M175 M179 G180	R173-A177 WeakPolarHBondContact O-CB 3.38Å; R173-A177 PolarHBondContact O-N 3.41Å; D174-A177 PolarHBondContact O-N 3.45Å; M175-A177 VanDerWaalsContact C-N 3.29Å; M175-A177 PolarHBondContact O-N 3.43Å; A177-M179 PolarHBondContact O-N 3.36Å; A177-G180 PolarHBondContact O-N 2.78Å
178	H	84.5	Confident	83.4	Confident	162 Å²	162	79.4 Å²	79.4	75%	0.75	41%	0.407	S	S	*	.	H	α-helix	trans	-65.9	-26	175.9	-77.4	80	0	0	0	113.3	D174 M175 G180	D174-H178 PolarHBondContact O-N 3.07Å; D174-H178 PolarHBondContact O-ND1 3.38Å; M175-H178 PolarHBondContact O-N 3.05Å; H178-G180 VanDerWaalsContact C-N 3.33Å
179	M	80.5	Confident	83.2	Confident	59 Å²	59	79.7 Å²	79.7	29%	0.291	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	1.6	173.3	-67.2	-173.3	-66	0	0	113.7	L119 L120 M175 E176 A177 I181	L119-M179 HydrophobicContact CD2-CE 3.5Å; L119-M179 VanDerWaalsContact CD2-CE 3.5Å; L119-M179 HydrophobicContact CG-CE 3.8Å; L120-M179 HydrophobicContact CD2-CG 4.25Å; L120-M179 HydrophobicContact CD2-SD 3.49Å; L120-M179 WeakPolarHBondContact CD2-SD 3.36Å; L120-M179 HydrophobicContact CG-SD 3.68Å; M175-M179 WeakPolarHBondContact O-CG 3.4Å; M175-M179 PolarHBondContact O-N 3.13Å; M175-M179 VanDerWaalsContact O-N 3.11Å; E176-M179 PolarHBondContact O-N 3.35Å; A177-M179 PolarHBondContact O-N 3.36Å; M179-I181 VanDerWaalsContact C-N 3.29Å; M179-I181 HydrophobicContact CB-CD1 4.28Å; M179-I181 HydrophobicContact CB-CG1 4.08Å; M179-I181 HydrophobicContact CE-CD1 3.79Å; M179-I181 PolarHBondContact O-N 2.89Å
180	G	79.6	Confident	83.1	Confident	66 Å²	66	78.6 Å²	78.6	68%	0.68	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.8	23.4	-179.1	0	0	0	0	0	114.2	E176 A177 H178 D182	E176-G180 PolarHBondContact O-N 3.47Å; A177-G180 PolarHBondContact O-N 2.78Å; H178-G180 VanDerWaalsContact C-N 3.33Å; G180-D182 PolarHBondContact O-N 2.96Å
181	I	77.3	Confident	83	Confident	47 Å²	47	76 Å²	76	24%	0.241	40%	0.397	C	S	.	.			trans	-73.5	112.1	179.6	-59.8	177.8	0	0	0	109.3	E176 M179 H185 R186	E176-I181 HydrophobicContact CB-CB 4.3Å; E176-I181 HydrophobicContact CB-CD1 4.43Å; E176-I181 HydrophobicContact CG-CD1 4.28Å; E176-I181 WeakPolarHBondContact O-CB 3.38Å; E176-I181 PolarHBondContact O-N 2.83Å; M179-I181 VanDerWaalsContact C-N 3.29Å; M179-I181 HydrophobicContact CB-CD1 4.28Å; M179-I181 HydrophobicContact CB-CG1 4.08Å; M179-I181 HydrophobicContact CE-CD1 3.79Å; M179-I181 PolarHBondContact O-N 2.89Å; I181-H185 HydrophobicContact CG2-CB 4.11Å; I181-R186 HydrophobicContact CG2-CG 4.26Å
182	D	75.6	Confident	82.7	Confident	98 Å²	98	74.8 Å²	74.8	52%	0.524	39%	0.389	S	S	.	.			trans	-55.1	140.1	179.1	-160.9	26.5	0	0	0	111.1	G180 M184 H185	G180-D182 PolarHBondContact O-N 2.96Å; D182-M184 PolarHBondContact O-N 2.9Å; D182-H185 PolarHBondContact O-N 2.93Å
183	P	75	Confident	82.3	Confident	84 Å²	84	80.2 Å²	80.2	55%	0.545	43%	0.427	S	S	.	.	G	3₁₀ helix	trans	-57.2	-24.7	-170	-28.9	37.7	0	0	0	115.7
184	M	74.1	Confident	81.7	Confident	169 Å²	169	82 Å²	82	83%	0.833	43%	0.434	S	S	*	.	G	3₁₀ helix	trans	-70.2	-28.7	173.8	-76.3	-87.5	105.1	0	0	113.9	D182	D182-M184 PolarHBondContact O-N 2.9Å
185	H	76.4	Confident	81	Confident	148 Å²	148	84.4 Å²	84.4	69%	0.685	45%	0.446	S	S	*	.	G	3₁₀ helix	trans	-100.9	9.2	-174.8	-67.4	97.6	0	0	0	113.5	I181 D182	I181-H185 HydrophobicContact CG2-CB 4.11Å; D182-H185 PolarHBondContact O-N 2.93Å
186	R	80.2	Confident	80.3	Confident	91 Å²	91	86.1 Å²	86.1	34%	0.343	45%	0.452	S	S	.	.	S	Bend	trans	-66.1	146.5	179.5	-73.1	-177.4	175.8	178.8	-4.6	112.3	E176 I181 F188	E176-R186 WeakPolarHBondContact OE2-CD 3.45Å; E176-R186 WeakPolarHBondContact OE2-CG 3.12Å; I181-R186 HydrophobicContact CG2-CG 4.26Å; R186-F188 PolarHBondContact O-N 3.02Å
187	T	79.4	Confident	79.6	Confident	19 Å²	19	91.2 Å²	91.2	12%	0.117	49%	0.485	C	S	.	.	P	Polyproline II helix	trans	-61.8	130.7	178.2	58.7	0	0	0	0	110.8	L119 V124 R173 E176	L119-T187 HydrophobicContact CD1-CG2 3.89Å; V124-T187 HydrophobicContact CB-CG2 4.38Å; V124-T187 HydrophobicContact CG1-CG2 4.22Å; R173-T187 PolarHBondContact NH1-O 3.4Å; E176-T187 WeakPolarHBondContact OE1-CB 3.48Å; E176-T187 PolarHBondContact OE1-N 2.97Å; E176-T187 PolarHBondContact OE1-OG1 3.47Å
188	F	84.4	Confident	79.1	Confident	139 Å²	139	91 Å²	91	61%	0.61	48%	0.48	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.6	139.2	179.5	-172	-106.8	0	0	0	110.5	H126 L127 R186 T190	H126-F188 HydrophobicContact CB-CB 4.34Å; H126-F188 WeakPolarHBondContact CB-O 3.49Å; L127-F188 PolarHBondContact N-O 3.35Å; R186-F188 PolarHBondContact O-N 3.02Å; F188-T190 HydrophobicContact CD1-CG2 3.89Å; F188-T190 HydrophobicContact CE1-CG2 3.57Å
189	I	86.1	Confident	78.8	Confident	15 Å²	15	86 Å²	86	8%	0.077	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	113.6	-179.7	-55.7	173.8	0	0	0	108.6	L127 V129 F168 E169 L172 Y191	L127-I189 CarbonylContact O-C 3.48Å; L127-I189 VanDerWaalsContact O-CA 3.32Å; L127-I189 WeakPolarHBondContact O-CA 3.47Å; V129-I189 HydrophobicContact CB-CG2 4.48Å; V129-I189 HydrophobicContact CG2-CG2 3.54Å; F168-I189 HydrophobicContact CE1-CD1 4.16Å; F168-I189 HydrophobicContact CE1-CG2 4.5Å; E169-I189 HydrophobicContact CG-CD1 3.89Å; L172-I189 HydrophobicContact CD2-CD1 3.79Å; L172-I189 HydrophobicContact CD2-CG1 4.18Å; I189-Y191 HydrophobicContact CG2-CD2 4.44Å; I189-Y191 HydrophobicContact CG2-CE1 4.49Å; I189-Y191 HydrophobicContact CG2-CE2 3.85Å
190	T	86.9	Confident	78.7	Confident	42 Å²	42	86.4 Å²	86.4	26%	0.258	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	141.2	168.5	48	0	0	0	0	110.3	H126 L127 E128 V129 F188	H126-T190 PolarHBondContact CD2-OG1 3.17Å; L127-T190 PolarHBondContact O-N 2.65Å; L127-T190 PolarHBondContact O-OG1 3.07Å; E128-T190 CarbonylContact C-O 3.56Å; E128-T190 WeakPolarHBondContact CA-O 3.3Å; E128-T190 VanDerWaalsContact CA-OG1 3.32Å; E128-T190 WeakPolarHBondContact CA-OG1 3.45Å; E128-T190 WeakPolarHBondContact CB-OG1 3.41Å; V129-T190 PolarHBondContact N-O 3.08Å; F188-T190 HydrophobicContact CD1-CG2 3.89Å; F188-T190 HydrophobicContact CE1-CG2 3.57Å
191	Y	88.5	Confident	78.6	Confident	118 Å²	118	88.8 Å²	88.8	46%	0.463	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	121.3	174.7	-74.3	-79.8	0	0	0	109.7	V129 V165 E169 I189	V129-Y191 HydrophobicContact CB-CD1 3.77Å; V129-Y191 HydrophobicContact CB-CE1 3.77Å; V129-Y191 HydrophobicContact CG1-CD1 3.94Å; V129-Y191 HydrophobicContact CG1-CE1 3.82Å; V129-Y191 HydrophobicContact CG2-CD1 4.4Å; V129-Y191 HydrophobicContact CG2-CE1 3.96Å; V165-Y191 HydrophobicContact CG1-CE1 3.67Å; V165-Y191 WeakPolarHBondContact CG1-OH 3.5Å; E169-Y191 PolarHBondContact OE1-OH 2.93Å; I189-Y191 HydrophobicContact CG2-CD2 4.44Å; I189-Y191 HydrophobicContact CG2-CE1 4.49Å; I189-Y191 HydrophobicContact CG2-CE2 3.85Å
192	S	82.4	Confident	78.6	Confident	32 Å²	32	93.4 Å²	93.4	22%	0.224	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	137.9	177	80.3	0	0	0	0	113	E128 V129 V130 N131	E128-S192 WeakPolarHBondContact OE1-CB 3.42Å; E128-S192 PolarHBondContact OE1-OG 3.28Å; V129-S192 PolarHBondContact O-N 3.18Å; V130-S192 WeakPolarHBondContact CA-O 3.5Å; N131-S192 PolarHBondContact N-O 3.49Å
193	S	81.2	Confident	78.8	Confident	114 Å²	114	90.1 Å²	90.1	80%	0.797	47%	0.465	S	S	*	.			trans	-101.8	109.5	170.2	41.6	0	0	0	0	108.5	N131	N131-S193 WeakPolarHBondContact OD1-CA 3.44Å
194	R	78.2	Confident	79.2	Confident	110 Å²	110	91 Å²	91	42%	0.415	47%	0.465	S	S	.	.			trans	-109.6	131.1	179	-64.8	-174.2	-177.8	-123.2	0.7	109.4	E128 V130 N131 K196	E128-R194 VanDerWaalsContact CD-NH2 3.35Å; E128-R194 IonicContact OE1-CZ 3.38Å; E128-R194 VanDerWaalsContact OE1-CZ 3.27Å; E128-R194 IonicContact OE1-NE 2.72Å; E128-R194 PolarHBondContact OE1-NE 2.8Å; E128-R194 IonicContact OE1-NH2 2.76Å; E128-R194 PolarHBondContact OE1-NH2 3.08Å; E128-R194 IonicContact OE2-NH2 3.48Å; E128-R194 PolarHBondContact OE2-NH2 3.35Å; E128-R194 VanDerWaalsContact OE2-NH2 3.15Å; V130-R194 HydrophobicContact CG1-CB 3.96Å; V130-R194 HydrophobicContact CG1-CG 3.95Å; N131-R194 PolarHBondContact ND2-O 2.65Å; N131-R194 PolarHBondContact OD1-N 2.9Å; N131-R194 PolarHBondContact OD1-O 3.24Å; R194-K196 PolarHBondContact O-N 3.04Å
195	L	73.6	Confident	79.6	Confident	145 Å²	145	88.6 Å²	88.6	76%	0.759	45%	0.45	S	S	*	.			trans	-52.2	123.1	170.5	-82.5	159.2	0	0	0	109.2	V200	L195-V200 HydrophobicContact CB-CG2 4.11Å
196	K	72.1	Confident	79.9	Confident	96 Å²	96	88.8 Å²	88.8	42%	0.417	45%	0.445	S	S	.	.			trans	-69.2	142.3	178.5	-62.7	174.9	177.4	176.2	0	108.4	R194 S198 D199 V200	R194-K196 PolarHBondContact O-N 3.04Å; K196-S198 WeakPolarHBondContact CB-OG 3.43Å; K196-S198 PolarHBondContact O-N 2.96Å; K196-S198 VanDerWaalsContact O-N 3.1Å; K196-D199 HydrophobicContact CB-CB 4.48Å; K196-D199 WeakPolarHBondContact CB-OD2 3.46Å; K196-D199 PolarHBondContact O-N 3.07Å; K196-V200 PolarHBondContact O-N 3.49Å
197	P	71.3	Confident	80.2	Confident	107 Å²	107	89.5 Å²	89.5	70%	0.695	46%	0.455	S	S	*	.	H	α-helix	trans	-54.5	-31.8	175.7	-27.3	35.1	0	0	0	112.9	D199 L201	P197-D199 PolarHBondContact O-N 3.21Å; P197-L201 WeakPolarHBondContact O-CB 3.5Å; P197-L201 PolarHBondContact O-N 3.36Å
198	S	74.7	Confident	80.3	Confident	50 Å²	50	92 Å²	92	35%	0.35	47%	0.473	S	S	.	.	H	α-helix	trans	-57.7	-44	171.3	54.5	0	0	0	0	113.1	K196 L201 Y202	K196-S198 WeakPolarHBondContact CB-OG 3.43Å; K196-S198 PolarHBondContact O-N 2.96Å; K196-S198 VanDerWaalsContact O-N 3.1Å; S198-L201 WeakPolarHBondContact O-CB 3.19Å; S198-L201 PolarHBondContact O-N 3.29Å; S198-Y202 WeakPolarHBondContact O-CD2 3.42Å; S198-Y202 PolarHBondContact O-N 3.2Å
199	D	77.1	Confident	80.2	Confident	58 Å²	58	89.4 Å²	89.4	31%	0.31	47%	0.465	S	S	.	.	H	α-helix	trans	-74.6	-35.2	-171.5	-53.6	-11.9	0	0	0	109.7	K196 P197 G203	K196-D199 HydrophobicContact CB-CB 4.48Å; K196-D199 WeakPolarHBondContact CB-OD2 3.46Å; K196-D199 PolarHBondContact O-N 3.07Å; P197-D199 PolarHBondContact O-N 3.21Å; D199-G203 PolarHBondContact O-N 2.91Å
200	V	78.4	Confident	80	Confident	67 Å²	67	95.3 Å²	95.3	41%	0.406	49%	0.49	S	S	.	.	H	α-helix	trans	-65.7	-43.5	169.3	-176.7	0	0	0	0	111	L195 K196 G203 I204	L195-V200 HydrophobicContact CB-CG2 4.11Å; K196-V200 PolarHBondContact O-N 3.49Å; V200-G203 PolarHBondContact O-N 3.11Å; V200-I204 HydrophobicContact CG1-CD1 3.93Å; V200-I204 HydrophobicContact CG1-CG1 4.47Å; V200-I204 WeakPolarHBondContact O-CG1 3.45Å; V200-I204 PolarHBondContact O-N 3.39Å
201	L	78.1	Confident	79.9	Confident	115 Å²	115	98.2 Å²	98.2	60%	0.602	50%	0.504	S	S	*	.	H	α-helix	trans	-61.8	-42.9	175.5	-101.9	158.5	0	0	0	112.6	P197 S198 I204 F205	P197-L201 WeakPolarHBondContact O-CB 3.5Å; P197-L201 PolarHBondContact O-N 3.36Å; S198-L201 WeakPolarHBondContact O-CB 3.19Å; S198-L201 PolarHBondContact O-N 3.29Å; L201-I204 PolarHBondContact O-N 3.43Å; L201-F205 VanDerWaalsContact O-CB 3.31Å; L201-F205 WeakPolarHBondContact O-CB 3.47Å; L201-F205 PolarHBondContact O-N 2.82Å
202	Y	78	Confident	79.6	Confident	145 Å²	145	98.8 Å²	98.8	57%	0.569	51%	0.512	S	S	*	.	H	α-helix	trans	-63.9	-42.2	172.8	-70.8	-56.9	0	0	0	111.2	S198 F205 Y206	S198-Y202 WeakPolarHBondContact O-CD2 3.42Å; S198-Y202 PolarHBondContact O-N 3.2Å; Y202-F205 PolarHBondContact O-N 3.38Å; Y202-Y206 WeakPolarHBondContact O-CD2 3.32Å; Y202-Y206 PolarHBondContact O-N 2.77Å
203	G	79	Confident	79.5	Confident	29 Å²	29	99.3 Å²	99.3	30%	0.299	52%	0.519	S	S	.	.	H	α-helix	trans	-56.9	-50.2	173.8	0	0	0	0	0	112.6	D199 V200 F205 Y206 I207	D199-G203 PolarHBondContact O-N 2.91Å; V200-G203 PolarHBondContact O-N 3.11Å; G203-F205 VanDerWaalsContact C-N 3.34Å; G203-F205 PolarHBondContact O-N 3Å; G203-Y206 PolarHBondContact O-N 3.19Å; G203-I207 WeakPolarHBondContact O-CB 3.24Å; G203-I207 WeakPolarHBondContact O-CD1 3.41Å; G203-I207 VanDerWaalsContact O-CG1 3.28Å; G203-I207 WeakPolarHBondContact O-CG1 3.5Å; G203-I207 PolarHBondContact O-N 3.21Å
204	I	83.7	Confident	79.5	Confident	103 Å²	103	96.8 Å²	96.8	53%	0.528	50%	0.499	S	S	.	.	H	α-helix	trans	-61.7	-40.9	176	-67.7	167.4	0	0	0	111	V200 L201 I207 S208	V200-I204 HydrophobicContact CG1-CD1 3.93Å; V200-I204 HydrophobicContact CG1-CG1 4.47Å; V200-I204 WeakPolarHBondContact O-CG1 3.45Å; V200-I204 PolarHBondContact O-N 3.39Å; L201-I204 PolarHBondContact O-N 3.43Å; I204-I207 PolarHBondContact O-N 2.85Å; I204-S208 WeakPolarHBondContact O-CB 3.19Å; I204-S208 PolarHBondContact O-N 3.18Å
205	F	83.2	Confident	79.5	Confident	118 Å²	118	99.3 Å²	99.3	52%	0.518	51%	0.509	S	S	.	.	H	α-helix	trans	-62.3	-46.2	176.7	177.7	-99.1	0	0	0	112.1	L201 Y202 G203 S208 L209	L201-F205 VanDerWaalsContact O-CB 3.31Å; L201-F205 WeakPolarHBondContact O-CB 3.47Å; L201-F205 PolarHBondContact O-N 2.82Å; Y202-F205 PolarHBondContact O-N 3.38Å; G203-F205 VanDerWaalsContact C-N 3.34Å; G203-F205 PolarHBondContact O-N 3Å; F205-S208 PolarHBondContact O-N 3.32Å; F205-L209 HydrophobicContact CE1-CD1 4.17Å; F205-L209 HydrophobicContact CZ-CD1 4.12Å; F205-L209 WeakPolarHBondContact O-CB 3.5Å; F205-L209 PolarHBondContact O-N 2.96Å
206	Y	82	Confident	79.6	Confident	152 Å²	152	96.9 Å²	96.9	60%	0.596	50%	0.504	S	S	*	.	H	α-helix	trans	-68.3	-39.3	177	-73.1	-61.5	0	0	0	112.7	Y202 G203 L209 F210	Y202-Y206 WeakPolarHBondContact O-CD2 3.32Å; Y202-Y206 PolarHBondContact O-N 2.77Å; G203-Y206 PolarHBondContact O-N 3.19Å; Y206-L209 PolarHBondContact O-N 3.25Å; Y206-F210 WeakPolarHBondContact O-CB 3.24Å; Y206-F210 PolarHBondContact O-N 3.49Å
207	I	85.6	Confident	79.6	Confident	105 Å²	105	99 Å²	99	54%	0.538	52%	0.52	S	S	.	.	H	α-helix	trans	-63.8	-42.4	173.4	-70.4	162.1	0	0	0	110.5	G203 I204 L209 F210 L211	G203-I207 WeakPolarHBondContact O-CB 3.24Å; G203-I207 WeakPolarHBondContact O-CD1 3.41Å; G203-I207 VanDerWaalsContact O-CG1 3.28Å; G203-I207 WeakPolarHBondContact O-CG1 3.5Å; G203-I207 PolarHBondContact O-N 3.21Å; I204-I207 PolarHBondContact O-N 2.85Å; I207-L209 VanDerWaalsContact C-N 3.34Å; I207-L209 PolarHBondContact O-N 3.02Å; I207-F210 PolarHBondContact O-N 2.77Å; I207-L211 HydrophobicContact CG2-CD1 3.87Å; I207-L211 HydrophobicContact CG2-CG 4.33Å; I207-L211 WeakPolarHBondContact O-CB 3.47Å; I207-L211 VanDerWaalsContact O-CG 3.3Å; I207-L211 WeakPolarHBondContact O-CG 2.98Å; I207-L211 PolarHBondContact O-N 2.84Å
208	S	81.3	Confident	79.1	Confident	72 Å²	72	102 Å²	102	50%	0.503	52%	0.517	S	S	.	.	H	α-helix	trans	-62.7	-40.1	175.1	-176	0	0	0	0	111.9	I204 F205 M212	I204-S208 WeakPolarHBondContact O-CB 3.19Å; I204-S208 PolarHBondContact O-N 3.18Å; F205-S208 PolarHBondContact O-N 3.32Å; S208-M212 VanDerWaalsContact O-CB 3.24Å; S208-M212 WeakPolarHBondContact O-CB 3.43Å; S208-M212 PolarHBondContact O-N 3.25Å
209	L	82.7	Confident	78.2	Confident	85 Å²	85	105.4 Å²	105.4	45%	0.445	54%	0.538	S	S	.	.	H	α-helix	trans	-71.2	-38	178.7	-166.4	147.5	0	0	0	111.3	F205 Y206 I207 M212 A213	F205-L209 HydrophobicContact CE1-CD1 4.17Å; F205-L209 HydrophobicContact CZ-CD1 4.12Å; F205-L209 WeakPolarHBondContact O-CB 3.5Å; F205-L209 PolarHBondContact O-N 2.96Å; Y206-L209 PolarHBondContact O-N 3.25Å; I207-L209 VanDerWaalsContact C-N 3.34Å; I207-L209 PolarHBondContact O-N 3.02Å; L209-M212 PolarHBondContact O-N 2.87Å; L209-A213 WeakPolarHBondContact O-CB 3.14Å; L209-A213 PolarHBondContact O-N 2.89Å
210	F	82.4	Confident	76.9	Confident	138 Å²	138	107 Å²	107	61%	0.605	56%	0.559	S	S	*	*	H	α-helix	trans	-64.2	-47.5	171.7	-178.5	-98.8	0	0	0	112	Y206 I207 M212 A213 V214	Y206-F210 WeakPolarHBondContact O-CB 3.24Å; Y206-F210 PolarHBondContact O-N 3.49Å; I207-F210 PolarHBondContact O-N 2.77Å; F210-M212 VanDerWaalsContact C-N 3.33Å; F210-M212 PolarHBondContact O-N 3.45Å; F210-A213 PolarHBondContact O-N 3.48Å; F210-V214 HydrophobicContact CD1-CG2 4.26Å; F210-V214 HydrophobicContact CE1-CG2 3.89Å; F210-V214 HydrophobicContact CE2-CG2 4.36Å; F210-V214 HydrophobicContact CZ-CG2 3.95Å; F210-V214 WeakPolarHBondContact O-CG2 3.39Å; F210-V214 PolarHBondContact O-N 3.23Å
211	L	84.4	Confident	75.5	Confident	104 Å²	104	109.1 Å²	109.1	55%	0.545	58%	0.577	S	S	.	*	H	α-helix	trans	-63.8	-37	176.1	-73.4	173.3	0	0	0	111.9	I207 V214 Y215	I207-L211 HydrophobicContact CG2-CD1 3.87Å; I207-L211 HydrophobicContact CG2-CG 4.33Å; I207-L211 WeakPolarHBondContact O-CB 3.47Å; I207-L211 VanDerWaalsContact O-CG 3.3Å; I207-L211 WeakPolarHBondContact O-CG 2.98Å; I207-L211 PolarHBondContact O-N 2.84Å; L211-V214 PolarHBondContact O-N 3.1Å; L211-Y215 VanDerWaalsContact O-CB 3.22Å; L211-Y215 WeakPolarHBondContact O-CB 3.34Å; L211-Y215 PolarHBondContact O-N 3.46Å
212	M	82.1	Confident	73.6	Confident	129 Å²	129	108 Å²	108	64%	0.635	59%	0.593	S	S	*	*	H	α-helix	trans	-65.9	-40.7	173.9	-171.1	175.3	71.2	0	0	111.6	S208 L209 F210 Y215 S216	S208-M212 VanDerWaalsContact O-CB 3.24Å; S208-M212 WeakPolarHBondContact O-CB 3.43Å; S208-M212 PolarHBondContact O-N 3.25Å; L209-M212 PolarHBondContact O-N 2.87Å; F210-M212 VanDerWaalsContact C-N 3.33Å; F210-M212 PolarHBondContact O-N 3.45Å; M212-Y215 PolarHBondContact O-N 3.25Å; M212-S216 WeakPolarHBondContact O-CB 3.31Å; M212-S216 PolarHBondContact O-N 3.46Å
213	A	81.3	Confident	71.5	Confident	44 Å²	44	104 Å²	104	36%	0.364	60%	0.597	S	S	.	*	H	α-helix	trans	-63.1	-48	173.8	0	0	0	0	0	111.6	L209 F210 Y215 S216 L217	L209-A213 WeakPolarHBondContact O-CB 3.14Å; L209-A213 PolarHBondContact O-N 2.89Å; F210-A213 PolarHBondContact O-N 3.48Å; A213-Y215 VanDerWaalsContact C-N 3.33Å; A213-Y215 PolarHBondContact O-N 3.19Å; A213-S216 PolarHBondContact O-N 2.98Å; A213-S216 PolarHBondContact O-OG 2.96Å; A213-L217 PolarHBondContact O-N 3.02Å
214	V	80.6	Confident	69.4	Low	61 Å²	61	109.6 Å²	109.6	37%	0.37	62%	0.624	S	S	.	*	H	α-helix	trans	-63.5	-36.5	176.2	174	0	0	0	0	111.9	F210 L211 L217	F210-V214 HydrophobicContact CD1-CG2 4.26Å; F210-V214 HydrophobicContact CE1-CG2 3.89Å; F210-V214 HydrophobicContact CE2-CG2 4.36Å; F210-V214 HydrophobicContact CZ-CG2 3.95Å; F210-V214 WeakPolarHBondContact O-CG2 3.39Å; F210-V214 PolarHBondContact O-N 3.23Å; L211-V214 PolarHBondContact O-N 3.1Å; V214-L217 PolarHBondContact O-N 3.48Å
215	Y	77.3	Confident	67.4	Low	163 Å²	163	109.9 Å²	109.9	64%	0.639	63%	0.631	S	S	*	*	H	α-helix	trans	-69.7	-36.7	175.5	-164.4	-88.9	0	0	0	112	L211 M212 A213 L217 R218	L211-Y215 VanDerWaalsContact O-CB 3.22Å; L211-Y215 WeakPolarHBondContact O-CB 3.34Å; L211-Y215 PolarHBondContact O-N 3.46Å; M212-Y215 PolarHBondContact O-N 3.25Å; A213-Y215 VanDerWaalsContact C-N 3.33Å; A213-Y215 PolarHBondContact O-N 3.19Å; Y215-L217 PolarHBondContact O-N 2.94Å; Y215-R218 WeakPolarHBondContact O-CB 3.4Å; Y215-R218 PolarHBondContact O-N 3.43Å
216	S	75.9	Confident	65.2	Low	93 Å²	93	115.8 Å²	115.8	65%	0.65	65%	0.65	S	S	*	*	H	α-helix	trans	-65	-18.6	174.1	75.7	0	0	0	0	113.9	M212 A213	M212-S216 WeakPolarHBondContact O-CB 3.31Å; M212-S216 PolarHBondContact O-N 3.46Å; A213-S216 PolarHBondContact O-N 2.98Å; A213-S216 PolarHBondContact O-OG 2.96Å
217	L	72.5	Confident	63.3	Low	142 Å²	142	117.6 Å²	117.6	74%	0.743	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.8	-4.8	173.5	-70.5	165.1	0	0	0	113.5	A213 V214 Y215	A213-L217 PolarHBondContact O-N 3.02Å; V214-L217 PolarHBondContact O-N 3.48Å; Y215-L217 PolarHBondContact O-N 2.94Å
218	R	60.8	Low	61	Low	168 Å²	168	118.7 Å²	118.7	63%	0.634	68%	0.677	S	S	*	*	S	Bend	trans	-74.5	124.3	176.5	-73.3	-173.7	172.1	178.2	-2	110.3	Y215 A220	Y215-R218 WeakPolarHBondContact O-CB 3.4Å; Y215-R218 PolarHBondContact O-N 3.43Å; R218-A220 PolarHBondContact O-N 3.44Å
219	P	55.4	Low	59.1	Low	123 Å²	123	118.6 Å²	118.6	80%	0.799	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-64.8	119.5	174.5	26.9	-33	0	0	0	109.3	S221	P219-S221 PolarHBondContact O-N 3.41Å
220	A	51.2	Low	57	Low	90 Å²	90	122.5 Å²	122.5	74%	0.744	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-64.1	117.2	170.8	0	0	0	0	0	109.3	R218	R218-A220 PolarHBondContact O-N 3.44Å
221	S	47.4	Very low	55	Low	112 Å²	112	118.8 Å²	118.8	78%	0.783	71%	0.709	S	S	*	*	S	Bend	trans	38.2	96.7	155.5	58.5	0	0	0	0	117.6	P219	P219-S221 PolarHBondContact O-N 3.41Å
222	G	38.5	Very low	53.3	Low	92 Å²	92	119 Å²	119	95%	0.948	72%	0.719	S	S	*	*	S	Bend	trans	64.9	73.1	147.8	0	0	0	0	0	116.9
223	G	35.5	Very low	51.7	Low	62 Å²	62	115.6 Å²	115.6	64%	0.639	72%	0.717	S	S	*	*			trans	-170.9	114.7	168.4	0	0	0	0	0	112.8	V225	G223-V225 VanDerWaalsContact C-N 3.28Å; G223-V225 PolarHBondContact O-N 3.41Å
224	V	34.9	Very low	50.2	Low	146 Å²	146	120 Å²	120	89%	0.885	73%	0.733	S	S	*	*			trans	-72.7	84.7	172.3	-179.6	0	0	0	0	108.8
225	V	40.9	Very low	49.1	Very low	109 Å²	109	126.3 Å²	126.3	66%	0.661	76%	0.756	S	S	*	*			trans	-110.3	95.7	172.2	-177.8	0	0	0	0	108.9	G223 K227	G223-V225 VanDerWaalsContact C-N 3.28Å; G223-V225 PolarHBondContact O-N 3.41Å; V225-K227 HydrophobicContact CG1-CB 4.27Å; V225-K227 HydrophobicContact CG1-CD 4.39Å; V225-K227 HydrophobicContact CG1-CG 3.97Å; V225-K227 PolarHBondContact O-N 3.4Å
226	R	37.8	Very low	48	Very low	242 Å²	242	123.1 Å²	123.1	91%	0.913	75%	0.75	S	S	*	*			trans	-67.1	74.2	165.2	-70.6	179.5	174.7	173	-2.1	109.9	S228	R226-S228 PolarHBondContact O-N 2.95Å
227	K	41.1	Very low	46.9	Very low	190 Å²	190	124 Å²	124	83%	0.826	74%	0.742	S	S	*	*			trans	-83.7	89.7	165	-100.8	-176	174.9	-178	0	109.5	V225	V225-K227 HydrophobicContact CG1-CB 4.27Å; V225-K227 HydrophobicContact CG1-CD 4.39Å; V225-K227 HydrophobicContact CG1-CG 3.97Å; V225-K227 PolarHBondContact O-N 3.4Å
228	S	36.4	Very low	46.2	Very low	127 Å²	127	118.1 Å²	118.1	89%	0.888	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.6	139.7	162.9	-170.8	0	0	0	0	110	R226	R226-S228 PolarHBondContact O-N 2.95Å
229	G	41.5	Very low	46.1	Very low	70 Å²	70	116.4 Å²	116.4	72%	0.722	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	152.1	-36.6	172.4	0	0	0	0	0	116.5
230	L	39	Very low	46.4	Very low	168 Å²	168	113.1 Å²	113.1	88%	0.88	70%	0.696	S	S	*	*	S	Bend	trans	-119.8	-5	-167.3	-143.9	68.6	0	0	0	116
231	G	41.6	Very low	47.2	Very low	60 Å²	60	109.9 Å²	109.9	62%	0.619	67%	0.667	S	S	*	*	S	Bend	trans	-94.5	-18.7	-176.9	0	0	0	0	0	116.3
232	S	47.6	Very low	48.6	Very low	109 Å²	109	105.7 Å²	105.7	76%	0.762	64%	0.637	S	S	*	*	S	Bend	trans	-85.4	-16.8	-169.3	-163.9	0	0	0	0	114.9
233	G	48.7	Very low	50.7	Low	57 Å²	57	108.9 Å²	108.9	59%	0.588	62%	0.62	S	S	*	*	G	3₁₀ helix	trans	-75	-26.7	-174.7	0	0	0	0	0	114.5	F235	G233-F235 PolarHBondContact O-N 3.22Å
234	L	50.7	Low	53	Low	135 Å²	135	109.3 Å²	109.3	71%	0.707	61%	0.608	S	S	*	*	G	3₁₀ helix	trans	-79.3	-13.7	-172.7	-73.3	165.7	0	0	0	114.4	F237	L234-F237 WeakPolarHBondContact O-CD2 3.35Å
235	F	55.7	Low	55.3	Low	194 Å²	194	104.8 Å²	104.8	85%	0.851	58%	0.578	S	S	*	*	G	3₁₀ helix	trans	-103.1	-5.3	-178.7	-79.2	-78.7	0	0	0	114.5	G233 F237	G233-F235 PolarHBondContact O-N 3.22Å; F235-F237 VanDerWaalsContact C-N 3.26Å; F235-F237 PolarHBondContact O-N 3.5Å
236	N	54	Low	57.2	Low	96 Å²	96	104 Å²	104	51%	0.513	57%	0.567	S	S	.	*			trans	-86.7	12.4	-176.6	-149.4	37.4	0	0	0	114.2	G238 Q239	N236-G238 PolarHBondContact O-N 2.88Å; N236-Q239 PolarHBondContact ND2-NE2 3.33Å; N236-Q239 PolarHBondContact OD1-NE2 3.25Å
237	F	54.5	Low	59.2	Low	111 Å²	111	97.8 Å²	97.8	49%	0.487	55%	0.547	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	17	-174.9	-85	-91.8	0	0	0	115.6	L234 F235 R335	L234-F237 WeakPolarHBondContact O-CD2 3.35Å; F235-F237 VanDerWaalsContact C-N 3.26Å; F235-F237 PolarHBondContact O-N 3.5Å; F237-R335 PolarHBondContact O-NH2 3.02Å
238	G	56.7	Low	60.9	Low	20 Å²	20	95.2 Å²	95.2	21%	0.206	54%	0.542	C	S	.	.	T	Hydrogen-bonded Turn	trans	-149.8	30.6	-172	0	0	0	0	0	115	N236 K334	N236-G238 PolarHBondContact O-N 2.88Å; G238-K334 PolarHBondContact O-NZ 2.95Å
239	Q	59	Low	62.9	Low	131 Å²	131	96.1 Å²	96.1	61%	0.612	53%	0.53	S	S	*	.			trans	-72.7	153.3	164	-62.8	-166.5	-8.4	0	0	110	N236	N236-Q239 PolarHBondContact ND2-NE2 3.33Å; N236-Q239 PolarHBondContact OD1-NE2 3.25Å
240	S	60.9	Low	64.7	Low	54 Å²	54	93.9 Å²	93.9	38%	0.378	50%	0.501	S	S	.	.			trans	-69.3	134.7	-176.2	53.3	0	0	0	0	111.3	V242	S240-V242 PolarHBondContact O-N 3.33Å; S240-V242 VanDerWaalsContact O-N 3.16Å
241	P	68.9	Low	66.8	Low	23 Å²	23	89.4 Å²	89.4	15%	0.149	50%	0.496	C	S	.	.			trans	-73.8	-0.4	178.7	30.9	-36.1	0	0	0	113.5	R243 V319 E323 R335	P241-R243 PolarHBondContact O-N 3.04Å; P241-V319 HydrophobicContact CB-CG1 4.32Å; P241-V319 HydrophobicContact CG-CG1 3.92Å; P241-E323 HydrophobicContact CB-CB 3.89Å; P241-E323 HydrophobicContact CG-CB 4.47Å; P241-R335 HydrophobicContact CG-CB 4.39Å
242	V	76.5	Confident	69.1	Low	24 Å²	24	88 Å²	88	15%	0.145	48%	0.475	C	S	.	.			trans	-67.2	114.8	-169.6	-174.4	0	0	0	0	112.2	S240 L244 L317 V319 M339	S240-V242 PolarHBondContact O-N 3.33Å; S240-V242 VanDerWaalsContact O-N 3.16Å; V242-L244 PolarHBondContact O-N 3.22Å; V242-L317 HydrophobicContact CG1-CB 3.77Å; V242-L317 HydrophobicContact CG1-CD2 3.96Å; V242-L317 HydrophobicContact CG1-CG 3.84Å; V242-V319 HydrophobicContact CB-CG2 4.25Å; V242-V319 HydrophobicContact CG1-CG2 4.45Å; V242-V319 HydrophobicContact CG2-CG2 3.8Å; V242-M339 HydrophobicContact CG2-CB 3.84Å; V242-M339 HydrophobicContact CG2-CG 3.9Å
243	R	82.4	Confident	71.1	Confident	159 Å²	159	89.7 Å²	89.7	60%	0.6	47%	0.465	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.8	102.2	168.9	-55.9	-177.2	-160.9	-173	7.1	108.4	P241 S318 E323	P241-R243 PolarHBondContact O-N 3.04Å; R243-S318 PolarHBondContact N-O 2.86Å; R243-S318 PolarHBondContact O-N 3.48Å; R243-E323 IonicContact CZ-OE1 3.65Å; R243-E323 IonicContact NE-OE1 3.35Å; R243-E323 IonicContact NH2-OE1 3.46Å; R243-E323 PolarHBondContact NH2-OE1 3.42Å
244	L	84.9	Confident	73	Confident	70 Å²	70	87.9 Å²	87.9	37%	0.366	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	124	172.3	179.9	66.4	0	0	0	110.3	V242 E246 P315 L317 K346	V242-L244 PolarHBondContact O-N 3.22Å; L244-E246 HydrophobicContact CD2-CG 4.36Å; L244-P315 HydrophobicContact CD1-CB 4.19Å; L244-L317 HydrophobicContact CD1-CD1 3.68Å; L244-L317 HydrophobicContact CD1-CG 4.07Å; L244-K346 HydrophobicContact CD1-CD 3.61Å; L244-K346 HydrophobicContact CD2-CD 4.08Å; L244-K346 HydrophobicContact CG-CD 4.47Å
245	I	82.7	Confident	74.8	Confident	51 Å²	51	84.9 Å²	84.9	26%	0.262	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	113.5	163	-50.1	-175.5	0	0	0	107.1	K249 I250 F316	I245-K249 HydrophobicContact CG2-CB 4.02Å; I245-I250 HydrophobicContact CG2-CG1 3.78Å; I245-F316 HydrophobicContact CB-CB 4.36Å; I245-F316 HydrophobicContact CD1-CD1 4.03Å; I245-F316 HydrophobicContact CG1-CD1 4.41Å; I245-F316 PolarHBondContact N-O 3.45Å; I245-F316 PolarHBondContact O-N 2.82Å
246	E	81	Confident	76.4	Confident	92 Å²	92	78.3 Å²	78.3	43%	0.43	41%	0.405	S	S	.	.			trans	-65.2	146.6	173.2	-65.9	163.5	159.5	0	0	110.1	L244 D248 K249	L244-E246 HydrophobicContact CD2-CG 4.36Å; E246-D248 PolarHBondContact O-N 3.31Å; E246-K249 HydrophobicContact CB-CD 4.48Å; E246-K249 PolarHBondContact O-N 3.04Å; E246-K249 WeakPolarHBondContact OE2-CE 3.46Å; E246-K249 IonicContact OE2-NZ 2.84Å; E246-K249 PolarHBondContact OE2-NZ 3.41Å
247	K	79.6	Confident	78.1	Confident	112 Å²	112	74.3 Å²	74.3	49%	0.487	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-45.4	-42.7	-177.5	62.2	178.9	-170.9	172.5	0	113.6	K249 I250	K247-K249 PolarHBondContact O-N 2.91Å; K247-I250 PolarHBondContact O-N 3.37Å
248	D	76.1	Confident	79.8	Confident	136 Å²	136	69.7 Å²	69.7	73%	0.727	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-73.5	-10.2	-174.2	-49.4	-54.7	0	0	0	113.2	E246	E246-D248 PolarHBondContact O-N 3.31Å
249	K	80.1	Confident	81.2	Confident	146 Å²	146	69.2 Å²	69.2	64%	0.635	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-102.8	0.2	178.8	-67.8	168.3	-179.6	157.8	0	112.9	I245 E246 K247 G251	I245-K249 HydrophobicContact CG2-CB 4.02Å; E246-K249 HydrophobicContact CB-CD 4.48Å; E246-K249 PolarHBondContact O-N 3.04Å; E246-K249 WeakPolarHBondContact OE2-CE 3.46Å; E246-K249 IonicContact OE2-NZ 2.84Å; E246-K249 PolarHBondContact OE2-NZ 3.41Å; K247-K249 PolarHBondContact O-N 2.91Å; K249-G251 PolarHBondContact O-N 2.85Å; K249-G251 VanDerWaalsContact O-N 3.08Å
250	I	79.1	Confident	82.6	Confident	23 Å²	23	63.5 Å²	63.5	12%	0.118	34%	0.336	C	S	.	.			trans	-83.5	82.8	179.1	-51.5	176.8	0	0	0	109.5	I245 K247 V252 A309 V314 F316	I245-I250 HydrophobicContact CG2-CG1 3.78Å; K247-I250 PolarHBondContact O-N 3.37Å; I250-V252 PolarHBondContact O-N 2.91Å; I250-A309 HydrophobicContact CD1-CB 3.76Å; I250-V314 WeakPolarHBondContact CD1-O 3.43Å; I250-F316 HydrophobicContact CD1-CB 3.83Å
251	G	82.6	Confident	83.8	Confident	75 Å²	75	62.9 Å²	62.9	77%	0.773	33%	0.327	S	S	*	.			trans	-78.2	32.9	179.3	0	0	0	0	0	115.5	K249	K249-G251 PolarHBondContact O-N 2.85Å; K249-G251 VanDerWaalsContact O-N 3.08Å
252	V	89.6	Confident	84.7	Confident	29 Å²	29	69.7 Å²	69.7	18%	0.176	36%	0.357	C	S	.	.			trans	-138	132.3	-178.8	-175.6	0	0	0	0	109.9	I250 D256 L303 A307	I250-V252 PolarHBondContact O-N 2.91Å; V252-D256 HydrophobicContact CG1-CB 4.3Å; V252-L303 HydrophobicContact CG1-CD1 3.72Å; V252-L303 HydrophobicContact CG1-CG 4.2Å; V252-L303 HydrophobicContact CG2-CD1 4.28Å; V252-A307 HydrophobicContact CG1-CB 4.07Å
253	R	89.3	Confident	85.4	Confident	145 Å²	145	68.8 Å²	68.8	55%	0.547	35%	0.351	S	S	.	.			trans	-127.7	173.2	179.8	-72.6	-175	-176.6	-174.2	-0.6	111.6	S255 D256 E311	R253-S255 PolarHBondContact O-N 3.42Å; R253-D256 PolarHBondContact N-OD2 2.95Å; R253-D256 PolarHBondContact O-N 2.94Å; R253-E311 HydrophobicContact CB-CG 4.5Å; R253-E311 WeakPolarHBondContact CB-OE1 3.36Å
254	F	89.2	Confident	85.7	Confident	19 Å²	19	61.9 Å²	61.9	8%	0.083	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-65.6	-15.7	174.8	-68.9	-32	0	0	0	112.7	D256 V257 I267 I268 V271 L304 A307 E311 W722	F254-D256 PolarHBondContact O-N 3.22Å; F254-V257 PolarHBondContact O-N 2.95Å; F254-I267 HydrophobicContact CE1-CG2 4.23Å; F254-I267 HydrophobicContact CZ-CG2 3.93Å; F254-I268 HydrophobicContact CD2-CG1 4.1Å; F254-I268 HydrophobicContact CE2-CD1 4.42Å; F254-I268 HydrophobicContact CE2-CG1 3.56Å; F254-I268 HydrophobicContact CZ-CG1 4.22Å; F254-V271 HydrophobicContact CE2-CG2 4.04Å; F254-V271 HydrophobicContact CZ-CG2 3.82Å; F254-L304 HydrophobicContact CD1-CD1 4.49Å; F254-L304 HydrophobicContact CE1-CD1 4.23Å; F254-A307 HydrophobicContact CD1-CB 3.65Å; F254-A307 HydrophobicContact CE1-CB 3.95Å; F254-E311 HydrophobicContact CB-CG 4.19Å; F254-E311 HydrophobicContact CD1-CG 4.22Å; F254-E311 HydrophobicContact CD2-CB 4.07Å; F254-E311 HydrophobicContact CD2-CG 3.56Å; F254-E311 HydrophobicContact CE2-CB 3.9Å; F254-E311 HydrophobicContact CE2-CG 3.89Å; F254-E311 HydrophobicContact CG-CG 3.72Å; F254-E311 HydrophobicContact CZ-CB 4.33Å; F254-E311 HydrophobicContact CZ-CG 4.35Å; F254-E311 PolarHBondContact N-OE1 2.89Å; F254-W722 AromaticContact CD2-CH2 3.97Å; F254-W722 HydrophobicContact CD2-CH2 3.97Å; F254-W722 HydrophobicContact CD2-CZ2 4.28Å; F254-W722 HydrophobicContact CE2-CH2 4.15Å
255	S	87.5	Confident	85.9	Confident	72 Å²	72	61.7 Å²	61.7	50%	0.503	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-65.1	-19.6	168.6	58.2	0	0	0	0	114.6	R253	R253-S255 PolarHBondContact O-N 3.42Å
256	D	89.5	Confident	86.2	Confident	57 Å²	57	62.3 Å²	62.3	31%	0.305	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-105.3	2.4	-174.1	-43.6	-38.6	0	0	0	111.5	V252 R253 F254	V252-D256 HydrophobicContact CG1-CB 4.3Å; R253-D256 PolarHBondContact N-OD2 2.95Å; R253-D256 PolarHBondContact O-N 2.94Å; F254-D256 PolarHBondContact O-N 3.22Å
257	V	90.6	Very high	86.6	Confident	11 Å²	11	58 Å²	58	7%	0.067	31%	0.307	C	S	.	.			trans	-116.8	141	173.9	-170.7	0	0	0	0	108.1	F254 K264 L303 L304 A307	F254-V257 PolarHBondContact O-N 2.95Å; V257-K264 WeakPolarHBondContact O-CE 3.26Å; V257-K264 PolarHBondContact O-NZ 2.88Å; V257-L303 HydrophobicContact CG2-CD2 4.04Å; V257-L303 HydrophobicContact CG2-CG 4.04Å; V257-L304 HydrophobicContact CG1-CD1 4.18Å; V257-A307 HydrophobicContact CG2-CB 3.8Å
258	A	90.4	Very high	87.1	Confident	15 Å²	15	53 Å²	53	12%	0.124	29%	0.285	C	S	.	.			trans	-154	169.6	176.6	0	0	0	0	0	111	C260 I432 I435	A258-C260 VanDerWaalsContact C-N 3.33Å; A258-I432 HydrophobicContact CB-CG1 4.01Å; A258-I432 WeakPolarHBondContact O-CG1 3.4Å; A258-I435 HydrophobicContact CB-CD1 3.65Å
259	G	85.4	Confident	87.5	Confident	10 Å²	10	50.1 Å²	50.1	10%	0.103	27%	0.267	C	S	.	.	S	Bend	trans	76	18	178.1	0	0	0	0	0	114.9	E711	G259-E711 WeakPolarHBondContact CA-OE1 3.29Å; G259-E711 PolarHBondContact N-OE1 2.76Å
260	C	88.1	Confident	87.7	Confident	11 Å²	11	43.4 Å²	43.4	7%	0.074	24%	0.238	C	C	.	.			trans	-152.8	42.8	-177.3	66.5	0	0	0	0	111.8	A258 E262 A263 K264 V421	A258-C260 VanDerWaalsContact C-N 3.33Å; C260-E262 VanDerWaalsContact C-N 3.3Å; C260-E262 PolarHBondContact O-N 3.48Å; C260-A263 HydrophobicContact CB-CB 4.31Å; C260-A263 PolarHBondContact O-N 2.74Å; C260-A263 VanDerWaalsContact O-N 3.15Å; C260-K264 PolarHBondContact O-N 3.01Å; C260-V421 HydrophobicContact CB-CG1 4.36Å
261	E	86.3	Confident	88.1	Confident	41 Å²	41	42.3 Å²	42.3	19%	0.192	23%	0.232	C	C	.	.	H	α-helix	trans	-61.3	-33.2	-173.6	-55.6	-47.4	118.5	0	0	113.6	K264 L265 E711	E261-K264 VanDerWaalsContact CD-NZ 3.32Å; E261-K264 PolarHBondContact O-N 2.66Å; E261-K264 WeakPolarHBondContact OE1-CE 3.32Å; E261-K264 IonicContact OE1-NZ 2.68Å; E261-K264 PolarHBondContact OE1-NZ 2.83Å; E261-K264 VanDerWaalsContact OE2-CD 3.22Å; E261-K264 WeakPolarHBondContact OE2-CD 3.27Å; E261-K264 IonicContact OE2-NZ 3.73Å; E261-K264 PolarHBondContact OE2-NZ 2.81Å; E261-K264 VanDerWaalsContact OE2-NZ 3.11Å; E261-L265 WeakPolarHBondContact O-CB 3.4Å; E261-L265 PolarHBondContact O-N 2.69Å; E261-E711 HydrophobicContact CG-CG 3.81Å
262	E	86.9	Confident	88.2	Confident	166 Å²	166	38.9 Å²	38.9	78%	0.776	20%	0.196	S	C	*	.	H	α-helix	trans	-60.9	-48.8	172.7	-60.3	-176.1	155.9	0	0	111.7	C260 K264 L265 E266	C260-E262 VanDerWaalsContact C-N 3.3Å; C260-E262 PolarHBondContact O-N 3.48Å; E262-K264 PolarHBondContact O-N 2.86Å; E262-L265 WeakPolarHBondContact O-CB 3.15Å; E262-L265 PolarHBondContact O-N 2.83Å; E262-L265 VanDerWaalsContact O-N 3.15Å; E262-E266 PolarHBondContact O-N 3.33Å
263	A	91.3	Very high	87.9	Confident	4 Å²	4	37.9 Å²	37.9	3%	0.033	19%	0.19	C	C	.	.	H	α-helix	trans	-67.3	-36	178.2	0	0	0	0	0	112.3	C260 L265 I267 L304 I419 V421	C260-A263 HydrophobicContact CB-CB 4.31Å; C260-A263 PolarHBondContact O-N 2.74Å; C260-A263 VanDerWaalsContact O-N 3.15Å; A263-L265 VanDerWaalsContact C-N 3.33Å; A263-I267 VanDerWaalsContact O-CG1 3.27Å; A263-I267 WeakPolarHBondContact O-CG1 3.5Å; A263-I267 PolarHBondContact O-N 3.47Å; A263-L304 HydrophobicContact CB-CD2 4.24Å; A263-I419 HydrophobicContact CB-CG2 3.61Å; A263-V421 HydrophobicContact CB-CG2 4.19Å
264	K	89.7	Confident	87.5	Confident	14 Å²	14	32 Å²	32	6%	0.061	17%	0.169	C	C	.	.	H	α-helix	trans	-62	-41.3	170.6	-75.4	172.9	174.7	177.6	0	111.2	V257 C260 E261 E262 E266 I267 I268 L304	V257-K264 WeakPolarHBondContact O-CE 3.26Å; V257-K264 PolarHBondContact O-NZ 2.88Å; C260-K264 PolarHBondContact O-N 3.01Å; E261-K264 VanDerWaalsContact CD-NZ 3.32Å; E261-K264 PolarHBondContact O-N 2.66Å; E261-K264 WeakPolarHBondContact OE1-CE 3.32Å; E261-K264 IonicContact OE1-NZ 2.68Å; E261-K264 PolarHBondContact OE1-NZ 2.83Å; E261-K264 VanDerWaalsContact OE2-CD 3.22Å; E261-K264 WeakPolarHBondContact OE2-CD 3.27Å; E261-K264 IonicContact OE2-NZ 3.73Å; E261-K264 PolarHBondContact OE2-NZ 2.81Å; E261-K264 VanDerWaalsContact OE2-NZ 3.11Å; E262-K264 PolarHBondContact O-N 2.86Å; K264-E266 PolarHBondContact O-N 3.22Å; K264-I267 CarbonylContact O-C 3.56Å; K264-I267 PolarHBondContact O-N 3Å; K264-I267 VanDerWaalsContact O-N 3.1Å; K264-I268 HydrophobicContact CB-CD1 4.42Å; K264-I268 WeakPolarHBondContact O-CD1 3.46Å; K264-I268 WeakPolarHBondContact O-CG1 3.44Å; K264-I268 PolarHBondContact O-N 3.33Å; K264-L304 HydrophobicContact CG-CD1 3.88Å
265	L	88.3	Confident	87.2	Confident	67 Å²	67	33.9 Å²	33.9	35%	0.351	18%	0.177	S	C	.	.	H	α-helix	trans	-60.6	-47.4	-176.7	-172.6	65.4	0	0	0	111.7	E261 E262 A263 I267 I268 L715 P716 L719	E261-L265 WeakPolarHBondContact O-CB 3.4Å; E261-L265 PolarHBondContact O-N 2.69Å; E262-L265 WeakPolarHBondContact O-CB 3.15Å; E262-L265 PolarHBondContact O-N 2.83Å; E262-L265 VanDerWaalsContact O-N 3.15Å; A263-L265 VanDerWaalsContact C-N 3.33Å; L265-I267 VanDerWaalsContact C-N 3.28Å; L265-I267 PolarHBondContact O-N 3.23Å; L265-I268 PolarHBondContact O-N 3.43Å; L265-L715 HydrophobicContact CD1-CD2 4.48Å; L265-P716 VanDerWaalsContact CD1-CD 3.43Å; L265-P716 HydrophobicContact CD1-CG 3.78Å; L265-P716 HydrophobicContact CD2-CG 4.32Å; L265-L719 HydrophobicContact CD1-CD1 3.93Å
266	E	89.3	Confident	87	Confident	64 Å²	64	32.7 Å²	32.7	30%	0.299	17%	0.165	S	C	.	.	H	α-helix	trans	-60.5	-36.8	173.9	-73.2	-163.2	-115.9	0	0	112.3	E262 K264 E269 F270 R417 I419	E262-E266 PolarHBondContact O-N 3.33Å; K264-E266 PolarHBondContact O-N 3.22Å; E266-E269 WeakPolarHBondContact O-CB 3.48Å; E266-E269 PolarHBondContact O-N 3.43Å; E266-F270 WeakPolarHBondContact O-CD2 3.29Å; E266-R417 IonicContact OE2-NH1 2.84Å; E266-I419 HydrophobicContact CB-CD1 3.83Å; E266-I419 HydrophobicContact CB-CG1 4.22Å; E266-I419 HydrophobicContact CB-CG2 4.46Å
267	I	90.3	Very high	86.5	Confident	1 Å²	1	31.6 Å²	31.6	1%	0.005	16%	0.161	C	C	.	.	H	α-helix	trans	-75.1	-31.9	-180	-70.7	176.8	0	0	0	112.6	F254 A263 K264 L265 E269 F270 V271 L293 L304 T308 I419	F254-I267 HydrophobicContact CE1-CG2 4.23Å; F254-I267 HydrophobicContact CZ-CG2 3.93Å; A263-I267 VanDerWaalsContact O-CG1 3.27Å; A263-I267 WeakPolarHBondContact O-CG1 3.5Å; A263-I267 PolarHBondContact O-N 3.47Å; K264-I267 CarbonylContact O-C 3.56Å; K264-I267 PolarHBondContact O-N 3Å; K264-I267 VanDerWaalsContact O-N 3.1Å; L265-I267 VanDerWaalsContact C-N 3.28Å; L265-I267 PolarHBondContact O-N 3.23Å; I267-E269 PolarHBondContact O-N 3.41Å; I267-F270 WeakPolarHBondContact O-CB 3.35Å; I267-F270 PolarHBondContact O-N 3.38Å; I267-V271 PolarHBondContact O-N 2.97Å; I267-L293 HydrophobicContact CD1-CD2 3.82Å; I267-L304 HydrophobicContact CD1-CD1 3.99Å; I267-L304 HydrophobicContact CD1-CD2 3.44Å; I267-L304 VanDerWaalsContact CD1-CD2 3.44Å; I267-L304 HydrophobicContact CD1-CG 3.45Å; I267-L304 VanDerWaalsContact CD1-CG 3.45Å; I267-T308 HydrophobicContact CG2-CG2 3.57Å; I267-T308 WeakPolarHBondContact CG2-OG1 3.43Å; I267-I419 HydrophobicContact CD1-CD1 4.19Å; I267-I419 HydrophobicContact CG1-CD1 3.48Å; I267-I419 VanDerWaalsContact CG1-CD1 3.48Å
268	I	89	Confident	86.1	Confident	8 Å²	8	35.7 Å²	35.7	4%	0.041	19%	0.186	C	C	.	.	H	α-helix	trans	-62.5	-26.6	175	-70.8	161	0	0	0	110.7	F254 K264 L265 F270 V271 N272 L715 L719 W722	F254-I268 HydrophobicContact CD2-CG1 4.1Å; F254-I268 HydrophobicContact CE2-CD1 4.42Å; F254-I268 HydrophobicContact CE2-CG1 3.56Å; F254-I268 HydrophobicContact CZ-CG1 4.22Å; K264-I268 HydrophobicContact CB-CD1 4.42Å; K264-I268 WeakPolarHBondContact O-CD1 3.46Å; K264-I268 WeakPolarHBondContact O-CG1 3.44Å; K264-I268 PolarHBondContact O-N 3.33Å; L265-I268 PolarHBondContact O-N 3.43Å; I268-F270 VanDerWaalsContact C-N 3.33Å; I268-F270 PolarHBondContact O-N 2.96Å; I268-V271 PolarHBondContact O-N 2.86Å; I268-N272 WeakPolarHBondContact O-CB 3.37Å; I268-N272 PolarHBondContact O-N 3.41Å; I268-L715 HydrophobicContact CD1-CD2 3.76Å; I268-L719 HydrophobicContact CB-CD1 4.5Å; I268-L719 HydrophobicContact CG2-CB 4.42Å; I268-L719 HydrophobicContact CG2-CD1 3.91Å; I268-L719 HydrophobicContact CG2-CD2 3.85Å; I268-L719 HydrophobicContact CG2-CG 4.27Å; I268-W722 HydrophobicContact CG2-CD2 4.35Å; I268-W722 HydrophobicContact CG2-CG 4.37Å
269	E	84.9	Confident	85.8	Confident	75 Å²	75	39.8 Å²	39.8	35%	0.35	20%	0.201	S	C	.	.	H	α-helix	trans	-58	-44	169.9	-57.9	-166.5	156.1	0	0	111.6	E266 I267 F273 R417	E266-E269 WeakPolarHBondContact O-CB 3.48Å; E266-E269 PolarHBondContact O-N 3.43Å; I267-E269 PolarHBondContact O-N 3.41Å; E269-F273 VanDerWaalsContact O-CB 3.3Å; E269-F273 WeakPolarHBondContact O-CB 3.42Å; E269-F273 PolarHBondContact O-N 2.78Å; E269-R417 IonicContact OE2-CZ 2.98Å; E269-R417 IonicContact OE2-NH1 2.74Å; E269-R417 IonicContact OE2-NH2 2.71Å; E269-R417 PolarHBondContact OE2-NH2 3.1Å
