A0A087XB48_POEFO Loading...

DENN/MADD domain containing 2C

AlphaFold DB , UniProt , Accession A0A087XB48, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 657 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	R	35.8	Very low	28.9	Very low	307 Å²	307	176.1 Å²	176.1	100%	1.158	83%	0.834	S	S	*	*				0	123.4	0	-73.9	178.9	173.3	173.4	-2.8	107.1
2	K	31.4	Very low	28.7	Very low	199 Å²	199	176.2 Å²	176.2	87%	0.865	84%	0.842	S	S	*	*			cis	-113.6	145.6	-1.5	-64.9	178.1	178.4	179.3	0	110.1
3	S	25.2	Very low	28.4	Very low	97 Å²	97	172.2 Å²	172.2	68%	0.678	84%	0.836	S	S	*	*			trans	-84.6	164.6	162	40.8	0	0	0	0	110.1
4	F	26.7	Very low	28.1	Very low	196 Å²	196	166.4 Å²	166.4	86%	0.86	83%	0.83	S	S	*	*			trans	-148.1	125	151.6	-108.7	-76.4	0	0	0	108.8
5	E	28.9	Very low	27.9	Very low	167 Å²	167	168.2 Å²	168.2	78%	0.78	84%	0.835	S	S	*	*			trans	-108.1	152.9	170.7	-64.1	156.3	126.2	0	0	107.6
6	Y	28.2	Very low	27.9	Very low	200 Å²	200	169.9 Å²	169.9	78%	0.784	84%	0.84	S	S	*	*			trans	-170.9	97.1	155.4	-119	-80.6	0	0	0	106
7	E	28.5	Very low	27.7	Very low	163 Å²	163	164.3 Å²	164.3	76%	0.762	84%	0.836	S	S	*	*				92.9	134.5	70.3	-164.4	174.8	-107.6	0	0	111.7
8	D	29.4	Very low	27.5	Very low	157 Å²	157	162.4 Å²	162.4	84%	0.84	83%	0.834	S	S	*	*			trans	-80.9	152.4	-168.8	-91.1	-57.1	0	0	0	114.4
9	A	28.9	Very low	27.4	Very low	105 Å²	105	161.4 Å²	161.4	87%	0.868	84%	0.835	S	S	*	*			trans	-141	100.7	164.8	0	0	0	0	0	111.5
10	T	29	Very low	27.3	Very low	116 Å²	116	157.3 Å²	157.3	71%	0.712	83%	0.834	S	S	*	*			trans	-107.6	160.3	173	56.3	0	0	0	0	112.1
11	R	26	Very low	27.2	Very low	230 Å²	230	156.6 Å²	156.6	87%	0.868	83%	0.831	S	S	*	*			trans	91.6	115.2	168.2	-52.8	174.2	-178.4	-154.6	-1.6	117.7
12	L	25.9	Very low	26.6	Very low	177 Å²	177	153.5 Å²	153.5	93%	0.927	82%	0.82	S	S	*	*			trans	-146.5	153.4	130.9	-103.9	169.6	0	0	0	107.7
13	T	24.6	Very low	26.3	Very low	124 Å²	124	152.2 Å²	152.2	76%	0.761	82%	0.816	S	S	*	*			trans	-145.3	155	-164	-39.2	0	0	0	0	112
14	A	25	Very low	26.3	Very low	92 Å²	92	154.5 Å²	154.5	76%	0.76	83%	0.826	S	S	*	*			trans	74.5	158.7	175.4	0	0	0	0	0	114.4
15	Q	25	Very low	26.1	Very low	193 Å²	193	153.5 Å²	153.5	90%	0.902	82%	0.824	S	S	*	*			cis	-131.7	168.6	16.6	-66.7	174.7	-22.7	0	0	113.8
16	Q	27.3	Very low	26.7	Very low	195 Å²	195	150 Å²	150	91%	0.911	82%	0.816	S	S	*	*			trans	-91.3	155	166.4	-70.5	175.8	-43.3	0	0	111.2
17	G	24.3	Very low	26.4	Very low	75 Å²	75	146.2 Å²	146.2	77%	0.773	81%	0.809	S	S	*	*			trans	-145.2	155	168.4	0	0	0	0	0	110.3
18	T	24.1	Very low	26.3	Very low	131 Å²	131	146.4 Å²	146.4	80%	0.804	81%	0.814	S	S	*	*			trans	-141.9	157.5	-156.2	-36.9	0	0	0	0	113.5
19	V	27.3	Very low	26.2	Very low	142 Å²	142	148.9 Å²	148.9	86%	0.861	81%	0.813	S	S	*	*			trans	84.6	129.4	165.5	-169.4	0	0	0	0	117.1
20	G	25.3	Very low	26	Very low	79 Å²	79	150.9 Å²	150.9	81%	0.814	80%	0.804	S	S	*	*			trans	174.5	77.5	169.9	0	0	0	0	0	112.8
21	N	23.6	Very low	25.8	Very low	143 Å²	143	150.3 Å²	150.3	77%	0.765	81%	0.811	S	S	*	*			trans	-93.1	137.7	-175.6	-174.9	24.3	0	0	0	113
22	R	24.7	Very low	25.8	Very low	243 Å²	243	147.8 Å²	147.8	92%	0.917	80%	0.803	S	S	*	*			trans	-164.1	137.7	157.5	-113.5	171.6	-167.4	-165.3	2	112.8
23	E	24.5	Very low	25.8	Very low	171 Å²	171	143.1 Å²	143.1	80%	0.799	79%	0.785	S	S	*	*			trans	-95.4	158.8	175	-57.9	163.4	117.8	0	0	111.3
24	V	25.2	Very low	26	Very low	145 Å²	145	144.3 Å²	144.3	88%	0.879	79%	0.787	S	S	*	*				176.4	140.2	125.2	149.7	0	0	0	0	111.4
25	H	23.4	Very low	26.6	Very low	176 Å²	176	146.9 Å²	146.9	82%	0.815	79%	0.788	S	S	*	*			trans	-86.3	178.8	177.1	-92.6	-106.3	0	0	0	112.5
26	P	40.9	Very low	27	Very low	94 Å²	94	144.1 Å²	144.1	61%	0.61	78%	0.779	S	S	*	*			cis	-139.4	-147.7	-36.8	38.9	-18.4	0	0	0	111.8
27	D	22.6	Very low	27.9	Very low	120 Å²	120	141.2 Å²	141.2	64%	0.642	77%	0.768	S	S	*	*			trans	73.1	93.8	157.3	-66.9	-16.2	0	0	0	120.1
28	L	26.2	Very low	28.3	Very low	167 Å²	167	145.8 Å²	145.8	87%	0.874	76%	0.764	S	S	*	*				-148.6	136	126.5	-105.1	169.5	0	0	0	108.8
29	Y	26.2	Very low	28.7	Very low	209 Å²	209	148.5 Å²	148.5	82%	0.82	77%	0.767	S	S	*	*			trans	-87.2	127.4	-170.8	-82.2	-108.9	0	0	0	112.3
30	H	25.5	Very low	28.9	Very low	147 Å²	147	148.8 Å²	148.8	68%	0.681	76%	0.764	S	S	*	*			trans	-69.1	141.5	171.5	-67.7	-98.2	0	0	0	112	Y32	H30-Y32 HydrophobicContact CB-CD2 3.72Å; H30-Y32 HydrophobicContact CB-CE2 3.5Å; H30-Y32 VanDerWaalsContact CB-CE2 3.5Å; H30-Y32 AromaticContact CG-CE2 3.91Å
31	A	25	Very low	29.1	Very low	103 Å²	103	153 Å²	153	85%	0.851	77%	0.766	S	S	*	*			trans	-106.8	98.2	159.9	0	0	0	0	0	108.5
32	Y	25.1	Very low	29.4	Very low	178 Å²	178	152.2 Å²	152.2	70%	0.698	77%	0.766	S	S	*	*			trans	-69.6	143.4	179.9	-81.5	-99.4	0	0	0	111.9	H30	H30-Y32 HydrophobicContact CB-CD2 3.72Å; H30-Y32 HydrophobicContact CB-CE2 3.5Å; H30-Y32 VanDerWaalsContact CB-CE2 3.5Å; H30-Y32 AromaticContact CG-CE2 3.91Å
33	S	26.8	Very low	29.4	Very low	79 Å²	79	148.7 Å²	148.7	55%	0.552	75%	0.754	S	S	*	*			trans	-149.8	91.6	172	176.7	0	0	0	0	107.2	D35	S33-D35 PolarHBondContact O-N 3.35Å
34	D	28.9	Very low	29.5	Very low	148 Å²	148	147.8 Å²	147.8	79%	0.791	76%	0.755	S	S	*	*			trans	-69.7	12.6	-161.2	-61.6	-46.1	0	0	0	116.5
35	D	36.3	Very low	29.6	Very low	147 Å²	147	142.5 Å²	142.5	79%	0.786	73%	0.73	S	S	*	*			trans	-118.1	72.2	175.2	-81.5	-51.2	0	0	0	111.6	S33	S33-D35 PolarHBondContact O-N 3.35Å
36	N	33.4	Very low	29.8	Very low	135 Å²	135	141.2 Å²	141.2	72%	0.722	73%	0.727	S	S	*	*			trans	-161.9	140.6	147.4	-91.3	-64.7	0	0	0	110.2
37	I	46.5	Very low	29.3	Very low	133 Å²	133	144.6 Å²	144.6	68%	0.682	73%	0.728	S	S	*	*			trans	-83.8	143.3	166	-49.8	175.8	0	0	0	107.6
38	Y	33	Very low	29.5	Very low	171 Å²	171	145.9 Å²	145.9	67%	0.671	74%	0.735	S	S	*	*			trans	78	93.7	176.6	-45.7	-72.5	0	0	0	117	Q211	Y38-Q211 PolarHBondContact OH-NE2 2.75Å
39	E	31.6	Very low	29.6	Very low	189 Å²	189	146.6 Å²	146.6	88%	0.883	73%	0.727	S	S	*	*				-130.1	-175.1	116.3	-70.7	-153.8	136	0	0	108.3
40	D	31.5	Very low	29.8	Very low	148 Å²	148	141.6 Å²	141.6	79%	0.791	72%	0.72	S	S	*	*			trans	60.2	87.5	178.8	-64.7	-20.4	0	0	0	118.6
41	I	30.7	Very low	30	Very low	167 Å²	167	145.2 Å²	145.2	86%	0.856	73%	0.729	S	S	*	*			trans	-113.6	111.3	138	-63	179.6	0	0	0	107.2	Y43	I41-Y43 PolarHBondContact O-N 2.9Å
42	V	29.1	Very low	30.2	Very low	126 Å²	126	149.7 Å²	149.7	76%	0.764	73%	0.732	S	S	*	*			trans	-63.4	122.8	171	176.4	0	0	0	0	108.8	D44	V42-D44 PolarHBondContact O-N 3.22Å
43	Y	24.6	Very low	30.4	Very low	169 Å²	169	148.2 Å²	148.2	66%	0.663	74%	0.737	S	S	*	*			trans	-80.3	103	175.3	-173.3	-79	0	0	0	109.2	I41 G45	I41-Y43 PolarHBondContact O-N 2.9Å; Y43-G45 VanDerWaalsContact CE1-O 3.28Å; Y43-G45 WeakPolarHBondContact CE1-O 3.49Å; Y43-G45 PolarHBondContact OH-O 3.23Å
44	D	27.5	Very low	30.6	Very low	153 Å²	153	151.4 Å²	151.4	82%	0.818	75%	0.752	S	S	*	*			trans	-118.8	122	164.9	-162.5	-0.7	0	0	0	108.6	V42	V42-D44 PolarHBondContact O-N 3.22Å
45	G	27.5	Very low	30.5	Very low	34 Å²	34	153.4 Å²	153.4	35%	0.351	75%	0.754	S	S	.	*			trans	163.1	73.2	-158.9	0	0	0	0	0	113.5	Y43 R47	Y43-G45 VanDerWaalsContact CE1-O 3.28Å; Y43-G45 WeakPolarHBondContact CE1-O 3.49Å; Y43-G45 PolarHBondContact OH-O 3.23Å; G45-R47 PolarHBondContact O-N 3.07Å
46	I	27.3	Very low	30.1	Very low	149 Å²	149	155 Å²	155	76%	0.764	76%	0.762	S	S	*	*			trans	-49.9	126.3	175.9	-61.9	166.7	0	0	0	110.5
47	R	30.8	Very low	29.7	Very low	165 Å²	165	154.3 Å²	154.3	62%	0.623	77%	0.768	S	S	*	*			trans	-108.7	101.1	166.7	-74.9	-166.4	-178.6	-148.6	-2.1	109.8	G45 Y49	G45-R47 PolarHBondContact O-N 3.07Å; R47-Y49 HydrophobicContact CB-CD2 4.04Å; R47-Y49 HydrophobicContact CB-CE2 3.75Å; R47-Y49 WeakPolarHBondContact CD-OH 3.46Å; R47-Y49 HydrophobicContact CG-CE2 4.43Å; R47-Y49 PolarHBondContact NH1-OH 3.3Å; R47-Y49 PolarHBondContact O-N 3.21Å
48	D	26.1	Very low	28.8	Very low	147 Å²	147	154 Å²	154	79%	0.786	77%	0.772	S	S	*	*			trans	-71	117	163	-72.3	-45.3	0	0	0	109.7
49	Y	28.5	Very low	28.4	Very low	181 Å²	181	155 Å²	155	71%	0.71	79%	0.785	S	S	*	*			trans	-112.3	104.1	170.3	-71.4	-80.8	0	0	0	109.5	R47	R47-Y49 HydrophobicContact CB-CD2 4.04Å; R47-Y49 HydrophobicContact CB-CE2 3.75Å; R47-Y49 WeakPolarHBondContact CD-OH 3.46Å; R47-Y49 HydrophobicContact CG-CE2 4.43Å; R47-Y49 PolarHBondContact NH1-OH 3.3Å; R47-Y49 PolarHBondContact O-N 3.21Å
50	P	29.8	Very low	28	Very low	104 Å²	104	151.1 Å²	151.1	68%	0.675	78%	0.778	S	S	*	*			trans	-80	147.3	165.6	32.4	-32.3	0	0	0	110.8
51	Y	30.6	Very low	27.8	Very low	224 Å²	224	152.1 Å²	152.1	88%	0.878	78%	0.782	S	S	*	*			trans	75.8	74.9	175.2	-55.3	-76.4	0	0	0	118.4
52	E	28.1	Very low	27.9	Very low	196 Å²	196	148.9 Å²	148.9	92%	0.916	77%	0.772	S	S	*	*				-114.1	123.9	125.3	-76.7	-161.2	159.5	0	0	108.9
53	D	30.4	Very low	27.7	Very low	148 Å²	148	150.4 Å²	150.4	79%	0.791	77%	0.774	S	S	*	*			trans	-169.3	113.4	149	-137.9	-22.7	0	0	0	110.8
54	V	30.2	Very low	27.7	Very low	145 Å²	145	150.9 Å²	150.9	88%	0.879	78%	0.78	S	S	*	*			trans	-177.8	140.7	143.8	149	0	0	0	0	107.8
55	K	27.6	Very low	28.3	Very low	190 Å²	190	149.1 Å²	149.1	83%	0.826	78%	0.777	S	S	*	*			trans	-85.2	147.8	-162.2	-65.8	160.3	-177.1	168.2	0	114.2
56	L	28.4	Very low	28.8	Very low	180 Å²	180	153.6 Å²	153.6	94%	0.942	80%	0.8	S	S	*	*			trans	-67.4	146.8	165.1	-73.3	165.9	0	0	0	111.7
57	S	23.8	Very low	28.9	Very low	122 Å²	122	153.6 Å²	153.6	85%	0.853	80%	0.801	S	S	*	*			trans	-151.6	143.7	163.8	-170.3	0	0	0	0	111.3
58	T	28	Very low	29.4	Very low	125 Å²	125	150 Å²	150	77%	0.767	80%	0.799	S	S	*	*			trans	-98.9	138.5	-175.7	45.8	0	0	0	0	113
59	M	24.3	Very low	29.4	Very low	192 Å²	192	153 Å²	153	95%	0.946	81%	0.805	S	S	*	*			trans	-152.5	163.1	155.9	-96.5	-60.1	169.7	0	0	110.3
60	C	24.3	Very low	29.4	Very low	108 Å²	108	150.9 Å²	150.9	73%	0.73	81%	0.811	S	S	*	*			trans	-127.3	137.3	-160.2	-69.4	0	0	0	0	116
61	L	26.9	Very low	29.3	Very low	169 Å²	169	157 Å²	157	89%	0.885	82%	0.821	S	S	*	*			trans	64.9	177.6	153.6	-59.8	171.7	0	0	0	116.6
62	P	31.3	Very low	29.1	Very low	99 Å²	99	154.3 Å²	154.3	64%	0.643	81%	0.813	S	S	*	*			cis	-132.6	169.9	-9.3	37.1	-19.6	0	0	0	116.8
63	I	26.6	Very low	29	Very low	158 Å²	158	151.6 Å²	151.6	81%	0.81	80%	0.801	S	S	*	*			trans	68.8	149.2	144	-81.2	170	0	0	0	118.1
64	K	24.2	Very low	28.8	Very low	180 Å²	180	151.6 Å²	151.6	78%	0.783	80%	0.799	S	S	*	*			cis	-156.6	157.2	-6.1	-127	179.9	-179.9	178.8	0	110.6
65	P	39.4	Very low	28.5	Very low	116 Å²	116	151.6 Å²	151.6	75%	0.753	79%	0.79	S	S	*	*			trans	-93.2	153.6	164.4	36.4	-34.7	0	0	0	113.8
66	P	38	Very low	28.4	Very low	128 Å²	128	150.7 Å²	150.7	83%	0.831	79%	0.786	S	S	*	*				-151.7	178.3	116.7	38.9	-22.7	0	0	0	114.8
67	D	28.8	Very low	28.1	Very low	149 Å²	149	148 Å²	148	80%	0.797	78%	0.782	S	S	*	*			cis	-161.5	-129.5	-37.8	-169	18.5	0	0	0	109.6
68	P	41.3	Very low	28.1	Very low	90 Å²	90	147.9 Å²	147.9	58%	0.584	78%	0.78	S	S	*	*			trans	-130.8	158.2	-143.2	41.3	-21.2	0	0	0	119.4
69	K	26.6	Very low	28	Very low	208 Å²	208	149.2 Å²	149.2	90%	0.904	78%	0.781	S	S	*	*			trans	176.4	152.2	150.4	-92.4	143	-159.6	173.8	0	109.3
70	V	28.9	Very low	28	Very low	137 Å²	137	148.6 Å²	148.6	83%	0.83	77%	0.773	S	S	*	*			cis	-132.8	151.2	21.7	172.3	0	0	0	0	111.5
71	R	27.1	Very low	28.2	Very low	234 Å²	234	149.8 Å²	149.8	88%	0.883	78%	0.779	S	S	*	*			trans	-100.4	150.5	165.9	-89.8	179	166.1	176.5	-3.7	111
72	K	26.6	Very low	28	Very low	166 Å²	166	150.7 Å²	150.7	72%	0.722	78%	0.777	S	S	*	*			trans	-169.8	139.3	132.6	-107.9	173.8	171.3	-88.1	0	114.3
73	E	25.5	Very low	27.7	Very low	140 Å²	140	152 Å²	152	65%	0.654	79%	0.787	S	S	*	*			trans	44.8	126	141.7	-70.9	142.4	-163.2	0	0	120.9
74	I	26.4	Very low	27.5	Very low	148 Å²	148	151.9 Å²	151.9	76%	0.759	79%	0.787	S	S	*	*			cis	69.7	119.1	22.6	-52.9	179.4	0	0	0	111.4
75	Q	25.3	Very low	27.5	Very low	145 Å²	145	150.6 Å²	150.6	68%	0.678	79%	0.788	S	S	*	*			cis	-165	179.7	25.7	-141.5	171.6	28.8	0	0	114.9
76	K	24.6	Very low	26.8	Very low	171 Å²	171	154 Å²	154	74%	0.743	79%	0.794	S	S	*	*			trans	79.2	103	143.4	-83.6	160.9	178.1	141.2	0	122.3
77	S	22.2	Very low	26.1	Very low	123 Å²	123	157.1 Å²	157.1	86%	0.86	79%	0.794	S	S	*	*				176.8	162.9	116.9	48.6	0	0	0	0	108.5
78	C	24.2	Very low	25.9	Very low	120 Å²	120	154.8 Å²	154.8	81%	0.811	79%	0.79	S	S	*	*			cis	-140.1	-163.4	8.1	-152.8	0	0	0	0	113.1
79	L	25.5	Very low	25.3	Very low	153 Å²	153	155.8 Å²	155.8	80%	0.801	80%	0.797	S	S	*	*			trans	-86.5	173.4	-157.6	-73.5	155.3	0	0	0	117.2
80	K	25.1	Very low	25.1	Very low	179 Å²	179	155.1 Å²	155.1	78%	0.778	79%	0.793	S	S	*	*			trans	-41.6	165.9	171.7	-51.3	172.1	179.4	177	0	115.1
81	P	27.8	Very low	24.9	Very low	132 Å²	132	152.4 Å²	152.4	86%	0.857	79%	0.793	S	S	*	*				-130.1	168.9	101.4	38.3	-33.1	0	0	0	114.9
82	F	23.2	Very low	24.8	Very low	189 Å²	189	149.8 Å²	149.8	83%	0.829	79%	0.791	S	S	*	*			trans	-132.1	126.6	177.8	-148.1	-84.7	0	0	0	107
83	C	24.1	Very low	24.7	Very low	126 Å²	126	147.1 Å²	147.1	85%	0.851	79%	0.789	S	S	*	*			trans	-172.8	126.9	157.3	-103.3	0	0	0	0	111.1
84	L	23.4	Very low	24.6	Very low	156 Å²	156	147.8 Å²	147.8	82%	0.817	80%	0.796	S	S	*	*			trans	-116.5	123	167.5	-90.7	166.6	0	0	0	108
85	L	23.1	Very low	24.5	Very low	153 Å²	153	149.4 Å²	149.4	80%	0.801	80%	0.8	S	S	*	*			trans	-139.3	101.9	165.4	-82.7	173.8	0	0	0	108.4
86	Q	24.9	Very low	24.3	Very low	188 Å²	188	145.2 Å²	145.2	88%	0.879	80%	0.795	S	S	*	*			trans	-112.9	124.7	164.2	-83.3	-173.7	-37.3	0	0	108.6
87	F	22.8	Very low	24.3	Very low	192 Å²	192	147.8 Å²	147.8	84%	0.842	80%	0.802	S	S	*	*			trans	-85.1	139.3	167.7	-75.7	-94.3	0	0	0	109.7
88	S	24.7	Very low	24.5	Very low	101 Å²	101	146.7 Å²	146.7	71%	0.706	80%	0.801	S	S	*	*			trans	-110.7	152.5	159.2	-176.4	0	0	0	0	107.9	K90	S88-K90 PolarHBondContact OG-N 3.26Å
89	P	29.3	Very low	24.5	Very low	111 Å²	111	144.2 Å²	144.2	72%	0.721	80%	0.795	S	S	*	*				-140.9	128.8	111.8	34.2	-20.6	0	0	0	115.5
90	K	23.5	Very low	24.4	Very low	193 Å²	193	146.8 Å²	146.8	84%	0.839	80%	0.8	S	S	*	*				49.7	120.4	127	-58.1	177.4	178.2	-179.9	0	120	S88	S88-K90 PolarHBondContact OG-N 3.26Å
91	G	24.4	Very low	24.4	Very low	80 Å²	80	144.2 Å²	144.2	83%	0.825	80%	0.799	S	S	*	*			trans	-148	120.3	147.6	0	0	0	0	0	109.5
92	Q	25	Very low	24.3	Very low	179 Å²	179	143.5 Å²	143.5	84%	0.836	79%	0.788	S	S	*	*			trans	-128	111.7	-168.7	-103.1	-179.4	-20.2	0	0	114
93	T	23.3	Very low	24.4	Very low	111 Å²	111	142.3 Å²	142.3	68%	0.681	78%	0.783	S	S	*	*			trans	48.3	122.6	130	50.9	0	0	0	0	123.6
94	L	23.8	Very low	24.4	Very low	153 Å²	153	145 Å²	145	80%	0.801	78%	0.78	S	S	*	*				73.1	119.5	125	-71	167.4	0	0	0	122.8
95	H	24.2	Very low	24.4	Very low	183 Å²	183	143.9 Å²	143.9	85%	0.847	77%	0.773	S	S	*	*				-150.2	154.7	128.1	-102.7	46	0	0	0	107.6
96	G	22.3	Very low	24.4	Very low	56 Å²	56	144.4 Å²	144.4	58%	0.577	77%	0.769	S	S	*	*			cis	157.7	144.9	-5.5	0	0	0	0	0	111.5
97	Y	23.9	Very low	24.3	Very low	226 Å²	226	142.7 Å²	142.7	89%	0.886	76%	0.761	S	S	*	*			trans	72.4	142	-177.4	-58.6	-85.6	0	0	0	116.6
98	A	25.2	Very low	24.4	Very low	100 Å²	100	139.6 Å²	139.6	83%	0.826	76%	0.758	S	S	*	*			cis	142.4	142.5	-11.6	0	0	0	0	0	107.5
99	G	24.5	Very low	24.3	Very low	68 Å²	68	142.7 Å²	142.7	70%	0.701	77%	0.765	S	S	*	*			cis	176.8	-158.9	-0.2	0	0	0	0	0	111.9
100	K	24.9	Very low	23.9	Very low	207 Å²	207	140.6 Å²	140.6	90%	0.9	76%	0.764	S	S	*	*			trans	83.4	118.5	-170.5	-56	178.6	179.9	178.2	0	113.5
101	V	24.7	Very low	23.9	Very low	125 Å²	125	136.8 Å²	136.8	76%	0.758	76%	0.762	S	S	*	*			cis	78.7	119.9	47.4	179.3	0	0	0	0	109.6
102	D	24.5	Very low	23.8	Very low	116 Å²	116	143 Å²	143	62%	0.62	77%	0.766	S	S	*	*				-145.7	-175.4	60.3	-137.8	-24.5	0	0	0	119.4
103	K	26.1	Very low	23.7	Very low	165 Å²	165	140.5 Å²	140.5	72%	0.717	77%	0.768	S	S	*	*			trans	-56.8	147.6	-168.7	-59.5	134.3	-161.5	121.2	0	115.3
104	K	22.9	Very low	23.6	Very low	182 Å²	182	140.2 Å²	140.2	79%	0.791	77%	0.771	S	S	*	*			cis	91.2	132.3	42.7	-114.4	-170.6	173.9	-173	0	115
105	I	23.9	Very low	23.5	Very low	132 Å²	132	137.8 Å²	137.8	68%	0.677	76%	0.762	S	S	*	*			trans	75.4	139.8	150.5	-68.1	171.4	0	0	0	116.7
106	F	23.8	Very low	23.5	Very low	164 Å²	164	139.3 Å²	139.3	72%	0.719	77%	0.767	S	S	*	*			cis	-157.4	153.8	-5.9	-126.3	-149	0	0	0	113.4
107	Q	22.3	Very low	23.5	Very low	153 Å²	153	142.2 Å²	142.2	72%	0.715	77%	0.774	S	S	*	*			trans	36.3	105.1	130.1	-156.8	168.3	37.8	0	0	123.5
108	V	24.4	Very low	23.4	Very low	126 Å²	126	140.8 Å²	140.8	76%	0.764	78%	0.775	S	S	*	*				27.2	119	124.5	-172.1	0	0	0	0	120.5
109	L	22.7	Very low	23.3	Very low	166 Å²	166	141.6 Å²	141.6	87%	0.869	78%	0.775	S	S	*	*				167.3	125	104.4	-165.9	72.1	0	0	0	115
110	G	22.3	Very low	23.3	Very low	67 Å²	67	144.4 Å²	144.4	69%	0.691	78%	0.778	S	S	*	*			trans	70.5	167.7	153.7	0	0	0	0	0	119.3
111	S	23	Very low	23.3	Very low	113 Å²	113	143.8 Å²	143.8	79%	0.79	78%	0.775	S	S	*	*			cis	-166.7	162.4	-12.7	-88.9	0	0	0	0	111.4
112	K	21.9	Very low	23.5	Very low	212 Å²	212	143.5 Å²	143.5	92%	0.922	78%	0.776	S	S	*	*			trans	80.5	121.3	166.6	-53.2	-178.1	-178.3	179.9	0	119
113	S	23	Very low	23.5	Very low	126 Å²	126	143.7 Å²	143.7	88%	0.881	78%	0.784	S	S	*	*			trans	-149.8	139.2	139.4	-176.6	0	0	0	0	109.7
114	S	21.7	Very low	23.5	Very low	105 Å²	105	140.8 Å²	140.8	73%	0.734	78%	0.784	S	S	*	*			trans	-154.7	157	166	75.9	0	0	0	0	106
115	T	21.9	Very low	23.6	Very low	101 Å²	101	137.1 Å²	137.1	62%	0.62	78%	0.779	S	S	*	*			cis	-152.3	151.1	13.7	-46	0	0	0	0	107.5	T117	T115-T117 HydrophobicContact CG2-CG2 4.34Å
116	F	23.8	Very low	23.6	Very low	215 Å²	215	142.4 Å²	142.4	94%	0.943	79%	0.79	S	S	*	*			trans	-155.1	153.5	137.3	-102.8	-66.3	0	0	0	109.9
117	T	21.3	Very low	23.7	Very low	118 Å²	118	142.6 Å²	142.6	72%	0.724	79%	0.793	S	S	*	*			trans	-117.6	135.7	-163.3	49.3	0	0	0	0	112	T115	T115-T117 HydrophobicContact CG2-CG2 4.34Å
118	E	22.8	Very low	23.9	Very low	196 Å²	196	140.9 Å²	140.9	92%	0.916	80%	0.798	S	S	*	*			trans	-145.4	170.1	153.7	-138.1	171	-166.8	0	0	111.8
119	S	23.5	Very low	24	Very low	117 Å²	117	139.7 Å²	139.7	82%	0.818	80%	0.795	S	S	*	*			trans	-77	143.1	-153.6	-168.4	0	0	0	0	115.4
120	V	24.1	Very low	24.3	Very low	126 Å²	126	136.5 Å²	136.5	76%	0.764	79%	0.792	S	S	*	*			trans	-101.3	125.6	179.6	177.2	0	0	0	0	111.6
121	K	25.9	Very low	24.7	Very low	195 Å²	195	140.4 Å²	140.4	85%	0.848	79%	0.793	S	S	*	*			trans	-121.6	132.1	151	-82.2	-176.3	173.9	179.8	0	108.3	P123	K121-P123 WeakPolarHBondContact O-CD 3.34Å
122	P	27.5	Very low	25.1	Very low	119 Å²	119	141.7 Å²	141.7	77%	0.773	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-81.1	125.5	-175.9	30.5	-33.5	0	0	0	112.4
123	P	25.2	Very low	25.6	Very low	120 Å²	120	137.9 Å²	137.9	78%	0.779	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-79.2	154.3	158.2	33.8	-32.6	0	0	0	110.6	K121	K121-P123 WeakPolarHBondContact O-CD 3.34Å
124	S	24.9	Very low	26.6	Very low	104 Å²	104	140 Å²	140	73%	0.727	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-78	148.3	-176.4	47.6	0	0	0	0	113.8	R126	S124-R126 PolarHBondContact O-N 3.05Å
125	P	26	Very low	28.4	Very low	104 Å²	104	144.1 Å²	144.1	68%	0.675	77%	0.773	S	S	*	*			trans	-73.2	114.4	175.7	29.6	-33.4	0	0	0	111	H127	P125-H127 PolarHBondContact O-N 3.17Å; P125-H127 VanDerWaalsContact O-N 3.14Å
126	R	23.7	Very low	30.8	Very low	244 Å²	244	143.8 Å²	143.8	92%	0.921	77%	0.771	S	S	*	*			trans	-76.4	94.1	168.2	-71.9	-175.8	177.3	-179.4	-1.2	109.9	S124 S128	S124-R126 PolarHBondContact O-N 3.05Å; R126-S128 PolarHBondContact O-N 2.92Å
127	H	27.2	Very low	33.6	Very low	168 Å²	168	135.6 Å²	135.6	78%	0.778	74%	0.74	S	S	*	*			trans	-74.2	105.4	166	-76.4	-85.9	0	0	0	110	P125 S129	P125-H127 PolarHBondContact O-N 3.17Å; P125-H127 VanDerWaalsContact O-N 3.14Å; H127-S129 PolarHBondContact O-N 3.46Å; H127-S129 VanDerWaalsContact O-N 3.15Å
128	S	25.8	Very low	36.7	Very low	117 Å²	117	132.6 Å²	132.6	82%	0.818	72%	0.717	S	S	*	*			trans	-80.4	85.6	171.1	56	0	0	0	0	110.4	R126 A130	R126-S128 PolarHBondContact O-N 2.92Å; S128-A130 PolarHBondContact O-N 3.26Å; S128-A130 VanDerWaalsContact O-N 3.12Å
129	S	26.3	Very low	39.9	Very low	100 Å²	100	123.9 Å²	123.9	70%	0.699	68%	0.676	S	S	*	*			trans	-70.5	100.7	170.9	46.6	0	0	0	0	110.4	H127 Q131	H127-S129 PolarHBondContact O-N 3.46Å; H127-S129 VanDerWaalsContact O-N 3.15Å; S129-Q131 VanDerWaalsContact C-N 3.33Å; S129-Q131 PolarHBondContact O-N 3.21Å
130	A	28.2	Very low	43.2	Very low	99 Å²	99	118.8 Å²	118.8	82%	0.818	64%	0.64	S	S	*	*			trans	-71.8	85.3	173.2	0	0	0	0	0	110.5	S128 K132	S128-A130 PolarHBondContact O-N 3.26Å; S128-A130 VanDerWaalsContact O-N 3.12Å; A130-K132 PolarHBondContact O-N 2.95Å
131	Q	32.1	Very low	46.4	Very low	150 Å²	150	115.3 Å²	115.3	70%	0.701	62%	0.624	S	S	*	*			trans	-61.5	117.2	166.3	-74.1	172.2	-56.8	0	0	108.7	S129 V133	S129-Q131 VanDerWaalsContact C-N 3.33Å; S129-Q131 PolarHBondContact O-N 3.21Å; Q131-V133 VanDerWaalsContact C-N 3.28Å; Q131-V133 PolarHBondContact O-N 3.37Å
132	K	30.3	Very low	49.6	Very low	140 Å²	140	108.5 Å²	108.5	61%	0.609	60%	0.595	S	S	*	*			trans	-69.3	86.6	170.5	-83.9	-170	174	-178.7	0	108.9	A130 H134 E538	A130-K132 PolarHBondContact O-N 2.95Å; K132-H134 PolarHBondContact O-N 3.03Å; K132-H134 PolarHBondContact O-ND1 3.11Å; K132-E538 IonicContact NZ-OE1 2.64Å; K132-E538 PolarHBondContact NZ-OE1 3.35Å; K132-E538 IonicContact NZ-OE2 3.66Å; K132-E538 PolarHBondContact NZ-OE2 2.9Å
133	V	32.3	Very low	52.8	Low	131 Å²	131	103 Å²	103	79%	0.794	56%	0.559	S	S	*	*			trans	-52.4	114.2	167.5	178.4	0	0	0	0	107.9	Q131 R135	Q131-V133 VanDerWaalsContact C-N 3.28Å; Q131-V133 PolarHBondContact O-N 3.37Å; V133-R135 PolarHBondContact O-N 3.26Å
134	H	44.5	Very low	56.1	Low	171 Å²	171	100.2 Å²	100.2	79%	0.792	54%	0.535	S	S	*	.			trans	-68.8	105.2	173.4	-92.4	50.6	0	0	0	108.3	K132 T136	K132-H134 PolarHBondContact O-N 3.03Å; K132-H134 PolarHBondContact O-ND1 3.11Å; H134-T136 PolarHBondContact O-N 3.07Å
135	R	59.9	Low	59.4	Low	192 Å²	192	98.9 Å²	98.9	73%	0.725	52%	0.523	S	S	*	.	P	Polyproline II helix	trans	-73.3	117.6	177	-175	-179	-174.8	-168.5	0.2	108.4	V133 P137	V133-R135 PolarHBondContact O-N 3.26Å; R135-P137 WeakPolarHBondContact O-CD 3.29Å
136	T	72.3	Confident	62.7	Low	94 Å²	94	94.7 Å²	94.7	58%	0.577	50%	0.495	S	S	*	.	P	Polyproline II helix	trans	-50.6	122.3	174.8	-45.5	0	0	0	0	110.4	H134 I140	H134-T136 PolarHBondContact O-N 3.07Å; T136-I140 HydrophobicContact CG2-CB 4.3Å; T136-I140 HydrophobicContact CG2-CD1 3.6Å; T136-I140 HydrophobicContact CG2-CG2 4.11Å
137	P	82.6	Confident	66.1	Low	43 Å²	43	83.1 Å²	83.1	28%	0.279	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-54.3	144.4	177.9	-29.5	34.2	0	0	0	113.3	R135 Y139 I140	R135-P137 WeakPolarHBondContact O-CD 3.29Å; P137-Y139 VanDerWaalsContact C-N 3.26Å; P137-Y139 HydrophobicContact CB-CD1 3.62Å; P137-Y139 HydrophobicContact CB-CE1 3.23Å; P137-Y139 HydrophobicContact CB-CE2 4.25Å; P137-Y139 HydrophobicContact CB-CG 4.28Å; P137-Y139 HydrophobicContact CG-CE1 3.94Å; P137-Y139 PolarHBondContact O-N 3.18Å; P137-I140 HydrophobicContact CB-CD1 4.1Å; P137-I140 HydrophobicContact CG-CD1 4.18Å; P137-I140 WeakPolarHBondContact O-CB 3.41Å; P137-I140 PolarHBondContact O-N 2.86Å
138	Q	86.4	Confident	69.2	Low	54 Å²	54	77 Å²	77	25%	0.252	42%	0.424	S	S	.	.	H	α-helix	trans	-69.2	-25.1	-174.8	-59.2	-173.7	17.9	0	0	113.4	I140 A141 K142 D531 D534	Q138-I140 PolarHBondContact O-N 2.92Å; Q138-A141 PolarHBondContact O-N 3.46Å; Q138-K142 PolarHBondContact O-N 3.39Å; Q138-D531 WeakPolarHBondContact CB-OD1 3.36Å; Q138-D531 PolarHBondContact N-OD1 2.84Å; Q138-D534 PolarHBondContact NE2-OD2 3.02Å
139	Y	90.1	Very high	72.4	Confident	13 Å²	13	77.2 Å²	77.2	5%	0.051	42%	0.416	C	S	.	.	H	α-helix	trans	-62.5	-27.5	179.9	60.8	-106.1	0	0	0	111.9	P137 K142 I143 M527 D531 A541 A545 L546 E549	P137-Y139 VanDerWaalsContact C-N 3.26Å; P137-Y139 HydrophobicContact CB-CD1 3.62Å; P137-Y139 HydrophobicContact CB-CE1 3.23Å; P137-Y139 HydrophobicContact CB-CE2 4.25Å; P137-Y139 HydrophobicContact CB-CG 4.28Å; P137-Y139 HydrophobicContact CG-CE1 3.94Å; P137-Y139 PolarHBondContact O-N 3.18Å; Y139-K142 WeakPolarHBondContact O-CB 3.32Å; Y139-K142 PolarHBondContact O-N 2.8Å; Y139-I143 HydrophobicContact CD2-CD1 4.1Å; Y139-I143 VanDerWaalsContact O-CG1 3.27Å; Y139-I143 WeakPolarHBondContact O-CG1 3.35Å; Y139-I143 PolarHBondContact O-N 3.05Å; Y139-M527 WeakPolarHBondContact O-CE 3.4Å; Y139-D531 HydrophobicContact CD1-CB 4.24Å; Y139-A541 HydrophobicContact CE1-CB 4.5Å; Y139-A545 WeakPolarHBondContact OH-CB 3.42Å; Y139-L546 HydrophobicContact CD1-CD1 4.43Å; Y139-L546 HydrophobicContact CD2-CB 4.02Å; Y139-L546 HydrophobicContact CD2-CD1 4.2Å; Y139-L546 HydrophobicContact CD2-CG 3.89Å; Y139-L546 HydrophobicContact CE2-CB 3.97Å; Y139-L546 HydrophobicContact CE2-CG 4.36Å; Y139-L546 HydrophobicContact CG-CB 4.43Å; Y139-L546 HydrophobicContact CG-CD1 3.96Å; Y139-L546 HydrophobicContact CG-CG 4.18Å; Y139-E549 HydrophobicContact CE2-CB 4.49Å; Y139-E549 HydrophobicContact CE2-CG 4.28Å
140	I	91.6	Very high	75.5	Confident	10 Å²	10	76 Å²	76	5%	0.051	40%	0.398	C	S	.	.	H	α-helix	trans	-59.9	-52.8	175.3	-74.1	152.7	0	0	0	111.4	T136 P137 Q138 K142 I143 E144 E549 R624	T136-I140 HydrophobicContact CG2-CB 4.3Å; T136-I140 HydrophobicContact CG2-CD1 3.6Å; T136-I140 HydrophobicContact CG2-CG2 4.11Å; P137-I140 HydrophobicContact CB-CD1 4.1Å; P137-I140 HydrophobicContact CG-CD1 4.18Å; P137-I140 WeakPolarHBondContact O-CB 3.41Å; P137-I140 PolarHBondContact O-N 2.86Å; Q138-I140 PolarHBondContact O-N 2.92Å; I140-K142 PolarHBondContact O-N 2.81Å; I140-I143 WeakPolarHBondContact O-CB 3.48Å; I140-I143 PolarHBondContact O-N 2.8Å; I140-I143 VanDerWaalsContact O-N 3.12Å; I140-E144 VanDerWaalsContact CG2-OE1 3.23Å; I140-E144 WeakPolarHBondContact CG2-OE1 3.4Å; I140-E144 WeakPolarHBondContact O-CG 3.24Å; I140-E144 PolarHBondContact O-N 2.74Å; I140-E549 HydrophobicContact CD1-CG 4.43Å; I140-E549 WeakPolarHBondContact CD1-OE1 3.45Å; I140-E549 HydrophobicContact CG1-CB 4.42Å; I140-E549 HydrophobicContact CG1-CG 4.05Å; I140-R624 VanDerWaalsContact CD1-NH2 3.33Å
141	A	91.3	Very high	78.3	Confident	54 Å²	54	72.6 Å²	72.6	45%	0.446	36%	0.364	S	S	.	.	H	α-helix	trans	-62.5	-29.1	178.8	0	0	0	0	0	112	Q138 T145	Q138-A141 PolarHBondContact O-N 3.46Å; A141-T145 WeakPolarHBondContact O-CB 3.17Å; A141-T145 PolarHBondContact O-N 2.73Å; A141-T145 PolarHBondContact O-OG1 3.14Å
142	K	94	Very high	80.6	Confident	52 Å²	52	66.8 Å²	66.8	23%	0.226	35%	0.345	C	S	.	.	H	α-helix	trans	-72.9	-42	175.3	-64.1	168.1	-166.5	171	0	111.5	Q138 Y139 I140 T145 I146 M527	Q138-K142 PolarHBondContact O-N 3.39Å; Y139-K142 WeakPolarHBondContact O-CB 3.32Å; Y139-K142 PolarHBondContact O-N 2.8Å; I140-K142 PolarHBondContact O-N 2.81Å; K142-T145 PolarHBondContact O-N 2.77Å; K142-I146 WeakPolarHBondContact O-CD1 3.49Å; K142-I146 VanDerWaalsContact O-CG1 3.28Å; K142-I146 WeakPolarHBondContact O-CG1 3.34Å; K142-I146 PolarHBondContact O-N 3.49Å; K142-M527 HydrophobicContact CB-CE 3.74Å
143	I	95.3	Very high	82.4	Confident	4 Å²	4	72 Å²	72	2%	0.021	36%	0.361	C	S	.	.	H	α-helix	trans	-57.1	-52.2	171	-68.4	167.5	0	0	0	109.9	Y139 I140 T145 I146 F147 V520 M527 L546 E549 A550 R553	Y139-I143 HydrophobicContact CD2-CD1 4.1Å; Y139-I143 VanDerWaalsContact O-CG1 3.27Å; Y139-I143 WeakPolarHBondContact O-CG1 3.35Å; Y139-I143 PolarHBondContact O-N 3.05Å; I140-I143 WeakPolarHBondContact O-CB 3.48Å; I140-I143 PolarHBondContact O-N 2.8Å; I140-I143 VanDerWaalsContact O-N 3.12Å; I143-T145 VanDerWaalsContact C-N 3.32Å; I143-T145 PolarHBondContact O-N 3.03Å; I143-I146 PolarHBondContact O-N 3.5Å; I143-F147 HydrophobicContact CG2-CD2 3.92Å; I143-F147 HydrophobicContact CG2-CE2 4.05Å; I143-F147 WeakPolarHBondContact O-CD2 3.42Å; I143-F147 PolarHBondContact O-N 2.67Å; I143-V520 HydrophobicContact CD1-CG1 4.28Å; I143-V520 HydrophobicContact CG1-CG1 3.81Å; I143-V520 HydrophobicContact CG1-CG2 4.15Å; I143-V520 HydrophobicContact CG2-CG2 4.49Å; I143-M527 HydrophobicContact CD1-CE 4.4Å; I143-M527 HydrophobicContact CG1-CE 3.67Å; I143-L546 HydrophobicContact CD1-CG 4.49Å; I143-E549 HydrophobicContact CD1-CB 3.97Å; I143-A550 HydrophobicContact CD1-CB 4.26Å; I143-R553 HydrophobicContact CG2-CB 3.75Å; I143-R553 HydrophobicContact CG2-CG 3.99Å
144	E	93.1	Very high	84.2	Confident	60 Å²	60	69.7 Å²	69.7	28%	0.28	34%	0.34	S	S	.	.	H	α-helix	trans	-56.9	-44.7	178.6	-68.2	171.6	-161.5	0	0	111.9	I140 F147 D148 R624	I140-E144 VanDerWaalsContact CG2-OE1 3.23Å; I140-E144 WeakPolarHBondContact CG2-OE1 3.4Å; I140-E144 WeakPolarHBondContact O-CG 3.24Å; I140-E144 PolarHBondContact O-N 2.74Å; E144-F147 PolarHBondContact O-N 2.99Å; E144-D148 WeakPolarHBondContact O-CB 3.45Å; E144-D148 PolarHBondContact O-N 3.23Å; E144-R624 IonicContact OE1-NH1 3.78Å; E144-R624 PolarHBondContact OE1-NH1 2.77Å
145	T	94.2	Very high	85.4	Confident	76 Å²	76	65.4 Å²	65.4	47%	0.466	32%	0.317	S	S	.	.	H	α-helix	trans	-59.5	-48.4	175.6	-55.9	0	0	0	0	111.7	A141 K142 I143 F147 D148 D149	A141-T145 WeakPolarHBondContact O-CB 3.17Å; A141-T145 PolarHBondContact O-N 2.73Å; A141-T145 PolarHBondContact O-OG1 3.14Å; K142-T145 PolarHBondContact O-N 2.77Å; I143-T145 VanDerWaalsContact C-N 3.32Å; I143-T145 PolarHBondContact O-N 3.03Å; T145-F147 PolarHBondContact O-N 2.9Å; T145-D148 PolarHBondContact O-N 3.36Å; T145-D149 WeakPolarHBondContact O-CB 3.42Å; T145-D149 PolarHBondContact O-N 3.49Å
146	I	96.4	Very high	85.9	Confident	17 Å²	17	56.5 Å²	56.5	9%	0.087	28%	0.284	C	S	.	.	H	α-helix	trans	-61.3	-43.9	-179.3	-68.8	162.3	0	0	0	111.1	K142 I143 D149 K150 A516 Q519 V520	K142-I146 WeakPolarHBondContact O-CD1 3.49Å; K142-I146 VanDerWaalsContact O-CG1 3.28Å; K142-I146 WeakPolarHBondContact O-CG1 3.34Å; K142-I146 PolarHBondContact O-N 3.49Å; I143-I146 PolarHBondContact O-N 3.5Å; I146-D149 PolarHBondContact O-N 2.86Å; I146-K150 WeakPolarHBondContact O-CG 3.14Å; I146-K150 PolarHBondContact O-N 2.96Å; I146-K150 VanDerWaalsContact O-N 3.14Å; I146-A516 HydrophobicContact CG2-CB 4.27Å; I146-Q519 HydrophobicContact CD1-CG 4.42Å; I146-Q519 HydrophobicContact CG2-CB 4.15Å; I146-Q519 HydrophobicContact CG2-CG 4.28Å; I146-V520 HydrophobicContact CB-CG2 4.17Å; I146-V520 HydrophobicContact CD1-CG2 3.79Å; I146-V520 HydrophobicContact CG2-CG2 4Å
147	F	94.9	Very high	85.3	Confident	1 Å²	1	59.7 Å²	59.7	0%	0.004	29%	0.29	C	S	.	.	H	α-helix	trans	-65.2	-42.3	176.1	-87.9	-89.2	0	0	0	112.5	I143 E144 T145 K150 R151 L513 A516 L517 V520 R553 F554 E557	I143-F147 HydrophobicContact CG2-CD2 3.92Å; I143-F147 HydrophobicContact CG2-CE2 4.05Å; I143-F147 WeakPolarHBondContact O-CD2 3.42Å; I143-F147 PolarHBondContact O-N 2.67Å; E144-F147 PolarHBondContact O-N 2.99Å; T145-F147 PolarHBondContact O-N 2.9Å; F147-K150 PolarHBondContact O-N 3.19Å; F147-R151 VanDerWaalsContact O-CB 3.24Å; F147-R151 WeakPolarHBondContact O-CB 3.28Å; F147-R151 PolarHBondContact O-N 3.36Å; F147-L513 HydrophobicContact CD1-CD2 4.05Å; F147-L513 HydrophobicContact CE1-CD2 4.18Å; F147-A516 HydrophobicContact CB-CB 4.43Å; F147-A516 HydrophobicContact CD1-CB 3.56Å; F147-A516 HydrophobicContact CD2-CB 4.04Å; F147-A516 HydrophobicContact CE1-CB 3.69Å; F147-A516 HydrophobicContact CE2-CB 4.16Å; F147-A516 HydrophobicContact CG-CB 3.75Å; F147-A516 HydrophobicContact CZ-CB 3.99Å; F147-L517 HydrophobicContact CZ-CB 4.05Å; F147-L517 HydrophobicContact CZ-CD1 4.34Å; F147-V520 HydrophobicContact CE2-CG2 4.43Å; F147-R553 HydrophobicContact CB-CG 4.08Å; F147-R553 HydrophobicContact CD1-CG 4.26Å; F147-R553 HydrophobicContact CD2-CB 4.16Å; F147-R553 HydrophobicContact CD2-CG 3.53Å; F147-R553 HydrophobicContact CE2-CB 4.11Å; F147-R553 HydrophobicContact CE2-CG 3.97Å; F147-R553 HydrophobicContact CG-CG 3.69Å; F147-F554 HydrophobicContact CE1-CB 4.1Å; F147-F554 HydrophobicContact CE1-CD2 4.47Å; F147-F554 HydrophobicContact CZ-CB 3.9Å; F147-E557 HydrophobicContact CD1-CG 3.94Å
148	D	91.8	Very high	83.8	Confident	38 Å²	38	62.1 Å²	62.1	20%	0.203	30%	0.3	C	S	.	.	H	α-helix	trans	-65.4	-37.2	178.3	-91.9	38.7	0	0	0	112.5	E144 T145 R151 G152 R155 R553	E144-D148 WeakPolarHBondContact O-CB 3.45Å; E144-D148 PolarHBondContact O-N 3.23Å; T145-D148 PolarHBondContact O-N 3.36Å; D148-R151 IonicContact OD1-CZ 2.64Å; D148-R151 VanDerWaalsContact OD1-CZ 3.26Å; D148-R151 IonicContact OD1-NH1 3.73Å; D148-R151 PolarHBondContact OD1-NH1 3.32Å; D148-R151 IonicContact OD1-NH2 2.77Å; D148-R151 PolarHBondContact OD1-NH2 3.37Å; D148-R151 IonicContact OD2-CZ 3.9Å; D148-R151 IonicContact OD2-NH1 2.6Å; D148-R151 IonicContact OD2-NH2 3.71Å; D148-R151 PolarHBondContact OD2-NH2 3Å; D148-G152 WeakPolarHBondContact O-CA 3.13Å; D148-G152 PolarHBondContact O-N 2.89Å; D148-R155 IonicContact OD1-NH2 3.71Å; D148-R155 IonicContact OD2-CZ 2.83Å; D148-R155 IonicContact OD2-NE 2.6Å; D148-R155 IonicContact OD2-NH2 2.69Å; D148-R155 PolarHBondContact OD2-NH2 2.96Å; D148-R553 IonicContact OD1-NH2 3.75Å; D148-R553 PolarHBondContact OD1-NH2 3.03Å
149	D	92.8	Very high	82	Confident	122 Å²	122	65.1 Å²	65.1	65%	0.652	31%	0.314	S	S	*	.	H	α-helix	trans	-66.1	-47.5	175.4	-82.2	-22.4	0	0	0	112.3	T145 I146	T145-D149 WeakPolarHBondContact O-CB 3.42Å; T145-D149 PolarHBondContact O-N 3.49Å; I146-D149 PolarHBondContact O-N 2.86Å
150	K	92.3	Very high	79.6	Confident	74 Å²	74	66.3 Å²	66.3	32%	0.322	33%	0.33	S	S	.	.	H	α-helix	trans	-68.4	-36.9	178.1	-55.4	-51.4	-179.8	-176.4	0	112.4	I146 F147 K512 A515 A516	I146-K150 WeakPolarHBondContact O-CG 3.14Å; I146-K150 PolarHBondContact O-N 2.96Å; I146-K150 VanDerWaalsContact O-N 3.14Å; F147-K150 PolarHBondContact O-N 3.19Å; K150-K512 WeakPolarHBondContact CB-O 3.37Å; K150-K512 WeakPolarHBondContact O-CD 3.35Å; K150-A515 WeakPolarHBondContact CE-O 3.35Å; K150-A516 HydrophobicContact CB-CB 4.1Å; K150-A516 HydrophobicContact CG-CB 3.66Å
151	R	85.8	Confident	76.8	Confident	28 Å²	28	72.1 Å²	72.1	11%	0.106	37%	0.369	C	S	.	.	H	α-helix	trans	-69.5	-45.5	178	-173.8	-169.8	68.5	-127.8	-14.7	111.2	F147 D148 E557	F147-R151 VanDerWaalsContact O-CB 3.24Å; F147-R151 WeakPolarHBondContact O-CB 3.28Å; F147-R151 PolarHBondContact O-N 3.36Å; D148-R151 IonicContact OD1-CZ 2.64Å; D148-R151 VanDerWaalsContact OD1-CZ 3.26Å; D148-R151 IonicContact OD1-NH1 3.73Å; D148-R151 PolarHBondContact OD1-NH1 3.32Å; D148-R151 IonicContact OD1-NH2 2.77Å; D148-R151 PolarHBondContact OD1-NH2 3.37Å; D148-R151 IonicContact OD2-CZ 3.9Å; D148-R151 IonicContact OD2-NH1 2.6Å; D148-R151 IonicContact OD2-NH2 3.71Å; D148-R151 PolarHBondContact OD2-NH2 3Å; R151-E557 VanDerWaalsContact CD-OE2 3.27Å; R151-E557 WeakPolarHBondContact CD-OE2 3.47Å; R151-E557 IonicContact CZ-OE2 3.2Å; R151-E557 IonicContact NE-OE2 2.61Å; R151-E557 IonicContact NH1-OE1 3.65Å; R151-E557 PolarHBondContact NH1-OE1 2.9Å; R151-E557 IonicContact NH1-OE2 2.84Å; R151-E557 PolarHBondContact NH1-OE2 2.94Å
152	G	80.3	Confident	74	Confident	29 Å²	29	79.1 Å²	79.1	30%	0.299	39%	0.389	S	S	.	.			trans	76.9	-168.5	-169.8	0	0	0	0	0	113.6	D148 K154	D148-G152 WeakPolarHBondContact O-CA 3.13Å; D148-G152 PolarHBondContact O-N 2.89Å; G152-K154 PolarHBondContact O-N 3.25Å
153	R	68.6	Low	71.1	Confident	249 Å²	249	79.4 Å²	79.4	94%	0.94	40%	0.402	S	S	*	.	S	Bend	trans	-68.7	2.3	-167.7	-56.6	-172.2	-174.2	-167.5	2.5	116.4
154	K	69.9	Low	67.9	Low	83 Å²	83	90.6 Å²	90.6	36%	0.361	44%	0.444	S	S	.	.			trans	-93.1	95.2	177.8	-63.9	-177.8	-172.9	175.4	0	110	G152 E172 P586	G152-K154 PolarHBondContact O-N 3.25Å; K154-E172 IonicContact NZ-OE1 2.85Å; K154-E172 IonicContact NZ-OE2 2.69Å; K154-E172 PolarHBondContact NZ-OE2 2.7Å; K154-P586 HydrophobicContact CB-CB 3.95Å; K154-P586 HydrophobicContact CB-CG 4.31Å; K154-P586 HydrophobicContact CD-CB 4.45Å
155	R	69.4	Low	65	Low	81 Å²	81	91.6 Å²	91.6	31%	0.306	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-90.4	161.3	166	-70.1	-176.7	176.4	-167.9	-7.7	111	D148 K157 S631	D148-R155 IonicContact OD1-NH2 3.71Å; D148-R155 IonicContact OD2-CZ 2.83Å; D148-R155 IonicContact OD2-NE 2.6Å; D148-R155 IonicContact OD2-NH2 2.69Å; D148-R155 PolarHBondContact OD2-NH2 2.96Å; R155-K157 PolarHBondContact O-N 2.94Å; R155-S631 PolarHBondContact NH1-O 3.43Å; R155-S631 PolarHBondContact NH1-OG 3.41Å
156	V	69.9	Low	62.2	Low	5 Å²	5	96.7 Å²	96.7	3%	0.03	48%	0.48	C	S	.	.	P	Polyproline II helix	trans	-63.7	126.3	169.3	-175.8	0	0	0	0	108	H561	V156-H561 HydrophobicContact CB-CB 4.23Å; V156-H561 HydrophobicContact CG1-CB 3.85Å; V156-H561 HydrophobicContact CG2-CB 4.13Å
157	K	61.4	Low	59.1	Low	161 Å²	161	104.7 Å²	104.7	70%	0.7	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-94.8	136.3	177.5	-66.9	-173.3	179.5	-178.5	0	110	R155 Q159	R155-K157 PolarHBondContact O-N 2.94Å; K157-Q159 VanDerWaalsContact C-N 3.32Å; K157-Q159 PolarHBondContact O-N 2.98Å
158	N	49.6	Very low	56.4	Low	94 Å²	94	109.1 Å²	109.1	50%	0.503	55%	0.554	S	S	.	*			trans	-68.5	88.8	168	-173.4	4.7	0	0	0	110	G160 L633	N158-G160 PolarHBondContact O-N 2.75Å; N158-L633 HydrophobicContact CB-CD2 4.38Å
159	Q	48.5	Very low	53.7	Low	117 Å²	117	113.1 Å²	113.1	55%	0.547	59%	0.585	S	S	.	*			trans	-83.8	100.5	172	-69.4	-170.7	11.8	0	0	108.8	K157 A163	K157-Q159 VanDerWaalsContact C-N 3.32Å; K157-Q159 PolarHBondContact O-N 2.98Å; Q159-A163 HydrophobicContact CB-CB 4.14Å; Q159-A163 HydrophobicContact CG-CB 4.46Å
160	G	39.4	Very low	51	Low	37 Å²	37	109.1 Å²	109.1	38%	0.381	57%	0.573	S	S	.	*			trans	-61.4	164.1	174.9	0	0	0	0	0	112.8	N158 F162 A163	N158-G160 PolarHBondContact O-N 2.75Å; G160-F162 PolarHBondContact O-N 3Å; G160-A163 PolarHBondContact O-N 2.72Å; G160-A163 VanDerWaalsContact O-N 3.08Å
161	P	34.5	Very low	48.4	Very low	133 Å²	133	112.4 Å²	112.4	86%	0.864	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.9	0.5	-158.4	-27.1	36.2	0	0	0	118.8
162	F	31.2	Very low	46.3	Very low	201 Å²	201	113.9 Å²	113.9	88%	0.882	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.7	2.6	-177.4	-73.1	-82.1	0	0	0	114.3	G160 R164	G160-F162 PolarHBondContact O-N 3Å; F162-R164 PolarHBondContact O-N 2.79Å
163	A	32.9	Very low	44.2	Very low	58 Å²	58	118 Å²	118	48%	0.479	63%	0.632	S	S	.	*			trans	-71.8	117	170.7	0	0	0	0	0	109.8	Q159 G160 A165	Q159-A163 HydrophobicContact CB-CB 4.14Å; Q159-A163 HydrophobicContact CG-CB 4.46Å; G160-A163 PolarHBondContact O-N 2.72Å; G160-A163 VanDerWaalsContact O-N 3.08Å; A163-A165 PolarHBondContact O-N 3.04Å
164	R	29.9	Very low	43	Very low	239 Å²	239	109.1 Å²	109.1	90%	0.902	60%	0.603	S	S	*	*			trans	-62.2	133.6	163.4	-79.9	-178.1	172.9	161	-2.1	108.2	F162 E166	F162-R164 PolarHBondContact O-N 2.79Å; R164-E166 PolarHBondContact O-N 3.13Å
165	A	32.1	Very low	41.8	Very low	80 Å²	80	110.8 Å²	110.8	66%	0.661	62%	0.622	S	S	*	*			trans	-66	99.3	170.1	0	0	0	0	0	109.2	A163 E167	A163-A165 PolarHBondContact O-N 3.04Å; A165-E167 PolarHBondContact O-N 3.36Å
166	E	33.7	Very low	40.4	Very low	183 Å²	183	116.3 Å²	116.3	86%	0.855	65%	0.651	S	S	*	*			trans	-60.7	122.8	155.7	-71.6	-168.8	141.1	0	0	107.3	R164 A168	R164-E166 PolarHBondContact O-N 3.13Å; E166-A168 PolarHBondContact O-N 3.22Å
167	E	32.9	Very low	39.3	Very low	185 Å²	185	119.2 Å²	119.2	86%	0.864	67%	0.667	S	S	*	*			trans	-61.1	116.3	175	-66.4	-164	139.6	0	0	108.7	A165 S169	A165-E167 PolarHBondContact O-N 3.36Å; E167-S169 PolarHBondContact O-N 3.38Å
168	A	38.4	Very low	38.9	Very low	94 Å²	94	115.5 Å²	115.5	78%	0.777	66%	0.655	S	S	*	*			trans	-72.1	72.9	177.4	0	0	0	0	0	109.9	E166 G170	E166-A168 PolarHBondContact O-N 3.22Å; A168-G170 PolarHBondContact O-N 3.2Å
169	S	34.3	Very low	39.3	Very low	122 Å²	122	115.2 Å²	115.2	85%	0.853	66%	0.656	S	S	*	*			trans	-65.3	77.8	174.4	-171.2	0	0	0	0	109.7	E167	E167-S169 PolarHBondContact O-N 3.38Å
170	G	36.2	Very low	39.7	Very low	39 Å²	39	115.6 Å²	115.6	40%	0.402	66%	0.658	S	S	.	*			trans	-110.3	114.4	171.4	0	0	0	0	0	108.5	A168 E172	A168-G170 PolarHBondContact O-N 3.2Å; G170-E172 PolarHBondContact O-N 2.71Å
171	T	38.1	Very low	40.7	Very low	142 Å²	142	114.1 Å²	114.1	87%	0.871	64%	0.643	S	S	*	*			trans	-67.5	75.5	173.4	-5	0	0	0	0	110.2
172	E	41.8	Very low	42.2	Very low	59 Å²	59	109.8 Å²	109.8	28%	0.276	61%	0.612	S	S	.	*			trans	-87.7	99.4	165.7	-78.1	179.4	121.2	0	0	108.4	K154 G170 D174 K512	K154-E172 IonicContact NZ-OE1 2.85Å; K154-E172 IonicContact NZ-OE2 2.69Å; K154-E172 PolarHBondContact NZ-OE2 2.7Å; G170-E172 PolarHBondContact O-N 2.71Å; E172-D174 PolarHBondContact O-N 3.02Å; E172-K512 IonicContact OE1-NZ 2.67Å; E172-K512 PolarHBondContact OE1-NZ 2.83Å
173	S	36.3	Very low	43.6	Very low	117 Å²	117	103.6 Å²	103.6	82%	0.818	59%	0.594	S	S	*	*			trans	-75.8	73.5	166.9	-58.7	0	0	0	0	110
174	D	42.3	Very low	45.2	Very low	62 Å²	62	109 Å²	109	33%	0.332	60%	0.602	S	S	.	*	P	Polyproline II helix	trans	-59.9	154.9	149.6	-87.3	-59.9	0	0	0	108.5	E172 S511	E172-D174 PolarHBondContact O-N 3.02Å; D174-S511 PolarHBondContact OD1-OG 2.94Å
175	P	44.1	Very low	47.3	Very low	118 Å²	118	98.6 Å²	98.6	77%	0.766	56%	0.562	S	S	*	*	S	Bend	trans	-60	165.2	174.3	26.5	-34.8	0	0	0	112.1
176	E	41.4	Very low	49	Very low	196 Å²	196	96.5 Å²	96.5	92%	0.916	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-54.1	144	-157.9	-61.6	-172.8	120.7	0	0	115.3	N178	E176-N178 PolarHBondContact O-N 2.96Å
177	D	46.2	Very low	50.5	Low	67 Å²	67	92.1 Å²	92.1	36%	0.358	53%	0.529	S	S	.	.			trans	-65	103.1	-170.8	-167.7	78.1	0	0	0	110.9	T179 R588 Q592	D177-T179 PolarHBondContact O-N 2.95Å; D177-T179 PolarHBondContact O-OG1 2.68Å; D177-T179 WeakPolarHBondContact OD2-CB 3.42Å; D177-T179 PolarHBondContact OD2-OG1 3.14Å; D177-R588 IonicContact OD1-CZ 3.79Å; D177-R588 IonicContact OD1-NE 3.36Å; D177-R588 IonicContact OD1-NH2 2.75Å; D177-R588 PolarHBondContact OD1-NH2 3.49Å; D177-Q592 PolarHBondContact OD1-NE2 2.93Å
178	N	53.8	Low	52.5	Low	82 Å²	82	83.8 Å²	83.8	44%	0.439	49%	0.489	S	S	.	.			trans	-75.6	61.6	176.9	-167.6	-7.7	0	0	0	110.7	E176 E180 G181 I182	E176-N178 PolarHBondContact O-N 2.96Å; N178-E180 PolarHBondContact O-N 3.21Å; N178-G181 PolarHBondContact O-N 2.69Å; N178-G181 VanDerWaalsContact O-N 3.1Å; N178-G181 WeakPolarHBondContact OD1-CA 3.48Å; N178-G181 PolarHBondContact OD1-N 3.17Å; N178-I182 WeakPolarHBondContact O-CG1 3.37Å; N178-I182 PolarHBondContact O-N 2.77Å
179	T	57.3	Low	54	Low	88 Å²	88	79.5 Å²	79.5	54%	0.54	45%	0.453	S	S	.	.	H	α-helix	trans	-62.1	-32.1	-177.8	-18.3	0	0	0	0	111.3	D177 S183	D177-T179 PolarHBondContact O-N 2.95Å; D177-T179 PolarHBondContact O-OG1 2.68Å; D177-T179 WeakPolarHBondContact OD2-CB 3.42Å; D177-T179 PolarHBondContact OD2-OG1 3.14Å; T179-S183 WeakPolarHBondContact O-CB 3.19Å; T179-S183 PolarHBondContact O-N 3.35Å
180	E	57.4	Low	55.4	Low	125 Å²	125	80.4 Å²	80.4	58%	0.584	44%	0.444	S	S	*	.	H	α-helix	trans	-62.6	-49	170.7	-78.1	-158	-153.7	0	0	112.1	N178 I182 S183 R184	N178-E180 PolarHBondContact O-N 3.21Å; E180-I182 VanDerWaalsContact C-N 3.32Å; E180-I182 PolarHBondContact O-N 3.18Å; E180-S183 WeakPolarHBondContact O-CB 3.35Å; E180-S183 PolarHBondContact O-N 2.83Å; E180-S183 VanDerWaalsContact O-N 3.1Å; E180-R184 WeakPolarHBondContact O-CG 3.33Å; E180-R184 PolarHBondContact O-N 3.48Å; E180-R184 IonicContact OE2-CZ 3.91Å; E180-R184 IonicContact OE2-NE 2.75Å; E180-R184 IonicContact OE2-NH2 3.26Å; E180-R184 PolarHBondContact OE2-NH2 3.11Å
181	G	61	Low	56.4	Low	6 Å²	6	82 Å²	82	6%	0.062	45%	0.45	C	S	.	.	H	α-helix	trans	-59.8	-42.3	177.4	0	0	0	0	0	112	N178 S183 R184 R185	N178-G181 PolarHBondContact O-N 2.69Å; N178-G181 VanDerWaalsContact O-N 3.1Å; N178-G181 WeakPolarHBondContact OD1-CA 3.48Å; N178-G181 PolarHBondContact OD1-N 3.17Å; G181-S183 VanDerWaalsContact C-N 3.34Å; G181-S183 PolarHBondContact O-N 2.97Å; G181-R184 PolarHBondContact O-N 3.45Å; G181-R185 WeakPolarHBondContact O-CB 3.22Å; G181-R185 WeakPolarHBondContact O-CD 3.39Å; G181-R185 WeakPolarHBondContact O-CG 3.33Å; G181-R185 PolarHBondContact O-N 3.34Å
182	I	64.4	Low	57.4	Low	43 Å²	43	76.4 Å²	76.4	22%	0.221	42%	0.415	C	S	.	.	H	α-helix	trans	-61.6	-42.4	173.2	-64.3	170.7	0	0	0	111	N178 E180 S186 Q592	N178-I182 WeakPolarHBondContact O-CG1 3.37Å; N178-I182 PolarHBondContact O-N 2.77Å; E180-I182 VanDerWaalsContact C-N 3.32Å; E180-I182 PolarHBondContact O-N 3.18Å; I182-S186 WeakPolarHBondContact O-CB 3.15Å; I182-S186 PolarHBondContact O-N 2.86Å; I182-Q592 HydrophobicContact CD1-CB 4.39Å; I182-Q592 HydrophobicContact CD1-CG 4.25Å
183	S	60.8	Low	58.4	Low	71 Å²	71	74.2 Å²	74.2	50%	0.497	41%	0.405	S	S	.	.	H	α-helix	trans	-62.8	-50.1	176.9	-170.8	0	0	0	0	111.9	T179 E180 G181 R185 S186 V187	T179-S183 WeakPolarHBondContact O-CB 3.19Å; T179-S183 PolarHBondContact O-N 3.35Å; E180-S183 WeakPolarHBondContact O-CB 3.35Å; E180-S183 PolarHBondContact O-N 2.83Å; E180-S183 VanDerWaalsContact O-N 3.1Å; G181-S183 VanDerWaalsContact C-N 3.34Å; G181-S183 PolarHBondContact O-N 2.97Å; S183-R185 PolarHBondContact O-N 2.94Å; S183-S186 WeakPolarHBondContact O-CB 3.45Å; S183-S186 PolarHBondContact O-N 3.27Å; S183-S186 VanDerWaalsContact O-N 3.13Å; S183-V187 WeakPolarHBondContact O-CG2 3.33Å; S183-V187 PolarHBondContact O-N 3.43Å
184	R	66.7	Low	59.3	Low	171 Å²	171	79.1 Å²	79.1	65%	0.645	41%	0.405	S	S	*	.	H	α-helix	trans	-58.9	-45.3	177.2	-66.3	174.8	-163.1	-162	4.8	111.6	E180 G181 S186 V187 Y188	E180-R184 WeakPolarHBondContact O-CG 3.33Å; E180-R184 PolarHBondContact O-N 3.48Å; E180-R184 IonicContact OE2-CZ 3.91Å; E180-R184 IonicContact OE2-NE 2.75Å; E180-R184 IonicContact OE2-NH2 3.26Å; E180-R184 PolarHBondContact OE2-NH2 3.11Å; G181-R184 PolarHBondContact O-N 3.45Å; R184-S186 VanDerWaalsContact C-N 3.35Å; R184-S186 PolarHBondContact O-N 2.97Å; R184-V187 PolarHBondContact O-N 3.45Å; R184-Y188 PolarHBondContact O-N 3.34Å
185	R	74.8	Confident	59.6	Low	20 Å²	20	82.7 Å²	82.7	8%	0.075	41%	0.414	C	S	.	.	H	α-helix	trans	-59.9	-41.8	173.7	-70.8	166.9	-172.9	177.2	-0	112.5	G181 S183 Y188 I189 L416 D504 C507 L596	G181-R185 WeakPolarHBondContact O-CB 3.22Å; G181-R185 WeakPolarHBondContact O-CD 3.39Å; G181-R185 WeakPolarHBondContact O-CG 3.33Å; G181-R185 PolarHBondContact O-N 3.34Å; S183-R185 PolarHBondContact O-N 2.94Å; R185-Y188 PolarHBondContact O-N 2.76Å; R185-I189 WeakPolarHBondContact O-CB 3.35Å; R185-I189 WeakPolarHBondContact O-CG1 3.37Å; R185-I189 PolarHBondContact O-N 3Å; R185-L416 HydrophobicContact CG-CD1 4.27Å; R185-D504 IonicContact CZ-OD2 2.65Å; R185-D504 VanDerWaalsContact CZ-OD2 3.25Å; R185-D504 IonicContact NE-OD2 3.32Å; R185-D504 PolarHBondContact NE-OD2 3.18Å; R185-D504 PolarHBondContact NH2-O 3.49Å; R185-D504 IonicContact NH2-OD2 3.82Å; R185-D504 PolarHBondContact NH2-OD2 2.71Å; R185-C507 PolarHBondContact NH1-O 3.16Å; R185-C507 VanDerWaalsContact NH2-C 3.26Å; R185-C507 PolarHBondContact NH2-O 3.35Å; R185-L596 HydrophobicContact CB-CD1 3.74Å; R185-L596 HydrophobicContact CB-CD2 3.92Å; R185-L596 HydrophobicContact CB-CG 4.47Å; R185-L596 HydrophobicContact CG-CD1 4.24Å