270	F	85.4	Confident	85.6	Confident	4 Å²	4	41.9 Å²	41.9	2%	0.018	21%	0.206	C	C	.	.	H	α-helix	trans	-67.5	-39.1	177.5	-66.4	-98.9	0	0	0	112.2	E266 I267 I268 F273 L274 P288 A291 V394 R417 I419	E266-F270 WeakPolarHBondContact O-CD2 3.29Å; I267-F270 WeakPolarHBondContact O-CB 3.35Å; I267-F270 PolarHBondContact O-N 3.38Å; I268-F270 VanDerWaalsContact C-N 3.33Å; I268-F270 PolarHBondContact O-N 2.96Å; F270-F273 PolarHBondContact O-N 3.2Å; F270-L274 WeakPolarHBondContact O-CG 3.48Å; F270-L274 PolarHBondContact O-N 3.19Å; F270-P288 HydrophobicContact CE1-CB 3.59Å; F270-P288 HydrophobicContact CE1-CG 4.37Å; F270-P288 HydrophobicContact CZ-CB 3.69Å; F270-P288 HydrophobicContact CZ-CG 4.32Å; F270-A291 HydrophobicContact CE1-CB 4.36Å; F270-A291 HydrophobicContact CE2-CB 4.14Å; F270-A291 HydrophobicContact CZ-CB 3.71Å; F270-V394 HydrophobicContact CD1-CG1 3.52Å; F270-V394 HydrophobicContact CD1-CG2 4.25Å; F270-V394 HydrophobicContact CE1-CG1 4.05Å; F270-V394 HydrophobicContact CG-CG1 4.4Å; F270-R417 HydrophobicContact CE2-CG 4.24Å; F270-R417 HydrophobicContact CZ-CB 4.15Å; F270-R417 HydrophobicContact CZ-CG 3.84Å; F270-I419 HydrophobicContact CE2-CD1 4.44Å
271	V	86.2	Confident	85.3	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-67.3	-45	177.3	179.4	0	0	0	0	111.3	F254 I267 I268 F273 L274 K275 T308 E311 A312 W722	F254-V271 HydrophobicContact CE2-CG2 4.04Å; F254-V271 HydrophobicContact CZ-CG2 3.82Å; I267-V271 PolarHBondContact O-N 2.97Å; I268-V271 PolarHBondContact O-N 2.86Å; V271-F273 VanDerWaalsContact C-N 3.3Å; V271-F273 PolarHBondContact O-N 3.21Å; V271-L274 PolarHBondContact O-N 3.34Å; V271-K275 HydrophobicContact CG1-CD 4.5Å; V271-K275 PolarHBondContact O-N 3.07Å; V271-T308 HydrophobicContact CG2-CG2 3.54Å; V271-E311 HydrophobicContact CG1-CB 4.19Å; V271-A312 HydrophobicContact CG1-CB 4.04Å; V271-W722 HydrophobicContact CB-CZ3 4.46Å; V271-W722 HydrophobicContact CG1-CE3 3.76Å; V271-W722 HydrophobicContact CG1-CZ3 3.47Å; V271-W722 VanDerWaalsContact CG1-CZ3 3.47Å
272	N	85.1	Confident	85.2	Confident	3 Å²	3	48.6 Å²	48.6	2%	0.016	25%	0.252	C	S	.	.	H	α-helix	trans	-67.6	-32.4	176.3	-177	54.7	0	0	0	111.7	I268 N276 Y280 L719 W722	I268-N272 WeakPolarHBondContact O-CB 3.37Å; I268-N272 PolarHBondContact O-N 3.41Å; N272-N276 WeakPolarHBondContact O-CB 3.15Å; N272-N276 PolarHBondContact O-N 2.84Å; N272-N276 PolarHBondContact OD1-ND2 2.98Å; N272-N276 VanDerWaalsContact OD1-ND2 3.11Å; N272-Y280 WeakPolarHBondContact ND2-CE2 3.38Å; N272-Y280 PolarHBondContact ND2-OH 2.94Å; N272-L719 HydrophobicContact CB-CD2 3.87Å; N272-W722 HydrophobicContact CB-CB 4.21Å
273	F	82.5	Confident	85.3	Confident	8 Å²	8	47.4 Å²	47.4	4%	0.035	25%	0.25	C	S	.	.	H	α-helix	trans	-61.2	-52.1	169.9	166.6	-108.4	0	0	0	111.6	E269 F270 V271 K275 N276 P277 Y280 I287	E269-F273 VanDerWaalsContact O-CB 3.3Å; E269-F273 WeakPolarHBondContact O-CB 3.42Å; E269-F273 PolarHBondContact O-N 2.78Å; F270-F273 PolarHBondContact O-N 3.2Å; V271-F273 VanDerWaalsContact C-N 3.3Å; V271-F273 PolarHBondContact O-N 3.21Å; F273-K275 VanDerWaalsContact C-N 3.25Å; F273-K275 PolarHBondContact O-N 3.45Å; F273-N276 CarbonylContact O-C 3.39Å; F273-N276 PolarHBondContact O-N 2.72Å; F273-P277 HydrophobicContact CD2-CB 4.27Å; F273-P277 HydrophobicContact CE2-CB 3.55Å; F273-P277 HydrophobicContact CZ-CB 4.16Å; F273-P277 WeakPolarHBondContact O-CA 3.09Å; F273-P277 WeakPolarHBondContact O-CD 3.46Å; F273-P277 VanDerWaalsContact O-N 3.08Å; F273-Y280 HydrophobicContact CB-CD2 4.2Å; F273-Y280 HydrophobicContact CB-CE2 4.02Å; F273-Y280 HydrophobicContact CD2-CD2 4.01Å; F273-Y280 HydrophobicContact CD2-CG 4.36Å; F273-I287 HydrophobicContact CD1-CG2 3.76Å; F273-I287 HydrophobicContact CD2-CD1 4.11Å; F273-I287 HydrophobicContact CD2-CG1 3.72Å; F273-I287 HydrophobicContact CD2-CG2 4.42Å; F273-I287 HydrophobicContact CE1-CB 4.44Å; F273-I287 HydrophobicContact CE1-CD1 4.36Å; F273-I287 HydrophobicContact CE1-CG1 4.21Å; F273-I287 HydrophobicContact CE1-CG2 3.4Å; F273-I287 VanDerWaalsContact CE1-CG2 3.4Å; F273-I287 HydrophobicContact CE2-CB 4.38Å; F273-I287 HydrophobicContact CE2-CD1 3.22Å; F273-I287 HydrophobicContact CE2-CG1 3.33Å; F273-I287 HydrophobicContact CE2-CG2 4.15Å; F273-I287 HydrophobicContact CG-CG1 4.35Å; F273-I287 HydrophobicContact CG-CG2 4.27Å; F273-I287 HydrophobicContact CZ-CB 4.23Å; F273-I287 HydrophobicContact CZ-CD1 3.38Å; F273-I287 HydrophobicContact CZ-CG1 3.6Å; F273-I287 HydrophobicContact CZ-CG2 3.64Å
274	L	82.2	Confident	84.9	Confident	22 Å²	22	50.2 Å²	50.2	12%	0.115	28%	0.28	C	S	.	.	H	α-helix	trans	-61	-32	179.4	-74	170.3	0	0	0	113.1	F270 V271 A312 V314 P348 I350 V394	F270-L274 WeakPolarHBondContact O-CG 3.48Å; F270-L274 PolarHBondContact O-N 3.19Å; V271-L274 PolarHBondContact O-N 3.34Å; L274-A312 HydrophobicContact CB-CB 4.33Å; L274-A312 HydrophobicContact CD1-CB 4Å; L274-V314 HydrophobicContact CD1-CG2 4.33Å; L274-P348 HydrophobicContact CD2-CB 4.29Å; L274-I350 HydrophobicContact CD1-CD1 3.94Å; L274-I350 HydrophobicContact CD1-CG1 3.91Å; L274-V394 HydrophobicContact CD1-CG2 4.17Å; L274-V394 HydrophobicContact CD2-CG2 4.04Å; L274-V394 HydrophobicContact CG-CG2 4.16Å
275	K	82.6	Confident	84.6	Confident	59 Å²	59	51.6 Å²	51.6	26%	0.257	29%	0.294	S	S	.	.	H	α-helix	trans	-77	-39.9	174.1	-73.4	-177.2	178.1	174.6	0	113.4	V271 F273 E311 W722 N723	V271-K275 HydrophobicContact CG1-CD 4.5Å; V271-K275 PolarHBondContact O-N 3.07Å; F273-K275 VanDerWaalsContact C-N 3.25Å; F273-K275 PolarHBondContact O-N 3.45Å; K275-E311 WeakPolarHBondContact CE-O 3.44Å; K275-E311 PolarHBondContact NZ-O 2.92Å; K275-W722 HydrophobicContact CD-CE3 4.42Å; K275-W722 VanDerWaalsContact CD-O 3.23Å; K275-W722 WeakPolarHBondContact CD-O 3.43Å; K275-W722 VanDerWaalsContact NZ-CZ3 3.35Å; K275-N723 PolarHBondContact NZ-OD1 3.03Å
276	N	82	Confident	84.1	Confident	47 Å²	47	57.7 Å²	57.7	25%	0.251	32%	0.318	S	S	.	.			trans	-133.6	61	-168.7	-63	-61.7	0	0	0	112.4	N272 F273 T278 K279	N272-N276 WeakPolarHBondContact O-CB 3.15Å; N272-N276 PolarHBondContact O-N 2.84Å; N272-N276 PolarHBondContact OD1-ND2 2.98Å; N272-N276 VanDerWaalsContact OD1-ND2 3.11Å; F273-N276 CarbonylContact O-C 3.39Å; F273-N276 PolarHBondContact O-N 2.72Å; N276-T278 VanDerWaalsContact C-N 3.3Å; N276-T278 PolarHBondContact O-N 2.77Å; N276-K279 HydrophobicContact CB-CB 4.33Å; N276-K279 WeakPolarHBondContact O-CB 3.37Å; N276-K279 PolarHBondContact O-N 2.63Å
277	P	79.9	Confident	83.5	Confident	33 Å²	33	55.8 Å²	55.8	21%	0.214	31%	0.309	C	S	.	.	H	α-helix	trans	-60.3	-39.4	-174.3	23.1	-33.7	0	0	0	112.5	F273 K279 Y280 E281	F273-P277 HydrophobicContact CD2-CB 4.27Å; F273-P277 HydrophobicContact CE2-CB 3.55Å; F273-P277 HydrophobicContact CZ-CB 4.16Å; F273-P277 WeakPolarHBondContact O-CA 3.09Å; F273-P277 WeakPolarHBondContact O-CD 3.46Å; F273-P277 VanDerWaalsContact O-N 3.08Å; P277-K279 PolarHBondContact O-N 3.44Å; P277-K279 VanDerWaalsContact O-N 3.14Å; P277-Y280 PolarHBondContact O-N 2.98Å; P277-E281 PolarHBondContact O-N 3.37Å
278	T	82.6	Confident	83	Confident	97 Å²	97	56.9 Å²	56.9	60%	0.595	32%	0.317	S	S	*	.	H	α-helix	trans	-58.1	-29.7	-179.5	57.3	0	0	0	0	113.8	N276 Y280 A282	N276-T278 VanDerWaalsContact C-N 3.3Å; N276-T278 PolarHBondContact O-N 2.77Å; T278-Y280 VanDerWaalsContact C-N 3.3Å; T278-Y280 PolarHBondContact O-N 2.99Å; T278-A282 WeakPolarHBondContact O-CB 3.27Å; T278-A282 PolarHBondContact O-N 3.4Å
279	K	83.4	Confident	82.7	Confident	101 Å²	101	59.7 Å²	59.7	44%	0.439	33%	0.327	S	S	.	.	H	α-helix	trans	-64.4	-35.3	176.4	-176.9	-178.2	178.1	-178.9	0	111.8	N276 P277 G718	N276-K279 HydrophobicContact CB-CB 4.33Å; N276-K279 WeakPolarHBondContact O-CB 3.37Å; N276-K279 PolarHBondContact O-N 2.63Å; P277-K279 PolarHBondContact O-N 3.44Å; P277-K279 VanDerWaalsContact O-N 3.14Å; K279-G718 PolarHBondContact NZ-O 3.45Å; K279-G718 VanDerWaalsContact NZ-O 3.11Å
280	Y	82.6	Confident	83	Confident	54 Å²	54	56.1 Å²	56.1	21%	0.212	31%	0.31	C	S	.	.	H	α-helix	trans	-84.9	-40.2	179.6	-67.6	-87.7	0	0	0	111.3	N272 F273 P277 T278 A282 L283 G284 A285	N272-Y280 WeakPolarHBondContact ND2-CE2 3.38Å; N272-Y280 PolarHBondContact ND2-OH 2.94Å; F273-Y280 HydrophobicContact CB-CD2 4.2Å; F273-Y280 HydrophobicContact CB-CE2 4.02Å; F273-Y280 HydrophobicContact CD2-CD2 4.01Å; F273-Y280 HydrophobicContact CD2-CG 4.36Å; P277-Y280 PolarHBondContact O-N 2.98Å; T278-Y280 VanDerWaalsContact C-N 3.3Å; T278-Y280 PolarHBondContact O-N 2.99Å; Y280-A282 PolarHBondContact O-N 3.32Å; Y280-L283 PolarHBondContact O-N 2.9Å; Y280-L283 VanDerWaalsContact O-N 3.15Å; Y280-G284 PolarHBondContact O-N 2.92Å; Y280-A285 HydrophobicContact CD1-CB 4.4Å; Y280-A285 WeakPolarHBondContact O-CB 3.45Å; Y280-A285 PolarHBondContact O-N 3.43Å
281	E	80.9	Confident	83.4	Confident	103 Å²	103	55.9 Å²	55.9	48%	0.481	31%	0.309	S	S	.	.	H	α-helix	trans	-59.9	-42.6	174.5	-67.2	176.5	153.6	0	0	112.3	P277 L283 G284	P277-E281 PolarHBondContact O-N 3.37Å; E281-L283 PolarHBondContact O-N 3.09Å; E281-G284 PolarHBondContact O-N 2.93Å
282	A	84.9	Confident	83.8	Confident	90 Å²	90	55.9 Å²	55.9	74%	0.744	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-22.3	177.4	0	0	0	0	0	113.9	T278 Y280	T278-A282 WeakPolarHBondContact O-CB 3.27Å; T278-A282 PolarHBondContact O-N 3.4Å; Y280-A282 PolarHBondContact O-N 3.32Å
283	L	87.4	Confident	84.3	Confident	141 Å²	141	55.8 Å²	55.8	74%	0.738	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	0.3	174.7	-64.9	173.8	0	0	0	112.7	Y280 E281 A285	Y280-L283 PolarHBondContact O-N 2.9Å; Y280-L283 VanDerWaalsContact O-N 3.15Å; E281-L283 PolarHBondContact O-N 3.09Å; L283-A285 PolarHBondContact O-N 3.42Å
284	G	83.6	Confident	84.9	Confident	64 Å²	64	57.5 Å²	57.5	66%	0.66	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.3	15.6	-172.9	0	0	0	0	0	113.9	Y280 E281 K286	Y280-G284 PolarHBondContact O-N 2.92Å; E281-G284 PolarHBondContact O-N 2.93Å; G284-K286 PolarHBondContact O-N 2.9Å
285	A	83.5	Confident	85.4	Confident	43 Å²	43	56.9 Å²	56.9	36%	0.355	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-71	124	-178.2	0	0	0	0	0	110.2	Y280 L283	Y280-A285 HydrophobicContact CD1-CB 4.4Å; Y280-A285 WeakPolarHBondContact O-CB 3.45Å; Y280-A285 PolarHBondContact O-N 3.43Å; L283-A285 PolarHBondContact O-N 3.42Å
286	K	76.7	Confident	85.8	Confident	194 Å²	194	55.9 Å²	55.9	84%	0.843	31%	0.314	S	S	*	.	P	Polyproline II helix	trans	-73.1	131.8	172.6	-69.3	-176	180	179.5	0	109.6	G284	G284-K286 PolarHBondContact O-N 2.9Å
287	I	77	Confident	86.3	Confident	25 Å²	25	57.9 Å²	57.9	13%	0.128	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-74.5	128.9	-178.4	-69.1	144.9	0	0	0	109.4	F273 R289 T389	F273-I287 HydrophobicContact CD1-CG2 3.76Å; F273-I287 HydrophobicContact CD2-CD1 4.11Å; F273-I287 HydrophobicContact CD2-CG1 3.72Å; F273-I287 HydrophobicContact CD2-CG2 4.42Å; F273-I287 HydrophobicContact CE1-CB 4.44Å; F273-I287 HydrophobicContact CE1-CD1 4.36Å; F273-I287 HydrophobicContact CE1-CG1 4.21Å; F273-I287 HydrophobicContact CE1-CG2 3.4Å; F273-I287 VanDerWaalsContact CE1-CG2 3.4Å; F273-I287 HydrophobicContact CE2-CB 4.38Å; F273-I287 HydrophobicContact CE2-CD1 3.22Å; F273-I287 HydrophobicContact CE2-CG1 3.33Å; F273-I287 HydrophobicContact CE2-CG2 4.15Å; F273-I287 HydrophobicContact CG-CG1 4.35Å; F273-I287 HydrophobicContact CG-CG2 4.27Å; F273-I287 HydrophobicContact CZ-CB 4.23Å; F273-I287 HydrophobicContact CZ-CD1 3.38Å; F273-I287 HydrophobicContact CZ-CG1 3.6Å; F273-I287 HydrophobicContact CZ-CG2 3.64Å; I287-R289 PolarHBondContact O-N 3.29Å; I287-T389 HydrophobicContact CB-CG2 4.16Å; I287-T389 HydrophobicContact CD1-CG2 3.36Å; I287-T389 HydrophobicContact CG1-CG2 4.24Å
288	P	80.8	Confident	86.9	Confident	24 Å²	24	57.8 Å²	57.8	16%	0.156	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-59.5	125.8	171.5	-24.4	35.9	0	0	0	110.2	F270 D416 R417	F270-P288 HydrophobicContact CE1-CB 3.59Å; F270-P288 HydrophobicContact CE1-CG 4.37Å; F270-P288 HydrophobicContact CZ-CB 3.69Å; F270-P288 HydrophobicContact CZ-CG 4.32Å; P288-D416 WeakPolarHBondContact CA-OD2 3.32Å; P288-D416 VanDerWaalsContact CB-OD2 3.32Å; P288-D416 WeakPolarHBondContact CB-OD2 3.21Å; P288-R417 HydrophobicContact CB-CG 4.23Å
289	R	83.2	Confident	87.4	Confident	66 Å²	66	54 Å²	54	25%	0.249	31%	0.311	C	S	.	.			trans	-80	-30.8	-176.3	-74.5	176.3	175.6	-161.7	4.7	111.4	I287 M384 D385 F387 V395 G413 D416	I287-R289 PolarHBondContact O-N 3.29Å; R289-M384 HydrophobicContact CB-CE 4.46Å; R289-M384 PolarHBondContact NH1-O 3.1Å; R289-D385 VanDerWaalsContact NH1-C 3.33Å; R289-D385 PolarHBondContact NH1-O 3.3Å; R289-F387 PolarHBondContact NE-O 2.95Å; R289-F387 PolarHBondContact NH1-O 3.16Å; R289-F387 PolarHBondContact NH2-O 2.95Å; R289-V395 PolarHBondContact O-N 2.84Å; R289-G413 WeakPolarHBondContact CD-O 3.42Å; R289-D416 PolarHBondContact N-OD1 3.46Å
290	G	90.3	Very high	87.8	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.2	155.7	175.4	0	0	0	0	0	115.1	V395 R414 F415 D416 R417	G290-V395 CarbonylContact C-O 3.59Å; G290-V395 WeakPolarHBondContact CA-O 3.47Å; G290-R414 PolarHBondContact N-O 3.19Å; G290-F415 CarbonylContact O-C 3.54Å; G290-F415 WeakPolarHBondContact O-CA 3.14Å; G290-D416 PolarHBondContact N-OD1 2.8Å; G290-D416 PolarHBondContact O-N 2.71Å; G290-D416 VanDerWaalsContact O-N 3.12Å; G290-R417 PolarHBondContact O-N 3.15Å
291	A	93.4	Very high	88.3	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	139.6	174.2	0	0	0	0	0	110.8	F270 V395 L396 A397 R417 I419	F270-A291 HydrophobicContact CE1-CB 4.36Å; F270-A291 HydrophobicContact CE2-CB 4.14Å; F270-A291 HydrophobicContact CZ-CB 3.71Å; A291-V395 PolarHBondContact N-O 3.42Å; A291-L396 HydrophobicContact CB-CD2 3.81Å; A291-L396 WeakPolarHBondContact O-CA 3.26Å; A291-A397 PolarHBondContact O-N 2.95Å; A291-R417 CarbonylContact C-O 3.53Å; A291-R417 WeakPolarHBondContact CA-O 3.37Å; A291-R417 HydrophobicContact CB-CB 3.88Å; A291-I419 HydrophobicContact CB-CD1 3.96Å; A291-I419 HydrophobicContact CB-CG1 4.34Å
292	I	94.7	Very high	88.9	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	121	168.9	-168.1	166.2	0	0	0	110.3	I356 A397 T399 L405 L410 F415 R417 Q418 I419	I292-I356 HydrophobicContact CD1-CG2 3.92Å; I292-A397 CarbonylContact C-O 3.53Å; I292-A397 WeakPolarHBondContact CA-O 3.4Å; I292-A397 HydrophobicContact CG1-CB 4.18Å; I292-T399 HydrophobicContact CD1-CG2 3.87Å; I292-T399 HydrophobicContact CG1-CG2 4.16Å; I292-L405 HydrophobicContact CD1-CD1 3.34Å; I292-L410 HydrophobicContact CD1-CD2 4.47Å; I292-L410 HydrophobicContact CG2-CD2 4Å; I292-F415 HydrophobicContact CB-CB 4.34Å; I292-F415 HydrophobicContact CB-CD1 4.45Å; I292-F415 HydrophobicContact CB-CG 4.46Å; I292-F415 HydrophobicContact CG2-CB 4.44Å; I292-R417 PolarHBondContact N-O 3.25Å; I292-Q418 HydrophobicContact CG2-CB 4.06Å; I292-Q418 HydrophobicContact CG2-CG 3.78Å; I292-Q418 CarbonylContact O-C 3.53Å; I292-I419 PolarHBondContact O-N 3.4Å
293	L	95.9	Very high	89.3	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	108.4	171.8	-51.3	-175.6	0	0	0	107.9	I267 K301 A305 A397 A398 T399 I419 V421	I267-L293 HydrophobicContact CD1-CD2 3.82Å; L293-K301 HydrophobicContact CB-CB 4.19Å; L293-K301 HydrophobicContact CB-CD 4.15Å; L293-K301 HydrophobicContact CB-CG 4.2Å; L293-K301 HydrophobicContact CD1-CB 4.31Å; L293-K301 VanDerWaalsContact CD1-O 3.32Å; L293-K301 WeakPolarHBondContact CD1-O 3.38Å; L293-K301 WeakPolarHBondContact O-CD 3.43Å; L293-A305 HydrophobicContact CD1-CB 4.2Å; L293-A397 PolarHBondContact N-O 3.48Å; L293-A398 HydrophobicContact CB-CB 4.5Å; L293-A398 WeakPolarHBondContact O-CA 3.46Å; L293-T399 PolarHBondContact O-N 3.37Å; L293-I419 WeakPolarHBondContact CA-O 3.46Å; L293-I419 HydrophobicContact CD2-CB 3.96Å; L293-I419 HydrophobicContact CD2-CD1 4.19Å; L293-I419 HydrophobicContact CD2-CG1 4.47Å; L293-I419 HydrophobicContact CD2-CG2 4.43Å; L293-V421 HydrophobicContact CB-CG2 4.49Å
294	K	94.3	Very high	89.6	Confident	45 Å²	45	37.8 Å²	37.8	20%	0.196	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	143.5	-179.8	53.9	174.8	-176.6	-170.7	0	110.5	T399 V402 Q418 I419 Y420 V421	K294-T399 HydrophobicContact CB-CG2 4.1Å; K294-V402 HydrophobicContact CB-CB 4.3Å; K294-V402 HydrophobicContact CD-CB 4.3Å; K294-V402 HydrophobicContact CD-CG1 4.27Å; K294-V402 HydrophobicContact CD-CG2 4.13Å; K294-Q418 HydrophobicContact CD-CB 4.39Å; K294-Q418 WeakPolarHBondContact CE-O 3.35Å; K294-I419 WeakPolarHBondContact CG-O 3.09Å; K294-I419 PolarHBondContact N-O 3.07Å; K294-Y420 HydrophobicContact CG-CD2 4.2Å; K294-Y420 CarbonylContact O-C 3.57Å; K294-Y420 WeakPolarHBondContact O-CA 3.4Å; K294-Y420 WeakPolarHBondContact O-CD2 3.19Å; K294-V421 PolarHBondContact O-N 2.79Å
295	G	92.6	Very high	90	Very high	8 Å²	8	34.8 Å²	34.8	8%	0.082	20%	0.2	C	C	.	.	S	Bend	trans	155	177.9	175.6	0	0	0	0	0	112.9	K301 T399 N400	G295-K301 PolarHBondContact O-NZ 2.83Å; G295-T399 PolarHBondContact N-O 3.04Å; G295-N400 WeakPolarHBondContact O-CA 3.32Å
296	P	92.4	Very high	90.4	Very high	38 Å²	38	36.2 Å²	36.2	25%	0.247	20%	0.199	C	C	.	.			trans	-56.1	158	179.4	-25.9	35.8	0	0	0	113.9	T299 K301 L423	P296-T299 HydrophobicContact CB-CG2 3.98Å; P296-T299 HydrophobicContact CG-CG2 4.37Å; P296-T299 PolarHBondContact O-OG1 3.32Å; P296-T299 VanDerWaalsContact O-OG1 3.11Å; P296-K301 PolarHBondContact O-NZ 2.87Å; P296-L423 HydrophobicContact CG-CG 4.3Å
297	P	92.5	Very high	91.2	Very high	89 Å²	89	27 Å²	27	58%	0.578	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	153.7	169.9	28.6	-35.2	0	0	0	110.7	T299 N400	P297-T299 VanDerWaalsContact C-N 3.27Å; P297-T299 PolarHBondContact O-N 3.39Å; P297-N400 WeakPolarHBondContact CA-OD1 3.32Å
298	G	91.8	Very high	91.9	Very high	32 Å²	32	25.8 Å²	25.8	33%	0.33	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.3	-3.3	176.5	0	0	0	0	0	116.6	G300 G462 A463	G298-G300 PolarHBondContact O-N 3.44Å; G298-G462 PolarHBondContact O-N 2.68Å; G298-A463 PolarHBondContact O-N 2.69Å
299	T	93.2	Very high	92.3	Very high	16 Å²	16	24.7 Å²	24.7	10%	0.098	15%	0.145	C	C	.	.	S	Bend	trans	-78	4.6	179	63.1	0	0	0	0	115	P296 P297 V421 S422 L423	P296-T299 HydrophobicContact CB-CG2 3.98Å; P296-T299 HydrophobicContact CG-CG2 4.37Å; P296-T299 PolarHBondContact O-OG1 3.32Å; P296-T299 VanDerWaalsContact O-OG1 3.11Å; P297-T299 VanDerWaalsContact C-N 3.27Å; P297-T299 PolarHBondContact O-N 3.39Å; T299-V421 WeakPolarHBondContact O-CG1 3.3Å; T299-V421 PolarHBondContact OG1-O 3.4Å; T299-S422 WeakPolarHBondContact CB-O 3.44Å; T299-S422 VanDerWaalsContact CG2-O 3.26Å; T299-S422 WeakPolarHBondContact CG2-O 3.45Å; T299-L423 HydrophobicContact CG2-CD2 4.04Å
300	G	92.3	Very high	92.7	Very high	26 Å²	26	21.9 Å²	21.9	27%	0.268	14%	0.137	S	C	.	.			trans	87.1	12.7	173.9	0	0	0	0	0	116.2	G298 T302 L303 L304	G298-G300 PolarHBondContact O-N 3.44Å; G300-T302 PolarHBondContact O-N 2.97Å; G300-L303 CarbonylContact O-C 3.54Å; G300-L303 WeakPolarHBondContact O-CA 3.49Å; G300-L303 VanDerWaalsContact O-CB 3.31Å; G300-L303 WeakPolarHBondContact O-CB 3.37Å; G300-L303 PolarHBondContact O-N 3Å; G300-L304 WeakPolarHBondContact O-CB 3.48Å; G300-L304 PolarHBondContact O-N 3.34Å
301	K	93.9	Very high	92.6	Very high	12 Å²	12	22.9 Å²	22.9	5%	0.052	14%	0.141	C	C	.	.	H	α-helix	trans	-43.7	-53.5	177.1	-61.8	-172.4	-71	-88.4	0	113.9	L293 G295 P296 L303 L304 A305 A398 T399 N400 V421	L293-K301 HydrophobicContact CB-CB 4.19Å; L293-K301 HydrophobicContact CB-CD 4.15Å; L293-K301 HydrophobicContact CB-CG 4.2Å; L293-K301 HydrophobicContact CD1-CB 4.31Å; L293-K301 VanDerWaalsContact CD1-O 3.32Å; L293-K301 WeakPolarHBondContact CD1-O 3.38Å; L293-K301 WeakPolarHBondContact O-CD 3.43Å; G295-K301 PolarHBondContact O-NZ 2.83Å; P296-K301 PolarHBondContact O-NZ 2.87Å; K301-L303 VanDerWaalsContact C-N 3.31Å; K301-L303 PolarHBondContact O-N 2.95Å; K301-L304 PolarHBondContact O-N 3.43Å; K301-A305 PolarHBondContact O-N 3.23Å; K301-A398 HydrophobicContact CB-CB 4.25Å; K301-A398 HydrophobicContact CD-CB 4.45Å; K301-T399 VanDerWaalsContact CE-O 3.23Å; K301-T399 WeakPolarHBondContact CE-O 3.32Å; K301-T399 PolarHBondContact NZ-O 2.9Å; K301-N400 PolarHBondContact NZ-OD1 2.96Å; K301-V421 HydrophobicContact CG-CB 4.13Å; K301-V421 HydrophobicContact CG-CG2 4.13Å
302	T	92.3	Very high	92.3	Very high	43 Å²	43	23.3 Å²	23.3	26%	0.264	15%	0.145	S	C	.	.	H	α-helix	trans	-68.9	-26.3	179	-43.5	0	0	0	0	113.2	G300 K306 F352 D354	G300-T302 PolarHBondContact O-N 2.97Å; T302-K306 WeakPolarHBondContact O-CG 3.37Å; T302-K306 PolarHBondContact O-N 3.17Å; T302-F352 HydrophobicContact CG2-CE1 3.68Å; T302-F352 HydrophobicContact CG2-CZ 4.08Å; T302-D354 WeakPolarHBondContact CG2-OD2 3.45Å; T302-D354 PolarHBondContact OG1-OD2 2.82Å
303	L	93	Very high	92	Very high	69 Å²	69	28.5 Å²	28.5	36%	0.361	17%	0.173	S	C	.	.	H	α-helix	trans	-74.4	-44.3	175	-172.6	73.1	0	0	0	110.6	V252 V257 G300 K301 K306 A307	V252-L303 HydrophobicContact CG1-CD1 3.72Å; V252-L303 HydrophobicContact CG1-CG 4.2Å; V252-L303 HydrophobicContact CG2-CD1 4.28Å; V257-L303 HydrophobicContact CG2-CD2 4.04Å; V257-L303 HydrophobicContact CG2-CG 4.04Å; G300-L303 CarbonylContact O-C 3.54Å; G300-L303 WeakPolarHBondContact O-CA 3.49Å; G300-L303 VanDerWaalsContact O-CB 3.31Å; G300-L303 WeakPolarHBondContact O-CB 3.37Å; G300-L303 PolarHBondContact O-N 3Å; K301-L303 VanDerWaalsContact C-N 3.31Å; K301-L303 PolarHBondContact O-N 2.95Å; L303-K306 PolarHBondContact O-N 3.24Å; L303-A307 WeakPolarHBondContact O-CB 3.3Å; L303-A307 PolarHBondContact O-N 3.14Å
304	L	94	Very high	91.7	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-62.2	-42.7	177.1	-177.7	60.4	0	0	0	111.6	F254 V257 A263 K264 I267 G300 K301 K306 A307 T308 V421	F254-L304 HydrophobicContact CD1-CD1 4.49Å; F254-L304 HydrophobicContact CE1-CD1 4.23Å; V257-L304 HydrophobicContact CG1-CD1 4.18Å; A263-L304 HydrophobicContact CB-CD2 4.24Å; K264-L304 HydrophobicContact CG-CD1 3.88Å; I267-L304 HydrophobicContact CD1-CD1 3.99Å; I267-L304 HydrophobicContact CD1-CD2 3.44Å; I267-L304 VanDerWaalsContact CD1-CD2 3.44Å; I267-L304 HydrophobicContact CD1-CG 3.45Å; I267-L304 VanDerWaalsContact CD1-CG 3.45Å; G300-L304 WeakPolarHBondContact O-CB 3.48Å; G300-L304 PolarHBondContact O-N 3.34Å; K301-L304 PolarHBondContact O-N 3.43Å; L304-K306 PolarHBondContact O-N 3.01Å; L304-A307 PolarHBondContact O-N 3.17Å; L304-T308 PolarHBondContact O-N 3.18Å; L304-T308 PolarHBondContact O-OG1 3.22Å; L304-V421 HydrophobicContact CD2-CG2 4.09Å
305	A	92.9	Very high	91.6	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-61	-40.6	172.8	0	0	0	0	0	113	L293 K301 T308 A309 F316 F352 L396	L293-A305 HydrophobicContact CD1-CB 4.2Å; K301-A305 PolarHBondContact O-N 3.23Å; A305-T308 WeakPolarHBondContact O-CB 3.4Å; A305-T308 PolarHBondContact O-N 3.28Å; A305-A309 PolarHBondContact O-N 2.78Å; A305-F316 HydrophobicContact CB-CE2 4.22Å; A305-F316 HydrophobicContact CB-CZ 4.38Å; A305-F316 WeakPolarHBondContact O-CE2 3.32Å; A305-F352 HydrophobicContact CB-CD2 3.41Å; A305-F352 VanDerWaalsContact CB-CD2 3.41Å; A305-F352 HydrophobicContact CB-CE2 3.48Å; A305-F352 VanDerWaalsContact CB-CE2 3.48Å; A305-F352 HydrophobicContact CB-CG 4.09Å; A305-F352 HydrophobicContact CB-CZ 4.21Å; A305-L396 HydrophobicContact CB-CD1 4.06Å
306	K	91.9	Very high	91.7	Very high	73 Å²	73	27.9 Å²	27.9	32%	0.317	17%	0.172	S	C	.	.	H	α-helix	trans	-67.2	-43.3	174.7	-74.4	171.8	-179.6	177.3	0	112.3	T302 L303 L304 T308 A309 G310 F316	T302-K306 WeakPolarHBondContact O-CG 3.37Å; T302-K306 PolarHBondContact O-N 3.17Å; L303-K306 PolarHBondContact O-N 3.24Å; L304-K306 PolarHBondContact O-N 3.01Å; K306-T308 VanDerWaalsContact C-N 3.25Å; K306-T308 PolarHBondContact O-N 3.02Å; K306-A309 PolarHBondContact O-N 2.85Å; K306-G310 PolarHBondContact O-N 3.46Å; K306-F316 HydrophobicContact CG-CD1 4.29Å; K306-F316 HydrophobicContact CG-CE1 3.66Å; K306-F316 HydrophobicContact CG-CE2 4.36Å; K306-F316 HydrophobicContact CG-CZ 3.7Å
307	A	91.9	Very high	91.7	Very high	0 Å²	0	26 Å²	26	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-59.2	-38.2	175.4	0	0	0	0	0	111.6	V252 F254 V257 L303 L304 A309 G310 E311	V252-A307 HydrophobicContact CG1-CB 4.07Å; F254-A307 HydrophobicContact CD1-CB 3.65Å; F254-A307 HydrophobicContact CE1-CB 3.95Å; V257-A307 HydrophobicContact CG2-CB 3.8Å; L303-A307 WeakPolarHBondContact O-CB 3.3Å; L303-A307 PolarHBondContact O-N 3.14Å; L304-A307 PolarHBondContact O-N 3.17Å; A307-A309 VanDerWaalsContact C-N 3.32Å; A307-A309 PolarHBondContact O-N 3.25Å; A307-G310 PolarHBondContact O-N 2.88Å; A307-E311 WeakPolarHBondContact O-CB 3.49Å; A307-E311 VanDerWaalsContact O-CG 3.23Å; A307-E311 WeakPolarHBondContact O-CG 3.34Å; A307-E311 PolarHBondContact O-N 2.89Å
308	T	91.9	Very high	91.8	Very high	1 Å²	1	23 Å²	23	1%	0.006	14%	0.141	C	C	.	.	H	α-helix	trans	-55.3	-46.1	174.8	-48.3	0	0	0	0	111.6	I267 V271 L304 A305 K306 A312 I350 L396	I267-T308 HydrophobicContact CG2-CG2 3.57Å; I267-T308 WeakPolarHBondContact CG2-OG1 3.43Å; V271-T308 HydrophobicContact CG2-CG2 3.54Å; L304-T308 PolarHBondContact O-N 3.18Å; L304-T308 PolarHBondContact O-OG1 3.22Å; A305-T308 WeakPolarHBondContact O-CB 3.4Å; A305-T308 PolarHBondContact O-N 3.28Å; K306-T308 VanDerWaalsContact C-N 3.25Å; K306-T308 PolarHBondContact O-N 3.02Å; T308-A312 VanDerWaalsContact O-CB 3.3Å; T308-A312 WeakPolarHBondContact O-CB 3.38Å; T308-A312 PolarHBondContact O-N 2.87Å; T308-I350 HydrophobicContact CG2-CD1 3.59Å; T308-L396 HydrophobicContact CG2-CD1 4.4Å
309	A	90.8	Very high	91.8	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-72.1	-37.3	178.8	0	0	0	0	0	113	I250 A305 K306 A307 E311 A312 N313 V314 F316 I350	I250-A309 HydrophobicContact CD1-CB 3.76Å; A305-A309 PolarHBondContact O-N 2.78Å; K306-A309 PolarHBondContact O-N 2.85Å; A307-A309 VanDerWaalsContact C-N 3.32Å; A307-A309 PolarHBondContact O-N 3.25Å; A309-E311 VanDerWaalsContact C-N 3.3Å; A309-E311 PolarHBondContact O-N 2.86Å; A309-A312 PolarHBondContact O-N 2.79Å; A309-N313 PolarHBondContact O-N 3.45Å; A309-V314 HydrophobicContact CB-CG2 4.4Å; A309-V314 PolarHBondContact O-N 3.47Å; A309-F316 HydrophobicContact CB-CB 3.8Å; A309-F316 HydrophobicContact CB-CD2 3.7Å; A309-F316 HydrophobicContact CB-CG 4.14Å; A309-I350 HydrophobicContact CB-CB 4.46Å; A309-I350 HydrophobicContact CB-CD1 4.04Å
310	G	90.5	Very high	91.8	Very high	7 Å²	7	21.9 Å²	21.9	7%	0.072	13%	0.128	C	C	.	.	H	α-helix	trans	-64.6	-33.1	174.9	0	0	0	0	0	113.1	K306 A307 N313	K306-G310 PolarHBondContact O-N 3.46Å; A307-G310 PolarHBondContact O-N 2.88Å; G310-N313 PolarHBondContact O-OD1 3.34Å
311	E	89.1	Confident	91.5	Very high	21 Å²	21	20.6 Å²	20.6	10%	0.098	12%	0.116	C	C	.	.	H	α-helix	trans	-84.6	-27.7	178.4	-68	-76.7	-168.4	0	0	112.9	R253 F254 V271 K275 A307 A309 W722	R253-E311 HydrophobicContact CB-CG 4.5Å; R253-E311 WeakPolarHBondContact CB-OE1 3.36Å; F254-E311 HydrophobicContact CB-CG 4.19Å; F254-E311 HydrophobicContact CD1-CG 4.22Å; F254-E311 HydrophobicContact CD2-CB 4.07Å; F254-E311 HydrophobicContact CD2-CG 3.56Å; F254-E311 HydrophobicContact CE2-CB 3.9Å; F254-E311 HydrophobicContact CE2-CG 3.89Å; F254-E311 HydrophobicContact CG-CG 3.72Å; F254-E311 HydrophobicContact CZ-CB 4.33Å; F254-E311 HydrophobicContact CZ-CG 4.35Å; F254-E311 PolarHBondContact N-OE1 2.89Å; V271-E311 HydrophobicContact CG1-CB 4.19Å; K275-E311 WeakPolarHBondContact CE-O 3.44Å; K275-E311 PolarHBondContact NZ-O 2.92Å; A307-E311 WeakPolarHBondContact O-CB 3.49Å; A307-E311 VanDerWaalsContact O-CG 3.23Å; A307-E311 WeakPolarHBondContact O-CG 3.34Å; A307-E311 PolarHBondContact O-N 2.89Å; A309-E311 VanDerWaalsContact C-N 3.3Å; A309-E311 PolarHBondContact O-N 2.86Å; E311-W722 HydrophobicContact CB-CH2 3.94Å; E311-W722 HydrophobicContact CB-CZ3 4.02Å; E311-W722 HydrophobicContact CG-CH2 4.22Å; E311-W722 WeakPolarHBondContact OE2-CH2 3.42Å
312	A	87.5	Confident	91.2	Very high	10 Å²	10	22.8 Å²	22.8	8%	0.083	13%	0.132	C	C	.	.	H	α-helix	trans	-80.8	-13.2	170.7	0	0	0	0	0	113.7	V271 L274 T308 A309 V314	V271-A312 HydrophobicContact CG1-CB 4.04Å; L274-A312 HydrophobicContact CB-CB 4.33Å; L274-A312 HydrophobicContact CD1-CB 4Å; T308-A312 VanDerWaalsContact O-CB 3.3Å; T308-A312 WeakPolarHBondContact O-CB 3.38Å; T308-A312 PolarHBondContact O-N 2.87Å; A309-A312 PolarHBondContact O-N 2.79Å; A312-V314 VanDerWaalsContact C-N 3.27Å; A312-V314 HydrophobicContact CB-CG1 4.26Å; A312-V314 HydrophobicContact CB-CG2 3.88Å; A312-V314 PolarHBondContact O-N 3.48Å
313	N	87.7	Confident	91	Very high	108 Å²	108	23 Å²	23	58%	0.578	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.9	32.6	-173.5	-70	-42.8	0	0	0	114.4	A309 G310	A309-N313 PolarHBondContact O-N 3.45Å; G310-N313 PolarHBondContact O-OD1 3.34Å
314	V	89.9	Confident	90.6	Very high	9 Å²	9	19.7 Å²	19.7	6%	0.055	11%	0.113	C	C	.	.			trans	-109.5	157.5	-179	-62.1	0	0	0	0	112.2	I250 L274 A309 A312 P348 I350	I250-V314 WeakPolarHBondContact CD1-O 3.43Å; L274-V314 HydrophobicContact CD1-CG2 4.33Å; A309-V314 HydrophobicContact CB-CG2 4.4Å; A309-V314 PolarHBondContact O-N 3.47Å; A312-V314 VanDerWaalsContact C-N 3.27Å; A312-V314 HydrophobicContact CB-CG1 4.26Å; A312-V314 HydrophobicContact CB-CG2 3.88Å; A312-V314 PolarHBondContact O-N 3.48Å; V314-P348 HydrophobicContact CG1-CB 4.31Å; V314-P348 HydrophobicContact CG1-CG 4.24Å; V314-I350 HydrophobicContact CG2-CD1 4.1Å; V314-I350 HydrophobicContact CG2-CG1 3.85Å
315	P	92.1	Very high	89.9	Confident	31 Å²	31	23.1 Å²	23.1	20%	0.201	13%	0.131	C	C	.	.			trans	-59.2	143.4	172.5	-21.3	33.7	0	0	0	112.2	L244 L317 P348 C349 I350	L244-P315 HydrophobicContact CD1-CB 4.19Å; P315-L317 HydrophobicContact CB-CD1 4.28Å; P315-P348 WeakPolarHBondContact CD-O 3.43Å; P315-C349 HydrophobicContact CB-CB 4.22Å; P315-C349 WeakPolarHBondContact O-CB 3.43Å; P315-I350 PolarHBondContact O-N 2.81Å
316	F	93.7	Very high	89.2	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	116.5	177.5	-176.8	-102.2	0	0	0	110	I245 I250 A305 K306 A309 I350 F352	I245-F316 HydrophobicContact CB-CB 4.36Å; I245-F316 HydrophobicContact CD1-CD1 4.03Å; I245-F316 HydrophobicContact CG1-CD1 4.41Å; I245-F316 PolarHBondContact N-O 3.45Å; I245-F316 PolarHBondContact O-N 2.82Å; I250-F316 HydrophobicContact CD1-CB 3.83Å; A305-F316 HydrophobicContact CB-CE2 4.22Å; A305-F316 HydrophobicContact CB-CZ 4.38Å; A305-F316 WeakPolarHBondContact O-CE2 3.32Å; K306-F316 HydrophobicContact CG-CD1 4.29Å; K306-F316 HydrophobicContact CG-CE1 3.66Å; K306-F316 HydrophobicContact CG-CE2 4.36Å; K306-F316 HydrophobicContact CG-CZ 3.7Å; A309-F316 HydrophobicContact CB-CB 3.8Å; A309-F316 HydrophobicContact CB-CD2 3.7Å; A309-F316 HydrophobicContact CB-CG 4.14Å; F316-I350 HydrophobicContact CD2-CB 4.32Å; F316-I350 HydrophobicContact CD2-CG2 4.03Å; F316-I350 HydrophobicContact CE2-CG2 4.2Å; F316-F352 HydrophobicContact CD2-CB 4.48Å; F316-F352 HydrophobicContact CE1-CB 4.26Å; F316-F352 HydrophobicContact CE2-CB 3.52Å; F316-F352 HydrophobicContact CE2-CG 4.1Å; F316-F352 HydrophobicContact CZ-CB 3.39Å; F316-F352 AromaticContact CZ-CD1 3.83Å; F316-F352 HydrophobicContact CZ-CD1 3.83Å; F316-F352 AromaticContact CZ-CG 3.67Å; F316-F352 HydrophobicContact CZ-CG 3.67Å
317	L	93.3	Very high	88.2	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	120.5	177.2	-75.9	69	0	0	0	107.9	V242 L244 P315 A343 K346 C349 I350 L351 F352	V242-L317 HydrophobicContact CG1-CB 3.77Å; V242-L317 HydrophobicContact CG1-CD2 3.96Å; V242-L317 HydrophobicContact CG1-CG 3.84Å; L244-L317 HydrophobicContact CD1-CD1 3.68Å; L244-L317 HydrophobicContact CD1-CG 4.07Å; P315-L317 HydrophobicContact CB-CD1 4.28Å; L317-A343 HydrophobicContact CD2-CB 3.86Å; L317-K346 HydrophobicContact CD1-CD 4.2Å; L317-C349 HydrophobicContact CD1-CB 4.02Å; L317-I350 PolarHBondContact N-O 3.38Å; L317-L351 HydrophobicContact CB-CD1 3.75Å; L317-L351 HydrophobicContact CD2-CD1 4.44Å; L317-F352 PolarHBondContact O-N 3.12Å
318	S	93.2	Very high	87.2	Confident	24 Å²	24	37.8 Å²	37.8	17%	0.168	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	134.1	-178.2	-172.4	0	0	0	0	111.9	R243	R243-S318 PolarHBondContact N-O 2.86Å; R243-S318 PolarHBondContact O-N 3.48Å
319	V	93.1	Very high	86.5	Confident	2 Å²	2	42.7 Å²	42.7	1%	0.012	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	144.1	175.9	-173.9	0	0	0	0	109.1	P241 V242 F324 M339 F352 I353 D354	P241-V319 HydrophobicContact CB-CG1 4.32Å; P241-V319 HydrophobicContact CG-CG1 3.92Å; V242-V319 HydrophobicContact CB-CG2 4.25Å; V242-V319 HydrophobicContact CG1-CG2 4.45Å; V242-V319 HydrophobicContact CG2-CG2 3.8Å; V319-F324 HydrophobicContact CG1-CD2 4.42Å; V319-F324 HydrophobicContact CG1-CE2 3.51Å; V319-F324 HydrophobicContact CG1-CZ 3.59Å; V319-M339 HydrophobicContact CB-SD 4.32Å; V319-M339 HydrophobicContact CG2-CG 4.23Å; V319-M339 HydrophobicContact CG2-SD 3.83Å; V319-F352 PolarHBondContact N-O 3.32Å; V319-I353 WeakPolarHBondContact O-CA 3.41Å; V319-D354 PolarHBondContact O-N 3.02Å
320	S	92.6	Very high	85.9	Confident	23 Å²	23	44.4 Å²	44.4	16%	0.161	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	138.1	166.8	171.3	0	0	0	0	110.4	S322 E323	S320-S322 PolarHBondContact O-N 3.39Å; S320-S322 VanDerWaalsContact O-N 3.1Å; S320-S322 PolarHBondContact OG-N 3.22Å; S320-S322 PolarHBondContact OG-OG 3.23Å; S320-E323 PolarHBondContact N-OE2 2.87Å; S320-E323 WeakPolarHBondContact O-CB 3.19Å; S320-E323 PolarHBondContact O-N 3.03Å
321	G	87.2	Confident	85.7	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-54.3	-28.3	172.9	0	0	0	0	0	113.1	E323 D354	G321-E323 VanDerWaalsContact C-N 3.32Å; G321-E323 PolarHBondContact O-N 3.42Å; G321-D354 PolarHBondContact N-O 2.89Å
322	S	86.9	Confident	85.6	Confident	58 Å²	58	44.4 Å²	44.4	41%	0.406	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-67.5	-26.5	175.1	69.5	0	0	0	0	114	S320 F324 L325	S320-S322 PolarHBondContact O-N 3.39Å; S320-S322 VanDerWaalsContact O-N 3.1Å; S320-S322 PolarHBondContact OG-N 3.22Å; S320-S322 PolarHBondContact OG-OG 3.23Å; S322-F324 PolarHBondContact O-N 2.9Å; S322-L325 PolarHBondContact O-N 3.26Å
323	E	86.9	Confident	85.7	Confident	46 Å²	46	44.7 Å²	44.7	22%	0.215	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-73.8	-6.3	-177.6	-66.7	169.7	148.2	0	0	113.1	P241 R243 S320 G321 R335	P241-E323 HydrophobicContact CB-CB 3.89Å; P241-E323 HydrophobicContact CG-CB 4.47Å; R243-E323 IonicContact CZ-OE1 3.65Å; R243-E323 IonicContact NE-OE1 3.35Å; R243-E323 IonicContact NH2-OE1 3.46Å; R243-E323 PolarHBondContact NH2-OE1 3.42Å; S320-E323 PolarHBondContact N-OE2 2.87Å; S320-E323 WeakPolarHBondContact O-CB 3.19Å; S320-E323 PolarHBondContact O-N 3.03Å; G321-E323 VanDerWaalsContact C-N 3.32Å; G321-E323 PolarHBondContact O-N 3.42Å; E323-R335 PolarHBondContact O-NH1 2.85Å
324	F	84.9	Confident	85.8	Confident	1 Å²	1	43.7 Å²	43.7	0%	0.004	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-92.1	-18.7	175.1	-63.9	-77.4	0	0	0	114.6	V319 S322 G332 R335 V336 M339 I359 T376	V319-F324 HydrophobicContact CG1-CD2 4.42Å; V319-F324 HydrophobicContact CG1-CE2 3.51Å; V319-F324 HydrophobicContact CG1-CZ 3.59Å; S322-F324 PolarHBondContact O-N 2.9Å; F324-G332 WeakPolarHBondContact O-CA 3.41Å; F324-R335 HydrophobicContact CD1-CB 3.75Å; F324-R335 HydrophobicContact CE1-CB 3.86Å; F324-V336 HydrophobicContact CD1-CG2 3.68Å; F324-V336 HydrophobicContact CE1-CB 4.37Å; F324-V336 HydrophobicContact CE1-CG2 3.55Å; F324-V336 HydrophobicContact CZ-CG2 4.29Å; F324-M339 HydrophobicContact CZ-CE 4.11Å; F324-M339 HydrophobicContact CZ-SD 3.72Å; F324-I359 HydrophobicContact CB-CG2 3.78Å; F324-I359 HydrophobicContact CD2-CD1 4.01Å; F324-I359 HydrophobicContact CD2-CG2 4.22Å; F324-I359 HydrophobicContact CE2-CD1 4.24Å; F324-I359 HydrophobicContact CG-CG2 4.34Å; F324-T376 HydrophobicContact CB-CG2 3.88Å; F324-T376 HydrophobicContact CD1-CG2 4.4Å; F324-T376 HydrophobicContact CG-CG2 4.26Å
325	L	80.7	Confident	85.8	Confident	72 Å²	72	44.5 Å²	44.5	38%	0.377	24%	0.242	S	C	.	.			trans	-89.7	109.5	-174.6	-60.7	177.1	0	0	0	110.5	S322 A358 I359 E372 R373	S322-L325 PolarHBondContact O-N 3.26Å; L325-A358 HydrophobicContact CD1-CB 4.24Å; L325-I359 HydrophobicContact CD2-CG2 4.18Å; L325-I359 HydrophobicContact CG-CG2 4.48Å; L325-E372 WeakPolarHBondContact CD2-OE2 3.27Å; L325-R373 HydrophobicContact CD2-CB 4.19Å; L325-R373 HydrophobicContact CD2-CG 4.18Å
326	E	77.6	Confident	85.8	Confident	62 Å²	62	43 Å²	43	29%	0.29	23%	0.232	S	C	.	.			trans	-130.6	163.6	177.9	-71.3	-156.7	164.8	0	0	114.1	F328 R335 E372	E326-F328 PolarHBondContact O-N 2.94Å; E326-F328 VanDerWaalsContact O-N 3.16Å; E326-R335 VanDerWaalsContact CD-CZ 3.49Å; E326-R335 IonicContact OE1-CZ 3.66Å; E326-R335 IonicContact OE1-NH1 2.71Å; E326-R335 PolarHBondContact OE1-NH1 3.16Å; E326-R335 IonicContact OE1-NH2 3.27Å; E326-R335 PolarHBondContact OE1-NH2 3.49Å; E326-R335 IonicContact OE2-CZ 3.42Å; E326-R335 IonicContact OE2-NH1 2.69Å; E326-R335 IonicContact OE2-NH2 3.58Å; E326-R335 PolarHBondContact OE2-NH2 3.22Å; E326-R335 VanDerWaalsContact OE2-NH2 3.09Å; E326-E372 PolarHBondContact N-OE1 2.68Å
327	M	70.2	Confident	85.7	Confident	190 Å²	190	48.4 Å²	48.4	94%	0.936	25%	0.253	S	S	*	.	S	Bend	trans	-65.3	-14.5	176.3	-65.8	-173.7	173.8	0	0	113.6
328	F	71.7	Confident	85.5	Confident	128 Å²	128	50.8 Å²	50.8	56%	0.561	27%	0.265	S	S	*	.	S	Bend	trans	-105.5	107.7	-177.4	-63.3	-67.9	0	0	0	111.2	E326 G330 V331	E326-F328 PolarHBondContact O-N 2.94Å; E326-F328 VanDerWaalsContact O-N 3.16Å; F328-G330 PolarHBondContact O-N 2.79Å; F328-V331 HydrophobicContact CB-CG2 3.77Å; F328-V331 WeakPolarHBondContact O-CG2 3.47Å; F328-V331 PolarHBondContact O-N 3.18Å
329	V	75.9	Confident	85.4	Confident	105 Å²	105	49.6 Å²	49.6	64%	0.636	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	129.3	176.9	-174.8	0	0	0	0	110.4
330	G	80	Confident	85.3	Confident	36 Å²	36	49.5 Å²	49.5	37%	0.371	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	99.1	-11.5	177.8	0	0	0	0	0	115.1	F328 K334	F328-G330 PolarHBondContact O-N 2.79Å; G330-K334 PolarHBondContact O-N 3.17Å
331	V	84.9	Confident	85.2	Confident	27 Å²	27	50 Å²	50	16%	0.164	26%	0.263	C	S	.	.	H	α-helix	trans	-69.6	-45.7	173.1	179.5	0	0	0	0	111.2	F328 K334 R335	F328-V331 HydrophobicContact CB-CG2 3.77Å; F328-V331 WeakPolarHBondContact O-CG2 3.47Å; F328-V331 PolarHBondContact O-N 3.18Å; V331-K334 WeakPolarHBondContact O-CB 3.39Å; V331-K334 PolarHBondContact O-N 3.43Å; V331-R335 HydrophobicContact CG1-CG 4.33Å; V331-R335 PolarHBondContact O-N 2.9Å
332	G	87.3	Confident	85.3	Confident	0 Å²	0	51 Å²	51	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-50.8	-57	175.5	0	0	0	0	0	114	F324 K334 R335 V336	F324-G332 WeakPolarHBondContact O-CA 3.41Å; G332-K334 PolarHBondContact O-N 3.34Å; G332-K334 VanDerWaalsContact O-N 3.17Å; G332-R335 PolarHBondContact O-N 3.08Å; G332-R335 VanDerWaalsContact O-N 3.08Å; G332-V336 WeakPolarHBondContact O-CG2 3.39Å; G332-V336 PolarHBondContact O-N 3.33Å
333	P	89.6	Confident	85.5	Confident	16 Å²	16	48.3 Å²	48.3	10%	0.104	25%	0.25	C	S	.	.	H	α-helix	trans	-61	-23.2	176.2	-25	34.4	0	0	0	114.9	R337 N375 T376 Q379	P333-R337 PolarHBondContact O-NE 3.04Å; P333-N375 HydrophobicContact CG-CB 4.09Å; P333-T376 WeakPolarHBondContact CD-OG1 3.39Å; P333-Q379 HydrophobicContact CB-CB 4.02Å; P333-Q379 HydrophobicContact CB-CG 4.28Å
334	K	90.3	Very high	85.5	Confident	88 Å²	88	50.9 Å²	50.9	38%	0.383	26%	0.258	S	S	.	.	H	α-helix	trans	-75.1	-47.6	171.5	-166.6	-158.3	169	-147.7	0	110.6	G238 G330 V331 G332 V336 R337 D338	G238-K334 PolarHBondContact O-NZ 2.95Å; G330-K334 PolarHBondContact O-N 3.17Å; V331-K334 WeakPolarHBondContact O-CB 3.39Å; V331-K334 PolarHBondContact O-N 3.43Å; G332-K334 PolarHBondContact O-N 3.34Å; G332-K334 VanDerWaalsContact O-N 3.17Å; K334-V336 VanDerWaalsContact C-N 3.26Å; K334-V336 PolarHBondContact O-N 3.5Å; K334-R337 WeakPolarHBondContact O-CB 3.35Å; K334-R337 PolarHBondContact O-N 3.03Å; K334-R337 VanDerWaalsContact O-N 3.09Å; K334-D338 WeakPolarHBondContact CE-OD2 3.28Å; K334-D338 IonicContact NZ-OD2 3.52Å; K334-D338 PolarHBondContact NZ-OD2 2.82Å; K334-D338 PolarHBondContact O-N 3.49Å
335	R	90.1	Very high	85.8	Confident	25 Å²	25	57.2 Å²	57.2	9%	0.094	29%	0.292	C	S	.	.	H	α-helix	trans	-58	-37.3	177.4	-72.5	-178.7	-178.1	168.4	10.3	112.7	F237 P241 E323 F324 E326 V331 G332 D338 M339	F237-R335 PolarHBondContact O-NH2 3.02Å; P241-R335 HydrophobicContact CG-CB 4.39Å; E323-R335 PolarHBondContact O-NH1 2.85Å; F324-R335 HydrophobicContact CD1-CB 3.75Å; F324-R335 HydrophobicContact CE1-CB 3.86Å; E326-R335 VanDerWaalsContact CD-CZ 3.49Å; E326-R335 IonicContact OE1-CZ 3.66Å; E326-R335 IonicContact OE1-NH1 2.71Å; E326-R335 PolarHBondContact OE1-NH1 3.16Å; E326-R335 IonicContact OE1-NH2 3.27Å; E326-R335 PolarHBondContact OE1-NH2 3.49Å; E326-R335 IonicContact OE2-CZ 3.42Å; E326-R335 IonicContact OE2-NH1 2.69Å; E326-R335 IonicContact OE2-NH2 3.58Å; E326-R335 PolarHBondContact OE2-NH2 3.22Å; E326-R335 VanDerWaalsContact OE2-NH2 3.09Å; V331-R335 HydrophobicContact CG1-CG 4.33Å; V331-R335 PolarHBondContact O-N 2.9Å; G332-R335 PolarHBondContact O-N 3.08Å; G332-R335 VanDerWaalsContact O-N 3.08Å; R335-D338 PolarHBondContact O-N 3.28Å; R335-M339 VanDerWaalsContact O-CB 3.23Å; R335-M339 WeakPolarHBondContact O-CB 3.47Å; R335-M339 PolarHBondContact O-N 3.04Å