186	S	67.1	Low	59.9	Low	37 Å²	37	85.8 Å²	85.8	26%	0.259	41%	0.411	S	S	.	.	H	α-helix	trans	-64.9	-41	177.9	-170.1	0	0	0	0	111.6	I182 S183 R184 I189 Q190	I182-S186 WeakPolarHBondContact O-CB 3.15Å; I182-S186 PolarHBondContact O-N 2.86Å; S183-S186 WeakPolarHBondContact O-CB 3.45Å; S183-S186 PolarHBondContact O-N 3.27Å; S183-S186 VanDerWaalsContact O-N 3.13Å; R184-S186 VanDerWaalsContact C-N 3.35Å; R184-S186 PolarHBondContact O-N 2.97Å; S186-I189 PolarHBondContact O-N 3.48Å; S186-Q190 WeakPolarHBondContact O-CB 3.32Å; S186-Q190 WeakPolarHBondContact O-CG 3.43Å; S186-Q190 PolarHBondContact O-N 2.82Å; S186-Q190 PolarHBondContact OG-NE2 3.06Å
187	V	66.6	Low	59.9	Low	90 Å²	90	82.8 Å²	82.8	55%	0.545	41%	0.408	S	S	.	.	H	α-helix	trans	-63.1	-48	174.4	172.7	0	0	0	0	111	S183 R184 I189 Q190 S191	S183-V187 WeakPolarHBondContact O-CG2 3.33Å; S183-V187 PolarHBondContact O-N 3.43Å; R184-V187 PolarHBondContact O-N 3.45Å; V187-I189 PolarHBondContact O-N 3.14Å; V187-Q190 PolarHBondContact O-N 3.28Å; V187-S191 WeakPolarHBondContact O-CB 3.33Å; V187-S191 PolarHBondContact O-N 3.44Å; V187-S191 PolarHBondContact O-OG 3.06Å; V187-S191 VanDerWaalsContact O-OG 3.06Å
188	Y	73.1	Confident	59.9	Low	10 Å²	10	83.2 Å²	83.2	4%	0.039	43%	0.429	C	S	.	.	H	α-helix	trans	-54.7	-49.2	176.2	177.2	-97.9	0	0	0	112.3	R184 R185 S191 T192 E417 R418 R419 E487	R184-Y188 PolarHBondContact O-N 3.34Å; R185-Y188 PolarHBondContact O-N 2.76Å; Y188-S191 PolarHBondContact O-OG 3.25Å; Y188-T192 WeakPolarHBondContact O-CB 3.46Å; Y188-T192 PolarHBondContact O-N 2.8Å; Y188-T192 PolarHBondContact O-OG1 3Å; Y188-E417 PolarHBondContact OH-O 3.07Å; Y188-R418 HydrophobicContact CE1-CG 4.04Å; Y188-R418 WeakPolarHBondContact OH-CA 3.29Å; Y188-R419 PolarHBondContact OH-N 2.88Å; Y188-E487 HydrophobicContact CD2-CB 4.17Å; Y188-E487 VanDerWaalsContact CD2-CD 3.46Å; Y188-E487 HydrophobicContact CD2-CG 4.39Å; Y188-E487 WeakPolarHBondContact CD2-OE1 3.29Å; Y188-E487 VanDerWaalsContact CD2-OE2 3.31Å; Y188-E487 WeakPolarHBondContact CD2-OE2 3.42Å; Y188-E487 HydrophobicContact CE2-CB 3.83Å; Y188-E487 HydrophobicContact CE2-CG 4.49Å; Y188-E487 WeakPolarHBondContact CE2-OE2 3.47Å
189	I	69.9	Low	59.8	Low	5 Å²	5	81.8 Å²	81.8	3%	0.026	42%	0.418	C	S	.	.	H	α-helix	trans	-61.9	-44.8	179.1	-79.8	172.1	0	0	0	110.9	R185 S186 V187 L193 L416 L596 E599	R185-I189 WeakPolarHBondContact O-CB 3.35Å; R185-I189 WeakPolarHBondContact O-CG1 3.37Å; R185-I189 PolarHBondContact O-N 3Å; S186-I189 PolarHBondContact O-N 3.48Å; V187-I189 PolarHBondContact O-N 3.14Å; I189-L193 HydrophobicContact CB-CD1 4.37Å; I189-L193 HydrophobicContact CG1-CD1 4.17Å; I189-L193 HydrophobicContact CG2-CD1 4.16Å; I189-L193 WeakPolarHBondContact O-CA 3.4Å; I189-L193 WeakPolarHBondContact O-CB 3.24Å; I189-L193 WeakPolarHBondContact O-CG 3.26Å; I189-L193 PolarHBondContact O-N 3.04Å; I189-L416 HydrophobicContact CD1-CD2 4.36Å; I189-L596 HydrophobicContact CD1-CB 3.77Å; I189-L596 HydrophobicContact CD1-CD2 4.18Å; I189-E599 HydrophobicContact CG2-CB 3.57Å; I189-E599 HydrophobicContact CG2-CG 4.36Å
190	Q	64.8	Low	59.4	Low	140 Å²	140	85.7 Å²	85.7	65%	0.654	42%	0.422	S	S	*	.	H	α-helix	trans	-74.6	-31.2	-177.6	-70.2	175.2	15.3	0	0	113.9	S186 V187	S186-Q190 WeakPolarHBondContact O-CB 3.32Å; S186-Q190 WeakPolarHBondContact O-CG 3.43Å; S186-Q190 PolarHBondContact O-N 2.82Å; S186-Q190 PolarHBondContact OG-NE2 3.06Å; V187-Q190 PolarHBondContact O-N 3.28Å
191	S	57.6	Low	59.2	Low	74 Å²	74	80.2 Å²	80.2	52%	0.517	40%	0.397	S	S	.	.	H	α-helix	trans	-75	-40.4	175.2	62.9	0	0	0	0	111.9	V187 Y188	V187-S191 WeakPolarHBondContact O-CB 3.33Å; V187-S191 PolarHBondContact O-N 3.44Å; V187-S191 PolarHBondContact O-OG 3.06Å; V187-S191 VanDerWaalsContact O-OG 3.06Å; Y188-S191 PolarHBondContact O-OG 3.25Å
192	T	59.2	Low	58.6	Low	23 Å²	23	81 Å²	81	14%	0.141	40%	0.4	C	S	.	.	H	α-helix	trans	-90	-36.3	-169.9	-56.1	0	0	0	0	113.1	Y188 R194 P465 P467	Y188-T192 WeakPolarHBondContact O-CB 3.46Å; Y188-T192 PolarHBondContact O-N 2.8Å; Y188-T192 PolarHBondContact O-OG1 3Å; T192-R194 PolarHBondContact O-N 3.06Å; T192-P465 WeakPolarHBondContact CG2-O 3.34Å; T192-P467 HydrophobicContact CG2-CG 3.86Å
193	L	62.2	Low	58.1	Low	13 Å²	13	83.5 Å²	83.5	7%	0.068	41%	0.411	C	S	.	.			trans	-101.7	63.8	-168.7	-49.4	-178.6	0	0	0	112.9	I189 R195 E417 P467 T600	I189-L193 HydrophobicContact CB-CD1 4.37Å; I189-L193 HydrophobicContact CG1-CD1 4.17Å; I189-L193 HydrophobicContact CG2-CD1 4.16Å; I189-L193 WeakPolarHBondContact O-CA 3.4Å; I189-L193 WeakPolarHBondContact O-CB 3.24Å; I189-L193 WeakPolarHBondContact O-CG 3.26Å; I189-L193 PolarHBondContact O-N 3.04Å; L193-R195 PolarHBondContact O-N 3.32Å; L193-E417 HydrophobicContact CD1-CB 4.15Å; L193-E417 WeakPolarHBondContact CD1-OE2 3.47Å; L193-E417 HydrophobicContact CD2-CB 4.03Å; L193-E417 WeakPolarHBondContact CD2-OE2 3.4Å; L193-P467 HydrophobicContact CD2-CG 3.46Å; L193-P467 VanDerWaalsContact CD2-CG 3.46Å; L193-T600 HydrophobicContact CD1-CG2 4.42Å
194	R	55.3	Low	57.6	Low	220 Å²	220	85.7 Å²	85.7	83%	0.83	41%	0.408	S	S	*	.			trans	-64.9	102.8	169	-73.6	-167.5	176.1	-151.8	-0.4	110.5	T192 R196	T192-R194 PolarHBondContact O-N 3.06Å; R194-R196 PolarHBondContact O-N 2.89Å
195	R	49.2	Very low	57	Low	137 Å²	137	79.2 Å²	79.2	52%	0.517	39%	0.386	S	S	.	.			trans	-49.4	123.3	177.3	-61.2	-172.4	-177.3	-170.5	6.9	111.3	L193 P197 E599	L193-R195 PolarHBondContact O-N 3.32Å; R195-P197 WeakPolarHBondContact O-CD 3.27Å; R195-E599 IonicContact CZ-OE2 3.14Å; R195-E599 IonicContact NE-OE2 2.73Å; R195-E599 IonicContact NH2-OE1 2.77Å; R195-E599 IonicContact NH2-OE2 2.7Å; R195-E599 PolarHBondContact NH2-OE2 2.79Å
196	R	48.7	Very low	55.8	Low	184 Å²	184	80.2 Å²	80.2	69%	0.694	39%	0.393	S	S	*	.			trans	-89.9	117.2	172.5	-69.7	-172.8	177.8	-165.1	1.5	109.8	R194 G198	R194-R196 PolarHBondContact O-N 2.89Å; R196-G198 VanDerWaalsContact C-N 3.29Å; R196-G198 PolarHBondContact O-N 2.77Å
197	P	41.3	Very low	55.1	Low	132 Å²	132	81.9 Å²	81.9	86%	0.857	40%	0.398	S	S	*	.	S	Bend	trans	-68.4	-25.4	-179.7	-21.6	34	0	0	0	114.3	R195 Y199	R195-P197 WeakPolarHBondContact O-CD 3.27Å; P197-Y199 PolarHBondContact O-N 2.97Å
198	G	46.6	Very low	54.4	Low	77 Å²	77	82.4 Å²	82.4	79%	0.794	40%	0.395	S	S	*	.			trans	-80.2	43.4	-178.5	0	0	0	0	0	114.1	R196	R196-G198 VanDerWaalsContact C-N 3.29Å; R196-G198 PolarHBondContact O-N 2.77Å
199	Y	51.8	Low	53.4	Low	52 Å²	52	85.3 Å²	85.3	20%	0.204	41%	0.411	C	S	.	.			trans	-83.4	126.4	-176.1	-175.6	-95.5	0	0	0	112.3	P197 T201 Q447 Q608	P197-Y199 PolarHBondContact O-N 2.97Å; Y199-T201 HydrophobicContact CE1-CG2 3.67Å; Y199-Q447 HydrophobicContact CE2-CG 4.4Å; Y199-Q447 VanDerWaalsContact CE2-OE1 3.28Å; Y199-Q447 PolarHBondContact OH-NE2 2.86Å; Y199-Q447 PolarHBondContact OH-OE1 2.98Å; Y199-Q447 VanDerWaalsContact OH-OE1 3.11Å; Y199-Q608 PolarHBondContact O-NE2 3.47Å; Y199-Q608 VanDerWaalsContact O-NE2 3.14Å
200	R	49.5	Very low	52.6	Low	170 Å²	170	87.3 Å²	87.3	64%	0.642	42%	0.42	S	S	*	.			trans	-111.5	138.2	163.9	-65	-170.3	179.9	-163.9	4.6	108.7	L202 D205	R200-L202 PolarHBondContact O-N 2.92Å; R200-D205 WeakPolarHBondContact CD-OD2 3.44Å; R200-D205 IonicContact CZ-OD2 2.79Å; R200-D205 IonicContact NH1-OD2 3.85Å; R200-D205 PolarHBondContact NH1-OD2 2.92Å
201	T	52.1	Low	52	Low	9 Å²	9	85.7 Å²	85.7	6%	0.055	41%	0.412	C	S	.	.			trans	-67.3	103.4	172.4	40.4	0	0	0	0	109.8	Y199 E203 R204 D205 D609	Y199-T201 HydrophobicContact CE1-CG2 3.67Å; T201-E203 PolarHBondContact O-N 2.87Å; T201-E203 VanDerWaalsContact O-N 3.12Å; T201-R204 PolarHBondContact O-N 3.45Å; T201-R204 VanDerWaalsContact OG1-CB 3.29Å; T201-R204 WeakPolarHBondContact OG1-CB 3.43Å; T201-D205 PolarHBondContact O-N 3.09Å; T201-D609 HydrophobicContact CG2-CB 3.78Å
202	L	50	Low	51.7	Low	23 Å²	23	89.1 Å²	89.1	12%	0.12	42%	0.42	C	S	.	.	H	α-helix	trans	-47.9	-42.4	179.8	-65.6	171.9	0	0	0	112	R200 R204 L206 D293 G294	R200-L202 PolarHBondContact O-N 2.92Å; L202-R204 PolarHBondContact O-N 3.02Å; L202-L206 WeakPolarHBondContact O-CB 3.23Å; L202-L206 WeakPolarHBondContact O-CD1 3.41Å; L202-L206 WeakPolarHBondContact O-CG 3.4Å; L202-L206 PolarHBondContact O-N 3.12Å; L202-D293 WeakPolarHBondContact CD2-O 3.27Å; L202-G294 VanDerWaalsContact CD1-O 3.24Å; L202-G294 WeakPolarHBondContact CD1-O 3.2Å; L202-G294 VanDerWaalsContact CD2-C 3.43Å
203	E	52.3	Low	51.6	Low	96 Å²	96	94.4 Å²	94.4	45%	0.449	44%	0.441	S	S	.	.	H	α-helix	trans	-62.1	-38.3	178.9	-169.8	170.3	174.5	0	0	113.3	T201 I207 T445	T201-E203 PolarHBondContact O-N 2.87Å; T201-E203 VanDerWaalsContact O-N 3.12Å; E203-I207 HydrophobicContact CG-CD1 4.05Å; E203-I207 WeakPolarHBondContact O-CB 3.43Å; E203-I207 WeakPolarHBondContact O-CD1 3.31Å; E203-I207 WeakPolarHBondContact O-CG1 3.34Å; E203-I207 PolarHBondContact O-N 3.44Å; E203-T445 PolarHBondContact OE2-OG1 2.89Å
204	R	51.3	Low	51.5	Low	116 Å²	116	100.4 Å²	100.4	44%	0.438	47%	0.469	S	S	.	.	H	α-helix	trans	-71.8	-46.7	179	-170	-158.8	69.3	178.5	-0.3	111.6	T201 L202 L206 I207 Q208	T201-R204 PolarHBondContact O-N 3.45Å; T201-R204 VanDerWaalsContact OG1-CB 3.29Å; T201-R204 WeakPolarHBondContact OG1-CB 3.43Å; L202-R204 PolarHBondContact O-N 3.02Å; R204-L206 VanDerWaalsContact C-N 3.27Å; R204-L206 PolarHBondContact O-N 2.77Å; R204-I207 PolarHBondContact O-N 2.85Å; R204-Q208 WeakPolarHBondContact O-CB 3.48Å; R204-Q208 PolarHBondContact O-N 3.38Å
205	D	52.9	Low	52.3	Low	35 Å²	35	94.1 Å²	94.1	19%	0.187	45%	0.449	C	S	.	.	H	α-helix	trans	-68.7	-29.5	178.2	-75.3	26.4	0	0	0	110.4	R200 T201 L209	R200-D205 WeakPolarHBondContact CD-OD2 3.44Å; R200-D205 IonicContact CZ-OD2 2.79Å; R200-D205 IonicContact NH1-OD2 3.85Å; R200-D205 PolarHBondContact NH1-OD2 2.92Å; T201-D205 PolarHBondContact O-N 3.09Å; D205-L209 WeakPolarHBondContact O-CB 3.47Å; D205-L209 WeakPolarHBondContact O-CD1 3.37Å; D205-L209 VanDerWaalsContact O-CG 3.26Å; D205-L209 WeakPolarHBondContact O-CG 3.38Å; D205-L209 PolarHBondContact O-N 3.44Å
206	L	51.2	Low	53.9	Low	41 Å²	41	87.6 Å²	87.6	22%	0.215	42%	0.424	C	S	.	.	H	α-helix	trans	-66.2	-49.4	168.2	-79.4	168.8	0	0	0	112.8	L202 R204 Q208 L209 Q210 K322	L202-L206 WeakPolarHBondContact O-CB 3.23Å; L202-L206 WeakPolarHBondContact O-CD1 3.41Å; L202-L206 WeakPolarHBondContact O-CG 3.4Å; L202-L206 PolarHBondContact O-N 3.12Å; R204-L206 VanDerWaalsContact C-N 3.27Å; R204-L206 PolarHBondContact O-N 2.77Å; L206-Q208 VanDerWaalsContact C-N 3.29Å; L206-Q208 PolarHBondContact O-N 2.95Å; L206-L209 PolarHBondContact O-N 2.93Å; L206-Q210 VanDerWaalsContact O-CB 3.24Å; L206-Q210 WeakPolarHBondContact O-CB 3.35Å; L206-Q210 PolarHBondContact O-N 2.75Å; L206-K322 HydrophobicContact CD2-CB 3.82Å; L206-K322 HydrophobicContact CD2-CD 4.2Å
207	I	52	Low	55.7	Low	73 Å²	73	78.9 Å²	78.9	37%	0.374	39%	0.391	S	S	.	.	H	α-helix	trans	-58.7	-42.9	177.2	-74.3	163.7	0	0	0	110.5	E203 R204 Q210 Q211	E203-I207 HydrophobicContact CG-CD1 4.05Å; E203-I207 WeakPolarHBondContact O-CB 3.43Å; E203-I207 WeakPolarHBondContact O-CD1 3.31Å; E203-I207 WeakPolarHBondContact O-CG1 3.34Å; E203-I207 PolarHBondContact O-N 3.44Å; R204-I207 PolarHBondContact O-N 2.85Å; I207-Q210 PolarHBondContact O-N 3.19Å; I207-Q211 WeakPolarHBondContact O-CB 3.45Å; I207-Q211 VanDerWaalsContact O-CG 3.28Å; I207-Q211 WeakPolarHBondContact O-CG 3.32Å; I207-Q211 PolarHBondContact O-N 2.84Å
208	Q	52.3	Low	57.8	Low	101 Å²	101	75 Å²	75	47%	0.472	36%	0.362	S	S	.	.	H	α-helix	trans	-66.3	-39.5	177.6	-168.1	171.4	9.6	0	0	112.2	R204 L206 Q212	R204-Q208 WeakPolarHBondContact O-CB 3.48Å; R204-Q208 PolarHBondContact O-N 3.38Å; L206-Q208 VanDerWaalsContact C-N 3.29Å; L206-Q208 PolarHBondContact O-N 2.95Å; Q208-Q212 WeakPolarHBondContact O-CB 3.38Å; Q208-Q212 WeakPolarHBondContact O-CG 3.5Å; Q208-Q212 PolarHBondContact O-N 3.27Å
209	L	51.6	Low	59.8	Low	70 Å²	70	71.7 Å²	71.7	37%	0.366	33%	0.326	S	S	.	.	H	α-helix	trans	-64.9	-39.7	172.4	-80.9	168.2	0	0	0	112.6	D205 L206 Q212 K213	D205-L209 WeakPolarHBondContact O-CB 3.47Å; D205-L209 WeakPolarHBondContact O-CD1 3.37Å; D205-L209 VanDerWaalsContact O-CG 3.26Å; D205-L209 WeakPolarHBondContact O-CG 3.38Å; D205-L209 PolarHBondContact O-N 3.44Å; L206-L209 PolarHBondContact O-N 2.93Å; L209-Q212 PolarHBondContact O-N 3.31Å; L209-K213 WeakPolarHBondContact O-CB 3.33Å; L209-K213 PolarHBondContact O-N 3.12Å
210	Q	53	Low	61.8	Low	48 Å²	48	69.6 Å²	69.6	22%	0.224	32%	0.318	C	S	.	.	H	α-helix	trans	-69.9	-31.8	179.8	-174.5	171.6	10.4	0	0	112	L206 I207 L323 F359	L206-Q210 VanDerWaalsContact O-CB 3.24Å; L206-Q210 WeakPolarHBondContact O-CB 3.35Å; L206-Q210 PolarHBondContact O-N 2.75Å; I207-Q210 PolarHBondContact O-N 3.19Å; Q210-L323 HydrophobicContact CB-CD2 4.3Å; Q210-L323 HydrophobicContact CG-CD2 3.95Å; Q210-L323 HydrophobicContact CG-CG 4.43Å; Q210-F359 HydrophobicContact CG-CD1 4.42Å
211	Q	52.1	Low	64	Low	105 Å²	105	61.5 Å²	61.5	49%	0.491	29%	0.287	S	S	.	.	H	α-helix	trans	-72.9	-38.7	169.6	-71.8	164.6	-3.3	0	0	112.3	Y38 I207	Y38-Q211 PolarHBondContact OH-NE2 2.75Å; I207-Q211 WeakPolarHBondContact O-CB 3.45Å; I207-Q211 VanDerWaalsContact O-CG 3.28Å; I207-Q211 WeakPolarHBondContact O-CG 3.32Å; I207-Q211 PolarHBondContact O-N 2.84Å
212	Q	51.9	Low	66	Low	146 Å²	146	61.1 Å²	61.1	68%	0.682	29%	0.285	S	S	*	.	H	α-helix	trans	-79.6	-25.9	179.2	-77.7	-168.9	-27.1	0	0	114.8	Q208 L209	Q208-Q212 WeakPolarHBondContact O-CB 3.38Å; Q208-Q212 WeakPolarHBondContact O-CG 3.5Å; Q208-Q212 PolarHBondContact O-N 3.27Å; L209-Q212 PolarHBondContact O-N 3.31Å
213	K	55.7	Low	68.1	Low	135 Å²	135	60 Å²	60	59%	0.587	28%	0.279	S	S	*	.			trans	-129.2	96.1	-177.9	-65.5	-168.7	177.5	-170.7	0	110.7	L209 Q215	L209-K213 WeakPolarHBondContact O-CB 3.33Å; L209-K213 PolarHBondContact O-N 3.12Å; K213-Q215 PolarHBondContact O-N 3.33Å
214	Q	60.7	Low	70.1	Confident	139 Å²	139	56.5 Å²	56.5	65%	0.65	27%	0.265	S	S	*	.			trans	-69.2	17.7	-176.9	-59.5	-179.4	-8.8	0	0	115.3	F359	Q214-F359 PolarHBondContact O-N 3.47Å
215	Q	72.1	Confident	72	Confident	87 Å²	87	51.6 Å²	51.6	41%	0.407	25%	0.248	S	C	.	.	B	Isolated β-bridge	trans	-87.9	129	-174.9	-68.6	177.5	-39.3	0	0	111.6	K213 F217	K213-Q215 PolarHBondContact O-N 3.33Å; Q215-F217 VanDerWaalsContact C-N 3.29Å; Q215-F217 PolarHBondContact O-N 3.3Å
216	L	82.2	Confident	73.6	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	26%	0.261	C	S	.	.	S	Bend	trans	-58.5	-37.4	178.2	-62.9	-172.5	0	0	0	113.3	S321 L323 F329 I332 V354 A357 F359 L382	L216-S321 WeakPolarHBondContact O-CB 3.31Å; L216-S321 PolarHBondContact O-OG 2.71Å; L216-L323 WeakPolarHBondContact O-CD1 3.39Å; L216-F329 HydrophobicContact CB-CE1 4.45Å; L216-F329 WeakPolarHBondContact O-CE1 3.45Å; L216-F329 WeakPolarHBondContact O-CZ 3.48Å; L216-I332 HydrophobicContact CD1-CD1 4.38Å; L216-V354 HydrophobicContact CD1-CG1 3.7Å; L216-V354 WeakPolarHBondContact CD1-O 3.47Å; L216-A357 HydrophobicContact CD1-CB 4.4Å; L216-F359 HydrophobicContact CD2-CB 3.89Å; L216-F359 HydrophobicContact CD2-CD2 3.61Å; L216-F359 HydrophobicContact CD2-CG 4.21Å; L216-L382 HydrophobicContact CD1-CD1 3.85Å
217	F	87.1	Confident	75.2	Confident	1 Å²	1	59.1 Å²	59.1	0%	0.004	27%	0.274	C	S	.	.			trans	-149.4	165.7	-176.1	69.4	-86.9	0	0	0	111.4	Q215 F220 F242 I319 F329 M351 V354 M355	Q215-F217 VanDerWaalsContact C-N 3.29Å; Q215-F217 PolarHBondContact O-N 3.3Å; F217-F220 HydrophobicContact CD2-CB 4.38Å; F217-F220 HydrophobicContact CE2-CB 3.79Å; F217-F220 HydrophobicContact CZ-CB 4.44Å; F217-F242 HydrophobicContact CE2-CD1 4.08Å; F217-F242 HydrophobicContact CE2-CE1 4.36Å; F217-F242 AromaticContact CZ-CD1 3.95Å; F217-F242 HydrophobicContact CZ-CD1 3.95Å; F217-F242 AromaticContact CZ-CE1 3.92Å; F217-F242 HydrophobicContact CZ-CE1 3.92Å; F217-I319 HydrophobicContact CB-CG2 3.42Å; F217-I319 VanDerWaalsContact CB-CG2 3.42Å; F217-I319 HydrophobicContact CD1-CG2 4.41Å; F217-I319 HydrophobicContact CD2-CG2 4.24Å; F217-I319 HydrophobicContact CG-CG2 3.79Å; F217-F329 HydrophobicContact CB-CE1 4.3Å; F217-M351 HydrophobicContact CD1-CE 4.32Å; F217-M351 HydrophobicContact CE1-CE 3.64Å; F217-M351 HydrophobicContact CE2-CE 4.18Å; F217-M351 HydrophobicContact CZ-CB 4.48Å; F217-M351 HydrophobicContact CZ-CE 3.55Å; F217-V354 HydrophobicContact CD1-CG1 4.15Å; F217-V354 HydrophobicContact CE1-CB 4.25Å; F217-V354 HydrophobicContact CE1-CG1 3.78Å; F217-M355 HydrophobicContact CE1-CB 3.82Å; F217-M355 HydrophobicContact CE1-CG 4.36Å; F217-M355 HydrophobicContact CZ-CB 3.84Å; F217-M355 HydrophobicContact CZ-CG 4.23Å
218	Q	84.6	Confident	76.5	Confident	52 Å²	52	57.2 Å²	57.2	24%	0.243	27%	0.265	C	S	.	.	S	Bend	trans	-102.4	-42.3	-178.2	-73.8	75.8	78.2	0	0	112.2	F246 V320	Q218-F246 HydrophobicContact CB-CE2 4.45Å; Q218-V320 PolarHBondContact N-O 3.07Å
219	I	89.9	Confident	77.6	Confident	6 Å²	6	59.5 Å²	59.5	3%	0.031	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	140.8	179.3	-43.7	-178.1	0	0	0	109.3	V221 Q241 F246 L260 V320	I219-V221 HydrophobicContact CG2-CG1 3.75Å; I219-Q241 HydrophobicContact CG2-CG 3.89Å; I219-F246 HydrophobicContact CD1-CD2 3.96Å; I219-F246 HydrophobicContact CD1-CE2 4.07Å; I219-F246 HydrophobicContact CG1-CD2 3.74Å; I219-F246 HydrophobicContact CG1-CE2 3.73Å; I219-L260 HydrophobicContact CD1-CD1 4.19Å; I219-L260 HydrophobicContact CD1-CD2 4.44Å; I219-V320 HydrophobicContact CB-CB 4.22Å; I219-V320 HydrophobicContact CB-CG2 4.29Å; I219-V320 PolarHBondContact N-O 2.69Å; I219-V320 WeakPolarHBondContact O-CB 3.34Å; I219-V320 PolarHBondContact O-N 3.43Å
220	F	93.7	Very high	78.4	Confident	9 Å²	9	62.7 Å²	62.7	4%	0.039	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	130.5	162.4	171	-105	0	0	0	108.6	F217 V222 Q241 F242 H317 C318 I319 L333 V336 V347 M351	F217-F220 HydrophobicContact CD2-CB 4.38Å; F217-F220 HydrophobicContact CE2-CB 3.79Å; F217-F220 HydrophobicContact CZ-CB 4.44Å; F220-V222 HydrophobicContact CE1-CG2 4.08Å; F220-V222 HydrophobicContact CZ-CG2 4.3Å; F220-Q241 CarbonylContact O-C 3.56Å; F220-Q241 WeakPolarHBondContact O-CA 3.46Å; F220-F242 HydrophobicContact CB-CB 4.35Å; F220-F242 HydrophobicContact CD1-CB 4.19Å; F220-F242 PolarHBondContact N-O 3.34Å; F220-F242 PolarHBondContact O-N 3.31Å; F220-H317 HydrophobicContact CE2-CB 4.06Å; F220-H317 HydrophobicContact CZ-CB 4.24Å; F220-H317 AromaticContact CZ-CD2 3.83Å; F220-C318 CarbonylContact C-O 3.53Å; F220-C318 WeakPolarHBondContact CA-O 3.37Å; F220-C318 WeakPolarHBondContact CD2-O 3.37Å; F220-I319 HydrophobicContact CD2-CG1 3.74Å; F220-I319 HydrophobicContact CE2-CG1 4.33Å; F220-L333 HydrophobicContact CE2-CD2 4.42Å; F220-V336 HydrophobicContact CE2-CG1 4.35Å; F220-V336 HydrophobicContact CE2-CG2 4.33Å; F220-V336 HydrophobicContact CZ-CG1 3.94Å; F220-V336 HydrophobicContact CZ-CG2 4.3Å; F220-V347 HydrophobicContact CE1-CG1 3.77Å; F220-V347 HydrophobicContact CZ-CG1 3.81Å; F220-M351 HydrophobicContact CB-CE 4.04Å; F220-M351 HydrophobicContact CD1-CG 3.91Å; F220-M351 HydrophobicContact CD2-CE 3.85Å; F220-M351 HydrophobicContact CD2-CG 4.47Å; F220-M351 HydrophobicContact CD2-SD 4.39Å; F220-M351 HydrophobicContact CE1-CG 3.97Å; F220-M351 HydrophobicContact CE2-CE 4.4Å; F220-M351 HydrophobicContact CE2-CG 4.5Å; F220-M351 HydrophobicContact CE2-SD 4.4Å; F220-M351 HydrophobicContact CG-CE 3.95Å; F220-M351 HydrophobicContact CG-CG 4.15Å; F220-M351 HydrophobicContact CZ-CG 4.24Å
221	V	94.4	Very high	78.9	Confident	0 Å²	0	62 Å²	62	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	151.4	177.5	-58.7	0	0	0	0	111.3	I219 V223 I238 Q240 Q241 L260 I263 C318	I219-V221 HydrophobicContact CG2-CG1 3.75Å; V221-V223 HydrophobicContact CG2-CG2 4.08Å; V221-I238 HydrophobicContact CB-CG2 4.17Å; V221-I238 HydrophobicContact CG1-CD1 4.3Å; V221-I238 HydrophobicContact CG1-CG2 4.24Å; V221-Q240 CarbonylContact C-O 3.56Å; V221-Q240 WeakPolarHBondContact CA-O 3.45Å; V221-Q241 HydrophobicContact CG1-CB 4.48Å; V221-Q241 HydrophobicContact CG1-CG 4.23Å; V221-L260 HydrophobicContact CG1-CD1 4.33Å; V221-I263 HydrophobicContact CG2-CG2 3.87Å; V221-C318 HydrophobicContact CG2-CB 3.76Å; V221-C318 PolarHBondContact N-O 2.76Å; V221-C318 PolarHBondContact O-N 3.07Å
222	V	94.9	Very high	79.7	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	118.2	164.9	-171.8	0	0	0	0	107	F220 T239 Q240 E315 V316	F220-V222 HydrophobicContact CE1-CG2 4.08Å; F220-V222 HydrophobicContact CZ-CG2 4.3Å; V222-T239 PolarHBondContact O-N 2.8Å; V222-T239 PolarHBondContact O-OG1 2.68Å; V222-Q240 HydrophobicContact CB-CB 3.94Å; V222-Q240 HydrophobicContact CB-CG 4.23Å; V222-Q240 HydrophobicContact CG2-CB 3.89Å; V222-Q240 HydrophobicContact CG2-CG 4.32Å; V222-Q240 PolarHBondContact N-O 2.93Å; V222-Q240 PolarHBondContact O-N 3.5Å; V222-E315 HydrophobicContact CG1-CB 4.49Å; V222-E315 HydrophobicContact CG1-CG 4.48Å; V222-V316 WeakPolarHBondContact CA-O 3.41Å
223	V	95.2	Very high	81.1	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	134.8	174.2	-172.1	0	0	0	0	108.3	V221 P236 E237 I263 P264 C267 F268 E315 V316	V221-V223 HydrophobicContact CG2-CG2 4.08Å; V223-P236 HydrophobicContact CG1-CB 3.94Å; V223-E237 CarbonylContact C-O 3.59Å; V223-E237 VanDerWaalsContact CA-O 3.31Å; V223-E237 WeakPolarHBondContact CA-O 3.42Å; V223-E237 WeakPolarHBondContact CG1-O 3.21Å; V223-I263 HydrophobicContact CG2-CG2 4.37Å; V223-P264 HydrophobicContact CG1-CB 3.8Å; V223-P264 HydrophobicContact CG1-CG 4.43Å; V223-C267 HydrophobicContact CB-CB 4.03Å; V223-C267 HydrophobicContact CG1-CB 4.18Å; V223-C267 HydrophobicContact CG2-CB 4.05Å; V223-F268 HydrophobicContact CB-CD2 4.47Å; V223-F268 HydrophobicContact CB-CE2 3.96Å; V223-F268 HydrophobicContact CG1-CD2 3.79Å; V223-F268 HydrophobicContact CG1-CE2 3.62Å; V223-E315 WeakPolarHBondContact O-CA 3.08Å; V223-V316 PolarHBondContact N-O 3.29Å; V223-V316 PolarHBondContact O-N 2.78Å
224	S	93.2	Very high	82.6	Confident	22 Å²	22	56 Å²	56	15%	0.154	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	150.4	177.3	-37.4	0	0	0	0	110.6	R226 E237 T239	S224-R226 PolarHBondContact O-N 3.42Å; S224-E237 PolarHBondContact N-O 3.2Å; S224-E237 PolarHBondContact O-N 2.96Å; S224-T239 WeakPolarHBondContact OG-CG2 3.41Å; S224-T239 PolarHBondContact OG-OG1 3.07Å
225	L	91.3	Very high	83.9	Confident	14 Å²	14	51 Å²	51	7%	0.073	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	115.6	178.4	-67.4	163.9	0	0	0	110.4	S235 P236 F268 W274 L313 P314	L225-S235 WeakPolarHBondContact CA-O 3.29Å; L225-P236 HydrophobicContact CD2-CB 4.18Å; L225-F268 HydrophobicContact CD1-CD1 3.93Å; L225-F268 HydrophobicContact CD1-CE1 3.68Å; L225-F268 HydrophobicContact CD1-CZ 4.31Å; L225-F268 HydrophobicContact CD2-CB 4.48Å; L225-F268 HydrophobicContact CD2-CD1 3.98Å; L225-F268 HydrophobicContact CD2-CD2 4.42Å; L225-F268 HydrophobicContact CD2-CE1 4.29Å; L225-F268 HydrophobicContact CD2-CG 4.04Å; L225-F268 HydrophobicContact CG-CD1 3.99Å; L225-F268 HydrophobicContact CG-CE1 3.79Å; L225-F268 HydrophobicContact CG-CE2 4.43Å; L225-F268 HydrophobicContact CG-CG 4.4Å; L225-F268 HydrophobicContact CG-CZ 4.01Å; L225-W274 HydrophobicContact CD1-CB 3.89Å; L225-W274 HydrophobicContact CD1-CD2 3.5Å; L225-W274 VanDerWaalsContact CD1-CD2 3.5Å; L225-W274 HydrophobicContact CD1-CE3 3.73Å; L225-W274 HydrophobicContact CD1-CG 3.55Å; L225-W274 HydrophobicContact CD2-CD2 4.27Å; L225-W274 HydrophobicContact CD2-CG 3.96Å; L225-W274 HydrophobicContact CG-CG 4.39Å; L225-L313 HydrophobicContact CB-CB 4.36Å; L225-L313 HydrophobicContact CB-CD1 4.02Å; L225-L313 HydrophobicContact CD1-CB 4.33Å; L225-L313 HydrophobicContact CD1-CD2 4.28Å; L225-P314 HydrophobicContact CD1-CG 4.19Å
226	R	87.3	Confident	84.9	Confident	123 Å²	123	48.5 Å²	48.5	46%	0.464	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	152.9	170.9	-62.8	-151.2	-158.2	-117.3	-1.4	110.8	S224 Y234 S235 E237	S224-R226 PolarHBondContact O-N 3.42Å; R226-Y234 CarbonylContact O-C 3.6Å; R226-Y234 WeakPolarHBondContact O-CA 3.48Å; R226-Y234 WeakPolarHBondContact O-CD1 3.5Å; R226-S235 PolarHBondContact N-O 3.03Å; R226-S235 PolarHBondContact O-N 3.01Å; R226-S235 PolarHBondContact O-OG 3.21Å; R226-E237 WeakPolarHBondContact CD-OE2 3.3Å; R226-E237 HydrophobicContact CG-CB 4.38Å; R226-E237 IonicContact CZ-OE2 3.25Å; R226-E237 IonicContact NE-OE2 2.95Å; R226-E237 PolarHBondContact NE-OE2 3.12Å
227	K	85.1	Confident	85.4	Confident	111 Å²	111	51.9 Å²	51.9	48%	0.483	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	132.7	174.4	-164.2	-170	-177.9	-164.3	0	109.7	G231 N232 Y234	K227-G231 WeakPolarHBondContact CE-O 3.21Å; K227-N232 VanDerWaalsContact CE-OD1 3.23Å; K227-N232 WeakPolarHBondContact CE-OD1 3.36Å; K227-N232 PolarHBondContact NZ-OD1 2.85Å; K227-Y234 HydrophobicContact CB-CD1 4.18Å; K227-Y234 HydrophobicContact CB-CE1 3.92Å; K227-Y234 HydrophobicContact CG-CE1 4.24Å
228	T	79.3	Confident	85.7	Confident	33 Å²	33	54.2 Å²	54.2	20%	0.202	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-66.7	148.2	174.6	60.6	0	0	0	0	111.1	T230 T233	T228-T230 VanDerWaalsContact C-N 3.29Å; T228-T230 PolarHBondContact O-N 2.79Å; T228-T233 PolarHBondContact N-O 3.1Å; T228-T233 PolarHBondContact OG1-O 2.94Å; T228-T233 PolarHBondContact OG1-OG1 3.32Å
229	T	73.8	Confident	86	Confident	149 Å²	149	54.1 Å²	54.1	91%	0.914	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-19.7	178.4	42.3	0	0	0	0	113.4
230	T	68.1	Low	86.1	Confident	137 Å²	137	57.9 Å²	57.9	84%	0.84	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.8	1	-174.6	48.7	0	0	0	0	114.2	T228	T228-T230 VanDerWaalsContact C-N 3.29Å; T228-T230 PolarHBondContact O-N 2.79Å
231	G	64.1	Low	85.9	Confident	32 Å²	32	60.1 Å²	60.1	33%	0.33	33%	0.325	S	S	.	.	S	Bend	trans	-161.7	-166	-176.5	0	0	0	0	0	115.2	K227	K227-G231 WeakPolarHBondContact CE-O 3.21Å
232	N	69.9	Low	85.6	Confident	129 Å²	129	60.6 Å²	60.6	69%	0.69	33%	0.327	S	S	*	.	S	Bend	trans	-99.6	6.8	169.9	-86.9	-19	0	0	0	113	K227	K227-N232 VanDerWaalsContact CE-OD1 3.23Å; K227-N232 WeakPolarHBondContact CE-OD1 3.36Å; K227-N232 PolarHBondContact NZ-OD1 2.85Å
233	T	81.3	Confident	85.1	Confident	66 Å²	66	61.9 Å²	61.9	41%	0.405	34%	0.336	S	S	.	.			trans	-81	165.8	180	56.4	0	0	0	0	112.1	T228	T228-T233 PolarHBondContact N-O 3.1Å; T228-T233 PolarHBondContact OG1-O 2.94Å; T228-T233 PolarHBondContact OG1-OG1 3.32Å
234	Y	87	Confident	83.9	Confident	67 Å²	67	69.6 Å²	69.6	26%	0.263	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	132.5	179	-67.7	-83.6	0	0	0	112.2	R226 K227 W274 L313	R226-Y234 CarbonylContact O-C 3.6Å; R226-Y234 WeakPolarHBondContact O-CA 3.48Å; R226-Y234 WeakPolarHBondContact O-CD1 3.5Å; K227-Y234 HydrophobicContact CB-CD1 4.18Å; K227-Y234 HydrophobicContact CB-CE1 3.92Å; K227-Y234 HydrophobicContact CG-CE1 4.24Å; Y234-W274 HydrophobicContact CD2-CB 4.04Å; Y234-W274 WeakPolarHBondContact CD2-O 3.38Å; Y234-W274 WeakPolarHBondContact CE2-O 3.17Å; Y234-W274 HydrophobicContact CG-CB 4.39Å; Y234-L313 HydrophobicContact CD1-CD1 3.61Å; Y234-L313 HydrophobicContact CE1-CD1 3.39Å; Y234-L313 HydrophobicContact CG-CD1 4.31Å
235	S	88.2	Confident	82.1	Confident	32 Å²	32	75.5 Å²	75.5	22%	0.224	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	133.8	173.2	43.2	0	0	0	0	110.8	L225 R226 E237	L225-S235 WeakPolarHBondContact CA-O 3.29Å; R226-S235 PolarHBondContact N-O 3.03Å; R226-S235 PolarHBondContact O-N 3.01Å; R226-S235 PolarHBondContact O-OG 3.21Å; S235-E237 PolarHBondContact OG-OE1 2.69Å; S235-E237 VanDerWaalsContact OG-OE1 3.08Å
236	P	92.8	Very high	80.2	Confident	36 Å²	36	78.6 Å²	78.6	23%	0.234	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	128.4	169.5	31.8	-33.2	0	0	0	110.2	V223 L225 P264 F268	V223-P236 HydrophobicContact CG1-CB 3.94Å; L225-P236 HydrophobicContact CD2-CB 4.18Å; P236-P264 HydrophobicContact CB-CB 4.09Å; P236-P264 WeakPolarHBondContact CB-O 3.29Å; P236-P264 HydrophobicContact CG-CB 4.3Å; P236-P264 WeakPolarHBondContact CG-O 3.35Å; P236-P264 VanDerWaalsContact O-CB 3.28Å; P236-P264 WeakPolarHBondContact O-CB 3.39Å; P236-F268 HydrophobicContact CB-CB 3.96Å; P236-F268 HydrophobicContact CB-CD2 3.5Å; P236-F268 HydrophobicContact CB-CE2 4.34Å; P236-F268 HydrophobicContact CB-CG 4Å; P236-F268 HydrophobicContact CG-CB 4.25Å
237	E	92	Very high	78.3	Confident	71 Å²	71	79.5 Å²	79.5	33%	0.332	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	149	-178.7	-70.8	171.6	-143.5	0	0	111.6	V223 S224 R226 S235 T239	V223-E237 CarbonylContact C-O 3.59Å; V223-E237 VanDerWaalsContact CA-O 3.31Å; V223-E237 WeakPolarHBondContact CA-O 3.42Å; V223-E237 WeakPolarHBondContact CG1-O 3.21Å; S224-E237 PolarHBondContact N-O 3.2Å; S224-E237 PolarHBondContact O-N 2.96Å; R226-E237 WeakPolarHBondContact CD-OE2 3.3Å; R226-E237 HydrophobicContact CG-CB 4.38Å; R226-E237 IonicContact CZ-OE2 3.25Å; R226-E237 IonicContact NE-OE2 2.95Å; R226-E237 PolarHBondContact NE-OE2 3.12Å; S235-E237 PolarHBondContact OG-OE1 2.69Å; S235-E237 VanDerWaalsContact OG-OE1 3.08Å; E237-T239 PolarHBondContact O-N 3.16Å
238	I	93.5	Very high	76.3	Confident	50 Å²	50	83.7 Å²	83.7	26%	0.256	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	113.6	170.5	-55.6	-179.6	0	0	0	108.4	V221 Q240 Q241 L260 P264	V221-I238 HydrophobicContact CB-CG2 4.17Å; V221-I238 HydrophobicContact CG1-CD1 4.3Å; V221-I238 HydrophobicContact CG1-CG2 4.24Å; I238-Q240 WeakPolarHBondContact CG2-O 3.46Å; I238-Q241 HydrophobicContact CG2-CB 4.38Å; I238-L260 HydrophobicContact CD1-CD1 3.82Å; I238-L260 HydrophobicContact CD1-CG 4.25Å; I238-P264 HydrophobicContact CD1-CG 4.33Å; I238-P264 HydrophobicContact CG1-CG 3.71Å
239	T	91.3	Very high	74.5	Confident	49 Å²	49	85.8 Å²	85.8	30%	0.301	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	-23.9	177.8	62.4	0	0	0	0	112.9	V222 S224 E237	V222-T239 PolarHBondContact O-N 2.8Å; V222-T239 PolarHBondContact O-OG1 2.68Å; S224-T239 WeakPolarHBondContact OG-CG2 3.41Å; S224-T239 PolarHBondContact OG-OG1 3.07Å; E237-T239 PolarHBondContact O-N 3.16Å
240	Q	90.9	Very high	73.2	Confident	85 Å²	85	84.3 Å²	84.3	40%	0.397	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	147.2	174.1	-48.2	-179.8	34.8	0	0	110.3	V221 V222 I238	V221-Q240 CarbonylContact C-O 3.56Å; V221-Q240 WeakPolarHBondContact CA-O 3.45Å; V222-Q240 HydrophobicContact CB-CB 3.94Å; V222-Q240 HydrophobicContact CB-CG 4.23Å; V222-Q240 HydrophobicContact CG2-CB 3.89Å; V222-Q240 HydrophobicContact CG2-CG 4.32Å; V222-Q240 PolarHBondContact N-O 2.93Å; V222-Q240 PolarHBondContact O-N 3.5Å; I238-Q240 WeakPolarHBondContact CG2-O 3.46Å
241	Q	90.7	Very high	72.2	Confident	57 Å²	57	88.8 Å²	88.8	27%	0.266	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	140.6	176.6	-179.3	176.5	-16.8	0	0	110.4	I219 F220 V221 I238	I219-Q241 HydrophobicContact CG2-CG 3.89Å; F220-Q241 CarbonylContact O-C 3.56Å; F220-Q241 WeakPolarHBondContact O-CA 3.46Å; V221-Q241 HydrophobicContact CG1-CB 4.48Å; V221-Q241 HydrophobicContact CG1-CG 4.23Å; I238-Q241 HydrophobicContact CG2-CB 4.38Å
242	F	86.9	Confident	71.8	Confident	9 Å²	9	90.6 Å²	90.6	4%	0.039	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	129.6	172.4	177.1	-96.7	0	0	0	110.1	F217 F220 Y348 M351 R352 M355	F217-F242 HydrophobicContact CE2-CD1 4.08Å; F217-F242 HydrophobicContact CE2-CE1 4.36Å; F217-F242 AromaticContact CZ-CD1 3.95Å; F217-F242 HydrophobicContact CZ-CD1 3.95Å; F217-F242 AromaticContact CZ-CE1 3.92Å; F217-F242 HydrophobicContact CZ-CE1 3.92Å; F220-F242 HydrophobicContact CB-CB 4.35Å; F220-F242 HydrophobicContact CD1-CB 4.19Å; F220-F242 PolarHBondContact N-O 3.34Å; F220-F242 PolarHBondContact O-N 3.31Å; F242-Y348 HydrophobicContact CD2-CD2 4Å; F242-Y348 HydrophobicContact CD2-CE1 4.49Å; F242-Y348 AromaticContact CD2-CE2 3.54Å; F242-Y348 HydrophobicContact CD2-CE2 3.54Å; F242-Y348 AromaticContact CD2-CZ 3.81Å; F242-Y348 HydrophobicContact CE2-CE1 4.37Å; F242-Y348 HydrophobicContact CE2-CE2 4.19Å; F242-Y348 AromaticContact CE2-CZ 3.99Å; F242-M351 HydrophobicContact CD1-CB 3.9Å; F242-M351 HydrophobicContact CE1-CB 4.14Å; F242-M351 WeakPolarHBondContact CE1-O 3.45Å; F242-M351 HydrophobicContact CG-CB 4.48Å; F242-R352 HydrophobicContact CE2-CB 4.37Å; F242-R352 HydrophobicContact CZ-CB 3.94Å; F242-M355 HydrophobicContact CE1-CB 4.1Å; F242-M355 HydrophobicContact CE1-CE 4.11Å; F242-M355 HydrophobicContact CE1-SD 3.69Å; F242-M355 HydrophobicContact CZ-CE 3.87Å; F242-M355 HydrophobicContact CZ-SD 4.08Å
243	P	85.4	Confident	71.5	Confident	28 Å²	28	87.4 Å²	87.4	18%	0.182	44%	0.439	C	S	.	.	S	Bend	cis	-60.4	144.8	-9.2	-25.8	37.6	0	0	0	113.4	M245 M355	P243-M245 VanDerWaalsContact C-N 3.33Å; P243-M245 WeakPolarHBondContact CB-O 3.47Å; P243-M245 PolarHBondContact O-N 2.75Å; P243-M355 HydrophobicContact CG-CE 4.16Å; P243-M355 HydrophobicContact CG-SD 3.68Å
244	K	69.4	Low	71.1	Confident	161 Å²	161	93.2 Å²	93.2	70%	0.7	45%	0.454	S	S	*	.	S	Bend	trans	-64.5	-38.7	178.7	-72.9	-171.9	176.8	-173.2	0	112.7	Y348	K244-Y348 HydrophobicContact CG-CE2 4.32Å
245	M	55.7	Low	70.4	Confident	147 Å²	147	92.9 Å²	92.9	72%	0.724	46%	0.455	S	S	*	.	S	Bend	trans	-96.8	98.2	161	-64.3	-71.3	-149.7	0	0	105.6	P243 E247	P243-M245 VanDerWaalsContact C-N 3.33Å; P243-M245 WeakPolarHBondContact CB-O 3.47Å; P243-M245 PolarHBondContact O-N 2.75Å; M245-E247 PolarHBondContact O-N 3.07Å
246	F	51.6	Low	69.9	Low	79 Å²	79	91.9 Å²	91.9	35%	0.346	45%	0.449	S	S	.	.			trans	-64.9	114.3	146.2	-159.6	-85.5	0	0	0	104.3	Q218 I219 K248 L252	Q218-F246 HydrophobicContact CB-CE2 4.45Å; I219-F246 HydrophobicContact CD1-CD2 3.96Å; I219-F246 HydrophobicContact CD1-CE2 4.07Å; I219-F246 HydrophobicContact CG1-CD2 3.74Å; I219-F246 HydrophobicContact CG1-CE2 3.73Å; F246-K248 PolarHBondContact O-N 3.01Å; F246-L252 HydrophobicContact CD1-CD1 4.19Å; F246-L252 HydrophobicContact CD1-CD2 4Å; F246-L252 HydrophobicContact CD1-CG 4.34Å; F246-L252 HydrophobicContact CE1-CD2 3.7Å; F246-L252 HydrophobicContact CE1-CG 4.36Å
247	E	46.8	Very low	69.4	Low	141 Å²	141	95 Å²	95	66%	0.659	46%	0.46	S	S	*	.			trans	-58.4	135	-164.2	-69.7	-169.5	142.3	0	0	110.8	M245 S249	M245-E247 PolarHBondContact O-N 3.07Å; E247-S249 PolarHBondContact O-N 3.48Å; E247-S249 PolarHBondContact O-OG 3.49Å
248	K	44.2	Very low	69	Low	199 Å²	199	95.3 Å²	95.3	87%	0.865	46%	0.464	S	S	*	.			trans	-75.4	51.5	172.2	-63.8	-172.1	176.8	-171.5	0	110.3	F246 S250	F246-K248 PolarHBondContact O-N 3.01Å; K248-S250 PolarHBondContact O-N 3.43Å
249	S	41.8	Very low	68.6	Low	77 Å²	77	94 Å²	94	54%	0.538	46%	0.457	S	S	.	.			trans	-75.8	55.1	179.4	45.9	0	0	0	0	111.3	E247 R251	E247-S249 PolarHBondContact O-N 3.48Å; E247-S249 PolarHBondContact O-OG 3.49Å; S249-R251 PolarHBondContact O-N 3.5Å
250	S	45.4	Very low	68.5	Low	118 Å²	118	93.1 Å²	93.1	83%	0.825	45%	0.45	S	S	*	.	S	Bend	trans	52.6	-7.8	167.1	63.6	0	0	0	0	119.9	K248	K248-S250 PolarHBondContact O-N 3.43Å
251	R	48.3	Very low	68.4	Low	231 Å²	231	94.5 Å²	94.5	87%	0.872	46%	0.46	S	S	*	.			trans	-148.3	58.1	-179.1	-61.4	-171.9	-177.5	-175.4	1.2	113.4	S249	S249-R251 PolarHBondContact O-N 3.5Å
252	L	53.8	Low	68.5	Low	71 Å²	71	95 Å²	95	37%	0.372	46%	0.463	S	S	.	.			trans	-66	130.2	148.5	-87.6	167.5	0	0	0	107.2	F246 A256 E257	F246-L252 HydrophobicContact CD1-CD1 4.19Å; F246-L252 HydrophobicContact CD1-CD2 4Å; F246-L252 HydrophobicContact CD1-CG 4.34Å; F246-L252 HydrophobicContact CE1-CD2 3.7Å; F246-L252 HydrophobicContact CE1-CG 4.36Å; L252-A256 HydrophobicContact CD2-CB 3.87Å; L252-E257 HydrophobicContact CB-CG 4.45Å; L252-E257 HydrophobicContact CD1-CG 4.21Å
253	S	64.8	Low	68.9	Low	61 Å²	61	94.6 Å²	94.6	43%	0.427	46%	0.462	S	S	.	.			trans	-69.7	144.5	163.7	52.9	0	0	0	0	108.2	E255 A256	S253-E255 PolarHBondContact O-N 3.17Å; S253-A256 WeakPolarHBondContact O-CB 3Å; S253-A256 PolarHBondContact O-N 3.28Å
254	R	71.6	Confident	69.3	Low	189 Å²	189	93.9 Å²	93.9	71%	0.713	46%	0.457	S	S	*	.	H	α-helix	trans	-52.6	-41.2	175.2	-167.5	-173.2	66.3	-141.9	-4.6	110.9	A256 E257 D258	R254-A256 VanDerWaalsContact C-N 3.26Å; R254-A256 PolarHBondContact O-N 2.96Å; R254-E257 WeakPolarHBondContact O-CA 3.26Å; R254-E257 WeakPolarHBondContact O-CB 3.39Å; R254-E257 PolarHBondContact O-N 3.39Å; R254-D258 IonicContact NE-OD2 3.61Å; R254-D258 VanDerWaalsContact O-CG 3.25Å; R254-D258 PolarHBondContact O-N 2.95Å
255	E	73.4	Confident	70.5	Confident	60 Å²	60	90.4 Å²	90.4	28%	0.28	44%	0.442	S	S	.	.	H	α-helix	trans	-48.2	-38.5	171.3	-177.3	-178.2	-149.4	0	0	114.4	S253 Q259 G291 E292	S253-E255 PolarHBondContact O-N 3.17Å; E255-Q259 VanDerWaalsContact O-CB 3.31Å; E255-Q259 WeakPolarHBondContact O-CB 3.43Å; E255-Q259 WeakPolarHBondContact O-CG 3.4Å; E255-Q259 PolarHBondContact O-N 2.91Å; E255-G291 WeakPolarHBondContact OE1-CA 3.3Å; E255-E292 PolarHBondContact OE1-N 3.34Å
256	A	77.4	Confident	72.4	Confident	11 Å²	11	83.8 Å²	83.8	9%	0.091	41%	0.409	C	S	.	.	H	α-helix	trans	-75	-30.4	178.7	0	0	0	0	0	112.7	L252 S253 R254 L260 W297	L252-A256 HydrophobicContact CD2-CB 3.87Å; S253-A256 WeakPolarHBondContact O-CB 3Å; S253-A256 PolarHBondContact O-N 3.28Å; R254-A256 VanDerWaalsContact C-N 3.26Å; R254-A256 PolarHBondContact O-N 2.96Å; A256-L260 WeakPolarHBondContact O-CB 3.27Å; A256-L260 PolarHBondContact O-N 3.01Å; A256-W297 HydrophobicContact CB-CH2 3.92Å; A256-W297 HydrophobicContact CB-CZ2 3.81Å; A256-W297 WeakPolarHBondContact O-CH2 3.25Å
257	E	82.1	Confident	74.5	Confident	102 Å²	102	80 Å²	80	48%	0.477	39%	0.392	S	S	.	.	H	α-helix	trans	-74.5	-41.8	171.2	-60.1	-173.3	160.5	0	0	110.3	L252 R254 Q259 L260 N261	L252-E257 HydrophobicContact CB-CG 4.45Å; L252-E257 HydrophobicContact CD1-CG 4.21Å; R254-E257 WeakPolarHBondContact O-CA 3.26Å; R254-E257 WeakPolarHBondContact O-CB 3.39Å; R254-E257 PolarHBondContact O-N 3.39Å; E257-Q259 PolarHBondContact O-N 3.16Å; E257-L260 PolarHBondContact O-N 3.46Å; E257-N261 VanDerWaalsContact O-CG 3.27Å; E257-N261 PolarHBondContact O-N 2.9Å; E257-N261 PolarHBondContact O-ND2 3.32Å
258	D	84.1	Confident	76.7	Confident	77 Å²	77	73.9 Å²	73.9	41%	0.412	36%	0.363	S	S	.	.	H	α-helix	trans	-59	-45.3	174.1	-64.8	-34.9	0	0	0	111.3	R254 N261 M262	R254-D258 IonicContact NE-OD2 3.61Å; R254-D258 VanDerWaalsContact O-CG 3.25Å; R254-D258 PolarHBondContact O-N 2.95Å; D258-N261 PolarHBondContact O-N 2.83Å; D258-M262 WeakPolarHBondContact O-CG 3.5Å; D258-M262 PolarHBondContact O-N 3.32Å
259	Q	85.9	Confident	79	Confident	22 Å²	22	64.5 Å²	64.5	10%	0.103	32%	0.323	C	S	.	.	H	α-helix	trans	-62.6	-43.8	174.6	-77.6	173.3	1	0	0	112.3	E255 E257 N261 M262 I263 L289 W297	E255-Q259 VanDerWaalsContact O-CB 3.31Å; E255-Q259 WeakPolarHBondContact O-CB 3.43Å; E255-Q259 WeakPolarHBondContact O-CG 3.4Å; E255-Q259 PolarHBondContact O-N 2.91Å; E257-Q259 PolarHBondContact O-N 3.16Å; Q259-N261 VanDerWaalsContact C-N 3.31Å; Q259-N261 PolarHBondContact O-N 3.04Å; Q259-M262 PolarHBondContact O-N 3.3Å; Q259-M262 VanDerWaalsContact O-N 3.15Å; Q259-I263 PolarHBondContact O-N 2.88Å; Q259-L289 HydrophobicContact CB-CD1 3.93Å; Q259-L289 HydrophobicContact CG-CB 4.43Å; Q259-L289 HydrophobicContact CG-CD1 4.26Å; Q259-L289 WeakPolarHBondContact O-CD1 3.47Å; Q259-W297 HydrophobicContact CB-CE3 4.12Å; Q259-W297 HydrophobicContact CB-CH2 4.24Å; Q259-W297 HydrophobicContact CB-CZ3 3.92Å; Q259-W297 VanDerWaalsContact OE1-CD2 3.3Å
260	L	88.1	Confident	81.1	Confident	30 Å²	30	62.2 Å²	62.2	16%	0.157	31%	0.305	C	S	.	.	H	α-helix	trans	-61.6	-38.4	176.5	179.5	59.5	0	0	0	112.2	I219 V221 I238 A256 E257 M262 I263	I219-L260 HydrophobicContact CD1-CD1 4.19Å; I219-L260 HydrophobicContact CD1-CD2 4.44Å; V221-L260 HydrophobicContact CG1-CD1 4.33Å; I238-L260 HydrophobicContact CD1-CD1 3.82Å; I238-L260 HydrophobicContact CD1-CG 4.25Å; A256-L260 WeakPolarHBondContact O-CB 3.27Å; A256-L260 PolarHBondContact O-N 3.01Å; E257-L260 PolarHBondContact O-N 3.46Å; L260-M262 PolarHBondContact O-N 2.95Å; L260-I263 HydrophobicContact CD1-CD1 4.16Å; L260-I263 PolarHBondContact O-N 2.98Å
261	N	89.4	Confident	82.1	Confident	114 Å²	114	59.8 Å²	59.8	61%	0.61	29%	0.286	S	S	*	.	H	α-helix	trans	-66.6	-23	176.9	-72.6	-39.7	0	0	0	113.5	E257 D258 Q259	E257-N261 VanDerWaalsContact O-CG 3.27Å; E257-N261 PolarHBondContact O-N 2.9Å; E257-N261 PolarHBondContact O-ND2 3.32Å; D258-N261 PolarHBondContact O-N 2.83Å; Q259-N261 VanDerWaalsContact C-N 3.31Å; Q259-N261 PolarHBondContact O-N 3.04Å
262	M	92	Very high	83	Confident	69 Å²	69	54.4 Å²	54.4	34%	0.34	27%	0.271	S	S	.	.	H	α-helix	trans	-84.2	-29.5	179.4	-69.1	-70.1	-107.3	0	0	113.3	D258 Q259 L260 P264 K265 F266 M458	D258-M262 WeakPolarHBondContact O-CG 3.5Å; D258-M262 PolarHBondContact O-N 3.32Å; Q259-M262 PolarHBondContact O-N 3.3Å; Q259-M262 VanDerWaalsContact O-N 3.15Å; L260-M262 PolarHBondContact O-N 2.95Å; M262-P264 VanDerWaalsContact C-N 3.31Å; M262-P264 VanDerWaalsContact O-N 3.09Å; M262-K265 WeakPolarHBondContact O-CB 3.41Å; M262-K265 PolarHBondContact O-N 3.31Å; M262-K265 HydrophobicContact SD-CD 4.3Å; M262-F266 HydrophobicContact CB-CD2 4.26Å; M262-F266 HydrophobicContact CB-CE2 4.16Å; M262-F266 WeakPolarHBondContact O-CD2 3.37Å; M262-F266 PolarHBondContact O-N 3.09Å; M262-M458 HydrophobicContact CE-CE 3.4Å; M262-M458 VanDerWaalsContact CE-CE 3.4Å; M262-M458 HydrophobicContact CE-SD 3.73Å; M262-M458 HydrophobicContact SD-CE 3.6Å; M262-M458 VanDerWaalsContact SD-CE 3.6Å
263	I	94.6	Very high	83.7	Confident	0 Å²	0	56 Å²	56	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-46	-42.2	-176.4	-73.8	174.8	0	0	0	114.5	V221 V223 Q259 L260 K265 F266 C267 F287 L289 V320	V221-I263 HydrophobicContact CG2-CG2 3.87Å; V223-I263 HydrophobicContact CG2-CG2 4.37Å; Q259-I263 PolarHBondContact O-N 2.88Å; L260-I263 HydrophobicContact CD1-CD1 4.16Å; L260-I263 PolarHBondContact O-N 2.98Å; I263-K265 VanDerWaalsContact C-N 3.32Å; I263-K265 PolarHBondContact O-N 3.46Å; I263-F266 PolarHBondContact O-N 3.14Å; I263-F266 VanDerWaalsContact O-N 3.15Å; I263-C267 PolarHBondContact O-N 3.45Å; I263-C267 PolarHBondContact O-SG 3.14Å; I263-F287 HydrophobicContact CB-CZ 4.31Å; I263-F287 HydrophobicContact CG1-CE2 4.27Å; I263-F287 HydrophobicContact CG1-CZ 4.07Å; I263-F287 HydrophobicContact CG2-CZ 4.16Å; I263-L289 HydrophobicContact CG1-CD1 4.01Å; I263-V320 HydrophobicContact CD1-CG2 3.61Å
264	P	95.1	Very high	84.3	Confident	13 Å²	13	54.9 Å²	54.9	8%	0.084	27%	0.266	C	S	.	.	H	α-helix	trans	-59.3	-37.3	178.8	-28.2	38.2	0	0	0	114.8	V223 P236 I238 M262 C267 F268	V223-P264 HydrophobicContact CG1-CB 3.8Å; V223-P264 HydrophobicContact CG1-CG 4.43Å; P236-P264 HydrophobicContact CB-CB 4.09Å; P236-P264 WeakPolarHBondContact CB-O 3.29Å; P236-P264 HydrophobicContact CG-CB 4.3Å; P236-P264 WeakPolarHBondContact CG-O 3.35Å; P236-P264 VanDerWaalsContact O-CB 3.28Å; P236-P264 WeakPolarHBondContact O-CB 3.39Å; I238-P264 HydrophobicContact CD1-CG 4.33Å; I238-P264 HydrophobicContact CG1-CG 3.71Å; M262-P264 VanDerWaalsContact C-N 3.31Å; M262-P264 VanDerWaalsContact O-N 3.09Å; P264-C267 PolarHBondContact O-N 3.28Å; P264-F268 PolarHBondContact O-N 3.15Å
265	K	93.9	Very high	84.5	Confident	88 Å²	88	53.9 Å²	53.9	38%	0.383	27%	0.267	S	S	.	.	H	α-helix	trans	-68.6	-35.4	177.2	-62.1	177.1	176.9	-178.7	0	111.6	M262 I263 F268 P269 P455 M458	M262-K265 WeakPolarHBondContact O-CB 3.41Å; M262-K265 PolarHBondContact O-N 3.31Å; M262-K265 HydrophobicContact SD-CD 4.3Å; I263-K265 VanDerWaalsContact C-N 3.32Å; I263-K265 PolarHBondContact O-N 3.46Å; K265-F268 CarbonylContact O-C 3.58Å; K265-F268 PolarHBondContact O-N 3.47Å; K265-P269 WeakPolarHBondContact O-CA 3.49Å; K265-P455 HydrophobicContact CB-CG 4.27Å; K265-P455 WeakPolarHBondContact O-CG 3.34Å; K265-M458 HydrophobicContact CB-CE 3.72Å; K265-M458 HydrophobicContact CD-CE 3.28Å; K265-M458 HydrophobicContact CG-CE 4.16Å
266	F	95.8	Very high	84.8	Confident	8 Å²	8	53.3 Å²	53.3	4%	0.035	27%	0.268	C	S	.	.	H	α-helix	trans	-77.2	-25.5	176.2	-76.7	-87.9	0	0	0	113.8	M262 I263 F268 F287 L289 V451 V453 P455 M458	M262-F266 HydrophobicContact CB-CD2 4.26Å; M262-F266 HydrophobicContact CB-CE2 4.16Å; M262-F266 WeakPolarHBondContact O-CD2 3.37Å; M262-F266 PolarHBondContact O-N 3.09Å; I263-F266 PolarHBondContact O-N 3.14Å; I263-F266 VanDerWaalsContact O-N 3.15Å; F266-F268 VanDerWaalsContact C-N 3.34Å; F266-F287 HydrophobicContact CB-CD1 3.67Å; F266-F287 HydrophobicContact CB-CD2 3.54Å; F266-F287 HydrophobicContact CB-CE1 3.47Å; F266-F287 VanDerWaalsContact CB-CE1 3.47Å; F266-F287 HydrophobicContact CB-CE2 3.35Å; F266-F287 HydrophobicContact CB-CG 3.7Å; F266-F287 HydrophobicContact CB-CZ 3.32Å; F266-F287 HydrophobicContact CD1-CB 4.12Å; F266-F287 AromaticContact CD1-CD2 3.71Å; F266-F287 HydrophobicContact CD1-CD2 3.71Å; F266-F287 HydrophobicContact CD1-CE2 4.26Å; F266-F287 AromaticContact CD1-CG 3.95Å; F266-F287 HydrophobicContact CD1-CG 3.95Å; F266-F287 HydrophobicContact CD2-CD2 4.5Å; F266-F287 HydrophobicContact CD2-CE2 4.29Å; F266-F287 AromaticContact CG-CD2 3.68Å; F266-F287 HydrophobicContact CG-CD2 3.68Å; F266-F287 AromaticContact CG-CE2 3.74Å; F266-F287 HydrophobicContact CG-CE2 3.74Å; F266-F287 HydrophobicContact CG-CG 4.12Å; F266-F287 HydrophobicContact CG-CZ 4.22Å; F266-L289 HydrophobicContact CD2-CD2 3.87Å; F266-L289 HydrophobicContact CE1-CD2 4.35Å; F266-L289 HydrophobicContact CE2-CD2 3.63Å; F266-L289 HydrophobicContact CG-CD2 4.34Å; F266-L289 HydrophobicContact CZ-CD2 3.9Å; F266-V451 HydrophobicContact CE1-CG1 3.58Å; F266-V451 HydrophobicContact CZ-CG1 4.27Å; F266-V453 VanDerWaalsContact CD1-O 3.25Å; F266-V453 WeakPolarHBondContact CD1-O 3.23Å; F266-V453 VanDerWaalsContact CE1-O 3.32Å; F266-V453 WeakPolarHBondContact CE1-O 3.26Å; F266-P455 HydrophobicContact CD1-CG 3.83Å; F266-P455 HydrophobicContact CD2-CG 4.17Å; F266-P455 HydrophobicContact CE1-CG 4Å; F266-P455 HydrophobicContact CE2-CG 4.33Å; F266-P455 HydrophobicContact CG-CG 3.91Å; F266-P455 HydrophobicContact CZ-CG 4.24Å; F266-M458 HydrophobicContact CD2-CE 4.16Å; F266-M458 HydrophobicContact CE2-CE 3.62Å; F266-M458 HydrophobicContact CE2-SD 3.56Å; F266-M458 VanDerWaalsContact CE2-SD 3.56Å; F266-M458 HydrophobicContact CZ-CE 4.29Å; F266-M458 HydrophobicContact CZ-SD 3.62Å
267	C	95.8	Very high	85	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-71.1	-30.2	170.8	-68	0	0	0	0	112.4	V223 I263 P264 P269 V316	V223-C267 HydrophobicContact CB-CB 4.03Å; V223-C267 HydrophobicContact CG1-CB 4.18Å; V223-C267 HydrophobicContact CG2-CB 4.05Å; I263-C267 PolarHBondContact O-N 3.45Å; I263-C267 PolarHBondContact O-SG 3.14Å; P264-C267 PolarHBondContact O-N 3.28Å; C267-P269 VanDerWaalsContact C-CD 3.49Å; C267-V316 HydrophobicContact CB-CB 3.95Å; C267-V316 HydrophobicContact CB-CG1 3.86Å; C267-V316 HydrophobicContact CB-CG2 4.18Å
268	F	93.9	Very high	84.8	Confident	11 Å²	11	53.3 Å²	53.3	5%	0.048	28%	0.284	C	S	.	.	S	Bend	trans	-128	69.4	178.6	-66.8	-85.3	0	0	0	110.4	V223 L225 P236 P264 K265 F266 D270 W274 P314 V316	V223-F268 HydrophobicContact CB-CD2 4.47Å; V223-F268 HydrophobicContact CB-CE2 3.96Å; V223-F268 HydrophobicContact CG1-CD2 3.79Å; V223-F268 HydrophobicContact CG1-CE2 3.62Å; L225-F268 HydrophobicContact CD1-CD1 3.93Å; L225-F268 HydrophobicContact CD1-CE1 3.68Å; L225-F268 HydrophobicContact CD1-CZ 4.31Å; L225-F268 HydrophobicContact CD2-CB 4.48Å; L225-F268 HydrophobicContact CD2-CD1 3.98Å; L225-F268 HydrophobicContact CD2-CD2 4.42Å; L225-F268 HydrophobicContact CD2-CE1 4.29Å; L225-F268 HydrophobicContact CD2-CG 4.04Å; L225-F268 HydrophobicContact CG-CD1 3.99Å; L225-F268 HydrophobicContact CG-CE1 3.79Å; L225-F268 HydrophobicContact CG-CE2 4.43Å; L225-F268 HydrophobicContact CG-CG 4.4Å; L225-F268 HydrophobicContact CG-CZ 4.01Å; P236-F268 HydrophobicContact CB-CB 3.96Å; P236-F268 HydrophobicContact CB-CD2 3.5Å; P236-F268 HydrophobicContact CB-CE2 4.34Å; P236-F268 HydrophobicContact CB-CG 4Å; P236-F268 HydrophobicContact CG-CB 4.25Å; P264-F268 PolarHBondContact O-N 3.15Å; K265-F268 CarbonylContact O-C 3.58Å; K265-F268 PolarHBondContact O-N 3.47Å; F266-F268 VanDerWaalsContact C-N 3.34Å; F268-D270 VanDerWaalsContact C-N 3.3Å; F268-D270 PolarHBondContact O-N 3.5Å; F268-W274 HydrophobicContact CB-CZ2 3.97Å; F268-W274 AromaticContact CD1-CH2 3.81Å; F268-W274 HydrophobicContact CD1-CH2 3.81Å; F268-W274 AromaticContact CD1-CZ2 3.64Å; F268-W274 HydrophobicContact CD1-CZ2 3.64Å; F268-W274 HydrophobicContact CD1-CZ3 4.35Å; F268-W274 HydrophobicContact CG-CZ2 4.3Å; F268-P314 HydrophobicContact CE1-CB 4.45Å; F268-P314 HydrophobicContact CE1-CG 4.1Å; F268-V316 HydrophobicContact CD2-CG2 4.37Å; F268-V316 HydrophobicContact CE1-CG2 4.02Å; F268-V316 HydrophobicContact CE2-CB 4.13Å; F268-V316 HydrophobicContact CE2-CG2 3.73Å; F268-V316 HydrophobicContact CZ-CB 4.27Å; F268-V316 HydrophobicContact CZ-CG2 3.55Å
269	P	91.9	Very high	84.5	Confident	3 Å²	3	56.6 Å²	56.6	2%	0.019	30%	0.296	C	S	.	.			trans	-77.4	-15.4	-173.2	34.4	-38.8	0	0	0	113.5	K265 C267 L427 V453 P455 A456 L473	K265-P269 WeakPolarHBondContact O-CA 3.49Å; C267-P269 VanDerWaalsContact C-CD 3.49Å; P269-L427 HydrophobicContact CG-CD1 3.88Å; P269-L427 HydrophobicContact CG-CD2 3.56Å; P269-L427 HydrophobicContact CG-CG 4.39Å; P269-V453 HydrophobicContact CB-CG1 3.86Å; P269-V453 HydrophobicContact CG-CG1 3.69Å; P269-P455 HydrophobicContact CB-CB 4.21Å; P269-P455 HydrophobicContact CB-CG 4.26Å; P269-A456 PolarHBondContact O-N 3.06Å; P269-L473 HydrophobicContact CG-CD1 4.28Å
270	D	86.3	Confident	84.2	Confident	29 Å²	29	57.7 Å²	57.7	16%	0.155	31%	0.305	C	S	.	.			trans	-61.4	136.2	-175.4	-42.4	-125.3	0	0	0	112	F268 Q272 W274 K303 L473	F268-D270 VanDerWaalsContact C-N 3.3Å; F268-D270 PolarHBondContact O-N 3.5Å; D270-Q272 PolarHBondContact O-N 3.29Å; D270-W274 HydrophobicContact CB-CH2 3.92Å; D270-W274 HydrophobicContact CB-CZ2 3.66Å; D270-W274 VanDerWaalsContact OD2-CH2 3.27Å; D270-W274 WeakPolarHBondContact OD2-CH2 3.46Å; D270-W274 WeakPolarHBondContact OD2-CZ2 3.33Å; D270-K303 IonicContact OD1-NZ 3.71Å; D270-K303 PolarHBondContact OD1-NZ 2.89Å; D270-K303 IonicContact OD2-NZ 3.05Å; D270-K303 PolarHBondContact OD2-NZ 3.4Å; D270-L473 HydrophobicContact CB-CD1 4.06Å
271	P	66.3	Low	84.2	Confident	66 Å²	66	60.8 Å²	60.8	43%	0.429	33%	0.326	S	S	.	.			trans	-73.1	9.5	178.5	30.2	-36.2	0	0	0	114.4	A456 P475	P271-A456 HydrophobicContact CB-CB 3.66Å; P271-A456 HydrophobicContact CG-CB 4.39Å; P271-P475 HydrophobicContact CG-CB 4.16Å
272	Q	67.7	Low	84.4	Confident	118 Å²	118	57.8 Å²	57.8	55%	0.551	31%	0.314	S	S	*	.	S	Bend	trans	-90.1	141.7	-164.2	-61.7	-170.4	23.3	0	0	113.8	D270 W274	D270-Q272 PolarHBondContact O-N 3.29Å; Q272-W274 VanDerWaalsContact O-CD1 3.28Å; Q272-W274 PolarHBondContact O-N 2.99Å
273	D	67.9	Low	84.5	Confident	105 Å²	105	56.2 Å²	56.2	56%	0.561	31%	0.306	S	S	*	.			trans	-60.4	98.1	158.2	-93.5	-37.6	0	0	0	110.1	K275	D273-K275 PolarHBondContact O-N 3.45Å; D273-K275 VanDerWaalsContact O-N 3.11Å
274	W	76.6	Confident	84.5	Confident	38 Å²	38	56.9 Å²	56.9	14%	0.144	31%	0.31	C	S	.	.			trans	-57	111.9	-177.3	-67.3	97.3	0	0	0	112.6	L225 Y234 F268 D270 Q272 L313 P314	L225-W274 HydrophobicContact CD1-CB 3.89Å; L225-W274 HydrophobicContact CD1-CD2 3.5Å; L225-W274 VanDerWaalsContact CD1-CD2 3.5Å; L225-W274 HydrophobicContact CD1-CE3 3.73Å; L225-W274 HydrophobicContact CD1-CG 3.55Å; L225-W274 HydrophobicContact CD2-CD2 4.27Å; L225-W274 HydrophobicContact CD2-CG 3.96Å; L225-W274 HydrophobicContact CG-CG 4.39Å; Y234-W274 HydrophobicContact CD2-CB 4.04Å; Y234-W274 WeakPolarHBondContact CD2-O 3.38Å; Y234-W274 WeakPolarHBondContact CE2-O 3.17Å; Y234-W274 HydrophobicContact CG-CB 4.39Å; F268-W274 HydrophobicContact CB-CZ2 3.97Å; F268-W274 AromaticContact CD1-CH2 3.81Å; F268-W274 HydrophobicContact CD1-CH2 3.81Å; F268-W274 AromaticContact CD1-CZ2 3.64Å; F268-W274 HydrophobicContact CD1-CZ2 3.64Å; F268-W274 HydrophobicContact CD1-CZ3 4.35Å; F268-W274 HydrophobicContact CG-CZ2 4.3Å; D270-W274 HydrophobicContact CB-CH2 3.92Å; D270-W274 HydrophobicContact CB-CZ2 3.66Å; D270-W274 VanDerWaalsContact OD2-CH2 3.27Å; D270-W274 WeakPolarHBondContact OD2-CH2 3.46Å; D270-W274 WeakPolarHBondContact OD2-CZ2 3.33Å; Q272-W274 VanDerWaalsContact O-CD1 3.28Å; Q272-W274 PolarHBondContact O-N 2.99Å; W274-L313 HydrophobicContact CB-CD2 4.19Å; W274-P314 HydrophobicContact CE3-CG 4.25Å; W274-P314 HydrophobicContact CZ3-CG 4.08Å
275	K	75.8	Confident	84.6	Confident	167 Å²	167	56.3 Å²	56.3	73%	0.726	31%	0.306	S	S	*	.			trans	-104.4	128	178.7	-74.8	154.3	-168.8	165.8	0	109.9	D273 S277	D273-K275 PolarHBondContact O-N 3.45Å; D273-K275 VanDerWaalsContact O-N 3.11Å; K275-S277 PolarHBondContact O-N 3.5Å
276	P	81.2	Confident	84.7	Confident	48 Å²	48	52.1 Å²	52.1	31%	0.312	29%	0.288	S	S	.	.			trans	-55.4	124.5	177.1	-28.2	35.2	0	0	0	112.4	K311 R312 L313	P276-K311 HydrophobicContact CB-CB 3.81Å; P276-K311 WeakPolarHBondContact O-CD 3.31Å; P276-R312 CarbonylContact C-O 3.59Å; P276-R312 VanDerWaalsContact CA-O 3.29Å; P276-R312 WeakPolarHBondContact CA-O 3.37Å; P276-L313 HydrophobicContact CB-CD2 4.45Å; P276-L313 HydrophobicContact CG-CD2 3.91Å; P276-L313 HydrophobicContact CG-CG 4.13Å
277	S	81.4	Confident	84.7	Confident	41 Å²	41	51.7 Å²	51.7	29%	0.287	29%	0.287	S	S	.	.	B	Isolated β-bridge	trans	-105	156.8	-179.5	-170	0	0	0	0	112	K275 H279 K311 R312	K275-S277 PolarHBondContact O-N 3.5Å; S277-H279 PolarHBondContact OG-N 3.1Å; S277-H279 PolarHBondContact OG-O 3.2Å; S277-K311 CarbonylContact O-C 3.53Å; S277-K311 VanDerWaalsContact O-CA 3.29Å; S277-K311 WeakPolarHBondContact O-CA 3.36Å; S277-R312 PolarHBondContact N-O 3.15Å; S277-R312 PolarHBondContact O-N 3.28Å
278	A	77.3	Confident	84.6	Confident	73 Å²	73	51.7 Å²	51.7	60%	0.603	29%	0.287	S	S	*	.	S	Bend	trans	-86.7	-23.1	168.4	0	0	0	0	0	112.5
279	H	77.2	Confident	84.4	Confident	145 Å²	145	51.9 Å²	51.9	67%	0.671	29%	0.288	S	S	*	.			trans	-147.8	134.8	178.4	179.9	69.3	0	0	0	110.4	S277	S277-H279 PolarHBondContact OG-N 3.1Å; S277-H279 PolarHBondContact OG-O 3.2Å
280	T	80.2	Confident	84.1	Confident	46 Å²	46	53.8 Å²	53.8	28%	0.282	30%	0.299	S	S	.	.			trans	-148.2	125.6	171.1	-58.3	0	0	0	0	105
281	P	87.9	Confident	83.7	Confident	94 Å²	94	52.9 Å²	52.9	61%	0.61	30%	0.297	S	S	*	.			trans	-67.9	147.5	176.7	29.9	-35	0	0	0	110
282	S	92.9	Very high	84	Confident	51 Å²	51	57.8 Å²	57.8	36%	0.357	31%	0.314	S	S	.	.			trans	-74.5	130.1	178.1	-57.4	0	0	0	0	110.9	K303 E337	S282-K303 CarbonylContact C-O 3.16Å; S282-K303 VanDerWaalsContact CA-O 3.25Å; S282-K303 WeakPolarHBondContact CA-O 3.32Å; S282-E337 WeakPolarHBondContact CB-OE1 3.44Å; S282-E337 PolarHBondContact OG-OE1 2.9Å
283	E	94.6	Very high	84	Confident	36 Å²	36	57.1 Å²	57.1	17%	0.168	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	128.8	-175.8	-178	175.7	-149.1	0	0	110.9	R302 K303 L427 S428	E283-R302 CarbonylContact O-C 3.29Å; E283-R302 WeakPolarHBondContact O-CA 3.35Å; E283-K303 HydrophobicContact CB-CB 4.43Å; E283-K303 PolarHBondContact N-O 3.34Å; E283-K303 PolarHBondContact O-N 3.49Å; E283-L427 PolarHBondContact OE1-N 3.35Å; E283-S428 WeakPolarHBondContact OE1-CB 3.29Å; E283-S428 PolarHBondContact OE1-N 3.3Å; E283-S428 PolarHBondContact OE1-OG 3.2Å
284	T	95.6	Very high	84.2	Confident	15 Å²	15	52.9 Å²	52.9	9%	0.092	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	127.4	170.8	-72.1	0	0	0	0	110.5	C301 R302 F326 A330 S428	T284-C301 VanDerWaalsContact CA-O 3.29Å; T284-C301 WeakPolarHBondContact CA-O 3.36Å; T284-R302 WeakPolarHBondContact OG1-CD 3.24Å; T284-R302 WeakPolarHBondContact OG1-CG 3.23Å; T284-R302 PolarHBondContact OG1-NH1 3.3Å; T284-F326 HydrophobicContact CG2-CE1 4.49Å; T284-F326 HydrophobicContact CG2-CE2 4.4Å; T284-F326 HydrophobicContact CG2-CZ 3.87Å; T284-A330 HydrophobicContact CG2-CB 4.2Å; T284-S428 WeakPolarHBondContact O-CB 3.48Å
285	F	95.9	Very high	84.2	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	169.7	179.2	69.1	-83.9	0	0	0	110.1	F287 C301 K303 L427 S431 V453	F285-F287 HydrophobicContact CE2-CD1 4.2Å; F285-C301 HydrophobicContact CD1-CB 3.83Å; F285-C301 HydrophobicContact CD2-CB 4.11Å; F285-C301 HydrophobicContact CE1-CB 3.5Å; F285-C301 VanDerWaalsContact CE1-CB 3.5Å; F285-C301 HydrophobicContact CE2-CB 3.81Å; F285-C301 HydrophobicContact CG-CB 4.12Å; F285-C301 HydrophobicContact CZ-CB 3.49Å; F285-C301 VanDerWaalsContact CZ-CB 3.49Å; F285-C301 PolarHBondContact N-O 2.97Å; F285-C301 WeakPolarHBondContact O-CA 3.32Å; F285-C301 PolarHBondContact O-N 2.85Å; F285-C301 VanDerWaalsContact O-O 3.11Å; F285-K303 HydrophobicContact CE1-CB 4.17Å; F285-K303 HydrophobicContact CE1-CD 4.43Å; F285-L427 HydrophobicContact CB-CB 3.71Å; F285-L427 WeakPolarHBondContact CB-O 3.43Å; F285-L427 HydrophobicContact CD1-CB 3.92Å; F285-L427 HydrophobicContact CD1-CD1 3.99Å; F285-L427 HydrophobicContact CD2-CB 3.97Å; F285-L427 HydrophobicContact CD2-CD1 4.35Å; F285-L427 HydrophobicContact CE1-CD1 3.74Å; F285-L427 HydrophobicContact CE2-CD1 4.11Å; F285-L427 HydrophobicContact CG-CB 3.61Å; F285-L427 HydrophobicContact CG-CD1 4.29Å; F285-L427 HydrophobicContact CZ-CD1 3.8Å; F285-S431 WeakPolarHBondContact CA-OG 3.29Å; F285-S431 WeakPolarHBondContact CB-OG 3.36Å; F285-V453 HydrophobicContact CD2-CG2 4.2Å
286	S	95.8	Very high	84.6	Confident	0 Å²	0	45 Å²	45	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	147.8	170.9	48.4	0	0	0	0	112	C299 F326 S431 H435	S286-C299 VanDerWaalsContact CA-O 3.31Å; S286-C299 WeakPolarHBondContact CA-O 3.22Å; S286-F326 WeakPolarHBondContact OG-CD2 3.33Å; S286-F326 WeakPolarHBondContact OG-CE2 3.33Å; S286-S431 VanDerWaalsContact N-CB 3.33Å; S286-S431 PolarHBondContact N-OG 2.87Å; S286-S431 WeakPolarHBondContact O-CB 3.41Å; S286-H435 PolarHBondContact OG-CD2 3.49Å; S286-H435 PolarHBondContact OG-NE2 3.21Å
287	F	95.9	Very high	85	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	164.9	165.1	66.4	-93	0	0	0	109.9	I263 F266 F285 L289 C299 C301 V453	I263-F287 HydrophobicContact CB-CZ 4.31Å; I263-F287 HydrophobicContact CG1-CE2 4.27Å; I263-F287 HydrophobicContact CG1-CZ 4.07Å; I263-F287 HydrophobicContact CG2-CZ 4.16Å; F266-F287 HydrophobicContact CB-CD1 3.67Å; F266-F287 HydrophobicContact CB-CD2 3.54Å; F266-F287 HydrophobicContact CB-CE1 3.47Å; F266-F287 VanDerWaalsContact CB-CE1 3.47Å; F266-F287 HydrophobicContact CB-CE2 3.35Å; F266-F287 HydrophobicContact CB-CG 3.7Å; F266-F287 HydrophobicContact CB-CZ 3.32Å; F266-F287 HydrophobicContact CD1-CB 4.12Å; F266-F287 AromaticContact CD1-CD2 3.71Å; F266-F287 HydrophobicContact CD1-CD2 3.71Å; F266-F287 HydrophobicContact CD1-CE2 4.26Å; F266-F287 AromaticContact CD1-CG 3.95Å; F266-F287 HydrophobicContact CD1-CG 3.95Å; F266-F287 HydrophobicContact CD2-CD2 4.5Å; F266-F287 HydrophobicContact CD2-CE2 4.29Å; F266-F287 AromaticContact CG-CD2 3.68Å; F266-F287 HydrophobicContact CG-CD2 3.68Å; F266-F287 AromaticContact CG-CE2 3.74Å; F266-F287 HydrophobicContact CG-CE2 3.74Å; F266-F287 HydrophobicContact CG-CG 4.12Å; F266-F287 HydrophobicContact CG-CZ 4.22Å; F285-F287 HydrophobicContact CE2-CD1 4.2Å; F287-L289 HydrophobicContact CD2-CD2 4.03Å; F287-L289 HydrophobicContact CD2-CG 4.2Å; F287-L289 HydrophobicContact CE2-CD1 4.28Å; F287-L289 HydrophobicContact CE2-CD2 3.95Å; F287-L289 HydrophobicContact CE2-CG 3.94Å; F287-C299 HydrophobicContact CD1-CB 3.83Å; F287-C299 HydrophobicContact CD2-CB 3.65Å; F287-C299 HydrophobicContact CE1-CB 3.53Å; F287-C299 HydrophobicContact CE2-CB 3.31Å; F287-C299 WeakPolarHBondContact CE2-SG 3.4Å; F287-C299 HydrophobicContact CG-CB 3.89Å; F287-C299 HydrophobicContact CZ-CB 3.25Å; F287-C299 PolarHBondContact N-O 2.97Å; F287-C299 PolarHBondContact O-N 3.03Å; F287-C301 WeakPolarHBondContact CE1-SG 3.28Å; F287-V453 HydrophobicContact CB-CB 4.19Å
288	V	94.1	Very high	85.5	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	128.5	-179.9	179.6	0	0	0	0	108.7	R296 W297 F298 F450 P452	V288-R296 HydrophobicContact CG1-CB 3.86Å; V288-R296 HydrophobicContact CG1-CG 3.8Å; V288-W297 WeakPolarHBondContact CA-O 3.42Å; V288-F298 HydrophobicContact CG2-CD1 3.61Å; V288-F298 HydrophobicContact CG2-CE1 4Å; V288-F450 HydrophobicContact CB-CD1 4.03Å; V288-F450 HydrophobicContact CB-CE1 4.37Å; V288-F450 HydrophobicContact CG1-CD1 4.29Å; V288-F450 HydrophobicContact CG2-CD1 3.84Å; V288-F450 HydrophobicContact CG2-CE1 3.72Å; V288-P452 HydrophobicContact CG2-CG 4.29Å
289	L	90.9	Very high	86.4	Confident	15 Å²	15	39.9 Å²	39.9	8%	0.079	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	127.4	165.9	-53.5	178.8	0	0	0	107.4	Q259 I263 F266 F287 R296 W297	Q259-L289 HydrophobicContact CB-CD1 3.93Å; Q259-L289 HydrophobicContact CG-CB 4.43Å; Q259-L289 HydrophobicContact CG-CD1 4.26Å; Q259-L289 WeakPolarHBondContact O-CD1 3.47Å; I263-L289 HydrophobicContact CG1-CD1 4.01Å; F266-L289 HydrophobicContact CD2-CD2 3.87Å; F266-L289 HydrophobicContact CE1-CD2 4.35Å; F266-L289 HydrophobicContact CE2-CD2 3.63Å; F266-L289 HydrophobicContact CG-CD2 4.34Å; F266-L289 HydrophobicContact CZ-CD2 3.9Å; F287-L289 HydrophobicContact CD2-CD2 4.03Å; F287-L289 HydrophobicContact CD2-CG 4.2Å; F287-L289 HydrophobicContact CE2-CD1 4.28Å; F287-L289 HydrophobicContact CE2-CD2 3.95Å; F287-L289 HydrophobicContact CE2-CG 3.94Å; L289-R296 WeakPolarHBondContact O-CA 3.15Å; L289-W297 HydrophobicContact CB-CB 4.35Å; L289-W297 PolarHBondContact N-O 2.74Å; L289-W297 PolarHBondContact O-N 3.49Å
290	T	85.6	Confident	87.3	Confident	42 Å²	42	33.1 Å²	33.1	26%	0.258	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	124.3	178.3	-55.7	0	0	0	0	108.4	S295 R296	T290-S295 WeakPolarHBondContact CA-O 3.33Å; T290-R296 HydrophobicContact CG2-CG 4.42Å
291	G	77.6	Confident	88.1	Confident	10 Å²	10	30.9 Å²	30.9	10%	0.103	17%	0.172	C	C	.	.			trans	-79	173.5	177.9	0	0	0	0	0	113.8	E255 D293 G294 S295	E255-G291 WeakPolarHBondContact OE1-CA 3.3Å; G291-D293 PolarHBondContact O-N 2.82Å; G291-G294 WeakPolarHBondContact O-CA 3.35Å; G291-G294 PolarHBondContact O-N 3.29Å; G291-S295 PolarHBondContact N-O 2.96Å
292	E	72.1	Confident	88.5	Confident	169 Å²	169	28 Å²	28	79%	0.79	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-26.6	179.6	-68.2	-175	-168.2	0	0	112.6	E255 G294	E255-E292 PolarHBondContact OE1-N 3.34Å; E292-G294 VanDerWaalsContact C-N 3.25Å
293	D	68	Low	88.6	Confident	105 Å²	105	26.3 Å²	26.3	56%	0.561	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-2.3	172.6	75.5	-22.7	0	0	0	113.6	L202 G291 S295	L202-D293 WeakPolarHBondContact CD2-O 3.27Å; G291-D293 PolarHBondContact O-N 2.82Å; D293-S295 VanDerWaalsContact C-N 3.3Å; D293-S295 WeakPolarHBondContact OD1-CA 3.43Å; D293-S295 WeakPolarHBondContact OD1-CB 3.19Å; D293-S295 PolarHBondContact OD1-N 3.24Å; D293-S295 PolarHBondContact OD1-OG 2.72Å; D293-S295 WeakPolarHBondContact OD2-CB 3.38Å; D293-S295 PolarHBondContact OD2-OG 3.17Å
294	G	72.4	Confident	88.6	Confident	15 Å²	15	24.9 Å²	24.9	16%	0.155	13%	0.128	C	C	.	.	S	Bend	trans	82.1	-2.9	-173.8	0	0	0	0	0	114.4	L202 G291 E292	L202-G294 VanDerWaalsContact CD1-O 3.24Å; L202-G294 WeakPolarHBondContact CD1-O 3.2Å; L202-G294 VanDerWaalsContact CD2-C 3.43Å; G291-G294 WeakPolarHBondContact O-CA 3.35Å; G291-G294 PolarHBondContact O-N 3.29Å; E292-G294 VanDerWaalsContact C-N 3.25Å
295	S	76.3	Confident	88.3	Confident	15 Å²	15	25.5 Å²	25.5	11%	0.105	13%	0.131	C	C	.	.			trans	-67.7	143.3	-178.8	75.4	0	0	0	0	111.5	T290 G291 D293	T290-S295 WeakPolarHBondContact CA-O 3.33Å; G291-S295 PolarHBondContact N-O 2.96Å; D293-S295 VanDerWaalsContact C-N 3.3Å; D293-S295 WeakPolarHBondContact OD1-CA 3.43Å; D293-S295 WeakPolarHBondContact OD1-CB 3.19Å; D293-S295 PolarHBondContact OD1-N 3.24Å; D293-S295 PolarHBondContact OD1-OG 2.72Å; D293-S295 WeakPolarHBondContact OD2-CB 3.38Å; D293-S295 PolarHBondContact OD2-OG 3.17Å
296	R	84.5	Confident	87.8	Confident	26 Å²	26	26.6 Å²	26.6	10%	0.098	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	133	-171.4	-71.5	177.6	176.1	140.8	8.7	111.7	V288 L289 T290 F298 W446 H448	V288-R296 HydrophobicContact CG1-CB 3.86Å; V288-R296 HydrophobicContact CG1-CG 3.8Å; L289-R296 WeakPolarHBondContact O-CA 3.15Å; T290-R296 HydrophobicContact CG2-CG 4.42Å; R296-F298 HydrophobicContact CB-CE2 4.06Å; R296-F298 HydrophobicContact CB-CZ 4.11Å; R296-W446 PolarHBondContact NH1-O 2.83Å; R296-W446 PolarHBondContact NH2-O 3.11Å; R296-H448 PolarHBondContact NH2-O 3.46Å
297	W	89.3	Confident	87.2	Confident	30 Å²	30	29.9 Å²	29.9	11%	0.114	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	113.4	162.9	-72.3	24.3	0	0	0	107.6	A256 Q259 V288 L289 V320	A256-W297 HydrophobicContact CB-CH2 3.92Å; A256-W297 HydrophobicContact CB-CZ2 3.81Å; A256-W297 WeakPolarHBondContact O-CH2 3.25Å; Q259-W297 HydrophobicContact CB-CE3 4.12Å; Q259-W297 HydrophobicContact CB-CH2 4.24Å; Q259-W297 HydrophobicContact CB-CZ3 3.92Å; Q259-W297 VanDerWaalsContact OE1-CD2 3.3Å; V288-W297 WeakPolarHBondContact CA-O 3.42Å; L289-W297 HydrophobicContact CB-CB 4.35Å; L289-W297 PolarHBondContact N-O 2.74Å; L289-W297 PolarHBondContact O-N 3.49Å; W297-V320 HydrophobicContact CB-CG1 4.15Å; W297-V320 HydrophobicContact CD2-CG1 3.92Å; W297-V320 HydrophobicContact CE3-CG1 3.45Å; W297-V320 VanDerWaalsContact CE3-CG1 3.45Å; W297-V320 HydrophobicContact CG-CG1 4.25Å; W297-V320 HydrophobicContact CZ3-CG1 4.16Å
298	F	91.8	Very high	86.3	Confident	24 Å²	24	32.5 Å²	32.5	11%	0.105	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	121	172.8	-57.2	-88	0	0	0	108.7	V288 R296 Y300 V320 S321 H392 H435	V288-F298 HydrophobicContact CG2-CD1 3.61Å; V288-F298 HydrophobicContact CG2-CE1 4Å; R296-F298 HydrophobicContact CB-CE2 4.06Å; R296-F298 HydrophobicContact CB-CZ 4.11Å; F298-Y300 HydrophobicContact CB-CD2 4.4Å; F298-Y300 HydrophobicContact CB-CE1 4.35Å; F298-Y300 HydrophobicContact CB-CE2 3.46Å; F298-Y300 VanDerWaalsContact CB-CE2 3.46Å; F298-Y300 VanDerWaalsContact CB-CZ 3.44Å; F298-Y300 VanDerWaalsContact CB-OH 3.26Å; F298-Y300 WeakPolarHBondContact CB-OH 3.48Å; F298-V320 WeakPolarHBondContact O-CA 3.47Å; F298-S321 WeakPolarHBondContact CA-O 3.43Å; F298-S321 WeakPolarHBondContact CB-O 3.34Å; F298-S321 PolarHBondContact N-O 2.88Å; F298-S321 PolarHBondContact O-N 3.05Å; F298-H392 AromaticContact CD1-NE2 3.39Å; F298-H392 WeakPolarHBondContact CD1-NE2 3.45Å; F298-H392 AromaticContact CG-NE2 3.96Å; F298-H435 AromaticContact CD1-CE1 3.92Å
299	C	95.6	Very high	85.2	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	96.7	-176	-64.4	0	0	0	0	109.3	S286 F287 I319	S286-C299 VanDerWaalsContact CA-O 3.31Å; S286-C299 WeakPolarHBondContact CA-O 3.22Å; F287-C299 HydrophobicContact CD1-CB 3.83Å; F287-C299 HydrophobicContact CD2-CB 3.65Å; F287-C299 HydrophobicContact CE1-CB 3.53Å; F287-C299 HydrophobicContact CE2-CB 3.31Å; F287-C299 WeakPolarHBondContact CE2-SG 3.4Å; F287-C299 HydrophobicContact CG-CB 3.89Å; F287-C299 HydrophobicContact CZ-CB 3.25Å; F287-C299 PolarHBondContact N-O 2.97Å; F287-C299 PolarHBondContact O-N 3.03Å; C299-I319 CarbonylContact C-O 3.44Å; C299-I319 WeakPolarHBondContact CA-O 3.1Å
300	Y	96.4	Very high	84.7	Confident	2 Å²	2	44.3 Å²	44.3	1%	0.008	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	117.5	-177.6	-53.5	-85.2	0	0	0	109.3	F298 C318 I319 L323 G324 C325 F326 F329 L333 H392	F298-Y300 HydrophobicContact CB-CD2 4.4Å; F298-Y300 HydrophobicContact CB-CE1 4.35Å; F298-Y300 HydrophobicContact CB-CE2 3.46Å; F298-Y300 VanDerWaalsContact CB-CE2 3.46Å; F298-Y300 VanDerWaalsContact CB-CZ 3.44Å; F298-Y300 VanDerWaalsContact CB-OH 3.26Å; F298-Y300 WeakPolarHBondContact CB-OH 3.48Å; Y300-C318 CarbonylContact O-C 3.59Å; Y300-C318 VanDerWaalsContact O-CA 3.24Å; Y300-C318 WeakPolarHBondContact O-CA 3.36Å; Y300-I319 WeakPolarHBondContact CD2-O 3.17Å; Y300-I319 PolarHBondContact N-O 2.95Å; Y300-I319 PolarHBondContact O-N 3.14Å; Y300-L323 PolarHBondContact OH-O 3.32Å; Y300-G324 WeakPolarHBondContact OH-CA 3.2Å; Y300-C325 PolarHBondContact OH-N 3.15Å; Y300-F326 HydrophobicContact CD1-CB 4.41Å; Y300-F326 AromaticContact CD1-CD2 3.88Å; Y300-F326 HydrophobicContact CD1-CD2 3.88Å; Y300-F326 HydrophobicContact CD1-CG 4.48Å; Y300-F326 HydrophobicContact CE1-CB 4.01Å; Y300-F326 HydrophobicContact CE1-CD2 4.13Å; Y300-F329 HydrophobicContact CD1-CB 4.01Å; Y300-F329 HydrophobicContact CD1-CD2 4.06Å; Y300-F329 HydrophobicContact CD1-CG 4.45Å; Y300-F329 HydrophobicContact CD2-CB 3.86Å; Y300-F329 AromaticContact CD2-CD2 3.36Å; Y300-F329 HydrophobicContact CD2-CD2 3.36Å; Y300-F329 HydrophobicContact CD2-CE2 4.01Å; Y300-F329 AromaticContact CD2-CG 3.66Å; Y300-F329 HydrophobicContact CD2-CG 3.66Å; Y300-F329 AromaticContact CE1-CD2 3.86Å; Y300-F329 HydrophobicContact CE1-CD2 3.86Å; Y300-F329 HydrophobicContact CE2-CB 4.47Å; Y300-F329 AromaticContact CE2-CD2 3.13Å; Y300-F329 HydrophobicContact CE2-CD2 3.13Å; Y300-F329 AromaticContact CE2-CE2 3.41Å; Y300-F329 HydrophobicContact CE2-CE2 3.41Å; Y300-F329 VanDerWaalsContact CE2-CE2 3.41Å; Y300-F329 AromaticContact CE2-CG 3.93Å; Y300-F329 HydrophobicContact CE2-CG 3.93Å; Y300-F329 HydrophobicContact CE2-CZ 4.41Å; Y300-F329 HydrophobicContact CG-CB 3.6Å; Y300-F329 AromaticContact CG-CD2 3.83Å; Y300-F329 HydrophobicContact CG-CD2 3.83Å; Y300-F329 AromaticContact CG-CG 3.94Å; Y300-F329 HydrophobicContact CG-CG 3.94Å; Y300-F329 AromaticContact CZ-CD2 3.39Å; Y300-F329 AromaticContact CZ-CE2 3.78Å; Y300-L333 WeakPolarHBondContact O-CD1 3.46Å; Y300-H392 AromaticContact CE1-NE2 3.07Å; Y300-H392 WeakPolarHBondContact CE1-NE2 3.07Å; Y300-H392 AromaticContact CZ-NE2 3.34Å; Y300-H392 VanDerWaalsContact CZ-NE2 3.34Å; Y300-H392 PolarHBondContact OH-NE2 2.75Å
301	C	97.1	Very high	84.5	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	143.6	-172.6	-68.5	0	0	0	0	111.8	T284 F285 F287 V316 H317	T284-C301 VanDerWaalsContact CA-O 3.29Å; T284-C301 WeakPolarHBondContact CA-O 3.36Å; F285-C301 HydrophobicContact CD1-CB 3.83Å; F285-C301 HydrophobicContact CD2-CB 4.11Å; F285-C301 HydrophobicContact CE1-CB 3.5Å; F285-C301 VanDerWaalsContact CE1-CB 3.5Å; F285-C301 HydrophobicContact CE2-CB 3.81Å; F285-C301 HydrophobicContact CG-CB 4.12Å; F285-C301 HydrophobicContact CZ-CB 3.49Å; F285-C301 VanDerWaalsContact CZ-CB 3.49Å; F285-C301 PolarHBondContact N-O 2.97Å; F285-C301 WeakPolarHBondContact O-CA 3.32Å; F285-C301 PolarHBondContact O-N 2.85Å; F285-C301 VanDerWaalsContact O-O 3.11Å; F287-C301 WeakPolarHBondContact CE1-SG 3.28Å; C301-V316 HydrophobicContact CB-CG1 3.78Å; C301-H317 CarbonylContact C-O 3.55Å; C301-H317 WeakPolarHBondContact CA-O 3.32Å
302	R	96.6	Very high	85	Confident	34 Å²	34	52.3 Å²	52.3	13%	0.128	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	112.2	161.2	-166.5	167.1	-178.8	106.3	-13.5	109.5	E283 T284 I304 V316 H317 L333 E334 E337	E283-R302 CarbonylContact O-C 3.29Å; E283-R302 WeakPolarHBondContact O-CA 3.35Å; T284-R302 WeakPolarHBondContact OG1-CD 3.24Å; T284-R302 WeakPolarHBondContact OG1-CG 3.23Å; T284-R302 PolarHBondContact OG1-NH1 3.3Å; R302-I304 HydrophobicContact CG-CG2 3.82Å; R302-V316 WeakPolarHBondContact O-CA 3.4Å; R302-H317 PolarHBondContact N-O 3.26Å; R302-H317 PolarHBondContact O-N 3.45Å; R302-L333 HydrophobicContact CB-CB 3.92Å; R302-L333 HydrophobicContact CB-CD1 4.34Å; R302-L333 HydrophobicContact CB-CD2 4.35Å; R302-L333 HydrophobicContact CB-CG 4.44Å; R302-E334 VanDerWaalsContact CZ-CG 3.45Å; R302-E334 IonicContact NH1-OE1 3.36Å; R302-E334 PolarHBondContact NH1-OE1 3.46Å; R302-E337 IonicContact CZ-OE2 3.69Å; R302-E337 IonicContact NE-OE2 2.68Å; R302-E337 PolarHBondContact NE-OE2 3.39Å; R302-E337 IonicContact NH2-OE2 3.47Å; R302-E337 PolarHBondContact NH2-OE2 3.47Å
303	K	95	Very high	85.8	Confident	15 Å²	15	45.9 Å²	45.9	7%	0.065	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	112.9	178.5	-174.8	171.2	177.7	177.1	0	106.8	D270 S282 E283 F285 V316 L427	D270-K303 IonicContact OD1-NZ 3.71Å; D270-K303 PolarHBondContact OD1-NZ 2.89Å; D270-K303 IonicContact OD2-NZ 3.05Å; D270-K303 PolarHBondContact OD2-NZ 3.4Å; S282-K303 CarbonylContact C-O 3.16Å; S282-K303 VanDerWaalsContact CA-O 3.25Å; S282-K303 WeakPolarHBondContact CA-O 3.32Å; E283-K303 HydrophobicContact CB-CB 4.43Å; E283-K303 PolarHBondContact N-O 3.34Å; E283-K303 PolarHBondContact O-N 3.49Å; F285-K303 HydrophobicContact CE1-CB 4.17Å; F285-K303 HydrophobicContact CE1-CD 4.43Å; K303-V316 HydrophobicContact CB-CG2 3.92Å; K303-V316 HydrophobicContact CG-CG2 4Å; K303-L427 HydrophobicContact CD-CD1 4.29Å
304	I	93.1	Very high	86.9	Confident	6 Å²	6	41.4 Å²	41.4	3%	0.031	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	156	-176	78	168.7	0	0	0	110.7	R302 P314 E315 H317 E337 R340	R302-I304 HydrophobicContact CG-CG2 3.82Å; I304-P314 CarbonylContact O-C 3.58Å; I304-P314 VanDerWaalsContact O-CA 3.23Å; I304-P314 WeakPolarHBondContact O-CA 3.47Å; I304-P314 WeakPolarHBondContact O-CB 3.36Å; I304-E315 HydrophobicContact CD1-CG 4.47Å; I304-E315 HydrophobicContact CG1-CG 3.86Å; I304-E315 PolarHBondContact N-O 3.08Å; I304-E315 PolarHBondContact O-N 2.74Å; I304-H317 WeakPolarHBondContact CD1-CE1 3.32Å; I304-H317 WeakPolarHBondContact CG1-CE1 3.24Å; I304-E337 HydrophobicContact CD1-CG 4.21Å; I304-E337 HydrophobicContact CG2-CB 4.43Å; I304-E337 HydrophobicContact CG2-CG 4.12Å; I304-E337 WeakPolarHBondContact CG2-OE1 3.46Å; I304-R340 HydrophobicContact CD1-CG 4.36Å
305	L	90.7	Very high	87.9	Confident	28 Å²	28	41 Å²	41	15%	0.147	22%	0.222	C	C	.	.			trans	-94.1	112.5	166.2	-170.3	65.8	0	0	0	108.7	R312	L305-R312 HydrophobicContact CD1-CB 4.07Å
306	P	85.9	Confident	88.9	Confident	23 Å²	23	40.2 Å²	40.2	15%	0.149	22%	0.217	C	C	.	.			trans	-55.7	148.2	-176	-20.7	28.2	0	0	0	111.9	R312 L313 E315	P306-R312 PolarHBondContact O-NE 3.04Å; P306-R312 PolarHBondContact O-NH2 3.05Å; P306-L313 VanDerWaalsContact CD-O 3.25Å; P306-L313 WeakPolarHBondContact CD-O 3.4Å; P306-E315 HydrophobicContact CG-CB 4.25Å; P306-E315 HydrophobicContact CG-CG 3.89Å
307	S	81.7	Confident	89.5	Confident	69 Å²	69	39.1 Å²	39.1	48%	0.483	21%	0.213	S	C	.	.	S	Bend	trans	-64.2	146.9	177.1	-41	0	0	0	0	112.4
308	G	76.7	Confident	89.8	Confident	55 Å²	55	37.7 Å²	37.7	57%	0.567	21%	0.208	S	C	*	.	S	Bend	trans	158.5	-171.1	-180	0	0	0	0	0	114.3	R312	G308-R312 VanDerWaalsContact C-NH1 3.28Å; G308-R312 PolarHBondContact O-NH1 2.91Å; G308-R312 VanDerWaalsContact O-NH1 3.09Å
309	K	72.1	Confident	90	Very high	206 Å²	206	36.6 Å²	36.6	90%	0.896	20%	0.203	S	C	*	.	S	Bend	trans	-106.1	154.1	173	-66.2	-174.8	179.5	-178.2	0	110.9
310	G	79.3	Confident	89.9	Confident	56 Å²	56	36.6 Å²	36.6	58%	0.577	20%	0.203	S	C	*	.	S	Bend	trans	72.9	-177.7	177.3	0	0	0	0	0	114.4	R312	G310-R312 PolarHBondContact O-NH1 3.01Å
311	K	82.8	Confident	89.5	Confident	158 Å²	158	36.5 Å²	36.5	69%	0.687	20%	0.203	S	C	*	.			trans	-70.1	135.8	177.5	-68.1	178.1	170.2	-169.2	0	110.9	P276 S277	P276-K311 HydrophobicContact CB-CB 3.81Å; P276-K311 WeakPolarHBondContact O-CD 3.31Å; S277-K311 CarbonylContact O-C 3.53Å; S277-K311 VanDerWaalsContact O-CA 3.29Å; S277-K311 WeakPolarHBondContact O-CA 3.36Å
312	R	87.4	Confident	88.9	Confident	62 Å²	62	39.2 Å²	39.2	23%	0.234	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-137.1	164.4	-176.8	-62.5	-176.3	-56.3	-75.4	9	111	P276 S277 L305 P306 G308 G310	P276-R312 CarbonylContact C-O 3.59Å; P276-R312 VanDerWaalsContact CA-O 3.29Å; P276-R312 WeakPolarHBondContact CA-O 3.37Å; S277-R312 PolarHBondContact N-O 3.15Å; S277-R312 PolarHBondContact O-N 3.28Å; L305-R312 HydrophobicContact CD1-CB 4.07Å; P306-R312 PolarHBondContact O-NE 3.04Å; P306-R312 PolarHBondContact O-NH2 3.05Å; G308-R312 VanDerWaalsContact C-NH1 3.28Å; G308-R312 PolarHBondContact O-NH1 2.91Å; G308-R312 VanDerWaalsContact O-NH1 3.09Å; G310-R312 PolarHBondContact O-NH1 3.01Å
313	L	89.4	Confident	88.2	Confident	35 Å²	35	38.2 Å²	38.2	18%	0.183	21%	0.212	C	C	.	.			trans	-94.6	147.1	172.6	-66.3	165.6	0	0	0	109.6	L225 Y234 W274 P276 P306	L225-L313 HydrophobicContact CB-CB 4.36Å; L225-L313 HydrophobicContact CB-CD1 4.02Å; L225-L313 HydrophobicContact CD1-CB 4.33Å; L225-L313 HydrophobicContact CD1-CD2 4.28Å; Y234-L313 HydrophobicContact CD1-CD1 3.61Å; Y234-L313 HydrophobicContact CE1-CD1 3.39Å; Y234-L313 HydrophobicContact CG-CD1 4.31Å; W274-L313 HydrophobicContact CB-CD2 4.19Å; P276-L313 HydrophobicContact CB-CD2 4.45Å; P276-L313 HydrophobicContact CG-CD2 3.91Å; P276-L313 HydrophobicContact CG-CG 4.13Å; P306-L313 VanDerWaalsContact CD-O 3.25Å; P306-L313 WeakPolarHBondContact CD-O 3.4Å
314	P	92	Very high	87.6	Confident	10 Å²	10	38.6 Å²	38.6	7%	0.065	22%	0.22	C	C	.	.			trans	-65.4	155.5	171.7	25.3	-31.9	0	0	0	112.1	L225 F268 W274 I304	L225-P314 HydrophobicContact CD1-CG 4.19Å; F268-P314 HydrophobicContact CE1-CB 4.45Å; F268-P314 HydrophobicContact CE1-CG 4.1Å; W274-P314 HydrophobicContact CE3-CG 4.25Å; W274-P314 HydrophobicContact CZ3-CG 4.08Å; I304-P314 CarbonylContact O-C 3.58Å; I304-P314 VanDerWaalsContact O-CA 3.23Å; I304-P314 WeakPolarHBondContact O-CA 3.47Å; I304-P314 WeakPolarHBondContact O-CB 3.36Å
315	E	93.4	Very high	87.1	Confident	6 Å²	6	38.4 Å²	38.4	3%	0.028	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	158.1	165.4	75.6	-171.9	152.5	0	0	109.1	V222 V223 I304 P306 H317 R340	V222-E315 HydrophobicContact CG1-CB 4.49Å; V222-E315 HydrophobicContact CG1-CG 4.48Å; V223-E315 WeakPolarHBondContact O-CA 3.08Å; I304-E315 HydrophobicContact CD1-CG 4.47Å; I304-E315 HydrophobicContact CG1-CG 3.86Å; I304-E315 PolarHBondContact N-O 3.08Å; I304-E315 PolarHBondContact O-N 2.74Å; P306-E315 HydrophobicContact CG-CB 4.25Å; P306-E315 HydrophobicContact CG-CG 3.89Å; E315-H317 WeakPolarHBondContact CG-CE1 3.43Å; E315-H317 IonicContact OE1-CE1 2.81Å; E315-H317 PolarHBondContact OE1-CE1 2.66Å; E315-H317 IonicContact OE1-NE2 3.93Å; E315-H317 IonicContact OE2-CE1 2.71Å; E315-H317 IonicContact OE2-NE2 2.85Å; E315-R340 VanDerWaalsContact CD-CZ 3.47Å; E315-R340 IonicContact OE1-CZ 2.95Å; E315-R340 IonicContact OE1-NE 2.97Å; E315-R340 IonicContact OE1-NH1 3.63Å; E315-R340 PolarHBondContact OE1-NH1 3.36Å; E315-R340 IonicContact OE1-NH2 3.63Å; E315-R340 PolarHBondContact OE1-NH2 2.9Å; E315-R340 IonicContact OE2-CZ 2.77Å; E315-R340 IonicContact OE2-NH1 2.9Å; E315-R340 PolarHBondContact OE2-NH1 3.12Å; E315-R340 IonicContact OE2-NH2 3.64Å; E315-R340 PolarHBondContact OE2-NH2 3.25Å
316	V	96.1	Very high	86.8	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	122.9	178.3	175.9	0	0	0	0	109.4	V222 V223 C267 F268 C301 R302 K303	V222-V316 WeakPolarHBondContact CA-O 3.41Å; V223-V316 PolarHBondContact N-O 3.29Å; V223-V316 PolarHBondContact O-N 2.78Å; C267-V316 HydrophobicContact CB-CB 3.95Å; C267-V316 HydrophobicContact CB-CG1 3.86Å; C267-V316 HydrophobicContact CB-CG2 4.18Å; F268-V316 HydrophobicContact CD2-CG2 4.37Å; F268-V316 HydrophobicContact CE1-CG2 4.02Å; F268-V316 HydrophobicContact CE2-CB 4.13Å; F268-V316 HydrophobicContact CE2-CG2 3.73Å; F268-V316 HydrophobicContact CZ-CB 4.27Å; F268-V316 HydrophobicContact CZ-CG2 3.55Å; C301-V316 HydrophobicContact CB-CG1 3.78Å; R302-V316 WeakPolarHBondContact O-CA 3.4Å; K303-V316 HydrophobicContact CB-CG2 3.92Å; K303-V316 HydrophobicContact CG-CG2 4Å
317	H	96.4	Very high	86.8	Confident	3 Å²	3	40 Å²	40	1%	0.014	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	119.6	168.6	-61.7	88.9	0	0	0	108.3	F220 C301 R302 I304 E315 L333 V336 R340	F220-H317 HydrophobicContact CE2-CB 4.06Å; F220-H317 HydrophobicContact CZ-CB 4.24Å; F220-H317 AromaticContact CZ-CD2 3.83Å; C301-H317 CarbonylContact C-O 3.55Å; C301-H317 WeakPolarHBondContact CA-O 3.32Å; R302-H317 PolarHBondContact N-O 3.26Å; R302-H317 PolarHBondContact O-N 3.45Å; I304-H317 WeakPolarHBondContact CD1-CE1 3.32Å; I304-H317 WeakPolarHBondContact CG1-CE1 3.24Å; E315-H317 WeakPolarHBondContact CG-CE1 3.43Å; E315-H317 IonicContact OE1-CE1 2.81Å; E315-H317 PolarHBondContact OE1-CE1 2.66Å; E315-H317 IonicContact OE1-NE2 3.93Å; E315-H317 IonicContact OE2-CE1 2.71Å; E315-H317 IonicContact OE2-NE2 2.85Å; H317-L333 HydrophobicContact CB-CD2 3.9Å; H317-L333 WeakPolarHBondContact O-CD2 3.37Å; H317-V336 HydrophobicContact CB-CG1 4.07Å; H317-R340 PolarHBondContact NE2-NH1 3.22Å
318	C	97.1	Very high	87.1	Confident	0 Å²	0	37 Å²	37	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	125.6	-176.1	175.5	0	0	0	0	111.5	F220 V221 Y300	F220-C318 CarbonylContact C-O 3.53Å; F220-C318 WeakPolarHBondContact CA-O 3.37Å; F220-C318 WeakPolarHBondContact CD2-O 3.37Å; V221-C318 HydrophobicContact CG2-CB 3.76Å; V221-C318 PolarHBondContact N-O 2.76Å; V221-C318 PolarHBondContact O-N 3.07Å; Y300-C318 CarbonylContact O-C 3.59Å; Y300-C318 VanDerWaalsContact O-CA 3.24Å; Y300-C318 WeakPolarHBondContact O-CA 3.36Å
319	I	95.8	Very high	87.8	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	127.6	169	-62.2	170.1	0	0	0	108.5	F217 F220 C299 Y300 F329 I332 L333 M351	F217-I319 HydrophobicContact CB-CG2 3.42Å; F217-I319 VanDerWaalsContact CB-CG2 3.42Å; F217-I319 HydrophobicContact CD1-CG2 4.41Å; F217-I319 HydrophobicContact CD2-CG2 4.24Å; F217-I319 HydrophobicContact CG-CG2 3.79Å; F220-I319 HydrophobicContact CD2-CG1 3.74Å; F220-I319 HydrophobicContact CE2-CG1 4.33Å; C299-I319 CarbonylContact C-O 3.44Å; C299-I319 WeakPolarHBondContact CA-O 3.1Å; Y300-I319 WeakPolarHBondContact CD2-O 3.17Å; Y300-I319 PolarHBondContact N-O 2.95Å; Y300-I319 PolarHBondContact O-N 3.14Å; I319-F329 HydrophobicContact CB-CD1 4.45Å; I319-F329 HydrophobicContact CD1-CB 4.41Å; I319-F329 HydrophobicContact CD1-CD1 4.08Å; I319-F329 HydrophobicContact CG2-CD1 3.74Å; I319-F329 HydrophobicContact CG2-CE1 4Å; I319-F329 HydrophobicContact CG2-CG 4.44Å; I319-I332 HydrophobicContact CD1-CB 4.05Å; I319-I332 HydrophobicContact CD1-CG2 3.6Å; I319-L333 HydrophobicContact CD1-CD1 4.47Å; I319-L333 HydrophobicContact CD1-CD2 4.01Å; I319-L333 HydrophobicContact CD1-CG 3.85Å; I319-L333 HydrophobicContact CG1-CD2 4.02Å; I319-L333 HydrophobicContact CG1-CG 4.32Å; I319-M351 HydrophobicContact CD1-CE 4.02Å; I319-M351 HydrophobicContact CG1-CE 4.06Å
320	V	92.5	Very high	88.7	Confident	1 Å²	1	25.1 Å²	25.1	1%	0.006	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	117.7	176.5	-173.6	0	0	0	0	108.9	Q218 I219 I263 W297 F298	Q218-V320 PolarHBondContact N-O 3.07Å; I219-V320 HydrophobicContact CB-CB 4.22Å; I219-V320 HydrophobicContact CB-CG2 4.29Å; I219-V320 PolarHBondContact N-O 2.69Å; I219-V320 WeakPolarHBondContact O-CB 3.34Å; I219-V320 PolarHBondContact O-N 3.43Å; I263-V320 HydrophobicContact CD1-CG2 3.61Å; W297-V320 HydrophobicContact CB-CG1 4.15Å; W297-V320 HydrophobicContact CD2-CG1 3.92Å; W297-V320 HydrophobicContact CE3-CG1 3.45Å; W297-V320 VanDerWaalsContact CE3-CG1 3.45Å; W297-V320 HydrophobicContact CG-CG1 4.25Å; W297-V320 HydrophobicContact CZ3-CG1 4.16Å; F298-V320 WeakPolarHBondContact O-CA 3.47Å
321	S	88.9	Confident	89.2	Confident	0 Å²	0	27 Å²	27	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	148.8	174.6	-164.1	0	0	0	0	112.7	L216 F298 L323	L216-S321 WeakPolarHBondContact O-CB 3.31Å; L216-S321 PolarHBondContact O-OG 2.71Å; F298-S321 WeakPolarHBondContact CA-O 3.43Å; F298-S321 WeakPolarHBondContact CB-O 3.34Å; F298-S321 PolarHBondContact N-O 2.88Å; F298-S321 PolarHBondContact O-N 3.05Å; S321-L323 PolarHBondContact OG-N 2.81Å; S321-L323 VanDerWaalsContact OG-N 3.17Å
322	K	84.3	Confident	89.7	Confident	57 Å²	57	19.5 Å²	19.5	25%	0.248	10%	0.099	C	C	.	.	S	Bend	trans	-75.2	-11.5	164.4	-67.2	-160.1	174.7	-155.2	0	113.1	L206	L206-K322 HydrophobicContact CD2-CB 3.82Å; L206-K322 HydrophobicContact CD2-CD 4.2Å
323	L	81.8	Confident	90.1	Very high	12 Å²	12	16.6 Å²	16.6	6%	0.063	9%	0.088	C	C	.	.	S	Bend	trans	-81.5	133.6	176.9	-80.9	150.6	0	0	0	110.4	Q210 L216 Y300 S321 C325 F329 F359	Q210-L323 HydrophobicContact CB-CD2 4.3Å; Q210-L323 HydrophobicContact CG-CD2 3.95Å; Q210-L323 HydrophobicContact CG-CG 4.43Å; L216-L323 WeakPolarHBondContact O-CD1 3.39Å; Y300-L323 PolarHBondContact OH-O 3.32Å; S321-L323 PolarHBondContact OG-N 2.81Å; S321-L323 VanDerWaalsContact OG-N 3.17Å; L323-C325 PolarHBondContact O-N 3.48Å; L323-F329 HydrophobicContact CB-CE2 4.4Å; L323-F329 HydrophobicContact CB-CZ 4.34Å; L323-F359 HydrophobicContact CB-CE2 4.3Å; L323-F359 HydrophobicContact CD1-CD2 3.33Å; L323-F359 HydrophobicContact CD1-CE2 3.63Å; L323-F359 HydrophobicContact CD1-CG 3.97Å; L323-F359 HydrophobicContact CD1-CZ 4.45Å; L323-F359 HydrophobicContact CG-CD2 4.09Å; L323-F359 HydrophobicContact CG-CE2 3.93Å; L323-F359 HydrophobicContact CG-CZ 4.35Å
324	G	81.8	Confident	90.2	Very high	23 Å²	23	19.1 Å²	19.1	24%	0.237	10%	0.099	C	C	.	.			trans	-91.3	77.9	-178	0	0	0	0	0	113.4	Y300 E391 H392	Y300-G324 WeakPolarHBondContact OH-CA 3.2Å; G324-E391 VanDerWaalsContact O-CB 3.29Å; G324-E391 WeakPolarHBondContact O-CB 3.41Å; G324-H392 WeakPolarHBondContact CA-CD2 3.41Å; G324-H392 PolarHBondContact O-CD2 2.96Å
325	C	83.6	Confident	90.2	Very high	2 Å²	2	19.6 Å²	19.6	1%	0.014	10%	0.1	C	C	.	.			trans	-139	50.7	-158.7	-139.7	0	0	0	0	113.6	Y300 L323 N327 L328 F329 E391	Y300-C325 PolarHBondContact OH-N 3.15Å; L323-C325 PolarHBondContact O-N 3.48Å; C325-N327 VanDerWaalsContact C-N 3.34Å; C325-N327 PolarHBondContact O-N 3.1Å; C325-L328 HydrophobicContact CB-CB 4.1Å; C325-L328 WeakPolarHBondContact O-CB 3.47Å; C325-L328 PolarHBondContact O-N 2.93Å; C325-L328 WeakPolarHBondContact SG-CB 3.34Å; C325-F329 HydrophobicContact CB-CD2 3.83Å; C325-F329 HydrophobicContact CB-CE2 3.44Å; C325-F329 VanDerWaalsContact CB-CE2 3.44Å; C325-F329 HydrophobicContact CB-CZ 4.27Å; C325-F329 WeakPolarHBondContact O-CD2 3.18Å; C325-F329 PolarHBondContact O-N 3.45Å; C325-E391 PolarHBondContact SG-OE2 2.92Å
326	F	84.8	Confident	90.2	Very high	12 Å²	12	19.3 Å²	19.3	5%	0.053	10%	0.099	C	C	.	.	H	α-helix	trans	-50.9	-48	-173	-171.9	-91.3	0	0	0	113.6	T284 S286 Y300 L328 F329 A330 E391 H392	T284-F326 HydrophobicContact CG2-CE1 4.49Å; T284-F326 HydrophobicContact CG2-CE2 4.4Å; T284-F326 HydrophobicContact CG2-CZ 3.87Å; S286-F326 WeakPolarHBondContact OG-CD2 3.33Å; S286-F326 WeakPolarHBondContact OG-CE2 3.33Å; Y300-F326 HydrophobicContact CD1-CB 4.41Å; Y300-F326 AromaticContact CD1-CD2 3.88Å; Y300-F326 HydrophobicContact CD1-CD2 3.88Å; Y300-F326 HydrophobicContact CD1-CG 4.48Å; Y300-F326 HydrophobicContact CE1-CB 4.01Å; Y300-F326 HydrophobicContact CE1-CD2 4.13Å; F326-L328 PolarHBondContact O-N 2.93Å; F326-F329 PolarHBondContact O-N 2.82Å; F326-A330 VanDerWaalsContact O-CB 3.27Å; F326-A330 WeakPolarHBondContact O-CB 3.4Å; F326-A330 PolarHBondContact O-N 3.43Å; F326-E391 PolarHBondContact N-O 2.94Å; F326-H392 WeakPolarHBondContact CB-CE1 3.45Å; F326-H392 AromaticContact CG-CE1 3.8Å
327	N	84.4	Confident	90	Very high	73 Å²	73	20.7 Å²	20.7	39%	0.39	11%	0.106	S	C	.	.	H	α-helix	trans	-67.1	-20.8	-178.4	-74.4	-39.3	0	0	0	113.9	C325 K331 E391	C325-N327 VanDerWaalsContact C-N 3.34Å; C325-N327 PolarHBondContact O-N 3.1Å; N327-K331 WeakPolarHBondContact O-CD 3.43Å; N327-K331 WeakPolarHBondContact O-CG 3.45Å; N327-E391 PolarHBondContact N-O 3.15Å
328	L	88	Confident	89.8	Confident	6 Å²	6	24.4 Å²	24.4	3%	0.031	12%	0.12	C	C	.	.	H	α-helix	trans	-83.8	-46.1	174.3	-178.2	147.3	0	0	0	110.8	C325 F326 K331 I332 P360 L382	C325-L328 HydrophobicContact CB-CB 4.1Å; C325-L328 WeakPolarHBondContact O-CB 3.47Å; C325-L328 PolarHBondContact O-N 2.93Å; C325-L328 WeakPolarHBondContact SG-CB 3.34Å; F326-L328 PolarHBondContact O-N 2.93Å; L328-K331 PolarHBondContact O-N 3.17Å; L328-I332 HydrophobicContact CD2-CD1 3.61Å; L328-I332 HydrophobicContact CG-CD1 4.49Å; L328-I332 WeakPolarHBondContact O-CG1 3.41Å; L328-I332 PolarHBondContact O-N 2.84Å; L328-P360 HydrophobicContact CD1-CG 3.82Å; L328-L382 HydrophobicContact CD1-CB 4.19Å; L328-L382 HydrophobicContact CD2-CD1 4.5Å; L328-L382 HydrophobicContact CG-CB 4.42Å; L328-L382 HydrophobicContact CG-CD1 4.44Å; L328-L382 HydrophobicContact CG-CD2 4.36Å
329	F	91.6	Very high	89.4	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-73.6	-30.8	-179.9	-62	-63.7	0	0	0	113.5	L216 F217 Y300 I319 L323 C325 F326 K331 I332 L333	L216-F329 HydrophobicContact CB-CE1 4.45Å; L216-F329 WeakPolarHBondContact O-CE1 3.45Å; L216-F329 WeakPolarHBondContact O-CZ 3.48Å; F217-F329 HydrophobicContact CB-CE1 4.3Å; Y300-F329 HydrophobicContact CD1-CB 4.01Å; Y300-F329 HydrophobicContact CD1-CD2 4.06Å; Y300-F329 HydrophobicContact CD1-CG 4.45Å; Y300-F329 HydrophobicContact CD2-CB 3.86Å; Y300-F329 AromaticContact CD2-CD2 3.36Å; Y300-F329 HydrophobicContact CD2-CD2 3.36Å; Y300-F329 HydrophobicContact CD2-CE2 4.01Å; Y300-F329 AromaticContact CD2-CG 3.66Å; Y300-F329 HydrophobicContact CD2-CG 3.66Å; Y300-F329 AromaticContact CE1-CD2 3.86Å; Y300-F329 HydrophobicContact CE1-CD2 3.86Å; Y300-F329 HydrophobicContact CE2-CB 4.47Å; Y300-F329 AromaticContact CE2-CD2 3.13Å; Y300-F329 HydrophobicContact CE2-CD2 3.13Å; Y300-F329 AromaticContact CE2-CE2 3.41Å; Y300-F329 HydrophobicContact CE2-CE2 3.41Å; Y300-F329 VanDerWaalsContact CE2-CE2 3.41Å; Y300-F329 AromaticContact CE2-CG 3.93Å; Y300-F329 HydrophobicContact CE2-CG 3.93Å; Y300-F329 HydrophobicContact CE2-CZ 4.41Å; Y300-F329 HydrophobicContact CG-CB 3.6Å; Y300-F329 AromaticContact CG-CD2 3.83Å; Y300-F329 HydrophobicContact CG-CD2 3.83Å; Y300-F329 AromaticContact CG-CG 3.94Å; Y300-F329 HydrophobicContact CG-CG 3.94Å; Y300-F329 AromaticContact CZ-CD2 3.39Å; Y300-F329 AromaticContact CZ-CE2 3.78Å; I319-F329 HydrophobicContact CB-CD1 4.45Å; I319-F329 HydrophobicContact CD1-CB 4.41Å; I319-F329 HydrophobicContact CD1-CD1 4.08Å; I319-F329 HydrophobicContact CG2-CD1 3.74Å; I319-F329 HydrophobicContact CG2-CE1 4Å; I319-F329 HydrophobicContact CG2-CG 4.44Å; L323-F329 HydrophobicContact CB-CE2 4.4Å; L323-F329 HydrophobicContact CB-CZ 4.34Å; C325-F329 HydrophobicContact CB-CD2 3.83Å; C325-F329 HydrophobicContact CB-CE2 3.44Å; C325-F329 VanDerWaalsContact CB-CE2 3.44Å; C325-F329 HydrophobicContact CB-CZ 4.27Å; C325-F329 WeakPolarHBondContact O-CD2 3.18Å; C325-F329 PolarHBondContact O-N 3.45Å; F326-F329 PolarHBondContact O-N 2.82Å; F329-K331 PolarHBondContact O-N 2.9Å; F329-I332 HydrophobicContact CD1-CD1 4.01Å; F329-I332 HydrophobicContact CE1-CD1 4.48Å; F329-I332 PolarHBondContact O-N 2.95Å; F329-L333 WeakPolarHBondContact O-CB 3.43Å; F329-L333 VanDerWaalsContact O-CG 3.31Å; F329-L333 WeakPolarHBondContact O-CG 3.31Å; F329-L333 PolarHBondContact O-N 2.85Å
330	A	91.2	Very high	89.1	Confident	12 Å²	12	26.6 Å²	26.6	10%	0.099	13%	0.128	C	C	.	.	H	α-helix	trans	-57.6	-48	171.9	0	0	0	0	0	111.4	T284 F326 I332 L333 E334	T284-A330 HydrophobicContact CG2-CB 4.2Å; F326-A330 VanDerWaalsContact O-CB 3.27Å; F326-A330 WeakPolarHBondContact O-CB 3.4Å; F326-A330 PolarHBondContact O-N 3.43Å; A330-I332 VanDerWaalsContact C-N 3.32Å; A330-I332 PolarHBondContact O-N 2.69Å; A330-L333 PolarHBondContact O-N 2.82Å; A330-L333 VanDerWaalsContact O-N 3.08Å; A330-E334 WeakPolarHBondContact O-CG 3.38Å; A330-E334 PolarHBondContact O-N 3.24Å
331	K	91	Very high	88.9	Confident	95 Å²	95	32.6 Å²	32.6	41%	0.413	16%	0.156	S	C	.	.	H	α-helix	trans	-62.5	-35.7	176.5	-69.8	173.3	-177.3	172.7	0	113	N327 L328 F329 E335	N327-K331 WeakPolarHBondContact O-CD 3.43Å; N327-K331 WeakPolarHBondContact O-CG 3.45Å; L328-K331 PolarHBondContact O-N 3.17Å; F329-K331 PolarHBondContact O-N 2.9Å; K331-E335 WeakPolarHBondContact O-CB 3.48Å; K331-E335 PolarHBondContact O-N 3.01Å
332	I	93.1	Very high	88.9	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-67.3	-41.2	173.3	-64.3	165.7	0	0	0	110.3	L216 I319 L328 F329 A330 E335 V336 F350 M351 V354 L380 L382	L216-I332 HydrophobicContact CD1-CD1 4.38Å; I319-I332 HydrophobicContact CD1-CB 4.05Å; I319-I332 HydrophobicContact CD1-CG2 3.6Å; L328-I332 HydrophobicContact CD2-CD1 3.61Å; L328-I332 HydrophobicContact CG-CD1 4.49Å; L328-I332 WeakPolarHBondContact O-CG1 3.41Å; L328-I332 PolarHBondContact O-N 2.84Å; F329-I332 HydrophobicContact CD1-CD1 4.01Å; F329-I332 HydrophobicContact CE1-CD1 4.48Å; F329-I332 PolarHBondContact O-N 2.95Å; A330-I332 VanDerWaalsContact C-N 3.32Å; A330-I332 PolarHBondContact O-N 2.69Å; I332-E335 PolarHBondContact O-N 2.93Å; I332-V336 WeakPolarHBondContact O-CG2 3.42Å; I332-V336 PolarHBondContact O-N 2.89Å; I332-F350 HydrophobicContact CG2-CE1 3.8Å; I332-F350 HydrophobicContact CG2-CZ 4.11Å; I332-M351 HydrophobicContact CG2-CE 4.19Å; I332-M351 HydrophobicContact CG2-SD 4.01Å; I332-V354 HydrophobicContact CD1-CG1 3.79Å; I332-V354 HydrophobicContact CG1-CG1 4.41Å; I332-V354 HydrophobicContact CG2-CG1 4.14Å; I332-V354 HydrophobicContact CG2-CG2 4.27Å; I332-L380 HydrophobicContact CG1-CD2 4.21Å; I332-L382 HydrophobicContact CD1-CD1 3.99Å; I332-L382 HydrophobicContact CD1-CD2 4.33Å; I332-L382 HydrophobicContact CG1-CD1 4.25Å; I332-L382 HydrophobicContact CG1-CD2 3.88Å
333	L	94.8	Very high	88.9	Confident	1 Å²	1	36.4 Å²	36.4	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-71.4	-33.9	-179.7	-73.7	164.2	0	0	0	113.5	F220 Y300 R302 H317 I319 F329 A330 E335 V336 E337	F220-L333 HydrophobicContact CE2-CD2 4.42Å; Y300-L333 WeakPolarHBondContact O-CD1 3.46Å; R302-L333 HydrophobicContact CB-CB 3.92Å; R302-L333 HydrophobicContact CB-CD1 4.34Å; R302-L333 HydrophobicContact CB-CD2 4.35Å; R302-L333 HydrophobicContact CB-CG 4.44Å; H317-L333 HydrophobicContact CB-CD2 3.9Å; H317-L333 WeakPolarHBondContact O-CD2 3.37Å; I319-L333 HydrophobicContact CD1-CD1 4.47Å; I319-L333 HydrophobicContact CD1-CD2 4.01Å; I319-L333 HydrophobicContact CD1-CG 3.85Å; I319-L333 HydrophobicContact CG1-CD2 4.02Å; I319-L333 HydrophobicContact CG1-CG 4.32Å; F329-L333 WeakPolarHBondContact O-CB 3.43Å; F329-L333 VanDerWaalsContact O-CG 3.31Å; F329-L333 WeakPolarHBondContact O-CG 3.31Å; F329-L333 PolarHBondContact O-N 2.85Å; A330-L333 PolarHBondContact O-N 2.82Å; A330-L333 VanDerWaalsContact O-N 3.08Å; L333-E335 VanDerWaalsContact C-N 3.34Å; L333-V336 WeakPolarHBondContact O-CB 3.44Å; L333-V336 PolarHBondContact O-N 3.18Å; L333-E337 PolarHBondContact O-N 2.9Å