336	V	91.3	Very high	86.2	Confident	0 Å²	0	57 Å²	57	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-61.8	-47	174.9	174.4	0	0	0	0	111.1	F324 G332 K334 M339 F340 T376 Q379 L380 E383	F324-V336 HydrophobicContact CD1-CG2 3.68Å; F324-V336 HydrophobicContact CE1-CB 4.37Å; F324-V336 HydrophobicContact CE1-CG2 3.55Å; F324-V336 HydrophobicContact CZ-CG2 4.29Å; G332-V336 WeakPolarHBondContact O-CG2 3.39Å; G332-V336 PolarHBondContact O-N 3.33Å; K334-V336 VanDerWaalsContact C-N 3.26Å; K334-V336 PolarHBondContact O-N 3.5Å; V336-M339 HydrophobicContact CG1-CE 4.41Å; V336-M339 WeakPolarHBondContact O-CB 3.41Å; V336-M339 PolarHBondContact O-N 2.77Å; V336-F340 HydrophobicContact CG1-CD2 3.84Å; V336-F340 HydrophobicContact CG1-CE2 3.79Å; V336-F340 VanDerWaalsContact O-CD2 3.25Å; V336-F340 WeakPolarHBondContact O-CD2 3.18Å; V336-F340 PolarHBondContact O-N 3.08Å; V336-F340 VanDerWaalsContact O-N 3.08Å; V336-T376 HydrophobicContact CG2-CG2 3.82Å; V336-Q379 HydrophobicContact CB-CB 4.47Å; V336-Q379 HydrophobicContact CB-CG 4.1Å; V336-Q379 HydrophobicContact CG1-CB 4.31Å; V336-Q379 HydrophobicContact CG1-CG 3.92Å; V336-L380 HydrophobicContact CG1-CB 4.18Å; V336-E383 HydrophobicContact CG1-CG 4.19Å
337	R	90.9	Very high	86.5	Confident	114 Å²	114	56.3 Å²	56.3	43%	0.43	29%	0.293	S	S	.	.	H	α-helix	trans	-62.4	-47.2	175.7	-78.9	177.6	-72.3	154.3	-6.2	112.5	P333 K334 M339 F340 A341 Q379 E383	P333-R337 PolarHBondContact O-NE 3.04Å; K334-R337 WeakPolarHBondContact O-CB 3.35Å; K334-R337 PolarHBondContact O-N 3.03Å; K334-R337 VanDerWaalsContact O-N 3.09Å; R337-M339 VanDerWaalsContact C-N 3.26Å; R337-M339 PolarHBondContact O-N 3.2Å; R337-F340 PolarHBondContact O-N 2.98Å; R337-A341 WeakPolarHBondContact O-CB 3.22Å; R337-A341 PolarHBondContact O-N 3.02Å; R337-Q379 HydrophobicContact CG-CG 4.07Å; R337-E383 WeakPolarHBondContact CG-OE1 3.38Å
338	D	90.8	Very high	87.4	Confident	49 Å²	49	50.2 Å²	50.2	26%	0.262	27%	0.267	S	S	.	.	H	α-helix	trans	-63.7	-33.3	179.7	-62.8	-16.2	0	0	0	111.3	K334 R335 S342	K334-D338 WeakPolarHBondContact CE-OD2 3.28Å; K334-D338 IonicContact NZ-OD2 3.52Å; K334-D338 PolarHBondContact NZ-OD2 2.82Å; K334-D338 PolarHBondContact O-N 3.49Å; R335-D338 PolarHBondContact O-N 3.28Å; D338-S342 WeakPolarHBondContact O-CB 3.47Å; D338-S342 PolarHBondContact O-N 3.41Å; D338-S342 PolarHBondContact O-OG 3.39Å
339	M	91.3	Very high	88.3	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-65.1	-50.3	172.8	170.7	-173.1	74.2	0	0	112.3	V242 V319 F324 R335 V336 R337 S342 A343 L351 I353	V242-M339 HydrophobicContact CG2-CB 3.84Å; V242-M339 HydrophobicContact CG2-CG 3.9Å; V319-M339 HydrophobicContact CB-SD 4.32Å; V319-M339 HydrophobicContact CG2-CG 4.23Å; V319-M339 HydrophobicContact CG2-SD 3.83Å; F324-M339 HydrophobicContact CZ-CE 4.11Å; F324-M339 HydrophobicContact CZ-SD 3.72Å; R335-M339 VanDerWaalsContact O-CB 3.23Å; R335-M339 WeakPolarHBondContact O-CB 3.47Å; R335-M339 PolarHBondContact O-N 3.04Å; V336-M339 HydrophobicContact CG1-CE 4.41Å; V336-M339 WeakPolarHBondContact O-CB 3.41Å; V336-M339 PolarHBondContact O-N 2.77Å; R337-M339 VanDerWaalsContact C-N 3.26Å; R337-M339 PolarHBondContact O-N 3.2Å; M339-S342 WeakPolarHBondContact O-CB 3.07Å; M339-S342 PolarHBondContact O-N 3.05Å; M339-A343 PolarHBondContact O-N 3.18Å; M339-L351 HydrophobicContact CE-CD2 4.03Å; M339-L351 HydrophobicContact CG-CD1 3.74Å; M339-L351 HydrophobicContact CG-CD2 4.02Å; M339-L351 HydrophobicContact SD-CD1 3.92Å; M339-L351 HydrophobicContact SD-CD2 4.04Å; M339-L351 HydrophobicContact SD-CG 4.42Å; M339-I353 HydrophobicContact CE-CD1 4.08Å; M339-I353 HydrophobicContact SD-CD1 4.45Å; M339-I353 HydrophobicContact SD-CG1 4.46Å
340	F	91	Very high	89.1	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-73.7	-27.6	-179.3	-75.1	-64.8	0	0	0	113.4	V336 R337 A343 R344 L351 L380 E383 M384 F387 V395	V336-F340 HydrophobicContact CG1-CD2 3.84Å; V336-F340 HydrophobicContact CG1-CE2 3.79Å; V336-F340 VanDerWaalsContact O-CD2 3.25Å; V336-F340 WeakPolarHBondContact O-CD2 3.18Å; V336-F340 PolarHBondContact O-N 3.08Å; V336-F340 VanDerWaalsContact O-N 3.08Å; R337-F340 PolarHBondContact O-N 2.98Å; F340-A343 PolarHBondContact O-N 2.8Å; F340-R344 WeakPolarHBondContact O-CG 3.3Å; F340-R344 PolarHBondContact O-N 3.45Å; F340-R344 VanDerWaalsContact O-N 3.11Å; F340-R344 PolarHBondContact O-NE 3.46Å; F340-L351 HydrophobicContact CD1-CD2 3.56Å; F340-L351 HydrophobicContact CE1-CD2 3.36Å; F340-L351 HydrophobicContact CZ-CD2 4.14Å; F340-L380 HydrophobicContact CE2-CD1 3.53Å; F340-L380 HydrophobicContact CZ-CD1 3.54Å; F340-E383 HydrophobicContact CB-CB 4.45Å; F340-E383 HydrophobicContact CD2-CB 3.32Å; F340-E383 HydrophobicContact CD2-CG 3.59Å; F340-E383 HydrophobicContact CE2-CB 3.49Å; F340-E383 VanDerWaalsContact CE2-CB 3.49Å; F340-E383 HydrophobicContact CE2-CG 4.09Å; F340-E383 HydrophobicContact CG-CB 3.96Å; F340-E383 HydrophobicContact CG-CG 4.37Å; F340-E383 HydrophobicContact CZ-CB 4.25Å; F340-M384 HydrophobicContact CE1-SD 4.22Å; F340-M384 HydrophobicContact CZ-CG 4.28Å; F340-M384 HydrophobicContact CZ-SD 3.92Å; F340-F387 HydrophobicContact CB-CE2 4.39Å; F340-F387 HydrophobicContact CB-CZ 4.19Å; F340-F387 AromaticContact CD1-CE2 3.27Å; F340-F387 HydrophobicContact CD1-CE2 3.27Å; F340-F387 AromaticContact CD1-CZ 3.38Å; F340-F387 HydrophobicContact CD1-CZ 3.38Å; F340-F387 HydrophobicContact CE1-CD2 4.48Å; F340-F387 AromaticContact CE1-CE2 3.47Å; F340-F387 HydrophobicContact CE1-CE2 3.47Å; F340-F387 VanDerWaalsContact CE1-CE2 3.47Å; F340-F387 AromaticContact CE1-CZ 3.97Å; F340-F387 HydrophobicContact CE1-CZ 3.97Å; F340-F387 AromaticContact CG-CE2 3.94Å; F340-F387 HydrophobicContact CG-CE2 3.94Å; F340-F387 HydrophobicContact CG-CZ 4.09Å; F340-F387 HydrophobicContact CZ-CE2 4.31Å; F340-V395 HydrophobicContact CE1-CG2 4.06Å
341	A	90	Very high	89.7	Confident	34 Å²	34	37.4 Å²	37.4	28%	0.281	19%	0.193	S	C	.	.	H	α-helix	trans	-59.5	-51.8	164.1	0	0	0	0	0	110.5	R337 A343 R344 D345	R337-A341 WeakPolarHBondContact O-CB 3.22Å; R337-A341 PolarHBondContact O-N 3.02Å; A341-A343 PolarHBondContact O-N 3.4Å; A341-A343 VanDerWaalsContact O-N 3.11Å; A341-R344 PolarHBondContact O-N 3.02Å; A341-R344 VanDerWaalsContact O-N 3.11Å; A341-D345 VanDerWaalsContact O-CG 3.28Å; A341-D345 PolarHBondContact O-N 2.98Å
342	S	89.7	Confident	90.2	Very high	21 Å²	21	36.1 Å²	36.1	15%	0.147	19%	0.185	C	C	.	.	H	α-helix	trans	-59.9	-25	178.7	-60	0	0	0	0	114.6	D338 M339 K346	D338-S342 WeakPolarHBondContact O-CB 3.47Å; D338-S342 PolarHBondContact O-N 3.41Å; D338-S342 PolarHBondContact O-OG 3.39Å; M339-S342 WeakPolarHBondContact O-CB 3.07Å; M339-S342 PolarHBondContact O-N 3.05Å; S342-K346 WeakPolarHBondContact O-CD 3.35Å
343	A	90.2	Very high	90.6	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-79.6	-44.4	175.2	0	0	0	0	0	112.1	L317 M339 F340 A341 D345 K346 A347 C349 L351 V393	L317-A343 HydrophobicContact CD2-CB 3.86Å; M339-A343 PolarHBondContact O-N 3.18Å; F340-A343 PolarHBondContact O-N 2.8Å; A341-A343 PolarHBondContact O-N 3.4Å; A341-A343 VanDerWaalsContact O-N 3.11Å; A343-D345 PolarHBondContact O-N 3.3Å; A343-K346 CarbonylContact O-C 3.57Å; A343-K346 PolarHBondContact O-N 3.39Å; A343-K346 VanDerWaalsContact O-N 3.13Å; A343-A347 PolarHBondContact O-N 3.38Å; A343-C349 PolarHBondContact O-SG 3.14Å; A343-L351 HydrophobicContact CB-CD2 4.45Å; A343-V393 HydrophobicContact CB-CG1 4.14Å; A343-V393 HydrophobicContact CB-CG2 4.48Å
344	R	88.1	Confident	90.8	Very high	100 Å²	100	37.2 Å²	37.2	38%	0.377	19%	0.19	S	C	.	.	H	α-helix	trans	-60.6	-42.9	174.5	-74.6	178.2	-72.7	-165.7	-10.7	112	F340 A341 K346 A347 E383 F387 E391	F340-R344 WeakPolarHBondContact O-CG 3.3Å; F340-R344 PolarHBondContact O-N 3.45Å; F340-R344 VanDerWaalsContact O-N 3.11Å; F340-R344 PolarHBondContact O-NE 3.46Å; A341-R344 PolarHBondContact O-N 3.02Å; A341-R344 VanDerWaalsContact O-N 3.11Å; R344-K346 PolarHBondContact O-N 3.29Å; R344-A347 WeakPolarHBondContact O-CB 3.24Å; R344-A347 PolarHBondContact O-N 3.12Å; R344-E383 IonicContact NH2-OE2 2.77Å; R344-E383 PolarHBondContact NH2-OE2 3.01Å; R344-F387 HydrophobicContact CG-CE1 4.03Å; R344-F387 HydrophobicContact CG-CZ 4.44Å; R344-E391 WeakPolarHBondContact CD-OE2 3.34Å; R344-E391 WeakPolarHBondContact CG-OE2 3.34Å
345	D	89.6	Confident	90.9	Very high	134 Å²	134	37.3 Å²	37.3	72%	0.717	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-16.4	176.5	-65.9	-19.7	0	0	0	114	A341 A343	A341-D345 VanDerWaalsContact O-CG 3.28Å; A341-D345 PolarHBondContact O-N 2.98Å; A343-D345 PolarHBondContact O-N 3.3Å
346	K	89.1	Confident	91.1	Very high	69 Å²	69	36.1 Å²	36.1	30%	0.3	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.5	12.2	-175	-64.3	175.9	-171	138.6	0	113.2	L244 L317 S342 A343 R344 P348 C349	L244-K346 HydrophobicContact CD1-CD 3.61Å; L244-K346 HydrophobicContact CD2-CD 4.08Å; L244-K346 HydrophobicContact CG-CD 4.47Å; L317-K346 HydrophobicContact CD1-CD 4.2Å; S342-K346 WeakPolarHBondContact O-CD 3.35Å; A343-K346 CarbonylContact O-C 3.57Å; A343-K346 PolarHBondContact O-N 3.39Å; A343-K346 VanDerWaalsContact O-N 3.13Å; R344-K346 PolarHBondContact O-N 3.29Å; K346-P348 CarbonylContact O-C 3.58Å; K346-C349 HydrophobicContact CB-CB 4.43Å; K346-C349 WeakPolarHBondContact O-CB 3.42Å
347	A	85.4	Confident	91	Very high	47 Å²	47	37.8 Å²	37.8	39%	0.388	20%	0.196	S	C	.	.			trans	-58.9	140.8	177.8	0	0	0	0	0	111.9	A343 R344 E391 V393	A343-A347 PolarHBondContact O-N 3.38Å; R344-A347 WeakPolarHBondContact O-CB 3.24Å; R344-A347 PolarHBondContact O-N 3.12Å; A347-E391 WeakPolarHBondContact CB-O 3.41Å; A347-V393 HydrophobicContact CB-CG2 4.27Å
348	P	88	Confident	90.9	Very high	61 Å²	61	33.6 Å²	33.6	40%	0.396	19%	0.186	S	C	.	.	S	Bend	cis	-72.8	133.1	-5.7	30.6	-34.7	0	0	0	111.8	L274 V314 P315 K346 N392	L274-P348 HydrophobicContact CD2-CB 4.29Å; V314-P348 HydrophobicContact CG1-CB 4.31Å; V314-P348 HydrophobicContact CG1-CG 4.24Å; P315-P348 WeakPolarHBondContact CD-O 3.43Å; K346-P348 CarbonylContact O-C 3.58Å; P348-N392 WeakPolarHBondContact CA-O 3.36Å; P348-N392 HydrophobicContact CB-CB 3.97Å
349	C	90.7	Very high	90.8	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	166	177.9	73.6	0	0	0	0	113.3	P315 L317 A343 K346 N392 V394	P315-C349 HydrophobicContact CB-CB 4.22Å; P315-C349 WeakPolarHBondContact O-CB 3.43Å; L317-C349 HydrophobicContact CD1-CB 4.02Å; A343-C349 PolarHBondContact O-SG 3.14Å; K346-C349 HydrophobicContact CB-CB 4.43Å; K346-C349 WeakPolarHBondContact O-CB 3.42Å; C349-N392 PolarHBondContact N-O 3.38Å; C349-V394 PolarHBondContact O-N 2.91Å; C349-V394 VanDerWaalsContact O-N 3.11Å
350	I	92.5	Very high	90.4	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	124.6	170.8	-65.5	-179.5	0	0	0	109.1	L274 T308 A309 V314 P315 F316 L317 V394 L396	L274-I350 HydrophobicContact CD1-CD1 3.94Å; L274-I350 HydrophobicContact CD1-CG1 3.91Å; T308-I350 HydrophobicContact CG2-CD1 3.59Å; A309-I350 HydrophobicContact CB-CB 4.46Å; A309-I350 HydrophobicContact CB-CD1 4.04Å; V314-I350 HydrophobicContact CG2-CD1 4.1Å; V314-I350 HydrophobicContact CG2-CG1 3.85Å; P315-I350 PolarHBondContact O-N 2.81Å; F316-I350 HydrophobicContact CD2-CB 4.32Å; F316-I350 HydrophobicContact CD2-CG2 4.03Å; F316-I350 HydrophobicContact CE2-CG2 4.2Å; L317-I350 PolarHBondContact N-O 3.38Å; I350-V394 WeakPolarHBondContact CA-O 3.42Å; I350-V394 HydrophobicContact CG1-CB 4.38Å; I350-L396 HydrophobicContact CG2-CD1 3.78Å; I350-L396 HydrophobicContact CG2-CG 4.02Å
351	L	93.6	Very high	89.9	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	120.9	171.8	177.4	63.4	0	0	0	109.2	L317 M339 F340 A343 V393 V394 V395 L396	L317-L351 HydrophobicContact CB-CD1 3.75Å; L317-L351 HydrophobicContact CD2-CD1 4.44Å; M339-L351 HydrophobicContact CE-CD2 4.03Å; M339-L351 HydrophobicContact CG-CD1 3.74Å; M339-L351 HydrophobicContact CG-CD2 4.02Å; M339-L351 HydrophobicContact SD-CD1 3.92Å; M339-L351 HydrophobicContact SD-CD2 4.04Å; M339-L351 HydrophobicContact SD-CG 4.42Å; F340-L351 HydrophobicContact CD1-CD2 3.56Å; F340-L351 HydrophobicContact CE1-CD2 3.36Å; F340-L351 HydrophobicContact CZ-CD2 4.14Å; A343-L351 HydrophobicContact CB-CD2 4.45Å; L351-V393 HydrophobicContact CB-CG1 4.46Å; L351-V394 PolarHBondContact N-O 3.39Å; L351-V395 HydrophobicContact CD2-CG1 4.37Å; L351-V395 HydrophobicContact CD2-CG2 4.45Å; L351-V395 CarbonylContact O-C 3.57Å; L351-V395 WeakPolarHBondContact O-CA 3.37Å; L351-L396 PolarHBondContact O-N 3.47Å
352	F	95.5	Very high	89.1	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	122.7	-179.3	-179.1	-105.7	0	0	0	112	T302 A305 F316 L317 V319 D354 L396 A398	T302-F352 HydrophobicContact CG2-CE1 3.68Å; T302-F352 HydrophobicContact CG2-CZ 4.08Å; A305-F352 HydrophobicContact CB-CD2 3.41Å; A305-F352 VanDerWaalsContact CB-CD2 3.41Å; A305-F352 HydrophobicContact CB-CE2 3.48Å; A305-F352 VanDerWaalsContact CB-CE2 3.48Å; A305-F352 HydrophobicContact CB-CG 4.09Å; A305-F352 HydrophobicContact CB-CZ 4.21Å; F316-F352 HydrophobicContact CD2-CB 4.48Å; F316-F352 HydrophobicContact CE1-CB 4.26Å; F316-F352 HydrophobicContact CE2-CB 3.52Å; F316-F352 HydrophobicContact CE2-CG 4.1Å; F316-F352 HydrophobicContact CZ-CB 3.39Å; F316-F352 AromaticContact CZ-CD1 3.83Å; F316-F352 HydrophobicContact CZ-CD1 3.83Å; F316-F352 AromaticContact CZ-CG 3.67Å; F316-F352 HydrophobicContact CZ-CG 3.67Å; L317-F352 PolarHBondContact O-N 3.12Å; V319-F352 PolarHBondContact N-O 3.32Å; F352-D354 HydrophobicContact CD1-CB 4.39Å; F352-D354 HydrophobicContact CE1-CB 3.57Å; F352-D354 WeakPolarHBondContact CE1-OD2 3.45Å; F352-D354 HydrophobicContact CZ-CB 4.07Å; F352-L396 CarbonylContact C-O 3.53Å; F352-L396 VanDerWaalsContact CA-O 3.25Å; F352-L396 WeakPolarHBondContact CA-O 3.37Å; F352-L396 HydrophobicContact CD2-CB 3.9Å; F352-A398 HydrophobicContact CE2-CB 3.81Å; F352-A398 HydrophobicContact CZ-CB 3.62Å
353	I	94.8	Very high	88	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	102.2	176.3	-53.9	176.1	0	0	0	108.4	V319 M339 I356 L380 V395 L396 A397 A398	V319-I353 WeakPolarHBondContact O-CA 3.41Å; M339-I353 HydrophobicContact CE-CD1 4.08Å; M339-I353 HydrophobicContact SD-CD1 4.45Å; M339-I353 HydrophobicContact SD-CG1 4.46Å; I353-I356 HydrophobicContact CG2-CB 4.24Å; I353-I356 HydrophobicContact CG2-CG1 4.33Å; I353-L380 HydrophobicContact CD1-CD1 4.2Å; I353-V395 HydrophobicContact CD1-CG1 4.36Å; I353-L396 PolarHBondContact N-O 3.05Å; I353-A397 CarbonylContact O-C 3.29Å; I353-A397 VanDerWaalsContact O-CA 3.29Å; I353-A397 WeakPolarHBondContact O-CA 3.26Å; I353-A398 PolarHBondContact O-N 2.95Å
354	D	94.3	Very high	86.5	Confident	39 Å²	39	48.5 Å²	48.5	21%	0.209	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	154.7	173.2	-140.3	-30.2	0	0	0	110.7	T302 V319 G321 F352 I356	T302-D354 WeakPolarHBondContact CG2-OD2 3.45Å; T302-D354 PolarHBondContact OG1-OD2 2.82Å; V319-D354 PolarHBondContact O-N 3.02Å; G321-D354 PolarHBondContact N-O 2.89Å; F352-D354 HydrophobicContact CD1-CB 4.39Å; F352-D354 HydrophobicContact CE1-CB 3.57Å; F352-D354 WeakPolarHBondContact CE1-OD2 3.45Å; F352-D354 HydrophobicContact CZ-CB 4.07Å; D354-I356 VanDerWaalsContact C-N 3.31Å; D354-I356 PolarHBondContact O-N 3Å
355	E	92.6	Very high	85.1	Confident	90 Å²	90	46.3 Å²	46.3	42%	0.421	26%	0.257	S	S	.	.	S	Bend	trans	48.6	46.7	179	-57.8	-177.6	144	0	0	114	D357 A358 A398	E355-D357 PolarHBondContact O-N 3.27Å; E355-A358 WeakPolarHBondContact O-CB 3.4Å; E355-A358 PolarHBondContact O-N 2.92Å; E355-A398 PolarHBondContact N-O 2.89Å
356	I	93.2	Very high	83.3	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-22.4	-177	-168.5	167.2	0	0	0	112.9	I292 I353 D354 A358 I359 G360 L380 A397 A398 L405 F415	I292-I356 HydrophobicContact CD1-CG2 3.92Å; I353-I356 HydrophobicContact CG2-CB 4.24Å; I353-I356 HydrophobicContact CG2-CG1 4.33Å; D354-I356 VanDerWaalsContact C-N 3.31Å; D354-I356 PolarHBondContact O-N 3Å; I356-A358 PolarHBondContact O-N 3.12Å; I356-I359 HydrophobicContact CG1-CG1 4.28Å; I356-I359 WeakPolarHBondContact O-CG1 3.48Å; I356-I359 PolarHBondContact O-N 3.27Å; I356-I359 VanDerWaalsContact O-N 3.12Å; I356-G360 WeakPolarHBondContact O-CA 3.25Å; I356-G360 PolarHBondContact O-N 3.21Å; I356-L380 HydrophobicContact CD1-CD2 4.37Å; I356-A397 HydrophobicContact CB-CB 4.21Å; I356-A397 HydrophobicContact CD1-CB 3.62Å; I356-A397 HydrophobicContact CG2-CB 4.15Å; I356-A398 PolarHBondContact N-O 3.18Å; I356-A398 VanDerWaalsContact N-O 3.12Å; I356-L405 HydrophobicContact CG2-CD1 4.32Å; I356-L405 HydrophobicContact CG2-CD2 4.25Å; I356-F415 HydrophobicContact CD1-CD2 4.44Å; I356-F415 HydrophobicContact CD1-CE2 3.58Å; I356-F415 HydrophobicContact CD1-CZ 3.76Å
357	D	91.1	Very high	81.8	Confident	35 Å²	35	48.4 Å²	48.4	19%	0.187	28%	0.284	C	S	.	.	H	α-helix	trans	-61.7	-19.6	175.1	47.3	-64.1	0	0	0	114.6	E355 I359 G361 T399 I404 L405	E355-D357 PolarHBondContact O-N 3.27Å; D357-I359 VanDerWaalsContact C-N 3.33Å; D357-I359 PolarHBondContact O-N 3.2Å; D357-G361 PolarHBondContact O-N 3.01Å; D357-T399 PolarHBondContact OD1-OG1 3.32Å; D357-I404 HydrophobicContact CB-CD1 3.84Å; D357-I404 HydrophobicContact CB-CG1 4.1Å; D357-L405 HydrophobicContact CB-CD2 3.85Å
358	A	88.7	Confident	80.5	Confident	27 Å²	27	55.8 Å²	55.8	22%	0.223	31%	0.308	C	S	.	.	H	α-helix	trans	-59.5	-41.4	170.6	0	0	0	0	0	112.5	L325 E355 I356 R373	L325-A358 HydrophobicContact CD1-CB 4.24Å; E355-A358 WeakPolarHBondContact O-CB 3.4Å; E355-A358 PolarHBondContact O-N 2.92Å; I356-A358 PolarHBondContact O-N 3.12Å; A358-R373 WeakPolarHBondContact O-CD 3.45Å
359	I	87.7	Confident	79.3	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.005	31%	0.314	C	S	.	.	H	α-helix	trans	-101.7	-31.8	178.1	54.7	175.7	0	0	0	113.4	F324 L325 I356 D357 G361 R373 T376 L380	F324-I359 HydrophobicContact CB-CG2 3.78Å; F324-I359 HydrophobicContact CD2-CD1 4.01Å; F324-I359 HydrophobicContact CD2-CG2 4.22Å; F324-I359 HydrophobicContact CE2-CD1 4.24Å; F324-I359 HydrophobicContact CG-CG2 4.34Å; L325-I359 HydrophobicContact CD2-CG2 4.18Å; L325-I359 HydrophobicContact CG-CG2 4.48Å; I356-I359 HydrophobicContact CG1-CG1 4.28Å; I356-I359 WeakPolarHBondContact O-CG1 3.48Å; I356-I359 PolarHBondContact O-N 3.27Å; I356-I359 VanDerWaalsContact O-N 3.12Å; D357-I359 VanDerWaalsContact C-N 3.33Å; D357-I359 PolarHBondContact O-N 3.2Å; I359-G361 VanDerWaalsContact C-N 3.35Å; I359-G361 PolarHBondContact O-N 2.98Å; I359-R373 VanDerWaalsContact O-CG 3.31Å; I359-R373 WeakPolarHBondContact O-CG 3.4Å; I359-T376 HydrophobicContact CG2-CG2 3.95Å; I359-L380 HydrophobicContact CD1-CD2 3.72Å
360	G	83.1	Confident	78.3	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-85.9	3.7	-173.8	0	0	0	0	0	115.3	I356 L405 D406	I356-G360 WeakPolarHBondContact O-CA 3.25Å; I356-G360 PolarHBondContact O-N 3.21Å; G360-L405 CarbonylContact O-C 3.46Å; G360-L405 WeakPolarHBondContact O-CA 3.47Å; G360-D406 PolarHBondContact O-N 2.84Å
361	G	79.7	Confident	77.5	Confident	5 Å²	5	63.7 Å²	63.7	5%	0.052	35%	0.354	C	S	.	.	B	Isolated β-bridge	trans	-63.2	142.5	-177.3	0	0	0	0	0	114.1	D357 I359 R373 I404	D357-G361 PolarHBondContact O-N 3.01Å; I359-G361 VanDerWaalsContact C-N 3.35Å; I359-G361 PolarHBondContact O-N 2.98Å; G361-R373 VanDerWaalsContact C-NH2 3.27Å; G361-R373 PolarHBondContact O-NE 3.01Å; G361-R373 PolarHBondContact O-NH2 2.68Å; G361-I404 CarbonylContact C-O 3.58Å; G361-I404 VanDerWaalsContact CA-O 3.31Å; G361-I404 WeakPolarHBondContact CA-O 3.43Å
362	K	73.2	Confident	76.8	Confident	131 Å²	131	64.5 Å²	64.5	57%	0.57	36%	0.357	S	S	*	.	P	Polyproline II helix	trans	-63	145.3	172.9	-162.8	173.2	-175.2	177.8	0	111.1	S364 R373 I404	K362-S364 PolarHBondContact O-N 3.24Å; K362-R373 PolarHBondContact O-NH2 3.45Å; K362-I404 WeakPolarHBondContact CB-O 3.34Å; K362-I404 PolarHBondContact N-O 3.18Å
363	R	67.3	Low	76.2	Confident	181 Å²	181	66.7 Å²	66.7	68%	0.683	37%	0.365	S	S	*	.	P	Polyproline II helix	trans	-62.5	119.6	177.8	177.7	-175.7	-86.8	-175.3	-5.3	110.2	E374	R363-E374 IonicContact CZ-OE1 3.51Å; R363-E374 IonicContact CZ-OE2 3.5Å; R363-E374 IonicContact NE-OE1 3.57Å; R363-E374 PolarHBondContact NE-OE1 3.18Å; R363-E374 IonicContact NE-OE2 3.52Å; R363-E374 IonicContact NH2-OE1 3.5Å; R363-E374 PolarHBondContact NH2-OE1 3.35Å; R363-E374 IonicContact NH2-OE2 2.69Å; R363-E374 PolarHBondContact NH2-OE2 3.15Å
364	S	59.6	Low	75.7	Confident	98 Å²	98	68.6 Å²	68.6	69%	0.685	37%	0.374	S	S	*	.			trans	-145.8	112.9	173.2	-173.3	0	0	0	0	110	K362 H370	K362-S364 PolarHBondContact O-N 3.24Å; S364-H370 PolarHBondContact O-CE1 2.88Å; S364-H370 PolarHBondContact O-NE2 3.44Å
365	G	57.1	Low	75.3	Confident	55 Å²	55	70.5 Å²	70.5	57%	0.567	39%	0.385	S	S	*	.	S	Bend	trans	93.5	152	177.3	0	0	0	0	0	115.9	S367 H370	G365-S367 VanDerWaalsContact C-N 3.35Å; G365-S367 PolarHBondContact O-N 2.96Å; G365-H370 PolarHBondContact O-CD2 2.88Å; G365-H370 PolarHBondContact O-NE2 3.36Å
366	T	51.9	Low	75.2	Confident	162 Å²	162	66.2 Å²	66.2	99%	0.994	36%	0.364	S	S	*	.			trans	-92.9	37.4	-174.2	28.8	0	0	0	0	113.5
367	S	57.8	Low	75.1	Confident	84 Å²	84	66.4 Å²	66.4	59%	0.587	37%	0.366	S	S	*	.			trans	-93.3	148.3	-175.3	-158.5	0	0	0	0	114.4	G365 G369 H370	G365-S367 VanDerWaalsContact C-N 3.35Å; G365-S367 PolarHBondContact O-N 2.96Å; S367-G369 PolarHBondContact O-N 3.49Å; S367-H370 PolarHBondContact O-CD2 2.79Å; S367-H370 PolarHBondContact O-N 3.24Å
368	F	57.5	Low	75.1	Confident	202 Å²	202	68.9 Å²	68.9	89%	0.886	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-14.4	-167.7	-165.7	-103.8	0	0	0	115.6
369	G	62.9	Low	75.2	Confident	52 Å²	52	69.6 Å²	69.6	54%	0.536	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-17.5	178.8	0	0	0	0	0	115.9	S367 Q371 E372	S367-G369 PolarHBondContact O-N 3.49Å; G369-Q371 VanDerWaalsContact C-N 3.31Å; G369-Q371 PolarHBondContact O-N 3.29Å; G369-E372 PolarHBondContact O-N 2.89Å
370	H	71.1	Confident	75.5	Confident	45 Å²	45	69.6 Å²	69.6	21%	0.208	38%	0.377	C	S	.	.	H	α-helix	trans	-68.7	-26.4	-170.9	-62.6	-63.8	0	0	0	114.2	S364 G365 S367 E372 R373 E374	S364-H370 PolarHBondContact O-CE1 2.88Å; S364-H370 PolarHBondContact O-NE2 3.44Å; G365-H370 PolarHBondContact O-CD2 2.88Å; G365-H370 PolarHBondContact O-NE2 3.36Å; S367-H370 PolarHBondContact O-CD2 2.79Å; S367-H370 PolarHBondContact O-N 3.24Å; H370-E372 VanDerWaalsContact C-N 3.33Å; H370-E372 PolarHBondContact O-N 3.01Å; H370-R373 PolarHBondContact O-N 3.43Å; H370-E374 WeakPolarHBondContact O-CB 3.48Å; H370-E374 VanDerWaalsContact O-CG 3.31Å; H370-E374 WeakPolarHBondContact O-CG 3.24Å; H370-E374 PolarHBondContact O-N 3.47Å
371	Q	74.4	Confident	75.9	Confident	131 Å²	131	70.1 Å²	70.1	61%	0.612	38%	0.38	S	S	*	.	H	α-helix	trans	-64.1	-36	-178.6	-65.1	-177.5	-5.6	0	0	112.8	G369 N375	G369-Q371 VanDerWaalsContact C-N 3.31Å; G369-Q371 PolarHBondContact O-N 3.29Å; Q371-N375 WeakPolarHBondContact O-CB 3.32Å; Q371-N375 PolarHBondContact O-N 2.83Å; Q371-N375 PolarHBondContact O-ND2 2.94Å
372	E	79.3	Confident	76.5	Confident	17 Å²	17	74.1 Å²	74.1	8%	0.079	40%	0.404	C	S	.	.	H	α-helix	trans	-74.2	-39.9	-179	-175.2	-95.4	-173.5	0	0	111.3	L325 E326 G369 H370 T376	L325-E372 WeakPolarHBondContact CD2-OE2 3.27Å; E326-E372 PolarHBondContact N-OE1 2.68Å; G369-E372 PolarHBondContact O-N 2.89Å; H370-E372 VanDerWaalsContact C-N 3.33Å; H370-E372 PolarHBondContact O-N 3.01Å; E372-T376 WeakPolarHBondContact O-CB 3.37Å; E372-T376 PolarHBondContact O-N 3.34Å; E372-T376 PolarHBondContact O-OG1 3.03Å
373	R	82.8	Confident	77.4	Confident	45 Å²	45	69.3 Å²	69.3	17%	0.17	38%	0.383	C	S	.	.	H	α-helix	trans	-59.7	-49.7	169.7	-166	-177.7	73.8	-171.4	1.1	112.2	L325 A358 I359 G361 K362 H370 N375 T376 L377	L325-R373 HydrophobicContact CD2-CB 4.19Å; L325-R373 HydrophobicContact CD2-CG 4.18Å; A358-R373 WeakPolarHBondContact O-CD 3.45Å; I359-R373 VanDerWaalsContact O-CG 3.31Å; I359-R373 WeakPolarHBondContact O-CG 3.4Å; G361-R373 VanDerWaalsContact C-NH2 3.27Å; G361-R373 PolarHBondContact O-NE 3.01Å; G361-R373 PolarHBondContact O-NH2 2.68Å; K362-R373 PolarHBondContact O-NH2 3.45Å; H370-R373 PolarHBondContact O-N 3.43Å; R373-N375 PolarHBondContact O-N 3.02Å; R373-T376 PolarHBondContact O-N 3.31Å; R373-L377 WeakPolarHBondContact O-CB 3.48Å; R373-L377 PolarHBondContact O-N 3.17Å
374	E	83.5	Confident	78.4	Confident	40 Å²	40	60.7 Å²	60.7	19%	0.187	35%	0.351	C	S	.	.	H	α-helix	trans	-62.8	-41.9	-179	-75	174.1	-172.4	0	0	112.4	R363 H370 T376 L377 N378	R363-E374 IonicContact CZ-OE1 3.51Å; R363-E374 IonicContact CZ-OE2 3.5Å; R363-E374 IonicContact NE-OE1 3.57Å; R363-E374 PolarHBondContact NE-OE1 3.18Å; R363-E374 IonicContact NE-OE2 3.52Å; R363-E374 IonicContact NH2-OE1 3.5Å; R363-E374 PolarHBondContact NH2-OE1 3.35Å; R363-E374 IonicContact NH2-OE2 2.69Å; R363-E374 PolarHBondContact NH2-OE2 3.15Å; H370-E374 WeakPolarHBondContact O-CB 3.48Å; H370-E374 VanDerWaalsContact O-CG 3.31Å; H370-E374 WeakPolarHBondContact O-CG 3.24Å; H370-E374 PolarHBondContact O-N 3.47Å; E374-T376 VanDerWaalsContact C-N 3.34Å; E374-T376 PolarHBondContact O-N 3.22Å; E374-L377 PolarHBondContact O-N 3.26Å; E374-N378 WeakPolarHBondContact O-CB 3.28Å; E374-N378 VanDerWaalsContact O-CG 3.25Å; E374-N378 PolarHBondContact O-N 3.05Å; E374-N378 PolarHBondContact O-ND2 3.07Å; E374-N378 VanDerWaalsContact O-ND2 3.12Å
375	N	87	Confident	79.7	Confident	79 Å²	79	59.6 Å²	59.6	42%	0.422	34%	0.337	S	S	.	.	H	α-helix	trans	-64.8	-39.2	175.8	-72.1	-19.3	0	0	0	112.1	P333 Q371 R373 Q379	P333-N375 HydrophobicContact CG-CB 4.09Å; Q371-N375 WeakPolarHBondContact O-CB 3.32Å; Q371-N375 PolarHBondContact O-N 2.83Å; Q371-N375 PolarHBondContact O-ND2 2.94Å; R373-N375 PolarHBondContact O-N 3.02Å; N375-Q379 PolarHBondContact O-N 2.94Å; N375-Q379 VanDerWaalsContact O-N 3.1Å
376	T	90.3	Very high	80.7	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-65.9	-44.9	176.5	-58.7	0	0	0	0	111.5	F324 P333 V336 I359 E372 R373 E374 Q379 L380	F324-T376 HydrophobicContact CB-CG2 3.88Å; F324-T376 HydrophobicContact CD1-CG2 4.4Å; F324-T376 HydrophobicContact CG-CG2 4.26Å; P333-T376 WeakPolarHBondContact CD-OG1 3.39Å; V336-T376 HydrophobicContact CG2-CG2 3.82Å; I359-T376 HydrophobicContact CG2-CG2 3.95Å; E372-T376 WeakPolarHBondContact O-CB 3.37Å; E372-T376 PolarHBondContact O-N 3.34Å; E372-T376 PolarHBondContact O-OG1 3.03Å; R373-T376 PolarHBondContact O-N 3.31Å; E374-T376 VanDerWaalsContact C-N 3.34Å; E374-T376 PolarHBondContact O-N 3.22Å; T376-Q379 PolarHBondContact O-N 3.1Å; T376-L380 PolarHBondContact O-N 3.27Å
377	L	90.5	Very high	81.8	Confident	5 Å²	5	52.3 Å²	52.3	3%	0.026	29%	0.291	C	S	.	.	H	α-helix	trans	-59.4	-48.3	174.8	177.5	55.7	0	0	0	111.3	R373 E374 Q379 L380 L381 D406 L409	R373-L377 WeakPolarHBondContact O-CB 3.48Å; R373-L377 PolarHBondContact O-N 3.17Å; E374-L377 PolarHBondContact O-N 3.26Å; L377-Q379 VanDerWaalsContact C-N 3.3Å; L377-Q379 PolarHBondContact O-N 2.77Å; L377-L380 WeakPolarHBondContact O-CB 3.42Å; L377-L380 PolarHBondContact O-N 2.84Å; L377-L380 VanDerWaalsContact O-N 3.08Å; L377-L381 HydrophobicContact CD1-CG 4.28Å; L377-L381 HydrophobicContact CG-CD1 4.38Å; L377-L381 WeakPolarHBondContact O-CG 3.48Å; L377-L381 PolarHBondContact O-N 3.34Å; L377-D406 HydrophobicContact CD2-CB 4.01Å; L377-L409 HydrophobicContact CD1-CD1 3.83Å; L377-L409 HydrophobicContact CD1-CD2 3.81Å; L377-L409 HydrophobicContact CD1-CG 3.87Å
378	N	91.3	Very high	82.3	Confident	86 Å²	86	52 Å²	52	46%	0.46	29%	0.285	S	S	.	.	H	α-helix	trans	-59.9	-39	178.1	-73.5	-33.4	0	0	0	112.2	E374 L381 V382	E374-N378 WeakPolarHBondContact O-CB 3.28Å; E374-N378 VanDerWaalsContact O-CG 3.25Å; E374-N378 PolarHBondContact O-N 3.05Å; E374-N378 PolarHBondContact O-ND2 3.07Å; E374-N378 VanDerWaalsContact O-ND2 3.12Å; N378-L381 PolarHBondContact O-N 2.93Å; N378-V382 WeakPolarHBondContact O-CG2 3.42Å; N378-V382 PolarHBondContact O-N 3.13Å
379	Q	91.9	Very high	82.6	Confident	42 Å²	42	45.6 Å²	45.6	20%	0.196	26%	0.263	C	S	.	.	H	α-helix	trans	-64.3	-43.5	173.2	-170.3	69.9	46.6	0	0	111.9	P333 V336 R337 N375 T376 L377 L381 V382 E383	P333-Q379 HydrophobicContact CB-CB 4.02Å; P333-Q379 HydrophobicContact CB-CG 4.28Å; V336-Q379 HydrophobicContact CB-CB 4.47Å; V336-Q379 HydrophobicContact CB-CG 4.1Å; V336-Q379 HydrophobicContact CG1-CB 4.31Å; V336-Q379 HydrophobicContact CG1-CG 3.92Å; R337-Q379 HydrophobicContact CG-CG 4.07Å; N375-Q379 PolarHBondContact O-N 2.94Å; N375-Q379 VanDerWaalsContact O-N 3.1Å; T376-Q379 PolarHBondContact O-N 3.1Å; L377-Q379 VanDerWaalsContact C-N 3.3Å; L377-Q379 PolarHBondContact O-N 2.77Å; Q379-L381 VanDerWaalsContact C-N 3.28Å; Q379-L381 PolarHBondContact O-N 3.23Å; Q379-V382 PolarHBondContact O-N 3.19Å; Q379-E383 HydrophobicContact CG-CG 4.43Å; Q379-E383 PolarHBondContact NE2-OE1 2.85Å; Q379-E383 WeakPolarHBondContact O-CG 3.49Å; Q379-E383 PolarHBondContact O-N 2.87Å
380	L	92.5	Very high	82.7	Confident	1 Å²	1	50.7 Å²	50.7	1%	0.005	27%	0.272	C	S	.	.	H	α-helix	trans	-57.9	-42.7	176.2	171.9	60.7	0	0	0	111.1	V336 F340 I353 I356 I359 T376 L377 E383 M384 L409	V336-L380 HydrophobicContact CG1-CB 4.18Å; F340-L380 HydrophobicContact CE2-CD1 3.53Å; F340-L380 HydrophobicContact CZ-CD1 3.54Å; I353-L380 HydrophobicContact CD1-CD1 4.2Å; I356-L380 HydrophobicContact CD1-CD2 4.37Å; I359-L380 HydrophobicContact CD1-CD2 3.72Å; T376-L380 PolarHBondContact O-N 3.27Å; L377-L380 WeakPolarHBondContact O-CB 3.42Å; L377-L380 PolarHBondContact O-N 2.84Å; L377-L380 VanDerWaalsContact O-N 3.08Å; L380-E383 PolarHBondContact O-N 2.97Å; L380-M384 HydrophobicContact CD1-CG 4.05Å; L380-M384 WeakPolarHBondContact O-CB 3.35Å; L380-M384 VanDerWaalsContact O-CG 3.22Å; L380-M384 WeakPolarHBondContact O-CG 3.36Å; L380-M384 PolarHBondContact O-N 3.35Å; L380-L409 HydrophobicContact CD2-CD2 4.14Å
381	L	92.3	Very high	82.7	Confident	11 Å²	11	51.3 Å²	51.3	6%	0.058	28%	0.275	C	S	.	.	H	α-helix	trans	-63.6	-41.7	176	-62.7	177.4	0	0	0	112.4	L377 N378 Q379 M384 D385 A408 L409	L377-L381 HydrophobicContact CD1-CG 4.28Å; L377-L381 HydrophobicContact CG-CD1 4.38Å; L377-L381 WeakPolarHBondContact O-CG 3.48Å; L377-L381 PolarHBondContact O-N 3.34Å; N378-L381 PolarHBondContact O-N 2.93Å; Q379-L381 VanDerWaalsContact C-N 3.28Å; Q379-L381 PolarHBondContact O-N 3.23Å; L381-M384 PolarHBondContact O-N 3.06Å; L381-D385 WeakPolarHBondContact O-CB 3.47Å; L381-D385 VanDerWaalsContact O-CG 3.25Å; L381-D385 PolarHBondContact O-N 2.62Å; L381-A408 HydrophobicContact CD1-CB 4.02Å; L381-L409 HydrophobicContact CD2-CD2 3.6Å; L381-L409 HydrophobicContact CD2-CG 4.09Å
382	V	92.2	Very high	83.2	Confident	90 Å²	90	47.6 Å²	47.6	55%	0.545	26%	0.26	S	S	.	.	H	α-helix	trans	-64.5	-43	177.7	168.6	0	0	0	0	111.9	N378 Q379 G386	N378-V382 WeakPolarHBondContact O-CG2 3.42Å; N378-V382 PolarHBondContact O-N 3.13Å; Q379-V382 PolarHBondContact O-N 3.19Å; V382-G386 PolarHBondContact O-N 2.98Å
383	E	91.3	Very high	83.6	Confident	29 Å²	29	47.5 Å²	47.5	14%	0.136	26%	0.261	C	S	.	.	H	α-helix	trans	-67.1	-43.8	176.4	-59.8	-67.8	141	0	0	111	V336 R337 F340 R344 Q379 L380 D385 G386 F387	V336-E383 HydrophobicContact CG1-CG 4.19Å; R337-E383 WeakPolarHBondContact CG-OE1 3.38Å; F340-E383 HydrophobicContact CB-CB 4.45Å; F340-E383 HydrophobicContact CD2-CB 3.32Å; F340-E383 HydrophobicContact CD2-CG 3.59Å; F340-E383 HydrophobicContact CE2-CB 3.49Å; F340-E383 VanDerWaalsContact CE2-CB 3.49Å; F340-E383 HydrophobicContact CE2-CG 4.09Å; F340-E383 HydrophobicContact CG-CB 3.96Å; F340-E383 HydrophobicContact CG-CG 4.37Å; F340-E383 HydrophobicContact CZ-CB 4.25Å; R344-E383 IonicContact NH2-OE2 2.77Å; R344-E383 PolarHBondContact NH2-OE2 3.01Å; Q379-E383 HydrophobicContact CG-CG 4.43Å; Q379-E383 PolarHBondContact NE2-OE1 2.85Å; Q379-E383 WeakPolarHBondContact O-CG 3.49Å; Q379-E383 PolarHBondContact O-N 2.87Å; L380-E383 PolarHBondContact O-N 2.97Å; E383-D385 VanDerWaalsContact C-N 3.35Å; E383-D385 PolarHBondContact O-N 3.38Å; E383-G386 WeakPolarHBondContact O-CA 3.29Å; E383-G386 PolarHBondContact O-N 2.84Å; E383-F387 WeakPolarHBondContact O-CD2 3.38Å; E383-F387 PolarHBondContact O-N 2.59Å; E383-F387 VanDerWaalsContact O-N 3.16Å
384	M	89.7	Confident	83.9	Confident	1 Å²	1	45.4 Å²	45.4	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-59.4	-40.7	176	-74.1	-61.9	-61	0	0	113.1	R289 F340 L380 L381 G386 V395 R414	R289-M384 HydrophobicContact CB-CE 4.46Å; R289-M384 PolarHBondContact NH1-O 3.1Å; F340-M384 HydrophobicContact CE1-SD 4.22Å; F340-M384 HydrophobicContact CZ-CG 4.28Å; F340-M384 HydrophobicContact CZ-SD 3.92Å; L380-M384 HydrophobicContact CD1-CG 4.05Å; L380-M384 WeakPolarHBondContact O-CB 3.35Å; L380-M384 VanDerWaalsContact O-CG 3.22Å; L380-M384 WeakPolarHBondContact O-CG 3.36Å; L380-M384 PolarHBondContact O-N 3.35Å; L381-M384 PolarHBondContact O-N 3.06Å; M384-G386 VanDerWaalsContact C-N 3.33Å; M384-V395 HydrophobicContact CE-CB 4.11Å; M384-V395 HydrophobicContact CE-CG1 4.48Å; M384-V395 HydrophobicContact CE-CG2 4.22Å; M384-V395 HydrophobicContact SD-CB 4Å; M384-V395 HydrophobicContact SD-CG1 3.96Å; M384-V395 HydrophobicContact SD-CG2 3.77Å; M384-R414 HydrophobicContact CB-CG 4.18Å; M384-R414 VanDerWaalsContact CE-O 3.32Å; M384-R414 WeakPolarHBondContact CE-O 3.42Å
385	D	86.7	Confident	84.4	Confident	74 Å²	74	43.6 Å²	43.6	40%	0.396	24%	0.244	S	C	.	.	H	α-helix	trans	-69.7	-33.7	175	-70.4	-13.5	0	0	0	111.3	R289 L381 E383 R414	R289-D385 VanDerWaalsContact NH1-C 3.33Å; R289-D385 PolarHBondContact NH1-O 3.3Å; L381-D385 WeakPolarHBondContact O-CB 3.47Å; L381-D385 VanDerWaalsContact O-CG 3.25Å; L381-D385 PolarHBondContact O-N 2.62Å; E383-D385 VanDerWaalsContact C-N 3.35Å; E383-D385 PolarHBondContact O-N 3.38Å; D385-R414 WeakPolarHBondContact OD1-CG 3.32Å; D385-R414 IonicContact OD1-CZ 3.73Å; D385-R414 IonicContact OD1-NE 2.85Å; D385-R414 PolarHBondContact OD1-NE 3.43Å; D385-R414 IonicContact OD1-NH2 2.77Å; D385-R414 IonicContact OD2-CZ 3.63Å; D385-R414 IonicContact OD2-NE 3.65Å; D385-R414 PolarHBondContact OD2-NE 3.05Å; D385-R414 IonicContact OD2-NH2 3.93Å; D385-R414 PolarHBondContact OD2-NH2 2.86Å
386	G	78.7	Confident	84.7	Confident	51 Å²	51	39.9 Å²	39.9	53%	0.526	22%	0.224	S	C	.	.	H	α-helix	trans	-71.2	-21.6	-179.5	0	0	0	0	0	116	V382 E383 M384 T388	V382-G386 PolarHBondContact O-N 2.98Å; E383-G386 WeakPolarHBondContact O-CA 3.29Å; E383-G386 PolarHBondContact O-N 2.84Å; M384-G386 VanDerWaalsContact C-N 3.33Å; G386-T388 PolarHBondContact O-N 3.38Å; G386-T388 VanDerWaalsContact O-N 3.13Å
387	F	74	Confident	85	Confident	14 Å²	14	39.9 Å²	39.9	6%	0.061	22%	0.224	C	C	.	.			trans	-58	116.9	177.1	-87.7	-78.4	0	0	0	111.9	R289 F340 R344 E383 E391 V393	R289-F387 PolarHBondContact NE-O 2.95Å; R289-F387 PolarHBondContact NH1-O 3.16Å; R289-F387 PolarHBondContact NH2-O 2.95Å; F340-F387 HydrophobicContact CB-CE2 4.39Å; F340-F387 HydrophobicContact CB-CZ 4.19Å; F340-F387 AromaticContact CD1-CE2 3.27Å; F340-F387 HydrophobicContact CD1-CE2 3.27Å; F340-F387 AromaticContact CD1-CZ 3.38Å; F340-F387 HydrophobicContact CD1-CZ 3.38Å; F340-F387 HydrophobicContact CE1-CD2 4.48Å; F340-F387 AromaticContact CE1-CE2 3.47Å; F340-F387 HydrophobicContact CE1-CE2 3.47Å; F340-F387 VanDerWaalsContact CE1-CE2 3.47Å; F340-F387 AromaticContact CE1-CZ 3.97Å; F340-F387 HydrophobicContact CE1-CZ 3.97Å; F340-F387 AromaticContact CG-CE2 3.94Å; F340-F387 HydrophobicContact CG-CE2 3.94Å; F340-F387 HydrophobicContact CG-CZ 4.09Å; F340-F387 HydrophobicContact CZ-CE2 4.31Å; R344-F387 HydrophobicContact CG-CE1 4.03Å; R344-F387 HydrophobicContact CG-CZ 4.44Å; E383-F387 WeakPolarHBondContact O-CD2 3.38Å; E383-F387 PolarHBondContact O-N 2.59Å; E383-F387 VanDerWaalsContact O-N 3.16Å; F387-E391 HydrophobicContact CD1-CB 4.2Å; F387-E391 WeakPolarHBondContact CD1-OE2 3.28Å; F387-E391 WeakPolarHBondContact CE1-OE2 3.34Å; F387-V393 HydrophobicContact CD1-CB 4.38Å; F387-V393 HydrophobicContact CE1-CB 3.95Å; F387-V393 HydrophobicContact CE1-CG1 4.3Å; F387-V393 HydrophobicContact CE1-CG2 4.08Å
388	T	68.6	Low	85.2	Confident	77 Å²	77	39.6 Å²	39.6	47%	0.472	22%	0.223	S	C	.	.			trans	-81.3	141.9	167	-60.1	0	0	0	0	109	G386 Q390 E391	G386-T388 PolarHBondContact O-N 3.38Å; G386-T388 VanDerWaalsContact O-N 3.13Å; T388-Q390 HydrophobicContact CG2-CB 4.3Å; T388-Q390 HydrophobicContact CG2-CG 4.25Å; T388-Q390 PolarHBondContact O-N 3.32Å; T388-E391 PolarHBondContact O-N 3.31Å
389	T	62.9	Low	85.4	Confident	67 Å²	67	35.6 Å²	35.6	41%	0.411	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-48.4	-27	179.7	-52.9	0	0	0	0	114.2	I287 E391	I287-T389 HydrophobicContact CB-CG2 4.16Å; I287-T389 HydrophobicContact CD1-CG2 3.36Å; I287-T389 HydrophobicContact CG1-CG2 4.24Å; T389-E391 VanDerWaalsContact C-N 3.32Å; T389-E391 PolarHBondContact O-N 2.99Å
390	Q	65.3	Low	85.5	Confident	159 Å²	159	36.9 Å²	36.9	74%	0.743	21%	0.21	S	C	*	.	G	3₁₀ helix	trans	-72.8	-15.8	-179	-65	174.4	-19.8	0	0	114.6	T388 N392	T388-Q390 HydrophobicContact CG2-CB 4.3Å; T388-Q390 HydrophobicContact CG2-CG 4.25Å; T388-Q390 PolarHBondContact O-N 3.32Å; Q390-N392 VanDerWaalsContact C-N 3.27Å; Q390-N392 PolarHBondContact O-N 2.91Å
391	E	72.5	Confident	85.3	Confident	58 Å²	58	42.4 Å²	42.4	27%	0.271	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-78.3	-7	-173.5	-64.3	-173.2	178.2	0	0	113.6	R344 A347 F387 T388 T389 V393	R344-E391 WeakPolarHBondContact CD-OE2 3.34Å; R344-E391 WeakPolarHBondContact CG-OE2 3.34Å; A347-E391 WeakPolarHBondContact CB-O 3.41Å; F387-E391 HydrophobicContact CD1-CB 4.2Å; F387-E391 WeakPolarHBondContact CD1-OE2 3.28Å; F387-E391 WeakPolarHBondContact CE1-OE2 3.34Å; T388-E391 PolarHBondContact O-N 3.31Å; T389-E391 VanDerWaalsContact C-N 3.32Å; T389-E391 PolarHBondContact O-N 2.99Å; E391-V393 PolarHBondContact O-N 2.64Å
392	N	83.4	Confident	85.2	Confident	53 Å²	53	44.4 Å²	44.4	28%	0.283	24%	0.243	S	C	.	.			trans	49.7	29.1	175.3	-64.1	-31.3	0	0	0	115.6	P348 C349 Q390	P348-N392 WeakPolarHBondContact CA-O 3.36Å; P348-N392 HydrophobicContact CB-CB 3.97Å; C349-N392 PolarHBondContact N-O 3.38Å; Q390-N392 VanDerWaalsContact C-N 3.27Å; Q390-N392 PolarHBondContact O-N 2.91Å
393	V	88	Confident	85	Confident	16 Å²	16	45 Å²	45	10%	0.097	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	129.7	172.2	-179.9	0	0	0	0	109.1	A343 A347 L351 F387 E391 V395	A343-V393 HydrophobicContact CB-CG1 4.14Å; A343-V393 HydrophobicContact CB-CG2 4.48Å; A347-V393 HydrophobicContact CB-CG2 4.27Å; L351-V393 HydrophobicContact CB-CG1 4.46Å; F387-V393 HydrophobicContact CD1-CB 4.38Å; F387-V393 HydrophobicContact CE1-CB 3.95Å; F387-V393 HydrophobicContact CE1-CG1 4.3Å; F387-V393 HydrophobicContact CE1-CG2 4.08Å; E391-V393 PolarHBondContact O-N 2.64Å; V393-V395 HydrophobicContact CG1-CG2 4.38Å
394	V	89.9	Confident	84.9	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.006	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	125.7	172.7	171.7	0	0	0	0	109.3	F270 L274 C349 I350 L351 L396	F270-V394 HydrophobicContact CD1-CG1 3.52Å; F270-V394 HydrophobicContact CD1-CG2 4.25Å; F270-V394 HydrophobicContact CE1-CG1 4.05Å; F270-V394 HydrophobicContact CG-CG1 4.4Å; L274-V394 HydrophobicContact CD1-CG2 4.17Å; L274-V394 HydrophobicContact CD2-CG2 4.04Å; L274-V394 HydrophobicContact CG-CG2 4.16Å; C349-V394 PolarHBondContact O-N 2.91Å; C349-V394 VanDerWaalsContact O-N 3.11Å; I350-V394 WeakPolarHBondContact CA-O 3.42Å; I350-V394 HydrophobicContact CG1-CB 4.38Å; L351-V394 PolarHBondContact N-O 3.39Å; V394-L396 HydrophobicContact CG1-CD2 4.09Å; V394-L396 HydrophobicContact CG1-CG 4.3Å
395	V	92.9	Very high	84.9	Confident	1 Å²	1	46.4 Å²	46.4	1%	0.006	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	111.2	-179.7	-169.3	0	0	0	0	110.6	R289 G290 A291 F340 L351 I353 M384 V393 F415	R289-V395 PolarHBondContact O-N 2.84Å; G290-V395 CarbonylContact C-O 3.59Å; G290-V395 WeakPolarHBondContact CA-O 3.47Å; A291-V395 PolarHBondContact N-O 3.42Å; F340-V395 HydrophobicContact CE1-CG2 4.06Å; L351-V395 HydrophobicContact CD2-CG1 4.37Å; L351-V395 HydrophobicContact CD2-CG2 4.45Å; L351-V395 CarbonylContact O-C 3.57Å; L351-V395 WeakPolarHBondContact O-CA 3.37Å; I353-V395 HydrophobicContact CD1-CG1 4.36Å; M384-V395 HydrophobicContact CE-CB 4.11Å; M384-V395 HydrophobicContact CE-CG1 4.48Å; M384-V395 HydrophobicContact CE-CG2 4.22Å; M384-V395 HydrophobicContact SD-CB 4Å; M384-V395 HydrophobicContact SD-CG1 3.96Å; M384-V395 HydrophobicContact SD-CG2 3.77Å; V393-V395 HydrophobicContact CG1-CG2 4.38Å; V395-F415 HydrophobicContact CB-CE1 4.42Å; V395-F415 HydrophobicContact CG1-CE1 3.91Å; V395-F415 HydrophobicContact CG1-CZ 4.01Å