334	E	92.7	Very high	89.1	Confident	88 Å²	88	38.6 Å²	38.6	41%	0.411	20%	0.197	S	C	.	.	H	α-helix	trans	-61.8	-43.1	169.9	-75.8	166.6	170.6	0	0	111.3	R302 A330 E337 R338	R302-E334 VanDerWaalsContact CZ-CG 3.45Å; R302-E334 IonicContact NH1-OE1 3.36Å; R302-E334 PolarHBondContact NH1-OE1 3.46Å; A330-E334 WeakPolarHBondContact O-CG 3.38Å; A330-E334 PolarHBondContact O-N 3.24Å; E334-E337 PolarHBondContact O-N 3.42Å; E334-R338 PolarHBondContact O-N 3.27Å
335	E	91.8	Very high	89.3	Confident	21 Å²	21	41.6 Å²	41.6	10%	0.098	21%	0.212	C	C	.	.	H	α-helix	trans	-69.9	-31.8	175	178.8	63.3	175.7	0	0	112.7	K331 I332 L333 R338 R339 F350 L380	K331-E335 WeakPolarHBondContact O-CB 3.48Å; K331-E335 PolarHBondContact O-N 3.01Å; I332-E335 PolarHBondContact O-N 2.93Å; L333-E335 VanDerWaalsContact C-N 3.34Å; E335-R338 IonicContact OE1-CZ 2.66Å; E335-R338 IonicContact OE1-NH2 3.21Å; E335-R338 PolarHBondContact OE1-NH2 3.35Å; E335-R338 IonicContact OE2-CZ 3.54Å; E335-R338 IonicContact OE2-NE 3.39Å; E335-R338 PolarHBondContact OE2-NE 3.23Å; E335-R338 IonicContact OE2-NH2 3.66Å; E335-R338 PolarHBondContact OE2-NH2 2.87Å; E335-R339 WeakPolarHBondContact O-CB 3.36Å; E335-R339 WeakPolarHBondContact O-CD 3.35Å; E335-R339 WeakPolarHBondContact O-CG 3.37Å; E335-R339 PolarHBondContact O-N 3.47Å; E335-R339 IonicContact OE1-CZ 3.17Å; E335-R339 IonicContact OE1-NE 2.79Å; E335-R339 PolarHBondContact OE1-NE 3.12Å; E335-R339 IonicContact OE1-NH2 3.26Å; E335-R339 PolarHBondContact OE1-NH2 3.41Å; E335-F350 HydrophobicContact CB-CE1 4.11Å; E335-F350 HydrophobicContact CB-CZ 3.88Å; E335-F350 HydrophobicContact CG-CD1 4.37Å; E335-F350 HydrophobicContact CG-CD2 4.25Å; E335-F350 HydrophobicContact CG-CE1 3.77Å; E335-F350 HydrophobicContact CG-CE2 3.63Å; E335-F350 HydrophobicContact CG-CZ 3.36Å; E335-L380 HydrophobicContact CB-CD2 4.26Å; E335-L380 HydrophobicContact CG-CD2 4.26Å
336	V	92.9	Very high	89.6	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-62.5	-46.7	169	162.3	0	0	0	0	111.3	F220 H317 I332 L333 R339 R340 V347 F350 M351	F220-V336 HydrophobicContact CE2-CG1 4.35Å; F220-V336 HydrophobicContact CE2-CG2 4.33Å; F220-V336 HydrophobicContact CZ-CG1 3.94Å; F220-V336 HydrophobicContact CZ-CG2 4.3Å; H317-V336 HydrophobicContact CB-CG1 4.07Å; I332-V336 WeakPolarHBondContact O-CG2 3.42Å; I332-V336 PolarHBondContact O-N 2.89Å; L333-V336 WeakPolarHBondContact O-CB 3.44Å; L333-V336 PolarHBondContact O-N 3.18Å; V336-R339 PolarHBondContact O-N 3.43Å; V336-R340 VanDerWaalsContact O-CB 3.29Å; V336-R340 WeakPolarHBondContact O-CB 3.5Å; V336-R340 PolarHBondContact O-N 3.16Å; V336-V347 HydrophobicContact CG1-CG1 3.85Å; V336-V347 HydrophobicContact CG1-CG2 4.32Å; V336-V347 HydrophobicContact CG2-CG1 4.22Å; V336-F350 HydrophobicContact CG2-CD1 3.96Å; V336-F350 HydrophobicContact CG2-CE1 3.92Å; V336-M351 HydrophobicContact CG2-CG 4.34Å; V336-M351 HydrophobicContact CG2-SD 3.51Å; V336-M351 VanDerWaalsContact CG2-SD 3.51Å
337	E	92.5	Very high	89.8	Confident	29 Å²	29	42.3 Å²	42.3	14%	0.136	22%	0.216	C	C	.	.	H	α-helix	trans	-59.5	-53.9	178.1	175.8	173.5	-133.9	0	0	110.6	S282 R302 I304 L333 E334 R339 R340 E341	S282-E337 WeakPolarHBondContact CB-OE1 3.44Å; S282-E337 PolarHBondContact OG-OE1 2.9Å; R302-E337 IonicContact CZ-OE2 3.69Å; R302-E337 IonicContact NE-OE2 2.68Å; R302-E337 PolarHBondContact NE-OE2 3.39Å; R302-E337 IonicContact NH2-OE2 3.47Å; R302-E337 PolarHBondContact NH2-OE2 3.47Å; I304-E337 HydrophobicContact CD1-CG 4.21Å; I304-E337 HydrophobicContact CG2-CB 4.43Å; I304-E337 HydrophobicContact CG2-CG 4.12Å; I304-E337 WeakPolarHBondContact CG2-OE1 3.46Å; L333-E337 PolarHBondContact O-N 2.9Å; E334-E337 PolarHBondContact O-N 3.42Å; E337-R339 VanDerWaalsContact C-N 3.27Å; E337-R339 PolarHBondContact O-N 2.92Å; E337-R340 WeakPolarHBondContact O-CA 3.33Å; E337-R340 WeakPolarHBondContact O-CB 3.48Å; E337-R340 PolarHBondContact O-N 3.26Å; E337-E341 PolarHBondContact O-N 2.86Å
338	R	90.4	Very high	90	Very high	81 Å²	81	42.7 Å²	42.7	31%	0.306	21%	0.213	S	C	.	.	H	α-helix	trans	-56.1	-39.5	178.6	-167.9	-172.5	68	100.9	7.5	112.5	E334 E335 E378	E334-R338 PolarHBondContact O-N 3.27Å; E335-R338 IonicContact OE1-CZ 2.66Å; E335-R338 IonicContact OE1-NH2 3.21Å; E335-R338 PolarHBondContact OE1-NH2 3.35Å; E335-R338 IonicContact OE2-CZ 3.54Å; E335-R338 IonicContact OE2-NE 3.39Å; E335-R338 PolarHBondContact OE2-NE 3.23Å; E335-R338 IonicContact OE2-NH2 3.66Å; E335-R338 PolarHBondContact OE2-NH2 2.87Å; R338-E378 IonicContact CZ-OE1 3.65Å; R338-E378 IonicContact CZ-OE2 2.78Å; R338-E378 IonicContact NH1-OE1 2.74Å; R338-E378 PolarHBondContact NH1-OE1 2.84Å; R338-E378 IonicContact NH1-OE2 3.87Å; R338-E378 PolarHBondContact NH1-OE2 3.31Å; R338-E378 IonicContact NH2-OE1 2.48Å; R338-E378 IonicContact NH2-OE2 3.17Å; R338-E378 PolarHBondContact NH2-OE2 2.91Å
339	R	89.7	Confident	90	Very high	2 Å²	2	45.5 Å²	45.5	1%	0.008	23%	0.23	C	C	.	.	H	α-helix	trans	-70	-34.4	174.5	-74.2	173.6	-178	-88.5	-16.8	112.7	E335 V336 E337 I342 S343 L346 V347 S370 F371 L372 E378	E335-R339 WeakPolarHBondContact O-CB 3.36Å; E335-R339 WeakPolarHBondContact O-CD 3.35Å; E335-R339 WeakPolarHBondContact O-CG 3.37Å; E335-R339 PolarHBondContact O-N 3.47Å; E335-R339 IonicContact OE1-CZ 3.17Å; E335-R339 IonicContact OE1-NE 2.79Å; E335-R339 PolarHBondContact OE1-NE 3.12Å; E335-R339 IonicContact OE1-NH2 3.26Å; E335-R339 PolarHBondContact OE1-NH2 3.41Å; V336-R339 PolarHBondContact O-N 3.43Å; E337-R339 VanDerWaalsContact C-N 3.27Å; E337-R339 PolarHBondContact O-N 2.92Å; R339-I342 PolarHBondContact O-N 2.84Å; R339-S343 PolarHBondContact O-N 2.95Å; R339-L346 HydrophobicContact CB-CB 4.22Å; R339-V347 HydrophobicContact CB-CG2 4.2Å; R339-S370 PolarHBondContact NH1-OG 3.42Å; R339-S370 PolarHBondContact NH2-O 2.86Å; R339-F371 PolarHBondContact NH1-O 2.88Å; R339-L372 HydrophobicContact CG-CD1 3.78Å; R339-E378 IonicContact NH2-OE2 2.82Å
340	R	89.6	Confident	90	Very high	44 Å²	44	45.5 Å²	45.5	17%	0.166	23%	0.23	C	C	.	.	H	α-helix	trans	-69.8	-33.2	179.5	178.9	54.9	-174.8	-83.6	-11.1	112.5	I304 E315 H317 V336 E337 I342 V347	I304-R340 HydrophobicContact CD1-CG 4.36Å; E315-R340 VanDerWaalsContact CD-CZ 3.47Å; E315-R340 IonicContact OE1-CZ 2.95Å; E315-R340 IonicContact OE1-NE 2.97Å; E315-R340 IonicContact OE1-NH1 3.63Å; E315-R340 PolarHBondContact OE1-NH1 3.36Å; E315-R340 IonicContact OE1-NH2 3.63Å; E315-R340 PolarHBondContact OE1-NH2 2.9Å; E315-R340 IonicContact OE2-CZ 2.77Å; E315-R340 IonicContact OE2-NH1 2.9Å; E315-R340 PolarHBondContact OE2-NH1 3.12Å; E315-R340 IonicContact OE2-NH2 3.64Å; E315-R340 PolarHBondContact OE2-NH2 3.25Å; H317-R340 PolarHBondContact NE2-NH1 3.22Å; V336-R340 VanDerWaalsContact O-CB 3.29Å; V336-R340 WeakPolarHBondContact O-CB 3.5Å; V336-R340 PolarHBondContact O-N 3.16Å; E337-R340 WeakPolarHBondContact O-CA 3.33Å; E337-R340 WeakPolarHBondContact O-CB 3.48Å; E337-R340 PolarHBondContact O-N 3.26Å; R340-I342 VanDerWaalsContact C-N 3.26Å; R340-I342 PolarHBondContact O-N 2.9Å; R340-V347 HydrophobicContact CB-CG2 3.92Å
341	E	88.1	Confident	90	Very high	127 Å²	127	44.9 Å²	44.9	59%	0.593	23%	0.225	S	C	*	.	H	α-helix	trans	-61.2	-35.8	172.3	-62.1	-164	122.4	0	0	112.3	E337	E337-E341 PolarHBondContact O-N 2.86Å
342	I	88.1	Confident	89.9	Confident	86 Å²	86	45.7 Å²	45.7	44%	0.441	23%	0.226	S	C	.	.	H	α-helix	trans	-81	-55.3	-178.9	-60.8	166.7	0	0	0	111	R339 R340 L346 L372	R339-I342 PolarHBondContact O-N 2.84Å; R340-I342 VanDerWaalsContact C-N 3.26Å; R340-I342 PolarHBondContact O-N 2.9Å; I342-L346 HydrophobicContact CB-CD1 4.06Å; I342-L346 HydrophobicContact CG2-CD1 3.63Å; I342-L372 HydrophobicContact CD1-CD1 4.02Å; I342-L372 HydrophobicContact CD1-CD2 3.69Å; I342-L372 HydrophobicContact CD1-CG 4.14Å
343	S	86.1	Confident	89.6	Confident	50 Å²	50	47.3 Å²	47.3	35%	0.35	24%	0.237	S	C	.	.			trans	-166.6	130.2	176.2	-146.4	0	0	0	0	113.1	R339 P345 L346	R339-S343 PolarHBondContact O-N 2.95Å; S343-P345 VanDerWaalsContact C-CD 3.41Å; S343-L346 WeakPolarHBondContact O-CB 3.46Å; S343-L346 PolarHBondContact O-N 2.6Å
344	P	85.1	Confident	89.4	Confident	58 Å²	58	47.3 Å²	47.3	38%	0.377	24%	0.237	S	C	.	.	H	α-helix	trans	-51.5	-38	179	-24.7	31.4	0	0	0	116.2	L346 V347	P344-L346 PolarHBondContact O-N 3.08Å; P344-V347 WeakPolarHBondContact O-CB 3.19Å; P344-V347 PolarHBondContact O-N 3.5Å
345	P	86.5	Confident	89.1	Confident	87 Å²	87	45.2 Å²	45.2	57%	0.565	23%	0.228	S	C	*	.	H	α-helix	trans	-61.7	-25.4	177.3	-25.5	36.6	0	0	0	114.8	S343 V347 Y348 T349	S343-P345 VanDerWaalsContact C-CD 3.41Å; P345-V347 VanDerWaalsContact C-N 3.26Å; P345-V347 PolarHBondContact O-N 3.18Å; P345-Y348 PolarHBondContact O-N 3.49Å; P345-T349 PolarHBondContact O-N 3.27Å
346	L	88.5	Confident	88.7	Confident	22 Å²	22	50.4 Å²	50.4	12%	0.115	25%	0.252	C	S	.	.	H	α-helix	trans	-69.3	-25.7	179.5	-62.5	173.3	0	0	0	112.6	R339 I342 S343 P344 T349 F350 L372 P373	R339-L346 HydrophobicContact CB-CB 4.22Å; I342-L346 HydrophobicContact CB-CD1 4.06Å; I342-L346 HydrophobicContact CG2-CD1 3.63Å; S343-L346 WeakPolarHBondContact O-CB 3.46Å; S343-L346 PolarHBondContact O-N 2.6Å; P344-L346 PolarHBondContact O-N 3.08Å; L346-T349 PolarHBondContact O-OG1 3.48Å; L346-T349 VanDerWaalsContact O-OG1 3.14Å; L346-F350 WeakPolarHBondContact O-CB 3.17Å; L346-F350 PolarHBondContact O-N 3.06Å; L346-F350 VanDerWaalsContact O-N 3.07Å; L346-L372 HydrophobicContact CD1-CD1 4.32Å; L346-P373 HydrophobicContact CD1-CG 4.16Å; L346-P373 HydrophobicContact CD2-CG 3.92Å
347	V	90.4	Very high	88.3	Confident	6 Å²	6	50.9 Å²	50.9	4%	0.036	26%	0.256	C	S	.	.	H	α-helix	trans	-66	-44.2	171.4	179.4	0	0	0	0	109.9	F220 V336 R339 R340 P344 P345 T349 F350 M351	F220-V347 HydrophobicContact CE1-CG1 3.77Å; F220-V347 HydrophobicContact CZ-CG1 3.81Å; V336-V347 HydrophobicContact CG1-CG1 3.85Å; V336-V347 HydrophobicContact CG1-CG2 4.32Å; V336-V347 HydrophobicContact CG2-CG1 4.22Å; R339-V347 HydrophobicContact CB-CG2 4.2Å; R340-V347 HydrophobicContact CB-CG2 3.92Å; P344-V347 WeakPolarHBondContact O-CB 3.19Å; P344-V347 PolarHBondContact O-N 3.5Å; P345-V347 VanDerWaalsContact C-N 3.26Å; P345-V347 PolarHBondContact O-N 3.18Å; V347-T349 PolarHBondContact O-N 3.39Å; V347-F350 PolarHBondContact O-N 2.84Å; V347-M351 HydrophobicContact CG1-CG 4.16Å; V347-M351 WeakPolarHBondContact O-CG 3.42Å; V347-M351 PolarHBondContact O-N 3.26Å
348	Y	88	Confident	87.8	Confident	82 Å²	82	52.8 Å²	52.8	32%	0.322	27%	0.271	S	S	.	.	H	α-helix	trans	-65.5	-41.2	-179	-171.7	-83.8	0	0	0	112.4	F242 K244 P345 R352	F242-Y348 HydrophobicContact CD2-CD2 4Å; F242-Y348 HydrophobicContact CD2-CE1 4.49Å; F242-Y348 AromaticContact CD2-CE2 3.54Å; F242-Y348 HydrophobicContact CD2-CE2 3.54Å; F242-Y348 AromaticContact CD2-CZ 3.81Å; F242-Y348 HydrophobicContact CE2-CE1 4.37Å; F242-Y348 HydrophobicContact CE2-CE2 4.19Å; F242-Y348 AromaticContact CE2-CZ 3.99Å; K244-Y348 HydrophobicContact CG-CE2 4.32Å; P345-Y348 PolarHBondContact O-N 3.49Å; Y348-R352 PolarHBondContact O-N 2.92Å
349	T	88.3	Confident	87.3	Confident	64 Å²	64	50.4 Å²	50.4	39%	0.393	26%	0.263	S	S	.	.	H	α-helix	trans	-68.5	-37.9	175.8	54.1	0	0	0	0	111.9	P345 L346 V347 S353	P345-T349 PolarHBondContact O-N 3.27Å; L346-T349 PolarHBondContact O-OG1 3.48Å; L346-T349 VanDerWaalsContact O-OG1 3.14Å; V347-T349 PolarHBondContact O-N 3.39Å; T349-S353 PolarHBondContact O-N 3.03Å; T349-S353 PolarHBondContact O-OG 3.4Å
350	F	90.8	Very high	86.8	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-65.6	-50.3	175.9	172.9	-113.1	0	0	0	112.6	I332 E335 V336 L346 V347 R352 S353 V354 V368 L380	I332-F350 HydrophobicContact CG2-CE1 3.8Å; I332-F350 HydrophobicContact CG2-CZ 4.11Å; E335-F350 HydrophobicContact CB-CE1 4.11Å; E335-F350 HydrophobicContact CB-CZ 3.88Å; E335-F350 HydrophobicContact CG-CD1 4.37Å; E335-F350 HydrophobicContact CG-CD2 4.25Å; E335-F350 HydrophobicContact CG-CE1 3.77Å; E335-F350 HydrophobicContact CG-CE2 3.63Å; E335-F350 HydrophobicContact CG-CZ 3.36Å; V336-F350 HydrophobicContact CG2-CD1 3.96Å; V336-F350 HydrophobicContact CG2-CE1 3.92Å; L346-F350 WeakPolarHBondContact O-CB 3.17Å; L346-F350 PolarHBondContact O-N 3.06Å; L346-F350 VanDerWaalsContact O-N 3.07Å; V347-F350 PolarHBondContact O-N 2.84Å; F350-R352 PolarHBondContact O-N 3.46Å; F350-S353 PolarHBondContact O-N 3.15Å; F350-V354 HydrophobicContact CD1-CG2 4.21Å; F350-V354 HydrophobicContact CD2-CG2 4.02Å; F350-V354 HydrophobicContact CE1-CG2 3.8Å; F350-V354 HydrophobicContact CE2-CG2 3.58Å; F350-V354 HydrophobicContact CG-CG2 4.31Å; F350-V354 HydrophobicContact CZ-CG2 3.44Å; F350-V354 VanDerWaalsContact CZ-CG2 3.44Å; F350-V354 WeakPolarHBondContact O-CG2 3.48Å; F350-V354 PolarHBondContact O-N 2.9Å; F350-V368 HydrophobicContact CE2-CG1 4.32Å; F350-L380 HydrophobicContact CE2-CD2 3.93Å; F350-L380 HydrophobicContact CZ-CD2 3.59Å
351	M	91	Very high	86.3	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-62.6	-26.6	-179.3	-66.6	-50.1	-63.2	0	0	112.9	F217 F220 F242 I319 I332 V336 V347 M355	F217-M351 HydrophobicContact CD1-CE 4.32Å; F217-M351 HydrophobicContact CE1-CE 3.64Å; F217-M351 HydrophobicContact CE2-CE 4.18Å; F217-M351 HydrophobicContact CZ-CB 4.48Å; F217-M351 HydrophobicContact CZ-CE 3.55Å; F220-M351 HydrophobicContact CB-CE 4.04Å; F220-M351 HydrophobicContact CD1-CG 3.91Å; F220-M351 HydrophobicContact CD2-CE 3.85Å; F220-M351 HydrophobicContact CD2-CG 4.47Å; F220-M351 HydrophobicContact CD2-SD 4.39Å; F220-M351 HydrophobicContact CE1-CG 3.97Å; F220-M351 HydrophobicContact CE2-CE 4.4Å; F220-M351 HydrophobicContact CE2-CG 4.5Å; F220-M351 HydrophobicContact CE2-SD 4.4Å; F220-M351 HydrophobicContact CG-CE 3.95Å; F220-M351 HydrophobicContact CG-CG 4.15Å; F220-M351 HydrophobicContact CZ-CG 4.24Å; F242-M351 HydrophobicContact CD1-CB 3.9Å; F242-M351 HydrophobicContact CE1-CB 4.14Å; F242-M351 WeakPolarHBondContact CE1-O 3.45Å; F242-M351 HydrophobicContact CG-CB 4.48Å; I319-M351 HydrophobicContact CD1-CE 4.02Å; I319-M351 HydrophobicContact CG1-CE 4.06Å; I332-M351 HydrophobicContact CG2-CE 4.19Å; I332-M351 HydrophobicContact CG2-SD 4.01Å; V336-M351 HydrophobicContact CG2-CG 4.34Å; V336-M351 HydrophobicContact CG2-SD 3.51Å; V336-M351 VanDerWaalsContact CG2-SD 3.51Å; V347-M351 HydrophobicContact CG1-CG 4.16Å; V347-M351 WeakPolarHBondContact O-CG 3.42Å; V347-M351 PolarHBondContact O-N 3.26Å; M351-M355 WeakPolarHBondContact O-CB 3.44Å; M351-M355 PolarHBondContact O-N 3.2Å
352	R	88.6	Confident	85.7	Confident	112 Å²	112	47.8 Å²	47.8	42%	0.423	27%	0.267	S	S	.	.	H	α-helix	trans	-63.5	-54.2	166.8	175.4	-179.9	-72.8	160.7	-7.8	111.8	F242 Y348 F350 V354 M355 E356	F242-R352 HydrophobicContact CE2-CB 4.37Å; F242-R352 HydrophobicContact CZ-CB 3.94Å; Y348-R352 PolarHBondContact O-N 2.92Å; F350-R352 PolarHBondContact O-N 3.46Å; R352-V354 PolarHBondContact O-N 3.41Å; R352-M355 PolarHBondContact O-N 2.98Å; R352-E356 VanDerWaalsContact CD-OE1 3.28Å; R352-E356 WeakPolarHBondContact CD-OE1 3.07Å; R352-E356 VanDerWaalsContact CG-CD 3.47Å; R352-E356 HydrophobicContact CG-CG 4.34Å; R352-E356 WeakPolarHBondContact CG-OE1 3.48Å; R352-E356 WeakPolarHBondContact O-CG 3.27Å; R352-E356 PolarHBondContact O-N 2.95Å
353	S	88.7	Confident	85.1	Confident	34 Å²	34	45.4 Å²	45.4	24%	0.238	26%	0.264	C	S	.	.	H	α-helix	trans	-59.9	-30.3	178.5	-55.6	0	0	0	0	113.1	T349 F350 A357	T349-S353 PolarHBondContact O-N 3.03Å; T349-S353 PolarHBondContact O-OG 3.4Å; F350-S353 PolarHBondContact O-N 3.15Å; S353-A357 PolarHBondContact O-N 2.8Å
354	V	89.2	Confident	84.8	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-70.5	-42.7	172.3	175.9	0	0	0	0	111.2	L216 F217 I332 F350 R352 E356 A357 V368	L216-V354 HydrophobicContact CD1-CG1 3.7Å; L216-V354 WeakPolarHBondContact CD1-O 3.47Å; F217-V354 HydrophobicContact CD1-CG1 4.15Å; F217-V354 HydrophobicContact CE1-CB 4.25Å; F217-V354 HydrophobicContact CE1-CG1 3.78Å; I332-V354 HydrophobicContact CD1-CG1 3.79Å; I332-V354 HydrophobicContact CG1-CG1 4.41Å; I332-V354 HydrophobicContact CG2-CG1 4.14Å; I332-V354 HydrophobicContact CG2-CG2 4.27Å; F350-V354 HydrophobicContact CD1-CG2 4.21Å; F350-V354 HydrophobicContact CD2-CG2 4.02Å; F350-V354 HydrophobicContact CE1-CG2 3.8Å; F350-V354 HydrophobicContact CE2-CG2 3.58Å; F350-V354 HydrophobicContact CG-CG2 4.31Å; F350-V354 HydrophobicContact CZ-CG2 3.44Å; F350-V354 VanDerWaalsContact CZ-CG2 3.44Å; F350-V354 WeakPolarHBondContact O-CG2 3.48Å; F350-V354 PolarHBondContact O-N 2.9Å; R352-V354 PolarHBondContact O-N 3.41Å; V354-E356 VanDerWaalsContact C-N 3.32Å; V354-E356 PolarHBondContact O-N 2.93Å; V354-A357 WeakPolarHBondContact O-CB 3.36Å; V354-A357 PolarHBondContact O-N 3.48Å; V354-V368 HydrophobicContact CG2-CG1 4.02Å
355	M	85.8	Confident	84.7	Confident	44 Å²	44	50.9 Å²	50.9	22%	0.217	28%	0.277	C	S	.	.	H	α-helix	trans	-71	-26.6	178.9	-166.2	-178.5	73.9	0	0	113.3	F217 F242 P243 M351 R352	F217-M355 HydrophobicContact CE1-CB 3.82Å; F217-M355 HydrophobicContact CE1-CG 4.36Å; F217-M355 HydrophobicContact CZ-CB 3.84Å; F217-M355 HydrophobicContact CZ-CG 4.23Å; F242-M355 HydrophobicContact CE1-CB 4.1Å; F242-M355 HydrophobicContact CE1-CE 4.11Å; F242-M355 HydrophobicContact CE1-SD 3.69Å; F242-M355 HydrophobicContact CZ-CE 3.87Å; F242-M355 HydrophobicContact CZ-SD 4.08Å; P243-M355 HydrophobicContact CG-CE 4.16Å; P243-M355 HydrophobicContact CG-SD 3.68Å; M351-M355 WeakPolarHBondContact O-CB 3.44Å; M351-M355 PolarHBondContact O-N 3.2Å; R352-M355 PolarHBondContact O-N 2.98Å
356	E	84.3	Confident	84.6	Confident	131 Å²	131	47.9 Å²	47.9	61%	0.612	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-11.2	174.2	-70.5	165.5	-178.6	0	0	113	R352 V354	R352-E356 VanDerWaalsContact CD-OE1 3.28Å; R352-E356 WeakPolarHBondContact CD-OE1 3.07Å; R352-E356 VanDerWaalsContact CG-CD 3.47Å; R352-E356 HydrophobicContact CG-CG 4.34Å; R352-E356 WeakPolarHBondContact CG-OE1 3.48Å; R352-E356 WeakPolarHBondContact O-CG 3.27Å; R352-E356 PolarHBondContact O-N 2.95Å; V354-E356 VanDerWaalsContact C-N 3.32Å; V354-E356 PolarHBondContact O-N 2.93Å
357	A	84.4	Confident	84.4	Confident	10 Å²	10	50.4 Å²	50.4	8%	0.083	27%	0.274	C	S	.	.	S	Bend	trans	-82.3	138.1	178.8	0	0	0	0	0	111.6	L216 S353 V354 V366 V368	L216-A357 HydrophobicContact CD1-CB 4.4Å; S353-A357 PolarHBondContact O-N 2.8Å; V354-A357 WeakPolarHBondContact O-CB 3.36Å; V354-A357 PolarHBondContact O-N 3.48Å; A357-V366 HydrophobicContact CB-CG1 4.15Å; A357-V368 HydrophobicContact CB-CG2 3.86Å
358	P	82.4	Confident	84.1	Confident	69 Å²	69	50.4 Å²	50.4	45%	0.448	27%	0.274	S	S	.	.	B	Isolated β-bridge	trans	-67.8	148.5	178	29.4	-35.5	0	0	0	111.1	V366	P358-V366 HydrophobicContact CG-CG1 4.18Å; P358-V366 HydrophobicContact CG-CG2 4.21Å
359	F	79.6	Confident	83.7	Confident	31 Å²	31	53.9 Å²	53.9	14%	0.136	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-68.5	128.5	171.2	-174.9	-96.4	0	0	0	111.6	Q210 Q214 L216 L323	Q210-F359 HydrophobicContact CG-CD1 4.42Å; Q214-F359 PolarHBondContact O-N 3.47Å; L216-F359 HydrophobicContact CD2-CB 3.89Å; L216-F359 HydrophobicContact CD2-CD2 3.61Å; L216-F359 HydrophobicContact CD2-CG 4.21Å; L323-F359 HydrophobicContact CB-CE2 4.3Å; L323-F359 HydrophobicContact CD1-CD2 3.33Å; L323-F359 HydrophobicContact CD1-CE2 3.63Å; L323-F359 HydrophobicContact CD1-CG 3.97Å; L323-F359 HydrophobicContact CD1-CZ 4.45Å; L323-F359 HydrophobicContact CG-CD2 4.09Å; L323-F359 HydrophobicContact CG-CE2 3.93Å; L323-F359 HydrophobicContact CG-CZ 4.35Å
360	P	80.1	Confident	83	Confident	2 Å²	2	51.2 Å²	51.2	1%	0.013	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-63.5	139	-179.7	22.6	-32.9	0	0	0	113.4	L328 V366 R384	L328-P360 HydrophobicContact CD1-CG 3.82Å; P360-V366 HydrophobicContact CB-CG2 3.91Å; P360-R384 HydrophobicContact CB-CB 3.85Å; P360-R384 HydrophobicContact CG-CB 3.81Å; P360-R384 WeakPolarHBondContact O-CD 3.31Å; P360-R384 PolarHBondContact O-NH1 2.96Å
361	A	78.8	Confident	82.2	Confident	53 Å²	53	56.9 Å²	56.9	44%	0.438	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-68.4	159.1	163.3	0	0	0	0	0	110.8	G363 R364	A361-G363 PolarHBondContact O-N 3.02Å; A361-R364 HydrophobicContact CB-CB 4.27Å; A361-R364 HydrophobicContact CB-CG 3.88Å; A361-R364 WeakPolarHBondContact O-CB 3.22Å; A361-R364 PolarHBondContact O-N 2.97Å
362	P	75.3	Confident	81.5	Confident	62 Å²	62	57 Å²	57	40%	0.403	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	139.2	179.3	-18.8	31	0	0	0	111.3	R364 R384 P385 V386	P362-R364 PolarHBondContact O-N 2.82Å; P362-R384 VanDerWaalsContact CD-NH1 3.34Å; P362-P385 WeakPolarHBondContact CA-O 3.26Å; P362-V386 WeakPolarHBondContact CB-O 3.33Å
363	G	74.5	Confident	80.6	Confident	36 Å²	36	54.9 Å²	54.9	37%	0.371	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.4	3.4	-175.6	0	0	0	0	0	115.2	A361 R384 P385	A361-G363 PolarHBondContact O-N 3.02Å; G363-R384 VanDerWaalsContact CA-O 3.3Å; G363-R384 WeakPolarHBondContact CA-O 3.4Å; G363-R384 PolarHBondContact N-O 3.25Å; G363-R384 VanDerWaalsContact N-O 3.11Å; G363-P385 PolarHBondContact N-O 3.18Å
364	R	80	Confident	79.7	Confident	152 Å²	152	57.4 Å²	57.4	57%	0.574	33%	0.332	S	S	*	.			trans	-103.2	162.4	177.5	-55.1	-57.2	-176.2	124.1	3.8	111.1	A361 P362 R384	A361-R364 HydrophobicContact CB-CB 4.27Å; A361-R364 HydrophobicContact CB-CG 3.88Å; A361-R364 WeakPolarHBondContact O-CB 3.22Å; A361-R364 PolarHBondContact O-N 2.97Å; P362-R364 PolarHBondContact O-N 2.82Å; R364-R384 PolarHBondContact O-N 3.13Å
365	T	83.5	Confident	78.9	Confident	71 Å²	71	60.9 Å²	60.9	44%	0.436	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	133.6	-176.6	-71.7	0	0	0	0	110.2	T381 L382 C383	T365-T381 HydrophobicContact CG2-CG2 3.34Å; T365-L382 WeakPolarHBondContact CA-O 3.4Å; T365-C383 WeakPolarHBondContact OG1-CB 3.4Å; T365-C383 PolarHBondContact OG1-SG 2.93Å; T365-C383 VanDerWaalsContact OG1-SG 3.41Å
366	V	84.1	Confident	78.5	Confident	24 Å²	24	59.9 Å²	59.9	15%	0.145	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	141.8	174.3	169.8	0	0	0	0	109.1	A357 P358 P360 L382	A357-V366 HydrophobicContact CB-CG1 4.15Å; P358-V366 HydrophobicContact CG-CG1 4.18Å; P358-V366 HydrophobicContact CG-CG2 4.21Å; P360-V366 HydrophobicContact CB-CG2 3.91Å; V366-L382 PolarHBondContact N-O 3.38Å; V366-L382 PolarHBondContact O-N 3.22Å
367	T	84.8	Confident	78.1	Confident	76 Å²	76	60 Å²	60	47%	0.466	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	112.2	-178	47.2	0	0	0	0	111.1	K369 V379 L380	T367-K369 PolarHBondContact O-N 2.87Å; T367-V379 HydrophobicContact CG2-CG1 3.83Å; T367-L380 WeakPolarHBondContact CA-O 3.3Å
368	V	84.1	Confident	77.9	Confident	5 Å²	5	61.7 Å²	61.7	3%	0.03	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	101.5	173.7	-173.4	0	0	0	0	108.1	F350 V354 A357 L380 L382	F350-V368 HydrophobicContact CE2-CG1 4.32Å; V354-V368 HydrophobicContact CG2-CG1 4.02Å; A357-V368 HydrophobicContact CB-CG2 3.86Å; V368-L380 HydrophobicContact CB-CB 4.34Å; V368-L380 PolarHBondContact N-O 3.41Å; V368-L380 PolarHBondContact O-N 3.43Å; V368-L382 HydrophobicContact CG2-CD1 3.74Å; V368-L382 HydrophobicContact CG2-CG 4.29Å
369	K	80.1	Confident	77.9	Confident	155 Å²	155	62 Å²	62	67%	0.674	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.6	126.4	172.5	-62.2	178	-178	173.6	0	108.7	T367 V379	T367-K369 PolarHBondContact O-N 2.87Å; K369-V379 HydrophobicContact CG-CG1 4.49Å; K369-V379 HydrophobicContact CG-CG2 4.27Å
370	S	73.6	Confident	78.2	Confident	8 Å²	8	62.1 Å²	62.1	6%	0.056	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	129.5	176.7	-159	0	0	0	0	112	R339 E378	R339-S370 PolarHBondContact NH1-OG 3.42Å; R339-S370 PolarHBondContact NH2-O 2.86Å; S370-E378 PolarHBondContact N-O 3.5Å; S370-E378 PolarHBondContact O-N 2.99Å
371	F	74	Confident	78.5	Confident	119 Å²	119	65.7 Å²	65.7	52%	0.522	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	141.5	-179.9	-177.9	-98.7	0	0	0	111.4	R339 P373 G376	R339-F371 PolarHBondContact NH1-O 2.88Å; F371-P373 HydrophobicContact CE1-CG 4.17Å; F371-G376 CarbonylContact C-O 3.59Å; F371-G376 WeakPolarHBondContact CA-O 3.36Å
372	L	75.6	Confident	78.7	Confident	3 Å²	3	63.2 Å²	63.2	2%	0.016	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	125.8	171	-162.4	91.1	0	0	0	109.6	R339 I342 L346 G374 S375 G376 E378	R339-L372 HydrophobicContact CG-CD1 3.78Å; I342-L372 HydrophobicContact CD1-CD1 4.02Å; I342-L372 HydrophobicContact CD1-CD2 3.69Å; I342-L372 HydrophobicContact CD1-CG 4.14Å; L346-L372 HydrophobicContact CD1-CD1 4.32Å; L372-G374 PolarHBondContact O-N 3.43Å; L372-S375 WeakPolarHBondContact CD2-OG 3.38Å; L372-S375 PolarHBondContact O-N 2.98Å; L372-G376 PolarHBondContact N-O 3.1Å; L372-G376 PolarHBondContact O-N 3.3Å; L372-E378 VanDerWaalsContact CB-OE2 3.23Å; L372-E378 WeakPolarHBondContact CB-OE2 3.39Å; L372-E378 WeakPolarHBondContact CD2-OE2 3.44Å
373	P	69.8	Low	79	Confident	67 Å²	67	63.2 Å²	63.2	44%	0.435	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	129.5	171.1	-23.9	34.1	0	0	0	111.1	L346 F371	L346-P373 HydrophobicContact CD1-CG 4.16Å; L346-P373 HydrophobicContact CD2-CG 3.92Å; F371-P373 HydrophobicContact CE1-CG 4.17Å
374	G	69.7	Low	79.3	Confident	88 Å²	88	62.9 Å²	62.9	91%	0.907	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.4	-57.6	-174.9	0	0	0	0	0	113.2	L372	L372-G374 PolarHBondContact O-N 3.43Å
375	S	73	Confident	79.1	Confident	73 Å²	73	58 Å²	58	51%	0.51	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-26.7	-179.4	-54.3	0	0	0	0	114.6	L372 E378	L372-S375 WeakPolarHBondContact CD2-OG 3.38Å; L372-S375 PolarHBondContact O-N 2.98Å; S375-E378 VanDerWaalsContact CB-CD 3.49Å; S375-E378 WeakPolarHBondContact CB-OE1 3.36Å; S375-E378 PolarHBondContact OG-OE1 3.35Å
376	G	77.2	Confident	78.5	Confident	23 Å²	23	60.4 Å²	60.4	24%	0.237	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	89.1	-138	-173.6	0	0	0	0	0	112.9	F371 L372 E378	F371-G376 CarbonylContact C-O 3.59Å; F371-G376 WeakPolarHBondContact CA-O 3.36Å; L372-G376 PolarHBondContact N-O 3.1Å; L372-G376 PolarHBondContact O-N 3.3Å; G376-E378 PolarHBondContact O-N 3.46Å
377	N	76.3	Confident	78.1	Confident	134 Å²	134	61.3 Å²	61.3	72%	0.717	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.5	98	178.8	-79.3	-18	0	0	0	110.7
378	E	79	Confident	77.5	Confident	45 Å²	45	60.3 Å²	60.3	21%	0.21	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	157.9	170.5	-67.8	169.2	153.2	0	0	110.7	R338 R339 S370 L372 S375 G376	R338-E378 IonicContact CZ-OE1 3.65Å; R338-E378 IonicContact CZ-OE2 2.78Å; R338-E378 IonicContact NH1-OE1 2.74Å; R338-E378 PolarHBondContact NH1-OE1 2.84Å; R338-E378 IonicContact NH1-OE2 3.87Å; R338-E378 PolarHBondContact NH1-OE2 3.31Å; R338-E378 IonicContact NH2-OE1 2.48Å; R338-E378 IonicContact NH2-OE2 3.17Å; R338-E378 PolarHBondContact NH2-OE2 2.91Å; R339-E378 IonicContact NH2-OE2 2.82Å; S370-E378 PolarHBondContact N-O 3.5Å; S370-E378 PolarHBondContact O-N 2.99Å; L372-E378 VanDerWaalsContact CB-OE2 3.23Å; L372-E378 WeakPolarHBondContact CB-OE2 3.39Å; L372-E378 WeakPolarHBondContact CD2-OE2 3.44Å; S375-E378 VanDerWaalsContact CB-CD 3.49Å; S375-E378 WeakPolarHBondContact CB-OE1 3.36Å; S375-E378 PolarHBondContact OG-OE1 3.35Å; G376-E378 PolarHBondContact O-N 3.46Å
379	V	82.8	Confident	77.2	Confident	76 Å²	76	62.4 Å²	62.4	46%	0.461	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	111.6	-177.7	-173.3	0	0	0	0	108.9	T367 K369	T367-V379 HydrophobicContact CG2-CG1 3.83Å; K369-V379 HydrophobicContact CG-CG1 4.49Å; K369-V379 HydrophobicContact CG-CG2 4.27Å
380	L	85.4	Confident	77.1	Confident	33 Å²	33	55.8 Å²	55.8	17%	0.173	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	126.6	172.3	177.7	64.2	0	0	0	109.6	I332 E335 F350 T367 V368 L382	I332-L380 HydrophobicContact CG1-CD2 4.21Å; E335-L380 HydrophobicContact CB-CD2 4.26Å; E335-L380 HydrophobicContact CG-CD2 4.26Å; F350-L380 HydrophobicContact CE2-CD2 3.93Å; F350-L380 HydrophobicContact CZ-CD2 3.59Å; T367-L380 WeakPolarHBondContact CA-O 3.3Å; V368-L380 HydrophobicContact CB-CB 4.34Å; V368-L380 PolarHBondContact N-O 3.41Å; V368-L380 PolarHBondContact O-N 3.43Å; L380-L382 HydrophobicContact CD1-CD2 4.48Å; L380-L382 HydrophobicContact CD2-CD2 3.83Å; L380-L382 HydrophobicContact CD2-CG 4.48Å; L380-L382 HydrophobicContact CG-CD2 3.87Å; L380-L382 HydrophobicContact CG-CG 4.36Å
381	T	86.4	Confident	77.1	Confident	77 Å²	77	55.8 Å²	55.8	47%	0.472	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	102.7	-174.7	-58.2	0	0	0	0	110.2	T365	T365-T381 HydrophobicContact CG2-CG2 3.34Å
382	L	84	Confident	77.1	Confident	1 Å²	1	51.4 Å²	51.4	1%	0.005	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	95.9	179.4	-58.2	-177.3	0	0	0	109.7	L216 L328 I332 T365 V366 V368 L380	L216-L382 HydrophobicContact CD1-CD1 3.85Å; L328-L382 HydrophobicContact CD1-CB 4.19Å; L328-L382 HydrophobicContact CD2-CD1 4.5Å; L328-L382 HydrophobicContact CG-CB 4.42Å; L328-L382 HydrophobicContact CG-CD1 4.44Å; L328-L382 HydrophobicContact CG-CD2 4.36Å; I332-L382 HydrophobicContact CD1-CD1 3.99Å; I332-L382 HydrophobicContact CD1-CD2 4.33Å; I332-L382 HydrophobicContact CG1-CD1 4.25Å; I332-L382 HydrophobicContact CG1-CD2 3.88Å; T365-L382 WeakPolarHBondContact CA-O 3.4Å; V366-L382 PolarHBondContact N-O 3.38Å; V366-L382 PolarHBondContact O-N 3.22Å; V368-L382 HydrophobicContact CG2-CD1 3.74Å; V368-L382 HydrophobicContact CG2-CG 4.29Å; L380-L382 HydrophobicContact CD1-CD2 4.48Å; L380-L382 HydrophobicContact CD2-CD2 3.83Å; L380-L382 HydrophobicContact CD2-CG 4.48Å; L380-L382 HydrophobicContact CG-CD2 3.87Å; L380-L382 HydrophobicContact CG-CG 4.36Å
383	C	80.8	Confident	77.4	Confident	62 Å²	62	51.8 Å²	51.8	42%	0.419	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	135.5	173.3	-176	0	0	0	0	110.7	T365	T365-C383 WeakPolarHBondContact OG1-CB 3.4Å; T365-C383 PolarHBondContact OG1-SG 2.93Å; T365-C383 VanDerWaalsContact OG1-SG 3.41Å
384	R	81.3	Confident	78.2	Confident	28 Å²	28	50 Å²	50	11%	0.106	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-100.2	132.1	168	-170.9	174.5	-179.6	-149.6	-6.4	109.1	P360 P362 G363 R364 S388 E391	P360-R384 HydrophobicContact CB-CB 3.85Å; P360-R384 HydrophobicContact CG-CB 3.81Å; P360-R384 WeakPolarHBondContact O-CD 3.31Å; P360-R384 PolarHBondContact O-NH1 2.96Å; P362-R384 VanDerWaalsContact CD-NH1 3.34Å; G363-R384 VanDerWaalsContact CA-O 3.3Å; G363-R384 WeakPolarHBondContact CA-O 3.4Å; G363-R384 PolarHBondContact N-O 3.25Å; G363-R384 VanDerWaalsContact N-O 3.11Å; R364-R384 PolarHBondContact O-N 3.13Å; R384-S388 VanDerWaalsContact NH2-CB 3.27Å; R384-E391 HydrophobicContact CG-CG 4.2Å; R384-E391 IonicContact CZ-OE1 2.74Å; R384-E391 IonicContact NE-OE1 3.68Å; R384-E391 PolarHBondContact NE-OE1 3.14Å; R384-E391 IonicContact NE-OE2 2.95Å; R384-E391 PolarHBondContact NE-OE2 2.79Å; R384-E391 IonicContact NH2-OE1 3.21Å; R384-E391 PolarHBondContact NH2-OE1 2.69Å; R384-E391 IonicContact NH2-OE2 3.75Å
385	P	75.9	Confident	79.3	Confident	50 Å²	50	46 Å²	46	33%	0.325	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-50.9	155	172.4	-27.6	35.9	0	0	0	112.9	P362 G363 D387 E391	P362-P385 WeakPolarHBondContact CA-O 3.26Å; G363-P385 PolarHBondContact N-O 3.18Å; P385-D387 VanDerWaalsContact C-N 3.32Å; P385-D387 WeakPolarHBondContact CB-O 3.2Å; P385-E391 HydrophobicContact CG-CG 4.27Å
386	V	71.3	Confident	80.2	Confident	122 Å²	122	46.1 Å²	46.1	74%	0.739	26%	0.264	S	S	*	.	S	Bend	trans	-63.5	-43.8	172.9	-178.2	0	0	0	0	109.9	P362	P362-V386 WeakPolarHBondContact CB-O 3.33Å
387	D	74.6	Confident	80.9	Confident	42 Å²	42	45.9 Å²	45.9	23%	0.225	26%	0.259	C	S	.	.	S	Bend	trans	-90.5	108.1	172.2	178.1	16.5	0	0	0	111.2	P385 R389 L390	P385-D387 VanDerWaalsContact C-N 3.32Å; P385-D387 WeakPolarHBondContact CB-O 3.2Å; D387-R389 PolarHBondContact O-N 3.41Å; D387-R389 VanDerWaalsContact OD1-CB 3.31Å; D387-R389 WeakPolarHBondContact OD1-CB 3.31Å; D387-R389 VanDerWaalsContact OD1-CG 3.26Å; D387-R389 WeakPolarHBondContact OD1-CG 3.48Å; D387-R389 IonicContact OD1-CZ 3.31Å; D387-R389 PolarHBondContact OD1-N 3.09Å; D387-R389 IonicContact OD1-NE 3.98Å; D387-R389 PolarHBondContact OD1-NE 3.01Å; D387-R389 IonicContact OD1-NH2 3.87Å; D387-R389 IonicContact OD2-CZ 2.84Å; D387-R389 VanDerWaalsContact OD2-CZ 3.27Å; D387-R389 IonicContact OD2-NE 3.67Å; D387-R389 PolarHBondContact OD2-NE 3.11Å; D387-R389 IonicContact OD2-NH2 2.68Å; D387-R389 PolarHBondContact OD2-NH2 2.83Å; D387-L390 HydrophobicContact CB-CD1 4.44Å; D387-L390 PolarHBondContact O-N 2.6Å; D387-L390 WeakPolarHBondContact OD2-CD1 3.47Å; D387-L390 WeakPolarHBondContact OD2-CG 3.49Å
388	S	72.5	Confident	81.8	Confident	55 Å²	55	39.5 Å²	39.5	39%	0.385	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-63.9	-20.6	-179.6	48.8	0	0	0	0	114.4	R384 L390 E391	R384-S388 VanDerWaalsContact NH2-CB 3.27Å; S388-L390 PolarHBondContact O-N 3.47Å; S388-E391 WeakPolarHBondContact CA-OE1 3.3Å; S388-E391 WeakPolarHBondContact CB-OE1 3.3Å; S388-E391 WeakPolarHBondContact O-CB 3.48Å; S388-E391 WeakPolarHBondContact O-CG 3.34Å; S388-E391 PolarHBondContact O-N 3.22Å
389	R	78.1	Confident	82.6	Confident	50 Å²	50	38.9 Å²	38.9	19%	0.189	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-67.1	-22.1	-179.6	-55.5	171.7	-58.8	136.5	13.5	112.2	D387 V393 Y442 S548	D387-R389 PolarHBondContact O-N 3.41Å; D387-R389 VanDerWaalsContact OD1-CB 3.31Å; D387-R389 WeakPolarHBondContact OD1-CB 3.31Å; D387-R389 VanDerWaalsContact OD1-CG 3.26Å; D387-R389 WeakPolarHBondContact OD1-CG 3.48Å; D387-R389 IonicContact OD1-CZ 3.31Å; D387-R389 PolarHBondContact OD1-N 3.09Å; D387-R389 IonicContact OD1-NE 3.98Å; D387-R389 PolarHBondContact OD1-NE 3.01Å; D387-R389 IonicContact OD1-NH2 3.87Å; D387-R389 IonicContact OD2-CZ 2.84Å; D387-R389 VanDerWaalsContact OD2-CZ 3.27Å; D387-R389 IonicContact OD2-NE 3.67Å; D387-R389 PolarHBondContact OD2-NE 3.11Å; D387-R389 IonicContact OD2-NH2 2.68Å; D387-R389 PolarHBondContact OD2-NH2 2.83Å; R389-V393 WeakPolarHBondContact O-CG2 3.4Å; R389-Y442 VanDerWaalsContact CD-CD2 3.49Å; R389-Y442 HydrophobicContact CG-CD2 4.21Å; R389-Y442 HydrophobicContact CG-CE2 4.27Å; R389-S548 PolarHBondContact NH1-OG 3.22Å; R389-S548 PolarHBondContact NH2-OG 3.46Å
390	L	78.1	Confident	83.2	Confident	16 Å²	16	42.5 Å²	42.5	8%	0.084	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-101.1	3.3	-175.4	-58.8	176.9	0	0	0	113.7	D387 S388 H392 V393 F395	D387-L390 HydrophobicContact CB-CD1 4.44Å; D387-L390 PolarHBondContact O-N 2.6Å; D387-L390 WeakPolarHBondContact OD2-CD1 3.47Å; D387-L390 WeakPolarHBondContact OD2-CG 3.49Å; S388-L390 PolarHBondContact O-N 3.47Å; L390-H392 PolarHBondContact O-N 2.8Å; L390-V393 HydrophobicContact CD2-CB 4.23Å; L390-V393 HydrophobicContact CD2-CG1 4.27Å; L390-V393 HydrophobicContact CD2-CG2 4.25Å; L390-V393 PolarHBondContact O-N 3.44Å; L390-F395 HydrophobicContact CD2-CE2 3.89Å; L390-F395 HydrophobicContact CD2-CZ 4.44Å
391	E	74.4	Confident	83.7	Confident	8 Å²	8	42 Å²	42	4%	0.037	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-22.7	175.8	-78.6	173	-127.4	0	0	114.7	G324 C325 F326 N327 R384 P385 S388	G324-E391 VanDerWaalsContact O-CB 3.29Å; G324-E391 WeakPolarHBondContact O-CB 3.41Å; C325-E391 PolarHBondContact SG-OE2 2.92Å; F326-E391 PolarHBondContact N-O 2.94Å; N327-E391 PolarHBondContact N-O 3.15Å; R384-E391 HydrophobicContact CG-CG 4.2Å; R384-E391 IonicContact CZ-OE1 2.74Å; R384-E391 IonicContact NE-OE1 3.68Å; R384-E391 PolarHBondContact NE-OE1 3.14Å; R384-E391 IonicContact NE-OE2 2.95Å; R384-E391 PolarHBondContact NE-OE2 2.79Å; R384-E391 IonicContact NH2-OE1 3.21Å; R384-E391 PolarHBondContact NH2-OE1 2.69Å; R384-E391 IonicContact NH2-OE2 3.75Å; P385-E391 HydrophobicContact CG-CG 4.27Å; S388-E391 WeakPolarHBondContact CA-OE1 3.3Å; S388-E391 WeakPolarHBondContact CB-OE1 3.3Å; S388-E391 WeakPolarHBondContact O-CB 3.48Å; S388-E391 WeakPolarHBondContact O-CG 3.34Å; S388-E391 PolarHBondContact O-N 3.22Å
392	H	72.7	Confident	84.3	Confident	27 Å²	27	38.4 Å²	38.4	13%	0.125	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.4	-4.9	-167.4	-117.8	-43.9	0	0	0	114.4	F298 Y300 G324 F326 L390 H435	F298-H392 AromaticContact CD1-NE2 3.39Å; F298-H392 WeakPolarHBondContact CD1-NE2 3.45Å; F298-H392 AromaticContact CG-NE2 3.96Å; Y300-H392 AromaticContact CE1-NE2 3.07Å; Y300-H392 WeakPolarHBondContact CE1-NE2 3.07Å; Y300-H392 AromaticContact CZ-NE2 3.34Å; Y300-H392 VanDerWaalsContact CZ-NE2 3.34Å; Y300-H392 PolarHBondContact OH-NE2 2.75Å; G324-H392 WeakPolarHBondContact CA-CD2 3.41Å; G324-H392 PolarHBondContact O-CD2 2.96Å; F326-H392 WeakPolarHBondContact CB-CE1 3.45Å; F326-H392 AromaticContact CG-CE1 3.8Å; L390-H392 PolarHBondContact O-N 2.8Å; H392-H435 AromaticContact CE1-CD2 3.84Å; H392-H435 AromaticContact CE1-CE1 3.88Å; H392-H435 AromaticContact CE1-CG 3.7Å; H392-H435 AromaticContact CE1-ND1 3.72Å; H392-H435 AromaticContact CE1-NE2 3.96Å; H392-H435 AromaticContact ND1-CE1 3.83Å; H392-H435 AromaticContact ND1-ND1 3.71Å; H392-H435 AromaticContact NE2-CE1 3.18Å; H392-H435 PolarHBondContact NE2-CE1 3.41Å; H392-H435 AromaticContact NE2-ND1 3.82Å; H392-H435 AromaticContact NE2-NE2 3.44Å; H392-H435 PolarHBondContact NE2-NE2 3.49Å
393	V	82.7	Confident	84.9	Confident	10 Å²	10	40.7 Å²	40.7	6%	0.061	23%	0.227	C	C	.	.			trans	-114.7	135	-146.9	-176.2	0	0	0	0	111.7	R389 L390 F395 A436 A439	R389-V393 WeakPolarHBondContact O-CG2 3.4Å; L390-V393 HydrophobicContact CD2-CB 4.23Å; L390-V393 HydrophobicContact CD2-CG1 4.27Å; L390-V393 HydrophobicContact CD2-CG2 4.25Å; L390-V393 PolarHBondContact O-N 3.44Å; V393-F395 HydrophobicContact CG1-CD1 3.84Å; V393-F395 HydrophobicContact CG1-CD2 3.45Å; V393-F395 VanDerWaalsContact CG1-CD2 3.45Å; V393-F395 HydrophobicContact CG1-CE1 3.63Å; V393-F395 HydrophobicContact CG1-CE2 3.32Å; V393-F395 HydrophobicContact CG1-CG 3.76Å; V393-F395 HydrophobicContact CG1-CZ 3.42Å; V393-F395 VanDerWaalsContact CG1-CZ 3.42Å; V393-A436 HydrophobicContact CG1-CB 4.33Å; V393-A439 HydrophobicContact CG1-CB 4.13Å; V393-A439 HydrophobicContact CG2-CB 3.52Å
394	D	86.3	Confident	85.7	Confident	31 Å²	31	38.4 Å²	38.4	17%	0.166	21%	0.212	C	C	.	.			trans	-138.2	79.9	179.6	-175	-29.7	0	0	0	107.5	D396 S397 R432	D394-D396 VanDerWaalsContact C-N 3.33Å; D394-S397 WeakPolarHBondContact OD1-CB 3.31Å; D394-S397 PolarHBondContact OD1-N 2.92Å; D394-S397 PolarHBondContact OD1-OG 3.48Å; D394-S397 PolarHBondContact OD2-OG 3.5Å; D394-S397 VanDerWaalsContact OD2-OG 3.07Å; D394-R432 HydrophobicContact CB-CB 4.17Å; D394-R432 HydrophobicContact CB-CG 4.13Å; D394-R432 VanDerWaalsContact OD2-CD 3.26Å; D394-R432 WeakPolarHBondContact OD2-CD 3.44Å; D394-R432 IonicContact OD2-CZ 3.62Å; D394-R432 IonicContact OD2-NE 2.72Å; D394-R432 IonicContact OD2-NH1 3.88Å; D394-R432 PolarHBondContact OD2-NH1 2.89Å
395	F	92.1	Very high	86.4	Confident	3 Å²	3	38.4 Å²	38.4	1%	0.013	22%	0.22	C	C	.	.	H	α-helix	trans	-75.4	-23.9	179.5	-63.3	-64.6	0	0	0	112.7	L390 V393 S397 L398 L399 A436 A439 L440 L547	L390-F395 HydrophobicContact CD2-CE2 3.89Å; L390-F395 HydrophobicContact CD2-CZ 4.44Å; V393-F395 HydrophobicContact CG1-CD1 3.84Å; V393-F395 HydrophobicContact CG1-CD2 3.45Å; V393-F395 VanDerWaalsContact CG1-CD2 3.45Å; V393-F395 HydrophobicContact CG1-CE1 3.63Å; V393-F395 HydrophobicContact CG1-CE2 3.32Å; V393-F395 HydrophobicContact CG1-CG 3.76Å; V393-F395 HydrophobicContact CG1-CZ 3.42Å; V393-F395 VanDerWaalsContact CG1-CZ 3.42Å; F395-S397 VanDerWaalsContact C-N 3.31Å; F395-S397 PolarHBondContact O-N 3.13Å; F395-L398 HydrophobicContact CD1-CD2 4.32Å; F395-L398 PolarHBondContact O-N 2.96Å; F395-L398 VanDerWaalsContact O-N 3.16Å; F395-L399 WeakPolarHBondContact O-CB 3.09Å; F395-L399 PolarHBondContact O-N 3.47Å; F395-A436 HydrophobicContact CD1-CB 3.9Å; F395-A436 HydrophobicContact CE1-CB 4.34Å; F395-A436 WeakPolarHBondContact CE1-O 3.3Å; F395-A439 HydrophobicContact CE1-CB 4.34Å; F395-A439 HydrophobicContact CZ-CB 4.19Å; F395-L440 HydrophobicContact CD1-CD2 4.01Å; F395-L440 HydrophobicContact CE1-CD2 3.24Å; F395-L440 HydrophobicContact CE1-CG 3.8Å; F395-L440 HydrophobicContact CZ-CD2 3.74Å; F395-L547 HydrophobicContact CB-CD1 3.27Å; F395-L547 HydrophobicContact CD1-CD1 4.26Å; F395-L547 HydrophobicContact CD2-CB 4.07Å; F395-L547 HydrophobicContact CD2-CD1 3.65Å; F395-L547 HydrophobicContact CE2-CB 4.01Å; F395-L547 HydrophobicContact CE2-CD1 4.41Å; F395-L547 HydrophobicContact CG-CD1 3.51Å
396	D	91.4	Very high	87.5	Confident	76 Å²	76	38.9 Å²	38.9	41%	0.406	22%	0.217	S	C	.	.	H	α-helix	trans	-55	-48.7	171.3	-76.1	-86.6	0	0	0	110.6	D394 L398 L399 Q400 L543	D394-D396 VanDerWaalsContact C-N 3.33Å; D396-L398 VanDerWaalsContact C-N 3.32Å; D396-L398 PolarHBondContact O-N 3.29Å; D396-L399 PolarHBondContact O-N 3.45Å; D396-Q400 WeakPolarHBondContact O-CB 3.5Å; D396-Q400 WeakPolarHBondContact O-CG 3.41Å; D396-Q400 PolarHBondContact O-N 2.89Å; D396-Q400 PolarHBondContact O-NE2 2.94Å; D396-L543 WeakPolarHBondContact OD1-CD2 3.4Å
397	S	92.1	Very high	88.7	Confident	17 Å²	17	33.3 Å²	33.3	12%	0.119	18%	0.183	C	C	.	.	H	α-helix	trans	-62.7	-38.2	176.1	-60.3	0	0	0	0	112.2	D394 F395 Q400 C401 R432	D394-S397 WeakPolarHBondContact OD1-CB 3.31Å; D394-S397 PolarHBondContact OD1-N 2.92Å; D394-S397 PolarHBondContact OD1-OG 3.48Å; D394-S397 PolarHBondContact OD2-OG 3.5Å; D394-S397 VanDerWaalsContact OD2-OG 3.07Å; F395-S397 VanDerWaalsContact C-N 3.31Å; F395-S397 PolarHBondContact O-N 3.13Å; S397-Q400 PolarHBondContact O-N 2.78Å; S397-C401 PolarHBondContact O-N 3Å; S397-C401 PolarHBondContact O-SG 3.25Å; S397-R432 WeakPolarHBondContact OG-CD 3.42Å
398	L	95.6	Very high	89.9	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-66.3	-44.3	178.6	-175.8	62.3	0	0	0	112	F395 D396 Q400 C401 L402 L407 C433 A436 V437 L440	F395-L398 HydrophobicContact CD1-CD2 4.32Å; F395-L398 PolarHBondContact O-N 2.96Å; F395-L398 VanDerWaalsContact O-N 3.16Å; D396-L398 VanDerWaalsContact C-N 3.32Å; D396-L398 PolarHBondContact O-N 3.29Å; L398-Q400 VanDerWaalsContact C-N 3.34Å; L398-C401 PolarHBondContact O-N 3.22Å; L398-L402 HydrophobicContact CD1-CD1 4.13Å; L398-L402 PolarHBondContact O-N 3.21Å; L398-L407 HydrophobicContact CD1-CD1 4.23Å; L398-L407 HydrophobicContact CD2-CD1 3.64Å; L398-L407 HydrophobicContact CG-CD1 3.91Å; L398-C433 HydrophobicContact CD1-CB 3.84Å; L398-A436 HydrophobicContact CB-CB 4.1Å; L398-A436 HydrophobicContact CD2-CB 3.85Å; L398-V437 HydrophobicContact CD2-CB 4.21Å; L398-L440 HydrophobicContact CD2-CD1 4.2Å
399	L	95.7	Very high	91.1	Very high	33 Å²	33	30.7 Å²	30.7	17%	0.173	16%	0.163	C	C	.	.	H	α-helix	trans	-76.3	-18.4	178.5	-71.7	168.3	0	0	0	113.5	F395 D396 L407 L543 L547	F395-L399 WeakPolarHBondContact O-CB 3.09Å; F395-L399 PolarHBondContact O-N 3.47Å; D396-L399 PolarHBondContact O-N 3.45Å; L399-L407 HydrophobicContact CD2-CD2 3.65Å; L399-L407 HydrophobicContact CG-CD2 4.47Å; L399-L543 HydrophobicContact CD1-CD2 4.24Å; L399-L547 HydrophobicContact CD1-CD1 3.81Å; L399-L547 HydrophobicContact CD1-CD2 4.33Å
400	Q	95.4	Very high	92	Very high	151 Å²	151	28.3 Å²	28.3	71%	0.706	15%	0.154	S	C	*	.	H	α-helix	trans	-77	-26.1	167.8	-74.4	166.6	40.9	0	0	112.5	D396 S397 L398	D396-Q400 WeakPolarHBondContact O-CB 3.5Å; D396-Q400 WeakPolarHBondContact O-CG 3.41Å; D396-Q400 PolarHBondContact O-N 2.89Å; D396-Q400 PolarHBondContact O-NE2 2.94Å; S397-Q400 PolarHBondContact O-N 2.78Å; L398-Q400 VanDerWaalsContact C-N 3.34Å
401	C	97.1	Very high	93	Very high	22 Å²	22	27.5 Å²	27.5	15%	0.149	15%	0.15	C	C	.	.	H	α-helix	trans	-96.2	-28.5	-179.6	-62.6	0	0	0	0	113.8	S397 L398 L493	S397-C401 PolarHBondContact O-N 3Å; S397-C401 PolarHBondContact O-SG 3.25Å; L398-C401 PolarHBondContact O-N 3.22Å; C401-L493 HydrophobicContact CB-CB 4.08Å; C401-L493 HydrophobicContact CB-CD2 4.37Å; C401-L493 WeakPolarHBondContact CB-O 3.45Å
402	L	97.3	Very high	94.1	Very high	3 Å²	3	27.1 Å²	27.1	2%	0.016	15%	0.149	C	C	.	.	S	Bend	trans	-128.3	130.8	-177.7	-68.6	179.2	0	0	0	112.9	L398 K406 L407 V410 V491 L493 D496	L398-L402 HydrophobicContact CD1-CD1 4.13Å; L398-L402 PolarHBondContact O-N 3.21Å; L402-K406 HydrophobicContact CD2-CB 4.46Å; L402-L407 HydrophobicContact CB-CB 4.33Å; L402-V410 HydrophobicContact CD1-CG2 4.43Å; L402-V491 HydrophobicContact CD1-CG1 4.46Å; L402-V491 HydrophobicContact CD2-CG1 3.75Å; L402-L493 HydrophobicContact CD1-CD2 3.88Å; L402-L493 HydrophobicContact CD2-CD2 3.99Å; L402-L493 HydrophobicContact CG-CD2 3.79Å; L402-D496 WeakPolarHBondContact CA-OD1 3.46Å
403	S	97.2	Very high	95.3	Very high	48 Å²	48	25.9 Å²	25.9	34%	0.336	14%	0.143	S	C	.	.			trans	-65.4	149.7	167.2	55.2	0	0	0	0	111.3	G405 K406 L407 D496	S403-G405 VanDerWaalsContact C-N 3.27Å; S403-G405 PolarHBondContact O-N 3.16Å; S403-G405 VanDerWaalsContact O-N 3.16Å; S403-K406 PolarHBondContact O-N 3.25Å; S403-L407 PolarHBondContact O-N 2.87Å; S403-D496 WeakPolarHBondContact CB-OD2 3.42Å; S403-D496 PolarHBondContact N-OD1 3.08Å; S403-D496 VanDerWaalsContact OG-CG 3.32Å; S403-D496 PolarHBondContact OG-OD1 3.26Å; S403-D496 VanDerWaalsContact OG-OD1 3.07Å; S403-D496 PolarHBondContact OG-OD2 3.42Å
404	V	97.4	Very high	96	Very high	15 Å²	15	25.4 Å²	25.4	9%	0.091	14%	0.14	C	C	.	.	H	α-helix	trans	-50.9	-44	-174.6	174.6	0	0	0	0	112.5	K406 L407 L408 M518 L521 E522	V404-K406 PolarHBondContact O-N 3.29Å; V404-L407 PolarHBondContact O-N 3.46Å; V404-L408 HydrophobicContact CG1-CD1 4.28Å; V404-L408 WeakPolarHBondContact O-CG 3.19Å; V404-L408 PolarHBondContact O-N 2.95Å; V404-M518 HydrophobicContact CG1-CB 4.4Å; V404-M518 HydrophobicContact CG1-CG 4.03Å; V404-L521 HydrophobicContact CB-CB 4.42Å; V404-L521 HydrophobicContact CG1-CB 3.58Å; V404-L521 HydrophobicContact CG1-CD1 3.9Å; V404-L521 HydrophobicContact CG1-CG 4.38Å; V404-L521 HydrophobicContact CG2-CB 3.91Å; V404-E522 HydrophobicContact CB-CG 4.47Å; V404-E522 HydrophobicContact CG1-CG 4.43Å; V404-E522 HydrophobicContact CG2-CG 4.22Å
405	G	97.1	Very high	96.5	Very high	27 Å²	27	23.9 Å²	23.9	28%	0.278	13%	0.132	S	C	.	.	H	α-helix	trans	-59.7	-46.3	177.7	0	0	0	0	0	113.4	S403 L408 Q409	S403-G405 VanDerWaalsContact C-N 3.27Å; S403-G405 PolarHBondContact O-N 3.16Å; S403-G405 VanDerWaalsContact O-N 3.16Å; G405-L408 PolarHBondContact O-N 3.36Å; G405-Q409 WeakPolarHBondContact O-CG 3.36Å; G405-Q409 PolarHBondContact O-N 3.22Å; G405-Q409 PolarHBondContact O-OE1 3.07Å
406	K	97.7	Very high	96.7	Very high	61 Å²	61	23.9 Å²	23.9	27%	0.265	13%	0.132	S	C	.	.	H	α-helix	trans	-74.1	-35.1	-179.1	-68.2	166.7	-158.8	154.8	0	111.8	L402 S403 V404 L408 Q409 V410 D496 F498	L402-K406 HydrophobicContact CD2-CB 4.46Å; S403-K406 PolarHBondContact O-N 3.25Å; V404-K406 PolarHBondContact O-N 3.29Å; K406-L408 VanDerWaalsContact C-N 3.31Å; K406-L408 PolarHBondContact O-N 3.23Å; K406-Q409 PolarHBondContact O-N 3.04Å; K406-V410 VanDerWaalsContact O-CG2 3.31Å; K406-V410 WeakPolarHBondContact O-CG2 3.42Å; K406-V410 PolarHBondContact O-N 3.43Å; K406-D496 WeakPolarHBondContact CD-O 3.31Å; K406-D496 WeakPolarHBondContact CD-OD1 3.22Å; K406-D496 WeakPolarHBondContact CE-O 3.38Å; K406-D496 PolarHBondContact NZ-O 3.28Å; K406-D496 IonicContact NZ-OD1 3.64Å; K406-D496 IonicContact NZ-OD2 2.83Å; K406-D496 PolarHBondContact NZ-OD2 3.22Å; K406-F498 HydrophobicContact CB-CE1 4.11Å; K406-F498 HydrophobicContact CB-CZ 3.88Å; K406-F498 HydrophobicContact CG-CE1 4.31Å; K406-F498 HydrophobicContact CG-CE2 4.39Å; K406-F498 HydrophobicContact CG-CZ 3.92Å
407	L	98.1	Very high	96.8	Very high	4 Å²	4	20.2 Å²	20.2	2%	0.021	11%	0.112	C	C	.	.	H	α-helix	trans	-56.9	-44.9	169.6	176.5	58.1	0	0	0	111.4	L398 L399 L402 S403 V404 V410 F411 V437 L440	L398-L407 HydrophobicContact CD1-CD1 4.23Å; L398-L407 HydrophobicContact CD2-CD1 3.64Å; L398-L407 HydrophobicContact CG-CD1 3.91Å; L399-L407 HydrophobicContact CD2-CD2 3.65Å; L399-L407 HydrophobicContact CG-CD2 4.47Å; L402-L407 HydrophobicContact CB-CB 4.33Å; S403-L407 PolarHBondContact O-N 2.87Å; V404-L407 PolarHBondContact O-N 3.46Å; L407-V410 PolarHBondContact O-N 3.09Å; L407-F411 VanDerWaalsContact O-CB 3.32Å; L407-F411 WeakPolarHBondContact O-CB 3.36Å; L407-F411 PolarHBondContact O-N 3.21Å; L407-V437 HydrophobicContact CD1-CG2 4.34Å; L407-L440 HydrophobicContact CD1-CD1 3.82Å; L407-L440 HydrophobicContact CG-CD1 4.37Å
408	L	98	Very high	97	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-67.3	-37.2	177.2	-69.4	179.7	0	0	0	112.9	V404 G405 K406 F411 A412 L509 Q514 L517 M518 L521 F551	V404-L408 HydrophobicContact CG1-CD1 4.28Å; V404-L408 WeakPolarHBondContact O-CG 3.19Å; V404-L408 PolarHBondContact O-N 2.95Å; G405-L408 PolarHBondContact O-N 3.36Å; K406-L408 VanDerWaalsContact C-N 3.31Å; K406-L408 PolarHBondContact O-N 3.23Å; L408-F411 HydrophobicContact CD2-CD1 4.42Å; L408-F411 PolarHBondContact O-N 2.92Å; L408-A412 WeakPolarHBondContact O-CB 3.4Å; L408-A412 PolarHBondContact O-N 3.37Å; L408-L509 HydrophobicContact CB-CD1 4.38Å; L408-Q514 HydrophobicContact CD1-CG 4.42Å; L408-L517 HydrophobicContact CD2-CD2 3.54Å; L408-L517 HydrophobicContact CD2-CG 3.88Å; L408-M518 HydrophobicContact CD1-CB 3.85Å; L408-M518 HydrophobicContact CD1-CE 4.1Å; L408-L521 HydrophobicContact CD1-CD1 4.49Å; L408-L521 HydrophobicContact CD2-CD1 3.93Å; L408-L521 HydrophobicContact CG-CD1 4.25Å; L408-F551 HydrophobicContact CD2-CZ 4.13Å
409	Q	98.1	Very high	97	Very high	42 Å²	42	20.6 Å²	20.6	20%	0.196	11%	0.111	C	C	.	.	H	α-helix	trans	-64.6	-39.8	174.1	-74.2	169.5	-44.9	0	0	112.8	G405 K406 S413 F498 E505	G405-Q409 WeakPolarHBondContact O-CG 3.36Å; G405-Q409 PolarHBondContact O-N 3.22Å; G405-Q409 PolarHBondContact O-OE1 3.07Å; K406-Q409 PolarHBondContact O-N 3.04Å; Q409-S413 WeakPolarHBondContact O-CB 3.37Å; Q409-S413 PolarHBondContact O-N 2.98Å; Q409-S413 PolarHBondContact O-OG 2.66Å; Q409-F498 HydrophobicContact CB-CE2 4.12Å; Q409-F498 HydrophobicContact CB-CZ 3.82Å; Q409-E505 HydrophobicContact CB-CB 3.88Å; Q409-E505 HydrophobicContact CG-CB 4.05Å
410	V	98.4	Very high	97.1	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-67.5	-47.5	173.9	172.8	0	0	0	0	111	L402 K406 L407 A412 S413 L414 V420 F422 V437 L489 V491 F498	L402-V410 HydrophobicContact CD1-CG2 4.43Å; K406-V410 VanDerWaalsContact O-CG2 3.31Å; K406-V410 WeakPolarHBondContact O-CG2 3.42Å; K406-V410 PolarHBondContact O-N 3.43Å; L407-V410 PolarHBondContact O-N 3.09Å; V410-A412 VanDerWaalsContact C-N 3.3Å; V410-A412 PolarHBondContact O-N 3.07Å; V410-S413 WeakPolarHBondContact O-CB 3.38Å; V410-S413 PolarHBondContact O-N 2.67Å; V410-S413 VanDerWaalsContact O-N 3.16Å; V410-L414 HydrophobicContact CG1-CD1 4.27Å; V410-L414 WeakPolarHBondContact O-CG 3.28Å; V410-L414 PolarHBondContact O-N 3.42Å; V410-V420 HydrophobicContact CG1-CG1 4.49Å; V410-F422 HydrophobicContact CG1-CE1 3.73Å; V410-F422 HydrophobicContact CG1-CZ 3.84Å; V410-V437 HydrophobicContact CG1-CG2 3.96Å; V410-L489 HydrophobicContact CG2-CD2 4.06Å; V410-V491 HydrophobicContact CG2-CG1 4.44Å; V410-V491 HydrophobicContact CG2-CG2 3.8Å; V410-F498 HydrophobicContact CG2-CE1 3.94Å; V410-F498 HydrophobicContact CG2-CZ 4.34Å
411	F	98.4	Very high	97.3	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-56	-44.7	174.7	166.2	-110.8	0	0	0	111.6	L407 L408 S413 L414 L415 L440 L441 L509 L517 F551 F554 F555	L407-F411 VanDerWaalsContact O-CB 3.32Å; L407-F411 WeakPolarHBondContact O-CB 3.36Å; L407-F411 PolarHBondContact O-N 3.21Å; L408-F411 HydrophobicContact CD2-CD1 4.42Å; L408-F411 PolarHBondContact O-N 2.92Å; F411-S413 VanDerWaalsContact C-N 3.34Å; F411-S413 PolarHBondContact O-N 3.49Å; F411-L414 PolarHBondContact O-N 3.35Å; F411-L415 HydrophobicContact CD1-CD1 4.16Å; F411-L415 HydrophobicContact CD2-CG 4.47Å; F411-L415 HydrophobicContact CE1-CD1 3.59Å; F411-L415 HydrophobicContact CE1-CG 4.37Å; F411-L415 HydrophobicContact CE2-CD1 4.15Å; F411-L415 HydrophobicContact CE2-CD2 4.27Å; F411-L415 HydrophobicContact CE2-CG 4.11Å; F411-L415 HydrophobicContact CZ-CD1 3.59Å; F411-L415 HydrophobicContact CZ-CD2 4.33Å; F411-L415 HydrophobicContact CZ-CG 4.08Å; F411-L415 WeakPolarHBondContact O-CG 3.19Å; F411-L415 PolarHBondContact O-N 3.09Å; F411-L440 HydrophobicContact CD2-CB 4Å; F411-L440 HydrophobicContact CE2-CB 4.24Å; F411-L440 WeakPolarHBondContact CE2-O 3.23Å; F411-L441 HydrophobicContact CD2-CD2 4.02Å; F411-L441 HydrophobicContact CE2-CD2 4.01Å; F411-L509 HydrophobicContact CD1-CD1 4.27Å; F411-L509 HydrophobicContact CD1-CD2 4.46Å; F411-L509 HydrophobicContact CE1-CD2 4.39Å; F411-L517 HydrophobicContact CE1-CD2 4.39Å; F411-F551 AromaticContact CD1-CE1 3.78Å; F411-F551 HydrophobicContact CD1-CE1 3.78Å; F411-F551 HydrophobicContact CD2-CD1 4.12Å; F411-F551 AromaticContact CD2-CE1 3.7Å; F411-F551 HydrophobicContact CD2-CE1 3.7Å; F411-F551 HydrophobicContact CE1-CD1 4.05Å; F411-F551 AromaticContact CE1-CE1 3.73Å; F411-F551 HydrophobicContact CE1-CE1 3.73Å; F411-F551 AromaticContact CE2-CD1 3.62Å; F411-F551 HydrophobicContact CE2-CD1 3.62Å; F411-F551 AromaticContact CE2-CE1 3.67Å; F411-F551 HydrophobicContact CE2-CE1 3.67Å; F411-F551 AromaticContact CG-CE1 3.75Å; F411-F551 HydrophobicContact CG-CE1 3.75Å; F411-F551 AromaticContact CZ-CD1 3.57Å; F411-F551 HydrophobicContact CZ-CD1 3.57Å; F411-F551 AromaticContact CZ-CE1 3.67Å; F411-F551 HydrophobicContact CZ-CE1 3.67Å; F411-F554 HydrophobicContact CE1-CD1 4.16Å; F411-F554 AromaticContact CE1-CE1 3.81Å; F411-F554 HydrophobicContact CE1-CE1 3.81Å; F411-F554 HydrophobicContact CE1-CZ 4.1Å; F411-F554 AromaticContact CZ-CD1 3.98Å; F411-F554 HydrophobicContact CZ-CD1 3.98Å; F411-F554 AromaticContact CZ-CE1 3.82Å; F411-F554 HydrophobicContact CZ-CE1 3.82Å; F411-F555 HydrophobicContact CE2-CE2 4.37Å; F411-F555 AromaticContact CE2-CZ 3.89Å; F411-F555 HydrophobicContact CE2-CZ 3.89Å; F411-F555 HydrophobicContact CZ-CE1 4.38Å; F411-F555 HydrophobicContact CZ-CE2 4.24Å; F411-F555 AromaticContact CZ-CZ 3.73Å; F411-F555 HydrophobicContact CZ-CZ 3.73Å
412	A	97.4	Very high	97.4	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-64.8	-37.2	177.5	0	0	0	0	0	112.9	L408 V410 L415 L416 I508 L509	L408-A412 WeakPolarHBondContact O-CB 3.4Å; L408-A412 PolarHBondContact O-N 3.37Å; V410-A412 VanDerWaalsContact C-N 3.3Å; V410-A412 PolarHBondContact O-N 3.07Å; A412-L415 WeakPolarHBondContact O-CB 3.12Å; A412-L415 PolarHBondContact O-N 2.68Å; A412-L416 PolarHBondContact O-N 3.35Å; A412-I508 HydrophobicContact CB-CB 3.73Å; A412-I508 HydrophobicContact CB-CD1 4.09Å; A412-I508 HydrophobicContact CB-CG1 4.5Å; A412-I508 HydrophobicContact CB-CG2 3.69Å; A412-L509 HydrophobicContact CB-CD1 4.11Å; A412-L509 HydrophobicContact CB-CD2 3.54Å; A412-L509 HydrophobicContact CB-CG 3.55Å
413	S	97.7	Very high	97.4	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-66.1	-38.9	174.3	-64.3	0	0	0	0	112.2	Q409 V410 F411 L416 E417 R418 E505	Q409-S413 WeakPolarHBondContact O-CB 3.37Å; Q409-S413 PolarHBondContact O-N 2.98Å; Q409-S413 PolarHBondContact O-OG 2.66Å; V410-S413 WeakPolarHBondContact O-CB 3.38Å; V410-S413 PolarHBondContact O-N 2.67Å; V410-S413 VanDerWaalsContact O-N 3.16Å; F411-S413 VanDerWaalsContact C-N 3.34Å; F411-S413 PolarHBondContact O-N 3.49Å; S413-L416 PolarHBondContact O-N 3.45Å; S413-E417 PolarHBondContact O-N 3.13Å; S413-R418 VanDerWaalsContact O-CB 3.31Å; S413-R418 WeakPolarHBondContact O-CB 3.3Å; S413-R418 WeakPolarHBondContact O-CG 3.5Å; S413-R418 PolarHBondContact O-N 3.15Å; S413-E505 WeakPolarHBondContact OG-CG 3.44Å
414	L	97.9	Very high	97.5	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-67.5	-37.8	171.9	-68	169.2	0	0	0	111.7	V410 F411 L416 E417 V420 V437 L438 L441 W446 L469 M602	V410-L414 HydrophobicContact CG1-CD1 4.27Å; V410-L414 WeakPolarHBondContact O-CG 3.28Å; V410-L414 PolarHBondContact O-N 3.42Å; F411-L414 PolarHBondContact O-N 3.35Å; L414-L416 PolarHBondContact O-N 3.26Å; L414-E417 PolarHBondContact O-N 3.13Å; L414-V420 HydrophobicContact CD2-CB 4.36Å; L414-V420 HydrophobicContact CD2-CG2 3.89Å; L414-V420 HydrophobicContact CG-CG2 4.33Å; L414-V437 HydrophobicContact CD1-CB 4.36Å; L414-V437 HydrophobicContact CD1-CG1 3.81Å; L414-V437 HydrophobicContact CD1-CG2 3.71Å; L414-L438 HydrophobicContact CD1-CD2 4.45Å; L414-L441 HydrophobicContact CB-CD1 4.47Å; L414-L441 HydrophobicContact CB-CD2 4.07Å; L414-W446 HydrophobicContact CB-CZ3 4.36Å; L414-W446 HydrophobicContact CD2-CE3 4.41Å; L414-W446 HydrophobicContact CD2-CH2 3.9Å; L414-W446 HydrophobicContact CD2-CZ2 4.41Å; L414-W446 HydrophobicContact CD2-CZ3 3.91Å; L414-W446 WeakPolarHBondContact O-CZ3 3.32Å; L414-L469 HydrophobicContact CD2-CB 4.24Å; L414-L469 HydrophobicContact CD2-CD2 4.44Å; L414-M602 WeakPolarHBondContact O-CE 3.42Å
415	L	96.9	Very high	97.4	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-60	-29.4	174.2	-75.8	-179.9	0	0	0	113.5	F411 A412 E417 L441 L509 F554 F555 F593 F597 T600	F411-L415 HydrophobicContact CD1-CD1 4.16Å; F411-L415 HydrophobicContact CD2-CG 4.47Å; F411-L415 HydrophobicContact CE1-CD1 3.59Å; F411-L415 HydrophobicContact CE1-CG 4.37Å; F411-L415 HydrophobicContact CE2-CD1 4.15Å; F411-L415 HydrophobicContact CE2-CD2 4.27Å; F411-L415 HydrophobicContact CE2-CG 4.11Å; F411-L415 HydrophobicContact CZ-CD1 3.59Å; F411-L415 HydrophobicContact CZ-CD2 4.33Å; F411-L415 HydrophobicContact CZ-CG 4.08Å; F411-L415 WeakPolarHBondContact O-CG 3.19Å; F411-L415 PolarHBondContact O-N 3.09Å; A412-L415 WeakPolarHBondContact O-CB 3.12Å; A412-L415 PolarHBondContact O-N 2.68Å; L415-E417 VanDerWaalsContact C-N 3.34Å; L415-L441 HydrophobicContact CD2-CD2 3.96Å; L415-L441 HydrophobicContact CG-CD2 4.35Å; L415-L509 HydrophobicContact CD1-CD2 3.87Å; L415-F554 HydrophobicContact CD1-CE1 4.04Å; L415-F554 HydrophobicContact CD1-CZ 4.31Å; L415-F555 HydrophobicContact CD2-CE1 3.76Å; L415-F555 HydrophobicContact CD2-CZ 3.87Å; L415-F593 HydrophobicContact CB-CZ 4.13Å; L415-F593 HydrophobicContact CD1-CZ 3.96Å; L415-F597 HydrophobicContact CB-CE2 4.5Å; L415-F597 HydrophobicContact CD2-CE2 3.82Å; L415-F597 HydrophobicContact CD2-CZ 4.22Å; L415-F597 VanDerWaalsContact O-CD2 3.27Å; L415-F597 WeakPolarHBondContact O-CD2 3.11Å; L415-T600 WeakPolarHBondContact O-CG2 3.26Å
416	L	94.9	Very high	97.3	Very high	2 Å²	2	15.1 Å²	15.1	1%	0.01	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	14	173.1	-61.1	-170.1	0	0	0	113.9	R185 I189 A412 S413 L414 R418 I508 F593 L596	R185-L416 HydrophobicContact CG-CD1 4.27Å; I189-L416 HydrophobicContact CD1-CD2 4.36Å; A412-L416 PolarHBondContact O-N 3.35Å; S413-L416 PolarHBondContact O-N 3.45Å; L414-L416 PolarHBondContact O-N 3.26Å; L416-R418 PolarHBondContact O-N 3.36Å; L416-I508 HydrophobicContact CD1-CD1 4.09Å; L416-I508 HydrophobicContact CD1-CG1 4.05Å; L416-I508 HydrophobicContact CD1-CG2 3.74Å; L416-I508 HydrophobicContact CG-CG2 3.87Å; L416-F593 HydrophobicContact CD2-CE2 4.1Å; L416-L596 HydrophobicContact CD2-CB 3.99Å
417	E	94.9	Very high	97.2	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.9	51.8	-179	-59.2	-173.2	154.7	0	0	112.8	Y188 L193 S413 L414 L415 W446 H448 P467 T600 Q601 M602	Y188-E417 PolarHBondContact OH-O 3.07Å; L193-E417 HydrophobicContact CD1-CB 4.15Å; L193-E417 WeakPolarHBondContact CD1-OE2 3.47Å; L193-E417 HydrophobicContact CD2-CB 4.03Å; L193-E417 WeakPolarHBondContact CD2-OE2 3.4Å; S413-E417 PolarHBondContact O-N 3.13Å; L414-E417 PolarHBondContact O-N 3.13Å; L415-E417 VanDerWaalsContact C-N 3.34Å; E417-W446 HydrophobicContact CB-CH2 4.49Å; E417-W446 HydrophobicContact CB-CZ3 4.37Å; E417-W446 HydrophobicContact CG-CZ3 4.15Å; E417-H448 IonicContact OE1-CD2 3.85Å; E417-H448 IonicContact OE1-NE2 2.74Å; E417-H448 PolarHBondContact OE1-NE2 3.16Å; E417-H448 IonicContact OE2-CD2 3.31Å; E417-H448 IonicContact OE2-CE1 2.74Å; E417-H448 IonicContact OE2-NE2 2.74Å; E417-H448 PolarHBondContact OE2-NE2 2.81Å; E417-P467 HydrophobicContact CB-CB 4.26Å; E417-P467 HydrophobicContact CB-CG 4.08Å; E417-P467 VanDerWaalsContact O-CB 3.23Å; E417-P467 WeakPolarHBondContact O-CB 3.16Å; E417-P467 WeakPolarHBondContact O-CG 3.32Å; E417-T600 HydrophobicContact CG-CG2 3.95Å; E417-Q601 VanDerWaalsContact CD-N 3.3Å; E417-Q601 WeakPolarHBondContact OE1-CA 3.49Å; E417-Q601 PolarHBondContact OE1-N 2.82Å; E417-Q601 PolarHBondContact OE2-N 3.2Å; E417-M602 HydrophobicContact CG-CE 4.06Å; E417-M602 VanDerWaalsContact OE1-CG 3.29Å; E417-M602 WeakPolarHBondContact OE1-CG 3.5Å; E417-M602 PolarHBondContact OE1-N 2.74Å
418	R	95	Very high	97	Very high	8 Å²	8	13 Å²	13	3%	0.03	6%	0.064	C	C	.	.			trans	-79.7	163	173.9	-67.1	-173.7	175.6	-175.7	-4.2	113.4	Y188 S413 L416 V420 D504 E505	Y188-R418 HydrophobicContact CE1-CG 4.04Å; Y188-R418 WeakPolarHBondContact OH-CA 3.29Å; S413-R418 VanDerWaalsContact O-CB 3.31Å; S413-R418 WeakPolarHBondContact O-CB 3.3Å; S413-R418 WeakPolarHBondContact O-CG 3.5Å; S413-R418 PolarHBondContact O-N 3.15Å; L416-R418 PolarHBondContact O-N 3.36Å; R418-V420 HydrophobicContact CB-CG2 4.47Å; R418-D504 IonicContact CZ-OD1 3.63Å; R418-D504 IonicContact CZ-OD2 3.12Å; R418-D504 IonicContact NH1-OD1 3.8Å; R418-D504 PolarHBondContact NH1-OD1 3.06Å; R418-D504 IonicContact NH2-OD1 3.77Å; R418-D504 PolarHBondContact NH2-OD1 3.03Å; R418-D504 IonicContact NH2-OD2 2.79Å; R418-D504 PolarHBondContact NH2-OD2 2.78Å; R418-E505 IonicContact NH1-OE1 3.35Å
419	R	96.6	Very high	97	Very high	16 Å²	16	14.2 Å²	14.2	6%	0.06	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	120.4	164.1	-61.9	175.4	-162.9	122.4	13.9	108.6	Y188 S464 P465 F468 E486 E487 V488 L489	Y188-R419 PolarHBondContact OH-N 2.88Å; R419-S464 PolarHBondContact NE-O 2.64Å; R419-P465 PolarHBondContact NE-O 3.2Å; R419-P465 PolarHBondContact NH2-O 2.84Å; R419-F468 HydrophobicContact CB-CD1 4.38Å; R419-F468 HydrophobicContact CB-CD2 4.37Å; R419-F468 HydrophobicContact CB-CE1 3.93Å; R419-F468 HydrophobicContact CB-CE2 3.9Å; R419-F468 HydrophobicContact CB-CZ 3.68Å; R419-F468 HydrophobicContact CG-CD1 4.05Å; R419-F468 HydrophobicContact CG-CE1 3.7Å; R419-F468 HydrophobicContact CG-CZ 3.99Å; R419-E486 PolarHBondContact NH1-O 2.8Å; R419-E487 IonicContact NH1-OE2 3.18Å; R419-V488 HydrophobicContact CB-CB 4.17Å; R419-V488 HydrophobicContact CB-CG2 4.08Å; R419-L489 PolarHBondContact O-N 3.11Å
420	V	98.4	Very high	96.9	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	129.5	-178.8	-175.3	0	0	0	0	110.6	V410 L414 R418 F422 F468 L469 I470 L489 V491	V410-V420 HydrophobicContact CG1-CG1 4.49Å; L414-V420 HydrophobicContact CD2-CB 4.36Å; L414-V420 HydrophobicContact CD2-CG2 3.89Å; L414-V420 HydrophobicContact CG-CG2 4.33Å; R418-V420 HydrophobicContact CB-CG2 4.47Å; V420-F422 HydrophobicContact CG1-CD1 4.06Å; V420-F422 HydrophobicContact CG1-CE1 3.88Å; V420-F468 PolarHBondContact N-O 3.04Å; V420-L469 HydrophobicContact CB-CD1 3.86Å; V420-L469 HydrophobicContact CG1-CD1 3.76Å; V420-L469 WeakPolarHBondContact O-CA 3.5Å; V420-I470 PolarHBondContact O-N 3.48Å; V420-L489 WeakPolarHBondContact CA-O 3.42Å; V420-L489 HydrophobicContact CG2-CB 4.45Å; V420-V491 HydrophobicContact CG1-CG2 4.49Å
421	I	98.6	Very high	96.8	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	123.3	174.9	-54.4	-174.7	0	0	0	109	V423 F468 I470 V472 V480 I485 V488 L489 I490 V491	I421-V423 HydrophobicContact CG2-CG2 4.23Å; I421-F468 HydrophobicContact CD1-CE2 4.38Å; I421-F468 HydrophobicContact CG1-CE2 3.82Å; I421-I470 CarbonylContact C-O 3.54Å; I421-I470 WeakPolarHBondContact CA-O 3.5Å; I421-I470 HydrophobicContact CB-CG1 4.29Å; I421-I470 HydrophobicContact CD1-CD1 4.09Å; I421-I470 HydrophobicContact CG1-CD1 3.9Å; I421-I470 HydrophobicContact CG1-CG1 3.79Å; I421-I470 HydrophobicContact CG2-CG1 4.27Å; I421-V472 HydrophobicContact CG2-CG1 4.29Å; I421-V472 HydrophobicContact CG2-CG2 3.7Å; I421-V480 HydrophobicContact CD1-CG1 3.82Å; I421-I485 HydrophobicContact CD1-CD1 4.08Å; I421-V488 HydrophobicContact CD1-CG2 3.85Å; I421-V488 HydrophobicContact CG1-CG2 3.71Å; I421-L489 PolarHBondContact N-O 3.18Å; I421-I490 HydrophobicContact CB-CB 4.48Å; I421-I490 HydrophobicContact CB-CG1 4.11Å; I421-I490 HydrophobicContact CB-CG2 4.3Å; I421-I490 HydrophobicContact CD1-CD1 4.08Å; I421-I490 HydrophobicContact CD1-CG1 4.15Å; I421-I490 HydrophobicContact CG1-CG1 4.34Å; I421-I490 HydrophobicContact CG2-CG2 4.4Å; I421-I490 WeakPolarHBondContact O-CA 3.4Å; I421-V491 PolarHBondContact O-N 2.9Å
422	F	98.8	Very high	96.6	Very high	2 Å²	2	16.2 Å²	16.2	1%	0.009	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	140.3	166.5	-74.6	-2.9	0	0	0	110.5	V410 V420 L430 C433 V437 L469 I470 G471 V472 V491 L493	V410-F422 HydrophobicContact CG1-CE1 3.73Å; V410-F422 HydrophobicContact CG1-CZ 3.84Å; V420-F422 HydrophobicContact CG1-CD1 4.06Å; V420-F422 HydrophobicContact CG1-CE1 3.88Å; F422-L430 HydrophobicContact CB-CD2 4.13Å; F422-C433 HydrophobicContact CD2-CB 4.17Å; F422-C433 HydrophobicContact CE2-CB 4.04Å; F422-V437 HydrophobicContact CE2-CB 4.39Å; F422-V437 HydrophobicContact CE2-CG1 3.81Å; F422-V437 HydrophobicContact CZ-CB 4.24Å; F422-V437 HydrophobicContact CZ-CG1 3.79Å; F422-V437 HydrophobicContact CZ-CG2 4.4Å; F422-L469 HydrophobicContact CD1-CD1 4.31Å; F422-L469 HydrophobicContact CD2-CD1 4.42Å; F422-L469 HydrophobicContact CE1-CD1 4.27Å; F422-L469 HydrophobicContact CE2-CD1 4.37Å; F422-L469 HydrophobicContact CG-CD1 4.41Å; F422-L469 HydrophobicContact CZ-CD1 4.31Å; F422-I470 PolarHBondContact N-O 2.9Å; F422-G471 CarbonylContact O-C 3.58Å; F422-G471 WeakPolarHBondContact O-CA 3.4Å; F422-V472 PolarHBondContact O-N 2.61Å; F422-V491 CarbonylContact C-O 3.59Å; F422-V491 HydrophobicContact CD1-CB 3.93Å; F422-V491 HydrophobicContact CD1-CG2 4.15Å; F422-V491 HydrophobicContact CE1-CB 4.24Å; F422-V491 HydrophobicContact CE1-CG2 4.14Å; F422-L493 HydrophobicContact CB-CD1 3.9Å; F422-L493 HydrophobicContact CB-CG 4.33Å; F422-L493 HydrophobicContact CD2-CD1 3.91Å; F422-L493 HydrophobicContact CD2-CD2 4.49Å; F422-L493 HydrophobicContact CG-CD1 4.02Å; F422-L493 HydrophobicContact CG-CD2 4.39Å; F422-L493 HydrophobicContact CG-CG 4.37Å
423	V	98.4	Very high	96.6	Very high	2 Å²	2	16.2 Å²	16.2	1%	0.012	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	128	-179.2	-169.3	0	0	0	0	108.7	I421 V472 A474 L477 I490 V491 L493	I421-V423 HydrophobicContact CG2-CG2 4.23Å; V423-V472 WeakPolarHBondContact CA-O 3.46Å; V423-V472 HydrophobicContact CB-CG2 4.44Å; V423-V472 HydrophobicContact CG1-CG2 4.37Å; V423-V472 HydrophobicContact CG2-CG2 3.9Å; V423-A474 HydrophobicContact CG1-CB 4.03Å; V423-L477 HydrophobicContact CG1-CB 4.28Å; V423-L477 HydrophobicContact CG1-CD2 4.35Å; V423-L477 HydrophobicContact CG2-CD1 4.11Å; V423-I490 HydrophobicContact CG2-CG2 3.66Å; V423-V491 PolarHBondContact N-O 3.47Å; V423-L493 WeakPolarHBondContact O-CB 3.13Å; V423-L493 PolarHBondContact O-N 3.49Å
424	A	97.9	Very high	96.6	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	167.9	175.4	0	0	0	0	0	113	V429 L430 V472 L473 A474 L493	A424-V429 HydrophobicContact CB-CB 4.14Å; A424-V429 HydrophobicContact CB-CG1 3.79Å; A424-L430 HydrophobicContact CB-CD2 3.74Å; A424-L430 HydrophobicContact CB-CG 3.92Å; A424-V472 PolarHBondContact N-O 3.18Å; A424-L473 CarbonylContact O-C 3.52Å; A424-L473 WeakPolarHBondContact O-CA 3.31Å; A424-A474 PolarHBondContact O-N 3.28Å; A424-L493 HydrophobicContact CB-CB 4.19Å; A424-L493 HydrophobicContact CB-CD1 4.42Å
425	D	95.3	Very high	96.4	Very high	87 Å²	87	16.9 Å²	16.9	47%	0.465	8%	0.08	S	C	.	.	S	Bend	trans	-80.6	-13.8	177.9	74.2	-28.5	0	0	0	114.2	C494	D425-C494 PolarHBondContact N-SG 3.21Å; D425-C494 PolarHBondContact OD1-SG 3.34Å
426	K	95.4	Very high	96.3	Very high	93 Å²	93	16.9 Å²	16.9	40%	0.404	8%	0.08	S	C	.	.			trans	-133.4	141.7	-172.1	-69	172.6	-155	82.6	0	112.7	S428 V429 L430	K426-S428 VanDerWaalsContact C-N 3.34Å; K426-V429 HydrophobicContact CB-CB 4.22Å; K426-V429 HydrophobicContact CB-CG2 3.93Å; K426-V429 HydrophobicContact CD-CG2 4.27Å; K426-V429 PolarHBondContact O-N 3.08Å; K426-L430 PolarHBondContact O-N 2.75Å
427	L	95.7	Very high	96.4	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.005	8%	0.08	C	C	.	.	H	α-helix	trans	-69.6	-35.4	177	-57.8	177.2	0	0	0	111.7	P269 E283 F285 K303 V429 S431 V453 L473	P269-L427 HydrophobicContact CG-CD1 3.88Å; P269-L427 HydrophobicContact CG-CD2 3.56Å; P269-L427 HydrophobicContact CG-CG 4.39Å; E283-L427 PolarHBondContact OE1-N 3.35Å; F285-L427 HydrophobicContact CB-CB 3.71Å; F285-L427 WeakPolarHBondContact CB-O 3.43Å; F285-L427 HydrophobicContact CD1-CB 3.92Å; F285-L427 HydrophobicContact CD1-CD1 3.99Å; F285-L427 HydrophobicContact CD2-CB 3.97Å; F285-L427 HydrophobicContact CD2-CD1 4.35Å; F285-L427 HydrophobicContact CE1-CD1 3.74Å; F285-L427 HydrophobicContact CE2-CD1 4.11Å; F285-L427 HydrophobicContact CG-CB 3.61Å; F285-L427 HydrophobicContact CG-CD1 4.29Å; F285-L427 HydrophobicContact CZ-CD1 3.8Å; K303-L427 HydrophobicContact CD-CD1 4.29Å; L427-V429 VanDerWaalsContact C-N 3.34Å; L427-V429 PolarHBondContact O-N 2.85Å; L427-S431 WeakPolarHBondContact O-CB 3.41Å; L427-S431 PolarHBondContact O-N 3.34Å; L427-S431 PolarHBondContact O-OG 3.49Å; L427-V453 HydrophobicContact CB-CG2 4.49Å; L427-V453 HydrophobicContact CD2-CG1 3.71Å; L427-V453 HydrophobicContact CD2-CG2 4.17Å; L427-L473 HydrophobicContact CD2-CD1 3.92Å; L427-L473 HydrophobicContact CD2-CD2 3.67Å; L427-L473 HydrophobicContact CD2-CG 3.8Å; L427-L473 HydrophobicContact CG-CD2 4.29Å
428	S	95.2	Very high	96.4	Very high	21 Å²	21	18 Å²	18	15%	0.147	9%	0.086	C	C	.	.	H	α-helix	trans	-59	-41.5	172.6	46.2	0	0	0	0	112.3	E283 T284 K426 S431 R432	E283-S428 WeakPolarHBondContact OE1-CB 3.29Å; E283-S428 PolarHBondContact OE1-N 3.3Å; E283-S428 PolarHBondContact OE1-OG 3.2Å; T284-S428 WeakPolarHBondContact O-CB 3.48Å; K426-S428 VanDerWaalsContact C-N 3.34Å; S428-S431 PolarHBondContact O-OG 2.84Å; S428-R432 VanDerWaalsContact O-CB 3.32Å; S428-R432 WeakPolarHBondContact O-CB 3.39Å; S428-R432 VanDerWaalsContact O-CD 3.28Å; S428-R432 WeakPolarHBondContact O-CD 3.39Å; S428-R432 WeakPolarHBondContact O-CG 3.35Å; S428-R432 PolarHBondContact O-N 3Å; S428-R432 VanDerWaalsContact O-N 3.11Å
429	V	96.8	Very high	96.2	Very high	25 Å²	25	19 Å²	19	15%	0.152	10%	0.095	C	C	.	.	H	α-helix	trans	-68.8	-51	177.7	173.1	0	0	0	0	111.3	A424 K426 L427 S431 R432 C433 L493	A424-V429 HydrophobicContact CB-CB 4.14Å; A424-V429 HydrophobicContact CB-CG1 3.79Å; K426-V429 HydrophobicContact CB-CB 4.22Å; K426-V429 HydrophobicContact CB-CG2 3.93Å; K426-V429 HydrophobicContact CD-CG2 4.27Å; K426-V429 PolarHBondContact O-N 3.08Å; L427-V429 VanDerWaalsContact C-N 3.34Å; L427-V429 PolarHBondContact O-N 2.85Å; V429-S431 VanDerWaalsContact C-N 3.34Å; V429-S431 PolarHBondContact O-N 2.81Å; V429-R432 PolarHBondContact O-N 2.97Å; V429-C433 WeakPolarHBondContact O-CB 3.5Å; V429-C433 PolarHBondContact O-N 3.19Å; V429-C433 PolarHBondContact O-SG 2.91Å; V429-L493 HydrophobicContact CG1-CB 4.3Å; V429-L493 HydrophobicContact CG1-CD1 4.11Å
430	L	97.3	Very high	96.2	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.005	9%	0.093	C	C	.	.	H	α-helix	trans	-55.2	-48.4	178.6	-70.2	174.3	0	0	0	112.1	F422 A424 K426 G434 P452 V453 V472 L473 L493	F422-L430 HydrophobicContact CB-CD2 4.13Å; A424-L430 HydrophobicContact CB-CD2 3.74Å; A424-L430 HydrophobicContact CB-CG 3.92Å; K426-L430 PolarHBondContact O-N 2.75Å; L430-G434 PolarHBondContact O-N 3.44Å; L430-P452 WeakPolarHBondContact CB-O 3.47Å; L430-V453 HydrophobicContact CB-CG2 4.2Å; L430-V472 WeakPolarHBondContact CD1-O 3.46Å; L430-L473 HydrophobicContact CD1-CD2 4.29Å; L430-L473 HydrophobicContact CD1-CG 4.46Å; L430-L493 HydrophobicContact CD2-CD1 4.44Å
431	S	95.6	Very high	96.1	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-66.6	-47.2	-178.5	55.1	0	0	0	0	113.3	F285 S286 L427 S428 V429 G434 H435	F285-S431 WeakPolarHBondContact CA-OG 3.29Å; F285-S431 WeakPolarHBondContact CB-OG 3.36Å; S286-S431 VanDerWaalsContact N-CB 3.33Å; S286-S431 PolarHBondContact N-OG 2.87Å; S286-S431 WeakPolarHBondContact O-CB 3.41Å; L427-S431 WeakPolarHBondContact O-CB 3.41Å; L427-S431 PolarHBondContact O-N 3.34Å; L427-S431 PolarHBondContact O-OG 3.49Å; S428-S431 PolarHBondContact O-OG 2.84Å; V429-S431 VanDerWaalsContact C-N 3.34Å; V429-S431 PolarHBondContact O-N 2.81Å; S431-G434 PolarHBondContact O-N 2.99Å; S431-H435 WeakPolarHBondContact O-CB 3.41Å; S431-H435 PolarHBondContact O-CD2 2.83Å; S431-H435 PolarHBondContact O-N 2.96Å
432	R	94.8	Very high	95.8	Very high	83 Å²	83	20.5 Å²	20.5	31%	0.313	10%	0.102	S	C	.	.	H	α-helix	trans	-61.6	-50.2	177.2	-71.6	167.8	-175.4	-140.3	9.1	111.8	D394 S397 S428 V429 G434 H435 A436	D394-R432 HydrophobicContact CB-CB 4.17Å; D394-R432 HydrophobicContact CB-CG 4.13Å; D394-R432 VanDerWaalsContact OD2-CD 3.26Å; D394-R432 WeakPolarHBondContact OD2-CD 3.44Å; D394-R432 IonicContact OD2-CZ 3.62Å; D394-R432 IonicContact OD2-NE 2.72Å; D394-R432 IonicContact OD2-NH1 3.88Å; D394-R432 PolarHBondContact OD2-NH1 2.89Å; S397-R432 WeakPolarHBondContact OG-CD 3.42Å; S428-R432 VanDerWaalsContact O-CB 3.32Å; S428-R432 WeakPolarHBondContact O-CB 3.39Å; S428-R432 VanDerWaalsContact O-CD 3.28Å; S428-R432 WeakPolarHBondContact O-CD 3.39Å; S428-R432 WeakPolarHBondContact O-CG 3.35Å; S428-R432 PolarHBondContact O-N 3Å; S428-R432 VanDerWaalsContact O-N 3.11Å; V429-R432 PolarHBondContact O-N 2.97Å; R432-G434 PolarHBondContact O-N 3.24Å; R432-H435 PolarHBondContact O-N 2.93Å; R432-A436 WeakPolarHBondContact O-CB 3.33Å; R432-A436 PolarHBondContact O-N 2.87Å
433	C	97.1	Very high	95.5	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-64.5	-41.3	-179.4	-62.4	0	0	0	0	111.7	L398 F422 V429 A436 V437 L493	L398-C433 HydrophobicContact CD1-CB 3.84Å; F422-C433 HydrophobicContact CD2-CB 4.17Å; F422-C433 HydrophobicContact CE2-CB 4.04Å; V429-C433 WeakPolarHBondContact O-CB 3.5Å; V429-C433 PolarHBondContact O-N 3.19Å; V429-C433 PolarHBondContact O-SG 2.91Å; C433-A436 PolarHBondContact O-N 3.45Å; C433-V437 WeakPolarHBondContact O-CB 2.94Å; C433-V437 WeakPolarHBondContact O-CG1 3.06Å; C433-V437 PolarHBondContact O-N 3.36Å; C433-L493 HydrophobicContact CB-CD1 3.73Å
434	G	96.4	Very high	95.2	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.01	11%	0.106	C	C	.	.	H	α-helix	trans	-63.2	-42.8	176.4	0	0	0	0	0	113.3	L430 S431 R432 L438	L430-G434 PolarHBondContact O-N 3.44Å; S431-G434 PolarHBondContact O-N 2.99Å; R432-G434 PolarHBondContact O-N 3.24Å; G434-L438 WeakPolarHBondContact O-CG 3.45Å
435	H	94.1	Very high	94.8	Very high	13 Å²	13	23.5 Å²	23.5	6%	0.06	12%	0.12	C	C	.	.	H	α-helix	trans	-69.2	-42.5	174.2	-79.5	-67.6	0	0	0	112.3	S286 F298 H392 S431 R432 L438 A439 F450	S286-H435 PolarHBondContact OG-CD2 3.49Å; S286-H435 PolarHBondContact OG-NE2 3.21Å; F298-H435 AromaticContact CD1-CE1 3.92Å; H392-H435 AromaticContact CE1-CD2 3.84Å; H392-H435 AromaticContact CE1-CE1 3.88Å; H392-H435 AromaticContact CE1-CG 3.7Å; H392-H435 AromaticContact CE1-ND1 3.72Å; H392-H435 AromaticContact CE1-NE2 3.96Å; H392-H435 AromaticContact ND1-CE1 3.83Å; H392-H435 AromaticContact ND1-ND1 3.71Å; H392-H435 AromaticContact NE2-CE1 3.18Å; H392-H435 PolarHBondContact NE2-CE1 3.41Å; H392-H435 AromaticContact NE2-ND1 3.82Å; H392-H435 AromaticContact NE2-NE2 3.44Å; H392-H435 PolarHBondContact NE2-NE2 3.49Å; S431-H435 WeakPolarHBondContact O-CB 3.41Å; S431-H435 PolarHBondContact O-CD2 2.83Å; S431-H435 PolarHBondContact O-N 2.96Å; R432-H435 PolarHBondContact O-N 2.93Å; H435-L438 PolarHBondContact O-N 3.2Å; H435-A439 PolarHBondContact O-N 3.45Å; H435-F450 AromaticContact CE1-CE1 3.74Å; H435-F450 AromaticContact ND1-CE1 3.79Å
436	A	95.3	Very high	94.6	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-65.8	-44.1	-178.2	0	0	0	0	0	112.4	V393 F395 L398 R432 C433 L438 A439 L440	V393-A436 HydrophobicContact CG1-CB 4.33Å; F395-A436 HydrophobicContact CD1-CB 3.9Å; F395-A436 HydrophobicContact CE1-CB 4.34Å; F395-A436 WeakPolarHBondContact CE1-O 3.3Å; L398-A436 HydrophobicContact CB-CB 4.1Å; L398-A436 HydrophobicContact CD2-CB 3.85Å; R432-A436 WeakPolarHBondContact O-CB 3.33Å; R432-A436 PolarHBondContact O-N 2.87Å; C433-A436 PolarHBondContact O-N 3.45Å; A436-L438 VanDerWaalsContact C-N 3.29Å; A436-L438 PolarHBondContact O-N 2.77Å; A436-A439 WeakPolarHBondContact O-CB 3.48Å; A436-A439 PolarHBondContact O-N 2.84Å; A436-A439 VanDerWaalsContact O-N 3.09Å; A436-L440 PolarHBondContact O-N 3.39Å
437	V	96.9	Very high	94.1	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-66.8	-29.9	-179.7	80.8	0	0	0	0	112.6	L398 L407 V410 L414 F422 C433 L440 L469	L398-V437 HydrophobicContact CD2-CB 4.21Å; L407-V437 HydrophobicContact CD1-CG2 4.34Å; V410-V437 HydrophobicContact CG1-CG2 3.96Å; L414-V437 HydrophobicContact CD1-CB 4.36Å; L414-V437 HydrophobicContact CD1-CG1 3.81Å; L414-V437 HydrophobicContact CD1-CG2 3.71Å; F422-V437 HydrophobicContact CE2-CB 4.39Å; F422-V437 HydrophobicContact CE2-CG1 3.81Å; F422-V437 HydrophobicContact CZ-CB 4.24Å; F422-V437 HydrophobicContact CZ-CG1 3.79Å; F422-V437 HydrophobicContact CZ-CG2 4.4Å; C433-V437 WeakPolarHBondContact O-CB 2.94Å; C433-V437 WeakPolarHBondContact O-CG1 3.06Å; C433-V437 PolarHBondContact O-N 3.36Å; V437-L440 HydrophobicContact CG2-CD1 4.31Å; V437-L440 WeakPolarHBondContact O-CB 3.37Å; V437-L440 PolarHBondContact O-N 3Å; V437-L469 HydrophobicContact CG1-CD2 3.6Å
438	L	94.3	Very high	93.8	Very high	26 Å²	26	17.9 Å²	17.9	14%	0.136	9%	0.092	C	C	.	.	H	α-helix	trans	-72.8	-30.6	172.3	-67.8	-169.2	0	0	0	112.7	L414 G434 H435 A436 L440 L441 W446 F450 L469	L414-L438 HydrophobicContact CD1-CD2 4.45Å; G434-L438 WeakPolarHBondContact O-CG 3.45Å; H435-L438 PolarHBondContact O-N 3.2Å; A436-L438 VanDerWaalsContact C-N 3.29Å; A436-L438 PolarHBondContact O-N 2.77Å; L438-L440 PolarHBondContact O-N 2.96Å; L438-L441 HydrophobicContact CD2-CD1 3.68Å; L438-L441 WeakPolarHBondContact O-CB 3.45Å; L438-L441 PolarHBondContact O-N 3.32Å; L438-L441 VanDerWaalsContact O-N 3.13Å; L438-W446 HydrophobicContact CD1-CB 4.21Å; L438-W446 HydrophobicContact CD1-CG 4.32Å; L438-W446 HydrophobicContact CD2-CB 3.84Å; L438-W446 HydrophobicContact CD2-CD2 4.17Å; L438-W446 HydrophobicContact CD2-CG 3.83Å; L438-F450 HydrophobicContact CD1-CB 4.27Å; L438-F450 HydrophobicContact CD1-CD1 3.78Å; L438-F450 HydrophobicContact CD1-CD2 3.52Å; L438-F450 HydrophobicContact CD1-CE1 3.89Å; L438-F450 HydrophobicContact CD1-CE2 3.63Å; L438-F450 HydrophobicContact CD1-CG 3.58Å; L438-F450 HydrophobicContact CD1-CZ 3.81Å; L438-F450 HydrophobicContact CG-CD2 4.4Å; L438-F450 HydrophobicContact CG-CE2 4.23Å; L438-L469 HydrophobicContact CD1-CD2 4.29Å; L438-L469 HydrophobicContact CD2-CD2 3.57Å; L438-L469 HydrophobicContact CG-CD2 3.72Å
439	A	92.7	Very high	93.7	Very high	27 Å²	27	19 Å²	19	22%	0.223	10%	0.098	C	C	.	.	H	α-helix	trans	-66.2	-25.5	175.8	0	0	0	0	0	112.7	V393 F395 H435 A436 L441 Y442	V393-A439 HydrophobicContact CG1-CB 4.13Å; V393-A439 HydrophobicContact CG2-CB 3.52Å; F395-A439 HydrophobicContact CE1-CB 4.34Å; F395-A439 HydrophobicContact CZ-CB 4.19Å; H435-A439 PolarHBondContact O-N 3.45Å; A436-A439 WeakPolarHBondContact O-CB 3.48Å; A436-A439 PolarHBondContact O-N 2.84Å; A436-A439 VanDerWaalsContact O-N 3.09Å; A439-L441 PolarHBondContact O-N 3.5Å; A439-Y442 PolarHBondContact O-N 3.43Å
440	L	95.9	Very high	93.5	Very high	4 Å²	4	18 Å²	18	2%	0.021	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-16.8	172.7	-60.1	-179.8	0	0	0	113.6	F395 L398 L407 F411 A436 V437 L438 F551 F555	F395-L440 HydrophobicContact CD1-CD2 4.01Å; F395-L440 HydrophobicContact CE1-CD2 3.24Å; F395-L440 HydrophobicContact CE1-CG 3.8Å; F395-L440 HydrophobicContact CZ-CD2 3.74Å; L398-L440 HydrophobicContact CD2-CD1 4.2Å; L407-L440 HydrophobicContact CD1-CD1 3.82Å; L407-L440 HydrophobicContact CG-CD1 4.37Å; F411-L440 HydrophobicContact CD2-CB 4Å; F411-L440 HydrophobicContact CE2-CB 4.24Å; F411-L440 WeakPolarHBondContact CE2-O 3.23Å; A436-L440 PolarHBondContact O-N 3.39Å; V437-L440 HydrophobicContact CG2-CD1 4.31Å; V437-L440 WeakPolarHBondContact O-CB 3.37Å; V437-L440 PolarHBondContact O-N 3Å; L438-L440 PolarHBondContact O-N 2.96Å; L440-F551 HydrophobicContact CB-CD1 3.82Å; L440-F551 HydrophobicContact CB-CE1 3.85Å; L440-F551 HydrophobicContact CB-CG 4.33Å; L440-F551 HydrophobicContact CB-CZ 4.38Å; L440-F551 HydrophobicContact CD1-CE1 3.98Å; L440-F551 HydrophobicContact CD1-CE2 4.34Å; L440-F551 HydrophobicContact CD1-CZ 3.78Å; L440-F551 HydrophobicContact CD2-CD1 4.13Å; L440-F551 HydrophobicContact CD2-CD2 3.67Å; L440-F551 HydrophobicContact CD2-CE1 4.09Å; L440-F551 HydrophobicContact CD2-CE2 3.61Å; L440-F551 HydrophobicContact CD2-CG 3.93Å; L440-F551 HydrophobicContact CD2-CZ 3.84Å; L440-F551 HydrophobicContact CG-CD1 4.42Å; L440-F551 HydrophobicContact CG-CE1 4.19Å; L440-F551 HydrophobicContact CG-CE2 4.47Å; L440-F551 HydrophobicContact CG-CZ 4.22Å; L440-F551 WeakPolarHBondContact O-CD1 3.39Å; L440-F555 WeakPolarHBondContact O-CE2 3.2Å
441	L	96	Very high	93.4	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-15.6	-177.8	-58.5	170.9	0	0	0	113.2	F411 L414 L415 L438 A439 F444 W446 F555 M602	F411-L441 HydrophobicContact CD2-CD2 4.02Å; F411-L441 HydrophobicContact CE2-CD2 4.01Å; L414-L441 HydrophobicContact CB-CD1 4.47Å; L414-L441 HydrophobicContact CB-CD2 4.07Å; L415-L441 HydrophobicContact CD2-CD2 3.96Å; L415-L441 HydrophobicContact CG-CD2 4.35Å; L438-L441 HydrophobicContact CD2-CD1 3.68Å; L438-L441 WeakPolarHBondContact O-CB 3.45Å; L438-L441 PolarHBondContact O-N 3.32Å; L438-L441 VanDerWaalsContact O-N 3.13Å; A439-L441 PolarHBondContact O-N 3.5Å; L441-F444 CarbonylContact C-O 3.58Å; L441-F444 VanDerWaalsContact C-O 3.29Å; L441-F444 WeakPolarHBondContact CB-O 3.23Å; L441-F444 WeakPolarHBondContact O-CA 3.27Å; L441-F444 VanDerWaalsContact O-CB 3.3Å; L441-F444 WeakPolarHBondContact O-CB 3.46Å; L441-F444 PolarHBondContact O-N 2.93Å; L441-W446 HydrophobicContact CD1-CB 4.12Å; L441-W446 HydrophobicContact CD1-CE3 4.17Å; L441-F555 WeakPolarHBondContact O-CE2 3.33Å; L441-F555 WeakPolarHBondContact O-CZ 3.38Å; L441-M602 HydrophobicContact CB-SD 4.47Å; L441-M602 HydrophobicContact CD1-SD 3.92Å; L441-M602 HydrophobicContact CD2-CE 4.37Å
442	Y	93.1	Very high	93.4	Very high	44 Å²	44	18.6 Å²	18.6	17%	0.173	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	127.5	-179.7	173	-85.8	0	0	0	111.3	R389 A439 V552 F555 L620 Y621	R389-Y442 VanDerWaalsContact CD-CD2 3.49Å; R389-Y442 HydrophobicContact CG-CD2 4.21Å; R389-Y442 HydrophobicContact CG-CE2 4.27Å; A439-Y442 PolarHBondContact O-N 3.43Å; Y442-V552 HydrophobicContact CD1-CG2 3.62Å; Y442-V552 HydrophobicContact CE1-CG2 3.69Å; Y442-F555 WeakPolarHBondContact O-CD2 3.49Å; Y442-F555 WeakPolarHBondContact O-CE2 3.49Å; Y442-L620 PolarHBondContact OH-N 3.3Å; Y442-Y621 PolarHBondContact OH-N 2.94Å
443	P	92.3	Very high	93.5	Very high	16 Å²	16	14.8 Å²	14.8	10%	0.104	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	cis	-88	6.4	23.9	37.8	-41.4	0	0	0	116	F606 Y621	P443-F606 HydrophobicContact CB-CD2 4.2Å; P443-F606 HydrophobicContact CB-CE2 3.91Å; P443-F606 HydrophobicContact CG-CD2 4.19Å; P443-F606 HydrophobicContact CG-CE2 3.76Å; P443-Y621 HydrophobicContact CB-CD1 3.72Å; P443-Y621 HydrophobicContact CB-CD2 4.23Å; P443-Y621 HydrophobicContact CB-CE1 4.31Å; P443-Y621 HydrophobicContact CB-CG 3.68Å; P443-Y621 HydrophobicContact CG-CD1 3.77Å; P443-Y621 HydrophobicContact CG-CD2 3.67Å; P443-Y621 HydrophobicContact CG-CE1 3.96Å; P443-Y621 HydrophobicContact CG-CE2 3.86Å; P443-Y621 HydrophobicContact CG-CG 3.63Å
444	F	92.5	Very high	93.5	Very high	4 Å²	4	14.9 Å²	14.9	2%	0.018	8%	0.082	C	C	.	.	S	Bend	trans	-92.2	131.7	178.2	-56.3	-87	0	0	0	111.3	L441 F555 V559 F597 M602 F603 F606	L441-F444 CarbonylContact C-O 3.58Å; L441-F444 VanDerWaalsContact C-O 3.29Å; L441-F444 WeakPolarHBondContact CB-O 3.23Å; L441-F444 WeakPolarHBondContact O-CA 3.27Å; L441-F444 VanDerWaalsContact O-CB 3.3Å; L441-F444 WeakPolarHBondContact O-CB 3.46Å; L441-F444 PolarHBondContact O-N 2.93Å; F444-F555 AromaticContact CD2-CD1 3.92Å; F444-F555 HydrophobicContact CD2-CD1 3.92Å; F444-F555 AromaticContact CD2-CE1 3.69Å; F444-F555 HydrophobicContact CD2-CE1 3.69Å; F444-F555 HydrophobicContact CD2-CG 4.46Å; F444-F555 HydrophobicContact CD2-CZ 4.05Å; F444-F555 AromaticContact CE2-CD1 3.54Å; F444-F555 HydrophobicContact CE2-CD1 3.54Å; F444-F555 AromaticContact CE2-CE1 3.74Å; F444-F555 HydrophobicContact CE2-CE1 3.74Å; F444-F555 HydrophobicContact CE2-CG 4.16Å; F444-V559 HydrophobicContact CE2-CG2 4.16Å; F444-V559 HydrophobicContact CZ-CG1 4.43Å; F444-V559 HydrophobicContact CZ-CG2 3.98Å; F444-F597 AromaticContact CD1-CZ 3.96Å; F444-F597 HydrophobicContact CD1-CZ 3.96Å; F444-F597 AromaticContact CD2-CZ 3.95Å; F444-F597 HydrophobicContact CD2-CZ 3.95Å; F444-F597 AromaticContact CE1-CE1 3.96Å; F444-F597 HydrophobicContact CE1-CE1 3.96Å; F444-F597 AromaticContact CE1-CZ 3.76Å; F444-F597 HydrophobicContact CE1-CZ 3.76Å; F444-F597 AromaticContact CE2-CE1 3.98Å; F444-F597 HydrophobicContact CE2-CE1 3.98Å; F444-F597 AromaticContact CE2-CZ 3.75Å; F444-F597 HydrophobicContact CE2-CZ 3.75Å; F444-F597 HydrophobicContact CG-CZ 4.06Å; F444-F597 AromaticContact CZ-CE1 3.61Å; F444-F597 HydrophobicContact CZ-CE1 3.61Å; F444-F597 AromaticContact CZ-CZ 3.65Å; F444-F597 HydrophobicContact CZ-CZ 3.65Å; F444-M602 HydrophobicContact CB-CB 4.19Å; F444-M602 HydrophobicContact CB-SD 4.09Å; F444-M602 HydrophobicContact CD1-CB 4.4Å; F444-F603 HydrophobicContact CE1-CB 4.44Å; F444-F603 AromaticContact CE1-CD2 3.92Å; F444-F603 HydrophobicContact CE1-CD2 3.92Å; F444-F603 HydrophobicContact CZ-CD2 4.29Å; F444-F606 HydrophobicContact CD1-CB 3.51Å; F444-F606 HydrophobicContact CD1-CD2 4.23Å; F444-F606 AromaticContact CD1-CG 3.87Å; F444-F606 HydrophobicContact CD1-CG 3.87Å; F444-F606 HydrophobicContact CE1-CB 3.5Å; F444-F606 VanDerWaalsContact CE1-CB 3.5Å; F444-F606 AromaticContact CE1-CD1 3.7Å; F444-F606 HydrophobicContact CE1-CD1 3.7Å; F444-F606 AromaticContact CE1-CD2 3.97Å; F444-F606 HydrophobicContact CE1-CD2 3.97Å; F444-F606 HydrophobicContact CE1-CE1 4.42Å; F444-F606 AromaticContact CE1-CG 3.45Å; F444-F606 HydrophobicContact CE1-CG 3.45Å; F444-F606 VanDerWaalsContact CE1-CG 3.45Å; F444-F606 HydrophobicContact CZ-CD1 4.19Å; F444-F606 HydrophobicContact CZ-CD2 4.35Å; F444-F606 HydrophobicContact CZ-CE1 4.48Å; F444-F606 HydrophobicContact CZ-CG 4.13Å
445	T	88.1	Confident	93.5	Very high	47 Å²	47	14.9 Å²	14.9	29%	0.288	8%	0.082	S	C	.	.	P	Polyproline II helix	trans	-93.9	129.8	174.8	-58.5	0	0	0	0	109.2	E203 Q447 M602	E203-T445 PolarHBondContact OE2-OG1 2.89Å; T445-Q447 WeakPolarHBondContact O-CG 3.44Å; T445-Q447 PolarHBondContact O-N 3.21Å; T445-Q447 PolarHBondContact O-NE2 3.37Å; T445-M602 WeakPolarHBondContact O-CG 3.32Å
446	W	91.3	Very high	93.5	Very high	5 Å²	5	15.1 Å²	15.1	2%	0.019	9%	0.086	C	C	.	.	P	Polyproline II helix	trans	-63.7	124.1	176	178.5	-106.1	0	0	0	111.5	R296 L414 E417 L438 L441 H448 T449 P467 M602	R296-W446 PolarHBondContact NH1-O 2.83Å; R296-W446 PolarHBondContact NH2-O 3.11Å; L414-W446 HydrophobicContact CB-CZ3 4.36Å; L414-W446 HydrophobicContact CD2-CE3 4.41Å; L414-W446 HydrophobicContact CD2-CH2 3.9Å; L414-W446 HydrophobicContact CD2-CZ2 4.41Å; L414-W446 HydrophobicContact CD2-CZ3 3.91Å; L414-W446 WeakPolarHBondContact O-CZ3 3.32Å; E417-W446 HydrophobicContact CB-CH2 4.49Å; E417-W446 HydrophobicContact CB-CZ3 4.37Å; E417-W446 HydrophobicContact CG-CZ3 4.15Å; L438-W446 HydrophobicContact CD1-CB 4.21Å; L438-W446 HydrophobicContact CD1-CG 4.32Å; L438-W446 HydrophobicContact CD2-CB 3.84Å; L438-W446 HydrophobicContact CD2-CD2 4.17Å; L438-W446 HydrophobicContact CD2-CG 3.83Å; L441-W446 HydrophobicContact CD1-CB 4.12Å; L441-W446 HydrophobicContact CD1-CE3 4.17Å; W446-H448 HydrophobicContact CZ2-CB 3.84Å; W446-H448 PolarHBondContact NE1-O 3.5Å; W446-T449 PolarHBondContact NE1-O 3.45Å; W446-T449 VanDerWaalsContact NE1-O 3.16Å; W446-P467 HydrophobicContact CH2-CB 4.17Å; W446-P467 HydrophobicContact CZ2-CB 4.29Å; W446-M602 HydrophobicContact CE3-CE 4.18Å; W446-M602 HydrophobicContact CE3-SD 4.03Å; W446-M602 HydrophobicContact CZ3-CE 4.36Å
447	Q	85.7	Confident	93.3	Very high	29 Å²	29	18.9 Å²	18.9	14%	0.136	11%	0.113	C	C	.	.			trans	-96.5	-14.8	-170.6	-60	-52.6	-29.7	0	0	115.4	Y199 T445 Q601 M602	Y199-Q447 HydrophobicContact CE2-CG 4.4Å; Y199-Q447 VanDerWaalsContact CE2-OE1 3.28Å; Y199-Q447 PolarHBondContact OH-NE2 2.86Å; Y199-Q447 PolarHBondContact OH-OE1 2.98Å; Y199-Q447 VanDerWaalsContact OH-OE1 3.11Å; T445-Q447 WeakPolarHBondContact O-CG 3.44Å; T445-Q447 PolarHBondContact O-N 3.21Å; T445-Q447 PolarHBondContact O-NE2 3.37Å; Q447-Q601 HydrophobicContact CB-CB 3.95Å; Q447-Q601 HydrophobicContact CG-CB 4.09Å; Q447-M602 HydrophobicContact CG-CG 4.44Å
448	H	89.1	Confident	93.2	Very high	29 Å²	29	19.2 Å²	19.2	13%	0.134	11%	0.114	C	C	.	.	S	Bend	trans	-97.8	-175.9	-172.5	-58.7	-73.4	0	0	0	112.1	R296 E417 W446 F450 P467	R296-H448 PolarHBondContact NH2-O 3.46Å; E417-H448 IonicContact OE1-CD2 3.85Å; E417-H448 IonicContact OE1-NE2 2.74Å; E417-H448 PolarHBondContact OE1-NE2 3.16Å; E417-H448 IonicContact OE2-CD2 3.31Å; E417-H448 IonicContact OE2-CE1 2.74Å; E417-H448 IonicContact OE2-NE2 2.74Å; E417-H448 PolarHBondContact OE2-NE2 2.81Å; W446-H448 HydrophobicContact CZ2-CB 3.84Å; W446-H448 PolarHBondContact NE1-O 3.5Å; H448-F450 PolarHBondContact O-N 2.77Å; H448-P467 HydrophobicContact CB-CB 3.99Å; H448-P467 WeakPolarHBondContact CB-O 3.5Å
449	T	91.9	Very high	93.2	Very high	45 Å²	45	18.2 Å²	18.2	28%	0.276	11%	0.109	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-51	129	174.6	-59.4	0	0	0	0	110.6	W446 V451 F468 L469	W446-T449 PolarHBondContact NE1-O 3.45Å; W446-T449 VanDerWaalsContact NE1-O 3.16Å; T449-V451 HydrophobicContact CG2-CG2 3.83Å; T449-F468 HydrophobicContact CG2-CB 4.24Å; T449-F468 WeakPolarHBondContact O-CA 3.2Å; T449-L469 PolarHBondContact O-N 3.27Å
450	F	93.8	Very high	93.3	Very high	4 Å²	4	22.2 Å²	22.2	2%	0.018	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	114.5	172.5	173.6	-125	0	0	0	108.9	V288 H435 L438 H448 P452 L469	V288-F450 HydrophobicContact CB-CD1 4.03Å; V288-F450 HydrophobicContact CB-CE1 4.37Å; V288-F450 HydrophobicContact CG1-CD1 4.29Å; V288-F450 HydrophobicContact CG2-CD1 3.84Å; V288-F450 HydrophobicContact CG2-CE1 3.72Å; H435-F450 AromaticContact CE1-CE1 3.74Å; H435-F450 AromaticContact ND1-CE1 3.79Å; L438-F450 HydrophobicContact CD1-CB 4.27Å; L438-F450 HydrophobicContact CD1-CD1 3.78Å; L438-F450 HydrophobicContact CD1-CD2 3.52Å; L438-F450 HydrophobicContact CD1-CE1 3.89Å; L438-F450 HydrophobicContact CD1-CE2 3.63Å; L438-F450 HydrophobicContact CD1-CG 3.58Å; L438-F450 HydrophobicContact CD1-CZ 3.81Å; L438-F450 HydrophobicContact CG-CD2 4.4Å; L438-F450 HydrophobicContact CG-CE2 4.23Å; H448-F450 PolarHBondContact O-N 2.77Å; F450-P452 HydrophobicContact CE1-CB 4.44Å; F450-P452 HydrophobicContact CE1-CG 3.85Å; F450-P452 HydrophobicContact CE2-CB 3.69Å; F450-P452 HydrophobicContact CE2-CG 3.95Å; F450-P452 HydrophobicContact CZ-CB 3.62Å; F450-P452 HydrophobicContact CZ-CG 3.51Å; F450-L469 WeakPolarHBondContact CA-O 3.29Å; F450-L469 HydrophobicContact CD2-CB 4.09Å; F450-L469 HydrophobicContact CD2-CD2 3.95Å; F450-L469 HydrophobicContact CD2-CG 4.03Å; F450-L469 HydrophobicContact CE2-CD2 3.79Å; F450-L469 HydrophobicContact CE2-CG 4.15Å
451	V	95.8	Very high	93.1	Very high	12 Å²	12	25 Å²	25	7%	0.073	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	78.2	-176.8	-175.3	0	0	0	0	108.1	F266 T449 V453 L454 L469 I470 G471	F266-V451 HydrophobicContact CE1-CG1 3.58Å; F266-V451 HydrophobicContact CZ-CG1 4.27Å; T449-V451 HydrophobicContact CG2-CG2 3.83Å; V451-V453 WeakPolarHBondContact CG1-O 3.42Å; V451-V453 PolarHBondContact O-N 3.04Å; V451-L454 HydrophobicContact CG1-CB 4.21Å; V451-L454 HydrophobicContact CG1-CD1 3.98Å; V451-L469 PolarHBondContact N-O 3.23Å; V451-I470 HydrophobicContact CB-CG2 4.04Å; V451-I470 CarbonylContact O-C 3.6Å; V451-I470 VanDerWaalsContact O-CA 3.24Å; V451-I470 WeakPolarHBondContact O-CA 3.35Å; V451-G471 PolarHBondContact O-N 3.41Å
452	P	95.3	Very high	93	Very high	2 Å²	2	25 Å²	25	1%	0.013	14%	0.141	C	C	.	.	S	Bend	trans	-68.6	-8.2	-169.9	27.9	-35.5	0	0	0	114	V288 L430 F450 G471	V288-P452 HydrophobicContact CG2-CG 4.29Å; L430-P452 WeakPolarHBondContact CB-O 3.47Å; F450-P452 HydrophobicContact CE1-CB 4.44Å; F450-P452 HydrophobicContact CE1-CG 3.85Å; F450-P452 HydrophobicContact CE2-CB 3.69Å; F450-P452 HydrophobicContact CE2-CG 3.95Å; F450-P452 HydrophobicContact CZ-CB 3.62Å; F450-P452 HydrophobicContact CZ-CG 3.51Å; P452-G471 WeakPolarHBondContact O-CA 3.43Å