396	L	94.7	Very high	85.1	Confident	1 Å²	1	45.1 Å²	45.1	1%	0.005	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	134.1	173.5	-61.6	-176.8	0	0	0	109.6	A291 A305 T308 I350 L351 F352 I353 V394	A291-L396 HydrophobicContact CB-CD2 3.81Å; A291-L396 WeakPolarHBondContact O-CA 3.26Å; A305-L396 HydrophobicContact CB-CD1 4.06Å; T308-L396 HydrophobicContact CG2-CD1 4.4Å; I350-L396 HydrophobicContact CG2-CD1 3.78Å; I350-L396 HydrophobicContact CG2-CG 4.02Å; L351-L396 PolarHBondContact O-N 3.47Å; F352-L396 CarbonylContact C-O 3.53Å; F352-L396 VanDerWaalsContact CA-O 3.25Å; F352-L396 WeakPolarHBondContact CA-O 3.37Å; F352-L396 HydrophobicContact CD2-CB 3.9Å; I353-L396 PolarHBondContact N-O 3.05Å; V394-L396 HydrophobicContact CG1-CD2 4.09Å; V394-L396 HydrophobicContact CG1-CG 4.3Å
397	A	95.4	Very high	85.7	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	149.7	172.1	0	0	0	0	0	110.7	A291 I292 L293 I353 I356 F415	A291-A397 PolarHBondContact O-N 2.95Å; I292-A397 CarbonylContact C-O 3.53Å; I292-A397 WeakPolarHBondContact CA-O 3.4Å; I292-A397 HydrophobicContact CG1-CB 4.18Å; L293-A397 PolarHBondContact N-O 3.48Å; I353-A397 CarbonylContact O-C 3.29Å; I353-A397 VanDerWaalsContact O-CA 3.29Å; I353-A397 WeakPolarHBondContact O-CA 3.26Å; I356-A397 HydrophobicContact CB-CB 4.21Å; I356-A397 HydrophobicContact CD1-CB 3.62Å; I356-A397 HydrophobicContact CG2-CB 4.15Å; A397-F415 HydrophobicContact CB-CD1 4.16Å; A397-F415 HydrophobicContact CB-CE1 3.52Å; A397-F415 HydrophobicContact CB-CE2 4.47Å; A397-F415 HydrophobicContact CB-CZ 3.7Å
398	A	95.6	Very high	86.5	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	140.7	171.7	0	0	0	0	0	111.5	L293 K301 F352 I353 E355 I356	L293-A398 HydrophobicContact CB-CB 4.5Å; L293-A398 WeakPolarHBondContact O-CA 3.46Å; K301-A398 HydrophobicContact CB-CB 4.25Å; K301-A398 HydrophobicContact CD-CB 4.45Å; F352-A398 HydrophobicContact CE2-CB 3.81Å; F352-A398 HydrophobicContact CZ-CB 3.62Å; I353-A398 PolarHBondContact O-N 2.95Å; E355-A398 PolarHBondContact N-O 2.89Å; I356-A398 PolarHBondContact N-O 3.18Å; I356-A398 VanDerWaalsContact N-O 3.12Å
399	T	94.6	Very high	87.6	Confident	1 Å²	1	43.5 Å²	43.5	1%	0.006	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	149.1	171.4	-171.4	0	0	0	0	111.8	I292 L293 K294 G295 K301 D357 R401 V402 L405	I292-T399 HydrophobicContact CD1-CG2 3.87Å; I292-T399 HydrophobicContact CG1-CG2 4.16Å; L293-T399 PolarHBondContact O-N 3.37Å; K294-T399 HydrophobicContact CB-CG2 4.1Å; G295-T399 PolarHBondContact N-O 3.04Å; K301-T399 VanDerWaalsContact CE-O 3.23Å; K301-T399 WeakPolarHBondContact CE-O 3.32Å; K301-T399 PolarHBondContact NZ-O 2.9Å; D357-T399 PolarHBondContact OD1-OG1 3.32Å; T399-R401 PolarHBondContact OG1-N 2.67Å; T399-R401 PolarHBondContact OG1-O 3Å; T399-V402 HydrophobicContact CG2-CB 4.35Å; T399-L405 HydrophobicContact CG2-CD1 3.99Å
400	N	94.1	Very high	88.9	Confident	69 Å²	69	42.2 Å²	42.2	37%	0.369	22%	0.22	S	C	.	.	S	Bend	trans	-89	-15.1	165.8	-62.2	-49.4	0	0	0	112.2	G295 P297 K301	G295-N400 WeakPolarHBondContact O-CA 3.32Å; P297-N400 WeakPolarHBondContact CA-OD1 3.32Å; K301-N400 PolarHBondContact NZ-OD1 2.96Å
401	R	89.5	Confident	90.2	Very high	117 Å²	117	43 Å²	43	44%	0.442	22%	0.216	S	C	.	.			trans	-141.5	89.1	-168.6	-70.7	-164.8	67.1	174.5	4	111.5	T399 D403 I404	T399-R401 PolarHBondContact OG1-N 2.67Å; T399-R401 PolarHBondContact OG1-O 3Å; R401-D403 VanDerWaalsContact C-N 3.29Å; R401-D403 VanDerWaalsContact C-OD1 3.32Å; R401-D403 VanDerWaalsContact CA-OD1 3.27Å; R401-D403 WeakPolarHBondContact CA-OD1 3.19Å; R401-D403 VanDerWaalsContact CB-OD1 3.26Å; R401-D403 WeakPolarHBondContact CB-OD1 3.4Å; R401-D403 IonicContact CZ-OD2 2.72Å; R401-D403 IonicContact NE-OD1 2.94Å; R401-D403 IonicContact NE-OD2 3.44Å; R401-D403 PolarHBondContact NE-OD2 2.83Å; R401-D403 IonicContact NH2-OD2 3.89Å; R401-D403 PolarHBondContact NH2-OD2 3.26Å; R401-I404 HydrophobicContact CB-CD1 3.79Å; R401-I404 HydrophobicContact CB-CG1 3.81Å; R401-I404 VanDerWaalsContact NH2-CG2 3.34Å; R401-I404 WeakPolarHBondContact O-CG1 3.44Å
402	V	89.8	Confident	90.8	Very high	53 Å²	53	45.6 Å²	45.6	32%	0.321	24%	0.238	S	C	.	.	S	Bend	trans	-74.5	-22	176.2	72.9	0	0	0	0	112.4	K294 T399 I404 L405 L410	K294-V402 HydrophobicContact CB-CB 4.3Å; K294-V402 HydrophobicContact CD-CB 4.3Å; K294-V402 HydrophobicContact CD-CG1 4.27Å; K294-V402 HydrophobicContact CD-CG2 4.13Å; T399-V402 HydrophobicContact CG2-CB 4.35Å; V402-I404 VanDerWaalsContact C-N 3.32Å; V402-I404 PolarHBondContact O-N 3.31Å; V402-L405 HydrophobicContact CG2-CD1 4.33Å; V402-L405 PolarHBondContact O-N 3.43Å; V402-L410 HydrophobicContact CG2-CD1 4.38Å
403	D	88.4	Confident	90.8	Very high	104 Å²	104	44.3 Å²	44.3	56%	0.556	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62	-34.1	-179.8	57.2	-57.8	0	0	0	113.6	R401	R401-D403 VanDerWaalsContact C-N 3.29Å; R401-D403 VanDerWaalsContact C-OD1 3.32Å; R401-D403 VanDerWaalsContact CA-OD1 3.27Å; R401-D403 WeakPolarHBondContact CA-OD1 3.19Å; R401-D403 VanDerWaalsContact CB-OD1 3.26Å; R401-D403 WeakPolarHBondContact CB-OD1 3.4Å; R401-D403 IonicContact CZ-OD2 2.72Å; R401-D403 IonicContact NE-OD1 2.94Å; R401-D403 IonicContact NE-OD2 3.44Å; R401-D403 PolarHBondContact NE-OD2 2.83Å; R401-D403 IonicContact NH2-OD2 3.89Å; R401-D403 PolarHBondContact NH2-OD2 3.26Å
404	I	88.7	Confident	91	Very high	52 Å²	52	45.4 Å²	45.4	27%	0.267	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-4.1	-179.6	61.9	-179.7	0	0	0	113.7	D357 G361 K362 R401 V402	D357-I404 HydrophobicContact CB-CD1 3.84Å; D357-I404 HydrophobicContact CB-CG1 4.1Å; G361-I404 CarbonylContact C-O 3.58Å; G361-I404 VanDerWaalsContact CA-O 3.31Å; G361-I404 WeakPolarHBondContact CA-O 3.43Å; K362-I404 WeakPolarHBondContact CB-O 3.34Å; K362-I404 PolarHBondContact N-O 3.18Å; R401-I404 HydrophobicContact CB-CD1 3.79Å; R401-I404 HydrophobicContact CB-CG1 3.81Å; R401-I404 VanDerWaalsContact NH2-CG2 3.34Å; R401-I404 WeakPolarHBondContact O-CG1 3.44Å; V402-I404 VanDerWaalsContact C-N 3.32Å; V402-I404 PolarHBondContact O-N 3.31Å
405	L	89.9	Confident	91.1	Very high	6 Å²	6	45.3 Å²	45.3	3%	0.031	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-74.9	149.9	-177.5	-68.2	179.5	0	0	0	112.6	I292 I356 D357 G360 T399 V402 P407 L409	I292-L405 HydrophobicContact CD1-CD1 3.34Å; I356-L405 HydrophobicContact CG2-CD1 4.32Å; I356-L405 HydrophobicContact CG2-CD2 4.25Å; D357-L405 HydrophobicContact CB-CD2 3.85Å; G360-L405 CarbonylContact O-C 3.46Å; G360-L405 WeakPolarHBondContact O-CA 3.47Å; T399-L405 HydrophobicContact CG2-CD1 3.99Å; V402-L405 HydrophobicContact CG2-CD1 4.33Å; V402-L405 PolarHBondContact O-N 3.43Å; L405-P407 WeakPolarHBondContact O-CD 3.44Å; L405-L409 HydrophobicContact CD2-CD1 4.5Å
406	D	90.4	Very high	90.8	Very high	47 Å²	47	47.9 Å²	47.9	25%	0.251	25%	0.253	S	S	.	.			trans	-66.1	121.7	170.8	-167.2	-32.1	0	0	0	109.7	G360 L377 A408 L409	G360-D406 PolarHBondContact O-N 2.84Å; L377-D406 HydrophobicContact CD2-CB 4.01Å; D406-A408 PolarHBondContact O-N 3.29Å; D406-A408 WeakPolarHBondContact OD1-CB 3.48Å; D406-A408 PolarHBondContact OD1-N 2.91Å; D406-L409 WeakPolarHBondContact O-CB 3.32Å; D406-L409 PolarHBondContact O-N 2.9Å
407	P	90.5	Very high	90.5	Very high	78 Å²	78	51.6 Å²	51.6	51%	0.506	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-21.9	174.3	-26.6	36	0	0	0	114.2	L405 L409 L410	L405-P407 WeakPolarHBondContact O-CD 3.44Å; P407-L409 VanDerWaalsContact C-N 3.26Å; P407-L409 PolarHBondContact O-N 3.4Å; P407-L410 PolarHBondContact O-N 3.03Å
408	A	91.5	Very high	90.4	Very high	29 Å²	29	55.1 Å²	55.1	24%	0.24	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-31.5	174.2	0	0	0	0	0	113.4	L381 D406 R414	L381-A408 HydrophobicContact CD1-CB 4.02Å; D406-A408 PolarHBondContact O-N 3.29Å; D406-A408 WeakPolarHBondContact OD1-CB 3.48Å; D406-A408 PolarHBondContact OD1-N 2.91Å; A408-R414 WeakPolarHBondContact O-CD 3.43Å; A408-R414 PolarHBondContact O-NH1 3.37Å
409	L	92	Very high	90.3	Very high	1 Å²	1	55.1 Å²	55.1	1%	0.005	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-33.9	176.6	-75.3	164.8	0	0	0	112.3	L377 L380 L381 L405 D406 P407 R411 R414 F415	L377-L409 HydrophobicContact CD1-CD1 3.83Å; L377-L409 HydrophobicContact CD1-CD2 3.81Å; L377-L409 HydrophobicContact CD1-CG 3.87Å; L380-L409 HydrophobicContact CD2-CD2 4.14Å; L381-L409 HydrophobicContact CD2-CD2 3.6Å; L381-L409 HydrophobicContact CD2-CG 4.09Å; L405-L409 HydrophobicContact CD2-CD1 4.5Å; D406-L409 WeakPolarHBondContact O-CB 3.32Å; D406-L409 PolarHBondContact O-N 2.9Å; P407-L409 VanDerWaalsContact C-N 3.26Å; P407-L409 PolarHBondContact O-N 3.4Å; L409-R411 VanDerWaalsContact C-N 3.26Å; L409-R411 PolarHBondContact O-N 3.24Å; L409-R414 WeakPolarHBondContact O-CB 3.38Å; L409-F415 HydrophobicContact CB-CD2 4.24Å; L409-F415 HydrophobicContact CD2-CD2 4.13Å; L409-F415 HydrophobicContact CD2-CE2 3.94Å; L409-F415 WeakPolarHBondContact O-CB 3.45Å; L409-F415 PolarHBondContact O-N 3.19Å; L409-F415 VanDerWaalsContact O-N 3.1Å
410	L	90.8	Very high	90.3	Very high	41 Å²	41	61.3 Å²	61.3	22%	0.215	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	8.9	-173.2	-55.5	179.1	0	0	0	113.4	I292 V402 P407 Q418	I292-L410 HydrophobicContact CD1-CD2 4.47Å; I292-L410 HydrophobicContact CG2-CD2 4Å; V402-L410 HydrophobicContact CG2-CD1 4.38Å; P407-L410 PolarHBondContact O-N 3.03Å; L410-Q418 HydrophobicContact CD2-CG 4.36Å
411	R	91.4	Very high	90.3	Very high	175 Å²	175	58.1 Å²	58.1	66%	0.66	29%	0.29	S	S	*	.	S	Bend	trans	-80.7	142.7	-178.5	-164.3	172.1	-170.4	160	4	110.6	L409 G413 R414	L409-R411 VanDerWaalsContact C-N 3.26Å; L409-R411 PolarHBondContact O-N 3.24Å; R411-G413 PolarHBondContact O-N 3.22Å; R411-R414 PolarHBondContact O-N 3.39Å; R411-R414 VanDerWaalsContact O-N 3.09Å
412	P	85.8	Confident	90.4	Very high	112 Å²	112	54.4 Å²	54.4	73%	0.727	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	134.1	174.5	-29.3	36.1	0	0	0	112.5
413	G	84.1	Confident	90.5	Very high	26 Å²	26	55.1 Å²	55.1	27%	0.268	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.3	-3.5	-171.1	0	0	0	0	0	114.9	R289 R411	R289-G413 WeakPolarHBondContact CD-O 3.42Å; R411-G413 PolarHBondContact O-N 3.22Å
414	R	91.3	Very high	90.6	Very high	39 Å²	39	50.6 Å²	50.6	15%	0.147	26%	0.26	C	S	.	.	S	Bend	trans	-121.8	-105.7	176.2	-63.4	164.4	177.6	-174.2	-5.7	109.8	G290 M384 D385 A408 L409 R411 D416	G290-R414 PolarHBondContact N-O 3.19Å; M384-R414 HydrophobicContact CB-CG 4.18Å; M384-R414 VanDerWaalsContact CE-O 3.32Å; M384-R414 WeakPolarHBondContact CE-O 3.42Å; D385-R414 WeakPolarHBondContact OD1-CG 3.32Å; D385-R414 IonicContact OD1-CZ 3.73Å; D385-R414 IonicContact OD1-NE 2.85Å; D385-R414 PolarHBondContact OD1-NE 3.43Å; D385-R414 IonicContact OD1-NH2 2.77Å; D385-R414 IonicContact OD2-CZ 3.63Å; D385-R414 IonicContact OD2-NE 3.65Å; D385-R414 PolarHBondContact OD2-NE 3.05Å; D385-R414 IonicContact OD2-NH2 3.93Å; D385-R414 PolarHBondContact OD2-NH2 2.86Å; A408-R414 WeakPolarHBondContact O-CD 3.43Å; A408-R414 PolarHBondContact O-NH1 3.37Å; L409-R414 WeakPolarHBondContact O-CB 3.38Å; R411-R414 PolarHBondContact O-N 3.39Å; R411-R414 VanDerWaalsContact O-N 3.09Å; R414-D416 PolarHBondContact O-N 3.44Å
415	F	91.3	Very high	90.5	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.276	C	S	.	.	S	Bend	trans	-91.2	79.4	164.6	-64	-73.2	0	0	0	108.9	G290 I292 I356 V395 A397 L409	G290-F415 CarbonylContact O-C 3.54Å; G290-F415 WeakPolarHBondContact O-CA 3.14Å; I292-F415 HydrophobicContact CB-CB 4.34Å; I292-F415 HydrophobicContact CB-CD1 4.45Å; I292-F415 HydrophobicContact CB-CG 4.46Å; I292-F415 HydrophobicContact CG2-CB 4.44Å; I356-F415 HydrophobicContact CD1-CD2 4.44Å; I356-F415 HydrophobicContact CD1-CE2 3.58Å; I356-F415 HydrophobicContact CD1-CZ 3.76Å; V395-F415 HydrophobicContact CB-CE1 4.42Å; V395-F415 HydrophobicContact CG1-CE1 3.91Å; V395-F415 HydrophobicContact CG1-CZ 4.01Å; A397-F415 HydrophobicContact CB-CD1 4.16Å; A397-F415 HydrophobicContact CB-CE1 3.52Å; A397-F415 HydrophobicContact CB-CE2 4.47Å; A397-F415 HydrophobicContact CB-CZ 3.7Å; L409-F415 HydrophobicContact CB-CD2 4.24Å; L409-F415 HydrophobicContact CD2-CD2 4.13Å; L409-F415 HydrophobicContact CD2-CE2 3.94Å; L409-F415 WeakPolarHBondContact O-CB 3.45Å; L409-F415 PolarHBondContact O-N 3.19Å; L409-F415 VanDerWaalsContact O-N 3.1Å
416	D	86.3	Confident	90.4	Very high	55 Å²	55	54.2 Å²	54.2	29%	0.294	28%	0.28	S	S	.	.			trans	-77.7	-19.7	-175.8	63.5	-70.3	0	0	0	113.4	P288 R289 G290 R414	P288-D416 WeakPolarHBondContact CA-OD2 3.32Å; P288-D416 VanDerWaalsContact CB-OD2 3.32Å; P288-D416 WeakPolarHBondContact CB-OD2 3.21Å; R289-D416 PolarHBondContact N-OD1 3.46Å; G290-D416 PolarHBondContact N-OD1 2.8Å; G290-D416 PolarHBondContact O-N 2.71Å; G290-D416 VanDerWaalsContact O-N 3.12Å; R414-D416 PolarHBondContact O-N 3.44Å
417	R	90.3	Very high	90.4	Very high	79 Å²	79	54.1 Å²	54.1	30%	0.298	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	139.1	170.4	-62.7	-57.9	-166.6	113.1	13.4	112.1	E266 E269 F270 P288 G290 A291 I292	E266-R417 IonicContact OE2-NH1 2.84Å; E269-R417 IonicContact OE2-CZ 2.98Å; E269-R417 IonicContact OE2-NH1 2.74Å; E269-R417 IonicContact OE2-NH2 2.71Å; E269-R417 PolarHBondContact OE2-NH2 3.1Å; F270-R417 HydrophobicContact CE2-CG 4.24Å; F270-R417 HydrophobicContact CZ-CB 4.15Å; F270-R417 HydrophobicContact CZ-CG 3.84Å; P288-R417 HydrophobicContact CB-CG 4.23Å; G290-R417 PolarHBondContact O-N 3.15Å; A291-R417 CarbonylContact C-O 3.53Å; A291-R417 WeakPolarHBondContact CA-O 3.37Å; A291-R417 HydrophobicContact CB-CB 3.88Å; I292-R417 PolarHBondContact N-O 3.25Å
418	Q	92.3	Very high	90.4	Very high	73 Å²	73	50.4 Å²	50.4	34%	0.341	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	89	178.3	-60	-173.9	23.3	0	0	111.1	I292 K294 L410	I292-Q418 HydrophobicContact CG2-CB 4.06Å; I292-Q418 HydrophobicContact CG2-CG 3.78Å; I292-Q418 CarbonylContact O-C 3.53Å; K294-Q418 HydrophobicContact CD-CB 4.39Å; K294-Q418 WeakPolarHBondContact CE-O 3.35Å; L410-Q418 HydrophobicContact CD2-CG 4.36Å
419	I	94.1	Very high	90.5	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	119.1	-171.2	-49.5	-178.2	0	0	0	108.6	A263 E266 I267 F270 A291 I292 L293 K294	A263-I419 HydrophobicContact CB-CG2 3.61Å; E266-I419 HydrophobicContact CB-CD1 3.83Å; E266-I419 HydrophobicContact CB-CG1 4.22Å; E266-I419 HydrophobicContact CB-CG2 4.46Å; I267-I419 HydrophobicContact CD1-CD1 4.19Å; I267-I419 HydrophobicContact CG1-CD1 3.48Å; I267-I419 VanDerWaalsContact CG1-CD1 3.48Å; F270-I419 HydrophobicContact CE2-CD1 4.44Å; A291-I419 HydrophobicContact CB-CD1 3.96Å; A291-I419 HydrophobicContact CB-CG1 4.34Å; I292-I419 PolarHBondContact O-N 3.4Å; L293-I419 WeakPolarHBondContact CA-O 3.46Å; L293-I419 HydrophobicContact CD2-CB 3.96Å; L293-I419 HydrophobicContact CD2-CD1 4.19Å; L293-I419 HydrophobicContact CD2-CG1 4.47Å; L293-I419 HydrophobicContact CD2-CG2 4.43Å; K294-I419 WeakPolarHBondContact CG-O 3.09Å; K294-I419 PolarHBondContact N-O 3.07Å
420	Y	94.1	Very high	90.5	Very high	132 Å²	132	49.6 Å²	49.6	52%	0.518	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	118	177.8	-175.6	-114	0	0	0	110.5	K294	K294-Y420 HydrophobicContact CG-CD2 4.2Å; K294-Y420 CarbonylContact O-C 3.57Å; K294-Y420 WeakPolarHBondContact O-CA 3.4Å; K294-Y420 WeakPolarHBondContact O-CD2 3.19Å
421	V	94	Very high	90.7	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.006	24%	0.24	C	C	.	.			trans	-100.8	91.8	174.9	-168.1	0	0	0	0	107.8	C260 A263 L293 K294 T299 K301 L304	C260-V421 HydrophobicContact CB-CG1 4.36Å; A263-V421 HydrophobicContact CB-CG2 4.19Å; L293-V421 HydrophobicContact CB-CG2 4.49Å; K294-V421 PolarHBondContact O-N 2.79Å; T299-V421 WeakPolarHBondContact O-CG1 3.3Å; T299-V421 PolarHBondContact OG1-O 3.4Å; K301-V421 HydrophobicContact CG-CB 4.13Å; K301-V421 HydrophobicContact CG-CG2 4.13Å; L304-V421 HydrophobicContact CD2-CG2 4.09Å
422	S	91.4	Very high	90.8	Very high	40 Å²	40	40.8 Å²	40.8	28%	0.28	21%	0.212	S	C	.	.	P	Polyproline II helix	trans	-63.7	172.8	179.6	50.8	0	0	0	0	113.2	T299	T299-S422 WeakPolarHBondContact CB-O 3.44Å; T299-S422 VanDerWaalsContact CG2-O 3.26Å; T299-S422 WeakPolarHBondContact CG2-O 3.45Å
423	L	91.2	Very high	91.3	Very high	68 Å²	68	35.5 Å²	35.5	36%	0.356	18%	0.177	S	C	.	.	P	Polyproline II helix	trans	-69.5	145.5	160.7	-71.8	166.8	0	0	0	109	P296 T299	P296-L423 HydrophobicContact CG-CG 4.3Å; T299-L423 HydrophobicContact CG2-CD2 4.04Å
424	P	90.9	Very high	91.8	Very high	8 Å²	8	36.2 Å²	36.2	5%	0.052	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-71.8	131.3	-177	28.4	-35.5	0	0	0	113.3	R429 I432 F460	P424-R429 HydrophobicContact CB-CG 3.92Å; P424-R429 HydrophobicContact CG-CG 3.75Å; P424-R429 WeakPolarHBondContact O-CG 3.22Å; P424-R429 PolarHBondContact O-NH1 3.35Å; P424-I432 HydrophobicContact CB-CD1 3.61Å; P424-I432 HydrophobicContact CG-CD1 3.77Å; P424-F460 WeakPolarHBondContact CD-O 3.5Å; P424-F460 WeakPolarHBondContact CG-O 3.44Å
425	D	88.1	Confident	91.9	Very high	112 Å²	112	35.9 Å²	35.9	60%	0.599	17%	0.174	S	C	*	.	P	Polyproline II helix	trans	-61.4	168.9	170.3	-68.9	-11.1	0	0	0	111.9	K427 G428 R429	D425-K427 VanDerWaalsContact C-N 3.26Å; D425-K427 PolarHBondContact O-N 3.07Å; D425-G428 CarbonylContact O-C 3.43Å; D425-G428 WeakPolarHBondContact O-CA 3.36Å; D425-G428 PolarHBondContact O-N 3.43Å; D425-R429 WeakPolarHBondContact O-CG 3.48Å; D425-R429 PolarHBondContact O-N 2.74Å
426	I	87.6	Confident	92	Very high	23 Å²	23	39.1 Å²	39.1	12%	0.118	19%	0.189	C	C	.	.	H	α-helix	trans	-55.2	-39.7	-178.4	-166	176	0	0	0	113.4	A430 A454 Y700 L703 V704	I426-A430 PolarHBondContact O-N 3.27Å; I426-A430 VanDerWaalsContact O-N 3.12Å; I426-A454 HydrophobicContact CG1-CB 4.35Å; I426-Y700 HydrophobicContact CD1-CD2 3.68Å; I426-Y700 HydrophobicContact CD1-CE2 4.24Å; I426-Y700 HydrophobicContact CD1-CG 4.38Å; I426-Y700 HydrophobicContact CG1-CD2 3.69Å; I426-Y700 HydrophobicContact CG1-CE2 3.81Å; I426-L703 HydrophobicContact CD1-CB 3.67Å; I426-L703 HydrophobicContact CD1-CD1 3.6Å; I426-L703 HydrophobicContact CD1-CG 4.27Å; I426-V704 HydrophobicContact CG2-CG2 3.82Å
427	K	89.4	Confident	92.5	Very high	44 Å²	44	36.6 Å²	36.6	19%	0.191	18%	0.175	C	C	.	.	H	α-helix	trans	-63.3	-50.5	173.7	-66.1	-178.9	168	-156.4	0	111.3	D425 R429 A430 S431 V704 S708 D710 E711	D425-K427 VanDerWaalsContact C-N 3.26Å; D425-K427 PolarHBondContact O-N 3.07Å; K427-R429 VanDerWaalsContact C-N 3.33Å; K427-R429 PolarHBondContact O-N 3.15Å; K427-A430 WeakPolarHBondContact O-CB 3.32Å; K427-A430 PolarHBondContact O-N 3.15Å; K427-A430 VanDerWaalsContact O-N 3.07Å; K427-S431 PolarHBondContact O-N 3.46Å; K427-S431 PolarHBondContact O-OG 3Å; K427-V704 HydrophobicContact CG-CG2 4.19Å; K427-S708 WeakPolarHBondContact CE-O 3.23Å; K427-S708 PolarHBondContact NZ-O 3.21Å; K427-S708 PolarHBondContact NZ-OG 3.35Å; K427-D710 WeakPolarHBondContact CD-O 3.38Å; K427-D710 WeakPolarHBondContact CE-O 3.48Å; K427-D710 PolarHBondContact NZ-O 3.16Å; K427-E711 HydrophobicContact CB-CB 4.27Å
428	G	91.2	Very high	92.6	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.01	19%	0.189	C	C	.	.	H	α-helix	trans	-57.6	-42.6	177.6	0	0	0	0	0	112.9	D425 A430 S431 I432	D425-G428 CarbonylContact O-C 3.43Å; D425-G428 WeakPolarHBondContact O-CA 3.36Å; D425-G428 PolarHBondContact O-N 3.43Å; G428-A430 PolarHBondContact O-N 2.93Å; G428-S431 WeakPolarHBondContact O-CB 3.49Å; G428-S431 PolarHBondContact O-N 2.84Å; G428-I432 VanDerWaalsContact O-CG1 3.23Å; G428-I432 WeakPolarHBondContact O-CG1 3.43Å; G428-I432 PolarHBondContact O-N 3.38Å
429	R	92.9	Very high	92.6	Very high	12 Å²	12	41.1 Å²	41.1	5%	0.045	21%	0.208	C	C	.	.	H	α-helix	trans	-60.1	-45.1	173.4	-66.6	-165.3	-58.8	-86.8	6.5	111.5	P424 D425 K427 S431 I432 F433 A454 T457 I465	P424-R429 HydrophobicContact CB-CG 3.92Å; P424-R429 HydrophobicContact CG-CG 3.75Å; P424-R429 WeakPolarHBondContact O-CG 3.22Å; P424-R429 PolarHBondContact O-NH1 3.35Å; D425-R429 WeakPolarHBondContact O-CG 3.48Å; D425-R429 PolarHBondContact O-N 2.74Å; K427-R429 VanDerWaalsContact C-N 3.33Å; K427-R429 PolarHBondContact O-N 3.15Å; R429-S431 VanDerWaalsContact C-N 3.32Å; R429-S431 PolarHBondContact O-N 3.28Å; R429-I432 PolarHBondContact O-N 3.21Å; R429-F433 WeakPolarHBondContact O-CD2 3.24Å; R429-F433 PolarHBondContact O-N 3.44Å; R429-A454 HydrophobicContact CB-CB 3.89Å; R429-A454 PolarHBondContact NE-O 2.96Å; R429-A454 VanDerWaalsContact NE-O 3.11Å; R429-A454 PolarHBondContact NH2-O 3.49Å; R429-T457 WeakPolarHBondContact CD-O 3.38Å; R429-T457 PolarHBondContact NE-O 2.59Å; R429-I465 HydrophobicContact CB-CD1 3.84Å; R429-I465 HydrophobicContact CG-CD1 3.71Å
430	A	92.9	Very high	92.6	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-61.1	-39.9	176.1	0	0	0	0	0	111.8	I426 K427 G428 F433 K434 A454 Y700	I426-A430 PolarHBondContact O-N 3.27Å; I426-A430 VanDerWaalsContact O-N 3.12Å; K427-A430 WeakPolarHBondContact O-CB 3.32Å; K427-A430 PolarHBondContact O-N 3.15Å; K427-A430 VanDerWaalsContact O-N 3.07Å; G428-A430 PolarHBondContact O-N 2.93Å; A430-F433 PolarHBondContact O-N 2.97Å; A430-K434 VanDerWaalsContact O-CG 3.3Å; A430-K434 WeakPolarHBondContact O-CG 3.5Å; A430-K434 PolarHBondContact O-N 3.39Å; A430-A454 HydrophobicContact CB-CB 3.85Å; A430-Y700 HydrophobicContact CB-CE2 3.92Å
431	S	93.2	Very high	92.6	Very high	19 Å²	19	43.4 Å²	43.4	13%	0.133	22%	0.222	C	C	.	.	H	α-helix	trans	-64.1	-43.6	173.1	-58.9	0	0	0	0	113	K427 G428 R429 K434 I435 E711	K427-S431 PolarHBondContact O-N 3.46Å; K427-S431 PolarHBondContact O-OG 3Å; G428-S431 WeakPolarHBondContact O-CB 3.49Å; G428-S431 PolarHBondContact O-N 2.84Å; R429-S431 VanDerWaalsContact C-N 3.32Å; R429-S431 PolarHBondContact O-N 3.28Å; S431-K434 WeakPolarHBondContact O-CB 3.47Å; S431-K434 PolarHBondContact O-N 3.02Å; S431-I435 PolarHBondContact O-N 3.39Å; S431-I435 VanDerWaalsContact O-N 3.09Å; S431-E711 WeakPolarHBondContact CB-OE2 3.46Å; S431-E711 PolarHBondContact OG-OE2 3.15Å
432	I	94.7	Very high	92.6	Very high	13 Å²	13	44.9 Å²	44.9	7%	0.067	23%	0.229	C	C	.	.	H	α-helix	trans	-64	-42.3	176.4	-65.9	162.9	0	0	0	110.8	A258 P424 G428 R429 I435 H436 I465	A258-I432 HydrophobicContact CB-CG1 4.01Å; A258-I432 WeakPolarHBondContact O-CG1 3.4Å; P424-I432 HydrophobicContact CB-CD1 3.61Å; P424-I432 HydrophobicContact CG-CD1 3.77Å; G428-I432 VanDerWaalsContact O-CG1 3.23Å; G428-I432 WeakPolarHBondContact O-CG1 3.43Å; G428-I432 PolarHBondContact O-N 3.38Å; R429-I432 PolarHBondContact O-N 3.21Å; I432-I435 PolarHBondContact O-N 3.06Å; I432-I435 VanDerWaalsContact O-N 3.16Å; I432-H436 PolarHBondContact O-CD2 2.85Å; I432-H436 PolarHBondContact O-N 3.37Å; I432-I465 HydrophobicContact CB-CD1 4.28Å; I432-I465 HydrophobicContact CB-CG2 4.49Å; I432-I465 HydrophobicContact CD1-CD1 4.5Å; I432-I465 HydrophobicContact CG2-CB 4.01Å; I432-I465 HydrophobicContact CG2-CD1 4.09Å; I432-I465 HydrophobicContact CG2-CG2 3.7Å
433	F	95.7	Very high	92.6	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-57.3	-50.4	170.6	-85.3	-69.3	0	0	0	110.7	R429 A430 I435 H436 L437 A450 M453 A454 T457 I465 V468	R429-F433 WeakPolarHBondContact O-CD2 3.24Å; R429-F433 PolarHBondContact O-N 3.44Å; A430-F433 PolarHBondContact O-N 2.97Å; F433-I435 PolarHBondContact O-N 2.71Å; F433-I435 VanDerWaalsContact O-N 3.1Å; F433-H436 PolarHBondContact O-N 3.24Å; F433-H436 VanDerWaalsContact O-N 3.13Å; F433-L437 HydrophobicContact CB-CD1 4.13Å; F433-L437 VanDerWaalsContact O-CB 3.25Å; F433-L437 WeakPolarHBondContact O-CB 3.44Å; F433-L437 WeakPolarHBondContact O-CG 3.42Å; F433-L437 PolarHBondContact O-N 3.21Å; F433-A450 HydrophobicContact CB-CB 3.78Å; F433-M453 HydrophobicContact CD1-CB 4.03Å; F433-M453 HydrophobicContact CD2-CB 4.03Å; F433-M453 HydrophobicContact CE1-CB 3.68Å; F433-M453 HydrophobicContact CE1-CG 4.3Å; F433-M453 HydrophobicContact CE2-CB 3.7Å; F433-M453 HydrophobicContact CG-CB 4.22Å; F433-M453 HydrophobicContact CZ-CB 3.53Å; F433-A454 HydrophobicContact CD2-CB 4.29Å; F433-T457 WeakPolarHBondContact CE2-OG1 3.45Å; F433-T457 HydrophobicContact CZ-CG2 4.09Å; F433-I465 HydrophobicContact CD1-CG2 3.66Å; F433-I465 HydrophobicContact CD2-CD1 4.45Å; F433-I465 HydrophobicContact CD2-CG2 3.99Å; F433-I465 HydrophobicContact CE1-CG2 3.64Å; F433-I465 HydrophobicContact CE2-CD1 4.13Å; F433-I465 HydrophobicContact CE2-CG1 3.99Å; F433-I465 HydrophobicContact CE2-CG2 3.95Å; F433-I465 HydrophobicContact CG-CG2 3.82Å; F433-I465 HydrophobicContact CZ-CB 4.37Å; F433-I465 HydrophobicContact CZ-CG1 4.04Å; F433-I465 HydrophobicContact CZ-CG2 3.76Å; F433-V468 HydrophobicContact CE1-CG1 4.3Å
434	K	94.3	Very high	92.4	Very high	42 Å²	42	45.9 Å²	45.9	18%	0.183	24%	0.239	C	C	.	.	H	α-helix	trans	-53.8	-32.9	176.3	-70.2	168.4	-169.4	172.6	0	112.6	A430 S431 K438 A450 D710	A430-K434 VanDerWaalsContact O-CG 3.3Å; A430-K434 WeakPolarHBondContact O-CG 3.5Å; A430-K434 PolarHBondContact O-N 3.39Å; S431-K434 WeakPolarHBondContact O-CB 3.47Å; S431-K434 PolarHBondContact O-N 3.02Å; K434-K438 WeakPolarHBondContact O-CG 3.32Å; K434-A450 HydrophobicContact CG-CB 3.85Å; K434-D710 IonicContact NZ-OD1 3.11Å; K434-D710 PolarHBondContact NZ-OD1 3.23Å
435	I	93.6	Very high	92.5	Very high	31 Å²	31	50.1 Å²	50.1	16%	0.159	26%	0.262	C	S	.	.	H	α-helix	trans	-72.3	-52	175.6	-65.7	168.2	0	0	0	111.3	A258 S431 I432 F433 L437 K438	A258-I435 HydrophobicContact CB-CD1 3.65Å; S431-I435 PolarHBondContact O-N 3.39Å; S431-I435 VanDerWaalsContact O-N 3.09Å; I432-I435 PolarHBondContact O-N 3.06Å; I432-I435 VanDerWaalsContact O-N 3.16Å; F433-I435 PolarHBondContact O-N 2.71Å; F433-I435 VanDerWaalsContact O-N 3.1Å; I435-L437 VanDerWaalsContact C-N 3.3Å; I435-L437 PolarHBondContact O-N 2.95Å; I435-K438 PolarHBondContact O-N 3.29Å
436	H	94.5	Very high	92.7	Very high	69 Å²	69	47.9 Å²	47.9	32%	0.319	25%	0.249	S	C	.	.	H	α-helix	trans	-74.6	-15.5	-176.8	-71.8	-68	0	0	0	114.7	I432 F433 P439 C469	I432-H436 PolarHBondContact O-CD2 2.85Å; I432-H436 PolarHBondContact O-N 3.37Å; F433-H436 PolarHBondContact O-N 3.24Å; F433-H436 VanDerWaalsContact O-N 3.13Å; H436-P439 WeakPolarHBondContact O-CD 3.47Å; H436-C469 HydrophobicContact CB-CB 4.03Å
437	L	95.3	Very high	92.8	Very high	2 Å²	2	51.6 Å²	51.6	1%	0.01	27%	0.265	C	S	.	.	H	α-helix	trans	-82.9	-23.5	174.9	-68.1	174.1	0	0	0	113.3	F433 I435 I440 L442 M446 V449 A450 F489	F433-L437 HydrophobicContact CB-CD1 4.13Å; F433-L437 VanDerWaalsContact O-CB 3.25Å; F433-L437 WeakPolarHBondContact O-CB 3.44Å; F433-L437 WeakPolarHBondContact O-CG 3.42Å; F433-L437 PolarHBondContact O-N 3.21Å; I435-L437 VanDerWaalsContact C-N 3.3Å; I435-L437 PolarHBondContact O-N 2.95Å; L437-I440 PolarHBondContact O-N 3.03Å; L437-L442 HydrophobicContact CB-CD1 4.35Å; L437-L442 HydrophobicContact CD1-CD1 4.38Å; L437-L442 HydrophobicContact CD2-CD1 4.32Å; L437-L442 HydrophobicContact CD2-CD2 4.15Å; L437-M446 HydrophobicContact CB-CG 3.89Å; L437-M446 HydrophobicContact CB-SD 4.15Å; L437-M446 HydrophobicContact CD1-CG 4.16Å; L437-V449 HydrophobicContact CD1-CB 4.46Å; L437-V449 HydrophobicContact CD1-CG1 4.05Å; L437-A450 HydrophobicContact CD1-CB 4.07Å; L437-F489 HydrophobicContact CD2-CE1 3.79Å; L437-F489 HydrophobicContact CD2-CZ 3.49Å; L437-F489 VanDerWaalsContact CD2-CZ 3.49Å
438	K	92.7	Very high	92.8	Very high	132 Å²	132	53.2 Å²	53.2	57%	0.574	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.2	-45.5	176.9	-76.9	165.8	-174.7	176	0	115	K434 I435 I440 M446	K434-K438 WeakPolarHBondContact O-CG 3.32Å; I435-K438 PolarHBondContact O-N 3.29Å; K438-I440 VanDerWaalsContact C-N 3.3Å; K438-I440 PolarHBondContact O-N 2.81Å; K438-M446 HydrophobicContact CG-SD 4.46Å
439	P	93.3	Very high	92.9	Very high	114 Å²	114	53.3 Å²	53.3	74%	0.74	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-2.1	178.6	32.1	-36.9	0	0	0	114.5	H436	H436-P439 WeakPolarHBondContact O-CD 3.47Å
440	I	94.3	Very high	92.9	Very high	31 Å²	31	52.7 Å²	52.7	16%	0.159	27%	0.274	C	S	.	.	S	Bend	trans	-103.8	131.3	-172.4	-58.8	-179.2	0	0	0	110.4	L437 K438 L442 C469 V484	L437-I440 PolarHBondContact O-N 3.03Å; K438-I440 VanDerWaalsContact C-N 3.3Å; K438-I440 PolarHBondContact O-N 2.81Å; I440-L442 HydrophobicContact CG2-CD2 4.07Å; I440-L442 PolarHBondContact O-N 2.96Å; I440-L442 VanDerWaalsContact O-N 3.16Å; I440-C469 HydrophobicContact CD1-CB 3.79Å; I440-C469 WeakPolarHBondContact CD1-O 3.27Å; I440-V484 HydrophobicContact CG2-CB 4.08Å; I440-V484 HydrophobicContact CG2-CG2 3.49Å; I440-V484 VanDerWaalsContact CG2-CG2 3.49Å
441	K	94.3	Very high	92.8	Very high	150 Å²	150	54.9 Å²	54.9	65%	0.652	28%	0.282	S	S	*	.			trans	-77.9	99.2	174	-172.4	-176.9	173.5	-155.5	0	110.7	H482 S483 V484	K441-H482 WeakPolarHBondContact CD-O 3.18Å; K441-H482 WeakPolarHBondContact CE-O 3.25Å; K441-H482 PolarHBondContact NZ-O 3.26Å; K441-S483 WeakPolarHBondContact O-CA 3.37Å; K441-V484 PolarHBondContact O-N 3.34Å
442	L	94	Very high	92.7	Very high	32 Å²	32	58.9 Å²	58.9	17%	0.168	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-83	159.4	176.6	-61.4	180	0	0	0	112.6	L437 I440 D444 M446 V449 V484 F489	L437-L442 HydrophobicContact CB-CD1 4.35Å; L437-L442 HydrophobicContact CD1-CD1 4.38Å; L437-L442 HydrophobicContact CD2-CD1 4.32Å; L437-L442 HydrophobicContact CD2-CD2 4.15Å; I440-L442 HydrophobicContact CG2-CD2 4.07Å; I440-L442 PolarHBondContact O-N 2.96Å; I440-L442 VanDerWaalsContact O-N 3.16Å; L442-D444 WeakPolarHBondContact CB-O 3.48Å; L442-M446 HydrophobicContact CD1-CB 3.99Å; L442-M446 HydrophobicContact CD1-CG 4.21Å; L442-V449 HydrophobicContact CD1-CB 4.43Å; L442-V449 HydrophobicContact CD1-CG2 4.41Å; L442-V484 HydrophobicContact CD2-CB 4.18Å; L442-F489 HydrophobicContact CD2-CE2 3.82Å; L442-F489 HydrophobicContact CD2-CZ 3.82Å
443	A	89.7	Confident	92.5	Very high	56 Å²	56	58.3 Å²	58.3	46%	0.463	29%	0.294	S	S	.	.	S	Bend	trans	-90.2	-40.3	165.9	0	0	0	0	0	112.6	V484 N485	A443-V484 PolarHBondContact N-O 2.93Å; A443-N485 WeakPolarHBondContact CB-OD1 3.37Å
444	D	88.9	Confident	92.3	Very high	72 Å²	72	58.3 Å²	58.3	39%	0.385	29%	0.294	S	S	.	.	S	Bend	trans	-94.4	168.2	179.6	-62.5	-53.4	0	0	0	111.9	L442 M446 V449	L442-D444 WeakPolarHBondContact CB-O 3.48Å; D444-M446 PolarHBondContact O-N 3Å; D444-V449 HydrophobicContact CB-CG2 3.69Å
445	D	91.7	Very high	92	Very high	97 Å²	97	56.9 Å²	56.9	52%	0.519	29%	0.29	S	S	.	.			trans	-60	131.9	173.1	169.8	41.6	0	0	0	112.3	Q447 L448 V449	D445-Q447 VanDerWaalsContact C-N 3.28Å; D445-Q447 PolarHBondContact O-N 3.19Å; D445-Q447 PolarHBondContact OD1-N 3.44Å; D445-Q447 WeakPolarHBondContact OD2-CB 3.31Å; D445-Q447 PolarHBondContact OD2-N 3.25Å; D445-L448 HydrophobicContact CB-CB 4.32Å; D445-L448 PolarHBondContact O-N 2.94Å; D445-L448 PolarHBondContact OD2-N 3.43Å; D445-V449 WeakPolarHBondContact O-CG2 3.37Å; D445-V449 PolarHBondContact O-N 3.19Å
446	M	92	Very high	91.7	Very high	66 Å²	66	59.1 Å²	59.1	33%	0.325	30%	0.297	S	S	.	.	H	α-helix	trans	-57.1	-36.7	-179.2	-176	-178.8	65.7	0	0	112.9	L437 K438 L442 D444 A450	L437-M446 HydrophobicContact CB-CG 3.89Å; L437-M446 HydrophobicContact CB-SD 4.15Å; L437-M446 HydrophobicContact CD1-CG 4.16Å; K438-M446 HydrophobicContact CG-SD 4.46Å; L442-M446 HydrophobicContact CD1-CB 3.99Å; L442-M446 HydrophobicContact CD1-CG 4.21Å; D444-M446 PolarHBondContact O-N 3Å; M446-A450 VanDerWaalsContact O-CB 3.24Å; M446-A450 WeakPolarHBondContact O-CB 3.24Å; M446-A450 PolarHBondContact O-N 2.74Å
447	Q	89.8	Confident	91.4	Very high	100 Å²	100	55.9 Å²	55.9	47%	0.467	28%	0.282	S	S	.	.	H	α-helix	trans	-70.5	-44.8	-180	-56.4	-167.3	3.2	0	0	111.6	D445 A450 R451	D445-Q447 VanDerWaalsContact C-N 3.28Å; D445-Q447 PolarHBondContact O-N 3.19Å; D445-Q447 PolarHBondContact OD1-N 3.44Å; D445-Q447 WeakPolarHBondContact OD2-CB 3.31Å; D445-Q447 PolarHBondContact OD2-N 3.25Å; Q447-A450 PolarHBondContact O-N 3.48Å; Q447-R451 PolarHBondContact O-N 3Å
448	L	90.9	Very high	91	Very high	78 Å²	78	56.6 Å²	56.6	41%	0.408	29%	0.286	S	S	.	.	H	α-helix	trans	-61.7	-44.4	176.4	-178.7	151.9	0	0	0	111.7	D445 K452	D445-L448 HydrophobicContact CB-CB 4.32Å; D445-L448 PolarHBondContact O-N 2.94Å; D445-L448 PolarHBondContact OD2-N 3.43Å; L448-K452 HydrophobicContact CD2-CD 3.81Å; L448-K452 WeakPolarHBondContact O-CB 3.42Å; L448-K452 WeakPolarHBondContact O-CG 3.3Å; L448-K452 PolarHBondContact O-N 3.38Å; L448-K452 VanDerWaalsContact O-N 3.09Å
449	V	92.4	Very high	90.7	Very high	3 Å²	3	52.4 Å²	52.4	2%	0.018	28%	0.281	C	S	.	.	H	α-helix	trans	-61.2	-48.9	174.8	174.9	0	0	0	0	110.6	L437 L442 D444 D445 R451 K452 M453 L486 F489	L437-V449 HydrophobicContact CD1-CB 4.46Å; L437-V449 HydrophobicContact CD1-CG1 4.05Å; L442-V449 HydrophobicContact CD1-CB 4.43Å; L442-V449 HydrophobicContact CD1-CG2 4.41Å; D444-V449 HydrophobicContact CB-CG2 3.69Å; D445-V449 WeakPolarHBondContact O-CG2 3.37Å; D445-V449 PolarHBondContact O-N 3.19Å; V449-R451 PolarHBondContact O-N 3.2Å; V449-K452 PolarHBondContact O-N 3.45Å; V449-M453 HydrophobicContact CG1-CG 4.11Å; V449-M453 WeakPolarHBondContact O-CB 3.37Å; V449-M453 VanDerWaalsContact O-CG 3.29Å; V449-M453 WeakPolarHBondContact O-CG 3.49Å; V449-M453 PolarHBondContact O-N 2.9Å; V449-L486 HydrophobicContact CG1-CD2 4.39Å; V449-L486 HydrophobicContact CG2-CD2 4.17Å; V449-F489 HydrophobicContact CG1-CD2 4.36Å; V449-F489 HydrophobicContact CG1-CE2 3.95Å; V449-F489 HydrophobicContact CG1-CZ 4.24Å
450	A	93.1	Very high	90.6	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-59.1	-43.4	-178.8	0	0	0	0	0	113.2	F433 K434 L437 M446 Q447 A454	F433-A450 HydrophobicContact CB-CB 3.78Å; K434-A450 HydrophobicContact CG-CB 3.85Å; L437-A450 HydrophobicContact CD1-CB 4.07Å; M446-A450 VanDerWaalsContact O-CB 3.24Å; M446-A450 WeakPolarHBondContact O-CB 3.24Å; M446-A450 PolarHBondContact O-N 2.74Å; Q447-A450 PolarHBondContact O-N 3.48Å; A450-A454 VanDerWaalsContact O-CB 3.3Å; A450-A454 WeakPolarHBondContact O-CB 3.42Å; A450-A454 PolarHBondContact O-N 3.36Å
451	R	91.2	Very high	90.6	Very high	46 Å²	46	46.8 Å²	46.8	17%	0.174	24%	0.244	C	C	.	.	H	α-helix	trans	-66.9	-44.7	177.1	-72.2	-176.9	-179.2	166	4.6	112.2	Q447 V449 M453 A454 A455 Y700 D710	Q447-R451 PolarHBondContact O-N 3Å; V449-R451 PolarHBondContact O-N 3.2Å; R451-M453 PolarHBondContact O-N 3.28Å; R451-A454 PolarHBondContact O-N 3.05Å; R451-A455 PolarHBondContact O-N 3.44Å; R451-Y700 HydrophobicContact CB-CD1 4.27Å; R451-Y700 HydrophobicContact CB-CD2 4.17Å; R451-Y700 HydrophobicContact CB-CG 4Å; R451-Y700 HydrophobicContact CG-CD1 4.01Å; R451-Y700 HydrophobicContact CG-CD2 4.28Å; R451-Y700 HydrophobicContact CG-CE1 4.02Å; R451-Y700 HydrophobicContact CG-CE2 4.28Å; R451-Y700 HydrophobicContact CG-CG 4.17Å; R451-D710 IonicContact NH2-OD1 2.7Å; R451-D710 PolarHBondContact NH2-OD1 2.67Å; R451-D710 IonicContact NH2-OD2 2.73Å; R451-D710 PolarHBondContact NH2-OD2 3.38Å
452	K	90.1	Very high	90.5	Very high	103 Å²	103	40.3 Å²	40.3	45%	0.448	22%	0.221	S	C	.	.	H	α-helix	trans	-60.5	-42.9	175.9	-75.1	-174.5	-179.8	-177.1	0	112.2	L448 V449 R456 L486	L448-K452 HydrophobicContact CD2-CD 3.81Å; L448-K452 WeakPolarHBondContact O-CB 3.42Å; L448-K452 WeakPolarHBondContact O-CG 3.3Å; L448-K452 PolarHBondContact O-N 3.38Å; L448-K452 VanDerWaalsContact O-N 3.09Å; V449-K452 PolarHBondContact O-N 3.45Å; K452-R456 PolarHBondContact O-N 3.29Å; K452-L486 HydrophobicContact CD-CD1 4.25Å; K452-L486 HydrophobicContact CD-CD2 4.48Å
453	M	92	Very high	90.5	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-70.3	-41.1	179.6	-64.8	-55.7	97.5	0	0	112.1	F433 V449 R451 A455 R456 T457 L486 F489 I493	F433-M453 HydrophobicContact CD1-CB 4.03Å; F433-M453 HydrophobicContact CD2-CB 4.03Å; F433-M453 HydrophobicContact CE1-CB 3.68Å; F433-M453 HydrophobicContact CE1-CG 4.3Å; F433-M453 HydrophobicContact CE2-CB 3.7Å; F433-M453 HydrophobicContact CG-CB 4.22Å; F433-M453 HydrophobicContact CZ-CB 3.53Å; V449-M453 HydrophobicContact CG1-CG 4.11Å; V449-M453 WeakPolarHBondContact O-CB 3.37Å; V449-M453 VanDerWaalsContact O-CG 3.29Å; V449-M453 WeakPolarHBondContact O-CG 3.49Å; V449-M453 PolarHBondContact O-N 2.9Å; R451-M453 PolarHBondContact O-N 3.28Å; M453-A455 PolarHBondContact O-N 2.76Å; M453-R456 CarbonylContact O-C 3.51Å; M453-R456 PolarHBondContact O-N 2.7Å; M453-T457 PolarHBondContact O-N 3.45Å; M453-T457 PolarHBondContact O-OG1 2.84Å; M453-T457 VanDerWaalsContact O-OG1 3.11Å; M453-L486 HydrophobicContact CE-CD2 3.82Å; M453-F489 HydrophobicContact CG-CB 4.47Å; M453-F489 HydrophobicContact CG-CD1 4.39Å; M453-F489 HydrophobicContact CG-CG 4.38Å; M453-F489 HydrophobicContact SD-CB 3.42Å; M453-F489 WeakPolarHBondContact SD-CB 3.37Å; M453-F489 HydrophobicContact SD-CD1 4.32Å; M453-F489 HydrophobicContact SD-CG 3.93Å; M453-I493 HydrophobicContact SD-CD1 3.91Å
454	A	90.8	Very high	90.8	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-58.7	-31.3	176.5	0	0	0	0	0	114	I426 R429 A430 F433 A450 R451 Y700	I426-A454 HydrophobicContact CG1-CB 4.35Å; R429-A454 HydrophobicContact CB-CB 3.89Å; R429-A454 PolarHBondContact NE-O 2.96Å; R429-A454 VanDerWaalsContact NE-O 3.11Å; R429-A454 PolarHBondContact NH2-O 3.49Å; A430-A454 HydrophobicContact CB-CB 3.85Å; F433-A454 HydrophobicContact CD2-CB 4.29Å; A450-A454 VanDerWaalsContact O-CB 3.3Å; A450-A454 WeakPolarHBondContact O-CB 3.42Å; A450-A454 PolarHBondContact O-N 3.36Å; R451-A454 PolarHBondContact O-N 3.05Å; A454-Y700 HydrophobicContact CB-CD2 4.45Å
455	A	87.1	Confident	91.1	Very high	13 Å²	13	38.2 Å²	38.2	11%	0.107	21%	0.209	C	C	.	.	H	α-helix	trans	-76.5	-31.3	172.2	0	0	0	0	0	113.3	R451 M453 Q553	R451-A455 PolarHBondContact O-N 3.44Å; M453-A455 PolarHBondContact O-N 2.76Å; A455-Q553 PolarHBondContact O-OE1 2.94Å
456	R	87.4	Confident	91.3	Very high	78 Å²	78	35 Å²	35	29%	0.294	20%	0.195	S	C	.	.	H	α-helix	trans	-84.5	-14.2	178	-72.5	-176.4	171.7	-172	-8	114.7	K452 M453 P458 D490 I493 Q551	K452-R456 PolarHBondContact O-N 3.29Å; M453-R456 CarbonylContact O-C 3.51Å; M453-R456 PolarHBondContact O-N 2.7Å; R456-P458 VanDerWaalsContact O-CD 3.24Å; R456-P458 WeakPolarHBondContact O-CD 3.29Å; R456-D490 IonicContact CZ-OD1 2.75Å; R456-D490 IonicContact CZ-OD2 3.52Å; R456-D490 IonicContact NH1-OD1 3.36Å; R456-D490 PolarHBondContact NH1-OD1 3.35Å; R456-D490 IonicContact NH1-OD2 3.17Å; R456-D490 PolarHBondContact NH1-OD2 2.98Å; R456-I493 HydrophobicContact CB-CD1 4.17Å; R456-Q551 PolarHBondContact O-NE2 2.79Å
457	T	89.6	Confident	91.5	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.197	C	C	.	.	S	Bend	trans	-117.4	63.6	-178.8	66.7	0	0	0	0	113.6	R429 F433 M453 F460 I493	R429-T457 WeakPolarHBondContact CD-O 3.38Å; R429-T457 PolarHBondContact NE-O 2.59Å; F433-T457 WeakPolarHBondContact CE2-OG1 3.45Å; F433-T457 HydrophobicContact CZ-CG2 4.09Å; M453-T457 PolarHBondContact O-N 3.45Å; M453-T457 PolarHBondContact O-OG1 2.84Å; M453-T457 VanDerWaalsContact O-OG1 3.11Å; T457-F460 HydrophobicContact CG2-CD2 4.02Å; T457-F460 HydrophobicContact CG2-CE2 3.85Å; T457-F460 HydrophobicContact CG2-CZ 4.17Å; T457-I493 HydrophobicContact CG2-CD1 3.56Å; T457-I493 HydrophobicContact CG2-CG1 3.7Å; T457-I493 HydrophobicContact CG2-CG2 4.38Å
458	P	85.8	Confident	91.8	Very high	17 Å²	17	29.5 Å²	29.5	11%	0.11	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	142.1	179.1	30.9	-37.6	0	0	0	112.9	R456 F460 Q553 P554	R456-P458 VanDerWaalsContact O-CD 3.24Å; R456-P458 WeakPolarHBondContact O-CD 3.29Å; P458-F460 WeakPolarHBondContact O-CD1 3.41Å; P458-F460 PolarHBondContact O-N 3.18Å; P458-Q553 VanDerWaalsContact CB-OE1 3.29Å; P458-Q553 VanDerWaalsContact CG-OE1 3.26Å; P458-P554 HydrophobicContact CB-CG 3.8Å; P458-P554 HydrophobicContact CG-CG 4.29Å
459	G	86	Confident	92	Very high	45 Å²	45	25.9 Å²	25.9	46%	0.464	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.1	1.2	177.7	0	0	0	0	0	115.7
460	F	92.4	Very high	92.2	Very high	21 Å²	21	30.3 Å²	30.3	9%	0.092	18%	0.179	C	C	.	.			trans	-68.5	139.5	178.7	-82.8	40.5	0	0	0	111.1	P424 T457 P458 D464 I465 V468 I493 V496 I497	P424-F460 WeakPolarHBondContact CD-O 3.5Å; P424-F460 WeakPolarHBondContact CG-O 3.44Å; T457-F460 HydrophobicContact CG2-CD2 4.02Å; T457-F460 HydrophobicContact CG2-CE2 3.85Å; T457-F460 HydrophobicContact CG2-CZ 4.17Å; P458-F460 WeakPolarHBondContact O-CD1 3.41Å; P458-F460 PolarHBondContact O-N 3.18Å; F460-D464 HydrophobicContact CB-CB 4.03Å; F460-D464 HydrophobicContact CD2-CB 3.64Å; F460-D464 HydrophobicContact CE2-CB 4.41Å; F460-D464 HydrophobicContact CG-CB 4.02Å; F460-I465 HydrophobicContact CB-CG1 4.15Å; F460-V468 HydrophobicContact CD2-CG2 4.23Å; F460-V468 HydrophobicContact CE2-CG2 3.71Å; F460-I493 HydrophobicContact CZ-CG2 4.3Å; F460-V496 HydrophobicContact CE2-CG1 3.98Å; F460-V496 HydrophobicContact CZ-CG1 4.43Å; F460-I497 HydrophobicContact CE1-CD1 4.15Å; F460-I497 HydrophobicContact CE1-CG1 4.01Å; F460-I497 HydrophobicContact CZ-CD1 3.91Å; F460-I497 HydrophobicContact CZ-CG1 3.6Å