453	V	96.9	Very high	93	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.012	15%	0.148	C	C	.	.	S	Bend	trans	-139	112.9	166.2	169.5	0	0	0	0	107.2	F266 P269 F285 F287 L427 L430 V451 G471	F266-V453 VanDerWaalsContact CD1-O 3.25Å; F266-V453 WeakPolarHBondContact CD1-O 3.23Å; F266-V453 VanDerWaalsContact CE1-O 3.32Å; F266-V453 WeakPolarHBondContact CE1-O 3.26Å; P269-V453 HydrophobicContact CB-CG1 3.86Å; P269-V453 HydrophobicContact CG-CG1 3.69Å; F285-V453 HydrophobicContact CD2-CG2 4.2Å; F287-V453 HydrophobicContact CB-CB 4.19Å; L427-V453 HydrophobicContact CB-CG2 4.49Å; L427-V453 HydrophobicContact CD2-CG1 3.71Å; L427-V453 HydrophobicContact CD2-CG2 4.17Å; L430-V453 HydrophobicContact CB-CG2 4.2Å; V451-V453 WeakPolarHBondContact CG1-O 3.42Å; V451-V453 PolarHBondContact O-N 3.04Å; V453-G471 CarbonylContact C-O 3.54Å; V453-G471 WeakPolarHBondContact CA-O 3.39Å
454	L	96.7	Very high	92.9	Very high	3 Å²	3	26.1 Å²	26.1	2%	0.016	16%	0.155	C	C	.	.			trans	-106.3	125.8	179.4	-176.3	67	0	0	0	109.9	V451 M458 L459 I461 I470 G471 V472	V451-L454 HydrophobicContact CG1-CB 4.21Å; V451-L454 HydrophobicContact CG1-CD1 3.98Å; L454-M458 HydrophobicContact CD1-CB 3.89Å; L454-M458 HydrophobicContact CG-CB 4.49Å; L454-L459 HydrophobicContact CD2-CD2 4.24Å; L454-I461 HydrophobicContact CD1-CB 4.25Å; L454-I461 HydrophobicContact CD1-CD1 4.07Å; L454-I470 HydrophobicContact CD2-CD1 3.82Å; L454-G471 WeakPolarHBondContact CB-O 3.13Å; L454-G471 PolarHBondContact N-O 3.26Å; L454-V472 HydrophobicContact CB-CG1 4.27Å; L454-V472 HydrophobicContact CD2-CG1 4.22Å
455	P	95.7	Very high	92.6	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.006	18%	0.183	C	C	.	.			trans	-64.7	147.5	176.5	-24.9	36	0	0	0	113	K265 F266 P269 S457 M458	K265-P455 HydrophobicContact CB-CG 4.27Å; K265-P455 WeakPolarHBondContact O-CG 3.34Å; F266-P455 HydrophobicContact CD1-CG 3.83Å; F266-P455 HydrophobicContact CD2-CG 4.17Å; F266-P455 HydrophobicContact CE1-CG 4Å; F266-P455 HydrophobicContact CE2-CG 4.33Å; F266-P455 HydrophobicContact CG-CG 3.91Å; F266-P455 HydrophobicContact CZ-CG 4.24Å; P269-P455 HydrophobicContact CB-CB 4.21Å; P269-P455 HydrophobicContact CB-CG 4.26Å; P455-S457 PolarHBondContact O-N 3.4Å; P455-S457 VanDerWaalsContact O-N 3.16Å; P455-M458 HydrophobicContact CB-CG 4.33Å; P455-M458 HydrophobicContact CG-CE 4.16Å; P455-M458 HydrophobicContact CG-CG 4.47Å; P455-M458 HydrophobicContact CG-SD 4.13Å; P455-M458 PolarHBondContact O-N 3.06Å
456	A	93.6	Very high	92.7	Very high	17 Å²	17	30.7 Å²	30.7	14%	0.14	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-54.8	-32.7	171.5	0	0	0	0	0	113	P269 P271 M458 L459	P269-A456 PolarHBondContact O-N 3.06Å; P271-A456 HydrophobicContact CB-CB 3.66Å; P271-A456 HydrophobicContact CG-CB 4.39Å; A456-M458 PolarHBondContact O-N 2.96Å; A456-M458 VanDerWaalsContact O-N 3.1Å; A456-L459 WeakPolarHBondContact O-CG 3.24Å
457	S	91.8	Very high	92.8	Very high	80 Å²	80	30.5 Å²	30.5	56%	0.559	18%	0.184	S	C	*	.	G	3₁₀ helix	trans	-75.1	12.9	175.2	64.5	0	0	0	0	115.4	P455	P455-S457 PolarHBondContact O-N 3.4Å; P455-S457 VanDerWaalsContact O-N 3.16Å
458	M	94.3	Very high	93.2	Very high	7 Å²	7	29.2 Å²	29.2	3%	0.034	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-145.1	22.9	-178	-57.1	-173.9	-163.6	0	0	113.3	M262 K265 F266 L454 P455 A456 D460 I461	M262-M458 HydrophobicContact CE-CE 3.4Å; M262-M458 VanDerWaalsContact CE-CE 3.4Å; M262-M458 HydrophobicContact CE-SD 3.73Å; M262-M458 HydrophobicContact SD-CE 3.6Å; M262-M458 VanDerWaalsContact SD-CE 3.6Å; K265-M458 HydrophobicContact CB-CE 3.72Å; K265-M458 HydrophobicContact CD-CE 3.28Å; K265-M458 HydrophobicContact CG-CE 4.16Å; F266-M458 HydrophobicContact CD2-CE 4.16Å; F266-M458 HydrophobicContact CE2-CE 3.62Å; F266-M458 HydrophobicContact CE2-SD 3.56Å; F266-M458 VanDerWaalsContact CE2-SD 3.56Å; F266-M458 HydrophobicContact CZ-CE 4.29Å; F266-M458 HydrophobicContact CZ-SD 3.62Å; L454-M458 HydrophobicContact CD1-CB 3.89Å; L454-M458 HydrophobicContact CG-CB 4.49Å; P455-M458 HydrophobicContact CB-CG 4.33Å; P455-M458 HydrophobicContact CG-CE 4.16Å; P455-M458 HydrophobicContact CG-CG 4.47Å; P455-M458 HydrophobicContact CG-SD 4.13Å; P455-M458 PolarHBondContact O-N 3.06Å; A456-M458 PolarHBondContact O-N 2.96Å; A456-M458 VanDerWaalsContact O-N 3.1Å; M458-D460 VanDerWaalsContact CA-OD1 3.24Å; M458-D460 WeakPolarHBondContact CA-OD1 3.5Å; M458-D460 PolarHBondContact O-N 3.49Å; M458-I461 HydrophobicContact CB-CD1 3.98Å; M458-I461 HydrophobicContact CB-CG1 4.35Å; M458-I461 WeakPolarHBondContact O-CB 3.43Å; M458-I461 WeakPolarHBondContact O-CG1 3.44Å; M458-I461 PolarHBondContact O-N 2.67Å; M458-I461 VanDerWaalsContact O-N 3.15Å; M458-I461 HydrophobicContact SD-CD1 4.33Å
459	L	95.4	Very high	93.6	Very high	4 Å²	4	27.9 Å²	27.9	2%	0.021	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-65.9	-20.6	-179	-62.9	172.8	0	0	0	112.6	L454 A456 I461 S462 V472 C476 E479 V480 L483	L454-L459 HydrophobicContact CD2-CD2 4.24Å; A456-L459 WeakPolarHBondContact O-CG 3.24Å; L459-I461 PolarHBondContact O-N 2.65Å; L459-S462 WeakPolarHBondContact O-CB 3.46Å; L459-S462 PolarHBondContact O-N 2.75Å; L459-S462 PolarHBondContact O-OG 3.19Å; L459-V472 HydrophobicContact CD2-CG1 3.86Å; L459-C476 HydrophobicContact CD1-CB 3.95Å; L459-C476 HydrophobicContact CD2-CB 4.24Å; L459-E479 HydrophobicContact CD1-CB 4.07Å; L459-E479 HydrophobicContact CD1-CG 3.88Å; L459-V480 HydrophobicContact CD1-CG2 4.2Å; L459-V480 HydrophobicContact CD2-CG2 3.83Å; L459-V480 HydrophobicContact CG-CG2 4.4Å; L459-L483 HydrophobicContact CB-CD1 4Å; L459-L483 WeakPolarHBondContact O-CD1 2.93Å
460	D	93.7	Very high	93.9	Very high	111 Å²	111	25.8 Å²	25.8	59%	0.594	16%	0.159	S	C	*	.	G	3₁₀ helix	trans	-56.1	-25.6	170.7	65	-41	0	0	0	113.7	M458 S462 C463	M458-D460 VanDerWaalsContact CA-OD1 3.24Å; M458-D460 WeakPolarHBondContact CA-OD1 3.5Å; M458-D460 PolarHBondContact O-N 3.49Å; D460-S462 PolarHBondContact O-N 3.32Å; D460-C463 WeakPolarHBondContact O-CB 3.48Å; D460-C463 PolarHBondContact O-N 3.43Å
461	I	92.1	Very high	94.1	Very high	62 Å²	62	25.7 Å²	25.7	32%	0.318	16%	0.159	S	C	.	.	G	3₁₀ helix	trans	-60.3	-27.9	172.9	-63.3	-176	0	0	0	111.8	L454 M458 L459 C463 S464	L454-I461 HydrophobicContact CD1-CB 4.25Å; L454-I461 HydrophobicContact CD1-CD1 4.07Å; M458-I461 HydrophobicContact CB-CD1 3.98Å; M458-I461 HydrophobicContact CB-CG1 4.35Å; M458-I461 WeakPolarHBondContact O-CB 3.43Å; M458-I461 WeakPolarHBondContact O-CG1 3.44Å; M458-I461 PolarHBondContact O-N 2.67Å; M458-I461 VanDerWaalsContact O-N 3.15Å; M458-I461 HydrophobicContact SD-CD1 4.33Å; L459-I461 PolarHBondContact O-N 2.65Å; I461-C463 PolarHBondContact O-N 2.98Å; I461-S464 WeakPolarHBondContact O-CB 3.37Å; I461-S464 PolarHBondContact O-N 3.01Å; I461-S464 VanDerWaalsContact O-N 3.16Å
462	S	94.1	Very high	94.2	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-69.6	-17.5	176.4	71	0	0	0	0	113.6	L459 D460 S464 F468 I485	L459-S462 WeakPolarHBondContact O-CB 3.46Å; L459-S462 PolarHBondContact O-N 2.75Å; L459-S462 PolarHBondContact O-OG 3.19Å; D460-S462 PolarHBondContact O-N 3.32Å; S462-S464 PolarHBondContact O-N 3.34Å; S462-F468 VanDerWaalsContact O-CE1 3.26Å; S462-F468 WeakPolarHBondContact O-CE1 3.48Å; S462-F468 VanDerWaalsContact O-CZ 3.23Å; S462-F468 WeakPolarHBondContact O-CZ 3.34Å; S462-I485 WeakPolarHBondContact O-CG2 3.07Å; S462-I485 VanDerWaalsContact OG-CD1 3.23Å; S462-I485 WeakPolarHBondContact OG-CD1 3.39Å
463	C	93.4	Very high	94.3	Very high	50 Å²	50	25.5 Å²	25.5	34%	0.338	16%	0.158	S	C	.	.	G	3₁₀ helix	trans	-77.8	5.1	171.7	-56.8	0	0	0	0	113.2	D460 I461	D460-C463 WeakPolarHBondContact O-CB 3.48Å; D460-C463 PolarHBondContact O-N 3.43Å; I461-C463 PolarHBondContact O-N 2.98Å
464	S	89.6	Confident	94.3	Very high	34 Å²	34	27.3 Å²	27.3	24%	0.238	17%	0.172	C	C	.	.			trans	-62.7	131.5	179	-175.7	0	0	0	0	111.4	R419 I461 S462 T466	R419-S464 PolarHBondContact NE-O 2.64Å; I461-S464 WeakPolarHBondContact O-CB 3.37Å; I461-S464 PolarHBondContact O-N 3.01Å; I461-S464 VanDerWaalsContact O-N 3.16Å; S462-S464 PolarHBondContact O-N 3.34Å; S464-T466 PolarHBondContact O-N 3.47Å; S464-T466 PolarHBondContact OG-N 3.4Å; S464-T466 PolarHBondContact OG-OG1 3.01Å
465	P	87.3	Confident	94.2	Very high	94 Å²	94	31 Å²	31	61%	0.61	20%	0.196	S	C	*	.	S	Bend	trans	-72	-12.7	174.5	30.7	-35.8	0	0	0	112.7	T192 R419	T192-P465 WeakPolarHBondContact CG2-O 3.34Å; R419-P465 PolarHBondContact NE-O 3.2Å; R419-P465 PolarHBondContact NH2-O 2.84Å
466	T	88.9	Confident	94.1	Very high	53 Å²	53	31 Å²	31	33%	0.325	20%	0.197	S	C	.	.	S	Bend	trans	-74.8	162.8	174.2	66.8	0	0	0	0	111.4	S464 F468	S464-T466 PolarHBondContact O-N 3.47Å; S464-T466 PolarHBondContact OG-N 3.4Å; S464-T466 PolarHBondContact OG-OG1 3.01Å; T466-F468 WeakPolarHBondContact O-CD1 3.25Å
467	P	93.3	Very high	94.2	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.013	20%	0.196	C	C	.	.			trans	-60.9	156	164.9	-20	34.9	0	0	0	111.2	T192 L193 E417 W446 H448	T192-P467 HydrophobicContact CG2-CG 3.86Å; L193-P467 HydrophobicContact CD2-CG 3.46Å; L193-P467 VanDerWaalsContact CD2-CG 3.46Å; E417-P467 HydrophobicContact CB-CB 4.26Å; E417-P467 HydrophobicContact CB-CG 4.08Å; E417-P467 VanDerWaalsContact O-CB 3.23Å; E417-P467 WeakPolarHBondContact O-CB 3.16Å; E417-P467 WeakPolarHBondContact O-CG 3.32Å; W446-P467 HydrophobicContact CH2-CB 4.17Å; W446-P467 HydrophobicContact CZ2-CB 4.29Å; H448-P467 HydrophobicContact CB-CB 3.99Å; H448-P467 WeakPolarHBondContact CB-O 3.5Å
468	F	95.3	Very high	94.4	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.009	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161	156.4	172.6	54.2	-108.3	0	0	0	111	R419 V420 I421 T449 S462 T466 I470 V488	R419-F468 HydrophobicContact CB-CD1 4.38Å; R419-F468 HydrophobicContact CB-CD2 4.37Å; R419-F468 HydrophobicContact CB-CE1 3.93Å; R419-F468 HydrophobicContact CB-CE2 3.9Å; R419-F468 HydrophobicContact CB-CZ 3.68Å; R419-F468 HydrophobicContact CG-CD1 4.05Å; R419-F468 HydrophobicContact CG-CE1 3.7Å; R419-F468 HydrophobicContact CG-CZ 3.99Å; V420-F468 PolarHBondContact N-O 3.04Å; I421-F468 HydrophobicContact CD1-CE2 4.38Å; I421-F468 HydrophobicContact CG1-CE2 3.82Å; T449-F468 HydrophobicContact CG2-CB 4.24Å; T449-F468 WeakPolarHBondContact O-CA 3.2Å; S462-F468 VanDerWaalsContact O-CE1 3.26Å; S462-F468 WeakPolarHBondContact O-CE1 3.48Å; S462-F468 VanDerWaalsContact O-CZ 3.23Å; S462-F468 WeakPolarHBondContact O-CZ 3.34Å; T466-F468 WeakPolarHBondContact O-CD1 3.25Å; F468-I470 HydrophobicContact CB-CG2 4.16Å; F468-I470 HydrophobicContact CD2-CB 4.38Å; F468-I470 HydrophobicContact CD2-CD1 4.05Å; F468-I470 HydrophobicContact CD2-CG1 3.8Å; F468-I470 HydrophobicContact CD2-CG2 3.9Å; F468-I470 HydrophobicContact CE2-CD1 3.78Å; F468-I470 HydrophobicContact CE2-CG1 3.85Å; F468-I470 HydrophobicContact CG-CG2 4.23Å; F468-I470 HydrophobicContact CZ-CD1 4.4Å; F468-V488 HydrophobicContact CE2-CG2 4.48Å
469	L	97.8	Very high	94.5	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	115.4	157.7	173.7	63.3	0	0	0	108	L414 V420 F422 V437 L438 T449 F450 V451	L414-L469 HydrophobicContact CD2-CB 4.24Å; L414-L469 HydrophobicContact CD2-CD2 4.44Å; V420-L469 HydrophobicContact CB-CD1 3.86Å; V420-L469 HydrophobicContact CG1-CD1 3.76Å; V420-L469 WeakPolarHBondContact O-CA 3.5Å; F422-L469 HydrophobicContact CD1-CD1 4.31Å; F422-L469 HydrophobicContact CD2-CD1 4.42Å; F422-L469 HydrophobicContact CE1-CD1 4.27Å; F422-L469 HydrophobicContact CE2-CD1 4.37Å; F422-L469 HydrophobicContact CG-CD1 4.41Å; F422-L469 HydrophobicContact CZ-CD1 4.31Å; V437-L469 HydrophobicContact CG1-CD2 3.6Å; L438-L469 HydrophobicContact CD1-CD2 4.29Å; L438-L469 HydrophobicContact CD2-CD2 3.57Å; L438-L469 HydrophobicContact CG-CD2 3.72Å; T449-L469 PolarHBondContact O-N 3.27Å; F450-L469 WeakPolarHBondContact CA-O 3.29Å; F450-L469 HydrophobicContact CD2-CB 4.09Å; F450-L469 HydrophobicContact CD2-CD2 3.95Å; F450-L469 HydrophobicContact CD2-CG 4.03Å; F450-L469 HydrophobicContact CE2-CD2 3.79Å; F450-L469 HydrophobicContact CE2-CG 4.15Å; V451-L469 PolarHBondContact N-O 3.23Å
470	I	97.8	Very high	94.5	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.01	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	153.1	179.5	65.2	176.3	0	0	0	111.6	V420 I421 F422 V451 L454 F468	V420-I470 PolarHBondContact O-N 3.48Å; I421-I470 CarbonylContact C-O 3.54Å; I421-I470 WeakPolarHBondContact CA-O 3.5Å; I421-I470 HydrophobicContact CB-CG1 4.29Å; I421-I470 HydrophobicContact CD1-CD1 4.09Å; I421-I470 HydrophobicContact CG1-CD1 3.9Å; I421-I470 HydrophobicContact CG1-CG1 3.79Å; I421-I470 HydrophobicContact CG2-CG1 4.27Å; F422-I470 PolarHBondContact N-O 2.9Å; V451-I470 HydrophobicContact CB-CG2 4.04Å; V451-I470 CarbonylContact O-C 3.6Å; V451-I470 VanDerWaalsContact O-CA 3.24Å; V451-I470 WeakPolarHBondContact O-CA 3.35Å; L454-I470 HydrophobicContact CD2-CD1 3.82Å; F468-I470 HydrophobicContact CB-CG2 4.16Å; F468-I470 HydrophobicContact CD2-CB 4.38Å; F468-I470 HydrophobicContact CD2-CD1 4.05Å; F468-I470 HydrophobicContact CD2-CG1 3.8Å; F468-I470 HydrophobicContact CD2-CG2 3.9Å; F468-I470 HydrophobicContact CE2-CD1 3.78Å; F468-I470 HydrophobicContact CE2-CG1 3.85Å; F468-I470 HydrophobicContact CG-CG2 4.23Å; F468-I470 HydrophobicContact CZ-CD1 4.4Å
471	G	98.2	Very high	94.6	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.01	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	128.2	173.5	0	0	0	0	0	111.6	F422 V451 P452 V453 L454	F422-G471 CarbonylContact O-C 3.58Å; F422-G471 WeakPolarHBondContact O-CA 3.4Å; V451-G471 PolarHBondContact O-N 3.41Å; P452-G471 WeakPolarHBondContact O-CA 3.43Å; V453-G471 CarbonylContact C-O 3.54Å; V453-G471 WeakPolarHBondContact CA-O 3.39Å; L454-G471 WeakPolarHBondContact CB-O 3.13Å; L454-G471 PolarHBondContact N-O 3.26Å
472	V	97.6	Very high	94.8	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	145.8	178.6	-60.9	0	0	0	0	111.1	I421 F422 V423 A424 L430 L454 L459 V480	I421-V472 HydrophobicContact CG2-CG1 4.29Å; I421-V472 HydrophobicContact CG2-CG2 3.7Å; F422-V472 PolarHBondContact O-N 2.61Å; V423-V472 WeakPolarHBondContact CA-O 3.46Å; V423-V472 HydrophobicContact CB-CG2 4.44Å; V423-V472 HydrophobicContact CG1-CG2 4.37Å; V423-V472 HydrophobicContact CG2-CG2 3.9Å; A424-V472 PolarHBondContact N-O 3.18Å; L430-V472 WeakPolarHBondContact CD1-O 3.46Å; L454-V472 HydrophobicContact CB-CG1 4.27Å; L454-V472 HydrophobicContact CD2-CG1 4.22Å; L459-V472 HydrophobicContact CD2-CG1 3.86Å; V472-V480 HydrophobicContact CG1-CG2 4.34Å; V472-V480 HydrophobicContact CG2-CG2 4.47Å
473	L	96.8	Very high	94.9	Very high	11 Å²	11	42 Å²	42	6%	0.058	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	140.5	172.5	-78.4	172.2	0	0	0	110.4	P269 D270 A424 L427 L430 P475 C476	P269-L473 HydrophobicContact CG-CD1 4.28Å; D270-L473 HydrophobicContact CB-CD1 4.06Å; A424-L473 CarbonylContact O-C 3.52Å; A424-L473 WeakPolarHBondContact O-CA 3.31Å; L427-L473 HydrophobicContact CD2-CD1 3.92Å; L427-L473 HydrophobicContact CD2-CD2 3.67Å; L427-L473 HydrophobicContact CD2-CG 3.8Å; L427-L473 HydrophobicContact CG-CD2 4.29Å; L430-L473 HydrophobicContact CD1-CD2 4.29Å; L430-L473 HydrophobicContact CD1-CG 4.46Å; L473-P475 VanDerWaalsContact C-CD 3.44Å; L473-P475 VanDerWaalsContact C-N 3.34Å; L473-C476 VanDerWaalsContact O-CB 3.27Å; L473-C476 WeakPolarHBondContact O-CB 3.49Å; L473-C476 PolarHBondContact O-N 3.22Å
474	A	96.1	Very high	94.9	Very high	39 Å²	39	44.8 Å²	44.8	32%	0.322	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-53.5	-35.8	-176.7	0	0	0	0	0	115.6	V423 A424 C476 L477	V423-A474 HydrophobicContact CG1-CB 4.03Å; A424-A474 PolarHBondContact O-N 3.28Å; A474-C476 PolarHBondContact O-N 3.3Å; A474-L477 VanDerWaalsContact O-CB 3.3Å; A474-L477 WeakPolarHBondContact O-CB 3.46Å; A474-L477 PolarHBondContact O-N 3.32Å; A474-L477 VanDerWaalsContact O-N 3.08Å
475	P	94.8	Very high	95	Very high	80 Å²	80	44.5 Å²	44.5	52%	0.519	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-60.2	-20.7	171.8	-27.2	37.3	0	0	0	115.4	P271 L473	P271-P475 HydrophobicContact CG-CB 4.16Å; L473-P475 VanDerWaalsContact C-CD 3.44Å; L473-P475 VanDerWaalsContact C-N 3.34Å
476	C	95.2	Very high	95	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.014	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-84.9	-11.1	176.3	-54.2	0	0	0	0	113.1	L459 L473 A474 P478 E479 V480	L459-C476 HydrophobicContact CD1-CB 3.95Å; L459-C476 HydrophobicContact CD2-CB 4.24Å; L473-C476 VanDerWaalsContact O-CB 3.27Å; L473-C476 WeakPolarHBondContact O-CB 3.49Å; L473-C476 PolarHBondContact O-N 3.22Å; A474-C476 PolarHBondContact O-N 3.3Å; C476-P478 VanDerWaalsContact C-CD 3.47Å; C476-E479 PolarHBondContact O-N 3.42Å; C476-V480 WeakPolarHBondContact O-CG2 3.39Å; C476-V480 PolarHBondContact O-N 3.2Å; C476-V480 VanDerWaalsContact O-N 3.08Å
477	L	95.6	Very high	95	Very high	25 Å²	25	48.6 Å²	48.6	13%	0.131	26%	0.263	C	S	.	.	H	α-helix	trans	-57.1	-40.5	-175.5	-179.9	60.9	0	0	0	113.8	V423 A474 E479 V480 L481 I490 V499	V423-L477 HydrophobicContact CG1-CB 4.28Å; V423-L477 HydrophobicContact CG1-CD2 4.35Å; V423-L477 HydrophobicContact CG2-CD1 4.11Å; A474-L477 VanDerWaalsContact O-CB 3.3Å; A474-L477 WeakPolarHBondContact O-CB 3.46Å; A474-L477 PolarHBondContact O-N 3.32Å; A474-L477 VanDerWaalsContact O-N 3.08Å; L477-E479 VanDerWaalsContact C-N 3.34Å; L477-E479 PolarHBondContact O-N 2.92Å; L477-V480 PolarHBondContact O-N 2.79Å; L477-L481 HydrophobicContact CD1-CD1 4.1Å; L477-L481 HydrophobicContact CD1-CD2 4.36Å; L477-L481 HydrophobicContact CD1-CG 3.97Å; L477-L481 HydrophobicContact CG-CD1 3.97Å; L477-L481 HydrophobicContact CG-CG 4.3Å; L477-L481 VanDerWaalsContact O-CG 3.3Å; L477-L481 WeakPolarHBondContact O-CG 3.27Å; L477-L481 PolarHBondContact O-N 2.89Å; L477-I490 HydrophobicContact CD1-CG2 4.14Å; L477-V499 HydrophobicContact CD1-CG1 4.48Å; L477-V499 HydrophobicContact CD2-CG1 4.4Å; L477-V499 HydrophobicContact CD2-CG2 4.34Å
478	P	95.8	Very high	95.1	Very high	82 Å²	82	48.7 Å²	48.7	53%	0.532	26%	0.264	S	S	.	.	H	α-helix	trans	-59.1	-44.2	177.5	-24.5	35.6	0	0	0	112.7	C476 L481 E482	C476-P478 VanDerWaalsContact C-CD 3.47Å; P478-L481 PolarHBondContact O-N 3.2Å; P478-E482 PolarHBondContact O-N 2.82Å
479	E	95.4	Very high	95.3	Very high	100 Å²	100	48.6 Å²	48.6	47%	0.467	26%	0.263	S	S	.	.	H	α-helix	trans	-65.6	-40	178.1	-171.4	174.2	178.6	0	0	111.4	L459 C476 L477 L481 E482 L483	L459-E479 HydrophobicContact CD1-CB 4.07Å; L459-E479 HydrophobicContact CD1-CG 3.88Å; C476-E479 PolarHBondContact O-N 3.42Å; L477-E479 VanDerWaalsContact C-N 3.34Å; L477-E479 PolarHBondContact O-N 2.92Å; E479-L481 VanDerWaalsContact C-N 3.27Å; E479-L481 PolarHBondContact O-N 2.64Å; E479-E482 PolarHBondContact O-N 2.81Å; E479-E482 VanDerWaalsContact O-N 3.15Å; E479-L483 PolarHBondContact O-N 2.88Å
480	V	96.1	Very high	95.3	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.012	26%	0.263	C	S	.	.	H	α-helix	trans	-62.6	-31.2	173.5	173.5	0	0	0	0	112.6	I421 L459 V472 C476 L477 I485 I490	I421-V480 HydrophobicContact CD1-CG1 3.82Å; L459-V480 HydrophobicContact CD1-CG2 4.2Å; L459-V480 HydrophobicContact CD2-CG2 3.83Å; L459-V480 HydrophobicContact CG-CG2 4.4Å; V472-V480 HydrophobicContact CG1-CG2 4.34Å; V472-V480 HydrophobicContact CG2-CG2 4.47Å; C476-V480 WeakPolarHBondContact O-CG2 3.39Å; C476-V480 PolarHBondContact O-N 3.2Å; C476-V480 VanDerWaalsContact O-N 3.08Å; L477-V480 PolarHBondContact O-N 2.79Å; V480-I485 HydrophobicContact CG1-CD1 3.86Å; V480-I485 WeakPolarHBondContact O-CD1 3.48Å; V480-I490 HydrophobicContact CG1-CD1 4.17Å
481	L	96.4	Very high	95.3	Very high	83 Å²	83	48.5 Å²	48.5	44%	0.435	26%	0.263	S	S	.	.	H	α-helix	trans	-80.9	-14.6	176.9	-66.7	172.6	0	0	0	113.6	L477 P478 E479 I490 V499 I500	L477-L481 HydrophobicContact CD1-CD1 4.1Å; L477-L481 HydrophobicContact CD1-CD2 4.36Å; L477-L481 HydrophobicContact CD1-CG 3.97Å; L477-L481 HydrophobicContact CG-CD1 3.97Å; L477-L481 HydrophobicContact CG-CG 4.3Å; L477-L481 VanDerWaalsContact O-CG 3.3Å; L477-L481 WeakPolarHBondContact O-CG 3.27Å; L477-L481 PolarHBondContact O-N 2.89Å; P478-L481 PolarHBondContact O-N 3.2Å; E479-L481 VanDerWaalsContact C-N 3.27Å; E479-L481 PolarHBondContact O-N 2.64Å; L481-I490 HydrophobicContact CD2-CD1 4.17Å; L481-V499 HydrophobicContact CD1-CG1 4.29Å; L481-V499 HydrophobicContact CD2-CG1 4.16Å; L481-I500 HydrophobicContact CD2-CD1 3.76Å; L481-I500 HydrophobicContact CD2-CG1 4.11Å
482	E	96.1	Very high	95.3	Very high	170 Å²	170	49.1 Å²	49.1	79%	0.794	27%	0.266	S	S	*	.	H	α-helix	trans	-88.4	-13.9	172.6	-70.4	179.6	176.1	0	0	112.7	P478 E479	P478-E482 PolarHBondContact O-N 2.82Å; E479-E482 PolarHBondContact O-N 2.81Å; E479-E482 VanDerWaalsContact O-N 3.15Å
483	L	95.6	Very high	95.4	Very high	49 Å²	49	49.3 Å²	49.3	26%	0.257	27%	0.267	S	S	.	.	S	Bend	trans	-76.8	146.4	177.2	-71.5	174.8	0	0	0	112.4	L459 E479 I485	L459-L483 HydrophobicContact CB-CD1 4Å; L459-L483 WeakPolarHBondContact O-CD1 2.93Å; E479-L483 PolarHBondContact O-N 2.88Å; L483-I485 HydrophobicContact CB-CD1 4.04Å; L483-I485 HydrophobicContact CB-CG1 3.8Å; L483-I485 PolarHBondContact O-N 3.46Å
484	P	93.1	Very high	95.3	Very high	110 Å²	110	52.2 Å²	52.2	71%	0.714	29%	0.287	S	S	*	.			trans	-78.4	65.3	-179.7	34.2	-37.2	0	0	0	111.8
485	I	91.8	Very high	95.3	Very high	28 Å²	28	53 Å²	53	14%	0.144	29%	0.293	C	S	.	.			trans	-95.4	107.8	-178.2	-44.3	170	0	0	0	110	I421 S462 V480 L483 V488	I421-I485 HydrophobicContact CD1-CD1 4.08Å; S462-I485 WeakPolarHBondContact O-CG2 3.07Å; S462-I485 VanDerWaalsContact OG-CD1 3.23Å; S462-I485 WeakPolarHBondContact OG-CD1 3.39Å; V480-I485 HydrophobicContact CG1-CD1 3.86Å; V480-I485 WeakPolarHBondContact O-CD1 3.48Å; L483-I485 HydrophobicContact CB-CD1 4.04Å; L483-I485 HydrophobicContact CB-CG1 3.8Å; L483-I485 PolarHBondContact O-N 3.46Å; I485-V488 HydrophobicContact CB-CG1 4.05Å; I485-V488 HydrophobicContact CG2-CB 3.71Å; I485-V488 HydrophobicContact CG2-CG1 3.56Å; I485-V488 HydrophobicContact CG2-CG2 4.16Å
486	E	87.6	Confident	95.4	Very high	148 Å²	148	51.1 Å²	51.1	69%	0.692	28%	0.279	S	S	*	.			trans	-83.7	152.8	174.9	-62.7	-178.7	164.7	0	0	111.6	R419 V488	R419-E486 PolarHBondContact NH1-O 2.8Å; E486-V488 VanDerWaalsContact C-N 3.34Å; E486-V488 PolarHBondContact O-N 3.41Å
487	E	88.9	Confident	95.5	Very high	85 Å²	85	57 Å²	57	40%	0.397	30%	0.301	S	S	.	.	S	Bend	trans	50.2	44.5	166.7	-55.3	174	121.8	0	0	115.3	Y188 R419 L502	Y188-E487 HydrophobicContact CD2-CB 4.17Å; Y188-E487 VanDerWaalsContact CD2-CD 3.46Å; Y188-E487 HydrophobicContact CD2-CG 4.39Å; Y188-E487 WeakPolarHBondContact CD2-OE1 3.29Å; Y188-E487 VanDerWaalsContact CD2-OE2 3.31Å; Y188-E487 WeakPolarHBondContact CD2-OE2 3.42Å; Y188-E487 HydrophobicContact CE2-CB 3.83Å; Y188-E487 HydrophobicContact CE2-CG 4.49Å; Y188-E487 WeakPolarHBondContact CE2-OE2 3.47Å; R419-E487 IonicContact NH1-OE2 3.18Å; E487-L502 HydrophobicContact CB-CD2 4.19Å
488	V	95.8	Very high	95.6	Very high	4 Å²	4	57.4 Å²	57.4	2%	0.024	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	137.3	-176.4	63.3	0	0	0	0	112.6	R419 I421 F468 I485 E486 I490 I500	R419-V488 HydrophobicContact CB-CB 4.17Å; R419-V488 HydrophobicContact CB-CG2 4.08Å; I421-V488 HydrophobicContact CD1-CG2 3.85Å; I421-V488 HydrophobicContact CG1-CG2 3.71Å; F468-V488 HydrophobicContact CE2-CG2 4.48Å; I485-V488 HydrophobicContact CB-CG1 4.05Å; I485-V488 HydrophobicContact CG2-CB 3.71Å; I485-V488 HydrophobicContact CG2-CG1 3.56Å; I485-V488 HydrophobicContact CG2-CG2 4.16Å; E486-V488 VanDerWaalsContact C-N 3.34Å; E486-V488 PolarHBondContact O-N 3.41Å; V488-I490 HydrophobicContact CG1-CD1 4.29Å; V488-I490 HydrophobicContact CG1-CG1 4.11Å; V488-I490 HydrophobicContact CG2-CG1 4Å; V488-I500 HydrophobicContact CG1-CD1 4.5Å; V488-I500 WeakPolarHBondContact O-CG2 3.5Å
489	L	97.9	Very high	95.6	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	116.3	167.4	176.9	65.7	0	0	0	108.7	V410 R419 V420 I421 V491 F498 Q501 L502	V410-L489 HydrophobicContact CG2-CD2 4.06Å; R419-L489 PolarHBondContact O-N 3.11Å; V420-L489 WeakPolarHBondContact CA-O 3.42Å; V420-L489 HydrophobicContact CG2-CB 4.45Å; I421-L489 PolarHBondContact N-O 3.18Å; L489-V491 HydrophobicContact CD1-CG2 4.44Å; L489-V491 HydrophobicContact CD2-CG2 4.2Å; L489-V491 HydrophobicContact CG-CG2 3.88Å; L489-F498 HydrophobicContact CD1-CB 4.49Å; L489-F498 HydrophobicContact CD1-CD1 4Å; L489-F498 HydrophobicContact CD1-CD2 4.18Å; L489-F498 HydrophobicContact CD1-CE1 4.28Å; L489-F498 HydrophobicContact CD1-CE2 4.43Å; L489-F498 HydrophobicContact CD1-CG 3.97Å; L489-F498 HydrophobicContact CD1-CZ 4.49Å; L489-Q501 HydrophobicContact CD1-CB 4.38Å; L489-L502 HydrophobicContact CB-CD1 4.13Å
490	I	98.4	Very high	95.7	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	120.5	176.9	-54.8	-170.5	0	0	0	109.3	I421 V423 L477 V480 L481 V488 F498 V499 I500	I421-I490 HydrophobicContact CB-CB 4.48Å; I421-I490 HydrophobicContact CB-CG1 4.11Å; I421-I490 HydrophobicContact CB-CG2 4.3Å; I421-I490 HydrophobicContact CD1-CD1 4.08Å; I421-I490 HydrophobicContact CD1-CG1 4.15Å; I421-I490 HydrophobicContact CG1-CG1 4.34Å; I421-I490 HydrophobicContact CG2-CG2 4.4Å; I421-I490 WeakPolarHBondContact O-CA 3.4Å; V423-I490 HydrophobicContact CG2-CG2 3.66Å; L477-I490 HydrophobicContact CD1-CG2 4.14Å; V480-I490 HydrophobicContact CG1-CD1 4.17Å; L481-I490 HydrophobicContact CD2-CD1 4.17Å; V488-I490 HydrophobicContact CG1-CD1 4.29Å; V488-I490 HydrophobicContact CG1-CG1 4.11Å; V488-I490 HydrophobicContact CG2-CG1 4Å; I490-F498 CarbonylContact O-C 3.51Å; I490-F498 WeakPolarHBondContact O-CA 3.4Å; I490-V499 HydrophobicContact CB-CB 4.18Å; I490-V499 HydrophobicContact CG2-CB 3.95Å; I490-V499 HydrophobicContact CG2-CG2 4.32Å; I490-V499 PolarHBondContact O-N 3.32Å; I490-I500 HydrophobicContact CB-CB 4.2Å; I490-I500 HydrophobicContact CB-CG1 4.42Å; I490-I500 HydrophobicContact CD1-CB 4.39Å; I490-I500 HydrophobicContact CD1-CD1 3.66Å; I490-I500 HydrophobicContact CD1-CG1 3.99Å; I490-I500 HydrophobicContact CG1-CB 4.07Å; I490-I500 HydrophobicContact CG1-CD1 4.27Å; I490-I500 HydrophobicContact CG1-CG1 4.21Å; I490-I500 PolarHBondContact N-O 3.01Å
491	V	98.6	Very high	95.6	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	116.9	-172.1	-168.9	0	0	0	0	110.4	L402 V410 V420 I421 F422 V423 L489 L493 R497 F498	L402-V491 HydrophobicContact CD1-CG1 4.46Å; L402-V491 HydrophobicContact CD2-CG1 3.75Å; V410-V491 HydrophobicContact CG2-CG1 4.44Å; V410-V491 HydrophobicContact CG2-CG2 3.8Å; V420-V491 HydrophobicContact CG1-CG2 4.49Å; I421-V491 PolarHBondContact O-N 2.9Å; F422-V491 CarbonylContact C-O 3.59Å; F422-V491 HydrophobicContact CD1-CB 3.93Å; F422-V491 HydrophobicContact CD1-CG2 4.15Å; F422-V491 HydrophobicContact CE1-CB 4.24Å; F422-V491 HydrophobicContact CE1-CG2 4.14Å; V423-V491 PolarHBondContact N-O 3.47Å; L489-V491 HydrophobicContact CD1-CG2 4.44Å; L489-V491 HydrophobicContact CD2-CG2 4.2Å; L489-V491 HydrophobicContact CG-CG2 3.88Å; V491-L493 HydrophobicContact CG1-CD2 4.16Å; V491-L493 PolarHBondContact O-N 3.06Å; V491-R497 CarbonylContact C-O 3.58Å; V491-R497 WeakPolarHBondContact CA-O 3.18Å; V491-F498 HydrophobicContact CB-CD1 4.37Å; V491-F498 HydrophobicContact CG1-CD1 4.08Å; V491-F498 HydrophobicContact CG1-CE1 4.1Å; V491-F498 HydrophobicContact CG2-CD1 3.94Å; V491-F498 HydrophobicContact CG2-CE1 4.02Å
492	D	98.3	Very high	95.3	Very high	14 Å²	14	58.6 Å²	58.6	8%	0.075	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	103.9	169.7	176.8	-3.5	0	0	0	109.7	C494 A495 D496 R497 V499	D492-C494 VanDerWaalsContact C-N 3.27Å; D492-C494 PolarHBondContact O-N 3.17Å; D492-C494 WeakPolarHBondContact OD1-CA 3.39Å; D492-C494 WeakPolarHBondContact OD1-CB 3.35Å; D492-C494 PolarHBondContact OD1-N 3.26Å; D492-A495 PolarHBondContact OD1-N 3.15Å; D492-A495 VanDerWaalsContact OD2-CB 3.27Å; D492-A495 WeakPolarHBondContact OD2-CB 3.18Å; D492-D496 PolarHBondContact O-N 2.86Å; D492-R497 HydrophobicContact CB-CB 4.24Å; D492-R497 PolarHBondContact N-O 2.85Å; D492-R497 PolarHBondContact O-N 3.01Å; D492-R497 IonicContact OD2-CZ 2.77Å; D492-R497 IonicContact OD2-NE 2.93Å; D492-R497 PolarHBondContact OD2-NE 3.3Å; D492-R497 IonicContact OD2-NH2 2.85Å; D492-R497 PolarHBondContact OD2-NH2 2.79Å; D492-V499 HydrophobicContact CB-CG2 3.9Å
493	L	98.2	Very high	95	Very high	4 Å²	4	53 Å²	53	2%	0.021	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-14.7	178.8	-61.4	179.4	0	0	0	112.8	C401 L402 F422 V423 A424 V429 L430 C433 V491	C401-L493 HydrophobicContact CB-CB 4.08Å; C401-L493 HydrophobicContact CB-CD2 4.37Å; C401-L493 WeakPolarHBondContact CB-O 3.45Å; L402-L493 HydrophobicContact CD1-CD2 3.88Å; L402-L493 HydrophobicContact CD2-CD2 3.99Å; L402-L493 HydrophobicContact CG-CD2 3.79Å; F422-L493 HydrophobicContact CB-CD1 3.9Å; F422-L493 HydrophobicContact CB-CG 4.33Å; F422-L493 HydrophobicContact CD2-CD1 3.91Å; F422-L493 HydrophobicContact CD2-CD2 4.49Å; F422-L493 HydrophobicContact CG-CD1 4.02Å; F422-L493 HydrophobicContact CG-CD2 4.39Å; F422-L493 HydrophobicContact CG-CG 4.37Å; V423-L493 WeakPolarHBondContact O-CB 3.13Å; V423-L493 PolarHBondContact O-N 3.49Å; A424-L493 HydrophobicContact CB-CB 4.19Å; A424-L493 HydrophobicContact CB-CD1 4.42Å; V429-L493 HydrophobicContact CG1-CB 4.3Å; V429-L493 HydrophobicContact CG1-CD1 4.11Å; L430-L493 HydrophobicContact CD2-CD1 4.44Å; C433-L493 HydrophobicContact CB-CD1 3.73Å; V491-L493 HydrophobicContact CG1-CD2 4.16Å; V491-L493 PolarHBondContact O-N 3.06Å
494	C	96.1	Very high	94.7	Very high	71 Å²	71	51.8 Å²	51.8	48%	0.48	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-21.5	177.3	-68.2	0	0	0	0	112.6	D425 D492	D425-C494 PolarHBondContact N-SG 3.21Å; D425-C494 PolarHBondContact OD1-SG 3.34Å; D492-C494 VanDerWaalsContact C-N 3.27Å; D492-C494 PolarHBondContact O-N 3.17Å; D492-C494 WeakPolarHBondContact OD1-CA 3.39Å; D492-C494 WeakPolarHBondContact OD1-CB 3.35Å; D492-C494 PolarHBondContact OD1-N 3.26Å
495	A	95.8	Very high	94.7	Very high	55 Å²	55	46.8 Å²	46.8	46%	0.455	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.8	9.4	-178.2	0	0	0	0	0	114.4	D492 R497	D492-A495 PolarHBondContact OD1-N 3.15Å; D492-A495 VanDerWaalsContact OD2-CB 3.27Å; D492-A495 WeakPolarHBondContact OD2-CB 3.18Å; A495-R497 HydrophobicContact CB-CB 4.12Å; A495-R497 PolarHBondContact O-N 3.34Å
496	D	96.8	Very high	94.6	Very high	42 Å²	42	49.4 Å²	49.4	23%	0.225	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	47.7	56	-174.2	-178	48.4	0	0	0	111.7	L402 S403 K406 D492	L402-D496 WeakPolarHBondContact CA-OD1 3.46Å; S403-D496 WeakPolarHBondContact CB-OD2 3.42Å; S403-D496 PolarHBondContact N-OD1 3.08Å; S403-D496 VanDerWaalsContact OG-CG 3.32Å; S403-D496 PolarHBondContact OG-OD1 3.26Å; S403-D496 VanDerWaalsContact OG-OD1 3.07Å; S403-D496 PolarHBondContact OG-OD2 3.42Å; K406-D496 WeakPolarHBondContact CD-O 3.31Å; K406-D496 WeakPolarHBondContact CD-OD1 3.22Å; K406-D496 WeakPolarHBondContact CE-O 3.38Å; K406-D496 PolarHBondContact NZ-O 3.28Å; K406-D496 IonicContact NZ-OD1 3.64Å; K406-D496 IonicContact NZ-OD2 2.83Å; K406-D496 PolarHBondContact NZ-OD2 3.22Å; D492-D496 PolarHBondContact O-N 2.86Å
497	R	96.6	Very high	94.8	Very high	125 Å²	125	45.6 Å²	45.6	47%	0.472	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	142.9	-162.4	171.1	174.1	66.8	138.9	-3.3	113.2	V491 D492 A495	V491-R497 CarbonylContact C-O 3.58Å; V491-R497 WeakPolarHBondContact CA-O 3.18Å; D492-R497 HydrophobicContact CB-CB 4.24Å; D492-R497 PolarHBondContact N-O 2.85Å; D492-R497 PolarHBondContact O-N 3.01Å; D492-R497 IonicContact OD2-CZ 2.77Å; D492-R497 IonicContact OD2-NE 2.93Å; D492-R497 PolarHBondContact OD2-NE 3.3Å; D492-R497 IonicContact OD2-NH2 2.85Å; D492-R497 PolarHBondContact OD2-NH2 2.79Å; A495-R497 HydrophobicContact CB-CB 4.12Å; A495-R497 PolarHBondContact O-N 3.34Å
498	F	97.6	Very high	95	Very high	34 Å²	34	41.8 Å²	41.8	15%	0.149	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	130.1	162.4	-55.2	-28.6	0	0	0	109.9	K406 Q409 V410 L489 I490 V491 Q501	K406-F498 HydrophobicContact CB-CE1 4.11Å; K406-F498 HydrophobicContact CB-CZ 3.88Å; K406-F498 HydrophobicContact CG-CE1 4.31Å; K406-F498 HydrophobicContact CG-CE2 4.39Å; K406-F498 HydrophobicContact CG-CZ 3.92Å; Q409-F498 HydrophobicContact CB-CE2 4.12Å; Q409-F498 HydrophobicContact CB-CZ 3.82Å; V410-F498 HydrophobicContact CG2-CE1 3.94Å; V410-F498 HydrophobicContact CG2-CZ 4.34Å; L489-F498 HydrophobicContact CD1-CB 4.49Å; L489-F498 HydrophobicContact CD1-CD1 4Å; L489-F498 HydrophobicContact CD1-CD2 4.18Å; L489-F498 HydrophobicContact CD1-CE1 4.28Å; L489-F498 HydrophobicContact CD1-CE2 4.43Å; L489-F498 HydrophobicContact CD1-CG 3.97Å; L489-F498 HydrophobicContact CD1-CZ 4.49Å; I490-F498 CarbonylContact O-C 3.51Å; I490-F498 WeakPolarHBondContact O-CA 3.4Å; V491-F498 HydrophobicContact CB-CD1 4.37Å; V491-F498 HydrophobicContact CG1-CD1 4.08Å; V491-F498 HydrophobicContact CG1-CE1 4.1Å; V491-F498 HydrophobicContact CG2-CD1 3.94Å; V491-F498 HydrophobicContact CG2-CE1 4.02Å; F498-Q501 HydrophobicContact CB-CB 4.27Å; F498-Q501 HydrophobicContact CD2-CB 4.26Å
499	V	97.1	Very high	95	Very high	44 Å²	44	42.1 Å²	42.1	27%	0.267	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	-38.4	174.8	-176.5	0	0	0	0	109.9	L477 L481 I490 D492	L477-V499 HydrophobicContact CD1-CG1 4.48Å; L477-V499 HydrophobicContact CD2-CG1 4.4Å; L477-V499 HydrophobicContact CD2-CG2 4.34Å; L481-V499 HydrophobicContact CD1-CG1 4.29Å; L481-V499 HydrophobicContact CD2-CG1 4.16Å; I490-V499 HydrophobicContact CB-CB 4.18Å; I490-V499 HydrophobicContact CG2-CB 3.95Å; I490-V499 HydrophobicContact CG2-CG2 4.32Å; I490-V499 PolarHBondContact O-N 3.32Å; D492-V499 HydrophobicContact CB-CG2 3.9Å
500	I	96.4	Very high	94.9	Very high	65 Å²	65	42.3 Å²	42.3	33%	0.333	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	139.2	166.8	-55.4	-174.1	0	0	0	107.1	L481 V488 I490	L481-I500 HydrophobicContact CD2-CD1 3.76Å; L481-I500 HydrophobicContact CD2-CG1 4.11Å; V488-I500 HydrophobicContact CG1-CD1 4.5Å; V488-I500 WeakPolarHBondContact O-CG2 3.5Å; I490-I500 HydrophobicContact CB-CB 4.2Å; I490-I500 HydrophobicContact CB-CG1 4.42Å; I490-I500 HydrophobicContact CD1-CB 4.39Å; I490-I500 HydrophobicContact CD1-CD1 3.66Å; I490-I500 HydrophobicContact CD1-CG1 3.99Å; I490-I500 HydrophobicContact CG1-CB 4.07Å; I490-I500 HydrophobicContact CG1-CD1 4.27Å; I490-I500 HydrophobicContact CG1-CG1 4.21Å; I490-I500 PolarHBondContact N-O 3.01Å
501	Q	94.3	Very high	94.7	Very high	122 Å²	122	44.7 Å²	44.7	57%	0.57	26%	0.258	S	S	*	.			trans	-137.5	151.5	176.2	65.6	-172.7	15.7	0	0	109	L489 F498	L489-Q501 HydrophobicContact CD1-CB 4.38Å; F498-Q501 HydrophobicContact CB-CB 4.27Å; F498-Q501 HydrophobicContact CD2-CB 4.26Å
502	L	90.6	Very high	94.5	Very high	60 Å²	60	47.9 Å²	47.9	31%	0.314	27%	0.272	S	S	.	.			trans	-81.9	-18.5	175.4	-65.3	83.5	0	0	0	111.6	E487 L489 E505	E487-L502 HydrophobicContact CB-CD2 4.19Å; L489-L502 HydrophobicContact CB-CD1 4.13Å; L502-E505 WeakPolarHBondContact CB-OE1 3.45Å; L502-E505 WeakPolarHBondContact CD1-OE1 3.37Å; L502-E505 PolarHBondContact N-OE1 2.98Å
503	G	89.3	Confident	94.4	Very high	54 Å²	54	47.7 Å²	47.7	56%	0.557	27%	0.271	S	S	*	.	S	Bend	trans	88.3	24.4	170.9	0	0	0	0	0	114.3	E505	G503-E505 WeakPolarHBondContact CA-OE2 3.01Å; G503-E505 PolarHBondContact N-OE2 3.35Å
504	D	90.5	Very high	94.4	Very high	23 Å²	23	49.1 Å²	49.1	12%	0.123	28%	0.278	C	S	.	.			trans	-145.7	4.6	-177.9	80.9	-42.2	0	0	0	113.8	R185 R418 D506 C507 I508	R185-D504 IonicContact CZ-OD2 2.65Å; R185-D504 VanDerWaalsContact CZ-OD2 3.25Å; R185-D504 IonicContact NE-OD2 3.32Å; R185-D504 PolarHBondContact NE-OD2 3.18Å; R185-D504 PolarHBondContact NH2-O 3.49Å; R185-D504 IonicContact NH2-OD2 3.82Å; R185-D504 PolarHBondContact NH2-OD2 2.71Å; R418-D504 IonicContact CZ-OD1 3.63Å; R418-D504 IonicContact CZ-OD2 3.12Å; R418-D504 IonicContact NH1-OD1 3.8Å; R418-D504 PolarHBondContact NH1-OD1 3.06Å; R418-D504 IonicContact NH2-OD1 3.77Å; R418-D504 PolarHBondContact NH2-OD1 3.03Å; R418-D504 IonicContact NH2-OD2 2.79Å; R418-D504 PolarHBondContact NH2-OD2 2.78Å; D504-D506 VanDerWaalsContact C-N 3.31Å; D504-D506 PolarHBondContact O-N 2.96Å; D504-C507 CarbonylContact O-C 3.48Å; D504-C507 PolarHBondContact O-N 2.98Å; D504-C507 VanDerWaalsContact O-N 3.17Å; D504-I508 PolarHBondContact O-N 2.97Å
505	E	92.3	Very high	94.4	Very high	5 Å²	5	47.7 Å²	47.7	2%	0.023	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-64.9	-31.5	-172.2	-68	84.6	167.9	0	0	113.5	Q409 S413 R418 L502 G503 C507	Q409-E505 HydrophobicContact CB-CB 3.88Å; Q409-E505 HydrophobicContact CG-CB 4.05Å; S413-E505 WeakPolarHBondContact OG-CG 3.44Å; R418-E505 IonicContact NH1-OE1 3.35Å; L502-E505 WeakPolarHBondContact CB-OE1 3.45Å; L502-E505 WeakPolarHBondContact CD1-OE1 3.37Å; L502-E505 PolarHBondContact N-OE1 2.98Å; G503-E505 WeakPolarHBondContact CA-OE2 3.01Å; G503-E505 PolarHBondContact N-OE2 3.35Å; E505-C507 VanDerWaalsContact C-N 3.29Å; E505-C507 PolarHBondContact O-N 3.03Å
506	D	90.1	Very high	94.5	Very high	82 Å²	82	45.1 Å²	45.1	44%	0.439	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-64.5	-33.9	175.3	65.2	-25.3	0	0	0	112.5	D504 Q514	D504-D506 VanDerWaalsContact C-N 3.31Å; D504-D506 PolarHBondContact O-N 2.96Å; D506-Q514 PolarHBondContact O-NE2 2.71Å; D506-Q514 PolarHBondContact O-OE1 3.04Å
507	C	91	Very high	94.5	Very high	69 Å²	69	43.1 Å²	43.1	47%	0.466	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-100.7	18.3	-175.9	-65.5	0	0	0	0	113.1	R185 D504 E505	R185-C507 PolarHBondContact NH1-O 3.16Å; R185-C507 VanDerWaalsContact NH2-C 3.26Å; R185-C507 PolarHBondContact NH2-O 3.35Å; D504-C507 CarbonylContact O-C 3.48Å; D504-C507 PolarHBondContact O-N 2.98Å; D504-C507 VanDerWaalsContact O-N 3.17Å; E505-C507 VanDerWaalsContact C-N 3.29Å; E505-C507 PolarHBondContact O-N 3.03Å
508	I	93.4	Very high	94.6	Very high	5 Å²	5	39.8 Å²	39.8	3%	0.026	23%	0.23	C	C	.	.	S	Bend	trans	-78.2	-50.2	173.5	-69	172.2	0	0	0	110.7	A412 L416 D504 F593	A412-I508 HydrophobicContact CB-CB 3.73Å; A412-I508 HydrophobicContact CB-CD1 4.09Å; A412-I508 HydrophobicContact CB-CG1 4.5Å; A412-I508 HydrophobicContact CB-CG2 3.69Å; L416-I508 HydrophobicContact CD1-CD1 4.09Å; L416-I508 HydrophobicContact CD1-CG1 4.05Å; L416-I508 HydrophobicContact CD1-CG2 3.74Å; L416-I508 HydrophobicContact CG-CG2 3.87Å; D504-I508 PolarHBondContact O-N 2.97Å; I508-F593 HydrophobicContact CG2-CD2 4.26Å; I508-F593 HydrophobicContact CG2-CE2 3.93Å; I508-F593 WeakPolarHBondContact O-CD2 3.18Å
509	L	96.2	Very high	94.6	Very high	10 Å²	10	40.8 Å²	40.8	5%	0.052	24%	0.235	C	C	.	.	S	Bend	trans	-77	153.1	-171.9	-58.2	179.3	0	0	0	111.7	L408 F411 A412 L415 S511 Q514 F554 F593	L408-L509 HydrophobicContact CB-CD1 4.38Å; F411-L509 HydrophobicContact CD1-CD1 4.27Å; F411-L509 HydrophobicContact CD1-CD2 4.46Å; F411-L509 HydrophobicContact CE1-CD2 4.39Å; A412-L509 HydrophobicContact CB-CD1 4.11Å; A412-L509 HydrophobicContact CB-CD2 3.54Å; A412-L509 HydrophobicContact CB-CG 3.55Å; L415-L509 HydrophobicContact CD1-CD2 3.87Å; L509-S511 PolarHBondContact O-N 2.55Å; L509-Q514 HydrophobicContact CB-CB 3.91Å; L509-Q514 HydrophobicContact CB-CG 4.27Å; L509-Q514 HydrophobicContact CD1-CB 4.24Å; L509-Q514 HydrophobicContact CD1-CG 4.11Å; L509-F554 HydrophobicContact CD2-CZ 4.03Å; L509-F593 HydrophobicContact CD2-CE2 4.49Å
510	P	96.2	Very high	94.6	Very high	5 Å²	5	38.7 Å²	38.7	3%	0.032	22%	0.222	C	C	.	.			trans	-63.1	118.4	169.8	-22.9	35.3	0	0	0	111	K512 L513 Q514 L558 V590 F593	P510-K512 VanDerWaalsContact C-N 3.3Å; P510-K512 PolarHBondContact O-N 3.05Å; P510-L513 HydrophobicContact CB-CB 4.47Å; P510-L513 HydrophobicContact CB-CD1 4.26Å; P510-L513 HydrophobicContact CB-CG 4.33Å; P510-L513 HydrophobicContact CG-CD1 4.29Å; P510-L513 PolarHBondContact O-N 3.36Å; P510-Q514 PolarHBondContact O-N 2.89Å; P510-L558 HydrophobicContact CG-CD1 4.17Å; P510-V590 HydrophobicContact CB-CG2 3.61Å; P510-V590 HydrophobicContact CG-CB 4.33Å; P510-V590 HydrophobicContact CG-CG2 3.71Å; P510-F593 HydrophobicContact CG-CB 3.84Å; P510-F593 HydrophobicContact CG-CG 4.18Å
511	S	94.5	Very high	94.6	Very high	50 Å²	50	35.6 Å²	35.6	35%	0.35	21%	0.206	S	C	.	.	H	α-helix	trans	-39.5	-50.4	-172.8	56.8	0	0	0	0	114.6	D174 L509 A515	D174-S511 PolarHBondContact OD1-OG 2.94Å; L509-S511 PolarHBondContact O-N 2.55Å; S511-A515 WeakPolarHBondContact O-CB 3.45Å; S511-A515 PolarHBondContact O-N 2.8Å
512	K	94.4	Very high	94.7	Very high	67 Å²	67	35.1 Å²	35.1	29%	0.291	20%	0.204	S	C	.	.	H	α-helix	trans	-64.9	-38.7	179.2	-69	178	167	-173.4	0	114.4	K150 E172 P510 A516	K150-K512 WeakPolarHBondContact CB-O 3.37Å; K150-K512 WeakPolarHBondContact O-CD 3.35Å; E172-K512 IonicContact OE1-NZ 2.67Å; E172-K512 PolarHBondContact OE1-NZ 2.83Å; P510-K512 VanDerWaalsContact C-N 3.3Å; P510-K512 PolarHBondContact O-N 3.05Å; K512-A516 PolarHBondContact O-N 3.44Å; K512-A516 VanDerWaalsContact O-N 3.11Å
513	L	96	Very high	95	Very high	9 Å²	9	35.3 Å²	35.3	5%	0.047	21%	0.205	C	C	.	.	H	α-helix	trans	-76.4	-37.5	179.7	-60.8	-177.5	0	0	0	111	F147 P510 A516 L517 F554 E557 L558 V590	F147-L513 HydrophobicContact CD1-CD2 4.05Å; F147-L513 HydrophobicContact CE1-CD2 4.18Å; P510-L513 HydrophobicContact CB-CB 4.47Å; P510-L513 HydrophobicContact CB-CD1 4.26Å; P510-L513 HydrophobicContact CB-CG 4.33Å; P510-L513 HydrophobicContact CG-CD1 4.29Å; P510-L513 PolarHBondContact O-N 3.36Å; L513-A516 PolarHBondContact O-N 3.27Å; L513-L517 WeakPolarHBondContact O-CB 3.43Å; L513-L517 PolarHBondContact O-N 2.96Å; L513-F554 HydrophobicContact CB-CD2 3.81Å; L513-F554 HydrophobicContact CB-CE2 3.68Å; L513-F554 HydrophobicContact CD1-CE2 4.27Å; L513-E557 HydrophobicContact CD1-CB 4.44Å; L513-E557 HydrophobicContact CD2-CB 3.72Å; L513-E557 HydrophobicContact CD2-CG 4.16Å; L513-L558 HydrophobicContact CD1-CB 4.4Å; L513-L558 HydrophobicContact CD1-CD1 3.83Å; L513-V590 HydrophobicContact CD1-CG2 3.92Å
514	Q	96.8	Very high	95.2	Very high	34 Å²	34	35.3 Å²	35.3	16%	0.159	19%	0.189	C	C	.	.	H	α-helix	trans	-60.8	-45.8	171.6	-176.6	175.4	-0.1	0	0	111.4	L408 D506 L509 P510 A516 L517 M518	L408-Q514 HydrophobicContact CD1-CG 4.42Å; D506-Q514 PolarHBondContact O-NE2 2.71Å; D506-Q514 PolarHBondContact O-OE1 3.04Å; L509-Q514 HydrophobicContact CB-CB 3.91Å; L509-Q514 HydrophobicContact CB-CG 4.27Å; L509-Q514 HydrophobicContact CD1-CB 4.24Å; L509-Q514 HydrophobicContact CD1-CG 4.11Å; P510-Q514 PolarHBondContact O-N 2.89Å; Q514-A516 VanDerWaalsContact C-N 3.33Å; Q514-A516 PolarHBondContact O-N 3.17Å; Q514-L517 PolarHBondContact O-N 2.79Å; Q514-M518 WeakPolarHBondContact O-CB 3.32Å; Q514-M518 PolarHBondContact O-N 2.74Å
515	A	96.9	Very high	95.3	Very high	42 Å²	42	38.3 Å²	38.3	35%	0.347	20%	0.202	S	C	.	.	H	α-helix	trans	-67.8	-28.4	177	0	0	0	0	0	113.8	K150 S511 Q519	K150-A515 WeakPolarHBondContact CE-O 3.35Å; S511-A515 WeakPolarHBondContact O-CB 3.45Å; S511-A515 PolarHBondContact O-N 2.8Å; A515-Q519 PolarHBondContact O-N 3.18Å
516	A	97.5	Very high	95.2	Very high	1 Å²	1	42 Å²	42	1%	0.008	22%	0.222	C	C	.	.	H	α-helix	trans	-72.2	-49.4	173.7	0	0	0	0	0	110.8	I146 F147 K150 K512 L513 Q514 Q519 V520	I146-A516 HydrophobicContact CG2-CB 4.27Å; F147-A516 HydrophobicContact CB-CB 4.43Å; F147-A516 HydrophobicContact CD1-CB 3.56Å; F147-A516 HydrophobicContact CD2-CB 4.04Å; F147-A516 HydrophobicContact CE1-CB 3.69Å; F147-A516 HydrophobicContact CE2-CB 4.16Å; F147-A516 HydrophobicContact CG-CB 3.75Å; F147-A516 HydrophobicContact CZ-CB 3.99Å; K150-A516 HydrophobicContact CB-CB 4.1Å; K150-A516 HydrophobicContact CG-CB 3.66Å; K512-A516 PolarHBondContact O-N 3.44Å; K512-A516 VanDerWaalsContact O-N 3.11Å; L513-A516 PolarHBondContact O-N 3.27Å; Q514-A516 VanDerWaalsContact C-N 3.33Å; Q514-A516 PolarHBondContact O-N 3.17Å; A516-Q519 PolarHBondContact O-N 2.95Å; A516-V520 WeakPolarHBondContact O-CG2 3.29Å; A516-V520 PolarHBondContact O-N 3.11Å
517	L	97.5	Very high	95.3	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-65.6	-42.4	-179.5	-171.5	56.7	0	0	0	111.6	F147 L408 F411 L513 Q514 Q519 V520 L521 A550 F551 F554	F147-L517 HydrophobicContact CZ-CB 4.05Å; F147-L517 HydrophobicContact CZ-CD1 4.34Å; L408-L517 HydrophobicContact CD2-CD2 3.54Å; L408-L517 HydrophobicContact CD2-CG 3.88Å; F411-L517 HydrophobicContact CE1-CD2 4.39Å; L513-L517 WeakPolarHBondContact O-CB 3.43Å; L513-L517 PolarHBondContact O-N 2.96Å; Q514-L517 PolarHBondContact O-N 2.79Å; L517-Q519 PolarHBondContact O-N 3.34Å; L517-V520 PolarHBondContact O-N 3.05Å; L517-L521 HydrophobicContact CD1-CD1 4.42Å; L517-L521 HydrophobicContact CD1-CG 4.46Å; L517-L521 HydrophobicContact CG-CD1 4.11Å; L517-L521 WeakPolarHBondContact O-CB 3.45Å; L517-L521 WeakPolarHBondContact O-CG 3.38Å; L517-L521 PolarHBondContact O-N 3.36Å; L517-A550 HydrophobicContact CD1-CB 3.9Å; L517-F551 HydrophobicContact CD1-CD2 3.91Å; L517-F551 HydrophobicContact CD1-CE2 3.9Å; L517-F551 HydrophobicContact CD1-CG 4.37Å; L517-F551 HydrophobicContact CD1-CZ 4.33Å; L517-F551 HydrophobicContact CD2-CD1 4.09Å; L517-F551 HydrophobicContact CD2-CE1 3.76Å; L517-F551 HydrophobicContact CD2-CE2 4.26Å; L517-F551 HydrophobicContact CD2-CG 4.49Å; L517-F551 HydrophobicContact CD2-CZ 3.85Å; L517-F551 HydrophobicContact CG-CE2 4.35Å; L517-F551 HydrophobicContact CG-CZ 4.32Å; L517-F554 HydrophobicContact CD2-CB 4.22Å; L517-F554 HydrophobicContact CD2-CD2 3.99Å; L517-F554 HydrophobicContact CD2-CG 4.13Å
518	M	97.6	Very high	95.2	Very high	54 Å²	54	36.5 Å²	36.5	27%	0.266	19%	0.187	S	C	.	.	H	α-helix	trans	-55.2	-49.2	173.5	-179	172.1	-74.1	0	0	111.6	V404 L408 Q514 V520 L521 E522	V404-M518 HydrophobicContact CG1-CB 4.4Å; V404-M518 HydrophobicContact CG1-CG 4.03Å; L408-M518 HydrophobicContact CD1-CB 3.85Å; L408-M518 HydrophobicContact CD1-CE 4.1Å; Q514-M518 WeakPolarHBondContact O-CB 3.32Å; Q514-M518 PolarHBondContact O-N 2.74Å; M518-V520 PolarHBondContact O-N 2.74Å; M518-L521 PolarHBondContact O-N 2.93Å; M518-E522 WeakPolarHBondContact O-CG 3.4Å; M518-E522 PolarHBondContact O-N 2.98Å
519	Q	97.8	Very high	94.9	Very high	56 Å²	56	41.9 Å²	41.9	26%	0.262	21%	0.207	S	C	.	.	H	α-helix	trans	-61.2	-46.1	177.4	179.7	178.6	-15.8	0	0	112	I146 A515 A516 L517 L521 E522 D523	I146-Q519 HydrophobicContact CD1-CG 4.42Å; I146-Q519 HydrophobicContact CG2-CB 4.15Å; I146-Q519 HydrophobicContact CG2-CG 4.28Å; A515-Q519 PolarHBondContact O-N 3.18Å; A516-Q519 PolarHBondContact O-N 2.95Å; L517-Q519 PolarHBondContact O-N 3.34Å; Q519-L521 PolarHBondContact O-N 2.75Å; Q519-E522 PolarHBondContact O-N 2.84Å; Q519-E522 VanDerWaalsContact O-N 3.14Å; Q519-D523 WeakPolarHBondContact CG-OD2 3.44Å; Q519-D523 PolarHBondContact NE2-OD2 3.22Å; Q519-D523 WeakPolarHBondContact O-CB 3.36Å; Q519-D523 PolarHBondContact O-N 3.35Å
520	V	97.6	Very high	94.3	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-59	-36.3	177.3	170.9	0	0	0	0	111.8	I143 I146 F147 A516 L517 M518 R524 M527 L546 A550	I143-V520 HydrophobicContact CD1-CG1 4.28Å; I143-V520 HydrophobicContact CG1-CG1 3.81Å; I143-V520 HydrophobicContact CG1-CG2 4.15Å; I143-V520 HydrophobicContact CG2-CG2 4.49Å; I146-V520 HydrophobicContact CB-CG2 4.17Å; I146-V520 HydrophobicContact CD1-CG2 3.79Å; I146-V520 HydrophobicContact CG2-CG2 4Å; F147-V520 HydrophobicContact CE2-CG2 4.43Å; A516-V520 WeakPolarHBondContact O-CG2 3.29Å; A516-V520 PolarHBondContact O-N 3.11Å; L517-V520 PolarHBondContact O-N 3.05Å; M518-V520 PolarHBondContact O-N 2.74Å; V520-R524 PolarHBondContact O-N 3.39Å; V520-R524 VanDerWaalsContact O-N 3.14Å; V520-M527 HydrophobicContact CG1-SD 4.43Å; V520-L546 HydrophobicContact CG1-CD2 4.26Å; V520-A550 HydrophobicContact CB-CB 4.5Å; V520-A550 HydrophobicContact CG1-CB 3.55Å
521	L	96.8	Very high	93.5	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-75.2	-27.3	178.5	-67.1	175	0	0	0	113.2	V404 L408 L517 M518 Q519 R524 L547 F551	V404-L521 HydrophobicContact CB-CB 4.42Å; V404-L521 HydrophobicContact CG1-CB 3.58Å; V404-L521 HydrophobicContact CG1-CD1 3.9Å; V404-L521 HydrophobicContact CG1-CG 4.38Å; V404-L521 HydrophobicContact CG2-CB 3.91Å; L408-L521 HydrophobicContact CD1-CD1 4.49Å; L408-L521 HydrophobicContact CD2-CD1 3.93Å; L408-L521 HydrophobicContact CG-CD1 4.25Å; L517-L521 HydrophobicContact CD1-CD1 4.42Å; L517-L521 HydrophobicContact CD1-CG 4.46Å; L517-L521 HydrophobicContact CG-CD1 4.11Å; L517-L521 WeakPolarHBondContact O-CB 3.45Å; L517-L521 WeakPolarHBondContact O-CG 3.38Å; L517-L521 PolarHBondContact O-N 3.36Å; M518-L521 PolarHBondContact O-N 2.93Å; Q519-L521 PolarHBondContact O-N 2.75Å; L521-R524 WeakPolarHBondContact O-CD 3.43Å; L521-R524 WeakPolarHBondContact O-CG 3.27Å; L521-R524 PolarHBondContact O-NH1 3.49Å; L521-L547 HydrophobicContact CD2-CD2 3.11Å; L521-F551 HydrophobicContact CD1-CE2 4.07Å; L521-F551 HydrophobicContact CD1-CZ 4.2Å; L521-F551 HydrophobicContact CD2-CE2 4.08Å
522	E	96.5	Very high	92.5	Very high	111 Å²	111	46.6 Å²	46.6	52%	0.519	23%	0.23	S	C	.	.	H	α-helix	trans	-79.3	-48.6	173.6	-71.3	170.7	168.5	0	0	110.9	V404 M518 Q519 R524	V404-E522 HydrophobicContact CB-CG 4.47Å; V404-E522 HydrophobicContact CG1-CG 4.43Å; V404-E522 HydrophobicContact CG2-CG 4.22Å; M518-E522 WeakPolarHBondContact O-CG 3.4Å; M518-E522 PolarHBondContact O-N 2.98Å; Q519-E522 PolarHBondContact O-N 2.84Å; Q519-E522 VanDerWaalsContact O-N 3.14Å; E522-R524 PolarHBondContact O-N 2.95Å
523	D	95.7	Very high	91.2	Very high	65 Å²	65	52 Å²	52	35%	0.348	25%	0.249	S	C	.	.	H	α-helix	trans	-68.9	-10.1	179	-69.8	-17.8	0	0	0	113.6	Q519 E525 D526 M527	Q519-D523 WeakPolarHBondContact CG-OD2 3.44Å; Q519-D523 PolarHBondContact NE2-OD2 3.22Å; Q519-D523 WeakPolarHBondContact O-CB 3.36Å; Q519-D523 PolarHBondContact O-N 3.35Å; D523-E525 PolarHBondContact O-N 3.49Å; D523-D526 PolarHBondContact O-N 3.3Å; D523-M527 HydrophobicContact CB-CG 4.24Å; D523-M527 HydrophobicContact CB-SD 4.04Å; D523-M527 WeakPolarHBondContact O-CG 3.23Å; D523-M527 PolarHBondContact O-N 2.87Å
524	R	94.3	Very high	89.5	Confident	54 Å²	54	56.2 Å²	56.2	20%	0.204	27%	0.271	C	S	.	.	H	α-helix	trans	-43.5	-43.3	-171.4	73.6	-176.1	-179.8	-76	-14.7	114.3	V520 L521 E522 M527 L528 L543 L546	V520-R524 PolarHBondContact O-N 3.39Å; V520-R524 VanDerWaalsContact O-N 3.14Å; L521-R524 WeakPolarHBondContact O-CD 3.43Å; L521-R524 WeakPolarHBondContact O-CG 3.27Å; L521-R524 PolarHBondContact O-NH1 3.49Å; E522-R524 PolarHBondContact O-N 2.95Å; R524-M527 PolarHBondContact O-N 3.27Å; R524-L528 VanDerWaalsContact O-CG 3.32Å; R524-L528 WeakPolarHBondContact O-CG 3.32Å; R524-L528 PolarHBondContact O-N 3.25Å; R524-L528 VanDerWaalsContact O-N 3.07Å; R524-L543 HydrophobicContact CB-CD1 4.43Å; R524-L543 HydrophobicContact CG-CD1 4.48Å; R524-L546 HydrophobicContact CB-CD2 4.28Å
525	E	91.8	Very high	87.6	Confident	86 Å²	86	57 Å²	57	40%	0.402	28%	0.283	S	S	.	.	H	α-helix	trans	-71.9	-40.4	-173.7	-68.1	-177.7	-159.5	0	0	111.5	D523 L528 R529	D523-E525 PolarHBondContact O-N 3.49Å; E525-L528 PolarHBondContact O-N 3.08Å; E525-R529 WeakPolarHBondContact O-CB 2.77Å; E525-R529 WeakPolarHBondContact O-CD 3.35Å; E525-R529 WeakPolarHBondContact O-CG 3.16Å; E525-R529 PolarHBondContact O-N 3.08Å; E525-R529 IonicContact OE2-CZ 3.75Å; E525-R529 IonicContact OE2-NH1 2.66Å; E525-R529 IonicContact OE2-NH2 3.27Å; E525-R529 PolarHBondContact OE2-NH2 2.85Å
526	D	91.2	Very high	85.2	Confident	82 Å²	82	61.5 Å²	61.5	44%	0.439	31%	0.31	S	S	.	.	H	α-helix	trans	-76.3	-28.5	178.3	-75.5	-25.3	0	0	0	111.8	D523 R529 Q530	D523-D526 PolarHBondContact O-N 3.3Å; D526-R529 PolarHBondContact O-N 3.03Å; D526-R529 VanDerWaalsContact OD1-CD 3.24Å; D526-R529 WeakPolarHBondContact OD1-CD 3.42Å; D526-R529 IonicContact OD1-CZ 3.93Å; D526-R529 IonicContact OD1-NE 2.74Å; D526-R529 IonicContact OD1-NH1 3.9Å; D526-R529 PolarHBondContact OD1-NH1 2.97Å; D526-Q530 WeakPolarHBondContact O-CB 3.25Å; D526-Q530 WeakPolarHBondContact O-CG 3.38Å; D526-Q530 PolarHBondContact O-N 3.37Å
527	M	91.6	Very high	82.9	Confident	8 Å²	8	65.1 Å²	65.1	4%	0.039	35%	0.348	C	S	.	.	H	α-helix	trans	-61.1	-48.7	168.5	-65.2	177.7	70.9	0	0	111.3	Y139 K142 I143 V520 D523 R524 Q530 D531 L546	Y139-M527 WeakPolarHBondContact O-CE 3.4Å; K142-M527 HydrophobicContact CB-CE 3.74Å; I143-M527 HydrophobicContact CD1-CE 4.4Å; I143-M527 HydrophobicContact CG1-CE 3.67Å; V520-M527 HydrophobicContact CG1-SD 4.43Å; D523-M527 HydrophobicContact CB-CG 4.24Å; D523-M527 HydrophobicContact CB-SD 4.04Å; D523-M527 WeakPolarHBondContact O-CG 3.23Å; D523-M527 PolarHBondContact O-N 2.87Å; R524-M527 PolarHBondContact O-N 3.27Å; M527-Q530 PolarHBondContact O-N 3.47Å; M527-D531 PolarHBondContact O-N 3.24Å; M527-D531 VanDerWaalsContact O-N 3.09Å; M527-L546 HydrophobicContact CB-CD1 3.75Å; M527-L546 HydrophobicContact CE-CD1 4.46Å
528	L	89.4	Confident	80.5	Confident	27 Å²	27	71.7 Å²	71.7	14%	0.141	38%	0.379	C	S	.	.	H	α-helix	trans	-65.6	-41.1	175.9	-65.4	171.5	0	0	0	112.5	R524 E525 Q530 D531 S532 A541 L543 L546	R524-L528 VanDerWaalsContact O-CG 3.32Å; R524-L528 WeakPolarHBondContact O-CG 3.32Å; R524-L528 PolarHBondContact O-N 3.25Å; R524-L528 VanDerWaalsContact O-N 3.07Å; E525-L528 PolarHBondContact O-N 3.08Å; L528-Q530 VanDerWaalsContact C-N 3.25Å; L528-Q530 PolarHBondContact O-N 3.31Å; L528-D531 PolarHBondContact O-N 2.99Å; L528-S532 VanDerWaalsContact O-CB 3.26Å; L528-S532 WeakPolarHBondContact O-CB 3.18Å; L528-S532 PolarHBondContact O-N 3.24Å; L528-S532 PolarHBondContact O-OG 3.32Å; L528-A541 HydrophobicContact CD2-CB 3.59Å; L528-L543 HydrophobicContact CD1-CB 4.03Å; L528-L543 HydrophobicContact CD1-CD1 3.88Å; L528-L546 HydrophobicContact CD2-CB 4.17Å; L528-L546 HydrophobicContact CD2-CD1 3.77Å; L528-L546 HydrophobicContact CG-CD1 3.87Å
529	R	86.6	Confident	78.1	Confident	119 Å²	119	74.6 Å²	74.6	45%	0.449	40%	0.403	S	S	.	.	H	α-helix	trans	-66.8	-22.3	176.2	-72.4	164.1	-175.5	143.1	11.1	113.3	E525 D526 R533	E525-R529 WeakPolarHBondContact O-CB 2.77Å; E525-R529 WeakPolarHBondContact O-CD 3.35Å; E525-R529 WeakPolarHBondContact O-CG 3.16Å; E525-R529 PolarHBondContact O-N 3.08Å; E525-R529 IonicContact OE2-CZ 3.75Å; E525-R529 IonicContact OE2-NH1 2.66Å; E525-R529 IonicContact OE2-NH2 3.27Å; E525-R529 PolarHBondContact OE2-NH2 2.85Å; D526-R529 PolarHBondContact O-N 3.03Å; D526-R529 VanDerWaalsContact OD1-CD 3.24Å; D526-R529 WeakPolarHBondContact OD1-CD 3.42Å; D526-R529 IonicContact OD1-CZ 3.93Å; D526-R529 IonicContact OD1-NE 2.74Å; D526-R529 IonicContact OD1-NH1 3.9Å; D526-R529 PolarHBondContact OD1-NH1 2.97Å; R529-R533 PolarHBondContact O-NE 2.88Å; R529-R533 PolarHBondContact O-NH2 3.28Å
530	Q	84.1	Confident	75.8	Confident	85 Å²	85	77.3 Å²	77.3	40%	0.397	43%	0.426	S	S	.	.	H	α-helix	trans	-82.6	-49.8	174.2	-74.3	167.6	27.1	0	0	110.4	D526 M527 L528 S532 R533	D526-Q530 WeakPolarHBondContact O-CB 3.25Å; D526-Q530 WeakPolarHBondContact O-CG 3.38Å; D526-Q530 PolarHBondContact O-N 3.37Å; M527-Q530 PolarHBondContact O-N 3.47Å; L528-Q530 VanDerWaalsContact C-N 3.25Å; L528-Q530 PolarHBondContact O-N 3.31Å; Q530-S532 VanDerWaalsContact C-N 3.32Å; Q530-S532 PolarHBondContact O-N 3.04Å; Q530-R533 PolarHBondContact O-N 2.85Å
531	D	79.3	Confident	74.1	Confident	22 Å²	22	78.5 Å²	78.5	12%	0.118	44%	0.436	C	S	.	.	H	α-helix	trans	-59.1	-43.4	179.6	-153.7	65.4	0	0	0	111.7	Q138 Y139 M527 L528 R533 D534 A535 A541	Q138-D531 WeakPolarHBondContact CB-OD1 3.36Å; Q138-D531 PolarHBondContact N-OD1 2.84Å; Y139-D531 HydrophobicContact CD1-CB 4.24Å; M527-D531 PolarHBondContact O-N 3.24Å; M527-D531 VanDerWaalsContact O-N 3.09Å; L528-D531 PolarHBondContact O-N 2.99Å; D531-R533 PolarHBondContact O-N 2.84Å; D531-R533 VanDerWaalsContact O-N 3.13Å; D531-D534 PolarHBondContact O-N 2.7Å; D531-A535 WeakPolarHBondContact O-CB 3.42Å; D531-A535 PolarHBondContact O-N 2.73Å; D531-A535 VanDerWaalsContact O-N 3.12Å; D531-A541 HydrophobicContact CB-CB 4.4Å
532	S	72.3	Confident	73.3	Confident	56 Å²	56	82.1 Å²	82.1	39%	0.392	46%	0.455	S	S	.	.	H	α-helix	trans	-66.8	-11.3	177.4	-54.1	0	0	0	0	114.9	L528 Q530	L528-S532 VanDerWaalsContact O-CB 3.26Å; L528-S532 WeakPolarHBondContact O-CB 3.18Å; L528-S532 PolarHBondContact O-N 3.24Å; L528-S532 PolarHBondContact O-OG 3.32Å; Q530-S532 VanDerWaalsContact C-N 3.32Å; Q530-S532 PolarHBondContact O-N 3.04Å
533	R	67.4	Low	73	Confident	182 Å²	182	77.8 Å²	77.8	69%	0.687	44%	0.435	S	S	*	.	H	α-helix	trans	-89.6	-25.5	175.4	-92.6	-179.6	-82.8	-162.9	-3.9	113.1	R529 Q530 D531	R529-R533 PolarHBondContact O-NE 2.88Å; R529-R533 PolarHBondContact O-NH2 3.28Å; Q530-R533 PolarHBondContact O-N 2.85Å; D531-R533 PolarHBondContact O-N 2.84Å; D531-R533 VanDerWaalsContact O-N 3.13Å
534	D	59.9	Low	72.7	Confident	97 Å²	97	75.2 Å²	75.2	52%	0.519	42%	0.423	S	S	.	.	H	α-helix	trans	-99.6	-8.4	178.2	-65.9	-24.6	0	0	0	112.7	Q138 D531	Q138-D534 PolarHBondContact NE2-OD2 3.02Å; D531-D534 PolarHBondContact O-N 2.7Å
535	A	58.4	Low	72.4	Confident	49 Å²	49	74 Å²	74	41%	0.405	42%	0.423	S	S	.	.	S	Bend	trans	-80.1	112.6	175.8	0	0	0	0	0	112.2	D531 G537	D531-A535 WeakPolarHBondContact O-CB 3.42Å; D531-A535 PolarHBondContact O-N 2.73Å; D531-A535 VanDerWaalsContact O-N 3.12Å; A535-G537 VanDerWaalsContact C-N 3.33Å; A535-G537 PolarHBondContact O-N 3.28Å
536	C	45.7	Very low	72.4	Confident	137 Å²	137	69.9 Å²	69.9	93%	0.926	40%	0.404	S	S	*	.			trans	-81.7	70.9	-178.4	-167.8	0	0	0	0	113.3
537	G	49.1	Very low	72.6	Confident	78 Å²	78	66.1 Å²	66.1	80%	0.804	38%	0.384	S	S	*	.	S	Bend	trans	91.8	1.8	151.4	0	0	0	0	0	119.5	A535	A535-G537 VanDerWaalsContact C-N 3.33Å; A535-G537 PolarHBondContact O-N 3.28Å
538	E	46.6	Very low	72.6	Confident	138 Å²	138	66.1 Å²	66.1	65%	0.645	39%	0.385	S	S	*	.	S	Bend	trans	-124.7	119	174	-74.6	-178.3	174.9	0	0	111.4	K132	K132-E538 IonicContact NZ-OE1 2.64Å; K132-E538 PolarHBondContact NZ-OE1 3.35Å; K132-E538 IonicContact NZ-OE2 3.66Å; K132-E538 PolarHBondContact NZ-OE2 2.9Å
539	C	47.2	Very low	72.8	Confident	114 Å²	114	66 Å²	66	77%	0.77	38%	0.384	S	S	*	.			trans	59.7	129.1	-179.7	-65.4	0	0	0	0	116.7
540	P	51.1	Low	73.3	Confident	114 Å²	114	60.3 Å²	60.3	74%	0.74	36%	0.362	S	S	*	.	P	Polyproline II helix	trans	-67.6	152.3	167.7	31.4	-34.4	0	0	0	110.2	D542	P540-D542 PolarHBondContact O-N 3.03Å
541	A	60.4	Low	74	Confident	25 Å²	25	56.5 Å²	56.5	21%	0.207	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-61.6	122.5	174.9	0	0	0	0	0	110.2	Y139 L528 D531 L543	Y139-A541 HydrophobicContact CE1-CB 4.5Å; L528-A541 HydrophobicContact CD2-CB 3.59Å; D531-A541 HydrophobicContact CB-CB 4.4Å; A541-L543 PolarHBondContact O-N 3.23Å
542	D	81.6	Confident	74.8	Confident	76 Å²	76	55.5 Å²	55.5	41%	0.406	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-77	122.2	-178.9	178.9	10.3	0	0	0	110.2	P540 S544 A545 L546	P540-D542 PolarHBondContact O-N 3.03Å; D542-S544 PolarHBondContact O-N 3.04Å; D542-S544 VanDerWaalsContact OD1-CB 3.23Å; D542-S544 WeakPolarHBondContact OD1-CB 3.47Å; D542-S544 PolarHBondContact OD1-N 3.16Å; D542-S544 PolarHBondContact OD1-OG 2.63Å; D542-S544 WeakPolarHBondContact OD2-CB 3.47Å; D542-A545 HydrophobicContact CB-CB 4.07Å; D542-A545 PolarHBondContact O-N 2.94Å; D542-A545 VanDerWaalsContact O-N 3.1Å; D542-L546 PolarHBondContact O-N 3.25Å; D542-L546 VanDerWaalsContact O-N 3.15Å
543	L	88.8	Confident	75.9	Confident	19 Å²	19	54 Å²	54	10%	0.099	33%	0.325	C	S	.	.	H	α-helix	trans	-52.7	-37.3	172	175.9	63.2	0	0	0	110.7	D396 L399 R524 L528 A541 A545 L546 L547	D396-L543 WeakPolarHBondContact OD1-CD2 3.4Å; L399-L543 HydrophobicContact CD1-CD2 4.24Å; R524-L543 HydrophobicContact CB-CD1 4.43Å; R524-L543 HydrophobicContact CG-CD1 4.48Å; L528-L543 HydrophobicContact CD1-CB 4.03Å; L528-L543 HydrophobicContact CD1-CD1 3.88Å; A541-L543 PolarHBondContact O-N 3.23Å; L543-A545 PolarHBondContact O-N 3.15Å; L543-L546 PolarHBondContact O-N 2.96Å; L543-L547 HydrophobicContact CD1-CD1 3.86Å; L543-L547 HydrophobicContact CD1-CD2 4.38Å; L543-L547 HydrophobicContact CD1-CG 3.91Å; L543-L547 HydrophobicContact CD2-CD1 4.26Å; L543-L547 HydrophobicContact CG-CD1 3.68Å; L543-L547 HydrophobicContact CG-CG 4.16Å; L543-L547 WeakPolarHBondContact O-CB 3.45Å; L543-L547 WeakPolarHBondContact O-CG 3.31Å; L543-L547 PolarHBondContact O-N 3.23Å
544	S	89.1	Confident	77.4	Confident	12 Å²	12	45.4 Å²	45.4	8%	0.084	29%	0.292	C	S	.	.	H	α-helix	trans	-68.2	-33.9	-178.7	-39.1	0	0	0	0	113.1	D542 S548	D542-S544 PolarHBondContact O-N 3.04Å; D542-S544 VanDerWaalsContact OD1-CB 3.23Å; D542-S544 WeakPolarHBondContact OD1-CB 3.47Å; D542-S544 PolarHBondContact OD1-N 3.16Å; D542-S544 PolarHBondContact OD1-OG 2.63Å; D542-S544 WeakPolarHBondContact OD2-CB 3.47Å; S544-S548 VanDerWaalsContact O-CB 3.24Å; S544-S548 WeakPolarHBondContact O-CB 3.38Å; S544-S548 PolarHBondContact O-N 3.18Å
545	A	89	Confident	79.2	Confident	27 Å²	27	40.8 Å²	40.8	22%	0.223	27%	0.268	C	S	.	.	H	α-helix	trans	-69.8	-43.1	172.6	0	0	0	0	0	111.5	Y139 D542 L543 S548 E549	Y139-A545 WeakPolarHBondContact OH-CB 3.42Å; D542-A545 HydrophobicContact CB-CB 4.07Å; D542-A545 PolarHBondContact O-N 2.94Å; D542-A545 VanDerWaalsContact O-N 3.1Å; L543-A545 PolarHBondContact O-N 3.15Å; A545-S548 PolarHBondContact O-N 2.95Å; A545-E549 WeakPolarHBondContact O-CG 3.44Å; A545-E549 PolarHBondContact O-N 2.88Å
546	L	92.8	Very high	81	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-60.9	-48.1	175.8	-176.6	156.6	0	0	0	111.7	Y139 I143 V520 R524 M527 L528 D542 L543 S548 E549 A550	Y139-L546 HydrophobicContact CD1-CD1 4.43Å; Y139-L546 HydrophobicContact CD2-CB 4.02Å; Y139-L546 HydrophobicContact CD2-CD1 4.2Å; Y139-L546 HydrophobicContact CD2-CG 3.89Å; Y139-L546 HydrophobicContact CE2-CB 3.97Å; Y139-L546 HydrophobicContact CE2-CG 4.36Å; Y139-L546 HydrophobicContact CG-CB 4.43Å; Y139-L546 HydrophobicContact CG-CD1 3.96Å; Y139-L546 HydrophobicContact CG-CG 4.18Å; I143-L546 HydrophobicContact CD1-CG 4.49Å; V520-L546 HydrophobicContact CG1-CD2 4.26Å; R524-L546 HydrophobicContact CB-CD2 4.28Å; M527-L546 HydrophobicContact CB-CD1 3.75Å; M527-L546 HydrophobicContact CE-CD1 4.46Å; L528-L546 HydrophobicContact CD2-CB 4.17Å; L528-L546 HydrophobicContact CD2-CD1 3.77Å; L528-L546 HydrophobicContact CG-CD1 3.87Å; D542-L546 PolarHBondContact O-N 3.25Å; D542-L546 VanDerWaalsContact O-N 3.15Å; L543-L546 PolarHBondContact O-N 2.96Å; L546-S548 VanDerWaalsContact C-N 3.34Å; L546-S548 PolarHBondContact O-N 3.16Å; L546-E549 PolarHBondContact O-N 3.04Å; L546-A550 WeakPolarHBondContact O-CB 3.5Å; L546-A550 PolarHBondContact O-N 3.34Å
547	L	94.1	Very high	83.4	Confident	3 Å²	3	32 Å²	32	2%	0.016	21%	0.205	C	C	.	.	H	α-helix	trans	-64.3	-39.8	178.7	-67	174.2	0	0	0	111.6	F395 L399 L521 L543 E549 A550 F551	F395-L547 HydrophobicContact CB-CD1 3.27Å; F395-L547 HydrophobicContact CD1-CD1 4.26Å; F395-L547 HydrophobicContact CD2-CB 4.07Å; F395-L547 HydrophobicContact CD2-CD1 3.65Å; F395-L547 HydrophobicContact CE2-CB 4.01Å; F395-L547 HydrophobicContact CE2-CD1 4.41Å; F395-L547 HydrophobicContact CG-CD1 3.51Å; L399-L547 HydrophobicContact CD1-CD1 3.81Å; L399-L547 HydrophobicContact CD1-CD2 4.33Å; L521-L547 HydrophobicContact CD2-CD2 3.11Å; L543-L547 HydrophobicContact CD1-CD1 3.86Å; L543-L547 HydrophobicContact CD1-CD2 4.38Å; L543-L547 HydrophobicContact CD1-CG 3.91Å; L543-L547 HydrophobicContact CD2-CD1 4.26Å; L543-L547 HydrophobicContact CG-CD1 3.68Å; L543-L547 HydrophobicContact CG-CG 4.16Å; L543-L547 WeakPolarHBondContact O-CB 3.45Å; L543-L547 WeakPolarHBondContact O-CG 3.31Å; L543-L547 PolarHBondContact O-N 3.23Å; L547-E549 PolarHBondContact O-N 3.3Å; L547-A550 WeakPolarHBondContact O-CB 3.24Å; L547-A550 PolarHBondContact O-N 2.83Å; L547-F551 WeakPolarHBondContact O-CD2 3.4Å; L547-F551 PolarHBondContact O-N 2.87Å; L547-F551 VanDerWaalsContact O-N 3.08Å
548	S	92.7	Very high	85.6	Confident	9 Å²	9	28.2 Å²	28.2	6%	0.063	17%	0.166	C	C	.	.	H	α-helix	trans	-62.7	-42.9	176	-162.2	0	0	0	0	112.4	R389 S544 A545 L546 A550 F551 V552	R389-S548 PolarHBondContact NH1-OG 3.22Å; R389-S548 PolarHBondContact NH2-OG 3.46Å; S544-S548 VanDerWaalsContact O-CB 3.24Å; S544-S548 WeakPolarHBondContact O-CB 3.38Å; S544-S548 PolarHBondContact O-N 3.18Å; A545-S548 PolarHBondContact O-N 2.95Å; L546-S548 VanDerWaalsContact C-N 3.34Å; L546-S548 PolarHBondContact O-N 3.16Å; S548-A550 VanDerWaalsContact C-N 3.35Å; S548-F551 PolarHBondContact O-N 3.26Å; S548-V552 WeakPolarHBondContact O-CB 3.49Å; S548-V552 VanDerWaalsContact O-CG2 3.24Å; S548-V552 WeakPolarHBondContact O-CG2 3.26Å; S548-V552 PolarHBondContact O-N 2.86Å
549	E	93.8	Very high	87.9	Confident	24 Å²	24	21.7 Å²	21.7	11%	0.112	14%	0.136	C	C	.	.	H	α-helix	trans	-65.6	-36.3	175.3	-69.6	-81.5	-150.8	0	0	112.2	Y139 I140 I143 A545 L546 L547 V552 R553 L620 R624	Y139-E549 HydrophobicContact CE2-CB 4.49Å; Y139-E549 HydrophobicContact CE2-CG 4.28Å; I140-E549 HydrophobicContact CD1-CG 4.43Å; I140-E549 WeakPolarHBondContact CD1-OE1 3.45Å; I140-E549 HydrophobicContact CG1-CB 4.42Å; I140-E549 HydrophobicContact CG1-CG 4.05Å; I143-E549 HydrophobicContact CD1-CB 3.97Å; A545-E549 WeakPolarHBondContact O-CG 3.44Å; A545-E549 PolarHBondContact O-N 2.88Å; L546-E549 PolarHBondContact O-N 3.04Å; L547-E549 PolarHBondContact O-N 3.3Å; E549-V552 PolarHBondContact O-N 3.29Å; E549-R553 WeakPolarHBondContact O-CB 3.42Å; E549-R553 PolarHBondContact O-N 3.05Å; E549-L620 HydrophobicContact CG-CD2 4.41Å; E549-R624 IonicContact OE1-CZ 3.54Å; E549-R624 IonicContact OE1-NE 2.67Å; E549-R624 IonicContact OE1-NH2 3.49Å; E549-R624 PolarHBondContact OE1-NH2 2.72Å; E549-R624 IonicContact OE2-CZ 2.72Å; E549-R624 IonicContact OE2-NE 3.14Å; E549-R624 PolarHBondContact OE2-NE 3.15Å; E549-R624 IonicContact OE2-NH2 3.51Å; E549-R624 PolarHBondContact OE2-NH2 3.34Å
550	A	96.8	Very high	90.2	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-62.4	-46.6	176.9	0	0	0	0	0	112.4	I143 L517 V520 L546 L547 S548 R553 F554	I143-A550 HydrophobicContact CD1-CB 4.26Å; L517-A550 HydrophobicContact CD1-CB 3.9Å; V520-A550 HydrophobicContact CB-CB 4.5Å; V520-A550 HydrophobicContact CG1-CB 3.55Å; L546-A550 WeakPolarHBondContact O-CB 3.5Å; L546-A550 PolarHBondContact O-N 3.34Å; L547-A550 WeakPolarHBondContact O-CB 3.24Å; L547-A550 PolarHBondContact O-N 2.83Å; S548-A550 VanDerWaalsContact C-N 3.35Å; A550-R553 PolarHBondContact O-N 2.95Å; A550-F554 PolarHBondContact O-N 3.32Å; A550-F554 VanDerWaalsContact O-N 3.09Å
551	F	97.3	Very high	92.2	Very high	4 Å²	4	10.8 Å²	10.8	2%	0.018	6%	0.064	C	C	.	.	H	α-helix	trans	-75.5	-34.4	178.1	-80.6	-102.1	0	0	0	112.3	L408 F411 L440 L517 L521 L547 S548 R553 F554 F555	L408-F551 HydrophobicContact CD2-CZ 4.13Å; F411-F551 AromaticContact CD1-CE1 3.78Å; F411-F551 HydrophobicContact CD1-CE1 3.78Å; F411-F551 HydrophobicContact CD2-CD1 4.12Å; F411-F551 AromaticContact CD2-CE1 3.7Å; F411-F551 HydrophobicContact CD2-CE1 3.7Å; F411-F551 HydrophobicContact CE1-CD1 4.05Å; F411-F551 AromaticContact CE1-CE1 3.73Å; F411-F551 HydrophobicContact CE1-CE1 3.73Å; F411-F551 AromaticContact CE2-CD1 3.62Å; F411-F551 HydrophobicContact CE2-CD1 3.62Å; F411-F551 AromaticContact CE2-CE1 3.67Å; F411-F551 HydrophobicContact CE2-CE1 3.67Å; F411-F551 AromaticContact CG-CE1 3.75Å; F411-F551 HydrophobicContact CG-CE1 3.75Å; F411-F551 AromaticContact CZ-CD1 3.57Å; F411-F551 HydrophobicContact CZ-CD1 3.57Å; F411-F551 AromaticContact CZ-CE1 3.67Å; F411-F551 HydrophobicContact CZ-CE1 3.67Å; L440-F551 HydrophobicContact CB-CD1 3.82Å; L440-F551 HydrophobicContact CB-CE1 3.85Å; L440-F551 HydrophobicContact CB-CG 4.33Å; L440-F551 HydrophobicContact CB-CZ 4.38Å; L440-F551 HydrophobicContact CD1-CE1 3.98Å; L440-F551 HydrophobicContact CD1-CE2 4.34Å; L440-F551 HydrophobicContact CD1-CZ 3.78Å; L440-F551 HydrophobicContact CD2-CD1 4.13Å; L440-F551 HydrophobicContact CD2-CD2 3.67Å; L440-F551 HydrophobicContact CD2-CE1 4.09Å; L440-F551 HydrophobicContact CD2-CE2 3.61Å; L440-F551 HydrophobicContact CD2-CG 3.93Å; L440-F551 HydrophobicContact CD2-CZ 3.84Å; L440-F551 HydrophobicContact CG-CD1 4.42Å; L440-F551 HydrophobicContact CG-CE1 4.19Å; L440-F551 HydrophobicContact CG-CE2 4.47Å; L440-F551 HydrophobicContact CG-CZ 4.22Å; L440-F551 WeakPolarHBondContact O-CD1 3.39Å; L517-F551 HydrophobicContact CD1-CD2 3.91Å; L517-F551 HydrophobicContact CD1-CE2 3.9Å; L517-F551 HydrophobicContact CD1-CG 4.37Å; L517-F551 HydrophobicContact CD1-CZ 4.33Å; L517-F551 HydrophobicContact CD2-CD1 4.09Å; L517-F551 HydrophobicContact CD2-CE1 3.76Å; L517-F551 HydrophobicContact CD2-CE2 4.26Å; L517-F551 HydrophobicContact CD2-CG 4.49Å; L517-F551 HydrophobicContact CD2-CZ 3.85Å; L517-F551 HydrophobicContact CG-CE2 4.35Å; L517-F551 HydrophobicContact CG-CZ 4.32Å; L521-F551 HydrophobicContact CD1-CE2 4.07Å; L521-F551 HydrophobicContact CD1-CZ 4.2Å; L521-F551 HydrophobicContact CD2-CE2 4.08Å; L547-F551 WeakPolarHBondContact O-CD2 3.4Å; L547-F551 PolarHBondContact O-N 2.87Å; L547-F551 VanDerWaalsContact O-N 3.08Å; S548-F551 PolarHBondContact O-N 3.26Å; F551-R553 VanDerWaalsContact C-N 3.35Å; F551-R553 PolarHBondContact O-N 2.89Å; F551-F554 WeakPolarHBondContact O-CB 3.5Å; F551-F554 PolarHBondContact O-N 3.24Å; F551-F555 WeakPolarHBondContact O-CD2 3.41Å; F551-F555 PolarHBondContact O-N 2.96Å
552	V	96.1	Very high	93.8	Very high	1 Å²	1	10.8 Å²	10.8	1%	0.006	6%	0.058	C	C	.	.	H	α-helix	trans	-60.6	-43.7	169.5	166.9	0	0	0	0	110.8	Y442 S548 E549 F554 F555 V556 L620 Y621 R624	Y442-V552 HydrophobicContact CD1-CG2 3.62Å; Y442-V552 HydrophobicContact CE1-CG2 3.69Å; S548-V552 WeakPolarHBondContact O-CB 3.49Å; S548-V552 VanDerWaalsContact O-CG2 3.24Å; S548-V552 WeakPolarHBondContact O-CG2 3.26Å; S548-V552 PolarHBondContact O-N 2.86Å; E549-V552 PolarHBondContact O-N 3.29Å; V552-F554 VanDerWaalsContact C-N 3.34Å; V552-F554 PolarHBondContact O-N 3.03Å; V552-F555 PolarHBondContact O-N 2.94Å; V552-V556 HydrophobicContact CG1-CG2 4.22Å; V552-V556 VanDerWaalsContact O-CG2 3.31Å; V552-V556 WeakPolarHBondContact O-CG2 3.44Å; V552-V556 PolarHBondContact O-N 2.86Å; V552-L620 HydrophobicContact CG1-CG 4.49Å; V552-L620 HydrophobicContact CG2-CD2 4.27Å; V552-Y621 HydrophobicContact CG1-CD2 4.46Å; V552-R624 HydrophobicContact CG1-CB 4Å; V552-R624 HydrophobicContact CG1-CG 3.68Å
553	R	96.8	Very high	94.3	Very high	26 Å²	26	9.5 Å²	9.5	10%	0.098	5%	0.054	C	C	.	.	H	α-helix	trans	-62	-41.5	176	-175.4	59.7	-179.3	-149.4	-1.3	112	I143 F147 D148 E549 A550 F551 F555 V556 E557	I143-R553 HydrophobicContact CG2-CB 3.75Å; I143-R553 HydrophobicContact CG2-CG 3.99Å; F147-R553 HydrophobicContact CB-CG 4.08Å; F147-R553 HydrophobicContact CD1-CG 4.26Å; F147-R553 HydrophobicContact CD2-CB 4.16Å; F147-R553 HydrophobicContact CD2-CG 3.53Å; F147-R553 HydrophobicContact CE2-CB 4.11Å; F147-R553 HydrophobicContact CE2-CG 3.97Å; F147-R553 HydrophobicContact CG-CG 3.69Å; D148-R553 IonicContact OD1-NH2 3.75Å; D148-R553 PolarHBondContact OD1-NH2 3.03Å; E549-R553 WeakPolarHBondContact O-CB 3.42Å; E549-R553 PolarHBondContact O-N 3.05Å; A550-R553 PolarHBondContact O-N 2.95Å; F551-R553 VanDerWaalsContact C-N 3.35Å; F551-R553 PolarHBondContact O-N 2.89Å; R553-F555 VanDerWaalsContact C-N 3.32Å; R553-F555 PolarHBondContact O-N 3.32Å; R553-V556 PolarHBondContact O-N 3.02Å; R553-E557 IonicContact CZ-OE1 3Å; R553-E557 IonicContact NE-OE1 3.59Å; R553-E557 PolarHBondContact NE-OE1 3.36Å; R553-E557 IonicContact NH2-OE1 3.87Å; R553-E557 PolarHBondContact NH2-OE1 2.92Å; R553-E557 PolarHBondContact O-N 2.86Å
554	F	97.8	Very high	94.5	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-53.6	-47.7	172.8	171.2	-89.4	0	0	0	111.7	F147 F411 L415 L509 L513 L517 A550 F551 V552 L558	F147-F554 HydrophobicContact CE1-CB 4.1Å; F147-F554 HydrophobicContact CE1-CD2 4.47Å; F147-F554 HydrophobicContact CZ-CB 3.9Å; F411-F554 HydrophobicContact CE1-CD1 4.16Å; F411-F554 AromaticContact CE1-CE1 3.81Å; F411-F554 HydrophobicContact CE1-CE1 3.81Å; F411-F554 HydrophobicContact CE1-CZ 4.1Å; F411-F554 AromaticContact CZ-CD1 3.98Å; F411-F554 HydrophobicContact CZ-CD1 3.98Å; F411-F554 AromaticContact CZ-CE1 3.82Å; F411-F554 HydrophobicContact CZ-CE1 3.82Å; L415-F554 HydrophobicContact CD1-CE1 4.04Å; L415-F554 HydrophobicContact CD1-CZ 4.31Å; L509-F554 HydrophobicContact CD2-CZ 4.03Å; L513-F554 HydrophobicContact CB-CD2 3.81Å; L513-F554 HydrophobicContact CB-CE2 3.68Å; L513-F554 HydrophobicContact CD1-CE2 4.27Å; L517-F554 HydrophobicContact CD2-CB 4.22Å; L517-F554 HydrophobicContact CD2-CD2 3.99Å; L517-F554 HydrophobicContact CD2-CG 4.13Å; A550-F554 PolarHBondContact O-N 3.32Å; A550-F554 VanDerWaalsContact O-N 3.09Å; F551-F554 WeakPolarHBondContact O-CB 3.5Å; F551-F554 PolarHBondContact O-N 3.24Å; V552-F554 VanDerWaalsContact C-N 3.34Å; V552-F554 PolarHBondContact O-N 3.03Å; F554-L558 HydrophobicContact CE1-CD2 3.79Å; F554-L558 HydrophobicContact CZ-CD2 4.19Å; F554-L558 VanDerWaalsContact O-CB 3.29Å; F554-L558 WeakPolarHBondContact O-CB 3.24Å; F554-L558 PolarHBondContact O-N 3.33Å; F554-L558 VanDerWaalsContact O-N 3.14Å
555	F	97.9	Very high	94.6	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-71.1	-33.5	177.8	-68.8	-62.9	0	0	0	113.8	F411 L415 L440 L441 Y442 F444 F551 V552 R553 E557 L558 V559 G560 Y621	F411-F555 HydrophobicContact CE2-CE2 4.37Å; F411-F555 AromaticContact CE2-CZ 3.89Å; F411-F555 HydrophobicContact CE2-CZ 3.89Å; F411-F555 HydrophobicContact CZ-CE1 4.38Å; F411-F555 HydrophobicContact CZ-CE2 4.24Å; F411-F555 AromaticContact CZ-CZ 3.73Å; F411-F555 HydrophobicContact CZ-CZ 3.73Å; L415-F555 HydrophobicContact CD2-CE1 3.76Å; L415-F555 HydrophobicContact CD2-CZ 3.87Å; L440-F555 WeakPolarHBondContact O-CE2 3.2Å; L441-F555 WeakPolarHBondContact O-CE2 3.33Å; L441-F555 WeakPolarHBondContact O-CZ 3.38Å; Y442-F555 WeakPolarHBondContact O-CD2 3.49Å; Y442-F555 WeakPolarHBondContact O-CE2 3.49Å; F444-F555 AromaticContact CD2-CD1 3.92Å; F444-F555 HydrophobicContact CD2-CD1 3.92Å; F444-F555 AromaticContact CD2-CE1 3.69Å; F444-F555 HydrophobicContact CD2-CE1 3.69Å; F444-F555 HydrophobicContact CD2-CG 4.46Å; F444-F555 HydrophobicContact CD2-CZ 4.05Å; F444-F555 AromaticContact CE2-CD1 3.54Å; F444-F555 HydrophobicContact CE2-CD1 3.54Å; F444-F555 AromaticContact CE2-CE1 3.74Å; F444-F555 HydrophobicContact CE2-CE1 3.74Å; F444-F555 HydrophobicContact CE2-CG 4.16Å; F551-F555 WeakPolarHBondContact O-CD2 3.41Å; F551-F555 PolarHBondContact O-N 2.96Å; V552-F555 PolarHBondContact O-N 2.94Å; R553-F555 VanDerWaalsContact C-N 3.32Å; R553-F555 PolarHBondContact O-N 3.32Å; F555-E557 PolarHBondContact O-N 2.85Å; F555-L558 HydrophobicContact CD1-CD2 3.98Å; F555-L558 HydrophobicContact CE1-CD2 4.37Å; F555-L558 PolarHBondContact O-N 3.01Å; F555-L558 VanDerWaalsContact O-N 3.15Å; F555-V559 HydrophobicContact CB-CG2 4.31Å; F555-V559 WeakPolarHBondContact O-CG2 3.29Å; F555-V559 PolarHBondContact O-N 2.77Å; F555-G560 PolarHBondContact O-N 2.88Å; F555-Y621 HydrophobicContact CB-CD2 4.35Å; F555-Y621 HydrophobicContact CB-CE2 4.06Å
556	V	96.4	Very high	94.6	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-62.7	-41.6	175.5	169.3	0	0	0	0	111.4	V552 R553 L558 G560 Y621 R624 V625 Y628	V552-V556 HydrophobicContact CG1-CG2 4.22Å; V552-V556 VanDerWaalsContact O-CG2 3.31Å; V552-V556 WeakPolarHBondContact O-CG2 3.44Å; V552-V556 PolarHBondContact O-N 2.86Å; R553-V556 PolarHBondContact O-N 3.02Å; V556-L558 VanDerWaalsContact C-N 3.33Å; V556-L558 PolarHBondContact O-N 3.05Å; V556-G560 WeakPolarHBondContact O-CA 3.18Å; V556-G560 PolarHBondContact O-N 2.85Å; V556-Y621 HydrophobicContact CG2-CD2 3.83Å; V556-Y621 HydrophobicContact CG2-CE2 3.85Å; V556-R624 HydrophobicContact CG2-CB 3.71Å; V556-V625 HydrophobicContact CG2-CG2 4.09Å; V556-Y628 VanDerWaalsContact CG1-CB 3.46Å; V556-Y628 HydrophobicContact CG1-CD1 4.29Å; V556-Y628 HydrophobicContact CG1-CD2 3.7Å; V556-Y628 HydrophobicContact CG1-CE2 4.49Å; V556-Y628 HydrophobicContact CG1-CG 3.57Å
557	E	95.3	Very high	94.4	Very high	1 Å²	1	15.5 Å²	15.5	1%	0.005	8%	0.082	C	C	.	.	H	α-helix	trans	-67	-32.9	172.3	-63.4	-66.4	161.8	0	0	112.8	F147 R151 L513 R553 F555 H585	F147-E557 HydrophobicContact CD1-CG 3.94Å; R151-E557 VanDerWaalsContact CD-OE2 3.27Å; R151-E557 WeakPolarHBondContact CD-OE2 3.47Å; R151-E557 IonicContact CZ-OE2 3.2Å; R151-E557 IonicContact NE-OE2 2.61Å; R151-E557 IonicContact NH1-OE1 3.65Å; R151-E557 PolarHBondContact NH1-OE1 2.9Å; R151-E557 IonicContact NH1-OE2 2.84Å; R151-E557 PolarHBondContact NH1-OE2 2.94Å; L513-E557 HydrophobicContact CD1-CB 4.44Å; L513-E557 HydrophobicContact CD2-CB 3.72Å; L513-E557 HydrophobicContact CD2-CG 4.16Å; R553-E557 IonicContact CZ-OE1 3Å; R553-E557 IonicContact NE-OE1 3.59Å; R553-E557 PolarHBondContact NE-OE1 3.36Å; R553-E557 IonicContact NH2-OE1 3.87Å; R553-E557 PolarHBondContact NH2-OE1 2.92Å; R553-E557 PolarHBondContact O-N 2.86Å; F555-E557 PolarHBondContact O-N 2.85Å; E557-H585 PolarHBondContact O-NE2 2.72Å
558	L	95.9	Very high	93.9	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-80.9	-41.8	-173.1	-168.9	76.2	0	0	0	113.8	P510 L513 F554 F555 V556 V590 F593 L594 F597	P510-L558 HydrophobicContact CG-CD1 4.17Å; L513-L558 HydrophobicContact CD1-CB 4.4Å; L513-L558 HydrophobicContact CD1-CD1 3.83Å; F554-L558 HydrophobicContact CE1-CD2 3.79Å; F554-L558 HydrophobicContact CZ-CD2 4.19Å; F554-L558 VanDerWaalsContact O-CB 3.29Å; F554-L558 WeakPolarHBondContact O-CB 3.24Å; F554-L558 PolarHBondContact O-N 3.33Å; F554-L558 VanDerWaalsContact O-N 3.14Å; F555-L558 HydrophobicContact CD1-CD2 3.98Å; F555-L558 HydrophobicContact CE1-CD2 4.37Å; F555-L558 PolarHBondContact O-N 3.01Å; F555-L558 VanDerWaalsContact O-N 3.15Å; V556-L558 VanDerWaalsContact C-N 3.33Å; V556-L558 PolarHBondContact O-N 3.05Å; L558-V590 HydrophobicContact CD1-CG1 4.02Å; L558-F593 HydrophobicContact CD1-CD1 3.83Å; L558-F593 HydrophobicContact CD1-CE1 4.12Å; L558-F593 HydrophobicContact CD2-CD1 4.32Å; L558-F593 HydrophobicContact CD2-CE1 3.77Å; L558-F593 HydrophobicContact CG-CD1 4.44Å; L558-F593 HydrophobicContact CG-CE1 4.36Å; L558-L594 HydrophobicContact CG-CD2 4.46Å; L558-F597 HydrophobicContact CD2-CE1 4.48Å
559	V	96.1	Very high	93.2	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-138.3	-2.9	-169.6	-64.2	0	0	0	0	113.9	F444 F555 H561 Y562 F581 L594 F597 F603 Y621	F444-V559 HydrophobicContact CE2-CG2 4.16Å; F444-V559 HydrophobicContact CZ-CG1 4.43Å; F444-V559 HydrophobicContact CZ-CG2 3.98Å; F555-V559 HydrophobicContact CB-CG2 4.31Å; F555-V559 WeakPolarHBondContact O-CG2 3.29Å; F555-V559 PolarHBondContact O-N 2.77Å; V559-H561 PolarHBondContact O-N 3.34Å; V559-H561 VanDerWaalsContact O-N 3.1Å; V559-Y562 WeakPolarHBondContact O-CB 3.16Å; V559-Y562 WeakPolarHBondContact O-CD1 3.22Å; V559-Y562 PolarHBondContact O-N 3.17Å; V559-F581 HydrophobicContact CB-CZ 3.98Å; V559-F581 HydrophobicContact CG1-CZ 3.95Å; V559-L594 HydrophobicContact CG1-CD2 3.93Å; V559-F597 HydrophobicContact CG1-CE1 4.23Å; V559-F603 HydrophobicContact CG1-CE2 4.26Å; V559-Y621 HydrophobicContact CG2-CE2 4.39Å; V559-Y621 WeakPolarHBondContact CG2-OH 3.4Å
560	G	94.3	Very high	92.1	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-21.3	-173.7	0	0	0	0	0	115	F555 V556 Y562 P563 V625	F555-G560 PolarHBondContact O-N 2.88Å; V556-G560 WeakPolarHBondContact O-CA 3.18Å; V556-G560 PolarHBondContact O-N 2.85Å; G560-Y562 PolarHBondContact O-N 2.87Å; G560-P563 WeakPolarHBondContact O-CD 3.23Å; G560-V625 WeakPolarHBondContact O-CG1 3.02Å
561	H	94.1	Very high	90.8	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	0.1	173.7	66.4	-64.2	0	0	0	114.5	V156 V559 P563 L564 H565 F581 S584	V156-H561 HydrophobicContact CB-CB 4.23Å; V156-H561 HydrophobicContact CG1-CB 3.85Å; V156-H561 HydrophobicContact CG2-CB 4.13Å; V559-H561 PolarHBondContact O-N 3.34Å; V559-H561 VanDerWaalsContact O-N 3.1Å; H561-P563 VanDerWaalsContact C-N 3.31Å; H561-P563 WeakPolarHBondContact O-CD 3.05Å; H561-P563 VanDerWaalsContact O-N 3.15Å; H561-L564 HydrophobicContact CB-CD1 4.48Å; H561-L564 WeakPolarHBondContact O-CB 3.43Å; H561-L564 PolarHBondContact O-N 2.88Å; H561-L564 VanDerWaalsContact O-N 3.13Å; H561-H565 AromaticContact CD2-CD2 3.77Å; H561-H565 AromaticContact CD2-NE2 3.68Å; H561-H565 PolarHBondContact O-CD2 3.24Å; H561-F581 AromaticContact CD2-CD2 3.75Å; H561-F581 AromaticContact CD2-CE2 3.93Å; H561-F581 AromaticContact CE1-CD2 3.81Å; H561-F581 AromaticContact CE1-CE2 3.32Å; H561-F581 WeakPolarHBondContact CE1-CE2 3.46Å; H561-F581 AromaticContact CE1-CZ 3.89Å; H561-F581 AromaticContact ND1-CE2 3.79Å; H561-F581 AromaticContact NE2-CD2 3.37Å; H561-F581 WeakPolarHBondContact NE2-CD2 3.43Å; H561-F581 AromaticContact NE2-CE2 3.41Å; H561-F581 WeakPolarHBondContact NE2-CE2 3.28Å; H561-F581 PolarHBondContact NE2-O 2.83Å; H561-S584 PolarHBondContact CD2-OG 2.93Å
562	Y	93.5	Very high	89.7	Confident	25 Å²	25	33.6 Å²	33.6	10%	0.098	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-50.2	-36.2	-179.9	85.7	-89.8	0	0	0	115.3	V559 G560 L564 H565 M566 F606 K610 Y621	V559-Y562 WeakPolarHBondContact O-CB 3.16Å; V559-Y562 WeakPolarHBondContact O-CD1 3.22Å; V559-Y562 PolarHBondContact O-N 3.17Å; G560-Y562 PolarHBondContact O-N 2.87Å; Y562-L564 PolarHBondContact O-N 3.47Å; Y562-H565 PolarHBondContact O-N 3.12Å; Y562-M566 HydrophobicContact CD2-CG 3.8Å; Y562-M566 HydrophobicContact CD2-SD 4.07Å; Y562-M566 HydrophobicContact CE2-CG 4.19Å; Y562-M566 WeakPolarHBondContact O-CG 3.44Å; Y562-M566 PolarHBondContact O-N 3.36Å; Y562-F606 HydrophobicContact CD1-CE1 4.28Å; Y562-F606 HydrophobicContact CD1-CZ 4.08Å; Y562-F606 HydrophobicContact CE1-CE1 4.47Å; Y562-F606 AromaticContact CE1-CZ 3.93Å; Y562-F606 HydrophobicContact CE1-CZ 3.93Å; Y562-F606 HydrophobicContact CG-CE1 4.42Å; Y562-K610 HydrophobicContact CD2-CG 4.46Å; Y562-K610 HydrophobicContact CE2-CB 4.07Å; Y562-K610 HydrophobicContact CE2-CD 4.4Å; Y562-K610 HydrophobicContact CE2-CG 3.66Å; Y562-Y621 AromaticContact CE1-CE1 3.91Å; Y562-Y621 HydrophobicContact CE1-CE1 3.91Å
563	P	91.8	Very high	88.7	Confident	49 Å²	49	36.5 Å²	36.5	32%	0.318	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-63.4	-26.6	-177.5	-22.9	36.5	0	0	0	113.3	G560 H561 H565 M566 V625 L629	G560-P563 WeakPolarHBondContact O-CD 3.23Å; H561-P563 VanDerWaalsContact C-N 3.31Å; H561-P563 WeakPolarHBondContact O-CD 3.05Å; H561-P563 VanDerWaalsContact O-N 3.15Å; P563-H565 PolarHBondContact O-N 3Å; P563-M566 PolarHBondContact O-N 2.68Å; P563-V625 HydrophobicContact CG-CG1 4.01Å; P563-L629 HydrophobicContact CB-CD1 4.29Å; P563-L629 HydrophobicContact CG-CD1 3.95Å
564	L	92.2	Very high	88	Confident	68 Å²	68	40.1 Å²	40.1	36%	0.356	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-69.7	-11.5	176.1	-55.1	180	0	0	0	113	H561 Y562 L629	H561-L564 HydrophobicContact CB-CD1 4.48Å; H561-L564 WeakPolarHBondContact O-CB 3.43Å; H561-L564 PolarHBondContact O-N 2.88Å; H561-L564 VanDerWaalsContact O-N 3.13Å; Y562-L564 PolarHBondContact O-N 3.47Å; L564-L629 HydrophobicContact CD1-CD2 3.96Å; L564-L629 HydrophobicContact CD2-CD2 4.32Å; L564-L629 HydrophobicContact CG-CD2 4.03Å
565	H	92.3	Very high	87.6	Confident	16 Å²	16	46 Å²	46	7%	0.074	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-122.8	5.7	-176.5	-59	-77.7	0	0	0	113.2	H561 Y562 P563 L576 Q577 S580 F581 S584	H561-H565 AromaticContact CD2-CD2 3.77Å; H561-H565 AromaticContact CD2-NE2 3.68Å; H561-H565 PolarHBondContact O-CD2 3.24Å; Y562-H565 PolarHBondContact O-N 3.12Å; P563-H565 PolarHBondContact O-N 3Å; H565-L576 HydrophobicContact CB-CD1 4.04Å; H565-Q577 PolarHBondContact O-N 3.39Å; H565-S580 PolarHBondContact CE1-O 3.2Å; H565-S580 PolarHBondContact CE1-OG 3.14Å; H565-S580 PolarHBondContact ND1-OG 2.93Å; H565-F581 HydrophobicContact CB-CB 3.79Å; H565-F581 HydrophobicContact CB-CD2 4.49Å; H565-F581 AromaticContact CD2-CD2 3.95Å; H565-F581 PolarHBondContact ND1-N 3.46Å; H565-S584 PolarHBondContact CE1-OG 3.11Å; H565-S584 VanDerWaalsContact CE1-OG 3.29Å; H565-S584 WeakPolarHBondContact NE2-CB 3.24Å; H565-S584 PolarHBondContact NE2-OG 2.93Å
566	M	89.8	Confident	87.2	Confident	35 Å²	35	46.4 Å²	46.4	17%	0.172	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	107.5	169.5	-63	-64.7	-66.7	0	0	108.6	Y562 P563 K574 L576 K610 E611	Y562-M566 HydrophobicContact CD2-CG 3.8Å; Y562-M566 HydrophobicContact CD2-SD 4.07Å; Y562-M566 HydrophobicContact CE2-CG 4.19Å; Y562-M566 WeakPolarHBondContact O-CG 3.44Å; Y562-M566 PolarHBondContact O-N 3.36Å; P563-M566 PolarHBondContact O-N 2.68Å; M566-K574 HydrophobicContact CE-CB 4.18Å; M566-L576 HydrophobicContact CG-CD1 4.47Å; M566-L576 HydrophobicContact SD-CB 3.86Å; M566-L576 HydrophobicContact SD-CD1 3.72Å; M566-L576 HydrophobicContact SD-CG 4.42Å; M566-K610 HydrophobicContact CE-CB 4.13Å; M566-E611 HydrophobicContact CE-CG 3.59Å
567	V	87.9	Confident	87	Confident	64 Å²	64	51 Å²	51	39%	0.388	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	141.4	-178.1	177.6	0	0	0	0	109.9	A569 K574 E575 Q577	V567-A569 PolarHBondContact O-N 2.77Å; V567-K574 CarbonylContact O-C 3.57Å; V567-K574 WeakPolarHBondContact O-CA 3.41Å; V567-E575 PolarHBondContact N-O 2.74Å; V567-E575 PolarHBondContact O-N 2.78Å; V567-Q577 HydrophobicContact CB-CG 4.32Å; V567-Q577 HydrophobicContact CG2-CG 3.92Å
568	E	84.2	Confident	86.9	Confident	131 Å²	131	54.4 Å²	54.4	61%	0.612	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.8	114.2	177	-163	163.9	161.2	0	0	109.9
569	A	77.6	Confident	86.7	Confident	41 Å²	41	60.3 Å²	60.3	34%	0.339	36%	0.36	S	S	.	.			trans	-72.9	163.4	176.4	0	0	0	0	0	111	V567 G571 G572 A573	V567-A569 PolarHBondContact O-N 2.77Å; A569-G571 PolarHBondContact O-N 2.74Å; A569-G572 PolarHBondContact O-N 3.49Å; A569-A573 WeakPolarHBondContact CB-O 3.32Å; A569-A573 PolarHBondContact N-O 2.95Å
570	A	71.1	Confident	86.6	Confident	123 Å²	123	62.6 Å²	62.6	100%	1.017	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-7.1	-174.2	0	0	0	0	0	116.1
571	G	68.9	Low	86.6	Confident	78 Å²	78	62.6 Å²	62.6	80%	0.804	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.1	9.6	172.5	0	0	0	0	0	115.4	A569 A573	A569-G571 PolarHBondContact O-N 2.74Å; G571-A573 PolarHBondContact O-N 2.82Å
572	G	73.3	Confident	86.7	Confident	48 Å²	48	65.4 Å²	65.4	50%	0.495	39%	0.386	S	S	.	.	S	Bend	trans	74.1	9	-176.7	0	0	0	0	0	114.7	A569	A569-G572 PolarHBondContact O-N 3.49Å
573	A	75.5	Confident	86.7	Confident	61 Å²	61	70.1 Å²	70.1	50%	0.504	41%	0.407	S	S	.	.			trans	-85.4	137.1	168.2	0	0	0	0	0	109.2	A569 G571	A569-A573 WeakPolarHBondContact CB-O 3.32Å; A569-A573 PolarHBondContact N-O 2.95Å; G571-A573 PolarHBondContact O-N 2.82Å
574	K	83.3	Confident	86.8	Confident	102 Å²	102	69.7 Å²	69.7	44%	0.443	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	143.4	169.8	-64.1	178.9	-178.4	178.5	0	109	M566 V567 E611	M566-K574 HydrophobicContact CE-CB 4.18Å; V567-K574 CarbonylContact O-C 3.57Å; V567-K574 WeakPolarHBondContact O-CA 3.41Å; K574-E611 WeakPolarHBondContact O-CB 3.28Å; K574-E611 WeakPolarHBondContact O-CG 3.35Å
575	E	87.4	Confident	86.8	Confident	125 Å²	125	66.9 Å²	66.9	58%	0.584	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.5	139.7	178	-174.3	179.7	178.8	0	0	109.9	V567 E611	V567-E575 PolarHBondContact N-O 2.74Å; V567-E575 PolarHBondContact O-N 2.78Å; E575-E611 WeakPolarHBondContact CA-OE1 3.36Å
576	L	90.7	Very high	86.7	Confident	8 Å²	8	67.6 Å²	67.6	4%	0.042	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	120.3	173.4	-175.6	79.3	0	0	0	111.7	H565 M566 R578 F581 M598 F603 I607 E611	H565-L576 HydrophobicContact CB-CD1 4.04Å; M566-L576 HydrophobicContact CG-CD1 4.47Å; M566-L576 HydrophobicContact SD-CB 3.86Å; M566-L576 HydrophobicContact SD-CD1 3.72Å; M566-L576 HydrophobicContact SD-CG 4.42Å; L576-R578 VanDerWaalsContact C-N 3.29Å; L576-R578 HydrophobicContact CD2-CG 4.37Å; L576-R578 PolarHBondContact O-N 2.95Å; L576-F581 HydrophobicContact CD1-CB 4.22Å; L576-F581 HydrophobicContact CD1-CD2 4.37Å; L576-F581 HydrophobicContact CD1-CG 4.21Å; L576-F581 HydrophobicContact CD2-CB 4.49Å; L576-F581 HydrophobicContact CD2-CD1 4.07Å; L576-F581 HydrophobicContact CD2-CG 4.28Å; L576-F581 HydrophobicContact CG-CB 4.44Å; L576-M598 HydrophobicContact CD2-CE 4.38Å; L576-F603 HydrophobicContact CD2-CE1 3.79Å; L576-F603 HydrophobicContact CD2-CZ 3.68Å; L576-I607 HydrophobicContact CB-CD1 4.4Å; L576-I607 HydrophobicContact CB-CG2 3.88Å; L576-I607 HydrophobicContact CD1-CD1 4.28Å; L576-I607 HydrophobicContact CD2-CD1 3.81Å; L576-I607 HydrophobicContact CD2-CG1 4.05Å; L576-I607 HydrophobicContact CG-CD1 4.38Å; L576-E611 PolarHBondContact N-OE1 3.3Å
577	Q	92.6	Very high	86.8	Confident	95 Å²	95	67 Å²	67	44%	0.444	40%	0.396	S	S	.	.			trans	-70.1	79.4	168.7	-67	-166.7	-14.4	0	0	112.1	H565 V567 E579 S580 F581	H565-Q577 PolarHBondContact O-N 3.39Å; V567-Q577 HydrophobicContact CB-CG 4.32Å; V567-Q577 HydrophobicContact CG2-CG 3.92Å; Q577-E579 PolarHBondContact O-N 2.87Å; Q577-S580 WeakPolarHBondContact O-CB 3.24Å; Q577-S580 PolarHBondContact O-N 3.32Å; Q577-F581 PolarHBondContact O-N 3.35Å
578	R	92.4	Very high	87	Confident	73 Å²	73	69.5 Å²	69.5	28%	0.275	40%	0.398	S	S	.	.	H	α-helix	trans	-46.3	-50.7	-172.2	-67.4	175.5	68.5	82.7	-5.6	114.4	L576 R582 M598 E599	L576-R578 VanDerWaalsContact C-N 3.29Å; L576-R578 HydrophobicContact CD2-CG 4.37Å; L576-R578 PolarHBondContact O-N 2.95Å; R578-R582 WeakPolarHBondContact O-CB 3.47Å; R578-R582 PolarHBondContact O-N 2.91Å; R578-M598 HydrophobicContact CB-CE 3.62Å; R578-M598 HydrophobicContact CG-CE 3.88Å; R578-M598 PolarHBondContact NH1-O 3.38Å; R578-M598 VanDerWaalsContact NH2-C 3.3Å; R578-M598 PolarHBondContact NH2-O 2.88Å; R578-E599 IonicContact CZ-OE1 2.95Å; R578-E599 IonicContact NH2-OE1 3.22Å; R578-E599 PolarHBondContact NH2-OE1 2.88Å; R578-E599 IonicContact NH2-OE2 3.92Å; R578-E599 PolarHBondContact NH2-OE2 2.71Å
579	E	92.4	Very high	87.4	Confident	125 Å²	125	63.9 Å²	63.9	58%	0.584	38%	0.376	S	S	*	.	H	α-helix	trans	-68.2	-37.3	179.7	-78	-161.4	-140.1	0	0	113.4	Q577 R582 K583	Q577-E579 PolarHBondContact O-N 2.87Å; E579-R582 PolarHBondContact O-N 2.98Å; E579-K583 VanDerWaalsContact O-CB 3.28Å; E579-K583 WeakPolarHBondContact O-CB 3.29Å; E579-K583 WeakPolarHBondContact O-CG 3.17Å; E579-K583 PolarHBondContact O-N 2.91Å; E579-K583 WeakPolarHBondContact OE2-CE 3.16Å; E579-K583 IonicContact OE2-NZ 3.74Å; E579-K583 PolarHBondContact OE2-NZ 3.4Å
580	S	93.3	Very high	88.3	Confident	48 Å²	48	62 Å²	62	34%	0.336	36%	0.36	S	S	.	.	H	α-helix	trans	-63.7	-50	177.9	-170.7	0	0	0	0	110.1	H565 Q577 R582 K583 S584	H565-S580 PolarHBondContact CE1-O 3.2Å; H565-S580 PolarHBondContact CE1-OG 3.14Å; H565-S580 PolarHBondContact ND1-OG 2.93Å; Q577-S580 WeakPolarHBondContact O-CB 3.24Å; Q577-S580 PolarHBondContact O-N 3.32Å; S580-R582 PolarHBondContact O-N 3.29Å; S580-K583 PolarHBondContact O-N 3.4Å; S580-S584 WeakPolarHBondContact O-CB 3.39Å; S580-S584 PolarHBondContact O-N 3.05Å; S580-S584 PolarHBondContact O-OG 2.82Å
581	F	95.2	Very high	89.4	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-57.6	-41.2	175.6	171.1	-106.5	0	0	0	113.5	V559 H561 H565 L576 Q577 S584 L594 M598 F603	V559-F581 HydrophobicContact CB-CZ 3.98Å; V559-F581 HydrophobicContact CG1-CZ 3.95Å; H561-F581 AromaticContact CD2-CD2 3.75Å; H561-F581 AromaticContact CD2-CE2 3.93Å; H561-F581 AromaticContact CE1-CD2 3.81Å; H561-F581 AromaticContact CE1-CE2 3.32Å; H561-F581 WeakPolarHBondContact CE1-CE2 3.46Å; H561-F581 AromaticContact CE1-CZ 3.89Å; H561-F581 AromaticContact ND1-CE2 3.79Å; H561-F581 AromaticContact NE2-CD2 3.37Å; H561-F581 WeakPolarHBondContact NE2-CD2 3.43Å; H561-F581 AromaticContact NE2-CE2 3.41Å; H561-F581 WeakPolarHBondContact NE2-CE2 3.28Å; H561-F581 PolarHBondContact NE2-O 2.83Å; H565-F581 HydrophobicContact CB-CB 3.79Å; H565-F581 HydrophobicContact CB-CD2 4.49Å; H565-F581 AromaticContact CD2-CD2 3.95Å; H565-F581 PolarHBondContact ND1-N 3.46Å; L576-F581 HydrophobicContact CD1-CB 4.22Å; L576-F581 HydrophobicContact CD1-CD2 4.37Å; L576-F581 HydrophobicContact CD1-CG 4.21Å; L576-F581 HydrophobicContact CD2-CB 4.49Å; L576-F581 HydrophobicContact CD2-CD1 4.07Å; L576-F581 HydrophobicContact CD2-CG 4.28Å; L576-F581 HydrophobicContact CG-CB 4.44Å; Q577-F581 PolarHBondContact O-N 3.35Å; F581-S584 PolarHBondContact O-OG 3.33Å; F581-L594 HydrophobicContact CE1-CD1 4.34Å; F581-L594 HydrophobicContact CE1-CD2 4.24Å; F581-M598 HydrophobicContact CD1-CE 3.74Å; F581-M598 HydrophobicContact CD1-SD 3.71Å; F581-M598 HydrophobicContact CE1-CE 4.28Å; F581-M598 HydrophobicContact CE1-CG 4.32Å; F581-M598 HydrophobicContact CE1-SD 3.86Å; F581-F603 HydrophobicContact CD1-CZ 4.32Å; F581-F603 AromaticContact CE1-CE2 3.98Å; F581-F603 HydrophobicContact CE1-CE2 3.98Å; F581-F603 AromaticContact CE1-CZ 3.71Å; F581-F603 HydrophobicContact CE1-CZ 3.71Å; F581-F603 HydrophobicContact CZ-CE2 4.31Å; F581-F603 HydrophobicContact CZ-CZ 4.32Å
582	R	95.6	Very high	90.6	Very high	59 Å²	59	58.7 Å²	58.7	22%	0.223	30%	0.299	C	S	.	.	H	α-helix	trans	-73.4	-39.7	177.3	-166.9	179.3	72.5	89.8	-6.2	112.3	R578 E579 S580 R591 L594 M598	R578-R582 WeakPolarHBondContact O-CB 3.47Å; R578-R582 PolarHBondContact O-N 2.91Å; E579-R582 PolarHBondContact O-N 2.98Å; S580-R582 PolarHBondContact O-N 3.29Å; R582-R591 PolarHBondContact NH1-O 3.15Å; R582-R591 VanDerWaalsContact O-CD 3.29Å; R582-R591 WeakPolarHBondContact O-CD 3.48Å; R582-R591 WeakPolarHBondContact O-CG 3.43Å; R582-L594 HydrophobicContact CG-CB 3.99Å; R582-M598 HydrophobicContact CB-SD 4.09Å; R582-M598 HydrophobicContact CG-SD 4.41Å