461	S	93.3	Very high	92.3	Very high	5 Å²	5	31.6 Å²	31.6	4%	0.035	19%	0.186	C	C	.	.			trans	-76.2	168	169.5	75.9	0	0	0	0	111.6	A463 D464 I465	S461-A463 PolarHBondContact O-N 3.05Å; S461-A463 PolarHBondContact OG-N 3.41Å; S461-D464 WeakPolarHBondContact CA-OD2 3.49Å; S461-D464 VanDerWaalsContact CB-OD2 3.23Å; S461-D464 WeakPolarHBondContact CB-OD2 3.27Å; S461-D464 PolarHBondContact N-OD2 3.33Å; S461-D464 PolarHBondContact O-N 3.41Å; S461-D464 VanDerWaalsContact O-N 3.14Å; S461-D464 PolarHBondContact OG-N 3.01Å; S461-D464 PolarHBondContact OG-OD2 3.16Å; S461-I465 PolarHBondContact O-N 3.01Å; S461-I465 VanDerWaalsContact O-N 3.09Å
462	G	93.2	Very high	92.5	Very high	15 Å²	15	29.4 Å²	29.4	16%	0.155	18%	0.177	C	C	.	.	H	α-helix	trans	-59.7	-35	174.2	0	0	0	0	0	112.9	G298 I465 A466	G298-G462 PolarHBondContact O-N 2.68Å; G462-I465 PolarHBondContact O-N 3.15Å; G462-A466 PolarHBondContact O-N 2.86Å
463	A	94.4	Very high	92.8	Very high	52 Å²	52	26 Å²	26	43%	0.43	17%	0.169	S	C	.	.	H	α-helix	trans	-66.3	-38	174.3	0	0	0	0	0	112.9	G298 S461 A466 S467	G298-A463 PolarHBondContact O-N 2.69Å; S461-A463 PolarHBondContact O-N 3.05Å; S461-A463 PolarHBondContact OG-N 3.41Å; A463-A466 PolarHBondContact O-N 3.44Å; A463-S467 PolarHBondContact O-N 3.14Å
464	D	95	Very high	92.9	Very high	63 Å²	63	29.8 Å²	29.8	34%	0.337	19%	0.188	S	C	.	.	H	α-helix	trans	-67.3	-40.2	177.2	-55.2	-51.1	0	0	0	110.9	F460 S461 S467 V468 V496	F460-D464 HydrophobicContact CB-CB 4.03Å; F460-D464 HydrophobicContact CD2-CB 3.64Å; F460-D464 HydrophobicContact CE2-CB 4.41Å; F460-D464 HydrophobicContact CG-CB 4.02Å; S461-D464 WeakPolarHBondContact CA-OD2 3.49Å; S461-D464 VanDerWaalsContact CB-OD2 3.23Å; S461-D464 WeakPolarHBondContact CB-OD2 3.27Å; S461-D464 PolarHBondContact N-OD2 3.33Å; S461-D464 PolarHBondContact O-N 3.41Å; S461-D464 VanDerWaalsContact O-N 3.14Å; S461-D464 PolarHBondContact OG-N 3.01Å; S461-D464 PolarHBondContact OG-OD2 3.16Å; D464-S467 WeakPolarHBondContact O-CB 3.2Å; D464-S467 PolarHBondContact O-N 2.97Å; D464-V468 WeakPolarHBondContact O-CG2 3.36Å; D464-V468 PolarHBondContact O-N 3.06Å; D464-V496 HydrophobicContact CB-CG1 4.49Å
465	I	95.8	Very high	93.1	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-62.8	-45.1	174.8	-67.5	168.9	0	0	0	111.1	R429 I432 F433 F460 S461 G462 S467 V468 C469	R429-I465 HydrophobicContact CB-CD1 3.84Å; R429-I465 HydrophobicContact CG-CD1 3.71Å; I432-I465 HydrophobicContact CB-CD1 4.28Å; I432-I465 HydrophobicContact CB-CG2 4.49Å; I432-I465 HydrophobicContact CD1-CD1 4.5Å; I432-I465 HydrophobicContact CG2-CB 4.01Å; I432-I465 HydrophobicContact CG2-CD1 4.09Å; I432-I465 HydrophobicContact CG2-CG2 3.7Å; F433-I465 HydrophobicContact CD1-CG2 3.66Å; F433-I465 HydrophobicContact CD2-CD1 4.45Å; F433-I465 HydrophobicContact CD2-CG2 3.99Å; F433-I465 HydrophobicContact CE1-CG2 3.64Å; F433-I465 HydrophobicContact CE2-CD1 4.13Å; F433-I465 HydrophobicContact CE2-CG1 3.99Å; F433-I465 HydrophobicContact CE2-CG2 3.95Å; F433-I465 HydrophobicContact CG-CG2 3.82Å; F433-I465 HydrophobicContact CZ-CB 4.37Å; F433-I465 HydrophobicContact CZ-CG1 4.04Å; F433-I465 HydrophobicContact CZ-CG2 3.76Å; F460-I465 HydrophobicContact CB-CG1 4.15Å; S461-I465 PolarHBondContact O-N 3.01Å; S461-I465 VanDerWaalsContact O-N 3.09Å; G462-I465 PolarHBondContact O-N 3.15Å; I465-S467 PolarHBondContact O-N 3.09Å; I465-V468 PolarHBondContact O-N 2.87Å; I465-C469 PolarHBondContact O-N 3.18Å; I465-C469 PolarHBondContact O-SG 3.46Å
466	A	95.3	Very high	93.5	Very high	29 Å²	29	30 Å²	30	24%	0.24	19%	0.188	C	C	.	.	H	α-helix	trans	-58.3	-39.3	173.8	0	0	0	0	0	111.8	G462 A463 N470	G462-A466 PolarHBondContact O-N 2.86Å; A463-A466 PolarHBondContact O-N 3.44Å; A466-N470 WeakPolarHBondContact O-CB 3.28Å; A466-N470 PolarHBondContact O-N 3.06Å; A466-N470 VanDerWaalsContact O-N 3.07Å
467	S	95.7	Very high	93.9	Very high	51 Å²	51	29.4 Å²	29.4	36%	0.357	20%	0.2	S	C	.	.	H	α-helix	trans	-66	-43	175.3	-168.1	0	0	0	0	112.6	A463 D464 I465 N470 E471	A463-S467 PolarHBondContact O-N 3.14Å; D464-S467 WeakPolarHBondContact O-CB 3.2Å; D464-S467 PolarHBondContact O-N 2.97Å; I465-S467 PolarHBondContact O-N 3.09Å; S467-N470 PolarHBondContact O-N 3.32Å; S467-E471 WeakPolarHBondContact O-CB 3.42Å; S467-E471 PolarHBondContact O-N 3.33Å
468	V	96.1	Very high	94.1	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-59.4	-48.3	175.2	168.7	0	0	0	0	110.9	F433 F460 D464 I465 N470 E471 A472 F489 A492 I493 V496	F433-V468 HydrophobicContact CE1-CG1 4.3Å; F460-V468 HydrophobicContact CD2-CG2 4.23Å; F460-V468 HydrophobicContact CE2-CG2 3.71Å; D464-V468 WeakPolarHBondContact O-CG2 3.36Å; D464-V468 PolarHBondContact O-N 3.06Å; I465-V468 PolarHBondContact O-N 2.87Å; V468-N470 PolarHBondContact O-N 2.62Å; V468-E471 PolarHBondContact O-N 3.02Å; V468-A472 VanDerWaalsContact O-CB 3.3Å; V468-A472 WeakPolarHBondContact O-CB 3.32Å; V468-A472 PolarHBondContact O-N 2.98Å; V468-F489 HydrophobicContact CG1-CD1 4.19Å; V468-A492 HydrophobicContact CG1-CB 4.26Å; V468-A492 WeakPolarHBondContact O-CB 3.43Å; V468-I493 HydrophobicContact CG1-CG1 3.83Å; V468-I493 HydrophobicContact CG2-CG1 4.16Å; V468-V496 HydrophobicContact CG2-CB 4.16Å; V468-V496 HydrophobicContact CG2-CG1 4.38Å; V468-V496 HydrophobicContact CG2-CG2 3.85Å
469	C	96.5	Very high	94.5	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.014	24%	0.24	C	C	.	.	H	α-helix	trans	-60.3	-44.7	178.6	-71.5	0	0	0	0	112.2	H436 I440 I465 A473	H436-C469 HydrophobicContact CB-CB 4.03Å; I440-C469 HydrophobicContact CD1-CB 3.79Å; I440-C469 WeakPolarHBondContact CD1-O 3.27Å; I465-C469 PolarHBondContact O-N 3.18Å; I465-C469 PolarHBondContact O-SG 3.46Å; C469-A473 PolarHBondContact O-N 2.95Å
470	N	96.1	Very high	94.8	Very high	96 Å²	96	44.3 Å²	44.3	51%	0.513	26%	0.255	S	S	.	.	H	α-helix	trans	-67.2	-44.7	178.6	-174.1	48.3	0	0	0	112.5	A466 S467 V468 A472 A473 L474	A466-N470 WeakPolarHBondContact O-CB 3.28Å; A466-N470 PolarHBondContact O-N 3.06Å; A466-N470 VanDerWaalsContact O-N 3.07Å; S467-N470 PolarHBondContact O-N 3.32Å; V468-N470 PolarHBondContact O-N 2.62Å; N470-A472 PolarHBondContact O-N 3.42Å; N470-A473 PolarHBondContact O-N 3.2Å; N470-L474 WeakPolarHBondContact O-CG 3.34Å; N470-L474 PolarHBondContact O-N 3.26Å
471	E	95	Very high	94.9	Very high	28 Å²	28	45 Å²	45	13%	0.131	26%	0.264	C	S	.	.	H	α-helix	trans	-67.8	-33.6	177.5	-77.5	-78.1	-164.3	0	0	112.4	S467 V468 A473 L474 I475 R478 A492 R495	S467-E471 WeakPolarHBondContact O-CB 3.42Å; S467-E471 PolarHBondContact O-N 3.33Å; V468-E471 PolarHBondContact O-N 3.02Å; E471-A473 VanDerWaalsContact C-N 3.34Å; E471-A473 PolarHBondContact O-N 3.49Å; E471-L474 CarbonylContact O-C 3.43Å; E471-L474 PolarHBondContact O-N 3.11Å; E471-I475 WeakPolarHBondContact O-CB 3.38Å; E471-I475 WeakPolarHBondContact O-CD1 3.35Å; E471-I475 WeakPolarHBondContact O-CG1 3.34Å; E471-I475 PolarHBondContact O-N 2.96Å; E471-R478 IonicContact OE2-CZ 3.88Å; E471-R478 IonicContact OE2-NH2 2.65Å; E471-R478 PolarHBondContact OE2-NH2 3.38Å; E471-A492 HydrophobicContact CB-CB 4.01Å; E471-R495 IonicContact OE1-CZ 3.68Å; E471-R495 IonicContact OE1-NE 2.78Å; E471-R495 PolarHBondContact OE1-NE 3.16Å; E471-R495 IonicContact OE1-NH2 3.71Å; E471-R495 PolarHBondContact OE1-NH2 3.04Å; E471-R495 IonicContact OE2-CZ 2.75Å; E471-R495 IonicContact OE2-NE 3.74Å; E471-R495 PolarHBondContact OE2-NE 3.46Å; E471-R495 IonicContact OE2-NH2 3.6Å; E471-R495 PolarHBondContact OE2-NH2 3.5Å
472	A	96	Very high	94.8	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-61.7	-41.7	173.2	0	0	0	0	0	111.7	V468 N470 I475 A476 V484 F489 A492	V468-A472 VanDerWaalsContact O-CB 3.3Å; V468-A472 WeakPolarHBondContact O-CB 3.32Å; V468-A472 PolarHBondContact O-N 2.98Å; N470-A472 PolarHBondContact O-N 3.42Å; A472-I475 PolarHBondContact O-N 2.89Å; A472-A476 WeakPolarHBondContact O-CB 3.42Å; A472-A476 PolarHBondContact O-N 3.39Å; A472-V484 HydrophobicContact CB-CG1 3.96Å; A472-F489 HydrophobicContact CB-CD1 3.53Å; A472-F489 HydrophobicContact CB-CD2 4.44Å; A472-F489 HydrophobicContact CB-CE1 3.69Å; A472-F489 HydrophobicContact CB-CG 3.93Å; A472-F489 HydrophobicContact CB-CZ 4.21Å; A472-A492 HydrophobicContact CB-CB 3.92Å
473	A	95.7	Very high	94.9	Very high	32 Å²	32	53.5 Å²	53.5	26%	0.264	30%	0.303	S	S	.	.	H	α-helix	trans	-65.9	-42.2	172.9	0	0	0	0	0	112.3	C469 N470 E471 I475 A476 A477 V484	C469-A473 PolarHBondContact O-N 2.95Å; N470-A473 PolarHBondContact O-N 3.2Å; E471-A473 VanDerWaalsContact C-N 3.34Å; E471-A473 PolarHBondContact O-N 3.49Å; A473-I475 VanDerWaalsContact C-N 3.31Å; A473-I475 PolarHBondContact O-N 2.89Å; A473-A476 PolarHBondContact O-N 2.84Å; A473-A477 WeakPolarHBondContact O-CB 3.48Å; A473-A477 PolarHBondContact O-N 3.23Å; A473-V484 HydrophobicContact CB-CG2 4.41Å
474	L	94.9	Very high	95	Very high	78 Å²	78	51.4 Å²	51.4	41%	0.408	29%	0.285	S	S	.	.	H	α-helix	trans	-68.4	-26.8	176.3	-68.6	170.9	0	0	0	113.3	N470 E471 R478	N470-L474 WeakPolarHBondContact O-CG 3.34Å; N470-L474 PolarHBondContact O-N 3.26Å; E471-L474 CarbonylContact O-C 3.43Å; E471-L474 PolarHBondContact O-N 3.11Å; L474-R478 WeakPolarHBondContact O-CB 3.23Å; L474-R478 WeakPolarHBondContact O-CG 3.41Å; L474-R478 PolarHBondContact O-N 2.9Å; L474-R478 PolarHBondContact O-NE 2.97Å
475	I	94	Very high	94.9	Very high	13 Å²	13	51.2 Å²	51.2	7%	0.067	28%	0.283	C	S	.	.	H	α-helix	trans	-75.5	-46.4	173.5	-72.6	162.2	0	0	0	109.5	E471 A472 A473 A477 R478 E479 H488 K491 A492	E471-I475 WeakPolarHBondContact O-CB 3.38Å; E471-I475 WeakPolarHBondContact O-CD1 3.35Å; E471-I475 WeakPolarHBondContact O-CG1 3.34Å; E471-I475 PolarHBondContact O-N 2.96Å; A472-I475 PolarHBondContact O-N 2.89Å; A473-I475 VanDerWaalsContact C-N 3.31Å; A473-I475 PolarHBondContact O-N 2.89Å; I475-A477 VanDerWaalsContact C-N 3.28Å; I475-A477 PolarHBondContact O-N 2.74Å; I475-R478 WeakPolarHBondContact O-CA 3.42Å; I475-R478 WeakPolarHBondContact O-CB 3.5Å; I475-R478 PolarHBondContact O-N 3.46Å; I475-E479 PolarHBondContact O-N 3.3Å; I475-H488 HydrophobicContact CG2-CB 4.23Å; I475-K491 HydrophobicContact CD1-CB 3.89Å; I475-K491 HydrophobicContact CG2-CB 4.37Å; I475-K491 HydrophobicContact CG2-CD 3.9Å; I475-A492 HydrophobicContact CD1-CB 4.06Å
476	A	95.7	Very high	94.7	Very high	4 Å²	4	52.9 Å²	52.9	3%	0.033	29%	0.292	C	S	.	.	H	α-helix	trans	-54.8	-45.1	173.5	0	0	0	0	0	111.8	A472 A473 R478 E479 D480 A481 V484 H488	A472-A476 WeakPolarHBondContact O-CB 3.42Å; A472-A476 PolarHBondContact O-N 3.39Å; A473-A476 PolarHBondContact O-N 2.84Å; A476-R478 VanDerWaalsContact C-N 3.31Å; A476-R478 PolarHBondContact O-N 3.35Å; A476-E479 CarbonylContact O-C 3.57Å; A476-E479 PolarHBondContact O-N 3.09Å; A476-D480 PolarHBondContact O-N 2.96Å; A476-A481 HydrophobicContact CB-CB 4.31Å; A476-A481 PolarHBondContact O-N 3.24Å; A476-V484 HydrophobicContact CB-CB 4.5Å; A476-V484 HydrophobicContact CB-CG2 3.9Å; A476-H488 VanDerWaalsContact CB-ND1 3.32Å; A476-H488 WeakPolarHBondContact CB-ND1 3.44Å
477	A	95.6	Very high	94.6	Very high	67 Å²	67	56.6 Å²	56.6	55%	0.554	31%	0.307	S	S	*	.	H	α-helix	trans	-68.5	-23.6	176.5	0	0	0	0	0	114.2	A473 I475	A473-A477 WeakPolarHBondContact O-CB 3.48Å; A473-A477 PolarHBondContact O-N 3.23Å; I475-A477 VanDerWaalsContact C-N 3.28Å; I475-A477 PolarHBondContact O-N 2.74Å
478	R	93.7	Very high	94.5	Very high	135 Å²	135	54.6 Å²	54.6	51%	0.509	29%	0.292	S	S	.	.	H	α-helix	trans	-81.1	-17.5	172.7	-87.1	174.8	-83.1	178.8	-9.1	113.1	E471 L474 I475 A476	E471-R478 IonicContact OE2-CZ 3.88Å; E471-R478 IonicContact OE2-NH2 2.65Å; E471-R478 PolarHBondContact OE2-NH2 3.38Å; L474-R478 WeakPolarHBondContact O-CB 3.23Å; L474-R478 WeakPolarHBondContact O-CG 3.41Å; L474-R478 PolarHBondContact O-N 2.9Å; L474-R478 PolarHBondContact O-NE 2.97Å; I475-R478 WeakPolarHBondContact O-CA 3.42Å; I475-R478 WeakPolarHBondContact O-CB 3.5Å; I475-R478 PolarHBondContact O-N 3.46Å; A476-R478 VanDerWaalsContact C-N 3.31Å; A476-R478 PolarHBondContact O-N 3.35Å
479	E	93.5	Very high	94.5	Very high	94 Å²	94	54.7 Å²	54.7	44%	0.439	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.5	12.9	178.6	-65.5	177.4	-173.8	0	0	111.3	I475 A476 A481 H488 K491	I475-E479 PolarHBondContact O-N 3.3Å; A476-E479 CarbonylContact O-C 3.57Å; A476-E479 PolarHBondContact O-N 3.09Å; E479-A481 PolarHBondContact O-N 2.77Å; E479-A481 VanDerWaalsContact O-N 3.08Å; E479-H488 IonicContact OE2-CD2 2.65Å; E479-H488 IonicContact OE2-NE2 2.68Å; E479-K491 IonicContact OE1-NZ 3.82Å; E479-K491 PolarHBondContact OE1-NZ 3.49Å; E479-K491 IonicContact OE2-NZ 3.55Å; E479-K491 PolarHBondContact OE2-NZ 2.92Å
480	D	93.4	Very high	94.2	Very high	145 Å²	145	55.9 Å²	55.9	78%	0.775	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.1	28.7	-175.8	-72.6	-47.6	0	0	0	114.4	A476	A476-D480 PolarHBondContact O-N 2.96Å
481	A	93.5	Very high	93.9	Very high	35 Å²	35	54.8 Å²	54.8	29%	0.289	29%	0.289	S	S	.	.			trans	-77.4	133.4	-176.3	0	0	0	0	0	112.4	A476 E479 S483	A476-A481 HydrophobicContact CB-CB 4.31Å; A476-A481 PolarHBondContact O-N 3.24Å; E479-A481 PolarHBondContact O-N 2.77Å; E479-A481 VanDerWaalsContact O-N 3.08Å; A481-S483 PolarHBondContact O-N 3.34Å
482	H	92.9	Very high	93.9	Very high	168 Å²	168	53.4 Å²	53.4	78%	0.778	28%	0.283	S	S	*	.	S	Bend	trans	-69.4	-11.6	-179	-61.7	-38.3	0	0	0	115.5	K441	K441-H482 WeakPolarHBondContact CD-O 3.18Å; K441-H482 WeakPolarHBondContact CE-O 3.25Å; K441-H482 PolarHBondContact NZ-O 3.26Å
483	S	94.7	Very high	93.7	Very high	31 Å²	31	53.6 Å²	53.6	22%	0.217	28%	0.284	C	S	.	.	S	Bend	trans	-158.8	156.2	-177	48.8	0	0	0	0	110.3	K441 A481	K441-S483 WeakPolarHBondContact O-CA 3.37Å; A481-S483 PolarHBondContact O-N 3.34Å
484	V	95.6	Very high	93.4	Very high	9 Å²	9	52.4 Å²	52.4	6%	0.055	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-85.4	121.1	176.6	-169	0	0	0	0	110	I440 K441 L442 A443 A472 A473 A476 H488 F489	I440-V484 HydrophobicContact CG2-CB 4.08Å; I440-V484 HydrophobicContact CG2-CG2 3.49Å; I440-V484 VanDerWaalsContact CG2-CG2 3.49Å; K441-V484 PolarHBondContact O-N 3.34Å; L442-V484 HydrophobicContact CD2-CB 4.18Å; A443-V484 PolarHBondContact N-O 2.93Å; A472-V484 HydrophobicContact CB-CG1 3.96Å; A473-V484 HydrophobicContact CB-CG2 4.41Å; A476-V484 HydrophobicContact CB-CB 4.5Å; A476-V484 HydrophobicContact CB-CG2 3.9Å; V484-H488 HydrophobicContact CG1-CB 3.92Å; V484-F489 HydrophobicContact CB-CE2 4.29Å; V484-F489 HydrophobicContact CG1-CD2 4Å; V484-F489 HydrophobicContact CG1-CE2 3.47Å; V484-F489 VanDerWaalsContact CG1-CE2 3.47Å; V484-F489 HydrophobicContact CG1-CZ 3.86Å
485	N	94	Very high	93.1	Very high	58 Å²	58	52 Å²	52	31%	0.31	27%	0.266	S	S	.	.			trans	-101.5	162	178.6	-60.5	-19.3	0	0	0	110.6	A443 I487 H488 F489	A443-N485 WeakPolarHBondContact CB-OD1 3.37Å; N485-I487 PolarHBondContact O-N 3.06Å; N485-I487 VanDerWaalsContact O-N 3.13Å; N485-H488 PolarHBondContact N-ND1 2.81Å; N485-H488 WeakPolarHBondContact O-CB 3.19Å; N485-H488 PolarHBondContact O-N 3.31Å; N485-F489 WeakPolarHBondContact O-CD2 3.06Å
486	L	92	Very high	92.9	Very high	36 Å²	36	53.4 Å²	53.4	19%	0.188	28%	0.275	C	S	.	.	H	α-helix	trans	-51.4	-36.7	175.5	-68.9	172	0	0	0	113.7	V449 K452 M453 H488 F489 D490	V449-L486 HydrophobicContact CG1-CD2 4.39Å; V449-L486 HydrophobicContact CG2-CD2 4.17Å; K452-L486 HydrophobicContact CD-CD1 4.25Å; K452-L486 HydrophobicContact CD-CD2 4.48Å; M453-L486 HydrophobicContact CE-CD2 3.82Å; L486-H488 PolarHBondContact O-N 3.5Å; L486-F489 WeakPolarHBondContact O-CB 3.44Å; L486-F489 PolarHBondContact O-N 3.08Å; L486-F489 VanDerWaalsContact O-N 3.1Å; L486-D490 PolarHBondContact O-N 3.49Å
487	I	91.8	Very high	92.4	Very high	107 Å²	107	56.8 Å²	56.8	55%	0.549	29%	0.292	S	S	.	.	H	α-helix	trans	-59.6	-34.5	177.4	-57.1	172.7	0	0	0	111.8	N485 K491	N485-I487 PolarHBondContact O-N 3.06Å; N485-I487 VanDerWaalsContact O-N 3.13Å; I487-K491 HydrophobicContact CG2-CD 4.49Å; I487-K491 WeakPolarHBondContact O-CG 3.17Å; I487-K491 PolarHBondContact O-N 3.34Å
488	H	94.8	Very high	91.8	Very high	9 Å²	9	54.6 Å²	54.6	4%	0.042	27%	0.274	C	S	.	.	H	α-helix	trans	-73.3	-33.8	178.8	-49.6	157	0	0	0	111.2	I475 A476 E479 V484 N485 L486 A492	I475-H488 HydrophobicContact CG2-CB 4.23Å; A476-H488 VanDerWaalsContact CB-ND1 3.32Å; A476-H488 WeakPolarHBondContact CB-ND1 3.44Å; E479-H488 IonicContact OE2-CD2 2.65Å; E479-H488 IonicContact OE2-NE2 2.68Å; V484-H488 HydrophobicContact CG1-CB 3.92Å; N485-H488 PolarHBondContact N-ND1 2.81Å; N485-H488 WeakPolarHBondContact O-CB 3.19Å; N485-H488 PolarHBondContact O-N 3.31Å; L486-H488 PolarHBondContact O-N 3.5Å; H488-A492 WeakPolarHBondContact O-CB 3.1Å; H488-A492 PolarHBondContact O-N 3.11Å
489	F	94.4	Very high	91.4	Very high	1 Å²	1	49.4 Å²	49.4	0%	0.004	26%	0.262	C	S	.	.	H	α-helix	trans	-67.8	-42.4	172.7	-71.4	-80.5	0	0	0	112	L437 L442 V449 M453 V468 A472 V484 N485 L486 K491 A492 I493	L437-F489 HydrophobicContact CD2-CE1 3.79Å; L437-F489 HydrophobicContact CD2-CZ 3.49Å; L437-F489 VanDerWaalsContact CD2-CZ 3.49Å; L442-F489 HydrophobicContact CD2-CE2 3.82Å; L442-F489 HydrophobicContact CD2-CZ 3.82Å; V449-F489 HydrophobicContact CG1-CD2 4.36Å; V449-F489 HydrophobicContact CG1-CE2 3.95Å; V449-F489 HydrophobicContact CG1-CZ 4.24Å; M453-F489 HydrophobicContact CG-CB 4.47Å; M453-F489 HydrophobicContact CG-CD1 4.39Å; M453-F489 HydrophobicContact CG-CG 4.38Å; M453-F489 HydrophobicContact SD-CB 3.42Å; M453-F489 WeakPolarHBondContact SD-CB 3.37Å; M453-F489 HydrophobicContact SD-CD1 4.32Å; M453-F489 HydrophobicContact SD-CG 3.93Å; V468-F489 HydrophobicContact CG1-CD1 4.19Å; A472-F489 HydrophobicContact CB-CD1 3.53Å; A472-F489 HydrophobicContact CB-CD2 4.44Å; A472-F489 HydrophobicContact CB-CE1 3.69Å; A472-F489 HydrophobicContact CB-CG 3.93Å; A472-F489 HydrophobicContact CB-CZ 4.21Å; V484-F489 HydrophobicContact CB-CE2 4.29Å; V484-F489 HydrophobicContact CG1-CD2 4Å; V484-F489 HydrophobicContact CG1-CE2 3.47Å; V484-F489 VanDerWaalsContact CG1-CE2 3.47Å; V484-F489 HydrophobicContact CG1-CZ 3.86Å; N485-F489 WeakPolarHBondContact O-CD2 3.06Å; L486-F489 WeakPolarHBondContact O-CB 3.44Å; L486-F489 PolarHBondContact O-N 3.08Å; L486-F489 VanDerWaalsContact O-N 3.1Å; F489-K491 PolarHBondContact O-N 3.24Å; F489-A492 CarbonylContact O-C 3.57Å; F489-A492 WeakPolarHBondContact O-CA 3.44Å; F489-A492 WeakPolarHBondContact O-CB 3.48Å; F489-A492 PolarHBondContact O-N 3.2Å; F489-I493 WeakPolarHBondContact O-CG1 3.25Å; F489-I493 PolarHBondContact O-N 3.36Å
490	D	91	Very high	90.8	Very high	27 Å²	27	50.1 Å²	50.1	14%	0.144	27%	0.268	C	S	.	.	H	α-helix	trans	-59.4	-46.2	176.4	-71.7	-18.5	0	0	0	111.3	R456 L486 A492 I493 D494	R456-D490 IonicContact CZ-OD1 2.75Å; R456-D490 IonicContact CZ-OD2 3.52Å; R456-D490 IonicContact NH1-OD1 3.36Å; R456-D490 PolarHBondContact NH1-OD1 3.35Å; R456-D490 IonicContact NH1-OD2 3.17Å; R456-D490 PolarHBondContact NH1-OD2 2.98Å; L486-D490 PolarHBondContact O-N 3.49Å; D490-A492 VanDerWaalsContact C-N 3.27Å; D490-A492 PolarHBondContact O-N 2.97Å; D490-I493 PolarHBondContact O-N 3.44Å; D490-D494 PolarHBondContact O-N 3.11Å
491	K	90.9	Very high	90.3	Very high	73 Å²	73	47.1 Å²	47.1	32%	0.317	25%	0.25	S	C	.	.	H	α-helix	trans	-60.6	-33.6	172.9	-68.7	171.1	-179.8	176.7	0	112.7	I475 E479 I487 F489 R495	I475-K491 HydrophobicContact CD1-CB 3.89Å; I475-K491 HydrophobicContact CG2-CB 4.37Å; I475-K491 HydrophobicContact CG2-CD 3.9Å; E479-K491 IonicContact OE1-NZ 3.82Å; E479-K491 PolarHBondContact OE1-NZ 3.49Å; E479-K491 IonicContact OE2-NZ 3.55Å; E479-K491 PolarHBondContact OE2-NZ 2.92Å; I487-K491 HydrophobicContact CG2-CD 4.49Å; I487-K491 WeakPolarHBondContact O-CG 3.17Å; I487-K491 PolarHBondContact O-N 3.34Å; F489-K491 PolarHBondContact O-N 3.24Å; K491-R495 VanDerWaalsContact O-CB 3.29Å; K491-R495 WeakPolarHBondContact O-CB 3.31Å; K491-R495 PolarHBondContact O-N 3.39Å
492	A	93.7	Very high	89.7	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-73.5	-40.1	177.3	0	0	0	0	0	112.3	V468 E471 A472 I475 H488 F489 D490 R495 V496	V468-A492 HydrophobicContact CG1-CB 4.26Å; V468-A492 WeakPolarHBondContact O-CB 3.43Å; E471-A492 HydrophobicContact CB-CB 4.01Å; A472-A492 HydrophobicContact CB-CB 3.92Å; I475-A492 HydrophobicContact CD1-CB 4.06Å; H488-A492 WeakPolarHBondContact O-CB 3.1Å; H488-A492 PolarHBondContact O-N 3.11Å; F489-A492 CarbonylContact O-C 3.57Å; F489-A492 WeakPolarHBondContact O-CA 3.44Å; F489-A492 WeakPolarHBondContact O-CB 3.48Å; F489-A492 PolarHBondContact O-N 3.2Å; D490-A492 VanDerWaalsContact C-N 3.27Å; D490-A492 PolarHBondContact O-N 2.97Å; A492-R495 WeakPolarHBondContact O-CB 3.34Å; A492-R495 PolarHBondContact O-N 3.32Å; A492-V496 WeakPolarHBondContact O-CG2 3.4Å; A492-V496 PolarHBondContact O-N 3.33Å
493	I	91.6	Very high	88.9	Confident	4 Å²	4	50 Å²	50	2%	0.021	25%	0.254	C	S	.	.	H	α-helix	trans	-62	-50	174.7	-67.2	166.6	0	0	0	109.8	M453 R456 T457 F460 V468 F489 D490 R495 V496 I497	M453-I493 HydrophobicContact SD-CD1 3.91Å; R456-I493 HydrophobicContact CB-CD1 4.17Å; T457-I493 HydrophobicContact CG2-CD1 3.56Å; T457-I493 HydrophobicContact CG2-CG1 3.7Å; T457-I493 HydrophobicContact CG2-CG2 4.38Å; F460-I493 HydrophobicContact CZ-CG2 4.3Å; V468-I493 HydrophobicContact CG1-CG1 3.83Å; V468-I493 HydrophobicContact CG2-CG1 4.16Å; F489-I493 WeakPolarHBondContact O-CG1 3.25Å; F489-I493 PolarHBondContact O-N 3.36Å; D490-I493 PolarHBondContact O-N 3.44Å; I493-R495 PolarHBondContact O-N 3.26Å; I493-V496 PolarHBondContact O-N 3.26Å; I493-V496 VanDerWaalsContact O-N 3.12Å; I493-I497 HydrophobicContact CG2-CD1 3.66Å; I493-I497 HydrophobicContact CG2-CG1 4.35Å; I493-I497 WeakPolarHBondContact O-CG1 3.49Å; I493-I497 PolarHBondContact O-N 3.3Å
494	D	88.9	Confident	87.9	Confident	6 Å²	6	54.3 Å²	54.3	3%	0.032	28%	0.284	C	S	.	.	H	α-helix	trans	-53.6	-40.6	175.1	-72.3	-30.8	0	0	0	112.2	D490 A498 K537 Y549	D490-D494 PolarHBondContact O-N 3.11Å; D494-A498 PolarHBondContact O-N 2.9Å; D494-K537 IonicContact OD1-NZ 3.48Å; D494-K537 PolarHBondContact OD1-NZ 2.81Å; D494-K537 IonicContact OD2-NZ 3.81Å; D494-K537 PolarHBondContact OD2-NZ 3.02Å; D494-Y549 PolarHBondContact OD1-OH 2.92Å
495	R	89.3	Confident	86.6	Confident	70 Å²	70	58.5 Å²	58.5	26%	0.264	30%	0.302	S	S	.	.	H	α-helix	trans	-71.3	-36.5	179.6	178.9	-179	172.8	109.4	-8.4	113.1	E471 K491 A492 I493 G499	E471-R495 IonicContact OE1-CZ 3.68Å; E471-R495 IonicContact OE1-NE 2.78Å; E471-R495 PolarHBondContact OE1-NE 3.16Å; E471-R495 IonicContact OE1-NH2 3.71Å; E471-R495 PolarHBondContact OE1-NH2 3.04Å; E471-R495 IonicContact OE2-CZ 2.75Å; E471-R495 IonicContact OE2-NE 3.74Å; E471-R495 PolarHBondContact OE2-NE 3.46Å; E471-R495 IonicContact OE2-NH2 3.6Å; E471-R495 PolarHBondContact OE2-NH2 3.5Å; K491-R495 VanDerWaalsContact O-CB 3.29Å; K491-R495 WeakPolarHBondContact O-CB 3.31Å; K491-R495 PolarHBondContact O-N 3.39Å; A492-R495 WeakPolarHBondContact O-CB 3.34Å; A492-R495 PolarHBondContact O-N 3.32Å; I493-R495 PolarHBondContact O-N 3.26Å; R495-G499 WeakPolarHBondContact O-CA 3.48Å; R495-G499 PolarHBondContact O-N 3.45Å
496	V	89.6	Confident	85.6	Confident	42 Å²	42	61.9 Å²	61.9	26%	0.255	33%	0.325	S	S	.	.	H	α-helix	trans	-73.1	-39.7	176.9	169.6	0	0	0	0	111	F460 D464 V468 A492 I493	F460-V496 HydrophobicContact CE2-CG1 3.98Å; F460-V496 HydrophobicContact CZ-CG1 4.43Å; D464-V496 HydrophobicContact CB-CG1 4.49Å; V468-V496 HydrophobicContact CG2-CB 4.16Å; V468-V496 HydrophobicContact CG2-CG1 4.38Å; V468-V496 HydrophobicContact CG2-CG2 3.85Å; A492-V496 WeakPolarHBondContact O-CG2 3.4Å; A492-V496 PolarHBondContact O-N 3.33Å; I493-V496 PolarHBondContact O-N 3.26Å; I493-V496 VanDerWaalsContact O-N 3.12Å
497	I	86.6	Confident	85.1	Confident	76 Å²	76	61.2 Å²	61.2	39%	0.39	32%	0.321	S	S	.	.	H	α-helix	trans	-72.4	-56.9	-179.7	-62.9	174	0	0	0	111.9	F460 I493 Q551	F460-I497 HydrophobicContact CE1-CD1 4.15Å; F460-I497 HydrophobicContact CE1-CG1 4.01Å; F460-I497 HydrophobicContact CZ-CD1 3.91Å; F460-I497 HydrophobicContact CZ-CG1 3.6Å; I493-I497 HydrophobicContact CG2-CD1 3.66Å; I493-I497 HydrophobicContact CG2-CG1 4.35Å; I493-I497 WeakPolarHBondContact O-CG1 3.49Å; I493-I497 PolarHBondContact O-N 3.3Å; I497-Q551 HydrophobicContact CD1-CG 4.48Å
498	A	82.3	Confident	84.9	Confident	21 Å²	21	62.1 Å²	62.1	17%	0.174	32%	0.323	C	S	.	.	H	α-helix	trans	-107	-6.9	-168.3	0	0	0	0	0	113.6	D494 R543 G544 Y549	D494-A498 PolarHBondContact O-N 2.9Å; A498-R543 HydrophobicContact CB-CB 3.57Å; A498-R543 HydrophobicContact CB-CG 4.26Å; A498-R543 CarbonylContact O-C 3.51Å; A498-R543 VanDerWaalsContact O-C 3.29Å; A498-R543 WeakPolarHBondContact O-CB 3.48Å; A498-G544 PolarHBondContact O-N 3.42Å; A498-Y549 HydrophobicContact CB-CD1 4.31Å; A498-Y549 HydrophobicContact CB-CE1 4.23Å
499	G	85.2	Confident	84.7	Confident	25 Å²	25	67 Å²	67	26%	0.258	36%	0.356	S	S	.	.			trans	87	-157.9	177.8	0	0	0	0	0	114.4	R495 E501	R495-G499 WeakPolarHBondContact O-CA 3.48Å; R495-G499 PolarHBondContact O-N 3.45Å; G499-E501 PolarHBondContact O-N 2.97Å
500	L	81.7	Confident	84.5	Confident	110 Å²	110	73.8 Å²	73.8	58%	0.576	39%	0.387	S	S	*	.	S	Bend	trans	-66.2	130.6	-177.7	-67.1	174.9	0	0	0	112.2	R543 G544	L500-R543 WeakPolarHBondContact O-CA 3.31Å; L500-G544 PolarHBondContact O-N 2.97Å; L500-G544 VanDerWaalsContact O-N 3.07Å
501	E	82.5	Confident	84.5	Confident	82 Å²	82	76.7 Å²	76.7	38%	0.383	40%	0.4	S	S	.	.	B	Isolated β-bridge	trans	-66	124.9	169.3	-169.2	-179.7	115.2	0	0	111.1	G499 K503 I541 R543	G499-E501 PolarHBondContact O-N 2.97Å; E501-K503 HydrophobicContact CG-CG 4.41Å; E501-K503 PolarHBondContact O-N 2.91Å; E501-K503 WeakPolarHBondContact OE1-CE 3.22Å; E501-K503 IonicContact OE1-NZ 3.8Å; E501-I541 HydrophobicContact CG-CG2 3.76Å; E501-R543 IonicContact OE2-CZ 3.18Å; E501-R543 IonicContact OE2-NH1 2.7Å; E501-R543 IonicContact OE2-NH2 2.76Å; E501-R543 PolarHBondContact OE2-NH2 3Å
502	K	81.1	Confident	84.5	Confident	92 Å²	92	75.4 Å²	75.4	40%	0.4	40%	0.395	S	S	.	.			trans	-93.4	72.2	-175.9	-73.7	176.9	162.1	174	0	112.2	S504 H505 P542 G544	K502-S504 PolarHBondContact O-N 3.09Å; K502-H505 HydrophobicContact CB-CB 3.89Å; K502-H505 HydrophobicContact CD-CB 4.28Å; K502-H505 PolarHBondContact O-N 3.33Å; K502-P542 PolarHBondContact N-O 3.3Å; K502-G544 WeakPolarHBondContact CE-O 3.35Å; K502-G544 PolarHBondContact NZ-O 3.32Å
503	K	75.5	Confident	84.5	Confident	172 Å²	172	79.7 Å²	79.7	75%	0.748	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-23.3	176.4	-64.9	-168	174.2	-171.4	0	114.8	E501	E501-K503 HydrophobicContact CG-CG 4.41Å; E501-K503 PolarHBondContact O-N 2.91Å; E501-K503 WeakPolarHBondContact OE1-CE 3.22Å; E501-K503 IonicContact OE1-NZ 3.8Å
504	S	73.2	Confident	84.6	Confident	121 Å²	121	81.2 Å²	81.2	85%	0.846	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-14.4	176.7	55.4	0	0	0	0	114.7	K502 V506	K502-S504 PolarHBondContact O-N 3.09Å; S504-V506 PolarHBondContact O-N 2.86Å
505	H	68.3	Low	84.8	Confident	97 Å²	97	81.7 Å²	81.7	45%	0.449	43%	0.426	S	S	.	.			trans	-103	67.7	-177.2	-165.7	-70.9	0	0	0	110.2	K502 L507	K502-H505 HydrophobicContact CB-CB 3.89Å; K502-H505 HydrophobicContact CD-CB 4.28Å; K502-H505 PolarHBondContact O-N 3.33Å; H505-L507 PolarHBondContact O-N 2.75Å
506	V	73.4	Confident	85.1	Confident	129 Å²	129	78.3 Å²	78.3	78%	0.782	41%	0.413	S	S	*	.			trans	-66.6	114.9	176	-174.7	0	0	0	0	108.6	S504	S504-V506 PolarHBondContact O-N 2.86Å
507	L	81.4	Confident	85.4	Confident	22 Å²	22	76.9 Å²	76.9	12%	0.115	40%	0.403	C	S	.	.			trans	-65.3	147.1	171.7	-69.8	173.6	0	0	0	110.1	H505 E511 K512 V515 L547	H505-L507 PolarHBondContact O-N 2.75Å; L507-E511 HydrophobicContact CB-CB 4.22Å; L507-E511 HydrophobicContact CD2-CB 4.34Å; L507-K512 HydrophobicContact CB-CB 4.32Å; L507-V515 HydrophobicContact CD1-CG2 4.35Å; L507-L547 HydrophobicContact CD1-CB 4.46Å; L507-L547 HydrophobicContact CD2-CD1 4.46Å; L507-L547 HydrophobicContact CD2-CD2 4.15Å
508	Q	88.8	Confident	85.8	Confident	125 Å²	125	73.9 Å²	73.9	58%	0.584	39%	0.388	S	S	*	.			trans	-63.1	151.5	171.9	-59.2	-170.9	16.7	0	0	110	E510 E511 K512	Q508-E510 PolarHBondContact O-N 3.36Å; Q508-E510 VanDerWaalsContact O-N 3.15Å; Q508-E511 HydrophobicContact CB-CB 4.4Å; Q508-E511 HydrophobicContact CB-CG 4.06Å; Q508-E511 PolarHBondContact N-OE2 3.2Å; Q508-E511 WeakPolarHBondContact O-CB 3.37Å; Q508-E511 PolarHBondContact O-N 3.46Å; Q508-K512 PolarHBondContact O-N 2.92Å
509	P	90	Very high	86.4	Confident	113 Å²	113	73.7 Å²	73.7	73%	0.734	38%	0.383	S	S	*	.	H	α-helix	trans	-55.6	-34.7	180	-27.9	36	0	0	0	113.8	K513	P509-K513 WeakPolarHBondContact O-CB 3.45Å; P509-K513 PolarHBondContact O-N 3.32Å
510	E	90.8	Very high	86.9	Confident	142 Å²	142	72.5 Å²	72.5	66%	0.664	37%	0.371	S	S	*	.	H	α-helix	trans	-67.5	-42.9	173.6	-63.9	-166.7	-173	0	0	112.6	Q508 K513 T514	Q508-E510 PolarHBondContact O-N 3.36Å; Q508-E510 VanDerWaalsContact O-N 3.15Å; E510-K513 WeakPolarHBondContact O-CB 3.48Å; E510-K513 PolarHBondContact O-N 2.76Å; E510-T514 PolarHBondContact O-N 2.78Å; E510-T514 PolarHBondContact O-OG1 3.06Å
511	E	90.1	Very high	87.6	Confident	88 Å²	88	67.3 Å²	67.3	41%	0.411	34%	0.343	S	S	.	.	H	α-helix	trans	-65.2	-46	176.5	-63.9	173.5	149.2	0	0	111	L507 Q508 K513 T514 V515	L507-E511 HydrophobicContact CB-CB 4.22Å; L507-E511 HydrophobicContact CD2-CB 4.34Å; Q508-E511 HydrophobicContact CB-CB 4.4Å; Q508-E511 HydrophobicContact CB-CG 4.06Å; Q508-E511 PolarHBondContact N-OE2 3.2Å; Q508-E511 WeakPolarHBondContact O-CB 3.37Å; Q508-E511 PolarHBondContact O-N 3.46Å; E511-K513 VanDerWaalsContact C-N 3.26Å; E511-K513 PolarHBondContact O-N 2.82Å; E511-T514 PolarHBondContact O-N 3.1Å; E511-T514 VanDerWaalsContact O-N 3.13Å; E511-V515 WeakPolarHBondContact O-CG2 3.42Å; E511-V515 PolarHBondContact O-N 2.95Å
512	K	91.4	Very high	88.2	Confident	47 Å²	47	64 Å²	64	20%	0.204	33%	0.328	C	S	.	.	H	α-helix	trans	-58.3	-39.9	174.7	-167.9	-175.4	172.8	-174.5	0	110.5	L507 Q508 A516 I540 L675 E678	L507-K512 HydrophobicContact CB-CB 4.32Å; Q508-K512 PolarHBondContact O-N 2.92Å; K512-A516 WeakPolarHBondContact O-CB 3.4Å; K512-A516 PolarHBondContact O-N 3.45Å; K512-I540 HydrophobicContact CD-CD1 4.34Å; K512-I540 HydrophobicContact CG-CD1 3.97Å; K512-L675 HydrophobicContact CB-CD2 4.44Å; K512-L675 HydrophobicContact CD-CD2 4.16Å; K512-L675 HydrophobicContact CG-CD2 3.84Å; K512-L675 PolarHBondContact NZ-O 2.72Å; K512-E678 IonicContact NZ-OE1 3.72Å; K512-E678 PolarHBondContact NZ-OE1 3.31Å
513	K	93.9	Very high	88.8	Confident	90 Å²	90	59.7 Å²	59.7	39%	0.391	31%	0.309	S	S	.	.	H	α-helix	trans	-62.6	-50.1	172.3	-170	173.6	-175.6	176.4	0	111.6	P509 E510 E511 V515 A516 Y517 F583 L675	P509-K513 WeakPolarHBondContact O-CB 3.45Å; P509-K513 PolarHBondContact O-N 3.32Å; E510-K513 WeakPolarHBondContact O-CB 3.48Å; E510-K513 PolarHBondContact O-N 2.76Å; E511-K513 VanDerWaalsContact C-N 3.26Å; E511-K513 PolarHBondContact O-N 2.82Å; K513-V515 VanDerWaalsContact C-N 3.33Å; K513-V515 PolarHBondContact O-N 3.45Å; K513-A516 PolarHBondContact O-N 2.93Å; K513-A516 VanDerWaalsContact O-N 3.15Å; K513-Y517 HydrophobicContact CD-CE2 4.24Å; K513-Y517 VanDerWaalsContact CE-CE2 3.43Å; K513-Y517 HydrophobicContact CG-CD2 3.89Å; K513-Y517 HydrophobicContact CG-CE2 3.71Å; K513-Y517 WeakPolarHBondContact O-CD2 3.46Å; K513-Y517 PolarHBondContact O-N 3.21Å; K513-Y517 VanDerWaalsContact O-N 3.1Å; K513-F583 HydrophobicContact CD-CE1 4.46Å; K513-F583 HydrophobicContact CG-CE1 4.38Å; K513-F583 HydrophobicContact CG-CZ 4.24Å; K513-L675 HydrophobicContact CG-CD1 4.29Å
514	T	93.5	Very high	89.8	Confident	36 Å²	36	51.5 Å²	51.5	22%	0.221	27%	0.274	C	S	.	.	H	α-helix	trans	-57.9	-44.9	178	-63	0	0	0	0	112.1	E510 E511 A516 Y517 H518 E579 F583	E510-T514 PolarHBondContact O-N 2.78Å; E510-T514 PolarHBondContact O-OG1 3.06Å; E511-T514 PolarHBondContact O-N 3.1Å; E511-T514 VanDerWaalsContact O-N 3.13Å; T514-A516 PolarHBondContact O-N 2.86Å; T514-Y517 PolarHBondContact O-N 3.25Å; T514-H518 WeakPolarHBondContact O-CB 3.47Å; T514-H518 PolarHBondContact O-N 2.82Å; T514-E579 HydrophobicContact CG2-CG 4.16Å; T514-F583 HydrophobicContact CG2-CE2 4.17Å
515	V	93.4	Very high	90.8	Very high	15 Å²	15	45.7 Å²	45.7	9%	0.091	23%	0.233	C	C	.	.	H	α-helix	trans	-61.1	-41.7	175.4	175.7	0	0	0	0	111.7	L507 E511 K513 Y517 H518 E519 I540 L547	L507-V515 HydrophobicContact CD1-CG2 4.35Å; E511-V515 WeakPolarHBondContact O-CG2 3.42Å; E511-V515 PolarHBondContact O-N 2.95Å; K513-V515 VanDerWaalsContact C-N 3.33Å; K513-V515 PolarHBondContact O-N 3.45Å; V515-Y517 PolarHBondContact O-N 3.31Å; V515-H518 WeakPolarHBondContact O-CB 3.4Å; V515-H518 PolarHBondContact O-N 3.31Å; V515-E519 HydrophobicContact CG1-CG 4.27Å; V515-E519 WeakPolarHBondContact O-CG 3.41Å; V515-E519 PolarHBondContact O-N 3.41Å; V515-I540 HydrophobicContact CG1-CB 4.14Å; V515-I540 HydrophobicContact CG1-CG2 4.09Å; V515-L547 HydrophobicContact CG1-CB 4.33Å; V515-L547 HydrophobicContact CG2-CB 3.88Å; V515-L547 HydrophobicContact CG2-CD1 4.18Å
516	A	95	Very high	92	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-62.8	-41.9	177.9	0	0	0	0	0	113.7	K512 K513 T514 H518 A520 I540 A671 L674 L675	K512-A516 WeakPolarHBondContact O-CB 3.4Å; K512-A516 PolarHBondContact O-N 3.45Å; K513-A516 PolarHBondContact O-N 2.93Å; K513-A516 VanDerWaalsContact O-N 3.15Å; T514-A516 PolarHBondContact O-N 2.86Å; A516-H518 VanDerWaalsContact C-N 3.35Å; A516-A520 WeakPolarHBondContact O-CB 3.48Å; A516-A520 PolarHBondContact O-N 3.09Å; A516-I540 HydrophobicContact CB-CD1 4.26Å; A516-I540 HydrophobicContact CB-CG2 4.2Å; A516-A671 HydrophobicContact CB-CB 4.49Å; A516-L674 HydrophobicContact CB-CB 4.33Å; A516-L675 HydrophobicContact CB-CD1 4.42Å; A516-L675 HydrophobicContact CB-CD2 3.79Å; A516-L675 HydrophobicContact CB-CG 3.76Å
517	Y	95.9	Very high	93	Very high	11 Å²	11	35.1 Å²	35.1	4%	0.043	18%	0.176	C	C	.	.	H	α-helix	trans	-71.8	-29.5	174.6	-77.6	-95.3	0	0	0	112.4	K513 T514 V515 G521 S578 F582 F583 D668 A671	K513-Y517 HydrophobicContact CD-CE2 4.24Å; K513-Y517 VanDerWaalsContact CE-CE2 3.43Å; K513-Y517 HydrophobicContact CG-CD2 3.89Å; K513-Y517 HydrophobicContact CG-CE2 3.71Å; K513-Y517 WeakPolarHBondContact O-CD2 3.46Å; K513-Y517 PolarHBondContact O-N 3.21Å; K513-Y517 VanDerWaalsContact O-N 3.1Å; T514-Y517 PolarHBondContact O-N 3.25Å; V515-Y517 PolarHBondContact O-N 3.31Å; Y517-G521 PolarHBondContact O-N 2.92Å; Y517-S578 VanDerWaalsContact O-CB 3.26Å; Y517-S578 WeakPolarHBondContact O-CB 3.43Å; Y517-S578 PolarHBondContact O-OG 2.78Å; Y517-F582 HydrophobicContact CD1-CB 4Å; Y517-F582 AromaticContact CD1-CD1 3.7Å; Y517-F582 HydrophobicContact CD1-CD1 3.7Å; Y517-F582 AromaticContact CD1-CD2 3.68Å; Y517-F582 HydrophobicContact CD1-CD2 3.68Å; Y517-F582 HydrophobicContact CD1-CE1 4.02Å; Y517-F582 HydrophobicContact CD1-CE2 4.02Å; Y517-F582 AromaticContact CD1-CG 3.5Å; Y517-F582 HydrophobicContact CD1-CG 3.5Å; Y517-F582 VanDerWaalsContact CD1-CG 3.5Å; Y517-F582 HydrophobicContact CD1-CZ 4.15Å; Y517-F582 HydrophobicContact CE1-CB 4.38Å; Y517-F582 AromaticContact CE1-CD1 3.4Å; Y517-F582 HydrophobicContact CE1-CD1 3.4Å; Y517-F582 HydrophobicContact CE1-CD2 4.23Å; Y517-F582 AromaticContact CE1-CE1 3.56Å; Y517-F582 HydrophobicContact CE1-CE1 3.56Å; Y517-F582 HydrophobicContact CE1-CE2 4.37Å; Y517-F582 AromaticContact CE1-CG 3.74Å; Y517-F582 HydrophobicContact CE1-CG 3.74Å; Y517-F582 HydrophobicContact CE1-CZ 4.04Å; Y517-F582 HydrophobicContact CG-CG 4.47Å; Y517-F583 HydrophobicContact CD2-CE2 4.44Å; Y517-F583 AromaticContact CD2-CZ 3.73Å; Y517-F583 HydrophobicContact CD2-CZ 3.73Å; Y517-F583 HydrophobicContact CE2-CZ 4.41Å; Y517-F583 HydrophobicContact CG-CE2 4.27Å; Y517-F583 AromaticContact CG-CZ 3.96Å; Y517-F583 HydrophobicContact CG-CZ 3.96Å; Y517-D668 VanDerWaalsContact CE1-OD1 3.32Å; Y517-D668 WeakPolarHBondContact CE1-OD1 3.35Å; Y517-D668 PolarHBondContact OH-OD1 3.43Å; Y517-A671 HydrophobicContact CD1-CB 3.81Å; Y517-A671 HydrophobicContact CD2-CB 3.78Å; Y517-A671 HydrophobicContact CE1-CB 3.86Å; Y517-A671 HydrophobicContact CE2-CB 3.83Å; Y517-A671 HydrophobicContact CG-CB 3.79Å
518	H	95	Very high	93.6	Very high	14 Å²	14	36.4 Å²	36.4	7%	0.065	18%	0.181	C	C	.	.	H	α-helix	trans	-64.1	-55.9	173.9	-168.4	109.3	0	0	0	111.1	T514 V515 A516 A520 G521 H522 G575 E579 D593	T514-H518 WeakPolarHBondContact O-CB 3.47Å; T514-H518 PolarHBondContact O-N 2.82Å; V515-H518 WeakPolarHBondContact O-CB 3.4Å; V515-H518 PolarHBondContact O-N 3.31Å; A516-H518 VanDerWaalsContact C-N 3.35Å; H518-A520 PolarHBondContact O-N 2.75Å; H518-G521 WeakPolarHBondContact O-CA 3.4Å; H518-G521 PolarHBondContact O-N 3.37Å; H518-H522 AromaticContact CD2-CD2 3.62Å; H518-H522 AromaticContact CD2-NE2 3.39Å; H518-H522 PolarHBondContact CD2-NE2 3.07Å; H518-H522 AromaticContact NE2-CD2 3.99Å; H518-H522 AromaticContact NE2-NE2 3.25Å; H518-H522 PolarHBondContact NE2-NE2 3.26Å; H518-H522 PolarHBondContact O-CD2 2.78Å; H518-H522 VanDerWaalsContact O-CD2 3.31Å; H518-H522 PolarHBondContact O-N 3.11Å; H518-G575 VanDerWaalsContact O-CA 3.29Å; H518-G575 WeakPolarHBondContact O-CA 3.29Å; H518-E579 IonicContact CE1-OE1 3.37Å; H518-E579 IonicContact CG-OE1 2.74Å; H518-E579 IonicContact ND1-OE1 3.91Å; H518-E579 PolarHBondContact ND1-OE1 2.86Å; H518-D593 IonicContact NE2-OD2 2.67Å
519	E	94.6	Very high	93.8	Very high	17 Å²	17	30.7 Å²	30.7	8%	0.079	15%	0.154	C	C	.	.	H	α-helix	trans	-63.5	-39.9	178.1	-63.3	-59	154	0	0	112.1	V515 G521 H522 A523 V538 I540 G548 Y549 A550 L674	V515-E519 HydrophobicContact CG1-CG 4.27Å; V515-E519 WeakPolarHBondContact O-CG 3.41Å; V515-E519 PolarHBondContact O-N 3.41Å; E519-G521 PolarHBondContact O-N 3.24Å; E519-H522 PolarHBondContact O-N 2.84Å; E519-A523 WeakPolarHBondContact O-CB 3.48Å; E519-A523 PolarHBondContact O-N 3.34Å; E519-V538 HydrophobicContact CB-CG1 3.74Å; E519-I540 HydrophobicContact CB-CG2 4.37Å; E519-I540 HydrophobicContact CG-CG2 4.14Å; E519-G548 WeakPolarHBondContact OE1-CA 3.26Å; E519-Y549 PolarHBondContact OE1-N 3.25Å; E519-Y549 VanDerWaalsContact OE2-C 3.23Å; E519-Y549 WeakPolarHBondContact OE2-CA 3.43Å; E519-A550 PolarHBondContact OE2-N 2.89Å; E519-L674 HydrophobicContact CB-CD1 4.43Å
520	A	95.8	Very high	93.9	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-61.4	-32.3	172.7	0	0	0	0	0	112.4	A516 H518 A523 V524 V667 L670 A671 L674	A516-A520 WeakPolarHBondContact O-CB 3.48Å; A516-A520 PolarHBondContact O-N 3.09Å; H518-A520 PolarHBondContact O-N 2.75Å; A520-A523 PolarHBondContact O-N 3.11Å; A520-V524 WeakPolarHBondContact O-CB 3.32Å; A520-V524 WeakPolarHBondContact O-CG2 3.38Å; A520-V524 PolarHBondContact O-N 2.99Å; A520-V667 HydrophobicContact CB-CG1 3.89Å; A520-L670 HydrophobicContact CB-CB 4.29Å; A520-L670 HydrophobicContact CB-CD2 4.09Å; A520-L670 HydrophobicContact CB-CG 4.24Å; A520-A671 HydrophobicContact CB-CB 3.95Å; A520-L674 HydrophobicContact CB-CD1 4.17Å
521	G	95.5	Very high	93.9	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-61.2	-51.7	173.6	0	0	0	0	0	112.5	Y517 H518 E519 A523 V525	Y517-G521 PolarHBondContact O-N 2.92Å; H518-G521 WeakPolarHBondContact O-CA 3.4Å; H518-G521 PolarHBondContact O-N 3.37Å; E519-G521 PolarHBondContact O-N 3.24Å; G521-A523 VanDerWaalsContact C-N 3.32Å; G521-A523 PolarHBondContact O-N 2.85Å; G521-V525 WeakPolarHBondContact O-CB 3.23Å; G521-V525 VanDerWaalsContact O-CG2 3.24Å; G521-V525 WeakPolarHBondContact O-CG2 3.5Å; G521-V525 PolarHBondContact O-N 3.42Å; G521-V525 VanDerWaalsContact O-N 3.12Å
522	H	94.8	Very high	93.9	Very high	14 Å²	14	21.3 Å²	21.3	7%	0.065	10%	0.1	C	C	.	.	H	α-helix	trans	-60.9	-41.1	174.1	-66.8	-72.9	0	0	0	112.3	H518 E519 G526 Y552 L571 A572 G575 D593	H518-H522 AromaticContact CD2-CD2 3.62Å; H518-H522 AromaticContact CD2-NE2 3.39Å; H518-H522 PolarHBondContact CD2-NE2 3.07Å; H518-H522 AromaticContact NE2-CD2 3.99Å; H518-H522 AromaticContact NE2-NE2 3.25Å; H518-H522 PolarHBondContact NE2-NE2 3.26Å; H518-H522 PolarHBondContact O-CD2 2.78Å; H518-H522 VanDerWaalsContact O-CD2 3.31Å; H518-H522 PolarHBondContact O-N 3.11Å; E519-H522 PolarHBondContact O-N 2.84Å; H522-G526 PolarHBondContact O-N 3.12Å; H522-Y552 PolarHBondContact O-OH 3.41Å; H522-Y552 VanDerWaalsContact O-OH 3.12Å; H522-L571 PolarHBondContact ND1-O 2.95Å; H522-L571 VanDerWaalsContact O-CD1 3.28Å; H522-L571 WeakPolarHBondContact O-CD1 3.3Å; H522-A572 PolarHBondContact CE1-O 2.91Å; H522-A572 VanDerWaalsContact CE1-O 3.28Å; H522-G575 PolarHBondContact CE1-N 3.34Å; H522-G575 WeakPolarHBondContact NE2-CA 3.47Å; H522-G575 PolarHBondContact NE2-N 2.91Å; H522-D593 IonicContact CE1-OD1 3.87Å
523	A	95	Very high	93.7	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-64.3	-51.5	-178.4	0	0	0	0	0	112.5	E519 A520 G521 G526 W527 L535 V538 L670	E519-A523 WeakPolarHBondContact O-CB 3.48Å; E519-A523 PolarHBondContact O-N 3.34Å; A520-A523 PolarHBondContact O-N 3.11Å; G521-A523 VanDerWaalsContact C-N 3.32Å; G521-A523 PolarHBondContact O-N 2.85Å; A523-G526 PolarHBondContact O-N 2.95Å; A523-W527 WeakPolarHBondContact O-CB 3.4Å; A523-W527 PolarHBondContact O-N 3.48Å; A523-L535 HydrophobicContact CB-CD2 3.69Å; A523-V538 HydrophobicContact CB-CG2 3.82Å; A523-L670 HydrophobicContact CB-CD2 3.64Å
524	V	95.6	Very high	93.4	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-66.7	-42	-179.1	173	0	0	0	0	111.5	A520 W527 F528 K663 V667 L670 L689	A520-V524 WeakPolarHBondContact O-CB 3.32Å; A520-V524 WeakPolarHBondContact O-CG2 3.38Å; A520-V524 PolarHBondContact O-N 2.99Å; V524-W527 PolarHBondContact O-N 3.39Å; V524-F528 HydrophobicContact CG1-CD2 3.83Å; V524-F528 HydrophobicContact CG1-CE2 4.05Å; V524-F528 WeakPolarHBondContact O-CD2 3.38Å; V524-F528 PolarHBondContact O-N 2.79Å; V524-K663 HydrophobicContact CG1-CB 3.87Å; V524-V667 HydrophobicContact CB-CG2 3.88Å; V524-V667 HydrophobicContact CG1-CG2 3.84Å; V524-V667 HydrophobicContact CG2-CB 4.4Å; V524-V667 HydrophobicContact CG2-CG2 3.81Å; V524-L670 HydrophobicContact CG2-CD2 3.82Å; V524-L689 HydrophobicContact CG2-CD2 3.92Å
525	V	95.6	Very high	93.3	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-62.7	-44.5	176.6	173.1	0	0	0	0	110.7	G521 W527 F528 L529 C570 T656 L660	G521-V525 WeakPolarHBondContact O-CB 3.23Å; G521-V525 VanDerWaalsContact O-CG2 3.24Å; G521-V525 WeakPolarHBondContact O-CG2 3.5Å; G521-V525 PolarHBondContact O-N 3.42Å; G521-V525 VanDerWaalsContact O-N 3.12Å; V525-W527 VanDerWaalsContact C-N 3.3Å; V525-W527 PolarHBondContact O-N 3.3Å; V525-F528 PolarHBondContact O-N 3Å; V525-L529 HydrophobicContact CG1-CD1 3.52Å; V525-L529 HydrophobicContact CG1-CG 4.25Å; V525-L529 WeakPolarHBondContact O-CB 3.25Å; V525-L529 VanDerWaalsContact O-CG 3.24Å; V525-L529 WeakPolarHBondContact O-CG 3.44Å; V525-L529 PolarHBondContact O-N 3.27Å; V525-C570 HydrophobicContact CG1-CB 4.34Å; V525-T656 HydrophobicContact CG1-CG2 4.36Å; V525-T656 HydrophobicContact CG2-CG2 3.94Å; V525-L660 HydrophobicContact CG2-CD1 4.08Å; V525-L660 HydrophobicContact CG2-CD2 3.77Å; V525-L660 HydrophobicContact CG2-CG 3.73Å
526	G	93.5	Very high	93	Very high	2 Å²	2	15.4 Å²	15.4	2%	0.021	7%	0.074	C	C	.	.	H	α-helix	trans	-64.2	-30.7	176.4	0	0	0	0	0	114.5	H522 A523 C532 L571 R692	H522-G526 PolarHBondContact O-N 3.12Å; A523-G526 PolarHBondContact O-N 2.95Å; G526-C532 WeakPolarHBondContact O-CB 3.3Å; G526-L571 VanDerWaalsContact CA-CD1 3.4Å; G526-R692 PolarHBondContact O-NH2 3.46Å
527	W	93.6	Very high	92.7	Very high	2 Å²	2	16 Å²	16	1%	0.008	8%	0.076	C	C	.	.	H	α-helix	trans	-68.8	-47	177.2	-157.8	-104.3	0	0	0	112.2	A523 V524 V525 L535 L685 I686 L689 G690 R692	A523-W527 WeakPolarHBondContact O-CB 3.4Å; A523-W527 PolarHBondContact O-N 3.48Å; V524-W527 PolarHBondContact O-N 3.39Å; V525-W527 VanDerWaalsContact C-N 3.3Å; V525-W527 PolarHBondContact O-N 3.3Å; W527-L535 HydrophobicContact CE3-CB 4.48Å; W527-L685 HydrophobicContact CH2-CB 4.24Å; W527-L685 HydrophobicContact CZ3-CB 4.16Å; W527-L685 HydrophobicContact CZ3-CD1 4.39Å; W527-I686 HydrophobicContact CH2-CG1 3.76Å; W527-I686 HydrophobicContact CZ2-CG1 3.9Å; W527-L689 HydrophobicContact CB-CD1 4.03Å; W527-L689 HydrophobicContact CD2-CB 4.49Å; W527-L689 HydrophobicContact CD2-CD1 3.81Å; W527-L689 HydrophobicContact CE3-CD1 4.29Å; W527-L689 HydrophobicContact CG-CB 4.36Å; W527-L689 HydrophobicContact CG-CD1 3.68Å; W527-G690 WeakPolarHBondContact CZ2-O 3.15Å; W527-G690 PolarHBondContact NE1-O 3.27Å; W527-R692 HydrophobicContact CD2-CB 4.35Å; W527-R692 HydrophobicContact CD2-CG 4.33Å; W527-R692 HydrophobicContact CG-CG 4.45Å; W527-R692 HydrophobicContact CZ2-CB 4Å; W527-R692 VanDerWaalsContact O-CG 3.31Å; W527-R692 WeakPolarHBondContact O-CG 3.47Å; W527-R692 PolarHBondContact O-NE 3.09Å; W527-R692 VanDerWaalsContact O-NE 3.1Å
528	F	94.1	Very high	92.6	Very high	49 Å²	49	15.5 Å²	15.5	22%	0.215	7%	0.074	C	C	.	.	H	α-helix	trans	-90.7	-0.1	-173.4	-70.9	-71.7	0	0	0	115.3	V524 V525 K663 L666 P693	V524-F528 HydrophobicContact CG1-CD2 3.83Å; V524-F528 HydrophobicContact CG1-CE2 4.05Å; V524-F528 WeakPolarHBondContact O-CD2 3.38Å; V524-F528 PolarHBondContact O-N 2.79Å; V525-F528 PolarHBondContact O-N 3Å; F528-K663 HydrophobicContact CD2-CG 4.07Å; F528-K663 HydrophobicContact CE2-CD 4.32Å; F528-K663 HydrophobicContact CE2-CG 4.22Å; F528-K663 HydrophobicContact CZ-CD 4.43Å; F528-L666 HydrophobicContact CE2-CD1 3.66Å; F528-L666 HydrophobicContact CZ-CD1 3.61Å; F528-P693 HydrophobicContact CD1-CG 4.09Å; F528-P693 HydrophobicContact CE1-CG 4.46Å
529	L	93.7	Very high	92.5	Very high	4 Å²	4	14.9 Å²	14.9	2%	0.021	7%	0.071	C	C	.	.			trans	-93.6	143.8	169	-71.7	175.9	0	0	0	110.9	V525 C532 D567 C570 R655 I659 R692	V525-L529 HydrophobicContact CG1-CD1 3.52Å; V525-L529 HydrophobicContact CG1-CG 4.25Å; V525-L529 WeakPolarHBondContact O-CB 3.25Å; V525-L529 VanDerWaalsContact O-CG 3.24Å; V525-L529 WeakPolarHBondContact O-CG 3.44Å; V525-L529 PolarHBondContact O-N 3.27Å; L529-C532 HydrophobicContact CB-CB 4.13Å; L529-D567 HydrophobicContact CD1-CB 4.27Å; L529-C570 HydrophobicContact CD1-CB 3.66Å; L529-R655 VanDerWaalsContact CD2-NH2 3.34Å; L529-I659 HydrophobicContact CD2-CD1 3.78Å; L529-I659 HydrophobicContact CG-CD1 4.42Å; L529-R692 PolarHBondContact O-NH2 3.48Å
530	E	90.9	Very high	92.3	Very high	101 Å²	101	14.2 Å²	14.2	47%	0.472	7%	0.068	S	C	.	.	S	Bend	trans	-74.6	-46.1	-174.4	-177.6	-177.3	147.1	0	0	112.2	R555 D567 F694	E530-R555 PolarHBondContact O-NH1 3.35Å; E530-R555 PolarHBondContact O-NH2 3.04Å; E530-D567 PolarHBondContact N-OD2 2.76Å; E530-F694 HydrophobicContact CB-CD1 3.87Å; E530-F694 HydrophobicContact CB-CD2 4.31Å; E530-F694 HydrophobicContact CB-CE1 3.62Å; E530-F694 HydrophobicContact CB-CE2 4.09Å; E530-F694 HydrophobicContact CB-CG 4.2Å; E530-F694 HydrophobicContact CB-CZ 3.74Å; E530-F694 HydrophobicContact CG-CD1 3.63Å; E530-F694 HydrophobicContact CG-CE1 3.77Å; E530-F694 HydrophobicContact CG-CG 4.14Å; E530-F694 HydrophobicContact CG-CZ 4.39Å
531	H	90.6	Very high	91.9	Very high	44 Å²	44	15.2 Å²	15.2	20%	0.204	7%	0.074	C	C	.	.	S	Bend	trans	-88.4	-7.8	-169.3	-59.6	-31.9	0	0	0	113.3	R555 Q564 D567	H531-R555 PolarHBondContact O-NH1 3.13Å; H531-Q564 HydrophobicContact CB-CB 4.11Å; H531-Q564 HydrophobicContact CB-CG 3.77Å; H531-D567 HydrophobicContact CB-CB 4.01Å; H531-D567 WeakPolarHBondContact CB-OD2 3.13Å; H531-D567 IonicContact CD2-OD2 2.65Å; H531-D567 IonicContact CG-OD2 2.87Å; H531-D567 PolarHBondContact N-OD2 3.41Å
532	C	89.8	Confident	91.5	Very high	1 Å²	1	16.3 Å²	16.3	1%	0.007	8%	0.08	C	C	.	.	S	Bend	trans	-61.8	136.6	176	-79	0	0	0	0	112.4	G526 L529 R555 R692	G526-C532 WeakPolarHBondContact O-CB 3.3Å; L529-C532 HydrophobicContact CB-CB 4.13Å; C532-R555 PolarHBondContact O-NH2 3.41Å; C532-R555 VanDerWaalsContact O-NH2 3.15Å; C532-R692 PolarHBondContact O-NH1 3.02Å; C532-R692 VanDerWaalsContact O-NH1 3.16Å; C532-R692 PolarHBondContact O-NH2 3.16Å
533	N	88.5	Confident	90.9	Very high	25 Å²	25	16.3 Å²	16.3	13%	0.134	8%	0.08	C	C	.	.	P	Polyproline II helix	trans	-50.5	135.9	170	-72.6	-40.2	0	0	0	110.8	Y552 Q553 R555	N533-Y552 WeakPolarHBondContact O-CD1 3.31Å; N533-Q553 VanDerWaalsContact CB-O 3.25Å; N533-Q553 WeakPolarHBondContact CB-O 3.36Å; N533-R555 PolarHBondContact OD1-N 3.1Å
534	P	87.7	Confident	90.2	Very high	6 Å²	6	17.6 Å²	17.6	4%	0.039	9%	0.094	C	C	.	.	P	Polyproline II helix	trans	-53.9	138.8	177.1	-28.9	36.5	0	0	0	113	Y552 Q553 E696	P534-Y552 CarbonylContact O-C 3.48Å; P534-Y552 VanDerWaalsContact O-CA 3.32Å; P534-Y552 WeakPolarHBondContact O-CA 3.16Å; P534-Q553 HydrophobicContact CB-CB 4.15Å; P534-Q553 WeakPolarHBondContact CD-O 3.37Å; P534-Q553 PolarHBondContact O-N 3.09Å; P534-E696 WeakPolarHBondContact CA-OE1 3.24Å; P534-E696 VanDerWaalsContact CB-OE1 3.25Å; P534-E696 WeakPolarHBondContact CB-OE1 3.36Å; P534-E696 HydrophobicContact CG-CG 4.31Å
535	L	90.8	Very high	89.4	Confident	1 Å²	1	27.8 Å²	27.8	1%	0.005	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	126.1	178.8	-180	59.7	0	0	0	109.9	A523 W527 V538 A550 Y552 L685	A523-L535 HydrophobicContact CB-CD2 3.69Å; W527-L535 HydrophobicContact CE3-CB 4.48Å; L535-V538 HydrophobicContact CD1-CG2 3.91Å; L535-V538 HydrophobicContact CD2-CG2 3.85Å; L535-V538 HydrophobicContact CG-CG2 4.22Å; L535-A550 HydrophobicContact CD1-CB 4.09Å; L535-Y552 HydrophobicContact CB-CD1 4.18Å; L535-Y552 HydrophobicContact CB-CE1 4.1Å; L535-Y552 HydrophobicContact CD1-CD1 3.98Å; L535-Y552 HydrophobicContact CD1-CE1 3.66Å; L535-Y552 HydrophobicContact CD1-CE2 4.46Å; L535-Y552 HydrophobicContact CG-CE1 4.36Å; L535-L685 HydrophobicContact CB-CD1 4.43Å; L535-L685 HydrophobicContact CD2-CD1 3.53Å; L535-L685 HydrophobicContact CG-CD1 3.62Å
536	L	86.6	Confident	88.7	Confident	32 Å²	32	29.6 Å²	29.6	17%	0.168	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	-43.3	-178.3	-63.3	177.7	0	0	0	112.5	Q551 Q553 K682	L536-Q551 WeakPolarHBondContact CB-O 3.38Å; L536-Q551 HydrophobicContact CD1-CG 4.41Å; L536-Q551 PolarHBondContact N-O 3.43Å; L536-Q553 HydrophobicContact CD1-CB 4.11Å; L536-Q553 HydrophobicContact CD2-CB 4.21Å; L536-Q553 HydrophobicContact CG-CB 4.09Å; L536-K682 PolarHBondContact O-N 3.22Å
537	K	90.1	Very high	88.2	Confident	14 Å²	14	33.2 Å²	33.2	6%	0.061	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	148.6	-173.3	-179.2	176.2	179.4	175	0	110.7	D494 Q551 Q679 L680	D494-K537 IonicContact OD1-NZ 3.48Å; D494-K537 PolarHBondContact OD1-NZ 2.81Å; D494-K537 IonicContact OD2-NZ 3.81Å; D494-K537 PolarHBondContact OD2-NZ 3.02Å; K537-Q551 HydrophobicContact CB-CB 4.28Å; K537-Q551 PolarHBondContact N-O 3.05Å; K537-Q551 PolarHBondContact O-N 2.96Å; K537-Q679 VanDerWaalsContact CE-OE1 3.22Å; K537-L680 WeakPolarHBondContact CA-O 3.43Å
538	V	93.3	Very high	87.8	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	140.1	168.6	-174.2	0	0	0	0	108.6	E519 A523 L535 A550 L674 Q679 L680 L685	E519-V538 HydrophobicContact CB-CG1 3.74Å; A523-V538 HydrophobicContact CB-CG2 3.82Å; L535-V538 HydrophobicContact CD1-CG2 3.91Å; L535-V538 HydrophobicContact CD2-CG2 3.85Å; L535-V538 HydrophobicContact CG-CG2 4.22Å; V538-A550 HydrophobicContact CG2-CB 4.38Å; V538-L674 HydrophobicContact CB-CD2 4.16Å; V538-L674 HydrophobicContact CG1-CD1 3.93Å; V538-L674 HydrophobicContact CG1-CD2 3.84Å; V538-Q679 CarbonylContact O-C 3.55Å; V538-Q679 VanDerWaalsContact O-CA 3.26Å; V538-Q679 WeakPolarHBondContact O-CA 3.35Å; V538-L680 PolarHBondContact N-O 3.36Å; V538-L680 PolarHBondContact O-N 3.21Å; V538-L685 HydrophobicContact CG2-CD1 4.44Å; V538-L685 HydrophobicContact CG2-CD2 4.35Å
539	S	92	Very high	87.5	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	146.7	174.4	-173.6	0	0	0	0	112.9	I541 G548 Y549 E678	S539-I541 WeakPolarHBondContact OG-CG1 3.43Å; S539-I541 PolarHBondContact OG-N 3.49Å; S539-G548 CarbonylContact O-C 3.57Å; S539-G548 WeakPolarHBondContact O-CA 3.4Å; S539-Y549 PolarHBondContact N-O 2.86Å; S539-Y549 PolarHBondContact O-N 3.27Å; S539-E678 WeakPolarHBondContact CA-O 2.91Å; S539-E678 PolarHBondContact OG-O 3.17Å
540	I	91.5	Very high	87.3	Confident	4 Å²	4	33.3 Å²	33.3	2%	0.021	18%	0.178	C	C	.	.			trans	-109	18.3	175.3	62.4	168	0	0	0	112.3	K512 V515 A516 E519 L547 L674 L675 E678	K512-I540 HydrophobicContact CD-CD1 4.34Å; K512-I540 HydrophobicContact CG-CD1 3.97Å; V515-I540 HydrophobicContact CG1-CB 4.14Å; V515-I540 HydrophobicContact CG1-CG2 4.09Å; A516-I540 HydrophobicContact CB-CD1 4.26Å; A516-I540 HydrophobicContact CB-CG2 4.2Å; E519-I540 HydrophobicContact CB-CG2 4.37Å; E519-I540 HydrophobicContact CG-CG2 4.14Å; I540-L547 CarbonylContact C-O 3.56Å; I540-L674 WeakPolarHBondContact CD1-O 3.43Å; I540-L674 HydrophobicContact CG2-CB 4.36Å; I540-L674 HydrophobicContact CG2-CD2 4.4Å; I540-L675 HydrophobicContact CD1-CD2 4.15Å; I540-E678 HydrophobicContact CG1-CB 4.3Å; I540-E678 WeakPolarHBondContact CG1-O 3.48Å; I540-E678 PolarHBondContact N-O 2.95Å
541	I	87.4	Confident	87.2	Confident	21 Å²	21	29.7 Å²	29.7	11%	0.108	16%	0.161	C	C	.	.			trans	-83.9	121	179.9	-62.1	171	0	0	0	108.8	E501 S539 R543 E678	E501-I541 HydrophobicContact CG-CG2 3.76Å; S539-I541 WeakPolarHBondContact OG-CG1 3.43Å; S539-I541 PolarHBondContact OG-N 3.49Å; I541-R543 PolarHBondContact O-N 3.04Å; I541-E678 HydrophobicContact CD1-CB 4.14Å; I541-E678 HydrophobicContact CG1-CB 3.84Å
542	P	86.4	Confident	87	Confident	22 Å²	22	29.7 Å²	29.7	14%	0.143	16%	0.16	C	C	.	.			trans	-68.4	119.2	-176.7	26.2	-34	0	0	0	111.8	K502 A546	K502-P542 PolarHBondContact N-O 3.3Å; P542-A546 WeakPolarHBondContact CA-O 3.41Å
543	R	82.9	Confident	86.8	Confident	14 Å²	14	30.3 Å²	30.3	5%	0.053	16%	0.162	C	C	.	.	B	Isolated β-bridge	trans	-130	127.1	-178	-70.2	-176.3	-177	-76.8	-16	110.5	A498 L500 E501 I541 K545 A546	A498-R543 HydrophobicContact CB-CB 3.57Å; A498-R543 HydrophobicContact CB-CG 4.26Å; A498-R543 CarbonylContact O-C 3.51Å; A498-R543 VanDerWaalsContact O-C 3.29Å; A498-R543 WeakPolarHBondContact O-CB 3.48Å; L500-R543 WeakPolarHBondContact O-CA 3.31Å; E501-R543 IonicContact OE2-CZ 3.18Å; E501-R543 IonicContact OE2-NH1 2.7Å; E501-R543 IonicContact OE2-NH2 2.76Å; E501-R543 PolarHBondContact OE2-NH2 3Å; I541-R543 PolarHBondContact O-N 3.04Å; R543-K545 PolarHBondContact O-N 3.48Å; R543-A546 PolarHBondContact N-O 3.29Å; R543-A546 PolarHBondContact O-N 3.13Å
544	G	79.4	Confident	86.3	Confident	28 Å²	28	31.6 Å²	31.6	29%	0.289	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	-110.4	177.9	0	0	0	0	0	113.1	A498 L500 K502	A498-G544 PolarHBondContact O-N 3.42Å; L500-G544 PolarHBondContact O-N 2.97Å; L500-G544 VanDerWaalsContact O-N 3.07Å; K502-G544 WeakPolarHBondContact CE-O 3.35Å; K502-G544 PolarHBondContact NZ-O 3.32Å
545	K	78.8	Confident	85.6	Confident	213 Å²	213	35 Å²	35	93%	0.926	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.2	-17.3	173.5	-71.9	-178.1	179	178.7	0	113.7	R543	R543-K545 PolarHBondContact O-N 3.48Å
546	A	80.4	Confident	84.3	Confident	39 Å²	39	41.5 Å²	41.5	32%	0.322	22%	0.219	S	C	.	.	B	Isolated β-bridge	trans	-84.4	143.8	-175.3	0	0	0	0	0	111.1	P542 R543 G548	P542-A546 WeakPolarHBondContact CA-O 3.41Å; R543-A546 PolarHBondContact N-O 3.29Å; R543-A546 PolarHBondContact O-N 3.13Å; A546-G548 WeakPolarHBondContact CB-O 3.41Å
547	L	83.7	Confident	83.6	Confident	77 Å²	77	43 Å²	43	40%	0.403	23%	0.227	S	C	.	.	S	Bend	trans	-93.4	-31.5	174.5	-59.5	-174	0	0	0	111.9	L507 V515 I540	L507-L547 HydrophobicContact CD1-CB 4.46Å; L507-L547 HydrophobicContact CD2-CD1 4.46Å; L507-L547 HydrophobicContact CD2-CD2 4.15Å; V515-L547 HydrophobicContact CG1-CB 4.33Å; V515-L547 HydrophobicContact CG2-CB 3.88Å; V515-L547 HydrophobicContact CG2-CD1 4.18Å; I540-L547 CarbonylContact C-O 3.56Å
548	G	85.4	Confident	82.8	Confident	10 Å²	10	52.9 Å²	52.9	10%	0.103	27%	0.265	C	S	.	.			trans	-144.3	175.7	167.3	0	0	0	0	0	109.7	E519 S539 A546	E519-G548 WeakPolarHBondContact OE1-CA 3.26Å; S539-G548 CarbonylContact O-C 3.57Å; S539-G548 WeakPolarHBondContact O-CA 3.4Å; A546-G548 WeakPolarHBondContact CB-O 3.41Å
549	Y	87.5	Confident	82.4	Confident	25 Å²	25	60.1 Å²	60.1	10%	0.098	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	146.4	169.2	62.3	-76.2	0	0	0	112.1	D494 A498 E519 S539	D494-Y549 PolarHBondContact OD1-OH 2.92Å; A498-Y549 HydrophobicContact CB-CD1 4.31Å; A498-Y549 HydrophobicContact CB-CE1 4.23Å; E519-Y549 PolarHBondContact OE1-N 3.25Å; E519-Y549 VanDerWaalsContact OE2-C 3.23Å; E519-Y549 WeakPolarHBondContact OE2-CA 3.43Å; S539-Y549 PolarHBondContact N-O 2.86Å; S539-Y549 PolarHBondContact O-N 3.27Å
550	A	89.2	Confident	82.2	Confident	23 Å²	23	66.1 Å²	66.1	19%	0.19	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	127.5	165.2	0	0	0	0	0	110.7	E519 L535 V538 Y552	E519-A550 PolarHBondContact OE2-N 2.89Å; L535-A550 HydrophobicContact CD1-CB 4.09Å; V538-A550 HydrophobicContact CG2-CB 4.38Å; A550-Y552 HydrophobicContact CB-CD2 4.41Å; A550-Y552 HydrophobicContact CB-CE2 3.55Å
551	Q	88.5	Confident	82.3	Confident	25 Å²	25	68.6 Å²	68.6	12%	0.117	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	118.1	179.1	-172.5	-175.4	-2.7	0	0	110.3	R456 I497 L536 K537	R456-Q551 PolarHBondContact O-NE2 2.79Å; I497-Q551 HydrophobicContact CD1-CG 4.48Å; L536-Q551 WeakPolarHBondContact CB-O 3.38Å; L536-Q551 HydrophobicContact CD1-CG 4.41Å; L536-Q551 PolarHBondContact N-O 3.43Å; K537-Q551 HydrophobicContact CB-CB 4.28Å; K537-Q551 PolarHBondContact N-O 3.05Å; K537-Q551 PolarHBondContact O-N 2.96Å
552	Y	88.1	Confident	82.5	Confident	44 Å²	44	72.1 Å²	72.1	17%	0.173	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	146.9	178.6	-60.3	-88.8	0	0	0	111.6	H522 N533 P534 L535 A550 P554 L571	H522-Y552 PolarHBondContact O-OH 3.41Å; H522-Y552 VanDerWaalsContact O-OH 3.12Å; N533-Y552 WeakPolarHBondContact O-CD1 3.31Å; P534-Y552 CarbonylContact O-C 3.48Å; P534-Y552 VanDerWaalsContact O-CA 3.32Å; P534-Y552 WeakPolarHBondContact O-CA 3.16Å; L535-Y552 HydrophobicContact CB-CD1 4.18Å; L535-Y552 HydrophobicContact CB-CE1 4.1Å; L535-Y552 HydrophobicContact CD1-CD1 3.98Å; L535-Y552 HydrophobicContact CD1-CE1 3.66Å; L535-Y552 HydrophobicContact CD1-CE2 4.46Å; L535-Y552 HydrophobicContact CG-CE1 4.36Å; A550-Y552 HydrophobicContact CB-CD2 4.41Å; A550-Y552 HydrophobicContact CB-CE2 3.55Å; Y552-P554 WeakPolarHBondContact O-CD 3.42Å; Y552-L571 HydrophobicContact CD1-CD2 4.41Å; Y552-L571 HydrophobicContact CE1-CD1 4.03Å; Y552-L571 HydrophobicContact CE1-CD2 4.04Å; Y552-L571 HydrophobicContact CE2-CD2 4.36Å; Y552-L571 WeakPolarHBondContact OH-CD1 3.43Å
553	Q	84.6	Confident	82.8	Confident	13 Å²	13	76 Å²	76	6%	0.061	37%	0.372	C	S	.	.			trans	-83.2	103	169.3	177.3	62.2	30	0	0	109.3	A455 P458 N533 P534 L536 R555	A455-Q553 PolarHBondContact O-OE1 2.94Å; P458-Q553 VanDerWaalsContact CB-OE1 3.29Å; P458-Q553 VanDerWaalsContact CG-OE1 3.26Å; N533-Q553 VanDerWaalsContact CB-O 3.25Å; N533-Q553 WeakPolarHBondContact CB-O 3.36Å; P534-Q553 HydrophobicContact CB-CB 4.15Å; P534-Q553 WeakPolarHBondContact CD-O 3.37Å; P534-Q553 PolarHBondContact O-N 3.09Å; L536-Q553 HydrophobicContact CD1-CB 4.11Å; L536-Q553 HydrophobicContact CD2-CB 4.21Å; L536-Q553 HydrophobicContact CG-CB 4.09Å; Q553-R555 PolarHBondContact O-N 3.03Å
554	P	78.6	Confident	83.3	Confident	53 Å²	53	77.2 Å²	77.2	34%	0.344	38%	0.378	S	S	.	.			trans	-57.2	136.9	172.1	26.1	-35.6	0	0	0	110.5	P458 Y552	P458-P554 HydrophobicContact CB-CG 3.8Å; P458-P554 HydrophobicContact CG-CG 4.29Å; Y552-P554 WeakPolarHBondContact O-CD 3.42Å
555	R	73.2	Confident	83.9	Confident	77 Å²	77	76.6 Å²	76.6	29%	0.291	37%	0.368	S	S	.	.			trans	-83.4	136.5	167.7	-61	175.3	178.7	174.7	1.3	109	E530 H531 C532 N533 Q553 I557	E530-R555 PolarHBondContact O-NH1 3.35Å; E530-R555 PolarHBondContact O-NH2 3.04Å; H531-R555 PolarHBondContact O-NH1 3.13Å; C532-R555 PolarHBondContact O-NH2 3.41Å; C532-R555 VanDerWaalsContact O-NH2 3.15Å; N533-R555 PolarHBondContact OD1-N 3.1Å; Q553-R555 PolarHBondContact O-N 3.03Å; R555-I557 HydrophobicContact CB-CD1 3.63Å; R555-I557 HydrophobicContact CB-CG1 3.78Å; R555-I557 HydrophobicContact CG-CD1 4.4Å; R555-I557 PolarHBondContact O-N 2.83Å
556	D	63.6	Low	84.7	Confident	137 Å²	137	68.3 Å²	68.3	73%	0.733	33%	0.333	S	S	*	.			trans	-76	70.6	178.4	-60.6	-44.2	0	0	0	111
557	I	70.4	Confident	85.4	Confident	65 Å²	65	66.6 Å²	66.6	33%	0.333	32%	0.319	S	S	.	.			trans	-112.6	109	-175.5	-60.4	174.7	0	0	0	109.6	R555 L559	R555-I557 HydrophobicContact CB-CD1 3.63Å; R555-I557 HydrophobicContact CB-CG1 3.78Å; R555-I557 HydrophobicContact CG-CD1 4.4Å; R555-I557 PolarHBondContact O-N 2.83Å; I557-L559 WeakPolarHBondContact CG2-O 3.4Å
558	Y	73.8	Confident	85.9	Confident	221 Å²	221	64.4 Å²	64.4	87%	0.867	31%	0.307	S	S	*	.	S	Bend	trans	-75.3	-26.7	175.6	-64.6	-80.8	0	0	0	113.6
559	L	84.6	Confident	86.4	Confident	151 Å²	151	64 Å²	64	79%	0.791	30%	0.302	S	S	*	.	S	Bend	trans	-119.1	109	-175.8	-61.4	177.3	0	0	0	110.1	I557	I557-L559 WeakPolarHBondContact CG2-O 3.4Å
560	R	89	Confident	86.8	Confident	126 Å²	126	62.8 Å²	62.8	48%	0.475	30%	0.297	S	S	.	.			trans	-96	131.3	-178.9	-61.4	-177.1	-176.6	-151.2	-8.7	111.4	M565 E568	R560-M565 HydrophobicContact CB-CG 3.97Å; R560-M565 HydrophobicContact CB-SD 4.29Å; R560-E568 IonicContact CZ-OE1 3.15Å; R560-E568 IonicContact CZ-OE2 2.78Å; R560-E568 IonicContact NH1-OE1 3.4Å; R560-E568 PolarHBondContact NH1-OE1 2.73Å; R560-E568 IonicContact NH1-OE2 3.72Å; R560-E568 PolarHBondContact NH1-OE2 3.2Å; R560-E568 IonicContact NH2-OE1 3.42Å
561	T	91.9	Very high	87.1	Confident	56 Å²	56	62.3 Å²	62.3	34%	0.344	29%	0.292	S	S	.	.			trans	-84.8	166.1	172.5	84.2	0	0	0	0	111.5	E563 Q564 M565	T561-E563 VanDerWaalsContact C-N 3.28Å; T561-E563 WeakPolarHBondContact CB-OE2 3.31Å; T561-E563 PolarHBondContact O-N 3.45Å; T561-E563 PolarHBondContact OG1-N 3.39Å; T561-E563 PolarHBondContact OG1-OE2 3.06Å; T561-Q564 HydrophobicContact CG2-CG 4.48Å; T561-Q564 VanDerWaalsContact N-OE1 3.12Å; T561-Q564 PolarHBondContact O-N 2.95Å; T561-Q564 WeakPolarHBondContact OG1-CG 3.43Å; T561-Q564 PolarHBondContact OG1-N 3.43Å; T561-M565 WeakPolarHBondContact O-CG 3.27Å; T561-M565 PolarHBondContact O-N 3.12Å
562	K	92.2	Very high	87.4	Confident	95 Å²	95	61.5 Å²	61.5	41%	0.413	29%	0.289	S	S	.	.	H	α-helix	trans	-62.2	-37.7	178.1	-175.3	171.8	-179.2	167.2	0	111.9	M565 L566 F610	K562-M565 PolarHBondContact O-N 2.76Å; K562-L566 WeakPolarHBondContact O-CB 3.26Å; K562-L566 PolarHBondContact O-N 2.73Å; K562-F610 HydrophobicContact CB-CD2 4.02Å; K562-F610 HydrophobicContact CB-CE2 4.03Å; K562-F610 HydrophobicContact CD-CB 4.26Å; K562-F610 HydrophobicContact CD-CD2 4.46Å; K562-F610 HydrophobicContact CD-CG 4.42Å; K562-F610 HydrophobicContact CG-CD2 4.03Å; K562-F610 HydrophobicContact CG-CG 4.48Å; K562-F610 PolarHBondContact NZ-O 2.92Å
563	E	93	Very high	87.8	Confident	103 Å²	103	59.6 Å²	59.6	48%	0.481	28%	0.282	S	S	.	.	H	α-helix	trans	-66.2	-44.1	177.9	-54.9	67.6	-142.9	0	0	110.4	T561 L566 D567	T561-E563 VanDerWaalsContact C-N 3.28Å; T561-E563 WeakPolarHBondContact CB-OE2 3.31Å; T561-E563 PolarHBondContact O-N 3.45Å; T561-E563 PolarHBondContact OG1-N 3.39Å; T561-E563 PolarHBondContact OG1-OE2 3.06Å; E563-L566 PolarHBondContact O-N 3.45Å; E563-D567 PolarHBondContact O-N 3.35Å
564	Q	92.7	Very high	88.4	Confident	41 Å²	41	59 Å²	59	19%	0.192	28%	0.279	C	S	.	.	H	α-helix	trans	-62.2	-43.7	176.5	-64.2	174.5	-6.1	0	0	111.8	H531 T561 D567 E568	H531-Q564 HydrophobicContact CB-CB 4.11Å; H531-Q564 HydrophobicContact CB-CG 3.77Å; T561-Q564 HydrophobicContact CG2-CG 4.48Å; T561-Q564 VanDerWaalsContact N-OE1 3.12Å; T561-Q564 PolarHBondContact O-N 2.95Å; T561-Q564 WeakPolarHBondContact OG1-CG 3.43Å; T561-Q564 PolarHBondContact OG1-N 3.43Å; Q564-D567 PolarHBondContact O-N 3.45Å; Q564-E568 PolarHBondContact O-N 2.99Å
565	M	93.6	Very high	89.1	Confident	14 Å²	14	56.4 Å²	56.4	7%	0.069	26%	0.262	C	S	.	.	H	α-helix	trans	-69.7	-32.2	177	-64.8	-171.2	74.9	0	0	112.7	R560 T561 K562 E568 M569 Q604 L608 F610	R560-M565 HydrophobicContact CB-CG 3.97Å; R560-M565 HydrophobicContact CB-SD 4.29Å; T561-M565 WeakPolarHBondContact O-CG 3.27Å; T561-M565 PolarHBondContact O-N 3.12Å; K562-M565 PolarHBondContact O-N 2.76Å; M565-E568 PolarHBondContact O-N 3.42Å; M565-M569 WeakPolarHBondContact O-CG 3.38Å; M565-M569 PolarHBondContact O-N 3.04Å; M565-Q604 HydrophobicContact CB-CG 4.29Å; M565-Q604 HydrophobicContact CE-CG 3.54Å; M565-Q604 HydrophobicContact SD-CG 3.7Å; M565-L608 HydrophobicContact CE-CD1 3.95Å; M565-L608 HydrophobicContact SD-CD1 3.51Å; M565-L608 VanDerWaalsContact SD-CD1 3.51Å; M565-F610 HydrophobicContact SD-CE2 3.91Å
566	L	95.1	Very high	90.2	Very high	39 Å²	39	56.8 Å²	56.8	20%	0.204	26%	0.264	C	S	.	.	H	α-helix	trans	-66.8	-42.2	172.5	-175.5	66.8	0	0	0	111.4	K562 E563 M569 C570 L648 A652	K562-L566 WeakPolarHBondContact O-CB 3.26Å; K562-L566 PolarHBondContact O-N 2.73Å; E563-L566 PolarHBondContact O-N 3.45Å; L566-M569 WeakPolarHBondContact O-CB 3.07Å; L566-M569 PolarHBondContact O-N 3.04Å; L566-C570 PolarHBondContact O-N 3.26Å; L566-C570 PolarHBondContact O-SG 2.64Å; L566-L648 HydrophobicContact CD1-CD1 4.41Å; L566-A652 HydrophobicContact CD1-CB 3.87Å
567	D	95.1	Very high	91.7	Very high	4 Å²	4	50.2 Å²	50.2	2%	0.021	23%	0.229	C	C	.	.	H	α-helix	trans	-61.6	-42.7	173.5	-83.8	17.8	0	0	0	111.6	L529 E530 H531 E563 Q564 M569 C570 L571 R655	L529-D567 HydrophobicContact CD1-CB 4.27Å; E530-D567 PolarHBondContact N-OD2 2.76Å; H531-D567 HydrophobicContact CB-CB 4.01Å; H531-D567 WeakPolarHBondContact CB-OD2 3.13Å; H531-D567 IonicContact CD2-OD2 2.65Å; H531-D567 IonicContact CG-OD2 2.87Å; H531-D567 PolarHBondContact N-OD2 3.41Å; E563-D567 PolarHBondContact O-N 3.35Å; Q564-D567 PolarHBondContact O-N 3.45Å; D567-M569 VanDerWaalsContact C-N 3.3Å; D567-M569 PolarHBondContact O-N 3.12Å; D567-C570 PolarHBondContact O-N 3.24Å; D567-L571 WeakPolarHBondContact O-CB 3.39Å; D567-L571 PolarHBondContact O-N 3.16Å; D567-R655 IonicContact OD1-CZ 2.83Å; D567-R655 IonicContact OD1-NH1 3.75Å; D567-R655 PolarHBondContact OD1-NH1 2.88Å; D567-R655 IonicContact OD1-NH2 2.69Å; D567-R655 PolarHBondContact OD1-NH2 3.49Å
568	E	93.2	Very high	93	Very high	31 Å²	31	47.1 Å²	47.1	15%	0.145	21%	0.213	C	C	.	.	H	α-helix	trans	-61.4	-34.8	172.7	-74.8	-171	156.2	0	0	112.9	R560 Q564 M565 A572	R560-E568 IonicContact CZ-OE1 3.15Å; R560-E568 IonicContact CZ-OE2 2.78Å; R560-E568 IonicContact NH1-OE1 3.4Å; R560-E568 PolarHBondContact NH1-OE1 2.73Å; R560-E568 IonicContact NH1-OE2 3.72Å; R560-E568 PolarHBondContact NH1-OE2 3.2Å; R560-E568 IonicContact NH2-OE1 3.42Å; Q564-E568 PolarHBondContact O-N 2.99Å; M565-E568 PolarHBondContact O-N 3.42Å; E568-A572 PolarHBondContact O-N 2.76Å
569	M	96.2	Very high	94	Very high	1 Å²	1	37 Å²	37	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-69.7	-44.6	173.9	-72.8	175.1	70.5	0	0	111.8	M565 L566 D567 L571 A572 L573 V597 A601 Q604 L648 V649 A652	M565-M569 WeakPolarHBondContact O-CG 3.38Å; M565-M569 PolarHBondContact O-N 3.04Å; L566-M569 WeakPolarHBondContact O-CB 3.07Å; L566-M569 PolarHBondContact O-N 3.04Å; D567-M569 VanDerWaalsContact C-N 3.3Å; D567-M569 PolarHBondContact O-N 3.12Å; M569-L571 VanDerWaalsContact C-N 3.29Å; M569-L571 PolarHBondContact O-N 3.22Å; M569-A572 PolarHBondContact O-N 3.21Å; M569-L573 WeakPolarHBondContact O-CG 3.44Å; M569-L573 PolarHBondContact O-N 3.5Å; M569-V597 HydrophobicContact CE-CG1 3.83Å; M569-A601 HydrophobicContact CE-CB 3.92Å; M569-Q604 PolarHBondContact SD-NE2 3.01Å; M569-L648 HydrophobicContact CE-CD2 4.27Å; M569-L648 HydrophobicContact CE-CG 4Å; M569-L648 HydrophobicContact SD-CD2 4.15Å; M569-L648 HydrophobicContact SD-CG 4.22Å; M569-V649 HydrophobicContact CE-CB 4.48Å; M569-V649 HydrophobicContact CE-CG2 3.76Å; M569-A652 HydrophobicContact CB-CB 4.13Å; M569-A652 HydrophobicContact CE-CB 4.36Å
570	C	97	Very high	94.5	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-58.6	-42.8	175	-66.5	0	0	0	0	111.3	V525 L529 L566 D567 A572 L573 G574 T656	V525-C570 HydrophobicContact CG1-CB 4.34Å; L529-C570 HydrophobicContact CD1-CB 3.66Å; L566-C570 PolarHBondContact O-N 3.26Å; L566-C570 PolarHBondContact O-SG 2.64Å; D567-C570 PolarHBondContact O-N 3.24Å; C570-A572 PolarHBondContact O-N 2.98Å; C570-L573 PolarHBondContact O-N 2.97Å; C570-G574 PolarHBondContact O-N 2.75Å; C570-T656 VanDerWaalsContact CA-OG1 3.27Å; C570-T656 WeakPolarHBondContact CA-OG1 3.39Å; C570-T656 WeakPolarHBondContact CB-OG1 3.5Å; C570-T656 PolarHBondContact O-OG1 2.89Å
571	L	95.4	Very high	94.8	Very high	13 Å²	13	28.2 Å²	28.2	7%	0.068	14%	0.135	C	C	.	.	H	α-helix	trans	-56.1	-49.4	176.6	-175.6	61.7	0	0	0	112.2	H522 G526 Y552 D567 M569 L573 G574	H522-L571 PolarHBondContact ND1-O 2.95Å; H522-L571 VanDerWaalsContact O-CD1 3.28Å; H522-L571 WeakPolarHBondContact O-CD1 3.3Å; G526-L571 VanDerWaalsContact CA-CD1 3.4Å; Y552-L571 HydrophobicContact CD1-CD2 4.41Å; Y552-L571 HydrophobicContact CE1-CD1 4.03Å; Y552-L571 HydrophobicContact CE1-CD2 4.04Å; Y552-L571 HydrophobicContact CE2-CD2 4.36Å; Y552-L571 WeakPolarHBondContact OH-CD1 3.43Å; D567-L571 WeakPolarHBondContact O-CB 3.39Å; D567-L571 PolarHBondContact O-N 3.16Å; M569-L571 VanDerWaalsContact C-N 3.29Å; M569-L571 PolarHBondContact O-N 3.22Å; L571-L573 VanDerWaalsContact C-N 3.34Å; L571-G574 PolarHBondContact O-N 2.83Å
572	A	95	Very high	94.9	Very high	7 Å²	7	27.7 Å²	27.7	6%	0.058	13%	0.128	C	C	.	.	H	α-helix	trans	-69.3	-29.9	178.5	0	0	0	0	0	112.6	H522 E568 M569 C570 G574 D593 V597	H522-A572 PolarHBondContact CE1-O 2.91Å; H522-A572 VanDerWaalsContact CE1-O 3.28Å; E568-A572 PolarHBondContact O-N 2.76Å; M569-A572 PolarHBondContact O-N 3.21Å; C570-A572 PolarHBondContact O-N 2.98Å; A572-G574 PolarHBondContact O-N 3.47Å; A572-D593 HydrophobicContact CB-CB 4.4Å; A572-D593 VanDerWaalsContact O-CB 3.32Å; A572-D593 WeakPolarHBondContact O-CB 3.2Å; A572-V597 HydrophobicContact CB-CG2 3.52Å
573	L	96.4	Very high	95	Very high	4 Å²	4	26 Å²	26	2%	0.021	12%	0.121	C	C	.	.	H	α-helix	trans	-75.1	-12.6	173.3	-69.3	171.7	0	0	0	113.8	M569 C570 L571 G575 R576 A577 L594 V597 A652 Y653 T656	M569-L573 WeakPolarHBondContact O-CG 3.44Å; M569-L573 PolarHBondContact O-N 3.5Å; C570-L573 PolarHBondContact O-N 2.97Å; L571-L573 VanDerWaalsContact C-N 3.34Å; L573-G575 PolarHBondContact O-N 2.95Å; L573-R576 PolarHBondContact O-N 2.98Å; L573-A577 WeakPolarHBondContact O-CB 3.23Å; L573-A577 PolarHBondContact O-N 3.38Å; L573-L594 HydrophobicContact CD2-CD2 4.24Å; L573-V597 HydrophobicContact CD1-CG1 4.3Å; L573-V597 HydrophobicContact CD2-CG1 4.19Å; L573-V597 HydrophobicContact CD2-CG2 3.94Å; L573-V597 HydrophobicContact CG-CG1 4.27Å; L573-V597 HydrophobicContact CG-CG2 3.82Å; L573-A652 HydrophobicContact CD1-CB 3.73Å; L573-Y653 HydrophobicContact CB-CD2 4.12Å; L573-Y653 HydrophobicContact CD1-CD2 4.22Å; L573-Y653 HydrophobicContact CD2-CD2 4.06Å; L573-Y653 HydrophobicContact CG-CD2 4.35Å; L573-T656 HydrophobicContact CB-CG2 4.37Å
574	G	95.8	Very high	94.9	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-55.2	-47.2	-173.7	0	0	0	0	0	115	C570 L571 A572 A577 S578	C570-G574 PolarHBondContact O-N 2.75Å; L571-G574 PolarHBondContact O-N 2.83Å; A572-G574 PolarHBondContact O-N 3.47Å; G574-A577 PolarHBondContact O-N 3.42Å; G574-S578 WeakPolarHBondContact O-CB 3.39Å; G574-S578 PolarHBondContact O-N 3.24Å
575	G	94.6	Very high	94.9	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-62.3	-51.6	-179.8	0	0	0	0	0	113	H518 H522 L573 A577 S578 E579	H518-G575 VanDerWaalsContact O-CA 3.29Å; H518-G575 WeakPolarHBondContact O-CA 3.29Å; H522-G575 PolarHBondContact CE1-N 3.34Å; H522-G575 WeakPolarHBondContact NE2-CA 3.47Å; H522-G575 PolarHBondContact NE2-N 2.91Å; L573-G575 PolarHBondContact O-N 2.95Å; G575-A577 PolarHBondContact O-N 3.04Å; G575-S578 WeakPolarHBondContact O-CB 3.4Å; G575-S578 PolarHBondContact O-N 2.83Å; G575-E579 PolarHBondContact O-N 3.21Å
576	R	94.9	Very high	94.7	Very high	84 Å²	84	30.7 Å²	30.7	32%	0.317	16%	0.163	S	C	.	.	H	α-helix	trans	-62.2	-40.1	177	-175.9	176.1	173.7	160.6	2.7	112.9	L573 S578 E579 E580 V586 A590 L594 Y653	L573-R576 PolarHBondContact O-N 2.98Å; R576-S578 VanDerWaalsContact C-N 3.31Å; R576-E579 PolarHBondContact O-N 2.73Å; R576-E580 PolarHBondContact O-N 3.23Å; R576-V586 HydrophobicContact CG-CB 4.35Å; R576-V586 HydrophobicContact CG-CG1 3.91Å; R576-A590 HydrophobicContact CB-CB 3.9Å; R576-A590 HydrophobicContact CG-CB 4.45Å; R576-L594 VanDerWaalsContact NH1-CD1 3.31Å; R576-Y653 HydrophobicContact CG-CE2 4.43Å
577	A	96.3	Very high	94.3	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-66.7	-34.4	177.4	0	0	0	0	0	111.8	L573 G574 G575 E580 V581 Y653 T656 L657 L660	L573-A577 WeakPolarHBondContact O-CB 3.23Å; L573-A577 PolarHBondContact O-N 3.38Å; G574-A577 PolarHBondContact O-N 3.42Å; G575-A577 PolarHBondContact O-N 3.04Å; A577-E580 PolarHBondContact O-N 3.34Å; A577-V581 VanDerWaalsContact O-CG2 3.27Å; A577-V581 WeakPolarHBondContact O-CG2 3.37Å; A577-V581 PolarHBondContact O-N 3.31Å; A577-V581 VanDerWaalsContact O-N 3.12Å; A577-Y653 HydrophobicContact CB-CD2 4.41Å; A577-Y653 HydrophobicContact CB-CE2 3.76Å; A577-T656 HydrophobicContact CB-CG2 3.76Å; A577-L657 HydrophobicContact CB-CD2 3.96Å; A577-L657 HydrophobicContact CB-CG 4.32Å; A577-L660 HydrophobicContact CB-CD1 3.48Å; A577-L660 VanDerWaalsContact CB-CD1 3.48Å
578	S	96.5	Very high	94	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-66.4	-46	174.5	-172.9	0	0	0	0	111.6	Y517 G574 G575 R576 E580 V581 F582	Y517-S578 VanDerWaalsContact O-CB 3.26Å; Y517-S578 WeakPolarHBondContact O-CB 3.43Å; Y517-S578 PolarHBondContact O-OG 2.78Å; G574-S578 WeakPolarHBondContact O-CB 3.39Å; G574-S578 PolarHBondContact O-N 3.24Å; G575-S578 WeakPolarHBondContact O-CB 3.4Å; G575-S578 PolarHBondContact O-N 2.83Å; R576-S578 VanDerWaalsContact C-N 3.31Å; S578-E580 VanDerWaalsContact C-N 3.29Å; S578-E580 PolarHBondContact O-N 2.85Å; S578-V581 PolarHBondContact O-N 2.65Å; S578-V581 VanDerWaalsContact O-N 3.15Å; S578-F582 WeakPolarHBondContact O-CD2 3.32Å; S578-F582 PolarHBondContact O-N 3.47Å
579	E	94.9	Very high	93.6	Very high	7 Å²	7	36.8 Å²	36.8	3%	0.033	23%	0.228	C	C	.	.	H	α-helix	trans	-55.1	-43.1	175.2	-70.5	178.2	-179.9	0	0	112.6	T514 H518 G575 R576 F583 G584 K585 V586 G587	T514-E579 HydrophobicContact CG2-CG 4.16Å; H518-E579 IonicContact CE1-OE1 3.37Å; H518-E579 IonicContact CG-OE1 2.74Å; H518-E579 IonicContact ND1-OE1 3.91Å; H518-E579 PolarHBondContact ND1-OE1 2.86Å; G575-E579 PolarHBondContact O-N 3.21Å; R576-E579 PolarHBondContact O-N 2.73Å; E579-F583 HydrophobicContact CB-CD2 4.33Å; E579-F583 WeakPolarHBondContact O-CA 3.34Å; E579-F583 WeakPolarHBondContact O-CB 3.46Å; E579-F583 PolarHBondContact O-N 2.75Å; E579-G584 PolarHBondContact O-N 2.63Å; E579-K585 CarbonylContact C-O 3.58Å; E579-V586 WeakPolarHBondContact OE2-CA 3.4Å; E579-G587 PolarHBondContact OE2-N 3.03Å
580	E	94.9	Very high	93.2	Very high	72 Å²	72	36.9 Å²	36.9	34%	0.336	23%	0.229	S	C	.	.	H	α-helix	trans	-63.2	-46.6	176.3	-168.7	-176	113.4	0	0	112	R576 A577 S578 F582 G584 V586 Y653	R576-E580 PolarHBondContact O-N 3.23Å; A577-E580 PolarHBondContact O-N 3.34Å; S578-E580 VanDerWaalsContact C-N 3.29Å; S578-E580 PolarHBondContact O-N 2.85Å; E580-F582 VanDerWaalsContact C-N 3.33Å; E580-F582 PolarHBondContact O-N 2.89Å; E580-G584 WeakPolarHBondContact O-CA 3.31Å; E580-G584 PolarHBondContact O-N 3.21Å; E580-V586 HydrophobicContact CB-CG1 4.26Å; E580-Y653 PolarHBondContact OE2-OH 3.02Å
581	V	95.4	Very high	92.9	Very high	22 Å²	22	40.5 Å²	40.5	13%	0.133	25%	0.25	C	S	.	.	H	α-helix	trans	-67.7	-28.5	-176.9	169.8	0	0	0	0	113.6	A577 S578 L657 L660 R661 K664	A577-V581 VanDerWaalsContact O-CG2 3.27Å; A577-V581 WeakPolarHBondContact O-CG2 3.37Å; A577-V581 PolarHBondContact O-N 3.31Å; A577-V581 VanDerWaalsContact O-N 3.12Å; S578-V581 PolarHBondContact O-N 2.65Å; S578-V581 VanDerWaalsContact O-N 3.15Å; V581-L657 HydrophobicContact CG2-CD2 3.73Å; V581-L660 HydrophobicContact CG2-CB 4.48Å; V581-R661 HydrophobicContact CG1-CG 4.42Å; V581-R661 HydrophobicContact CG2-CG 4.1Å; V581-K664 HydrophobicContact CG1-CD 4.06Å; V581-K664 HydrophobicContact CG1-CG 4.35Å; V581-K664 PolarHBondContact O-NZ 3.48Å
582	F	95.1	Very high	92.6	Very high	45 Å²	45	45.6 Å²	45.6	20%	0.197	28%	0.278	C	S	.	.	H	α-helix	trans	-103.2	-37.1	-177.3	-77.2	-82.3	0	0	0	114.8	Y517 S578 E580 K664 V667 D668	Y517-F582 HydrophobicContact CD1-CB 4Å; Y517-F582 AromaticContact CD1-CD1 3.7Å; Y517-F582 HydrophobicContact CD1-CD1 3.7Å; Y517-F582 AromaticContact CD1-CD2 3.68Å; Y517-F582 HydrophobicContact CD1-CD2 3.68Å; Y517-F582 HydrophobicContact CD1-CE1 4.02Å; Y517-F582 HydrophobicContact CD1-CE2 4.02Å; Y517-F582 AromaticContact CD1-CG 3.5Å; Y517-F582 HydrophobicContact CD1-CG 3.5Å; Y517-F582 VanDerWaalsContact CD1-CG 3.5Å; Y517-F582 HydrophobicContact CD1-CZ 4.15Å; Y517-F582 HydrophobicContact CE1-CB 4.38Å; Y517-F582 AromaticContact CE1-CD1 3.4Å; Y517-F582 HydrophobicContact CE1-CD1 3.4Å; Y517-F582 HydrophobicContact CE1-CD2 4.23Å; Y517-F582 AromaticContact CE1-CE1 3.56Å; Y517-F582 HydrophobicContact CE1-CE1 3.56Å; Y517-F582 HydrophobicContact CE1-CE2 4.37Å; Y517-F582 AromaticContact CE1-CG 3.74Å; Y517-F582 HydrophobicContact CE1-CG 3.74Å; Y517-F582 HydrophobicContact CE1-CZ 4.04Å; Y517-F582 HydrophobicContact CG-CG 4.47Å; S578-F582 WeakPolarHBondContact O-CD2 3.32Å; S578-F582 PolarHBondContact O-N 3.47Å; E580-F582 VanDerWaalsContact C-N 3.33Å; E580-F582 PolarHBondContact O-N 2.89Å; F582-K664 HydrophobicContact CE1-CD 4.36Å; F582-K664 HydrophobicContact CE1-CG 3.77Å; F582-K664 HydrophobicContact CE2-CG 4.13Å; F582-K664 HydrophobicContact CZ-CB 4.46Å; F582-K664 HydrophobicContact CZ-CD 4.37Å; F582-K664 HydrophobicContact CZ-CG 3.43Å; F582-K664 VanDerWaalsContact CZ-CG 3.43Å; F582-K664 WeakPolarHBondContact CZ-O 3.46Å; F582-V667 HydrophobicContact CD2-CG1 4.41Å; F582-V667 HydrophobicContact CE2-CB 3.77Å; F582-V667 HydrophobicContact CE2-CG1 3.55Å; F582-V667 HydrophobicContact CE2-CG2 4.47Å; F582-V667 HydrophobicContact CZ-CB 3.85Å; F582-V667 HydrophobicContact CZ-CG1 4.01Å; F582-D668 HydrophobicContact CE1-CB 4.01Å; F582-D668 HydrophobicContact CZ-CB 4.23Å
583	F	93.6	Very high	92.5	Very high	58 Å²	58	46.9 Å²	46.9	25%	0.254	28%	0.284	S	S	.	.	H	α-helix	trans	-111.1	-14.7	-176.3	-51.9	-65.9	0	0	0	114.1	K513 T514 Y517 E579 K585	K513-F583 HydrophobicContact CD-CE1 4.46Å; K513-F583 HydrophobicContact CG-CE1 4.38Å; K513-F583 HydrophobicContact CG-CZ 4.24Å; T514-F583 HydrophobicContact CG2-CE2 4.17Å; Y517-F583 HydrophobicContact CD2-CE2 4.44Å; Y517-F583 AromaticContact CD2-CZ 3.73Å; Y517-F583 HydrophobicContact CD2-CZ 3.73Å; Y517-F583 HydrophobicContact CE2-CZ 4.41Å; Y517-F583 HydrophobicContact CG-CE2 4.27Å; Y517-F583 AromaticContact CG-CZ 3.96Å; Y517-F583 HydrophobicContact CG-CZ 3.96Å; E579-F583 HydrophobicContact CB-CD2 4.33Å; E579-F583 WeakPolarHBondContact O-CA 3.34Å; E579-F583 WeakPolarHBondContact O-CB 3.46Å; E579-F583 PolarHBondContact O-N 2.75Å; F583-K585 HydrophobicContact CB-CD 4.47Å; F583-K585 HydrophobicContact CB-CG 3.66Å; F583-K585 PolarHBondContact O-N 3.19Å; F583-K585 VanDerWaalsContact O-N 3.16Å
584	G	91.7	Very high	92.4	Very high	68 Å²	68	49.1 Å²	49.1	70%	0.701	30%	0.295	S	S	*	.	S	Bend	trans	65.1	11.1	-173.1	0	0	0	0	0	114.2	E579 E580	E579-G584 PolarHBondContact O-N 2.63Å; E580-G584 WeakPolarHBondContact O-CA 3.31Å; E580-G584 PolarHBondContact O-N 3.21Å
585	K	91.2	Very high	92.3	Very high	126 Å²	126	52.9 Å²	52.9	55%	0.548	31%	0.313	S	S	.	.			trans	-138.4	145.4	179.7	58.1	177.8	178.8	175.4	0	108.7	E579 F583	E579-K585 CarbonylContact C-O 3.58Å; F583-K585 HydrophobicContact CB-CD 4.47Å; F583-K585 HydrophobicContact CB-CG 3.66Å; F583-K585 PolarHBondContact O-N 3.19Å; F583-K585 VanDerWaalsContact O-N 3.16Å
586	V	90.9	Very high	92.1	Very high	64 Å²	64	59.5 Å²	59.5	39%	0.388	34%	0.338	S	S	.	.			trans	-112	138.1	178.7	-65.8	0	0	0	0	110.4	R576 E579 E580	R576-V586 HydrophobicContact CG-CB 4.35Å; R576-V586 HydrophobicContact CG-CG1 3.91Å; E579-V586 WeakPolarHBondContact OE2-CA 3.4Å; E580-V586 HydrophobicContact CB-CG1 4.26Å
587	G	85.7	Confident	92.2	Very high	40 Å²	40	55.6 Å²	55.6	41%	0.412	32%	0.323	S	S	.	.			trans	-89	172.4	178.4	0	0	0	0	0	113.4	E579 G589	E579-G587 PolarHBondContact OE2-N 3.03Å; G587-G589 VanDerWaalsContact C-N 3.27Å
588	S	89.2	Confident	92.1	Very high	109 Å²	109	58.5 Å²	58.5	76%	0.762	34%	0.341	S	S	*	.	S	Bend	trans	-84.1	3.4	171.9	60.1	0	0	0	0	113.8	V591	S588-V591 VanDerWaalsContact O-CG2 3.32Å; S588-V591 WeakPolarHBondContact O-CG2 3.48Å
589	G	85.1	Confident	91.9	Very high	53 Å²	53	64.3 Å²	64.3	55%	0.546	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-39.5	179.8	0	0	0	0	0	112.9	G587 V591	G587-G589 VanDerWaalsContact C-N 3.27Å; G589-V591 PolarHBondContact O-N 3.19Å
590	A	88.3	Confident	91.9	Very high	3 Å²	3	64.9 Å²	64.9	3%	0.025	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	14	-175.5	0	0	0	0	0	115.7	R576 D593 L594	R576-A590 HydrophobicContact CB-CB 3.9Å; R576-A590 HydrophobicContact CG-CB 4.45Å; A590-D593 PolarHBondContact O-N 3.34Å; A590-L594 HydrophobicContact CB-CD1 4.36Å; A590-L594 WeakPolarHBondContact O-CB 3.34Å; A590-L594 WeakPolarHBondContact O-CD1 3.39Å; A590-L594 WeakPolarHBondContact O-CG 3.23Å; A590-L594 PolarHBondContact O-N 2.97Å
591	V	90.6	Very high	91.9	Very high	75 Å²	75	61.4 Å²	61.4	46%	0.455	35%	0.352	S	S	.	.	H	α-helix	trans	-64.9	-41.2	-175.8	165	0	0	0	0	111.8	S588 G589 Q595	S588-V591 VanDerWaalsContact O-CG2 3.32Å; S588-V591 WeakPolarHBondContact O-CG2 3.48Å; G589-V591 PolarHBondContact O-N 3.19Å; V591-Q595 WeakPolarHBondContact O-CG 3.27Å; V591-Q595 PolarHBondContact O-N 3.06Å
592	D	89	Confident	91.9	Very high	120 Å²	120	63.7 Å²	63.7	64%	0.642	36%	0.358	S	S	*	.	H	α-helix	trans	-71.9	-36.2	-179.3	-71.1	-20.9	0	0	0	111.2	Q595 R596	D592-Q595 WeakPolarHBondContact O-CB 3.47Å; D592-Q595 PolarHBondContact O-N 3.23Å; D592-R596 PolarHBondContact O-N 3.09Å
593	D	92.8	Very high	91.7	Very high	35 Å²	35	62.4 Å²	62.4	19%	0.187	36%	0.356	C	S	.	.	H	α-helix	trans	-64.2	-46.8	172.8	-56.6	-70.6	0	0	0	112.4	H518 H522 A572 A590 Q595 R596 V597	H518-D593 IonicContact NE2-OD2 2.67Å; H522-D593 IonicContact CE1-OD1 3.87Å; A572-D593 HydrophobicContact CB-CB 4.4Å; A572-D593 VanDerWaalsContact O-CB 3.32Å; A572-D593 WeakPolarHBondContact O-CB 3.2Å; A590-D593 PolarHBondContact O-N 3.34Å; D593-Q595 VanDerWaalsContact C-N 3.25Å; D593-Q595 PolarHBondContact O-N 2.85Å; D593-R596 WeakPolarHBondContact O-CB 3.13Å; D593-R596 PolarHBondContact O-N 3.19Å; D593-V597 WeakPolarHBondContact O-CB 3.47Å; D593-V597 VanDerWaalsContact O-CG2 3.25Å; D593-V597 WeakPolarHBondContact O-CG2 3.13Å; D593-V597 PolarHBondContact O-N 3.08Å
594	L	94.2	Very high	91.8	Very high	51 Å²	51	59.7 Å²	59.7	27%	0.267	34%	0.344	S	S	.	.	H	α-helix	trans	-61.1	-37.3	176.6	-68.9	164.7	0	0	0	110.9	L573 R576 A590 T598	L573-L594 HydrophobicContact CD2-CD2 4.24Å; R576-L594 VanDerWaalsContact NH1-CD1 3.31Å; A590-L594 HydrophobicContact CB-CD1 4.36Å; A590-L594 WeakPolarHBondContact O-CB 3.34Å; A590-L594 WeakPolarHBondContact O-CD1 3.39Å; A590-L594 WeakPolarHBondContact O-CG 3.23Å; A590-L594 PolarHBondContact O-N 2.97Å; L594-T598 VanDerWaalsContact O-CB 3.23Å; L594-T598 WeakPolarHBondContact O-CB 3.31Å; L594-T598 PolarHBondContact O-N 2.66Å; L594-T598 PolarHBondContact O-OG1 3.42Å
595	Q	92.5	Very high	91.9	Very high	79 Å²	79	56.7 Å²	56.7	37%	0.369	31%	0.312	S	S	.	.	H	α-helix	trans	-63.3	-43.6	171.7	-75.8	-177.2	49.9	0	0	112	V591 D592 D593 T598 R599	V591-Q595 WeakPolarHBondContact O-CG 3.27Å; V591-Q595 PolarHBondContact O-N 3.06Å; D592-Q595 WeakPolarHBondContact O-CB 3.47Å; D592-Q595 PolarHBondContact O-N 3.23Å; D593-Q595 VanDerWaalsContact C-N 3.25Å; D593-Q595 PolarHBondContact O-N 2.85Å; Q595-T598 PolarHBondContact O-N 2.87Å; Q595-R599 WeakPolarHBondContact O-CB 3.42Å; Q595-R599 WeakPolarHBondContact O-CG 3.42Å; Q595-R599 PolarHBondContact O-N 3.24Å
596	R	91.7	Very high	92	Very high	139 Å²	139	50.8 Å²	50.8	53%	0.525	29%	0.286	S	S	.	.	H	α-helix	trans	-63.1	-47	178.3	-175.4	178.6	179.9	170.6	0.3	112.1	D592 D593 R599 S600	D592-R596 PolarHBondContact O-N 3.09Å; D593-R596 WeakPolarHBondContact O-CB 3.13Å; D593-R596 PolarHBondContact O-N 3.19Å; R596-R599 PolarHBondContact O-N 2.69Å; R596-S600 WeakPolarHBondContact O-CB 3.33Å; R596-S600 PolarHBondContact O-N 3.01Å
597	V	96.2	Very high	92	Very high	2 Å²	2	51.3 Å²	51.3	1%	0.012	29%	0.285	C	S	.	.	H	α-helix	trans	-57.8	-47.7	174.2	172.5	0	0	0	0	110.6	M569 A572 L573 D593 S600 A601 V649	M569-V597 HydrophobicContact CE-CG1 3.83Å; A572-V597 HydrophobicContact CB-CG2 3.52Å; L573-V597 HydrophobicContact CD1-CG1 4.3Å; L573-V597 HydrophobicContact CD2-CG1 4.19Å; L573-V597 HydrophobicContact CD2-CG2 3.94Å; L573-V597 HydrophobicContact CG-CG1 4.27Å; L573-V597 HydrophobicContact CG-CG2 3.82Å; D593-V597 WeakPolarHBondContact O-CB 3.47Å; D593-V597 VanDerWaalsContact O-CG2 3.25Å; D593-V597 WeakPolarHBondContact O-CG2 3.13Å; D593-V597 PolarHBondContact O-N 3.08Å; V597-S600 PolarHBondContact O-N 3.36Å; V597-A601 WeakPolarHBondContact O-CB 3.48Å; V597-A601 PolarHBondContact O-N 3.49Å; V597-V649 HydrophobicContact CG1-CB 4.47Å; V597-V649 HydrophobicContact CG1-CG1 3.94Å; V597-V649 HydrophobicContact CG1-CG2 3.86Å
598	T	94.8	Very high	92.3	Very high	60 Å²	60	53.5 Å²	53.5	37%	0.368	29%	0.287	S	S	.	.	H	α-helix	trans	-60	-49.2	178.3	-58	0	0	0	0	111.4	L594 Q595 S600 A601 Y602	L594-T598 VanDerWaalsContact O-CB 3.23Å; L594-T598 WeakPolarHBondContact O-CB 3.31Å; L594-T598 PolarHBondContact O-N 2.66Å; L594-T598 PolarHBondContact O-OG1 3.42Å; Q595-T598 PolarHBondContact O-N 2.87Å; T598-S600 VanDerWaalsContact C-N 3.35Å; T598-S600 PolarHBondContact O-N 2.69Å; T598-A601 PolarHBondContact O-N 3.25Å; T598-Y602 HydrophobicContact CG2-CD2 3.68Å; T598-Y602 HydrophobicContact CG2-CE2 3.52Å; T598-Y602 VanDerWaalsContact O-CD2 3.27Å; T598-Y602 WeakPolarHBondContact O-CD2 3.46Å; T598-Y602 PolarHBondContact O-N 3.12Å
599	R	93	Very high	92.5	Very high	123 Å²	123	48.8 Å²	48.8	46%	0.464	26%	0.255	S	S	.	.	H	α-helix	trans	-60.1	-42.7	177.8	-69	170.1	-158.9	-149.4	5.7	111.9	Q595 R596 A603 Q624	Q595-R599 WeakPolarHBondContact O-CB 3.42Å; Q595-R599 WeakPolarHBondContact O-CG 3.42Å; Q595-R599 PolarHBondContact O-N 3.24Å; R596-R599 PolarHBondContact O-N 2.69Å; R599-A603 WeakPolarHBondContact O-CB 3.44Å; R599-A603 PolarHBondContact O-N 3.35Å; R599-Q624 VanDerWaalsContact NH2-OE1 3.1Å
600	S	93.9	Very high	92.8	Very high	18 Å²	18	49.1 Å²	49.1	13%	0.126	24%	0.241	C	C	.	.	H	α-helix	trans	-61.7	-45.1	175.9	-177	0	0	0	0	112	R596 V597 T598 A603 Q604	R596-S600 WeakPolarHBondContact O-CB 3.33Å; R596-S600 PolarHBondContact O-N 3.01Å; V597-S600 PolarHBondContact O-N 3.36Å; T598-S600 VanDerWaalsContact C-N 3.35Å; T598-S600 PolarHBondContact O-N 2.69Å; S600-A603 PolarHBondContact O-N 2.91Å; S600-Q604 WeakPolarHBondContact O-CG 3.39Å; S600-Q604 PolarHBondContact O-N 3.17Å; S600-Q604 PolarHBondContact OG-NE2 2.73Å
601	A	95.6	Very high	93	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-63.3	-44.5	178.8	0	0	0	0	0	112.5	M569 V597 T598 Q604 I605 V645 L648 V649	M569-A601 HydrophobicContact CE-CB 3.92Å; V597-A601 WeakPolarHBondContact O-CB 3.48Å; V597-A601 PolarHBondContact O-N 3.49Å; T598-A601 PolarHBondContact O-N 3.25Å; A601-Q604 PolarHBondContact O-N 3.1Å; A601-I605 WeakPolarHBondContact O-CG1 3.25Å; A601-I605 PolarHBondContact O-N 3.48Å; A601-V645 HydrophobicContact CB-CG1 3.96Å; A601-V645 HydrophobicContact CB-CG2 4.4Å; A601-L648 HydrophobicContact CB-CD2 4.06Å; A601-V649 HydrophobicContact CB-CG2 3.9Å
602	Y	94	Very high	93	Very high	69 Å²	69	51.5 Å²	51.5	27%	0.271	26%	0.261	S	S	.	.	H	α-helix	trans	-63	-42.7	173.7	-81.5	-73.8	0	0	0	112	T598 Q604 I605 V606 I641 D642 V645	T598-Y602 HydrophobicContact CG2-CD2 3.68Å; T598-Y602 HydrophobicContact CG2-CE2 3.52Å; T598-Y602 VanDerWaalsContact O-CD2 3.27Å; T598-Y602 WeakPolarHBondContact O-CD2 3.46Å; T598-Y602 PolarHBondContact O-N 3.12Å; Y602-Q604 PolarHBondContact O-N 3.02Å; Y602-I605 PolarHBondContact O-N 3.3Å; Y602-V606 HydrophobicContact CD1-CG2 4.18Å; Y602-V606 VanDerWaalsContact O-CB 3.22Å; Y602-V606 WeakPolarHBondContact O-CB 3.47Å; Y602-V606 WeakPolarHBondContact O-CG2 3.23Å; Y602-V606 PolarHBondContact O-N 3.29Å; Y602-I641 HydrophobicContact CD1-CG2 3.81Å; Y602-I641 HydrophobicContact CE1-CG2 3.74Å; Y602-D642 PolarHBondContact OH-OD1 2.81Å; Y602-V645 HydrophobicContact CD1-CG2 3.87Å; Y602-V645 HydrophobicContact CD2-CG2 4.46Å; Y602-V645 HydrophobicContact CE1-CG2 3.96Å; Y602-V645 HydrophobicContact CE2-CG1 4.27Å; Y602-V645 HydrophobicContact CG-CG2 4.13Å
603	A	92.7	Very high	93.2	Very high	19 Å²	19	51.1 Å²	51.1	16%	0.157	25%	0.254	C	S	.	.	I	π-helix	trans	-60.2	-44.8	177.2	0	0	0	0	0	112	R599 S600 I605 Q607 L608	R599-A603 WeakPolarHBondContact O-CB 3.44Å; R599-A603 PolarHBondContact O-N 3.35Å; S600-A603 PolarHBondContact O-N 2.91Å; A603-I605 VanDerWaalsContact C-N 3.29Å; A603-I605 PolarHBondContact O-N 2.78Å; A603-Q607 WeakPolarHBondContact O-CA 3.39Å; A603-Q607 WeakPolarHBondContact O-CB 3.47Å; A603-Q607 PolarHBondContact O-N 3.43Å; A603-L608 PolarHBondContact O-N 2.87Å
604	Q	94.2	Very high	93.1	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.005	25%	0.25	C	C	.	.	I	π-helix	trans	-59.2	-37.9	177	-73.7	177.9	60.8	0	0	113.3	M565 M569 S600 A601 Y602 G609 F610 L648	M565-Q604 HydrophobicContact CB-CG 4.29Å; M565-Q604 HydrophobicContact CE-CG 3.54Å; M565-Q604 HydrophobicContact SD-CG 3.7Å; M569-Q604 PolarHBondContact SD-NE2 3.01Å; S600-Q604 WeakPolarHBondContact O-CG 3.39Å; S600-Q604 PolarHBondContact O-N 3.17Å; S600-Q604 PolarHBondContact OG-NE2 2.73Å; A601-Q604 PolarHBondContact O-N 3.1Å; Y602-Q604 PolarHBondContact O-N 3.02Å; Q604-G609 PolarHBondContact O-N 3.02Å; Q604-F610 HydrophobicContact CB-CB 4.39Å; Q604-F610 HydrophobicContact CB-CD2 3.92Å; Q604-F610 HydrophobicContact CG-CD2 3.77Å; Q604-F610 HydrophobicContact CG-CE2 4.22Å; Q604-F610 WeakPolarHBondContact O-CB 3.21Å; Q604-F610 PolarHBondContact O-N 3.08Å; Q604-L648 HydrophobicContact CB-CD2 4.35Å
605	I	94.2	Very high	93	Very high	5 Å²	5	49 Å²	49	3%	0.026	25%	0.249	C	C	.	.	I	π-helix	trans	-91.3	-36.4	-173	-67.6	168.3	0	0	0	112.3	A601 Y602 A603 V614 I641 E644 V645 L648	A601-I605 WeakPolarHBondContact O-CG1 3.25Å; A601-I605 PolarHBondContact O-N 3.48Å; Y602-I605 PolarHBondContact O-N 3.3Å; A603-I605 VanDerWaalsContact C-N 3.29Å; A603-I605 PolarHBondContact O-N 2.78Å; I605-V614 HydrophobicContact CG2-CG2 3.79Å; I605-I641 HydrophobicContact CG2-CB 4.45Å; I605-I641 HydrophobicContact CG2-CG1 4.23Å; I605-I641 HydrophobicContact CG2-CG2 4.12Å; I605-E644 VanDerWaalsContact CD1-C 3.45Å; I605-E644 HydrophobicContact CD1-CB 3.85Å; I605-V645 HydrophobicContact CD1-CB 4.24Å; I605-V645 HydrophobicContact CD1-CG2 3.62Å; I605-V645 VanDerWaalsContact CD1-N 3.31Å; I605-L648 HydrophobicContact CD1-CD2 4.23Å
606	V	92.7	Very high	92.9	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.006	27%	0.274	C	S	.	.	I	π-helix	trans	-100.2	-32.7	-170.9	-177	0	0	0	0	112.8	Y602 S618 F619 L621 Y633 I641	Y602-V606 HydrophobicContact CD1-CG2 4.18Å; Y602-V606 VanDerWaalsContact O-CB 3.22Å; Y602-V606 WeakPolarHBondContact O-CB 3.47Å; Y602-V606 WeakPolarHBondContact O-CG2 3.23Å; Y602-V606 PolarHBondContact O-N 3.29Å; V606-S618 CarbonylContact O-C 3.59Å; V606-S618 WeakPolarHBondContact O-CA 3.36Å; V606-F619 HydrophobicContact CG1-CB 3.82Å; V606-F619 HydrophobicContact CG1-CD2 4.13Å; V606-F619 HydrophobicContact CG1-CG 4.47Å; V606-F619 PolarHBondContact O-N 2.73Å; V606-L621 HydrophobicContact CB-CD1 4.25Å; V606-L621 HydrophobicContact CB-CD2 4.28Å; V606-L621 HydrophobicContact CB-CG 4.23Å; V606-L621 HydrophobicContact CG1-CD2 3.96Å; V606-L621 HydrophobicContact CG1-CG 3.97Å; V606-Y633 HydrophobicContact CG1-CE1 4.24Å; V606-I641 HydrophobicContact CG2-CD1 4Å; V606-I641 HydrophobicContact CG2-CG1 4.23Å; V606-I641 HydrophobicContact CG2-CG2 3.6Å
607	Q	91.7	Very high	92.9	Very high	76 Å²	76	51.2 Å²	51.2	36%	0.355	27%	0.273	S	S	.	.	I	π-helix	trans	-104.4	-39.4	-179.3	-74.4	177.2	-41.2	0	0	113.2	A603 S618 F619 L621	A603-Q607 WeakPolarHBondContact O-CA 3.39Å; A603-Q607 WeakPolarHBondContact O-CB 3.47Å; A603-Q607 PolarHBondContact O-N 3.43Å; Q607-S618 WeakPolarHBondContact O-CB 3.44Å; Q607-S618 PolarHBondContact O-OG 3.05Å; Q607-F619 WeakPolarHBondContact CG-O 3.25Å; Q607-L621 HydrophobicContact CG-CD1 3.97Å; Q607-L621 HydrophobicContact CG-CG 4.17Å
608	L	92.4	Very high	92.6	Very high	86 Å²	86	55.3 Å²	55.3	45%	0.45	30%	0.301	S	S	.	.	S	Bend	trans	-99.7	-6.7	-171.2	-55.2	177.2	0	0	0	114.8	M565 A603 F610	M565-L608 HydrophobicContact CE-CD1 3.95Å; M565-L608 HydrophobicContact SD-CD1 3.51Å; M565-L608 VanDerWaalsContact SD-CD1 3.51Å; A603-L608 PolarHBondContact O-N 2.87Å; L608-F610 HydrophobicContact CB-CD1 4.16Å; L608-F610 HydrophobicContact CB-CD2 4.41Å; L608-F610 HydrophobicContact CB-CE1 4.05Å; L608-F610 HydrophobicContact CB-CE2 4.3Å; L608-F610 HydrophobicContact CB-CG 4.34Å; L608-F610 HydrophobicContact CB-CZ 4.13Å; L608-F610 HydrophobicContact CD1-CE2 4.03Å; L608-F610 HydrophobicContact CD1-CZ 4.19Å; L608-F610 WeakPolarHBondContact O-CD1 3.49Å; L608-F610 PolarHBondContact O-N 3.48Å
609	G	92.1	Very high	92.3	Very high	9 Å²	9	54.3 Å²	54.3	9%	0.093	29%	0.292	C	S	.	.			trans	67.3	25.8	175	0	0	0	0	0	115.7	Q604 S611	Q604-G609 PolarHBondContact O-N 3.02Å; G609-S611 VanDerWaalsContact C-N 3.31Å; G609-S611 PolarHBondContact O-N 3.09Å
610	F	92.1	Very high	91.9	Very high	60 Å²	60	55.5 Å²	55.5	26%	0.263	31%	0.307	S	S	.	.			trans	-79.5	-3.1	-176.3	-67.2	-11.2	0	0	0	115.3	K562 M565 Q604 L608	K562-F610 HydrophobicContact CB-CD2 4.02Å; K562-F610 HydrophobicContact CB-CE2 4.03Å; K562-F610 HydrophobicContact CD-CB 4.26Å; K562-F610 HydrophobicContact CD-CD2 4.46Å; K562-F610 HydrophobicContact CD-CG 4.42Å; K562-F610 HydrophobicContact CG-CD2 4.03Å; K562-F610 HydrophobicContact CG-CG 4.48Å; K562-F610 PolarHBondContact NZ-O 2.92Å; M565-F610 HydrophobicContact SD-CE2 3.91Å; Q604-F610 HydrophobicContact CB-CB 4.39Å; Q604-F610 HydrophobicContact CB-CD2 3.92Å; Q604-F610 HydrophobicContact CG-CD2 3.77Å; Q604-F610 HydrophobicContact CG-CE2 4.22Å; Q604-F610 WeakPolarHBondContact O-CB 3.21Å; Q604-F610 PolarHBondContact O-N 3.08Å; L608-F610 HydrophobicContact CB-CD1 4.16Å; L608-F610 HydrophobicContact CB-CD2 4.41Å; L608-F610 HydrophobicContact CB-CE1 4.05Å; L608-F610 HydrophobicContact CB-CE2 4.3Å; L608-F610 HydrophobicContact CB-CG 4.34Å; L608-F610 HydrophobicContact CB-CZ 4.13Å; L608-F610 HydrophobicContact CD1-CE2 4.03Å; L608-F610 HydrophobicContact CD1-CZ 4.19Å; L608-F610 WeakPolarHBondContact O-CD1 3.49Å; L608-F610 PolarHBondContact O-N 3.48Å
611	S	92	Very high	91.1	Very high	8 Å²	8	56.8 Å²	56.8	6%	0.056	31%	0.313	C	S	.	.			trans	-97	127.5	171.4	173.9	0	0	0	0	111	G609 K613 G615 E644	G609-S611 VanDerWaalsContact C-N 3.31Å; G609-S611 PolarHBondContact O-N 3.09Å; S611-K613 PolarHBondContact O-N 3.36Å; S611-K613 PolarHBondContact OG-N 3.29Å; S611-G615 PolarHBondContact O-N 2.88Å; S611-E644 PolarHBondContact OG-OE2 3.08Å
612	S	90.7	Very high	90.1	Very high	120 Å²	120	60.1 Å²	60.1	84%	0.839	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-21.8	174.7	51.3	0	0	0	0	113.7
613	K	93.5	Very high	88.9	Confident	112 Å²	112	64 Å²	64	49%	0.487	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-39.6	177.9	-71.2	-156.6	-173.2	-171.8	0	113.4	S611 I640 E643 E644	S611-K613 PolarHBondContact O-N 3.36Å; S611-K613 PolarHBondContact OG-N 3.29Å; K613-I640 HydrophobicContact CB-CG2 3.92Å; K613-I640 HydrophobicContact CD-CG2 4.23Å; K613-E643 IonicContact NZ-OE2 3.67Å; K613-E643 PolarHBondContact NZ-OE2 3.5Å; K613-E644 HydrophobicContact CB-CG 4.22Å; K613-E644 HydrophobicContact CD-CG 4.11Å; K613-E644 VanDerWaalsContact CD-OE1 3.32Å; K613-E644 WeakPolarHBondContact CD-OE1 3.22Å; K613-E644 WeakPolarHBondContact CE-OE1 3Å; K613-E644 HydrophobicContact CG-CG 4.41Å; K613-E644 IonicContact NZ-OE1 2.82Å
614	V	92	Very high	87.6	Confident	18 Å²	18	70.9 Å²	70.9	11%	0.109	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-32.2	176.1	-179.4	0	0	0	0	110.1	I605 I640 I641	I605-V614 HydrophobicContact CG2-CG2 3.79Å; V614-I640 HydrophobicContact CG2-CG2 4.06Å; V614-I641 HydrophobicContact CG2-CG1 3.96Å
615	G	90.1	Very high	86.2	Confident	25 Å²	25	74.5 Å²	74.5	26%	0.258	42%	0.421	S	S	.	.			trans	83.3	-169.2	-179.9	0	0	0	0	0	112.7	S611 L617	S611-G615 PolarHBondContact O-N 2.88Å; G615-L617 PolarHBondContact O-N 3.36Å
616	L	92.4	Very high	85	Confident	170 Å²	170	78.7 Å²	78.7	89%	0.89	44%	0.444	S	S	*	.	S	Bend	trans	-81.4	52.1	-177.4	-57	176.4	0	0	0	111.6
617	L	90.6	Very high	83.6	Confident	94 Å²	94	87 Å²	87	49%	0.492	48%	0.484	S	S	.	.			trans	-105.3	149.3	176.7	-62.2	178.4	0	0	0	110.2	G615 F619	G615-L617 PolarHBondContact O-N 3.36Å; L617-F619 HydrophobicContact CB-CE2 4Å; L617-F619 HydrophobicContact CB-CZ 4.29Å; L617-F619 HydrophobicContact CD1-CE2 4.35Å; L617-F619 HydrophobicContact CD1-CZ 4.11Å
618	S	90.8	Very high	82.4	Confident	87 Å²	87	87.7 Å²	87.7	61%	0.608	49%	0.494	S	S	*	.			trans	-129	129.8	174.6	-162.5	0	0	0	0	109.2	V606 Q607	V606-S618 CarbonylContact O-C 3.59Å; V606-S618 WeakPolarHBondContact O-CA 3.36Å; Q607-S618 WeakPolarHBondContact O-CB 3.44Å; Q607-S618 PolarHBondContact O-OG 3.05Å
619	F	88.7	Confident	81.2	Confident	40 Å²	40	91.1 Å²	91.1	18%	0.175	51%	0.512	C	S	.	.			trans	-126.4	140.5	174.4	-54.5	-82.5	0	0	0	109.7	V606 Q607 L617 L621 P632 Y633	V606-F619 HydrophobicContact CG1-CB 3.82Å; V606-F619 HydrophobicContact CG1-CD2 4.13Å; V606-F619 HydrophobicContact CG1-CG 4.47Å; V606-F619 PolarHBondContact O-N 2.73Å; Q607-F619 WeakPolarHBondContact CG-O 3.25Å; L617-F619 HydrophobicContact CB-CE2 4Å; L617-F619 HydrophobicContact CB-CZ 4.29Å; L617-F619 HydrophobicContact CD1-CE2 4.35Å; L617-F619 HydrophobicContact CD1-CZ 4.11Å; F619-L621 PolarHBondContact O-N 2.89Å; F619-L621 VanDerWaalsContact O-N 3.11Å; F619-P632 HydrophobicContact CB-CG 4.01Å; F619-P632 HydrophobicContact CD1-CB 4.27Å; F619-P632 HydrophobicContact CD1-CG 4.04Å; F619-P632 HydrophobicContact CG-CG 4.36Å; F619-Y633 HydrophobicContact CB-CD1 4.2Å; F619-Y633 HydrophobicContact CB-CE1 4.3Å; F619-Y633 AromaticContact CD1-CD1 3.97Å; F619-Y633 HydrophobicContact CD1-CD1 3.97Å; F619-Y633 AromaticContact CD2-CD1 3.84Å; F619-Y633 HydrophobicContact CD2-CD1 3.84Å; F619-Y633 HydrophobicContact CD2-CE1 4.35Å; F619-Y633 HydrophobicContact CE1-CD1 4.25Å; F619-Y633 HydrophobicContact CE2-CD1 4.13Å; F619-Y633 AromaticContact CG-CD1 3.75Å; F619-Y633 HydrophobicContact CG-CD1 3.75Å; F619-Y633 HydrophobicContact CG-CE1 4.29Å; F619-Y633 HydrophobicContact CZ-CD1 4.32Å
620	D	83.7	Confident	80.4	Confident	147 Å²	147	96.3 Å²	96.3	79%	0.786	54%	0.542	S	S	*	.			trans	-65.2	112.8	175.1	-69.6	-38.9	0	0	0	110.6
621	L	76.7	Confident	80	Confident	46 Å²	46	97.9 Å²	97.9	24%	0.241	55%	0.548	C	S	.	.	P	Polyproline II helix	trans	-74.6	133.4	167.9	-78.3	168.3	0	0	0	109.1	V606 Q607 F619 Q623	V606-L621 HydrophobicContact CB-CD1 4.25Å; V606-L621 HydrophobicContact CB-CD2 4.28Å; V606-L621 HydrophobicContact CB-CG 4.23Å; V606-L621 HydrophobicContact CG1-CD2 3.96Å; V606-L621 HydrophobicContact CG1-CG 3.97Å; Q607-L621 HydrophobicContact CG-CD1 3.97Å; Q607-L621 HydrophobicContact CG-CG 4.17Å; F619-L621 PolarHBondContact O-N 2.89Å; F619-L621 VanDerWaalsContact O-N 3.11Å; L621-Q623 PolarHBondContact O-N 2.76Å
622	P	74.1	Confident	79.8	Confident	69 Å²	69	101.6 Å²	101.6	45%	0.448	57%	0.572	S	S	.	*	P	Polyproline II helix	trans	-64.2	136	176.7	28.3	-35.2	0	0	0	110.3	D626 V628	P622-D626 HydrophobicContact CB-CB 4.33Å; P622-V628 HydrophobicContact CB-CG2 3.6Å; P622-V628 HydrophobicContact CG-CG2 3.5Å; P622-V628 VanDerWaalsContact CG-CG2 3.5Å
623	Q	68.8	Low	79.7	Confident	151 Å²	151	98.1 Å²	98.1	71%	0.706	54%	0.541	S	S	*	.	P	Polyproline II helix	trans	-78.4	163.7	178.3	-59.7	-168.7	36	0	0	110.9	L621 G625 D626	L621-Q623 PolarHBondContact O-N 2.76Å; Q623-G625 PolarHBondContact O-N 2.9Å; Q623-D626 WeakPolarHBondContact CB-OD2 3.36Å; Q623-D626 PolarHBondContact N-OD2 2.83Å; Q623-D626 PolarHBondContact O-N 2.93Å
624	Q	65.4	Low	79.7	Confident	163 Å²	163	95.8 Å²	95.8	76%	0.762	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	90.9	-178.3	-173.7	176.2	-14.8	0	0	110.8	R599	R599-Q624 VanDerWaalsContact NH2-OE1 3.1Å
625	G	65.9	Low	79.7	Confident	77 Å²	77	100.3 Å²	100.3	79%	0.794	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	140.7	-19.4	-176.2	0	0	0	0	0	113.6	Q623	Q623-G625 PolarHBondContact O-N 2.9Å
626	D	68.4	Low	79.9	Confident	94 Å²	94	105 Å²	105	50%	0.503	57%	0.574	S	S	.	*			trans	-77.8	133.7	179.5	-64.4	-35.7	0	0	0	111.6	P622 Q623 V628	P622-D626 HydrophobicContact CB-CB 4.33Å; Q623-D626 WeakPolarHBondContact CB-OD2 3.36Å; Q623-D626 PolarHBondContact N-OD2 2.83Å; Q623-D626 PolarHBondContact O-N 2.93Å; D626-V628 PolarHBondContact O-N 2.77Å
627	M	63.2	Low	79.9	Confident	174 Å²	174	98.7 Å²	98.7	86%	0.857	54%	0.542	S	S	*	.			trans	-76.7	106.9	171	-76.3	-172.9	66	0	0	110.1	L629	M627-L629 PolarHBondContact O-N 2.79Å
628	V	66.9	Low	80	Confident	91 Å²	91	94.4 Å²	94.4	55%	0.552	52%	0.521	S	S	*	.			trans	-66.9	98.6	173.1	-164.9	0	0	0	0	109.5	P622 D626	P622-V628 HydrophobicContact CB-CG2 3.6Å; P622-V628 HydrophobicContact CG-CG2 3.5Å; P622-V628 VanDerWaalsContact CG-CG2 3.5Å; D626-V628 PolarHBondContact O-N 2.77Å
629	L	66.3	Low	80.2	Confident	159 Å²	159	96.1 Å²	96.1	83%	0.832	52%	0.519	S	S	*	.			trans	-74.8	-40.3	177.4	-150.5	78.5	0	0	0	111.4	M627	M627-L629 PolarHBondContact O-N 2.79Å
630	T	75.7	Confident	80.5	Confident	117 Å²	117	96.1 Å²	96.1	72%	0.718	52%	0.52	S	S	*	.	S	Bend	trans	-154.2	143.5	179.9	50.3	0	0	0	0	110.2
631	K	83.8	Confident	81	Confident	93 Å²	93	89.1 Å²	89.1	40%	0.404	48%	0.483	S	S	.	.			trans	-71.9	145.1	168.7	-56.8	173.1	-169.4	164.8	0	109.7	Y633 E635	K631-Y633 HydrophobicContact CB-CD2 4.34Å; K631-Y633 HydrophobicContact CB-CE2 4.16Å; K631-Y633 HydrophobicContact CD-CE2 3.94Å; K631-Y633 HydrophobicContact CG-CE2 4.44Å; K631-Y633 PolarHBondContact O-N 2.89Å; K631-E635 WeakPolarHBondContact CD-OE1 3.45Å; K631-E635 WeakPolarHBondContact CE-OE1 3.5Å; K631-E635 IonicContact NZ-OE1 3.48Å; K631-E635 PolarHBondContact NZ-OE1 3.42Å; K631-E635 IonicContact NZ-OE2 2.76Å; K631-E635 PolarHBondContact NZ-OE2 2.94Å
632	P	87.2	Confident	81.9	Confident	86 Å²	86	90 Å²	90	56%	0.558	49%	0.488	S	S	*	.	S	Bend	trans	-81.2	5.7	178.3	33.2	-35.4	0	0	0	114.3	F619	F619-P632 HydrophobicContact CB-CG 4.01Å; F619-P632 HydrophobicContact CD1-CB 4.27Å; F619-P632 HydrophobicContact CD1-CG 4.04Å; F619-P632 HydrophobicContact CG-CG 4.36Å
633	Y	89.7	Confident	83	Confident	48 Å²	48	90.8 Å²	90.8	19%	0.188	49%	0.486	C	S	.	.	S	Bend	trans	-137.6	162.8	-177.4	47	-106	0	0	0	111.6	V606 F619 K631 T637 A638 I641	V606-Y633 HydrophobicContact CG1-CE1 4.24Å; F619-Y633 HydrophobicContact CB-CD1 4.2Å; F619-Y633 HydrophobicContact CB-CE1 4.3Å; F619-Y633 AromaticContact CD1-CD1 3.97Å; F619-Y633 HydrophobicContact CD1-CD1 3.97Å; F619-Y633 AromaticContact CD2-CD1 3.84Å; F619-Y633 HydrophobicContact CD2-CD1 3.84Å; F619-Y633 HydrophobicContact CD2-CE1 4.35Å; F619-Y633 HydrophobicContact CE1-CD1 4.25Å; F619-Y633 HydrophobicContact CE2-CD1 4.13Å; F619-Y633 AromaticContact CG-CD1 3.75Å; F619-Y633 HydrophobicContact CG-CD1 3.75Å; F619-Y633 HydrophobicContact CG-CE1 4.29Å; F619-Y633 HydrophobicContact CZ-CD1 4.32Å; K631-Y633 HydrophobicContact CB-CD2 4.34Å; K631-Y633 HydrophobicContact CB-CE2 4.16Å; K631-Y633 HydrophobicContact CD-CE2 3.94Å; K631-Y633 HydrophobicContact CG-CE2 4.44Å; K631-Y633 PolarHBondContact O-N 2.89Å; Y633-T637 HydrophobicContact CG-CG2 4.36Å; Y633-A638 HydrophobicContact CD2-CB 4.17Å; Y633-A638 HydrophobicContact CE2-CB 3.81Å; Y633-I641 HydrophobicContact CD1-CD1 4.45Å; Y633-I641 HydrophobicContact CD2-CD1 4.25Å; Y633-I641 HydrophobicContact CE1-CD1 4.17Å; Y633-I641 HydrophobicContact CE2-CD1 3.94Å
634	S	92.6	Very high	84.3	Confident	63 Å²	63	85 Å²	85	44%	0.441	46%	0.459	S	S	.	.			trans	-67.1	156.5	-178.8	80.1	0	0	0	0	112.9	H636 T637 A638	S634-H636 PolarHBondContact O-N 2.98Å; S634-H636 PolarHBondContact OG-N 3.33Å; S634-T637 WeakPolarHBondContact O-CA 3.48Å; S634-T637 WeakPolarHBondContact O-CB 3.35Å; S634-T637 PolarHBondContact O-N 2.71Å; S634-T637 PolarHBondContact OG-N 2.9Å; S634-T637 VanDerWaalsContact OG-N 3.08Å; S634-T637 PolarHBondContact OG-OG1 3.15Å; S634-A638 PolarHBondContact O-N 3.46Å
635	E	93.3	Very high	85.8	Confident	113 Å²	113	77.8 Å²	77.8	53%	0.528	43%	0.426	S	S	.	.	H	α-helix	trans	-62.5	-29.3	174.3	-70.2	-59.9	136.9	0	0	112.9	K631 A638 Q639	K631-E635 WeakPolarHBondContact CD-OE1 3.45Å; K631-E635 WeakPolarHBondContact CE-OE1 3.5Å; K631-E635 IonicContact NZ-OE1 3.48Å; K631-E635 PolarHBondContact NZ-OE1 3.42Å; K631-E635 IonicContact NZ-OE2 2.76Å; K631-E635 PolarHBondContact NZ-OE2 2.94Å; E635-A638 WeakPolarHBondContact O-CB 3.45Å; E635-A638 PolarHBondContact O-N 3.44Å; E635-Q639 WeakPolarHBondContact O-CG 3.49Å; E635-Q639 PolarHBondContact O-N 3.07Å
636	H	93.7	Very high	87.2	Confident	123 Å²	123	81.8 Å²	81.8	57%	0.569	42%	0.417	S	S	*	.	H	α-helix	trans	-65.6	-40.9	171.6	179.2	-97.3	0	0	0	111.6	S634 A638 Q639 I640	S634-H636 PolarHBondContact O-N 2.98Å; S634-H636 PolarHBondContact OG-N 3.33Å; H636-A638 VanDerWaalsContact C-N 3.32Å; H636-A638 PolarHBondContact O-N 3.31Å; H636-Q639 PolarHBondContact O-N 2.92Å; H636-I640 WeakPolarHBondContact O-CG1 3.4Å; H636-I640 PolarHBondContact O-N 3.03Å; H636-I640 VanDerWaalsContact O-N 3.15Å
637	T	92.7	Very high	88.6	Confident	37 Å²	37	81.8 Å²	81.8	23%	0.227	41%	0.413	C	S	.	.	H	α-helix	trans	-62.9	-40.2	172.2	-45.8	0	0	0	0	111	Y633 S634 Q639 I640 I641	Y633-T637 HydrophobicContact CG-CG2 4.36Å; S634-T637 WeakPolarHBondContact O-CA 3.48Å; S634-T637 WeakPolarHBondContact O-CB 3.35Å; S634-T637 PolarHBondContact O-N 2.71Å; S634-T637 PolarHBondContact OG-N 2.9Å; S634-T637 VanDerWaalsContact OG-N 3.08Å; S634-T637 PolarHBondContact OG-OG1 3.15Å; T637-Q639 PolarHBondContact O-N 3.24Å; T637-I640 PolarHBondContact O-N 3.37Å; T637-I641 HydrophobicContact CG2-CD1 4.11Å; T637-I641 VanDerWaalsContact O-CG1 3.31Å; T637-I641 WeakPolarHBondContact O-CG1 3.32Å; T637-I641 PolarHBondContact O-N 2.89Å
638	A	92.9	Very high	90.1	Very high	5 Å²	5	75 Å²	75	4%	0.041	38%	0.379	C	S	.	.	H	α-helix	trans	-60.4	-44.1	175.8	0	0	0	0	0	112	Y633 S634 E635 H636 I640 I641 D642	Y633-A638 HydrophobicContact CD2-CB 4.17Å; Y633-A638 HydrophobicContact CE2-CB 3.81Å; S634-A638 PolarHBondContact O-N 3.46Å; E635-A638 WeakPolarHBondContact O-CB 3.45Å; E635-A638 PolarHBondContact O-N 3.44Å; H636-A638 VanDerWaalsContact C-N 3.32Å; H636-A638 PolarHBondContact O-N 3.31Å; A638-I640 PolarHBondContact O-N 3.17Å; A638-I641 WeakPolarHBondContact O-CB 3.1Å; A638-I641 PolarHBondContact O-N 3.11Å; A638-D642 PolarHBondContact O-N 2.74Å
639	Q	94.9	Very high	91.6	Very high	122 Å²	122	72.2 Å²	72.2	57%	0.57	36%	0.363	S	S	*	.	H	α-helix	trans	-60	-42.3	175.4	-71.4	169.5	-1.2	0	0	112.4	E635 H636 T637 D642 E643	E635-Q639 WeakPolarHBondContact O-CG 3.49Å; E635-Q639 PolarHBondContact O-N 3.07Å; H636-Q639 PolarHBondContact O-N 2.92Å; T637-Q639 PolarHBondContact O-N 3.24Å; Q639-D642 PolarHBondContact O-N 2.83Å; Q639-E643 PolarHBondContact O-N 3.19Å
640	I	95.1	Very high	93	Very high	40 Å²	40	69.7 Å²	69.7	21%	0.205	35%	0.347	C	S	.	.	H	α-helix	trans	-63.2	-43.4	175.3	-66.8	169.4	0	0	0	111	K613 V614 H636 T637 A638 E643 E644	K613-I640 HydrophobicContact CB-CG2 3.92Å; K613-I640 HydrophobicContact CD-CG2 4.23Å; V614-I640 HydrophobicContact CG2-CG2 4.06Å; H636-I640 WeakPolarHBondContact O-CG1 3.4Å; H636-I640 PolarHBondContact O-N 3.03Å; H636-I640 VanDerWaalsContact O-N 3.15Å; T637-I640 PolarHBondContact O-N 3.37Å; A638-I640 PolarHBondContact O-N 3.17Å; I640-E643 PolarHBondContact O-N 3.02Å; I640-E644 HydrophobicContact CG2-CG 4.34Å; I640-E644 VanDerWaalsContact O-CG 3.27Å; I640-E644 WeakPolarHBondContact O-CG 3.38Å; I640-E644 PolarHBondContact O-N 3.37Å
641	I	94.8	Very high	93.9	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-58.9	-49	176.3	-68.7	160.4	0	0	0	110	Y602 I605 V606 V614 Y633 T637 A638 E643 E644 V645	Y602-I641 HydrophobicContact CD1-CG2 3.81Å; Y602-I641 HydrophobicContact CE1-CG2 3.74Å; I605-I641 HydrophobicContact CG2-CB 4.45Å; I605-I641 HydrophobicContact CG2-CG1 4.23Å; I605-I641 HydrophobicContact CG2-CG2 4.12Å; V606-I641 HydrophobicContact CG2-CD1 4Å; V606-I641 HydrophobicContact CG2-CG1 4.23Å; V606-I641 HydrophobicContact CG2-CG2 3.6Å; V614-I641 HydrophobicContact CG2-CG1 3.96Å; Y633-I641 HydrophobicContact CD1-CD1 4.45Å; Y633-I641 HydrophobicContact CD2-CD1 4.25Å; Y633-I641 HydrophobicContact CE1-CD1 4.17Å; Y633-I641 HydrophobicContact CE2-CD1 3.94Å; T637-I641 HydrophobicContact CG2-CD1 4.11Å; T637-I641 VanDerWaalsContact O-CG1 3.31Å; T637-I641 WeakPolarHBondContact O-CG1 3.32Å; T637-I641 PolarHBondContact O-N 2.89Å; A638-I641 WeakPolarHBondContact O-CB 3.1Å; A638-I641 PolarHBondContact O-N 3.11Å; I641-E643 VanDerWaalsContact C-N 3.34Å; I641-E643 PolarHBondContact O-N 3.35Å; I641-E644 PolarHBondContact O-N 2.7Å; I641-V645 HydrophobicContact CG2-CG2 4.18Å; I641-V645 WeakPolarHBondContact O-CB 3.35Å; I641-V645 VanDerWaalsContact O-CG2 3.28Å; I641-V645 WeakPolarHBondContact O-CG2 3.37Å; I641-V645 PolarHBondContact O-N 2.81Å
642	D	95.6	Very high	94.6	Very high	66 Å²	66	62.8 Å²	62.8	35%	0.353	32%	0.315	S	S	.	.	H	α-helix	trans	-62.4	-37.5	-179.1	-70.5	-5.8	0	0	0	112.8	Y602 A638 Q639 R646	Y602-D642 PolarHBondContact OH-OD1 2.81Å; A638-D642 PolarHBondContact O-N 2.74Å; Q639-D642 PolarHBondContact O-N 2.83Å; D642-R646 WeakPolarHBondContact O-CB 3.36Å; D642-R646 PolarHBondContact O-N 3.31Å; D642-R646 VanDerWaalsContact O-N 3.1Å
643	E	96.5	Very high	95	Very high	84 Å²	84	60.5 Å²	60.5	39%	0.393	30%	0.296	S	S	.	.	H	α-helix	trans	-62.8	-48.2	172.6	-81.7	-170.5	-165.7	0	0	112.6	K613 Q639 I640 I641 R646 K647	K613-E643 IonicContact NZ-OE2 3.67Å; K613-E643 PolarHBondContact NZ-OE2 3.5Å; Q639-E643 PolarHBondContact O-N 3.19Å; I640-E643 PolarHBondContact O-N 3.02Å; I641-E643 VanDerWaalsContact C-N 3.34Å; I641-E643 PolarHBondContact O-N 3.35Å; E643-R646 PolarHBondContact O-N 2.85Å; E643-K647 WeakPolarHBondContact O-CG 3.38Å; E643-K647 PolarHBondContact O-N 3.08Å; E643-K647 IonicContact OE2-NZ 4Å; E643-K647 PolarHBondContact OE2-NZ 3.38Å
644	E	96	Very high	95.4	Very high	29 Å²	29	62.9 Å²	62.9	14%	0.136	31%	0.309	C	S	.	.	H	α-helix	trans	-71.1	-36.8	-175.8	-65.8	-68.9	113.9	0	0	110.9	I605 S611 K613 I640 I641 K647 L648	I605-E644 VanDerWaalsContact CD1-C 3.45Å; I605-E644 HydrophobicContact CD1-CB 3.85Å; S611-E644 PolarHBondContact OG-OE2 3.08Å; K613-E644 HydrophobicContact CB-CG 4.22Å; K613-E644 HydrophobicContact CD-CG 4.11Å; K613-E644 VanDerWaalsContact CD-OE1 3.32Å; K613-E644 WeakPolarHBondContact CD-OE1 3.22Å; K613-E644 WeakPolarHBondContact CE-OE1 3Å; K613-E644 HydrophobicContact CG-CG 4.41Å; K613-E644 IonicContact NZ-OE1 2.82Å; I640-E644 HydrophobicContact CG2-CG 4.34Å; I640-E644 VanDerWaalsContact O-CG 3.27Å; I640-E644 WeakPolarHBondContact O-CG 3.38Å; I640-E644 PolarHBondContact O-N 3.37Å; I641-E644 PolarHBondContact O-N 2.7Å; E644-K647 PolarHBondContact O-N 3.17Å; E644-K647 IonicContact OE1-NZ 3.01Å; E644-K647 PolarHBondContact OE1-NZ 3.34Å; E644-L648 WeakPolarHBondContact O-CB 3.23Å; E644-L648 PolarHBondContact O-N 3.07Å
645	V	96.3	Very high	95.6	Very high	13 Å²	13	64.2 Å²	64.2	8%	0.079	30%	0.304	C	S	.	.	H	α-helix	trans	-57.6	-48.6	169.8	166.3	0	0	0	0	110	A601 Y602 I605 I641 K647 L648 V649	A601-V645 HydrophobicContact CB-CG1 3.96Å; A601-V645 HydrophobicContact CB-CG2 4.4Å; Y602-V645 HydrophobicContact CD1-CG2 3.87Å; Y602-V645 HydrophobicContact CD2-CG2 4.46Å; Y602-V645 HydrophobicContact CE1-CG2 3.96Å; Y602-V645 HydrophobicContact CE2-CG1 4.27Å; Y602-V645 HydrophobicContact CG-CG2 4.13Å; I605-V645 HydrophobicContact CD1-CB 4.24Å; I605-V645 HydrophobicContact CD1-CG2 3.62Å; I605-V645 VanDerWaalsContact CD1-N 3.31Å; I641-V645 HydrophobicContact CG2-CG2 4.18Å; I641-V645 WeakPolarHBondContact O-CB 3.35Å; I641-V645 VanDerWaalsContact O-CG2 3.28Å; I641-V645 WeakPolarHBondContact O-CG2 3.37Å; I641-V645 PolarHBondContact O-N 2.81Å; V645-K647 PolarHBondContact O-N 2.97Å; V645-L648 PolarHBondContact O-N 2.67Å; V645-V649 HydrophobicContact CG1-CG2 4.44Å; V645-V649 VanDerWaalsContact O-CG2 3.32Å; V645-V649 WeakPolarHBondContact O-CG2 3.42Å; V645-V649 PolarHBondContact O-N 2.95Å
646	R	96.5	Very high	95.8	Very high	160 Å²	160	58.9 Å²	58.9	60%	0.604	28%	0.279	S	S	*	.	H	α-helix	trans	-60.8	-43.4	-179.8	-170.9	177.7	-64.1	107.3	4.9	112.1	D642 E643 Q650	D642-R646 WeakPolarHBondContact O-CB 3.36Å; D642-R646 PolarHBondContact O-N 3.31Å; D642-R646 VanDerWaalsContact O-N 3.1Å; E643-R646 PolarHBondContact O-N 2.85Å; R646-Q650 VanDerWaalsContact O-CB 3.3Å; R646-Q650 WeakPolarHBondContact O-CB 3.42Å; R646-Q650 PolarHBondContact O-N 2.83Å
647	K	96.2	Very high	95.9	Very high	94 Å²	94	53.6 Å²	53.6	41%	0.409	26%	0.255	S	S	.	.	H	α-helix	trans	-64	-44.3	176.8	-68.8	166.8	-156.7	160.8	0	112.3	E643 E644 V645 Q650 S651	E643-K647 WeakPolarHBondContact O-CG 3.38Å; E643-K647 PolarHBondContact O-N 3.08Å; E643-K647 IonicContact OE2-NZ 4Å; E643-K647 PolarHBondContact OE2-NZ 3.38Å; E644-K647 PolarHBondContact O-N 3.17Å; E644-K647 IonicContact OE1-NZ 3.01Å; E644-K647 PolarHBondContact OE1-NZ 3.34Å; V645-K647 PolarHBondContact O-N 2.97Å; K647-Q650 PolarHBondContact O-N 3.37Å; K647-S651 WeakPolarHBondContact O-CB 3.34Å; K647-S651 PolarHBondContact O-N 2.98Å
648	L	96.2	Very high	96.1	Very high	31 Å²	31	55.1 Å²	55.1	16%	0.162	26%	0.264	C	S	.	.	H	α-helix	trans	-62.8	-45.5	179.7	-176.4	65.6	0	0	0	111.3	L566 M569 A601 Q604 I605 E644 V645 S651 A652	L566-L648 HydrophobicContact CD1-CD1 4.41Å; M569-L648 HydrophobicContact CE-CD2 4.27Å; M569-L648 HydrophobicContact CE-CG 4Å; M569-L648 HydrophobicContact SD-CD2 4.15Å; M569-L648 HydrophobicContact SD-CG 4.22Å; A601-L648 HydrophobicContact CB-CD2 4.06Å; Q604-L648 HydrophobicContact CB-CD2 4.35Å; I605-L648 HydrophobicContact CD1-CD2 4.23Å; E644-L648 WeakPolarHBondContact O-CB 3.23Å; E644-L648 PolarHBondContact O-N 3.07Å; V645-L648 PolarHBondContact O-N 2.67Å; L648-S651 PolarHBondContact O-N 3.48Å; L648-A652 WeakPolarHBondContact O-CB 3.24Å; L648-A652 PolarHBondContact O-N 3.02Å
649	V	97.1	Very high	96.2	Very high	33 Å²	33	56.1 Å²	56.1	20%	0.2	27%	0.268	C	S	.	.	H	α-helix	trans	-65.5	-41.6	176.9	175.3	0	0	0	0	111.5	M569 V597 A601 V645 A652 Y653	M569-V649 HydrophobicContact CE-CB 4.48Å; M569-V649 HydrophobicContact CE-CG2 3.76Å; V597-V649 HydrophobicContact CG1-CB 4.47Å; V597-V649 HydrophobicContact CG1-CG1 3.94Å; V597-V649 HydrophobicContact CG1-CG2 3.86Å; A601-V649 HydrophobicContact CB-CG2 3.9Å; V645-V649 HydrophobicContact CG1-CG2 4.44Å; V645-V649 VanDerWaalsContact O-CG2 3.32Å; V645-V649 WeakPolarHBondContact O-CG2 3.42Å; V645-V649 PolarHBondContact O-N 2.95Å; V649-A652 PolarHBondContact O-N 3.38Å; V649-Y653 WeakPolarHBondContact O-CB 3.18Å; V649-Y653 PolarHBondContact O-N 2.93Å
650	Q	96.5	Very high	96.3	Very high	106 Å²	106	50.3 Å²	50.3	50%	0.495	24%	0.241	S	C	.	.	H	α-helix	trans	-63.1	-45.7	176.5	179.8	172.9	-9.8	0	0	111.9	R646 K647 A652 Y653 E654	R646-Q650 VanDerWaalsContact O-CB 3.3Å; R646-Q650 WeakPolarHBondContact O-CB 3.42Å; R646-Q650 PolarHBondContact O-N 2.83Å; K647-Q650 PolarHBondContact O-N 3.37Å; Q650-A652 VanDerWaalsContact C-N 3.34Å; Q650-A652 PolarHBondContact O-N 2.98Å; Q650-Y653 WeakPolarHBondContact O-CB 3.37Å; Q650-Y653 PolarHBondContact O-N 3.22Å; Q650-Y653 VanDerWaalsContact O-N 3.08Å; Q650-E654 HydrophobicContact CG-CG 4.43Å; Q650-E654 VanDerWaalsContact CG-OE1 3.26Å; Q650-E654 WeakPolarHBondContact CG-OE1 3.35Å; Q650-E654 PolarHBondContact NE2-OE1 3.5Å; Q650-E654 WeakPolarHBondContact O-CG 3.41Å; Q650-E654 PolarHBondContact O-N 3Å
651	S	95.4	Very high	96.4	Very high	66 Å²	66	55.4 Å²	55.4	46%	0.462	26%	0.258	S	S	.	.	H	α-helix	trans	-60.7	-41.7	177	-177.9	0	0	0	0	112.3	K647 L648 Y653 R655	K647-S651 WeakPolarHBondContact O-CB 3.34Å; K647-S651 PolarHBondContact O-N 2.98Å; L648-S651 PolarHBondContact O-N 3.48Å; S651-Y653 VanDerWaalsContact C-N 3.34Å; S651-Y653 PolarHBondContact O-N 3.19Å; S651-R655 WeakPolarHBondContact O-CB 3.41Å; S651-R655 PolarHBondContact O-N 2.89Å; S651-R655 VanDerWaalsContact O-N 3.08Å
652	A	96.8	Very high	96.4	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-62.8	-39.5	172.7	0	0	0	0	0	112.1	L566 M569 L573 L648 V649 Q650 T656	L566-A652 HydrophobicContact CD1-CB 3.87Å; M569-A652 HydrophobicContact CB-CB 4.13Å; M569-A652 HydrophobicContact CE-CB 4.36Å; L573-A652 HydrophobicContact CD1-CB 3.73Å; L648-A652 WeakPolarHBondContact O-CB 3.24Å; L648-A652 PolarHBondContact O-N 3.02Å; V649-A652 PolarHBondContact O-N 3.38Å; Q650-A652 VanDerWaalsContact C-N 3.34Å; Q650-A652 PolarHBondContact O-N 2.98Å; A652-T656 WeakPolarHBondContact O-CB 3.48Å; A652-T656 PolarHBondContact O-N 3.1Å; A652-T656 PolarHBondContact O-OG1 2.88Å
653	Y	97.1	Very high	96.4	Very high	38 Å²	38	62.1 Å²	62.1	15%	0.149	29%	0.286	C	S	.	.	H	α-helix	trans	-66.6	-45.7	178.4	-163.5	-117.5	0	0	0	112.4	L573 R576 A577 E580 V649 Q650 S651 R655 T656 L657	L573-Y653 HydrophobicContact CB-CD2 4.12Å; L573-Y653 HydrophobicContact CD1-CD2 4.22Å; L573-Y653 HydrophobicContact CD2-CD2 4.06Å; L573-Y653 HydrophobicContact CG-CD2 4.35Å; R576-Y653 HydrophobicContact CG-CE2 4.43Å; A577-Y653 HydrophobicContact CB-CD2 4.41Å; A577-Y653 HydrophobicContact CB-CE2 3.76Å; E580-Y653 PolarHBondContact OE2-OH 3.02Å; V649-Y653 WeakPolarHBondContact O-CB 3.18Å; V649-Y653 PolarHBondContact O-N 2.93Å; Q650-Y653 WeakPolarHBondContact O-CB 3.37Å; Q650-Y653 PolarHBondContact O-N 3.22Å; Q650-Y653 VanDerWaalsContact O-N 3.08Å; S651-Y653 VanDerWaalsContact C-N 3.34Å; S651-Y653 PolarHBondContact O-N 3.19Å; Y653-R655 PolarHBondContact O-N 3.11Å; Y653-T656 WeakPolarHBondContact O-CB 3.32Å; Y653-T656 PolarHBondContact O-N 3.47Å; Y653-T656 VanDerWaalsContact O-N 3.16Å; Y653-L657 HydrophobicContact CD1-CD1 3.75Å; Y653-L657 HydrophobicContact CD1-CG 4.29Å; Y653-L657 HydrophobicContact CE1-CD1 3.62Å; Y653-L657 HydrophobicContact CE1-CD2 4.49Å; Y653-L657 HydrophobicContact CE1-CG 4.12Å; Y653-L657 WeakPolarHBondContact O-CG 3.45Å; Y653-L657 PolarHBondContact O-N 3.28Å
654	E	97	Very high	96.3	Very high	98 Å²	98	62.4 Å²	62.4	46%	0.458	29%	0.286	S	S	.	.	H	α-helix	trans	-62.9	-41.5	177.9	-71.7	170.2	-172.6	0	0	111.9	Q650 L657 T658	Q650-E654 HydrophobicContact CG-CG 4.43Å; Q650-E654 VanDerWaalsContact CG-OE1 3.26Å; Q650-E654 WeakPolarHBondContact CG-OE1 3.35Å; Q650-E654 PolarHBondContact NE2-OE1 3.5Å; Q650-E654 WeakPolarHBondContact O-CG 3.41Å; Q650-E654 PolarHBondContact O-N 3Å; E654-L657 PolarHBondContact O-N 3.22Å; E654-T658 PolarHBondContact O-N 3.02Å; E654-T658 PolarHBondContact O-OG1 3.11Å
655	R	96.7	Very high	96.3	Very high	91 Å²	91	68.5 Å²	68.5	34%	0.343	32%	0.315	S	S	.	.	H	α-helix	trans	-59.9	-44.7	171.4	-176.8	174.5	175.6	-138.8	-2.1	111.8	L529 D567 S651 Y653 T658 I659	L529-R655 VanDerWaalsContact CD2-NH2 3.34Å; D567-R655 IonicContact OD1-CZ 2.83Å; D567-R655 IonicContact OD1-NH1 3.75Å; D567-R655 PolarHBondContact OD1-NH1 2.88Å; D567-R655 IonicContact OD1-NH2 2.69Å; D567-R655 PolarHBondContact OD1-NH2 3.49Å; S651-R655 WeakPolarHBondContact O-CB 3.41Å; S651-R655 PolarHBondContact O-N 2.89Å; S651-R655 VanDerWaalsContact O-N 3.08Å; Y653-R655 PolarHBondContact O-N 3.11Å; R655-T658 PolarHBondContact O-N 3.13Å; R655-I659 HydrophobicContact CG-CD1 4.23Å; R655-I659 WeakPolarHBondContact O-CG1 3.22Å; R655-I659 PolarHBondContact O-N 2.94Å; R655-I659 VanDerWaalsContact O-N 3.14Å
656	T	97.2	Very high	96.3	Very high	0 Å²	0	69.7 Å²	69.7	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-65.2	-44.5	179.7	-54	0	0	0	0	112	V525 C570 L573 A577 A652 Y653 T658 I659 L660	V525-T656 HydrophobicContact CG1-CG2 4.36Å; V525-T656 HydrophobicContact CG2-CG2 3.94Å; C570-T656 VanDerWaalsContact CA-OG1 3.27Å; C570-T656 WeakPolarHBondContact CA-OG1 3.39Å; C570-T656 WeakPolarHBondContact CB-OG1 3.5Å; C570-T656 PolarHBondContact O-OG1 2.89Å; L573-T656 HydrophobicContact CB-CG2 4.37Å; A577-T656 HydrophobicContact CB-CG2 3.76Å; A652-T656 WeakPolarHBondContact O-CB 3.48Å; A652-T656 PolarHBondContact O-N 3.1Å; A652-T656 PolarHBondContact O-OG1 2.88Å; Y653-T656 WeakPolarHBondContact O-CB 3.32Å; Y653-T656 PolarHBondContact O-N 3.47Å; Y653-T656 VanDerWaalsContact O-N 3.16Å; T656-T658 VanDerWaalsContact C-N 3.28Å; T656-T658 PolarHBondContact O-N 2.99Å; T656-I659 PolarHBondContact O-N 3.11Å; T656-L660 HydrophobicContact CG2-CD1 4.02Å; T656-L660 WeakPolarHBondContact O-CG 3.41Å; T656-L660 PolarHBondContact O-N 3.21Å
657	L	96.5	Very high	96.2	Very high	12 Å²	12	62.1 Å²	62.1	6%	0.063	29%	0.292	C	S	.	.	H	α-helix	trans	-59.9	-38.1	174.2	-77	172.7	0	0	0	112.1	A577 V581 Y653 E654 R661	A577-L657 HydrophobicContact CB-CD2 3.96Å; A577-L657 HydrophobicContact CB-CG 4.32Å; V581-L657 HydrophobicContact CG2-CD2 3.73Å; Y653-L657 HydrophobicContact CD1-CD1 3.75Å; Y653-L657 HydrophobicContact CD1-CG 4.29Å; Y653-L657 HydrophobicContact CE1-CD1 3.62Å; Y653-L657 HydrophobicContact CE1-CD2 4.49Å; Y653-L657 HydrophobicContact CE1-CG 4.12Å; Y653-L657 WeakPolarHBondContact O-CG 3.45Å; Y653-L657 PolarHBondContact O-N 3.28Å; E654-L657 PolarHBondContact O-N 3.22Å; L657-R661 WeakPolarHBondContact O-CB 3.42Å; L657-R661 WeakPolarHBondContact O-CD 2.93Å; L657-R661 WeakPolarHBondContact O-CG 3.4Å; L657-R661 PolarHBondContact O-N 3.33Å
658	T	96.9	Very high	96.2	Very high	69 Å²	69	60.4 Å²	60.4	42%	0.423	29%	0.287	S	S	.	.	H	α-helix	trans	-64.2	-50.9	178.8	-56.4	0	0	0	0	110.5	E654 R655 T656 L660 R661 E662	E654-T658 PolarHBondContact O-N 3.02Å; E654-T658 PolarHBondContact O-OG1 3.11Å; R655-T658 PolarHBondContact O-N 3.13Å; T656-T658 VanDerWaalsContact C-N 3.28Å; T656-T658 PolarHBondContact O-N 2.99Å; T658-L660 VanDerWaalsContact C-N 3.35Å; T658-L660 PolarHBondContact O-N 3.05Å; T658-R661 PolarHBondContact O-N 2.8Å; T658-E662 WeakPolarHBondContact O-CG 3.35Å; T658-E662 PolarHBondContact O-N 3.21Å
659	I	95.7	Very high	96.2	Very high	26 Å²	26	64.8 Å²	64.8	13%	0.133	31%	0.305	C	S	.	.	H	α-helix	trans	-57	-46.2	176.5	-65.1	164.3	0	0	0	111.3	L529 R655 T656 R661 E662 K663	L529-I659 HydrophobicContact CD2-CD1 3.78Å; L529-I659 HydrophobicContact CG-CD1 4.42Å; R655-I659 HydrophobicContact CG-CD1 4.23Å; R655-I659 WeakPolarHBondContact O-CG1 3.22Å; R655-I659 PolarHBondContact O-N 2.94Å; R655-I659 VanDerWaalsContact O-N 3.14Å; T656-I659 PolarHBondContact O-N 3.11Å; I659-R661 PolarHBondContact O-N 3Å; I659-E662 PolarHBondContact O-N 3.26Å; I659-K663 WeakPolarHBondContact O-CB 3.41Å; I659-K663 WeakPolarHBondContact O-CG 3.33Å; I659-K663 PolarHBondContact O-N 3.19Å
660	L	96.2	Very high	96.2	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-69.9	-30.8	-179.1	-74	168.9	0	0	0	113.5	V525 A577 V581 T656 T658 K664 V667	V525-L660 HydrophobicContact CG2-CD1 4.08Å; V525-L660 HydrophobicContact CG2-CD2 3.77Å; V525-L660 HydrophobicContact CG2-CG 3.73Å; A577-L660 HydrophobicContact CB-CD1 3.48Å; A577-L660 VanDerWaalsContact CB-CD1 3.48Å; V581-L660 HydrophobicContact CG2-CB 4.48Å; T656-L660 HydrophobicContact CG2-CD1 4.02Å; T656-L660 WeakPolarHBondContact O-CG 3.41Å; T656-L660 PolarHBondContact O-N 3.21Å; T658-L660 VanDerWaalsContact C-N 3.35Å; T658-L660 PolarHBondContact O-N 3.05Å; L660-K664 VanDerWaalsContact O-CA 3.29Å; L660-K664 WeakPolarHBondContact O-CA 3.46Å; L660-K664 PolarHBondContact O-N 3.39Å; L660-V667 HydrophobicContact CD2-CG2 3.65Å
661	R	96.4	Very high	96.1	Very high	147 Å²	147	58.1 Å²	58.1	56%	0.555	27%	0.272	S	S	*	.	H	α-helix	trans	-70.1	-43.2	173.4	-74.1	166.9	-174.7	173.4	3.7	111.3	V581 L657 T658 I659 K664	V581-R661 HydrophobicContact CG1-CG 4.42Å; V581-R661 HydrophobicContact CG2-CG 4.1Å; L657-R661 WeakPolarHBondContact O-CB 3.42Å; L657-R661 WeakPolarHBondContact O-CD 2.93Å; L657-R661 WeakPolarHBondContact O-CG 3.4Å; L657-R661 PolarHBondContact O-N 3.33Å; T658-R661 PolarHBondContact O-N 2.8Å; I659-R661 PolarHBondContact O-N 3Å; R661-K664 WeakPolarHBondContact O-CB 3.46Å
662	E	96.2	Very high	96.1	Very high	136 Å²	136	59 Å²	59	64%	0.636	27%	0.27	S	S	*	.	H	α-helix	trans	-64.5	-41.8	175	-71.6	176.6	-166.1	0	0	112.6	T658 I659	T658-E662 WeakPolarHBondContact O-CG 3.35Å; T658-E662 PolarHBondContact O-N 3.21Å; I659-E662 PolarHBondContact O-N 3.26Å
663	K	95.1	Very high	96	Very high	71 Å²	71	60.8 Å²	60.8	31%	0.309	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	17.3	-177.4	-54.5	-55.1	-179.8	-174.8	0	113.6	V524 F528 I659 Q665 L666 V667	V524-K663 HydrophobicContact CG1-CB 3.87Å; F528-K663 HydrophobicContact CD2-CG 4.07Å; F528-K663 HydrophobicContact CE2-CD 4.32Å; F528-K663 HydrophobicContact CE2-CG 4.22Å; F528-K663 HydrophobicContact CZ-CD 4.43Å; I659-K663 WeakPolarHBondContact O-CB 3.41Å; I659-K663 WeakPolarHBondContact O-CG 3.33Å; I659-K663 PolarHBondContact O-N 3.19Å; K663-Q665 VanDerWaalsContact C-N 3.28Å; K663-Q665 PolarHBondContact O-N 3.28Å; K663-Q665 VanDerWaalsContact O-N 3.13Å; K663-L666 HydrophobicContact CD-CD1 4.27Å; K663-L666 WeakPolarHBondContact O-CB 3.44Å; K663-L666 PolarHBondContact O-N 3.15Å; K663-V667 PolarHBondContact O-N 3.49Å
664	K	95	Very high	95.9	Very high	91 Å²	91	59 Å²	59	40%	0.396	27%	0.272	S	S	.	.	H	α-helix	trans	-50.8	-42.9	-173.6	-169.1	172.8	-179.1	162.6	0	113.4	V581 F582 L660 R661 L666 V667 D668	V581-K664 HydrophobicContact CG1-CD 4.06Å; V581-K664 HydrophobicContact CG1-CG 4.35Å; V581-K664 PolarHBondContact O-NZ 3.48Å; F582-K664 HydrophobicContact CE1-CD 4.36Å; F582-K664 HydrophobicContact CE1-CG 3.77Å; F582-K664 HydrophobicContact CE2-CG 4.13Å; F582-K664 HydrophobicContact CZ-CB 4.46Å; F582-K664 HydrophobicContact CZ-CD 4.37Å; F582-K664 HydrophobicContact CZ-CG 3.43Å; F582-K664 VanDerWaalsContact CZ-CG 3.43Å; F582-K664 WeakPolarHBondContact CZ-O 3.46Å; L660-K664 VanDerWaalsContact O-CA 3.29Å; L660-K664 WeakPolarHBondContact O-CA 3.46Å; L660-K664 PolarHBondContact O-N 3.39Å; R661-K664 WeakPolarHBondContact O-CB 3.46Å; K664-L666 VanDerWaalsContact C-N 3.3Å; K664-L666 PolarHBondContact O-N 3.1Å; K664-V667 PolarHBondContact O-N 3.27Å; K664-D668 PolarHBondContact O-N 3.39Å
665	Q	95.8	Very high	95.7	Very high	157 Å²	157	56.2 Å²	56.2	73%	0.734	26%	0.26	S	S	*	.	H	α-helix	trans	-64.4	-30.2	178.6	-65.4	-177.7	-2.2	0	0	113.8	K663 K669	K663-Q665 VanDerWaalsContact C-N 3.28Å; K663-Q665 PolarHBondContact O-N 3.28Å; K663-Q665 VanDerWaalsContact O-N 3.13Å; Q665-K669 WeakPolarHBondContact O-CG 3.42Å; Q665-K669 PolarHBondContact O-N 3.46Å
666	L	95.3	Very high	95.6	Very high	38 Å²	38	58.6 Å²	58.6	20%	0.199	28%	0.279	C	S	.	.	H	α-helix	trans	-76.7	-40.1	177.9	-62.6	-179.2	0	0	0	111.4	F528 K663 K664 D668 K669 L670 L689	F528-L666 HydrophobicContact CE2-CD1 3.66Å; F528-L666 HydrophobicContact CZ-CD1 3.61Å; K663-L666 HydrophobicContact CD-CD1 4.27Å; K663-L666 WeakPolarHBondContact O-CB 3.44Å; K663-L666 PolarHBondContact O-N 3.15Å; K664-L666 VanDerWaalsContact C-N 3.3Å; K664-L666 PolarHBondContact O-N 3.1Å; L666-D668 VanDerWaalsContact C-N 3.29Å; L666-D668 PolarHBondContact O-N 3.27Å; L666-K669 PolarHBondContact O-N 3.02Å; L666-L670 VanDerWaalsContact O-CB 3.27Å; L666-L670 WeakPolarHBondContact O-CB 3.27Å; L666-L670 PolarHBondContact O-N 2.88Å; L666-L689 HydrophobicContact CB-CD2 3.94Å; L666-L689 HydrophobicContact CD1-CD2 4.43Å
667	V	95.8	Very high	95.3	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-60.5	-42.4	174.1	-174.2	0	0	0	0	110.4	A520 V524 F582 L660 K663 K664 L670 A671	A520-V667 HydrophobicContact CB-CG1 3.89Å; V524-V667 HydrophobicContact CB-CG2 3.88Å; V524-V667 HydrophobicContact CG1-CG2 3.84Å; V524-V667 HydrophobicContact CG2-CB 4.4Å; V524-V667 HydrophobicContact CG2-CG2 3.81Å; F582-V667 HydrophobicContact CD2-CG1 4.41Å; F582-V667 HydrophobicContact CE2-CB 3.77Å; F582-V667 HydrophobicContact CE2-CG1 3.55Å; F582-V667 HydrophobicContact CE2-CG2 4.47Å; F582-V667 HydrophobicContact CZ-CB 3.85Å; F582-V667 HydrophobicContact CZ-CG1 4.01Å; L660-V667 HydrophobicContact CD2-CG2 3.65Å; K663-V667 PolarHBondContact O-N 3.49Å; K664-V667 PolarHBondContact O-N 3.27Å; V667-L670 PolarHBondContact O-N 3.4Å; V667-A671 VanDerWaalsContact O-CB 3.26Å; V667-A671 WeakPolarHBondContact O-CB 3.4Å; V667-A671 PolarHBondContact O-N 2.91Å
668	D	96.4	Very high	95.1	Very high	59 Å²	59	66.6 Å²	66.6	32%	0.316	32%	0.315	S	S	.	.	H	α-helix	trans	-64.1	-48.9	179.6	-162.7	52.4	0	0	0	112.1	Y517 F582 K664 L666 L670 A671 L672	Y517-D668 VanDerWaalsContact CE1-OD1 3.32Å; Y517-D668 WeakPolarHBondContact CE1-OD1 3.35Å; Y517-D668 PolarHBondContact OH-OD1 3.43Å; F582-D668 HydrophobicContact CE1-CB 4.01Å; F582-D668 HydrophobicContact CZ-CB 4.23Å; K664-D668 PolarHBondContact O-N 3.39Å; L666-D668 VanDerWaalsContact C-N 3.29Å; L666-D668 PolarHBondContact O-N 3.27Å; D668-L670 VanDerWaalsContact C-N 3.34Å; D668-L670 PolarHBondContact O-N 2.96Å; D668-A671 PolarHBondContact O-N 2.83Å; D668-L672 VanDerWaalsContact O-CG 3.3Å; D668-L672 WeakPolarHBondContact O-CG 3.35Å; D668-L672 PolarHBondContact O-N 3.5Å
669	K	95.8	Very high	94.8	Very high	122 Å²	122	66.9 Å²	66.9	53%	0.53	31%	0.312	S	S	.	.	H	α-helix	trans	-56.7	-46.1	173.3	-74	177.4	-180	-173.7	0	112.2	Q665 L666 L672 Q673 V688	Q665-K669 WeakPolarHBondContact O-CG 3.42Å; Q665-K669 PolarHBondContact O-N 3.46Å; L666-K669 PolarHBondContact O-N 3.02Å; K669-L672 PolarHBondContact O-N 2.77Å; K669-Q673 PolarHBondContact O-N 2.79Å; K669-V688 HydrophobicContact CB-CG1 3.99Å
670	L	95.6	Very high	94.7	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-66.8	-41.4	-178.2	-171.7	68.2	0	0	0	112	A520 A523 V524 L666 V667 D668 Q673 L674 L680 L685 V688 L689	A520-L670 HydrophobicContact CB-CB 4.29Å; A520-L670 HydrophobicContact CB-CD2 4.09Å; A520-L670 HydrophobicContact CB-CG 4.24Å; A523-L670 HydrophobicContact CB-CD2 3.64Å; V524-L670 HydrophobicContact CG2-CD2 3.82Å; L666-L670 VanDerWaalsContact O-CB 3.27Å; L666-L670 WeakPolarHBondContact O-CB 3.27Å; L666-L670 PolarHBondContact O-N 2.88Å; V667-L670 PolarHBondContact O-N 3.4Å; D668-L670 VanDerWaalsContact C-N 3.34Å; D668-L670 PolarHBondContact O-N 2.96Å; L670-Q673 PolarHBondContact O-N 3.37Å; L670-L674 HydrophobicContact CG-CD1 4.47Å; L670-L674 WeakPolarHBondContact O-CB 3.39Å; L670-L674 WeakPolarHBondContact O-CG 3.39Å; L670-L674 PolarHBondContact O-N 3.07Å; L670-L680 HydrophobicContact CD1-CD1 3.42Å; L670-L680 VanDerWaalsContact CD1-CD1 3.42Å; L670-L680 HydrophobicContact CG-CD1 4.32Å; L670-L685 HydrophobicContact CD1-CD2 3.63Å; L670-L685 HydrophobicContact CD2-CD2 4.37Å; L670-V688 HydrophobicContact CB-CG1 4.1Å; L670-V688 HydrophobicContact CD1-CB 4.29Å; L670-V688 HydrophobicContact CD1-CG1 4.14Å; L670-V688 HydrophobicContact CD1-CG2 4.38Å; L670-L689 HydrophobicContact CD2-CD1 4.48Å
671	A	95.3	Very high	94.4	Very high	0 Å²	0	68.4 Å²	68.4	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-65.1	-39.7	176.4	0	0	0	0	0	112.1	A516 Y517 A520 V667 D668 L674 L675	A516-A671 HydrophobicContact CB-CB 4.49Å; Y517-A671 HydrophobicContact CD1-CB 3.81Å; Y517-A671 HydrophobicContact CD2-CB 3.78Å; Y517-A671 HydrophobicContact CE1-CB 3.86Å; Y517-A671 HydrophobicContact CE2-CB 3.83Å; Y517-A671 HydrophobicContact CG-CB 3.79Å; A520-A671 HydrophobicContact CB-CB 3.95Å; V667-A671 VanDerWaalsContact O-CB 3.26Å; V667-A671 WeakPolarHBondContact O-CB 3.4Å; V667-A671 PolarHBondContact O-N 2.91Å; D668-A671 PolarHBondContact O-N 2.83Å; A671-L674 PolarHBondContact O-N 2.93Å; A671-L675 WeakPolarHBondContact O-CG 3.21Å; A671-L675 PolarHBondContact O-N 2.69Å
672	L	95.6	Very high	93.9	Very high	83 Å²	83	62.7 Å²	62.7	44%	0.435	30%	0.297	S	S	.	.	H	α-helix	trans	-63	-47.7	173.7	-70	170.2	0	0	0	111.3	D668 K669 L674 L675 D676	D668-L672 VanDerWaalsContact O-CG 3.3Å; D668-L672 WeakPolarHBondContact O-CG 3.35Å; D668-L672 PolarHBondContact O-N 3.5Å; K669-L672 PolarHBondContact O-N 2.77Å; L672-L674 VanDerWaalsContact C-N 3.29Å; L672-L674 PolarHBondContact O-N 2.94Å; L672-L675 WeakPolarHBondContact O-CB 3.49Å; L672-L675 PolarHBondContact O-N 3.45Å; L672-D676 PolarHBondContact O-N 3.41Å
673	Q	94.7	Very high	93.6	Very high	38 Å²	38	61.9 Å²	61.9	18%	0.178	29%	0.294	C	S	.	.	H	α-helix	trans	-66.9	-29.8	178.8	-163.2	172.6	-33.2	0	0	112.8	K669 L670 D676 K677 L680	K669-Q673 PolarHBondContact O-N 2.79Å; L670-Q673 PolarHBondContact O-N 3.37Å; Q673-D676 PolarHBondContact O-N 2.97Å; Q673-K677 HydrophobicContact CG-CD 4.22Å; Q673-K677 PolarHBondContact O-N 3.16Å; Q673-L680 HydrophobicContact CB-CD1 4.42Å; Q673-L680 HydrophobicContact CG-CD2 3.86Å
674	L	94.1	Very high	93.4	Very high	0 Å²	0	60 Å²	60	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-65.1	-37	168.5	-81	167.1	0	0	0	112.3	A516 E519 A520 V538 I540 L670 A671 L672 D676 E678 L680	A516-L674 HydrophobicContact CB-CB 4.33Å; E519-L674 HydrophobicContact CB-CD1 4.43Å; A520-L674 HydrophobicContact CB-CD1 4.17Å; V538-L674 HydrophobicContact CB-CD2 4.16Å; V538-L674 HydrophobicContact CG1-CD1 3.93Å; V538-L674 HydrophobicContact CG1-CD2 3.84Å; I540-L674 WeakPolarHBondContact CD1-O 3.43Å; I540-L674 HydrophobicContact CG2-CB 4.36Å; I540-L674 HydrophobicContact CG2-CD2 4.4Å; L670-L674 HydrophobicContact CG-CD1 4.47Å; L670-L674 WeakPolarHBondContact O-CB 3.39Å; L670-L674 WeakPolarHBondContact O-CG 3.39Å; L670-L674 PolarHBondContact O-N 3.07Å; A671-L674 PolarHBondContact O-N 2.93Å; L672-L674 VanDerWaalsContact C-N 3.29Å; L672-L674 PolarHBondContact O-N 2.94Å; L674-D676 VanDerWaalsContact C-N 3.31Å; L674-D676 PolarHBondContact O-N 2.87Å; L674-E678 WeakPolarHBondContact O-CA 3.41Å; L674-E678 PolarHBondContact O-N 3.38Å; L674-L680 HydrophobicContact CD2-CB 4.39Å; L674-L680 HydrophobicContact CD2-CD1 3.85Å; L674-L680 HydrophobicContact CD2-CG 3.76Å; L674-L680 HydrophobicContact CG-CD1 3.7Å; L674-L680 HydrophobicContact CG-CG 4.15Å
675	L	93.8	Very high	93.2	Very high	40 Å²	40	55.7 Å²	55.7	21%	0.209	27%	0.268	C	S	.	.	H	α-helix	trans	-66.2	-35.6	177.1	-72.5	168.2	0	0	0	112.4	K512 K513 A516 I540 A671 L672	K512-L675 HydrophobicContact CB-CD2 4.44Å; K512-L675 HydrophobicContact CD-CD2 4.16Å; K512-L675 HydrophobicContact CG-CD2 3.84Å; K512-L675 PolarHBondContact NZ-O 2.72Å; K513-L675 HydrophobicContact CG-CD1 4.29Å; A516-L675 HydrophobicContact CB-CD1 4.42Å; A516-L675 HydrophobicContact CB-CD2 3.79Å; A516-L675 HydrophobicContact CB-CG 3.76Å; I540-L675 HydrophobicContact CD1-CD2 4.15Å; A671-L675 WeakPolarHBondContact O-CG 3.21Å; A671-L675 PolarHBondContact O-N 2.69Å; L672-L675 WeakPolarHBondContact O-CB 3.49Å; L672-L675 PolarHBondContact O-N 3.45Å
676	D	93.6	Very high	93	Very high	141 Å²	141	51.6 Å²	51.6	75%	0.754	25%	0.251	S	S	*	.	H	α-helix	trans	-78.3	-50.4	179.6	-66.4	-22	0	0	0	113.2	L672 Q673 L674	L672-D676 PolarHBondContact O-N 3.41Å; Q673-D676 PolarHBondContact O-N 2.97Å; L674-D676 VanDerWaalsContact C-N 3.31Å; L674-D676 PolarHBondContact O-N 2.87Å
677	K	92.3	Very high	92.9	Very high	96 Å²	96	56.6 Å²	56.6	42%	0.417	27%	0.273	S	S	.	.	H	α-helix	trans	-90.3	-15.3	-176.4	-72.7	-179.5	171.1	172.3	0	114.4	Q673 Q679 L680 D684	Q673-K677 HydrophobicContact CG-CD 4.22Å; Q673-K677 PolarHBondContact O-N 3.16Å; K677-Q679 WeakPolarHBondContact CB-O 3.3Å; K677-Q679 PolarHBondContact O-N 2.99Å; K677-L680 HydrophobicContact CB-CD2 3.98Å; K677-L680 HydrophobicContact CD-CD2 3.62Å; K677-L680 HydrophobicContact CG-CD2 4.35Å; K677-D684 IonicContact NZ-OD1 2.62Å; K677-D684 PolarHBondContact NZ-OD1 3.09Å
678	E	90.9	Very high	92.7	Very high	85 Å²	85	57.5 Å²	57.5	40%	0.397	28%	0.278	S	S	.	.	S	Bend	trans	59.8	-16.3	-173.2	-51.3	-164	140.8	0	0	116.7	K512 S539 I540 I541 L674	K512-E678 IonicContact NZ-OE1 3.72Å; K512-E678 PolarHBondContact NZ-OE1 3.31Å; S539-E678 WeakPolarHBondContact CA-O 2.91Å; S539-E678 PolarHBondContact OG-O 3.17Å; I540-E678 HydrophobicContact CG1-CB 4.3Å; I540-E678 WeakPolarHBondContact CG1-O 3.48Å; I540-E678 PolarHBondContact N-O 2.95Å; I541-E678 HydrophobicContact CD1-CB 4.14Å; I541-E678 HydrophobicContact CG1-CB 3.84Å; L674-E678 WeakPolarHBondContact O-CA 3.41Å; L674-E678 PolarHBondContact O-N 3.38Å
679	Q	91	Very high	92.5	Very high	74 Å²	74	55.4 Å²	55.4	35%	0.346	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	145.7	174.4	56	179.4	-11.2	0	0	109.8	K537 V538 K677	K537-Q679 VanDerWaalsContact CE-OE1 3.22Å; V538-Q679 CarbonylContact O-C 3.55Å; V538-Q679 VanDerWaalsContact O-CA 3.26Å; V538-Q679 WeakPolarHBondContact O-CA 3.35Å; K677-Q679 WeakPolarHBondContact CB-O 3.3Å; K677-Q679 PolarHBondContact O-N 2.99Å
680	L	92.9	Very high	92.3	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	130.8	175.7	-60.9	179.2	0	0	0	109.3	K537 V538 L670 Q673 L674 K677 D684 L685	K537-L680 WeakPolarHBondContact CA-O 3.43Å; V538-L680 PolarHBondContact N-O 3.36Å; V538-L680 PolarHBondContact O-N 3.21Å; L670-L680 HydrophobicContact CD1-CD1 3.42Å; L670-L680 VanDerWaalsContact CD1-CD1 3.42Å; L670-L680 HydrophobicContact CG-CD1 4.32Å; Q673-L680 HydrophobicContact CB-CD1 4.42Å; Q673-L680 HydrophobicContact CG-CD2 3.86Å; L674-L680 HydrophobicContact CD2-CB 4.39Å; L674-L680 HydrophobicContact CD2-CD1 3.85Å; L674-L680 HydrophobicContact CD2-CG 3.76Å; L674-L680 HydrophobicContact CG-CD1 3.7Å; L674-L680 HydrophobicContact CG-CG 4.15Å; K677-L680 HydrophobicContact CB-CD2 3.98Å; K677-L680 HydrophobicContact CD-CD2 3.62Å; K677-L680 HydrophobicContact CG-CD2 4.35Å; L680-D684 HydrophobicContact CB-CB 3.96Å; L680-D684 HydrophobicContact CD2-CB 3.84Å; L680-D684 HydrophobicContact CG-CB 4.39Å; L680-L685 HydrophobicContact CB-CD2 4.3Å; L680-L685 HydrophobicContact CD1-CD2 4.42Å
681	Q	90	Very high	92	Very high	58 Å²	58	56 Å²	56	27%	0.271	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	171.1	171.6	-57.2	-162.2	-7.1	0	0	110.3	E683 D684 L685	Q681-E683 VanDerWaalsContact CB-OE2 3.32Å; Q681-E683 WeakPolarHBondContact CB-OE2 3.48Å; Q681-E683 PolarHBondContact O-N 3.12Å; Q681-E683 VanDerWaalsContact O-N 3.15Å; Q681-D684 PolarHBondContact N-OD2 3.46Å; Q681-D684 WeakPolarHBondContact O-CB 3.1Å; Q681-D684 PolarHBondContact O-N 3.01Å; Q681-L685 WeakPolarHBondContact O-CG 3.34Å; Q681-L685 PolarHBondContact O-N 2.95Å
682	K	87.4	Confident	91.7	Very high	28 Å²	28	57.2 Å²	57.2	12%	0.122	29%	0.293	C	S	.	.	H	α-helix	trans	-54.1	-35.6	-179.7	-176.2	173.3	-179.4	171.5	0	112.8	L536 L685 I686 E696 S698	L536-K682 PolarHBondContact O-N 3.22Å; K682-L685 WeakPolarHBondContact O-CB 3.21Å; K682-L685 PolarHBondContact O-N 3.32Å; K682-I686 HydrophobicContact CG-CD1 4.08Å; K682-I686 VanDerWaalsContact O-CG1 3.32Å; K682-I686 WeakPolarHBondContact O-CG1 3.12Å; K682-I686 PolarHBondContact O-N 3.24Å; K682-E696 WeakPolarHBondContact CE-OE2 3.4Å; K682-E696 IonicContact NZ-OE2 2.69Å; K682-E696 PolarHBondContact NZ-OE2 2.82Å; K682-S698 PolarHBondContact NZ-OG 2.91Å
683	E	89.2	Confident	91.3	Very high	119 Å²	119	57 Å²	57	56%	0.556	30%	0.296	S	S	*	.	H	α-helix	trans	-63.3	-46	177.9	-62	75	-168.8	0	0	111.3	Q681 L685 I686 E687	Q681-E683 VanDerWaalsContact CB-OE2 3.32Å; Q681-E683 WeakPolarHBondContact CB-OE2 3.48Å; Q681-E683 PolarHBondContact O-N 3.12Å; Q681-E683 VanDerWaalsContact O-N 3.15Å; E683-L685 VanDerWaalsContact C-N 3.31Å; E683-L685 PolarHBondContact O-N 3.31Å; E683-I686 PolarHBondContact O-N 3.34Å; E683-E687 PolarHBondContact O-N 3.22Å
684	D	91.7	Very high	91	Very high	31 Å²	31	58.3 Å²	58.3	17%	0.166	30%	0.302	C	S	.	.	H	α-helix	trans	-63.1	-37.2	173.5	-57.4	-74.9	0	0	0	111.6	K677 L680 Q681 E687 V688	K677-D684 IonicContact NZ-OD1 2.62Å; K677-D684 PolarHBondContact NZ-OD1 3.09Å; L680-D684 HydrophobicContact CB-CB 3.96Å; L680-D684 HydrophobicContact CD2-CB 3.84Å; L680-D684 HydrophobicContact CG-CB 4.39Å; Q681-D684 PolarHBondContact N-OD2 3.46Å; Q681-D684 WeakPolarHBondContact O-CB 3.1Å; Q681-D684 PolarHBondContact O-N 3.01Å; D684-E687 WeakPolarHBondContact O-CB 3.08Å; D684-E687 PolarHBondContact O-N 3Å; D684-V688 WeakPolarHBondContact O-CG2 3.06Å; D684-V688 PolarHBondContact O-N 3.11Å
685	L	90.5	Very high	90.3	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-65.3	-39.5	178.7	-64.5	174.4	0	0	0	111.9	W527 L535 V538 L670 L680 Q681 K682 E683 E687 V688 L689	W527-L685 HydrophobicContact CH2-CB 4.24Å; W527-L685 HydrophobicContact CZ3-CB 4.16Å; W527-L685 HydrophobicContact CZ3-CD1 4.39Å; L535-L685 HydrophobicContact CB-CD1 4.43Å; L535-L685 HydrophobicContact CD2-CD1 3.53Å; L535-L685 HydrophobicContact CG-CD1 3.62Å; V538-L685 HydrophobicContact CG2-CD1 4.44Å; V538-L685 HydrophobicContact CG2-CD2 4.35Å; L670-L685 HydrophobicContact CD1-CD2 3.63Å; L670-L685 HydrophobicContact CD2-CD2 4.37Å; L680-L685 HydrophobicContact CB-CD2 4.3Å; L680-L685 HydrophobicContact CD1-CD2 4.42Å; Q681-L685 WeakPolarHBondContact O-CG 3.34Å; Q681-L685 PolarHBondContact O-N 2.95Å; K682-L685 WeakPolarHBondContact O-CB 3.21Å; K682-L685 PolarHBondContact O-N 3.32Å; E683-L685 VanDerWaalsContact C-N 3.31Å; E683-L685 PolarHBondContact O-N 3.31Å; L685-E687 VanDerWaalsContact C-N 3.34Å; L685-V688 PolarHBondContact O-N 3.41Å; L685-L689 VanDerWaalsContact O-CB 3.28Å; L685-L689 WeakPolarHBondContact O-CB 3.32Å; L685-L689 WeakPolarHBondContact O-CG 3.47Å; L685-L689 PolarHBondContact O-N 2.88Å
686	I	91.9	Very high	89.4	Confident	72 Å²	72	65 Å²	65	37%	0.369	34%	0.341	S	S	.	.	H	α-helix	trans	-66.7	-36.5	176.1	-66.5	163.8	0	0	0	110.9	W527 K682 E683 V688 G690	W527-I686 HydrophobicContact CH2-CG1 3.76Å; W527-I686 HydrophobicContact CZ2-CG1 3.9Å; K682-I686 HydrophobicContact CG-CD1 4.08Å; K682-I686 VanDerWaalsContact O-CG1 3.32Å; K682-I686 WeakPolarHBondContact O-CG1 3.12Å; K682-I686 PolarHBondContact O-N 3.24Å; E683-I686 PolarHBondContact O-N 3.34Å; I686-V688 VanDerWaalsContact C-N 3.34Å; I686-V688 PolarHBondContact O-N 3.45Å; I686-G690 CarbonylContact O-C 3.51Å; I686-G690 WeakPolarHBondContact O-CA 3.11Å; I686-G690 PolarHBondContact O-N 3.42Å
687	E	92.7	Very high	88.3	Confident	143 Å²	143	63.7 Å²	63.7	67%	0.668	33%	0.329	S	S	*	.	H	α-helix	trans	-60.6	-40.8	175	-170.9	-178.2	-163.9	0	0	112	E683 D684 L685	E683-E687 PolarHBondContact O-N 3.22Å; D684-E687 WeakPolarHBondContact O-CB 3.08Å; D684-E687 PolarHBondContact O-N 3Å; L685-E687 VanDerWaalsContact C-N 3.34Å
688	V	91.8	Very high	87.1	Confident	18 Å²	18	60.9 Å²	60.9	11%	0.109	32%	0.321	C	S	.	.	H	α-helix	trans	-83.4	-44.8	-177.8	180	0	0	0	0	113.4	K669 L670 D684 L685 I686	K669-V688 HydrophobicContact CB-CG1 3.99Å; L670-V688 HydrophobicContact CB-CG1 4.1Å; L670-V688 HydrophobicContact CD1-CB 4.29Å; L670-V688 HydrophobicContact CD1-CG1 4.14Å; L670-V688 HydrophobicContact CD1-CG2 4.38Å; D684-V688 WeakPolarHBondContact O-CG2 3.06Å; D684-V688 PolarHBondContact O-N 3.11Å; L685-V688 PolarHBondContact O-N 3.41Å; I686-V688 VanDerWaalsContact C-N 3.34Å; I686-V688 PolarHBondContact O-N 3.45Å
689	L	91.8	Very high	86.1	Confident	15 Å²	15	60 Å²	60	8%	0.079	32%	0.321	C	S	.	.	H	α-helix	trans	-98.2	-12.1	-168.6	-55.4	178	0	0	0	113.2	V524 W527 L666 L670 L685	V524-L689 HydrophobicContact CG2-CD2 3.92Å; W527-L689 HydrophobicContact CB-CD1 4.03Å; W527-L689 HydrophobicContact CD2-CB 4.49Å; W527-L689 HydrophobicContact CD2-CD1 3.81Å; W527-L689 HydrophobicContact CE3-CD1 4.29Å; W527-L689 HydrophobicContact CG-CB 4.36Å; W527-L689 HydrophobicContact CG-CD1 3.68Å; L666-L689 HydrophobicContact CB-CD2 3.94Å; L666-L689 HydrophobicContact CD1-CD2 4.43Å; L670-L689 HydrophobicContact CD2-CD1 4.48Å; L685-L689 VanDerWaalsContact O-CB 3.28Å; L685-L689 WeakPolarHBondContact O-CB 3.32Å; L685-L689 WeakPolarHBondContact O-CG 3.47Å; L685-L689 PolarHBondContact O-N 2.88Å
690	G	91.4	Very high	85.2	Confident	25 Å²	25	56.7 Å²	56.7	26%	0.258	31%	0.306	S	S	.	.			trans	74.8	176.9	-165.6	0	0	0	0	0	112.4	W527 I686	W527-G690 WeakPolarHBondContact CZ2-O 3.15Å; W527-G690 PolarHBondContact NE1-O 3.27Å; I686-G690 CarbonylContact O-C 3.51Å; I686-G690 WeakPolarHBondContact O-CA 3.11Å; I686-G690 PolarHBondContact O-N 3.42Å
691	P	89	Confident	84.6	Confident	111 Å²	111	60.7 Å²	60.7	72%	0.721	33%	0.325	S	S	*	.	S	Bend	trans	-59	142.8	174.6	26.8	-34.8	0	0	0	110.8
692	R	88.8	Confident	83.9	Confident	25 Å²	25	61.8 Å²	61.8	9%	0.094	33%	0.33	C	S	.	.			trans	-60.7	134.1	177	-165.4	178.1	179.1	-172	-5.4	109.4	G526 W527 L529 C532 F694 E696	G526-R692 PolarHBondContact O-NH2 3.46Å; W527-R692 HydrophobicContact CD2-CB 4.35Å; W527-R692 HydrophobicContact CD2-CG 4.33Å; W527-R692 HydrophobicContact CG-CG 4.45Å; W527-R692 HydrophobicContact CZ2-CB 4Å; W527-R692 VanDerWaalsContact O-CG 3.31Å; W527-R692 WeakPolarHBondContact O-CG 3.47Å; W527-R692 PolarHBondContact O-NE 3.09Å; W527-R692 VanDerWaalsContact O-NE 3.1Å; L529-R692 PolarHBondContact O-NH2 3.48Å; C532-R692 PolarHBondContact O-NH1 3.02Å; C532-R692 VanDerWaalsContact O-NH1 3.16Å; C532-R692 PolarHBondContact O-NH2 3.16Å; R692-F694 PolarHBondContact O-N 2.99Å; R692-E696 VanDerWaalsContact CD-CD 3.48Å; R692-E696 WeakPolarHBondContact CD-OE1 3.36Å; R692-E696 IonicContact CZ-OE1 2.78Å; R692-E696 IonicContact NE-OE1 3.67Å; R692-E696 IonicContact NH1-OE1 3.82Å; R692-E696 PolarHBondContact NH1-OE1 2.87Å
693	P	88.5	Confident	83.2	Confident	78 Å²	78	62.8 Å²	62.8	51%	0.506	34%	0.336	S	S	.	.	S	Bend	trans	-71.7	5.5	-178.8	28.4	-35.3	0	0	0	114.5	F528	F528-P693 HydrophobicContact CD1-CG 4.09Å; F528-P693 HydrophobicContact CE1-CG 4.46Å
694	F	88.3	Confident	82.6	Confident	66 Å²	66	58.4 Å²	58.4	29%	0.289	32%	0.318	S	S	.	.	S	Bend	trans	-129.8	147	-178.6	-56.2	-71.9	0	0	0	110.1	E530 R692 E696	E530-F694 HydrophobicContact CB-CD1 3.87Å; E530-F694 HydrophobicContact CB-CD2 4.31Å; E530-F694 HydrophobicContact CB-CE1 3.62Å; E530-F694 HydrophobicContact CB-CE2 4.09Å; E530-F694 HydrophobicContact CB-CG 4.2Å; E530-F694 HydrophobicContact CB-CZ 3.74Å; E530-F694 HydrophobicContact CG-CD1 3.63Å; E530-F694 HydrophobicContact CG-CE1 3.77Å; E530-F694 HydrophobicContact CG-CG 4.14Å; E530-F694 HydrophobicContact CG-CZ 4.39Å; R692-F694 PolarHBondContact O-N 2.99Å; F694-E696 PolarHBondContact O-N 3.13Å
695	V	79.5	Confident	81.6	Confident	143 Å²	143	57.9 Å²	57.9	87%	0.867	32%	0.319	S	S	*	.			trans	-65.9	123.9	-178.9	-176.3	0	0	0	0	110.3
696	E	74.4	Confident	80.5	Confident	36 Å²	36	64.9 Å²	64.9	17%	0.168	37%	0.365	C	S	.	.			trans	-112.1	154.9	172.7	-65.5	-167.2	143.1	0	0	111.6	P534 K682 R692 F694	P534-E696 WeakPolarHBondContact CA-OE1 3.24Å; P534-E696 VanDerWaalsContact CB-OE1 3.25Å; P534-E696 WeakPolarHBondContact CB-OE1 3.36Å; P534-E696 HydrophobicContact CG-CG 4.31Å; K682-E696 WeakPolarHBondContact CE-OE2 3.4Å; K682-E696 IonicContact NZ-OE2 2.69Å; K682-E696 PolarHBondContact NZ-OE2 2.82Å; R692-E696 VanDerWaalsContact CD-CD 3.48Å; R692-E696 WeakPolarHBondContact CD-OE1 3.36Å; R692-E696 IonicContact CZ-OE1 2.78Å; R692-E696 IonicContact NE-OE1 3.67Å; R692-E696 IonicContact NH1-OE1 3.82Å; R692-E696 PolarHBondContact NH1-OE1 2.87Å; F694-E696 PolarHBondContact O-N 3.13Å
697	K	70.7	Confident	79.3	Confident	114 Å²	114	63.8 Å²	63.8	50%	0.496	37%	0.371	S	S	.	.			trans	-112.2	125.3	158.6	-64.8	172	162.5	-155.7	0	106.7	E702 L703	K697-E702 HydrophobicContact CB-CB 3.99Å; K697-E702 VanDerWaalsContact CD-O 3.23Å; K697-E702 WeakPolarHBondContact CD-O 3.3Å; K697-E702 WeakPolarHBondContact CE-O 3.39Å; K697-E702 HydrophobicContact CG-CB 4.22Å; K697-E702 PolarHBondContact NZ-O 2.77Å; K697-L703 HydrophobicContact CB-CD2 3.77Å; K697-L703 HydrophobicContact CB-CG 4.23Å
698	S	66.3	Low	78.5	Confident	38 Å²	38	59.1 Å²	59.1	27%	0.266	35%	0.354	S	S	.	.			trans	-135.3	-28.8	-179.3	42.4	0	0	0	0	114.2	K682 E702	K682-S698 PolarHBondContact NZ-OG 2.91Å; S698-E702 PolarHBondContact N-OE2 3.36Å
699	T	70.7	Confident	77.8	Confident	65 Å²	65	61.8 Å²	61.8	40%	0.399	37%	0.367	S	S	.	.	S	Bend	trans	-79.3	151.2	175.8	-37.3	0	0	0	0	109.7	E701 E702 L703	T699-E701 VanDerWaalsContact CG2-OE2 3.31Å; T699-E701 WeakPolarHBondContact CG2-OE2 3.36Å; T699-E701 PolarHBondContact O-N 3.41Å; T699-E702 WeakPolarHBondContact CB-OE1 3.39Å; T699-E702 PolarHBondContact N-OE2 2.98Å; T699-E702 WeakPolarHBondContact O-CB 3.23Å; T699-E702 PolarHBondContact O-N 3.35Å; T699-E702 VanDerWaalsContact O-N 3.09Å; T699-E702 PolarHBondContact OG1-OE1 3.45Å; T699-E702 PolarHBondContact OG1-OE2 3.2Å; T699-L703 WeakPolarHBondContact O-CG 3.35Å; T699-L703 PolarHBondContact O-N 2.89Å
700	Y	72.8	Confident	77.1	Confident	6 Å²	6	63.8 Å²	63.8	2%	0.024	38%	0.378	C	S	.	.	H	α-helix	trans	-53.3	-44.9	179.4	174.9	-87.2	0	0	0	111.5	I426 A430 R451 A454 E702 L703 V704 L709	I426-Y700 HydrophobicContact CD1-CD2 3.68Å; I426-Y700 HydrophobicContact CD1-CE2 4.24Å; I426-Y700 HydrophobicContact CD1-CG 4.38Å; I426-Y700 HydrophobicContact CG1-CD2 3.69Å; I426-Y700 HydrophobicContact CG1-CE2 3.81Å; A430-Y700 HydrophobicContact CB-CE2 3.92Å; R451-Y700 HydrophobicContact CB-CD1 4.27Å; R451-Y700 HydrophobicContact CB-CD2 4.17Å; R451-Y700 HydrophobicContact CB-CG 4Å; R451-Y700 HydrophobicContact CG-CD1 4.01Å; R451-Y700 HydrophobicContact CG-CD2 4.28Å; R451-Y700 HydrophobicContact CG-CE1 4.02Å; R451-Y700 HydrophobicContact CG-CE2 4.28Å; R451-Y700 HydrophobicContact CG-CG 4.17Å; A454-Y700 HydrophobicContact CB-CD2 4.45Å; Y700-E702 PolarHBondContact O-N 2.85Å; Y700-L703 PolarHBondContact O-N 3.11Å; Y700-V704 HydrophobicContact CD1-CG2 4.23Å; Y700-V704 HydrophobicContact CE1-CG2 3.8Å; Y700-V704 HydrophobicContact CE2-CG2 4.27Å; Y700-V704 WeakPolarHBondContact O-CG2 3.14Å; Y700-V704 PolarHBondContact O-N 2.88Å; Y700-L709 VanDerWaalsContact CE1-O 3.27Å; Y700-L709 WeakPolarHBondContact CE1-O 3.35Å; Y700-L709 PolarHBondContact OH-O 3.12Å
701	E	78.3	Confident	76.4	Confident	83 Å²	83	64.3 Å²	64.3	39%	0.388	37%	0.374	S	S	.	.	H	α-helix	trans	-62.8	-38.2	178.8	-66.7	69	-155.6	0	0	112.3	T699 G705 L709	T699-E701 VanDerWaalsContact CG2-OE2 3.31Å; T699-E701 WeakPolarHBondContact CG2-OE2 3.36Å; T699-E701 PolarHBondContact O-N 3.41Å; E701-G705 PolarHBondContact O-N 3.11Å; E701-G705 VanDerWaalsContact O-N 3.09Å; E701-L709 HydrophobicContact CG-CD2 4.13Å
702	E	77.1	Confident	75.6	Confident	81 Å²	81	64.1 Å²	64.1	38%	0.379	37%	0.367	S	S	.	.	H	α-helix	trans	-70.4	-38.6	176.8	-65.9	160.7	-163.3	0	0	112.3	K697 S698 T699 Y700	K697-E702 HydrophobicContact CB-CB 3.99Å; K697-E702 VanDerWaalsContact CD-O 3.23Å; K697-E702 WeakPolarHBondContact CD-O 3.3Å; K697-E702 WeakPolarHBondContact CE-O 3.39Å; K697-E702 HydrophobicContact CG-CB 4.22Å; K697-E702 PolarHBondContact NZ-O 2.77Å; S698-E702 PolarHBondContact N-OE2 3.36Å; T699-E702 WeakPolarHBondContact CB-OE1 3.39Å; T699-E702 PolarHBondContact N-OE2 2.98Å; T699-E702 WeakPolarHBondContact O-CB 3.23Å; T699-E702 PolarHBondContact O-N 3.35Å; T699-E702 VanDerWaalsContact O-N 3.09Å; T699-E702 PolarHBondContact OG1-OE1 3.45Å; T699-E702 PolarHBondContact OG1-OE2 3.2Å; Y700-E702 PolarHBondContact O-N 2.85Å
703	L	72.4	Confident	74.8	Confident	49 Å²	49	67.5 Å²	67.5	26%	0.257	39%	0.39	S	S	.	.	H	α-helix	trans	-69.9	-41.6	179.6	-71.8	167.8	0	0	0	111.3	I426 K697 T699 Y700	I426-L703 HydrophobicContact CD1-CB 3.67Å; I426-L703 HydrophobicContact CD1-CD1 3.6Å; I426-L703 HydrophobicContact CD1-CG 4.27Å; K697-L703 HydrophobicContact CB-CD2 3.77Å; K697-L703 HydrophobicContact CB-CG 4.23Å; T699-L703 WeakPolarHBondContact O-CG 3.35Å; T699-L703 PolarHBondContact O-N 2.89Å; Y700-L703 PolarHBondContact O-N 3.11Å
704	V	75.3	Confident	74.1	Confident	28 Å²	28	68.6 Å²	68.6	17%	0.17	40%	0.4	C	S	.	.	H	α-helix	trans	-68.7	-35.4	174.9	171.6	0	0	0	0	112.2	I426 K427 Y700 S708	I426-V704 HydrophobicContact CG2-CG2 3.82Å; K427-V704 HydrophobicContact CG-CG2 4.19Å; Y700-V704 HydrophobicContact CD1-CG2 4.23Å; Y700-V704 HydrophobicContact CE1-CG2 3.8Å; Y700-V704 HydrophobicContact CE2-CG2 4.27Å; Y700-V704 WeakPolarHBondContact O-CG2 3.14Å; Y700-V704 PolarHBondContact O-N 2.88Å; V704-S708 WeakPolarHBondContact CG1-O 3.32Å
705	G	72.3	Confident	73.5	Confident	19 Å²	19	67.9 Å²	67.9	20%	0.196	40%	0.399	C	S	.	.			trans	71.4	-160	-179.1	0	0	0	0	0	113.3	E701 G707	E701-G705 PolarHBondContact O-N 3.11Å; E701-G705 VanDerWaalsContact O-N 3.09Å; G705-G707 PolarHBondContact O-N 3Å
706	P	65.7	Low	73.5	Confident	148 Å²	148	63.6 Å²	63.6	96%	0.961	37%	0.374	S	S	*	.	S	Bend	trans	-76.7	19.4	-167.8	33	-37.7	0	0	0	115.3
707	G	67.6	Low	73.5	Confident	48 Å²	48	66.8 Å²	66.8	50%	0.495	40%	0.397	S	S	.	.	S	Bend	trans	-88.9	-170.4	176.7	0	0	0	0	0	113.4	G705	G705-G707 PolarHBondContact O-N 3Å
708	S	76.4	Confident	73.6	Confident	45 Å²	45	63.6 Å²	63.6	32%	0.315	40%	0.397	S	S	.	.			trans	-57.3	138.2	166.7	49.9	0	0	0	0	110.4	K427 V704 D710 D712	K427-S708 WeakPolarHBondContact CE-O 3.23Å; K427-S708 PolarHBondContact NZ-O 3.21Å; K427-S708 PolarHBondContact NZ-OG 3.35Å; V704-S708 WeakPolarHBondContact CG1-O 3.32Å; S708-D710 VanDerWaalsContact C-N 3.31Å; S708-D710 PolarHBondContact O-N 2.87Å; S708-D710 PolarHBondContact OG-O 3.15Å; S708-D712 VanDerWaalsContact CB-OD1 3.24Å; S708-D712 WeakPolarHBondContact CB-OD1 3.43Å; S708-D712 PolarHBondContact OG-OD1 3.17Å; S708-D712 PolarHBondContact OG-OD2 3.24Å; S708-D712 VanDerWaalsContact OG-OD2 3.07Å
709	L	76.4	Confident	74	Confident	74 Å²	74	62.5 Å²	62.5	39%	0.387	39%	0.388	S	S	.	.	S	Bend	trans	-73.5	-23.6	-179.8	-74.1	174.3	0	0	0	113.4	Y700 E701	Y700-L709 VanDerWaalsContact CE1-O 3.27Å; Y700-L709 WeakPolarHBondContact CE1-O 3.35Å; Y700-L709 PolarHBondContact OH-O 3.12Å; E701-L709 HydrophobicContact CG-CD2 4.13Å
710	D	77.8	Confident	74	Confident	58 Å²	58	65.8 Å²	65.8	31%	0.31	40%	0.397	S	S	.	.	S	Bend	trans	-112.2	178.5	178.7	-66.8	-79.8	0	0	0	110.5	K427 K434 R451 S708	K427-D710 WeakPolarHBondContact CD-O 3.38Å; K427-D710 WeakPolarHBondContact CE-O 3.48Å; K427-D710 PolarHBondContact NZ-O 3.16Å; K434-D710 IonicContact NZ-OD1 3.11Å; K434-D710 PolarHBondContact NZ-OD1 3.23Å; R451-D710 IonicContact NH2-OD1 2.7Å; R451-D710 PolarHBondContact NH2-OD1 2.67Å; R451-D710 IonicContact NH2-OD2 2.73Å; R451-D710 PolarHBondContact NH2-OD2 3.38Å; S708-D710 VanDerWaalsContact C-N 3.31Å; S708-D710 PolarHBondContact O-N 2.87Å; S708-D710 PolarHBondContact OG-O 3.15Å
711	E	75.9	Confident	73.5	Confident	36 Å²	36	69.7 Å²	69.7	17%	0.168	42%	0.418	C	S	.	.			trans	-79.1	131.4	-177.9	-168.2	167.3	-153.7	0	0	110.9	G259 E261 K427 S431 V713	G259-E711 WeakPolarHBondContact CA-OE1 3.29Å; G259-E711 PolarHBondContact N-OE1 2.76Å; E261-E711 HydrophobicContact CG-CG 3.81Å; K427-E711 HydrophobicContact CB-CB 4.27Å; S431-E711 WeakPolarHBondContact CB-OE2 3.46Å; S431-E711 PolarHBondContact OG-OE2 3.15Å; E711-V713 WeakPolarHBondContact O-CG2 3.43Å; E711-V713 PolarHBondContact O-N 3.04Å
712	D	72.7	Confident	72.9	Confident	106 Å²	106	66.9 Å²	66.9	57%	0.567	40%	0.404	S	S	*	.			trans	-81.9	83.9	-173.3	-64.3	-31	0	0	0	111.2	S708 S714	S708-D712 VanDerWaalsContact CB-OD1 3.24Å; S708-D712 WeakPolarHBondContact CB-OD1 3.43Å; S708-D712 PolarHBondContact OG-OD1 3.17Å; S708-D712 PolarHBondContact OG-OD2 3.24Å; S708-D712 VanDerWaalsContact OG-OD2 3.07Å; D712-S714 PolarHBondContact O-N 3.46Å
713	V	72.8	Confident	72.2	Confident	97 Å²	97	67.7 Å²	67.7	59%	0.588	41%	0.411	S	S	*	.			trans	-76.5	30.2	-178.9	-156.8	0	0	0	0	113	E711	E711-V713 WeakPolarHBondContact O-CG2 3.43Å; E711-V713 PolarHBondContact O-N 3.04Å
714	S	73.5	Confident	71.7	Confident	101 Å²	101	72.3 Å²	72.3	71%	0.706	43%	0.429	S	S	*	.	P	Polyproline II helix	trans	-86.1	117.3	-173.1	68.5	0	0	0	0	112.3	D712	D712-S714 PolarHBondContact O-N 3.46Å
715	L	75.9	Confident	70.6	Confident	51 Å²	51	79.4 Å²	79.4	27%	0.267	46%	0.46	S	S	.	.	P	Polyproline II helix	trans	-80.8	142.3	-178.5	-61.2	177.2	0	0	0	112.8	L265 I268 L719 K720 W722	L265-L715 HydrophobicContact CD1-CD2 4.48Å; I268-L715 HydrophobicContact CD1-CD2 3.76Å; L715-L719 WeakPolarHBondContact CD1-O 3.24Å; L715-K720 WeakPolarHBondContact O-CE 3.39Å; L715-W722 VanDerWaalsContact CD1-NE1 3.34Å
716	P	79	Confident	69.5	Low	53 Å²	53	82.7 Å²	82.7	34%	0.344	48%	0.478	S	S	.	.	P	Polyproline II helix	trans	-57.5	152.4	172.7	-26.3	35.5	0	0	0	112.9	L265 G718 L719 K720	L265-P716 VanDerWaalsContact CD1-CD 3.43Å; L265-P716 HydrophobicContact CD1-CG 3.78Å; L265-P716 HydrophobicContact CD2-CG 4.32Å; P716-G718 VanDerWaalsContact C-N 3.32Å; P716-G718 PolarHBondContact O-N 2.98Å; P716-G718 VanDerWaalsContact O-N 3.15Å; P716-L719 CarbonylContact O-C 3.34Å; P716-L719 WeakPolarHBondContact O-CA 3.38Å; P716-L719 PolarHBondContact O-N 3.14Å; P716-K720 PolarHBondContact O-N 3.21Å
717	P	74.4	Confident	68.3	Low	102 Å²	102	82 Å²	82	66%	0.662	47%	0.466	S	S	*	.	G	3₁₀ helix	trans	-50.6	-44.4	-174.5	-28.6	35.3	0	0	0	115	L719 K720	P717-L719 PolarHBondContact O-N 3.29Å; P717-L719 VanDerWaalsContact O-N 3.12Å; P717-K720 PolarHBondContact O-N 2.78Å
718	G	72.8	Confident	67.1	Low	48 Å²	48	84.9 Å²	84.9	50%	0.495	48%	0.479	S	S	.	.	G	3₁₀ helix	trans	-66.3	-11.7	179.4	0	0	0	0	0	115.2	K279 P716	K279-G718 PolarHBondContact NZ-O 3.45Å; K279-G718 VanDerWaalsContact NZ-O 3.11Å; P716-G718 VanDerWaalsContact C-N 3.32Å; P716-G718 PolarHBondContact O-N 2.98Å; P716-G718 VanDerWaalsContact O-N 3.15Å
719	L	74.9	Confident	65.4	Low	15 Å²	15	91.6 Å²	91.6	8%	0.079	50%	0.503	C	S	.	.	G	3₁₀ helix	trans	-120.2	19.2	179.2	-66.2	176.8	0	0	0	112.1	L265 I268 N272 L715 P716 P717	L265-L719 HydrophobicContact CD1-CD1 3.93Å; I268-L719 HydrophobicContact CB-CD1 4.5Å; I268-L719 HydrophobicContact CG2-CB 4.42Å; I268-L719 HydrophobicContact CG2-CD1 3.91Å; I268-L719 HydrophobicContact CG2-CD2 3.85Å; I268-L719 HydrophobicContact CG2-CG 4.27Å; N272-L719 HydrophobicContact CB-CD2 3.87Å; L715-L719 WeakPolarHBondContact CD1-O 3.24Å; P716-L719 CarbonylContact O-C 3.34Å; P716-L719 WeakPolarHBondContact O-CA 3.38Å; P716-L719 PolarHBondContact O-N 3.14Å; P717-L719 PolarHBondContact O-N 3.29Å; P717-L719 VanDerWaalsContact O-N 3.12Å
720	K	69.8	Low	63.8	Low	133 Å²	133	91.5 Å²	91.5	58%	0.578	51%	0.508	S	S	*	.	S	Bend	trans	-79.7	-34.7	173.3	-72.1	-177.5	-178.3	-177.6	0	112.8	L715 P716 P717	L715-K720 WeakPolarHBondContact O-CE 3.39Å; P716-K720 PolarHBondContact O-N 3.21Å; P717-K720 PolarHBondContact O-N 2.78Å
721	D	63.2	Low	62.1	Low	89 Å²	89	97.7 Å²	97.7	48%	0.476	53%	0.532	S	S	.	.	S	Bend	trans	-101.1	8.3	-175.2	-58.9	-60.2	0	0	0	114	N723 K724	D721-N723 PolarHBondContact O-N 2.98Å; D721-K724 HydrophobicContact CB-CD 4.26Å; D721-K724 PolarHBondContact O-N 3.15Å; D721-K724 WeakPolarHBondContact OD1-CD 3.21Å; D721-K724 VanDerWaalsContact OD1-CE 3.24Å; D721-K724 WeakPolarHBondContact OD1-CE 3.47Å; D721-K724 IonicContact OD1-NZ 2.67Å; D721-K724 PolarHBondContact OD1-NZ 2.92Å
722	W	64.7	Low	60.5	Low	24 Å²	24	100.4 Å²	100.4	9%	0.091	56%	0.561	C	S	.	*	T	Hydrogen-bonded Turn	trans	-56.9	-20.5	-177.8	76.9	-75.9	0	0	0	114.9	F254 I268 V271 N272 K275 E311 L715	F254-W722 AromaticContact CD2-CH2 3.97Å; F254-W722 HydrophobicContact CD2-CH2 3.97Å; F254-W722 HydrophobicContact CD2-CZ2 4.28Å; F254-W722 HydrophobicContact CE2-CH2 4.15Å; I268-W722 HydrophobicContact CG2-CD2 4.35Å; I268-W722 HydrophobicContact CG2-CG 4.37Å; V271-W722 HydrophobicContact CB-CZ3 4.46Å; V271-W722 HydrophobicContact CG1-CE3 3.76Å; V271-W722 HydrophobicContact CG1-CZ3 3.47Å; V271-W722 VanDerWaalsContact CG1-CZ3 3.47Å; N272-W722 HydrophobicContact CB-CB 4.21Å; K275-W722 HydrophobicContact CD-CE3 4.42Å; K275-W722 VanDerWaalsContact CD-O 3.23Å; K275-W722 WeakPolarHBondContact CD-O 3.43Å; K275-W722 VanDerWaalsContact NZ-CZ3 3.35Å; E311-W722 HydrophobicContact CB-CH2 3.94Å; E311-W722 HydrophobicContact CB-CZ3 4.02Å; E311-W722 HydrophobicContact CG-CH2 4.22Å; E311-W722 WeakPolarHBondContact OE2-CH2 3.42Å; L715-W722 VanDerWaalsContact CD1-NE1 3.34Å
723	N	63.7	Low	58.6	Low	98 Å²	98	102.9 Å²	102.9	52%	0.524	59%	0.587	S	S	.	*	T	Hydrogen-bonded Turn	trans	-109.8	10	-179.7	-151.8	22.5	0	0	0	113.9	K275 D721	K275-N723 PolarHBondContact NZ-OD1 3.03Å; D721-N723 PolarHBondContact O-N 2.98Å
724	K	60.1	Low	57.9	Low	145 Å²	145	103.2 Å²	103.2	63%	0.63	59%	0.586	S	S	*	*	S	Bend	trans	-91.3	133.1	168	-66.5	179.6	-176.5	164.6	0	108.6	D721	D721-K724 HydrophobicContact CB-CD 4.26Å; D721-K724 PolarHBondContact O-N 3.15Å; D721-K724 WeakPolarHBondContact OD1-CD 3.21Å; D721-K724 VanDerWaalsContact OD1-CE 3.24Å; D721-K724 WeakPolarHBondContact OD1-CE 3.47Å; D721-K724 IonicContact OD1-NZ 2.67Å; D721-K724 PolarHBondContact OD1-NZ 2.92Å
725	E	53.9	Low	57.1	Low	177 Å²	177	103.3 Å²	103.3	83%	0.827	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-63.4	141.3	165.3	-65.8	-174.4	161.9	0	0	108.9	D727	E725-D727 PolarHBondContact O-N 3.28Å
726	P	48.5	Very low	56	Low	88 Å²	88	106.2 Å²	106.2	57%	0.571	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-65.2	122	177.7	25.9	-32.9	0	0	0	109.7	S728	P726-S728 PolarHBondContact O-N 2.93Å; P726-S728 VanDerWaalsContact O-N 3.15Å
727	D	40.5	Very low	54.7	Low	133 Å²	133	109.3 Å²	109.3	71%	0.711	61%	0.612	S	S	*	*	P	Polyproline II helix	trans	-48.1	121.8	179.3	-89.5	-42.7	0	0	0	110.9	E725 K729 S730	E725-D727 PolarHBondContact O-N 3.28Å; D727-K729 PolarHBondContact O-N 3.19Å; D727-S730 PolarHBondContact O-N 3.35Å; D727-S730 PolarHBondContact O-OG 2.96Å
728	S	42.6	Very low	53.4	Low	109 Å²	109	109.8 Å²	109.8	76%	0.762	61%	0.609	S	S	*	*	G	3₁₀ helix	trans	-61.1	-11.8	-174.5	55.9	0	0	0	0	114.1	P726 S730	P726-S728 PolarHBondContact O-N 2.93Å; P726-S728 VanDerWaalsContact O-N 3.15Å; S728-S730 VanDerWaalsContact C-N 3.32Å
729	K	40.6	Very low	52.1	Low	186 Å²	186	113.9 Å²	113.9	81%	0.809	62%	0.617	S	S	*	*	G	3₁₀ helix	trans	-71.7	-18.9	173	-67.1	-178.7	177.3	177.3	0	114.2	D727	D727-K729 PolarHBondContact O-N 3.19Å
730	S	43.3	Very low	50.5	Low	72 Å²	72	120.9 Å²	120.9	50%	0.503	66%	0.655	S	S	.	*	G	3₁₀ helix	trans	-82	-12.1	-178.3	60.9	0	0	0	0	115	D727 S728	D727-S730 PolarHBondContact O-N 3.35Å; D727-S730 PolarHBondContact O-OG 2.96Å; S728-S730 VanDerWaalsContact C-N 3.32Å
731	K	40.7	Very low	49	Very low	188 Å²	188	120 Å²	120	82%	0.817	66%	0.661	S	S	*	*	G	3₁₀ helix	trans	-96.6	9.7	177.3	-75.1	-175.7	174.1	178.1	0	113.9
732	A	42.1	Very low	47.8	Very low	94 Å²	94	122.6 Å²	122.6	78%	0.777	68%	0.677	S	S	*	*			trans	-115.8	14.4	-178.1	0	0	0	0	0	113.2
733	S	33.3	Very low	46.3	Very low	157 Å²	157	131.5 Å²	131.5	100%	1.098	73%	0.73	S	S	*	*			trans	-135.2	0	177.6	59.7	0	0	0	0	109.6

Retrieved 733 of 733 residues in 1467.8 ms (Link to these results)

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