583	K	94.3	Very high	91.7	Very high	124 Å²	124	56.7 Å²	56.7	54%	0.539	28%	0.277	S	S	.	.	H	α-helix	trans	-75.8	-29.4	-175.8	-71.5	172.6	-171.2	175	0	113.1	E579 S580 H585	E579-K583 VanDerWaalsContact O-CB 3.28Å; E579-K583 WeakPolarHBondContact O-CB 3.29Å; E579-K583 WeakPolarHBondContact O-CG 3.17Å; E579-K583 PolarHBondContact O-N 2.91Å; E579-K583 WeakPolarHBondContact OE2-CE 3.16Å; E579-K583 IonicContact OE2-NZ 3.74Å; E579-K583 PolarHBondContact OE2-NZ 3.4Å; S580-K583 PolarHBondContact O-N 3.4Å; K583-H585 VanDerWaalsContact C-N 3.33Å; K583-H585 PolarHBondContact O-N 3.1Å
584	S	92.5	Very high	92.6	Very high	40 Å²	40	53.8 Å²	53.8	28%	0.28	25%	0.253	S	S	.	.	H	α-helix	trans	-70.1	-23.6	-178.6	61.6	0	0	0	0	114.6	H561 H565 S580 F581	H561-S584 PolarHBondContact CD2-OG 2.93Å; H565-S584 PolarHBondContact CE1-OG 3.11Å; H565-S584 VanDerWaalsContact CE1-OG 3.29Å; H565-S584 WeakPolarHBondContact NE2-CB 3.24Å; H565-S584 PolarHBondContact NE2-OG 2.93Å; S580-S584 WeakPolarHBondContact O-CB 3.39Å; S580-S584 PolarHBondContact O-N 3.05Å; S580-S584 PolarHBondContact O-OG 2.82Å; F581-S584 PolarHBondContact O-OG 3.33Å
585	H	93.2	Very high	93.1	Very high	9 Å²	9	52.8 Å²	52.8	4%	0.042	25%	0.25	C	S	.	.			trans	-69.9	128.8	-178.2	-172	-78.4	0	0	0	112	E557 K583 S587 V590 R591	E557-H585 PolarHBondContact O-NE2 2.72Å; K583-H585 VanDerWaalsContact C-N 3.33Å; K583-H585 PolarHBondContact O-N 3.1Å; H585-S587 PolarHBondContact ND1-N 2.77Å; H585-V590 HydrophobicContact CB-CG1 4.43Å; H585-V590 VanDerWaalsContact CE1-CB 3.45Å; H585-V590 WeakPolarHBondContact CE1-CB 3.48Å; H585-V590 VanDerWaalsContact ND1-CB 3.32Å; H585-V590 WeakPolarHBondContact ND1-CB 3.42Å; H585-V590 VanDerWaalsContact ND1-CG1 3.35Å; H585-V590 WeakPolarHBondContact ND1-CG1 2.97Å; H585-R591 HydrophobicContact CB-CG 4.31Å; H585-R591 VanDerWaalsContact O-CD 3.3Å; H585-R591 WeakPolarHBondContact O-CD 3.38Å; H585-R591 WeakPolarHBondContact O-CG 3.49Å; H585-R591 PolarHBondContact O-NH1 3.48Å
586	P	90.2	Very high	93.4	Very high	31 Å²	31	47.1 Å²	47.1	20%	0.201	22%	0.223	C	C	.	.	S	Bend	trans	-70.3	-35.4	-168.6	24.7	-34.9	0	0	0	116	K154 R591	K154-P586 HydrophobicContact CB-CB 3.95Å; K154-P586 HydrophobicContact CB-CG 4.31Å; K154-P586 HydrophobicContact CD-CB 4.45Å; P586-R591 PolarHBondContact O-NH1 3.32Å
587	S	92.5	Very high	93.6	Very high	23 Å²	23	46.7 Å²	46.7	16%	0.161	22%	0.221	C	C	.	.			trans	-77.7	132.4	-179.5	170.5	0	0	0	0	112.7	H585 G589 V590 R591	H585-S587 PolarHBondContact ND1-N 2.77Å; S587-G589 PolarHBondContact OG-N 3.09Å; S587-V590 PolarHBondContact O-N 2.87Å; S587-R591 WeakPolarHBondContact O-CG 3.38Å; S587-R591 PolarHBondContact O-N 3.41Å; S587-R591 VanDerWaalsContact O-N 3.14Å
588	R	91.9	Very high	93.7	Very high	115 Å²	115	42.5 Å²	42.5	43%	0.434	20%	0.202	S	C	.	.	H	α-helix	trans	-58.8	-50.3	174.2	176.4	-177.3	174.4	161.9	-1.2	111.9	D177 V590 R591 Q592	D177-R588 IonicContact OD1-CZ 3.79Å; D177-R588 IonicContact OD1-NE 3.36Å; D177-R588 IonicContact OD1-NH2 2.75Å; D177-R588 PolarHBondContact OD1-NH2 3.49Å; R588-V590 VanDerWaalsContact C-N 3.28Å; R588-V590 PolarHBondContact O-N 3.26Å; R588-R591 CarbonylContact O-C 3.6Å; R588-R591 WeakPolarHBondContact O-CA 3.48Å; R588-R591 WeakPolarHBondContact O-CB 3.25Å; R588-R591 PolarHBondContact O-N 2.92Å; R588-Q592 PolarHBondContact O-N 2.99Å
589	G	92.4	Very high	93.6	Very high	14 Å²	14	41.6 Å²	41.6	14%	0.144	20%	0.201	C	C	.	.	H	α-helix	trans	-58.5	-38.5	-178.7	0	0	0	0	0	112.8	S587 Q592 F593	S587-G589 PolarHBondContact OG-N 3.09Å; G589-Q592 PolarHBondContact O-N 3.22Å; G589-F593 PolarHBondContact O-N 2.71Å
590	V	94.9	Very high	93.6	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.012	17%	0.173	C	C	.	.	H	α-helix	trans	-66.3	-41.7	172.5	176.9	0	0	0	0	111.5	P510 L513 L558 H585 S587 R588 Q592 F593 L594	P510-V590 HydrophobicContact CB-CG2 3.61Å; P510-V590 HydrophobicContact CG-CB 4.33Å; P510-V590 HydrophobicContact CG-CG2 3.71Å; L513-V590 HydrophobicContact CD1-CG2 3.92Å; L558-V590 HydrophobicContact CD1-CG1 4.02Å; H585-V590 HydrophobicContact CB-CG1 4.43Å; H585-V590 VanDerWaalsContact CE1-CB 3.45Å; H585-V590 WeakPolarHBondContact CE1-CB 3.48Å; H585-V590 VanDerWaalsContact ND1-CB 3.32Å; H585-V590 WeakPolarHBondContact ND1-CB 3.42Å; H585-V590 VanDerWaalsContact ND1-CG1 3.35Å; H585-V590 WeakPolarHBondContact ND1-CG1 2.97Å; S587-V590 PolarHBondContact O-N 2.87Å; R588-V590 VanDerWaalsContact C-N 3.28Å; R588-V590 PolarHBondContact O-N 3.26Å; V590-Q592 PolarHBondContact O-N 2.48Å; V590-F593 PolarHBondContact O-N 2.77Å; V590-L594 HydrophobicContact CG1-CD1 3.82Å; V590-L594 HydrophobicContact CG1-CG 4.03Å; V590-L594 WeakPolarHBondContact O-CB 3.45Å; V590-L594 VanDerWaalsContact O-CG 3.3Å; V590-L594 WeakPolarHBondContact O-CG 3.29Å; V590-L594 PolarHBondContact O-N 2.95Å
591	R	95.5	Very high	93.4	Very high	74 Å²	74	34.5 Å²	34.5	28%	0.279	16%	0.162	S	C	.	.	H	α-helix	trans	-64.7	-25.6	175.7	-64.4	-162.6	-63.7	-80.2	-0.8	113.7	R582 H585 P586 S587 R588	R582-R591 PolarHBondContact NH1-O 3.15Å; R582-R591 VanDerWaalsContact O-CD 3.29Å; R582-R591 WeakPolarHBondContact O-CD 3.48Å; R582-R591 WeakPolarHBondContact O-CG 3.43Å; H585-R591 HydrophobicContact CB-CG 4.31Å; H585-R591 VanDerWaalsContact O-CD 3.3Å; H585-R591 WeakPolarHBondContact O-CD 3.38Å; H585-R591 WeakPolarHBondContact O-CG 3.49Å; H585-R591 PolarHBondContact O-NH1 3.48Å; P586-R591 PolarHBondContact O-NH1 3.32Å; S587-R591 WeakPolarHBondContact O-CG 3.38Å; S587-R591 PolarHBondContact O-N 3.41Å; S587-R591 VanDerWaalsContact O-N 3.14Å; R588-R591 CarbonylContact O-C 3.6Å; R588-R591 WeakPolarHBondContact O-CA 3.48Å; R588-R591 WeakPolarHBondContact O-CB 3.25Å; R588-R591 PolarHBondContact O-N 2.92Å
592	Q	93.3	Very high	93.3	Very high	56 Å²	56	34.5 Å²	34.5	26%	0.262	16%	0.162	S	C	.	.	H	α-helix	trans	-78.3	-46.1	172	-74.2	170.2	-49.2	0	0	111.1	D177 I182 R588 G589 V590 Q595	D177-Q592 PolarHBondContact OD1-NE2 2.93Å; I182-Q592 HydrophobicContact CD1-CB 4.39Å; I182-Q592 HydrophobicContact CD1-CG 4.25Å; R588-Q592 PolarHBondContact O-N 2.99Å; G589-Q592 PolarHBondContact O-N 3.22Å; V590-Q592 PolarHBondContact O-N 2.48Å; Q592-Q595 WeakPolarHBondContact O-CB 3.48Å; Q592-Q595 PolarHBondContact O-N 2.79Å
593	F	95.8	Very high	93.2	Very high	6 Å²	6	31.8 Å²	31.8	3%	0.026	15%	0.152	C	C	.	.	H	α-helix	trans	-59.7	-47.9	174.9	176	-91.5	0	0	0	112.3	L415 L416 I508 L509 P510 L558 G589 V590 Q595 L596 F597	L415-F593 HydrophobicContact CB-CZ 4.13Å; L415-F593 HydrophobicContact CD1-CZ 3.96Å; L416-F593 HydrophobicContact CD2-CE2 4.1Å; I508-F593 HydrophobicContact CG2-CD2 4.26Å; I508-F593 HydrophobicContact CG2-CE2 3.93Å; I508-F593 WeakPolarHBondContact O-CD2 3.18Å; L509-F593 HydrophobicContact CD2-CE2 4.49Å; P510-F593 HydrophobicContact CG-CB 3.84Å; P510-F593 HydrophobicContact CG-CG 4.18Å; L558-F593 HydrophobicContact CD1-CD1 3.83Å; L558-F593 HydrophobicContact CD1-CE1 4.12Å; L558-F593 HydrophobicContact CD2-CD1 4.32Å; L558-F593 HydrophobicContact CD2-CE1 3.77Å; L558-F593 HydrophobicContact CG-CD1 4.44Å; L558-F593 HydrophobicContact CG-CE1 4.36Å; G589-F593 PolarHBondContact O-N 2.71Å; V590-F593 PolarHBondContact O-N 2.77Å; F593-Q595 PolarHBondContact O-N 2.87Å; F593-L596 PolarHBondContact O-N 2.89Å; F593-F597 HydrophobicContact CD1-CB 3.88Å; F593-F597 HydrophobicContact CD1-CG 4.42Å; F593-F597 HydrophobicContact CE1-CB 3.31Å; F593-F597 AromaticContact CE1-CD1 3.75Å; F593-F597 HydrophobicContact CE1-CD1 3.75Å; F593-F597 HydrophobicContact CE1-CD2 4.12Å; F593-F597 AromaticContact CE1-CG 3.46Å; F593-F597 HydrophobicContact CE1-CG 3.46Å; F593-F597 VanDerWaalsContact CE1-CG 3.46Å; F593-F597 HydrophobicContact CE2-CB 4.49Å; F593-F597 HydrophobicContact CZ-CB 3.68Å; F593-F597 HydrophobicContact CZ-CD1 4.44Å; F593-F597 AromaticContact CZ-CD2 4Å; F593-F597 HydrophobicContact CZ-CD2 4Å; F593-F597 AromaticContact CZ-CG 3.8Å; F593-F597 HydrophobicContact CZ-CG 3.8Å; F593-F597 PolarHBondContact O-N 2.85Å
594	L	95.9	Very high	92.9	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-60.1	-29.7	178.3	-72.5	177.1	0	0	0	112.6	L558 V559 F581 R582 V590 L596 F597 M598	L558-L594 HydrophobicContact CG-CD2 4.46Å; V559-L594 HydrophobicContact CG1-CD2 3.93Å; F581-L594 HydrophobicContact CE1-CD1 4.34Å; F581-L594 HydrophobicContact CE1-CD2 4.24Å; R582-L594 HydrophobicContact CG-CB 3.99Å; V590-L594 HydrophobicContact CG1-CD1 3.82Å; V590-L594 HydrophobicContact CG1-CG 4.03Å; V590-L594 WeakPolarHBondContact O-CB 3.45Å; V590-L594 VanDerWaalsContact O-CG 3.3Å; V590-L594 WeakPolarHBondContact O-CG 3.29Å; V590-L594 PolarHBondContact O-N 2.95Å; L594-L596 PolarHBondContact O-N 2.93Å; L594-F597 HydrophobicContact CD2-CD1 4.29Å; L594-M598 HydrophobicContact CB-CG 4.36Å; L594-M598 HydrophobicContact CB-SD 4.04Å; L594-M598 HydrophobicContact CD2-CG 4.45Å; L594-M598 VanDerWaalsContact O-CB 3.22Å; L594-M598 WeakPolarHBondContact O-CB 3.43Å; L594-M598 WeakPolarHBondContact O-CG 3.45Å; L594-M598 PolarHBondContact O-N 2.87Å; L594-M598 VanDerWaalsContact O-N 3.07Å
595	Q	93.3	Very high	92.6	Very high	82 Å²	82	25.7 Å²	25.7	38%	0.383	13%	0.128	S	C	.	.	H	α-helix	trans	-62.3	-24.8	175.4	-175.4	57.1	77.7	0	0	112.9	Q592 F593	Q592-Q595 WeakPolarHBondContact O-CB 3.48Å; Q592-Q595 PolarHBondContact O-N 2.79Å; F593-Q595 PolarHBondContact O-N 2.87Å
596	L	92.9	Very high	92.4	Very high	5 Å²	5	25.8 Å²	25.8	3%	0.026	13%	0.128	C	C	.	.	H	α-helix	trans	-96.4	-53	175.9	-59.6	171.8	0	0	0	110.5	R185 I189 L416 F593 L594 M598 E599	R185-L596 HydrophobicContact CB-CD1 3.74Å; R185-L596 HydrophobicContact CB-CD2 3.92Å; R185-L596 HydrophobicContact CB-CG 4.47Å; R185-L596 HydrophobicContact CG-CD1 4.24Å; I189-L596 HydrophobicContact CD1-CB 3.77Å; I189-L596 HydrophobicContact CD1-CD2 4.18Å; L416-L596 HydrophobicContact CD2-CB 3.99Å; F593-L596 PolarHBondContact O-N 2.89Å; L594-L596 PolarHBondContact O-N 2.93Å; L596-M598 VanDerWaalsContact C-N 3.27Å; L596-M598 PolarHBondContact O-N 2.97Å; L596-E599 PolarHBondContact O-N 3.32Å; L596-E599 VanDerWaalsContact O-N 3.09Å
597	F	95.4	Very high	92.4	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-59.2	-34.6	-174.7	-178.7	-123.2	0	0	0	113.7	L415 F444 L558 V559 F593 L594 E599 T600 F603	L415-F597 HydrophobicContact CB-CE2 4.5Å; L415-F597 HydrophobicContact CD2-CE2 3.82Å; L415-F597 HydrophobicContact CD2-CZ 4.22Å; L415-F597 VanDerWaalsContact O-CD2 3.27Å; L415-F597 WeakPolarHBondContact O-CD2 3.11Å; F444-F597 AromaticContact CD1-CZ 3.96Å; F444-F597 HydrophobicContact CD1-CZ 3.96Å; F444-F597 AromaticContact CD2-CZ 3.95Å; F444-F597 HydrophobicContact CD2-CZ 3.95Å; F444-F597 AromaticContact CE1-CE1 3.96Å; F444-F597 HydrophobicContact CE1-CE1 3.96Å; F444-F597 AromaticContact CE1-CZ 3.76Å; F444-F597 HydrophobicContact CE1-CZ 3.76Å; F444-F597 AromaticContact CE2-CE1 3.98Å; F444-F597 HydrophobicContact CE2-CE1 3.98Å; F444-F597 AromaticContact CE2-CZ 3.75Å; F444-F597 HydrophobicContact CE2-CZ 3.75Å; F444-F597 HydrophobicContact CG-CZ 4.06Å; F444-F597 AromaticContact CZ-CE1 3.61Å; F444-F597 HydrophobicContact CZ-CE1 3.61Å; F444-F597 AromaticContact CZ-CZ 3.65Å; F444-F597 HydrophobicContact CZ-CZ 3.65Å; L558-F597 HydrophobicContact CD2-CE1 4.48Å; V559-F597 HydrophobicContact CG1-CE1 4.23Å; F593-F597 HydrophobicContact CD1-CB 3.88Å; F593-F597 HydrophobicContact CD1-CG 4.42Å; F593-F597 HydrophobicContact CE1-CB 3.31Å; F593-F597 AromaticContact CE1-CD1 3.75Å; F593-F597 HydrophobicContact CE1-CD1 3.75Å; F593-F597 HydrophobicContact CE1-CD2 4.12Å; F593-F597 AromaticContact CE1-CG 3.46Å; F593-F597 HydrophobicContact CE1-CG 3.46Å; F593-F597 VanDerWaalsContact CE1-CG 3.46Å; F593-F597 HydrophobicContact CE2-CB 4.49Å; F593-F597 HydrophobicContact CZ-CB 3.68Å; F593-F597 HydrophobicContact CZ-CD1 4.44Å; F593-F597 AromaticContact CZ-CD2 4Å; F593-F597 HydrophobicContact CZ-CD2 4Å; F593-F597 AromaticContact CZ-CG 3.8Å; F593-F597 HydrophobicContact CZ-CG 3.8Å; F593-F597 PolarHBondContact O-N 2.85Å; L594-F597 HydrophobicContact CD2-CD1 4.29Å; F597-E599 PolarHBondContact O-N 2.84Å; F597-E599 VanDerWaalsContact O-N 3.15Å; F597-T600 HydrophobicContact CD2-CG2 4.15Å; F597-T600 WeakPolarHBondContact O-CB 3.41Å; F597-T600 WeakPolarHBondContact O-CG2 3.37Å; F597-T600 PolarHBondContact O-N 3.43Å; F597-T600 VanDerWaalsContact O-N 3.13Å; F597-T600 PolarHBondContact O-OG1 3.3Å; F597-F603 AromaticContact CD1-CD2 3.97Å; F597-F603 HydrophobicContact CD1-CD2 3.97Å; F597-F603 AromaticContact CE1-CD2 3.75Å; F597-F603 HydrophobicContact CE1-CD2 3.75Å; F597-F603 HydrophobicContact CZ-CD2 4.49Å; F597-F603 WeakPolarHBondContact O-CB 3.46Å
598	M	94.1	Very high	91.9	Very high	7 Å²	7	26.4 Å²	26.4	3%	0.034	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-12.7	-179.4	-67.9	172.8	60.5	0	0	114.2	L576 R578 F581 R582 L594 L596 F603	L576-M598 HydrophobicContact CD2-CE 4.38Å; R578-M598 HydrophobicContact CB-CE 3.62Å; R578-M598 HydrophobicContact CG-CE 3.88Å; R578-M598 PolarHBondContact NH1-O 3.38Å; R578-M598 VanDerWaalsContact NH2-C 3.3Å; R578-M598 PolarHBondContact NH2-O 2.88Å; F581-M598 HydrophobicContact CD1-CE 3.74Å; F581-M598 HydrophobicContact CD1-SD 3.71Å; F581-M598 HydrophobicContact CE1-CE 4.28Å; F581-M598 HydrophobicContact CE1-CG 4.32Å; F581-M598 HydrophobicContact CE1-SD 3.86Å; R582-M598 HydrophobicContact CB-SD 4.09Å; R582-M598 HydrophobicContact CG-SD 4.41Å; L594-M598 HydrophobicContact CB-CG 4.36Å; L594-M598 HydrophobicContact CB-SD 4.04Å; L594-M598 HydrophobicContact CD2-CG 4.45Å; L594-M598 VanDerWaalsContact O-CB 3.22Å; L594-M598 WeakPolarHBondContact O-CB 3.43Å; L594-M598 WeakPolarHBondContact O-CG 3.45Å; L594-M598 PolarHBondContact O-N 2.87Å; L594-M598 VanDerWaalsContact O-N 3.07Å; L596-M598 VanDerWaalsContact C-N 3.27Å; L596-M598 PolarHBondContact O-N 2.97Å; M598-F603 HydrophobicContact CB-CD1 3.98Å; M598-F603 HydrophobicContact CB-CE1 3.98Å; M598-F603 HydrophobicContact CB-CG 4.44Å; M598-F603 HydrophobicContact CB-CZ 4.45Å; M598-F603 HydrophobicContact CE-CE1 4.2Å; M598-F603 HydrophobicContact CE-CZ 4.33Å; M598-F603 HydrophobicContact CG-CD1 4.14Å; M598-F603 HydrophobicContact CG-CD2 4.39Å; M598-F603 HydrophobicContact CG-CE1 3.79Å; M598-F603 HydrophobicContact CG-CE2 4.07Å; M598-F603 HydrophobicContact CG-CG 4.42Å; M598-F603 HydrophobicContact CG-CZ 3.76Å; M598-F603 WeakPolarHBondContact O-CD1 3.47Å
599	E	91.3	Very high	91.4	Very high	54 Å²	54	22.3 Å²	22.3	25%	0.252	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-6.6	175.8	-60.2	-55.8	145.3	0	0	113.3	I189 R195 R578 L596 F597	I189-E599 HydrophobicContact CG2-CB 3.57Å; I189-E599 HydrophobicContact CG2-CG 4.36Å; R195-E599 IonicContact CZ-OE2 3.14Å; R195-E599 IonicContact NE-OE2 2.73Å; R195-E599 IonicContact NH2-OE1 2.77Å; R195-E599 IonicContact NH2-OE2 2.7Å; R195-E599 PolarHBondContact NH2-OE2 2.79Å; R578-E599 IonicContact CZ-OE1 2.95Å; R578-E599 IonicContact NH2-OE1 3.22Å; R578-E599 PolarHBondContact NH2-OE1 2.88Å; R578-E599 IonicContact NH2-OE2 3.92Å; R578-E599 PolarHBondContact NH2-OE2 2.71Å; L596-E599 PolarHBondContact O-N 3.32Å; L596-E599 VanDerWaalsContact O-N 3.09Å; F597-E599 PolarHBondContact O-N 2.84Å; F597-E599 VanDerWaalsContact O-N 3.15Å
600	T	92.6	Very high	91.1	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.11	C	C	.	.	S	Bend	trans	-69.1	152.7	178.8	63.2	0	0	0	0	113	L193 L415 E417 F597 M602 F603 A604	L193-T600 HydrophobicContact CD1-CG2 4.42Å; L415-T600 WeakPolarHBondContact O-CG2 3.26Å; E417-T600 HydrophobicContact CG-CG2 3.95Å; F597-T600 HydrophobicContact CD2-CG2 4.15Å; F597-T600 WeakPolarHBondContact O-CB 3.41Å; F597-T600 WeakPolarHBondContact O-CG2 3.37Å; F597-T600 PolarHBondContact O-N 3.43Å; F597-T600 VanDerWaalsContact O-N 3.13Å; F597-T600 PolarHBondContact O-OG1 3.3Å; T600-M602 VanDerWaalsContact C-N 3.28Å; T600-F603 PolarHBondContact O-N 3.3Å; T600-F603 VanDerWaalsContact OG1-CB 3.3Å; T600-F603 WeakPolarHBondContact OG1-CB 3.34Å; T600-F603 PolarHBondContact OG1-N 2.96Å; T600-A604 WeakPolarHBondContact O-CB 3.37Å; T600-A604 PolarHBondContact O-N 2.81Å
601	Q	89.1	Confident	90.4	Very high	24 Å²	24	25.6 Å²	25.6	11%	0.112	12%	0.124	C	C	.	.	H	α-helix	trans	-66.6	-33.6	172.1	-56.7	-51.4	-85.4	0	0	111.3	E417 Q447 A604 G605	E417-Q601 VanDerWaalsContact CD-N 3.3Å; E417-Q601 WeakPolarHBondContact OE1-CA 3.49Å; E417-Q601 PolarHBondContact OE1-N 2.82Å; E417-Q601 PolarHBondContact OE2-N 3.2Å; Q447-Q601 HydrophobicContact CB-CB 3.95Å; Q447-Q601 HydrophobicContact CG-CB 4.09Å; Q601-A604 PolarHBondContact O-N 2.97Å; Q601-G605 PolarHBondContact O-N 3.14Å
602	M	91.7	Very high	89.5	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-54	-53.4	170.3	-77.8	-157.9	-67.8	0	0	112.2	L414 E417 L441 F444 T445 W446 Q447 T600 G605 F606	L414-M602 WeakPolarHBondContact O-CE 3.42Å; E417-M602 HydrophobicContact CG-CE 4.06Å; E417-M602 VanDerWaalsContact OE1-CG 3.29Å; E417-M602 WeakPolarHBondContact OE1-CG 3.5Å; E417-M602 PolarHBondContact OE1-N 2.74Å; L441-M602 HydrophobicContact CB-SD 4.47Å; L441-M602 HydrophobicContact CD1-SD 3.92Å; L441-M602 HydrophobicContact CD2-CE 4.37Å; F444-M602 HydrophobicContact CB-CB 4.19Å; F444-M602 HydrophobicContact CB-SD 4.09Å; F444-M602 HydrophobicContact CD1-CB 4.4Å; T445-M602 WeakPolarHBondContact O-CG 3.32Å; W446-M602 HydrophobicContact CE3-CE 4.18Å; W446-M602 HydrophobicContact CE3-SD 4.03Å; W446-M602 HydrophobicContact CZ3-CE 4.36Å; Q447-M602 HydrophobicContact CG-CG 4.44Å; T600-M602 VanDerWaalsContact C-N 3.28Å; M602-G605 PolarHBondContact O-N 2.88Å; M602-F606 WeakPolarHBondContact O-CB 3.5Å; M602-F606 PolarHBondContact O-N 3.07Å
603	F	93.5	Very high	88.4	Confident	1 Å²	1	28.9 Å²	28.9	0%	0.004	14%	0.14	C	C	.	.	H	α-helix	trans	-66.4	-40.5	179.2	-173.2	-90.5	0	0	0	112.1	F444 V559 L576 F581 F597 M598 T600 F606 I607	F444-F603 HydrophobicContact CE1-CB 4.44Å; F444-F603 AromaticContact CE1-CD2 3.92Å; F444-F603 HydrophobicContact CE1-CD2 3.92Å; F444-F603 HydrophobicContact CZ-CD2 4.29Å; V559-F603 HydrophobicContact CG1-CE2 4.26Å; L576-F603 HydrophobicContact CD2-CE1 3.79Å; L576-F603 HydrophobicContact CD2-CZ 3.68Å; F581-F603 HydrophobicContact CD1-CZ 4.32Å; F581-F603 AromaticContact CE1-CE2 3.98Å; F581-F603 HydrophobicContact CE1-CE2 3.98Å; F581-F603 AromaticContact CE1-CZ 3.71Å; F581-F603 HydrophobicContact CE1-CZ 3.71Å; F581-F603 HydrophobicContact CZ-CE2 4.31Å; F581-F603 HydrophobicContact CZ-CZ 4.32Å; F597-F603 AromaticContact CD1-CD2 3.97Å; F597-F603 HydrophobicContact CD1-CD2 3.97Å; F597-F603 AromaticContact CE1-CD2 3.75Å; F597-F603 HydrophobicContact CE1-CD2 3.75Å; F597-F603 HydrophobicContact CZ-CD2 4.49Å; F597-F603 WeakPolarHBondContact O-CB 3.46Å; M598-F603 HydrophobicContact CB-CD1 3.98Å; M598-F603 HydrophobicContact CB-CE1 3.98Å; M598-F603 HydrophobicContact CB-CG 4.44Å; M598-F603 HydrophobicContact CB-CZ 4.45Å; M598-F603 HydrophobicContact CE-CE1 4.2Å; M598-F603 HydrophobicContact CE-CZ 4.33Å; M598-F603 HydrophobicContact CG-CD1 4.14Å; M598-F603 HydrophobicContact CG-CD2 4.39Å; M598-F603 HydrophobicContact CG-CE1 3.79Å; M598-F603 HydrophobicContact CG-CE2 4.07Å; M598-F603 HydrophobicContact CG-CG 4.42Å; M598-F603 HydrophobicContact CG-CZ 3.76Å; M598-F603 WeakPolarHBondContact O-CD1 3.47Å; T600-F603 PolarHBondContact O-N 3.3Å; T600-F603 VanDerWaalsContact OG1-CB 3.3Å; T600-F603 WeakPolarHBondContact OG1-CB 3.34Å; T600-F603 PolarHBondContact OG1-N 2.96Å; F603-F606 PolarHBondContact O-N 3.33Å; F603-I607 HydrophobicContact CD1-CG1 3.99Å; F603-I607 HydrophobicContact CE1-CD1 4.24Å; F603-I607 HydrophobicContact CE1-CG1 3.52Å; F603-I607 HydrophobicContact CE2-CG1 4.38Å; F603-I607 HydrophobicContact CZ-CD1 3.96Å; F603-I607 HydrophobicContact CZ-CG1 3.74Å; F603-I607 WeakPolarHBondContact O-CG1 3.21Å; F603-I607 PolarHBondContact O-N 3.4Å
604	A	89	Confident	86.6	Confident	33 Å²	33	38.8 Å²	38.8	27%	0.273	18%	0.183	S	C	.	.	H	α-helix	trans	-60.2	-48.2	176	0	0	0	0	0	112.1	T600 Q601 I607 Q608	T600-A604 WeakPolarHBondContact O-CB 3.37Å; T600-A604 PolarHBondContact O-N 2.81Å; Q601-A604 PolarHBondContact O-N 2.97Å; A604-I607 PolarHBondContact O-N 3.32Å; A604-Q608 WeakPolarHBondContact O-CB 3.37Å; A604-Q608 PolarHBondContact O-N 3.02Å
605	G	85.3	Confident	84.7	Confident	3 Å²	3	41.5 Å²	41.5	3%	0.031	21%	0.211	C	C	.	.	H	α-helix	trans	-64.9	-38.3	178.4	0	0	0	0	0	113.2	Q601 M602 D609	Q601-G605 PolarHBondContact O-N 3.14Å; M602-G605 PolarHBondContact O-N 2.88Å; G605-D609 WeakPolarHBondContact O-CB 3.45Å; G605-D609 PolarHBondContact O-N 3.3Å; G605-D609 VanDerWaalsContact O-N 3.08Å
606	F	89.9	Confident	82.6	Confident	11 Å²	11	41.1 Å²	41.1	5%	0.048	23%	0.23	C	C	.	.	H	α-helix	trans	-61.3	-48.4	173.1	167.2	-91.2	0	0	0	111.7	P443 F444 Y562 M602 F603 D609 K610 Y621	P443-F606 HydrophobicContact CB-CD2 4.2Å; P443-F606 HydrophobicContact CB-CE2 3.91Å; P443-F606 HydrophobicContact CG-CD2 4.19Å; P443-F606 HydrophobicContact CG-CE2 3.76Å; F444-F606 HydrophobicContact CD1-CB 3.51Å; F444-F606 HydrophobicContact CD1-CD2 4.23Å; F444-F606 AromaticContact CD1-CG 3.87Å; F444-F606 HydrophobicContact CD1-CG 3.87Å; F444-F606 HydrophobicContact CE1-CB 3.5Å; F444-F606 VanDerWaalsContact CE1-CB 3.5Å; F444-F606 AromaticContact CE1-CD1 3.7Å; F444-F606 HydrophobicContact CE1-CD1 3.7Å; F444-F606 AromaticContact CE1-CD2 3.97Å; F444-F606 HydrophobicContact CE1-CD2 3.97Å; F444-F606 HydrophobicContact CE1-CE1 4.42Å; F444-F606 AromaticContact CE1-CG 3.45Å; F444-F606 HydrophobicContact CE1-CG 3.45Å; F444-F606 VanDerWaalsContact CE1-CG 3.45Å; F444-F606 HydrophobicContact CZ-CD1 4.19Å; F444-F606 HydrophobicContact CZ-CD2 4.35Å; F444-F606 HydrophobicContact CZ-CE1 4.48Å; F444-F606 HydrophobicContact CZ-CG 4.13Å; Y562-F606 HydrophobicContact CD1-CE1 4.28Å; Y562-F606 HydrophobicContact CD1-CZ 4.08Å; Y562-F606 HydrophobicContact CE1-CE1 4.47Å; Y562-F606 AromaticContact CE1-CZ 3.93Å; Y562-F606 HydrophobicContact CE1-CZ 3.93Å; Y562-F606 HydrophobicContact CG-CE1 4.42Å; M602-F606 WeakPolarHBondContact O-CB 3.5Å; M602-F606 PolarHBondContact O-N 3.07Å; F603-F606 PolarHBondContact O-N 3.33Å; F606-D609 WeakPolarHBondContact O-CB 3.49Å; F606-D609 PolarHBondContact O-N 2.97Å; F606-K610 HydrophobicContact CE1-CG 4.33Å; F606-K610 HydrophobicContact CZ-CG 4.37Å; F606-K610 WeakPolarHBondContact O-CG 3.48Å; F606-K610 PolarHBondContact O-N 3.18Å; F606-Y621 HydrophobicContact CE2-CD1 4.3Å; F606-Y621 AromaticContact CE2-CE1 3.76Å; F606-Y621 HydrophobicContact CE2-CE1 3.76Å; F606-Y621 AromaticContact CZ-CE1 3.69Å; F606-Y621 HydrophobicContact CZ-CE1 3.69Å
607	I	89.4	Confident	80.8	Confident	11 Å²	11	43.7 Å²	43.7	6%	0.056	26%	0.258	C	S	.	.	H	α-helix	trans	-65.2	-46.2	179.7	-68.4	-59.8	0	0	0	111	L576 F603 A604 D609 K610 E611	L576-I607 HydrophobicContact CB-CD1 4.4Å; L576-I607 HydrophobicContact CB-CG2 3.88Å; L576-I607 HydrophobicContact CD1-CD1 4.28Å; L576-I607 HydrophobicContact CD2-CD1 3.81Å; L576-I607 HydrophobicContact CD2-CG1 4.05Å; L576-I607 HydrophobicContact CG-CD1 4.38Å; F603-I607 HydrophobicContact CD1-CG1 3.99Å; F603-I607 HydrophobicContact CE1-CD1 4.24Å; F603-I607 HydrophobicContact CE1-CG1 3.52Å; F603-I607 HydrophobicContact CE2-CG1 4.38Å; F603-I607 HydrophobicContact CZ-CD1 3.96Å; F603-I607 HydrophobicContact CZ-CG1 3.74Å; F603-I607 WeakPolarHBondContact O-CG1 3.21Å; F603-I607 PolarHBondContact O-N 3.4Å; A604-I607 PolarHBondContact O-N 3.32Å; I607-D609 PolarHBondContact O-N 2.92Å; I607-K610 CarbonylContact O-C 3.55Å; I607-K610 WeakPolarHBondContact O-CA 3.26Å; I607-K610 WeakPolarHBondContact O-CB 3.36Å; I607-K610 PolarHBondContact O-N 3Å; I607-E611 HydrophobicContact CG2-CG 4.07Å; I607-E611 VanDerWaalsContact CG2-OE1 3.29Å; I607-E611 WeakPolarHBondContact CG2-OE1 3.45Å; I607-E611 WeakPolarHBondContact O-CG 3.48Å; I607-E611 PolarHBondContact O-N 3.02Å
608	Q	83.8	Confident	79.5	Confident	56 Å²	56	51.9 Å²	51.9	26%	0.262	29%	0.288	S	S	.	.	H	α-helix	trans	-58.7	-33.7	177.5	-168.9	-177.9	-17.5	0	0	112.3	Y199 A604 K610 E611 L612	Y199-Q608 PolarHBondContact O-NE2 3.47Å; Y199-Q608 VanDerWaalsContact O-NE2 3.14Å; A604-Q608 WeakPolarHBondContact O-CB 3.37Å; A604-Q608 PolarHBondContact O-N 3.02Å; Q608-K610 VanDerWaalsContact C-N 3.3Å; Q608-K610 PolarHBondContact O-N 3.48Å; Q608-E611 PolarHBondContact O-N 3.26Å; Q608-L612 HydrophobicContact CG-CD1 3.96Å; Q608-L612 HydrophobicContact CG-CG 4.39Å; Q608-L612 WeakPolarHBondContact O-CB 3.43Å; Q608-L612 VanDerWaalsContact O-CG 3.31Å; Q608-L612 WeakPolarHBondContact O-CG 3.15Å; Q608-L612 PolarHBondContact O-N 3.23Å
609	D	81.3	Confident	78.9	Confident	30 Å²	30	53 Å²	53	16%	0.16	30%	0.302	C	S	.	.	H	α-helix	trans	-69.9	-22.8	173.1	-166.1	46.8	0	0	0	113.2	T201 G605 F606 I607 R613	T201-D609 HydrophobicContact CG2-CB 3.78Å; G605-D609 WeakPolarHBondContact O-CB 3.45Å; G605-D609 PolarHBondContact O-N 3.3Å; G605-D609 VanDerWaalsContact O-N 3.08Å; F606-D609 WeakPolarHBondContact O-CB 3.49Å; F606-D609 PolarHBondContact O-N 2.97Å; I607-D609 PolarHBondContact O-N 2.92Å; D609-R613 WeakPolarHBondContact O-CG 3.46Å; D609-R613 PolarHBondContact O-NH1 2.81Å; D609-R613 IonicContact OD1-NH1 3.17Å; D609-R613 IonicContact OD2-CZ 3.51Å; D609-R613 IonicContact OD2-NH1 3.59Å; D609-R613 PolarHBondContact OD2-NH1 3.29Å; D609-R613 IonicContact OD2-NH2 3.64Å; D609-R613 PolarHBondContact OD2-NH2 3.01Å
610	K	84.1	Confident	78.7	Confident	21 Å²	21	52.7 Å²	52.7	9%	0.091	30%	0.302	C	S	.	.	H	α-helix	trans	-83.8	-34.6	170.1	-54.2	-39.9	-174.6	-165.5	0	112.2	Y562 M566 F606 I607 Q608 E622	Y562-K610 HydrophobicContact CD2-CG 4.46Å; Y562-K610 HydrophobicContact CE2-CB 4.07Å; Y562-K610 HydrophobicContact CE2-CD 4.4Å; Y562-K610 HydrophobicContact CE2-CG 3.66Å; M566-K610 HydrophobicContact CE-CB 4.13Å; F606-K610 HydrophobicContact CE1-CG 4.33Å; F606-K610 HydrophobicContact CZ-CG 4.37Å; F606-K610 WeakPolarHBondContact O-CG 3.48Å; F606-K610 PolarHBondContact O-N 3.18Å; I607-K610 CarbonylContact O-C 3.55Å; I607-K610 WeakPolarHBondContact O-CA 3.26Å; I607-K610 WeakPolarHBondContact O-CB 3.36Å; I607-K610 PolarHBondContact O-N 3Å; Q608-K610 VanDerWaalsContact C-N 3.3Å; Q608-K610 PolarHBondContact O-N 3.48Å; K610-E622 IonicContact NZ-OE1 3.75Å; K610-E622 PolarHBondContact NZ-OE1 2.84Å
611	E	82.3	Confident	78.6	Confident	63 Å²	63	52.7 Å²	52.7	29%	0.294	30%	0.302	S	S	.	.	H	α-helix	trans	-68.7	-38.2	177.2	-63.9	174.1	162.3	0	0	111.8	M566 K574 E575 L576 I607 Q608	M566-E611 HydrophobicContact CE-CG 3.59Å; K574-E611 WeakPolarHBondContact O-CB 3.28Å; K574-E611 WeakPolarHBondContact O-CG 3.35Å; E575-E611 WeakPolarHBondContact CA-OE1 3.36Å; L576-E611 PolarHBondContact N-OE1 3.3Å; I607-E611 HydrophobicContact CG2-CG 4.07Å; I607-E611 VanDerWaalsContact CG2-OE1 3.29Å; I607-E611 WeakPolarHBondContact CG2-OE1 3.45Å; I607-E611 WeakPolarHBondContact O-CG 3.48Å; I607-E611 PolarHBondContact O-N 3.02Å; Q608-E611 PolarHBondContact O-N 3.26Å
612	L	74.7	Confident	78.7	Confident	97 Å²	97	52.9 Å²	52.9	51%	0.508	30%	0.303	S	S	.	.	S	Bend	trans	-86.4	-10.9	-179.4	-65.6	175.9	0	0	0	114.7	Q608 K614	Q608-L612 HydrophobicContact CG-CD1 3.96Å; Q608-L612 HydrophobicContact CG-CG 4.39Å; Q608-L612 WeakPolarHBondContact O-CB 3.43Å; Q608-L612 VanDerWaalsContact O-CG 3.31Å; Q608-L612 WeakPolarHBondContact O-CG 3.15Å; Q608-L612 PolarHBondContact O-N 3.23Å; L612-K614 PolarHBondContact O-N 3.31Å
613	R	71.8	Confident	78.6	Confident	102 Å²	102	54.6 Å²	54.6	39%	0.385	32%	0.315	S	S	.	.			trans	-71.4	116	-179.5	-105.4	-168.5	-162.1	76.6	3.8	111.5	D609	D609-R613 WeakPolarHBondContact O-CG 3.46Å; D609-R613 PolarHBondContact O-NH1 2.81Å; D609-R613 IonicContact OD1-NH1 3.17Å; D609-R613 IonicContact OD2-CZ 3.51Å; D609-R613 IonicContact OD2-NH1 3.59Å; D609-R613 PolarHBondContact OD2-NH1 3.29Å; D609-R613 IonicContact OD2-NH2 3.64Å; D609-R613 PolarHBondContact OD2-NH2 3.01Å
614	K	57.8	Low	78.6	Confident	214 Å²	214	55.7 Å²	55.7	93%	0.93	32%	0.319	S	S	*	.			trans	-102.9	18.1	175	-62.7	-170.4	175.8	-171.7	0	114.2	L612	L612-K614 PolarHBondContact O-N 3.31Å
615	G	54.9	Low	78.7	Confident	57 Å²	57	54.4 Å²	54.4	59%	0.588	31%	0.308	S	S	*	.	S	Bend	trans	-149.2	158.1	-175.2	0	0	0	0	0	113.6	G617	G615-G617 PolarHBondContact O-N 2.86Å
616	G	48.9	Very low	79	Confident	75 Å²	75	55.8 Å²	55.8	77%	0.773	32%	0.319	S	S	*	.			trans	-89.9	12.4	-166.2	0	0	0	0	0	117.5	R618	G616-R618 PolarHBondContact O-N 3Å
617	G	56.2	Low	79.1	Confident	59 Å²	59	59.5 Å²	59.5	61%	0.608	34%	0.336	S	S	*	.			trans	-65.1	118.5	179.1	0	0	0	0	0	112.1	G615	G615-G617 PolarHBondContact O-N 2.86Å
618	R	68.1	Low	79.1	Confident	171 Å²	171	59.1 Å²	59.1	65%	0.645	33%	0.334	S	S	*	.			trans	-99	126.5	175.7	-66.2	-168.5	-71	-105.7	0.2	110.2	G616 E622	G616-R618 PolarHBondContact O-N 3Å; R618-E622 HydrophobicContact CB-CB 3.68Å; R618-E622 HydrophobicContact CG-CB 3.81Å
619	G	80.3	Confident	79.4	Confident	31 Å²	31	58 Å²	58	32%	0.32	33%	0.33	S	S	.	.			trans	-82.2	-175.8	161.2	0	0	0	0	0	110.5	Y621 E622 S623	G619-Y621 VanDerWaalsContact C-N 3.33Å; G619-Y621 PolarHBondContact O-N 3.03Å; G619-E622 WeakPolarHBondContact CA-OE2 3.21Å; G619-E622 PolarHBondContact N-OE2 2.92Å; G619-E622 PolarHBondContact O-N 3.45Å; G619-S623 PolarHBondContact O-N 3.01Å; G619-S623 PolarHBondContact O-OG 3.2Å
620	L	87.2	Confident	79.7	Confident	48 Å²	48	61.5 Å²	61.5	25%	0.251	35%	0.348	S	S	.	.	H	α-helix	trans	-56.7	-47.2	-178.4	-177.7	63.4	0	0	0	111.6	Y442 E549 V552 E622 S623 R624	Y442-L620 PolarHBondContact OH-N 3.3Å; E549-L620 HydrophobicContact CG-CD2 4.41Å; V552-L620 HydrophobicContact CG1-CG 4.49Å; V552-L620 HydrophobicContact CG2-CD2 4.27Å; L620-E622 PolarHBondContact O-N 3.28Å; L620-S623 PolarHBondContact O-N 2.9Å; L620-R624 HydrophobicContact CD1-CG 4.2Å; L620-R624 HydrophobicContact CG-CG 4.29Å; L620-R624 WeakPolarHBondContact O-CG 3.45Å; L620-R624 PolarHBondContact O-N 3.41Å
621	Y	91.5	Very high	79.5	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-60.6	-42.5	178.8	169.7	-96.8	0	0	0	112.1	Y442 P443 V552 F555 V556 V559 Y562 F606 G619 S623 R624 V625	Y442-Y621 PolarHBondContact OH-N 2.94Å; P443-Y621 HydrophobicContact CB-CD1 3.72Å; P443-Y621 HydrophobicContact CB-CD2 4.23Å; P443-Y621 HydrophobicContact CB-CE1 4.31Å; P443-Y621 HydrophobicContact CB-CG 3.68Å; P443-Y621 HydrophobicContact CG-CD1 3.77Å; P443-Y621 HydrophobicContact CG-CD2 3.67Å; P443-Y621 HydrophobicContact CG-CE1 3.96Å; P443-Y621 HydrophobicContact CG-CE2 3.86Å; P443-Y621 HydrophobicContact CG-CG 3.63Å; V552-Y621 HydrophobicContact CG1-CD2 4.46Å; F555-Y621 HydrophobicContact CB-CD2 4.35Å; F555-Y621 HydrophobicContact CB-CE2 4.06Å; V556-Y621 HydrophobicContact CG2-CD2 3.83Å; V556-Y621 HydrophobicContact CG2-CE2 3.85Å; V559-Y621 HydrophobicContact CG2-CE2 4.39Å; V559-Y621 WeakPolarHBondContact CG2-OH 3.4Å; Y562-Y621 AromaticContact CE1-CE1 3.91Å; Y562-Y621 HydrophobicContact CE1-CE1 3.91Å; F606-Y621 HydrophobicContact CE2-CD1 4.3Å; F606-Y621 AromaticContact CE2-CE1 3.76Å; F606-Y621 HydrophobicContact CE2-CE1 3.76Å; F606-Y621 AromaticContact CZ-CE1 3.69Å; F606-Y621 HydrophobicContact CZ-CE1 3.69Å; G619-Y621 VanDerWaalsContact C-N 3.33Å; G619-Y621 PolarHBondContact O-N 3.03Å; Y621-S623 VanDerWaalsContact C-N 3.33Å; Y621-S623 PolarHBondContact O-N 2.82Å; Y621-R624 PolarHBondContact O-N 3.46Å; Y621-V625 HydrophobicContact CD1-CG2 4.21Å; Y621-V625 HydrophobicContact CD2-CG2 4.2Å; Y621-V625 HydrophobicContact CE1-CG2 3.71Å; Y621-V625 HydrophobicContact CE2-CG2 3.7Å; Y621-V625 HydrophobicContact CG-CG2 4.43Å; Y621-V625 VanDerWaalsContact CZ-CG2 3.41Å; Y621-V625 WeakPolarHBondContact O-CB 3.46Å; Y621-V625 VanDerWaalsContact O-CG2 3.31Å; Y621-V625 WeakPolarHBondContact O-CG2 3.31Å; Y621-V625 PolarHBondContact O-N 2.58Å
622	E	90.1	Very high	78.9	Confident	27 Å²	27	60.9 Å²	60.9	13%	0.126	35%	0.353	C	S	.	.	H	α-helix	trans	-65.8	-34.1	177.8	-68.1	71	-150.6	0	0	113	K610 R618 G619 L620 A626	K610-E622 IonicContact NZ-OE1 3.75Å; K610-E622 PolarHBondContact NZ-OE1 2.84Å; R618-E622 HydrophobicContact CB-CB 3.68Å; R618-E622 HydrophobicContact CG-CB 3.81Å; G619-E622 WeakPolarHBondContact CA-OE2 3.21Å; G619-E622 PolarHBondContact N-OE2 2.92Å; G619-E622 PolarHBondContact O-N 3.45Å; L620-E622 PolarHBondContact O-N 3.28Å; E622-A626 PolarHBondContact O-N 3.42Å; E622-A626 VanDerWaalsContact O-N 3.11Å
623	S	90.4	Very high	78.2	Confident	37 Å²	37	61.2 Å²	61.2	26%	0.259	36%	0.355	S	S	.	.	H	α-helix	trans	-68.2	-45.6	172.7	-65.4	0	0	0	0	111.5	G619 L620 Y621 V625 A626 E627	G619-S623 PolarHBondContact O-N 3.01Å; G619-S623 PolarHBondContact O-OG 3.2Å; L620-S623 PolarHBondContact O-N 2.9Å; Y621-S623 VanDerWaalsContact C-N 3.33Å; Y621-S623 PolarHBondContact O-N 2.82Å; S623-V625 VanDerWaalsContact C-N 3.28Å; S623-V625 PolarHBondContact O-N 3.28Å; S623-A626 WeakPolarHBondContact O-CB 3.31Å; S623-A626 PolarHBondContact O-N 2.91Å; S623-A626 VanDerWaalsContact O-N 3.09Å; S623-E627 WeakPolarHBondContact O-CG 3.28Å; S623-E627 PolarHBondContact O-N 2.81Å
624	R	92.9	Very high	76.9	Confident	23 Å²	23	63.5 Å²	63.5	9%	0.087	37%	0.37	C	S	.	.	H	α-helix	trans	-63.9	-31.1	175.3	-62	-44.7	-165.2	157.3	1.4	113.2	I140 E144 E549 V552 V556 L620 Y621 E627 Y628	I140-R624 VanDerWaalsContact CD1-NH2 3.33Å; E144-R624 IonicContact OE1-NH1 3.78Å; E144-R624 PolarHBondContact OE1-NH1 2.77Å; E549-R624 IonicContact OE1-CZ 3.54Å; E549-R624 IonicContact OE1-NE 2.67Å; E549-R624 IonicContact OE1-NH2 3.49Å; E549-R624 PolarHBondContact OE1-NH2 2.72Å; E549-R624 IonicContact OE2-CZ 2.72Å; E549-R624 IonicContact OE2-NE 3.14Å; E549-R624 PolarHBondContact OE2-NE 3.15Å; E549-R624 IonicContact OE2-NH2 3.51Å; E549-R624 PolarHBondContact OE2-NH2 3.34Å; V552-R624 HydrophobicContact CG1-CB 4Å; V552-R624 HydrophobicContact CG1-CG 3.68Å; V556-R624 HydrophobicContact CG2-CB 3.71Å; L620-R624 HydrophobicContact CD1-CG 4.2Å; L620-R624 HydrophobicContact CG-CG 4.29Å; L620-R624 WeakPolarHBondContact O-CG 3.45Å; L620-R624 PolarHBondContact O-N 3.41Å; Y621-R624 PolarHBondContact O-N 3.46Å; R624-E627 WeakPolarHBondContact CD-OE2 3.43Å; R624-E627 IonicContact CZ-OE2 2.68Å; R624-E627 IonicContact NE-OE2 2.92Å; R624-E627 IonicContact NH1-OE1 2.69Å; R624-E627 IonicContact NH1-OE2 3.66Å; R624-E627 PolarHBondContact NH1-OE2 3.35Å; R624-Y628 VanDerWaalsContact O-CB 3.25Å; R624-Y628 WeakPolarHBondContact O-CB 3.37Å; R624-Y628 PolarHBondContact O-N 3.31Å
625	V	92.8	Very high	76.2	Confident	7 Å²	7	58.2 Å²	58.2	4%	0.042	36%	0.358	C	S	.	.	H	α-helix	trans	-67.1	-40.7	171.2	163.4	0	0	0	0	111.7	V556 G560 P563 Y621 S623 Y628 L629	V556-V625 HydrophobicContact CG2-CG2 4.09Å; G560-V625 WeakPolarHBondContact O-CG1 3.02Å; P563-V625 HydrophobicContact CG-CG1 4.01Å; Y621-V625 HydrophobicContact CD1-CG2 4.21Å; Y621-V625 HydrophobicContact CD2-CG2 4.2Å; Y621-V625 HydrophobicContact CE1-CG2 3.71Å; Y621-V625 HydrophobicContact CE2-CG2 3.7Å; Y621-V625 HydrophobicContact CG-CG2 4.43Å; Y621-V625 VanDerWaalsContact CZ-CG2 3.41Å; Y621-V625 WeakPolarHBondContact O-CB 3.46Å; Y621-V625 VanDerWaalsContact O-CG2 3.31Å; Y621-V625 WeakPolarHBondContact O-CG2 3.31Å; Y621-V625 PolarHBondContact O-N 2.58Å; S623-V625 VanDerWaalsContact C-N 3.28Å; S623-V625 PolarHBondContact O-N 3.28Å; V625-Y628 PolarHBondContact O-N 3.37Å; V625-L629 HydrophobicContact CG1-CD1 3.77Å; V625-L629 HydrophobicContact CG1-CG 4.35Å; V625-L629 WeakPolarHBondContact O-CB 3.38Å; V625-L629 VanDerWaalsContact O-CG 3.26Å; V625-L629 WeakPolarHBondContact O-CG 3.41Å; V625-L629 PolarHBondContact O-N 2.84Å
626	A	91.3	Very high	75.4	Confident	31 Å²	31	63 Å²	63	26%	0.256	37%	0.365	S	S	.	.	H	α-helix	trans	-62.5	-51.8	175	0	0	0	0	0	111.1	E622 S623 Y628 L629 D630	E622-A626 PolarHBondContact O-N 3.42Å; E622-A626 VanDerWaalsContact O-N 3.11Å; S623-A626 WeakPolarHBondContact O-CB 3.31Å; S623-A626 PolarHBondContact O-N 2.91Å; S623-A626 VanDerWaalsContact O-N 3.09Å; A626-Y628 VanDerWaalsContact C-N 3.29Å; A626-Y628 PolarHBondContact O-N 2.87Å; A626-L629 PolarHBondContact O-N 3.49Å; A626-L629 VanDerWaalsContact O-N 3.14Å; A626-D630 PolarHBondContact O-N 2.81Å
627	E	91.2	Very high	74.9	Confident	90 Å²	90	63.1 Å²	63.1	42%	0.421	35%	0.352	S	S	.	.	H	α-helix	trans	-53.6	-44.5	175.4	-67.5	163.5	-165.6	0	0	112.3	S623 R624 S631	S623-E627 WeakPolarHBondContact O-CG 3.28Å; S623-E627 PolarHBondContact O-N 2.81Å; R624-E627 WeakPolarHBondContact CD-OE2 3.43Å; R624-E627 IonicContact CZ-OE2 2.68Å; R624-E627 IonicContact NE-OE2 2.92Å; R624-E627 IonicContact NH1-OE1 2.69Å; R624-E627 IonicContact NH1-OE2 3.66Å; R624-E627 PolarHBondContact NH1-OE2 3.35Å; E627-S631 WeakPolarHBondContact O-CB 3.28Å; E627-S631 PolarHBondContact O-N 2.8Å; E627-S631 PolarHBondContact O-OG 3.21Å
628	Y	89.9	Confident	74.3	Confident	3 Å²	3	63.2 Å²	63.2	1%	0.012	34%	0.343	C	S	.	.	H	α-helix	trans	-63.3	-47.2	177.1	177.2	-94	0	0	0	112.4	V556 R624 V625 A626 S631 C632	V556-Y628 VanDerWaalsContact CG1-CB 3.46Å; V556-Y628 HydrophobicContact CG1-CD1 4.29Å; V556-Y628 HydrophobicContact CG1-CD2 3.7Å; V556-Y628 HydrophobicContact CG1-CE2 4.49Å; V556-Y628 HydrophobicContact CG1-CG 3.57Å; R624-Y628 VanDerWaalsContact O-CB 3.25Å; R624-Y628 WeakPolarHBondContact O-CB 3.37Å; R624-Y628 PolarHBondContact O-N 3.31Å; V625-Y628 PolarHBondContact O-N 3.37Å; A626-Y628 VanDerWaalsContact C-N 3.29Å; A626-Y628 PolarHBondContact O-N 2.87Å; Y628-S631 CarbonylContact O-C 3.57Å; Y628-S631 PolarHBondContact O-N 3.27Å; Y628-S631 PolarHBondContact O-OG 3.23Å; Y628-C632 PolarHBondContact O-N 3.18Å; Y628-C632 VanDerWaalsContact O-N 3.15Å; Y628-C632 PolarHBondContact O-SG 3.32Å
629	L	89.2	Confident	73.1	Confident	31 Å²	31	57.6 Å²	57.6	16%	0.162	34%	0.338	C	S	.	.	H	α-helix	trans	-66.7	-43.1	-178.6	-73.8	172.6	0	0	0	112	P563 L564 V625 A626 S631 C632 L633	P563-L629 HydrophobicContact CB-CD1 4.29Å; P563-L629 HydrophobicContact CG-CD1 3.95Å; L564-L629 HydrophobicContact CD1-CD2 3.96Å; L564-L629 HydrophobicContact CD2-CD2 4.32Å; L564-L629 HydrophobicContact CG-CD2 4.03Å; V625-L629 HydrophobicContact CG1-CD1 3.77Å; V625-L629 HydrophobicContact CG1-CG 4.35Å; V625-L629 WeakPolarHBondContact O-CB 3.38Å; V625-L629 VanDerWaalsContact O-CG 3.26Å; V625-L629 WeakPolarHBondContact O-CG 3.41Å; V625-L629 PolarHBondContact O-N 2.84Å; A626-L629 PolarHBondContact O-N 3.49Å; A626-L629 VanDerWaalsContact O-N 3.14Å; L629-S631 VanDerWaalsContact C-N 3.29Å; L629-S631 PolarHBondContact O-N 3.01Å; L629-C632 CarbonylContact O-C 3.56Å; L629-C632 WeakPolarHBondContact O-CA 3.23Å; L629-C632 WeakPolarHBondContact O-CB 3.16Å; L629-C632 PolarHBondContact O-N 3.23Å; L629-L633 PolarHBondContact O-N 3.5Å
630	D	87.3	Confident	71.5	Confident	104 Å²	104	60.8 Å²	60.8	56%	0.556	35%	0.352	S	S	*	.	H	α-helix	trans	-59.7	-43	174.4	-69.7	-22.8	0	0	0	110.4	A626 C632 L633	A626-D630 PolarHBondContact O-N 2.81Å; D630-C632 PolarHBondContact O-N 3.18Å; D630-C632 VanDerWaalsContact O-N 3.12Å; D630-L633 PolarHBondContact O-N 2.86Å
631	S	80.4	Confident	69.4	Low	42 Å²	42	62.9 Å²	62.9	29%	0.294	36%	0.363	S	S	.	.	H	α-helix	trans	-67.4	-8.6	174.2	88.5	0	0	0	0	114.7	R155 E627 Y628 L629	R155-S631 PolarHBondContact NH1-O 3.43Å; R155-S631 PolarHBondContact NH1-OG 3.41Å; E627-S631 WeakPolarHBondContact O-CB 3.28Å; E627-S631 PolarHBondContact O-N 2.8Å; E627-S631 PolarHBondContact O-OG 3.21Å; Y628-S631 CarbonylContact O-C 3.57Å; Y628-S631 PolarHBondContact O-N 3.27Å; Y628-S631 PolarHBondContact O-OG 3.23Å; L629-S631 VanDerWaalsContact C-N 3.29Å; L629-S631 PolarHBondContact O-N 3.01Å
632	C	69.9	Low	67.4	Low	29 Å²	29	69.6 Å²	69.6	20%	0.196	39%	0.392	C	S	.	.	H	α-helix	trans	-99.6	-9.2	172.4	-65.8	0	0	0	0	113.3	Y628 L629 D630	Y628-C632 PolarHBondContact O-N 3.18Å; Y628-C632 VanDerWaalsContact O-N 3.15Å; Y628-C632 PolarHBondContact O-SG 3.32Å; L629-C632 CarbonylContact O-C 3.56Å; L629-C632 WeakPolarHBondContact O-CA 3.23Å; L629-C632 WeakPolarHBondContact O-CB 3.16Å; L629-C632 PolarHBondContact O-N 3.23Å; D630-C632 PolarHBondContact O-N 3.18Å; D630-C632 VanDerWaalsContact O-N 3.12Å
633	L	59.5	Low	65.3	Low	104 Å²	104	75.4 Å²	75.4	55%	0.545	42%	0.417	S	S	.	.	H	α-helix	trans	-87.9	-25.9	174.4	-66.8	175	0	0	0	112.5	N158 L629 D630 P635	N158-L633 HydrophobicContact CB-CD2 4.38Å; L629-L633 PolarHBondContact O-N 3.5Å; D630-L633 PolarHBondContact O-N 2.86Å; L633-P635 VanDerWaalsContact O-CD 3.31Å; L633-P635 WeakPolarHBondContact O-CD 3.04Å
634	E	45.1	Very low	63.5	Low	151 Å²	151	78.5 Å²	78.5	71%	0.706	43%	0.43	S	S	*	.	S	Bend	trans	-60.9	115.8	174.1	-85.4	-61	139.5	0	0	111.9	E636	E634-E636 PolarHBondContact O-N 3.31Å
635	P	42.8	Very low	61.5	Low	103 Å²	103	84.6 Å²	84.6	67%	0.669	46%	0.457	S	S	*	.			trans	-80.9	91.9	-175.9	32.3	-33.3	0	0	0	110.6	L633 P637	L633-P635 VanDerWaalsContact O-CD 3.31Å; L633-P635 WeakPolarHBondContact O-CD 3.04Å; P635-P637 VanDerWaalsContact O-CD 3.32Å; P635-P637 WeakPolarHBondContact O-CD 3.37Å
636	E	38.3	Very low	59.4	Low	157 Å²	157	85.9 Å²	85.9	73%	0.734	47%	0.473	S	S	*	.			trans	-38.2	107.6	169.6	-124.4	-70.2	117.8	0	0	109.9	E634 S638	E634-E636 PolarHBondContact O-N 3.31Å; E636-S638 PolarHBondContact O-N 3.32Å
637	P	39.1	Very low	57.6	Low	77 Å²	77	88.4 Å²	88.4	50%	0.5	48%	0.481	S	S	.	.			trans	-75.7	94	-162.4	26.7	-34.2	0	0	0	109.4	P635 G639	P635-P637 VanDerWaalsContact O-CD 3.32Å; P635-P637 WeakPolarHBondContact O-CD 3.37Å; P637-G639 PolarHBondContact O-N 3.3Å
638	S	43.1	Very low	55.7	Low	62 Å²	62	85.7 Å²	85.7	43%	0.434	48%	0.478	S	S	.	.			trans	-42.2	129.1	-162.9	67.8	0	0	0	0	112.7	E636 V640 N641	E636-S638 PolarHBondContact O-N 3.32Å; S638-V640 PolarHBondContact O-N 3.08Å; S638-N641 WeakPolarHBondContact O-CB 3.44Å; S638-N641 PolarHBondContact O-N 2.79Å
639	G	43.2	Very low	53.9	Low	52 Å²	52	91.2 Å²	91.2	54%	0.536	51%	0.507	S	S	.	.	H	α-helix	trans	-54.6	-26.9	-171.2	0	0	0	0	0	114.3	P637 N641 K642 F643	P637-G639 PolarHBondContact O-N 3.3Å; G639-N641 VanDerWaalsContact C-N 3.3Å; G639-N641 PolarHBondContact O-N 2.93Å; G639-K642 PolarHBondContact O-N 2.75Å; G639-K642 VanDerWaalsContact O-N 3.11Å; G639-F643 PolarHBondContact O-N 3.27Å
640	V	46.4	Very low	52.1	Low	99 Å²	99	97.4 Å²	97.4	60%	0.6	53%	0.533	S	S	*	.	H	α-helix	trans	-53.9	-43.1	171.4	-165.5	0	0	0	0	111.9	S638 K642 F643 L644	S638-V640 PolarHBondContact O-N 3.08Å; V640-K642 PolarHBondContact O-N 2.97Å; V640-F643 PolarHBondContact O-N 2.84Å; V640-L644 HydrophobicContact CG1-CD1 3.87Å; V640-L644 HydrophobicContact CG1-CG 4.27Å; V640-L644 WeakPolarHBondContact O-CB 3.43Å; V640-L644 WeakPolarHBondContact O-CG 3.36Å; V640-L644 PolarHBondContact O-N 2.91Å
641	N	42.9	Very low	50.4	Low	91 Å²	91	98.5 Å²	98.5	49%	0.487	54%	0.536	S	S	.	.	H	α-helix	trans	-68.4	-30.1	178	-101.5	-38.5	0	0	0	113.1	S638 G639 K645	S638-N641 WeakPolarHBondContact O-CB 3.44Å; S638-N641 PolarHBondContact O-N 2.79Å; G639-N641 VanDerWaalsContact C-N 3.3Å; G639-N641 PolarHBondContact O-N 2.93Å; N641-K645 WeakPolarHBondContact O-CB 3.42Å; N641-K645 VanDerWaalsContact O-CG 3.29Å; N641-K645 WeakPolarHBondContact O-CG 3.49Å; N641-K645 PolarHBondContact O-N 3.02Å
642	K	48.9	Very low	49	Very low	142 Å²	142	103.9 Å²	103.9	62%	0.617	55%	0.554	S	S	*	*	H	α-helix	trans	-70.7	-41.7	171.7	-69.2	178.5	-179.2	170.2	0	110.6	G639 V640 G646	G639-K642 PolarHBondContact O-N 2.75Å; G639-K642 VanDerWaalsContact O-N 3.11Å; V640-K642 PolarHBondContact O-N 2.97Å; K642-G646 PolarHBondContact O-N 3.41Å; K642-G646 VanDerWaalsContact O-N 3.07Å
643	F	47	Very low	47.9	Very low	149 Å²	149	109.3 Å²	109.3	65%	0.654	58%	0.581	S	S	*	*	H	α-helix	trans	-68.3	-44.6	178.9	-154.8	-92.4	0	0	0	112.7	G639 V640 G646 L647	G639-F643 PolarHBondContact O-N 3.27Å; V640-F643 PolarHBondContact O-N 2.84Å; F643-G646 WeakPolarHBondContact O-CA 3.49Å; F643-G646 PolarHBondContact O-N 2.98Å; F643-G646 VanDerWaalsContact O-N 3.17Å; F643-L647 HydrophobicContact CD1-CD1 4.19Å; F643-L647 HydrophobicContact CE1-CD1 3.83Å; F643-L647 PolarHBondContact O-N 3.19Å
644	L	51.4	Low	47.4	Very low	102 Å²	102	111.4 Å²	111.4	53%	0.534	59%	0.592	S	S	.	*	H	α-helix	trans	-66.8	-39.4	178.3	-70.8	174.8	0	0	0	112.8	V640 G646 L647 G648	V640-L644 HydrophobicContact CG1-CD1 3.87Å; V640-L644 HydrophobicContact CG1-CG 4.27Å; V640-L644 WeakPolarHBondContact O-CB 3.43Å; V640-L644 WeakPolarHBondContact O-CG 3.36Å; V640-L644 PolarHBondContact O-N 2.91Å; L644-G646 VanDerWaalsContact C-N 3.29Å; L644-G646 PolarHBondContact O-N 3.5Å; L644-L647 PolarHBondContact O-N 2.88Å; L644-G648 PolarHBondContact O-N 3.34Å
645	K	51.5	Low	47.6	Very low	150 Å²	150	112.5 Å²	112.5	65%	0.652	60%	0.597	S	S	*	*	H	α-helix	trans	-63.1	-36.4	170.7	-75.4	-179.8	177.8	-177.7	0	111.8	N641 N649	N641-K645 WeakPolarHBondContact O-CB 3.42Å; N641-K645 VanDerWaalsContact O-CG 3.29Å; N641-K645 WeakPolarHBondContact O-CG 3.49Å; N641-K645 PolarHBondContact O-N 3.02Å; K645-N649 PolarHBondContact O-N 3.21Å
646	G	49.8	Very low	48	Very low	35 Å²	35	115.7 Å²	115.7	36%	0.361	61%	0.605	S	S	.	*	H	α-helix	trans	-62.2	-42.7	172	0	0	0	0	0	113.4	K642 F643 L644 K650	K642-G646 PolarHBondContact O-N 3.41Å; K642-G646 VanDerWaalsContact O-N 3.07Å; F643-G646 WeakPolarHBondContact O-CA 3.49Å; F643-G646 PolarHBondContact O-N 2.98Å; F643-G646 VanDerWaalsContact O-N 3.17Å; L644-G646 VanDerWaalsContact C-N 3.29Å; L644-G646 PolarHBondContact O-N 3.5Å; G646-K650 PolarHBondContact O-N 3.49Å
647	L	53.3	Low	48.1	Very low	83 Å²	83	121.1 Å²	121.1	44%	0.435	63%	0.626	S	S	.	*	H	α-helix	trans	-65.8	-47.8	176.5	-119.6	73.3	0	0	0	112.1	F643 L644 N649 K650 M651	F643-L647 HydrophobicContact CD1-CD1 4.19Å; F643-L647 HydrophobicContact CE1-CD1 3.83Å; F643-L647 PolarHBondContact O-N 3.19Å; L644-L647 PolarHBondContact O-N 2.88Å; L647-N649 VanDerWaalsContact C-N 3.28Å; L647-N649 PolarHBondContact O-N 3.34Å; L647-K650 PolarHBondContact O-N 3.24Å; L647-K650 VanDerWaalsContact O-N 3.07Å; L647-M651 PolarHBondContact O-N 3.31Å
648	G	50.8	Low	48.6	Very low	34 Å²	34	123.4 Å²	123.4	35%	0.351	63%	0.632	S	S	.	*	H	α-helix	trans	-59	-37.5	179.9	0	0	0	0	0	113.2	L644 K652	L644-G648 PolarHBondContact O-N 3.34Å; G648-K652 PolarHBondContact O-N 2.83Å
649	N	52.2	Low	48.8	Very low	118 Å²	118	126.6 Å²	126.6	63%	0.631	64%	0.643	S	S	*	*	H	α-helix	trans	-72.3	-33.5	175.4	-73.2	-6.5	0	0	0	112.9	K645 L647	K645-N649 PolarHBondContact O-N 3.21Å; L647-N649 VanDerWaalsContact C-N 3.28Å; L647-N649 PolarHBondContact O-N 3.34Å
650	K	52	Low	49.2	Very low	162 Å²	162	130.7 Å²	130.7	70%	0.704	65%	0.649	S	S	*	*	H	α-helix	trans	-71.9	-38	173.9	-77.6	-172.8	174.3	-175.6	0	112.9	G646 L647 L653	G646-K650 PolarHBondContact O-N 3.49Å; L647-K650 PolarHBondContact O-N 3.24Å; L647-K650 VanDerWaalsContact O-N 3.07Å; K650-L653 WeakPolarHBondContact O-CB 3.39Å; K650-L653 PolarHBondContact O-N 2.8Å
651	M	50.7	Low	49.3	Very low	127 Å²	127	132.6 Å²	132.6	63%	0.626	65%	0.652	S	S	*	*	H	α-helix	trans	-67.1	-36.7	177.4	-72.9	177.9	66.4	0	0	112.5	L647 L653 L654	L647-M651 PolarHBondContact O-N 3.31Å; M651-L653 PolarHBondContact O-N 3.26Å; M651-L654 PolarHBondContact O-N 2.75Å
652	K	50.5	Low	49.7	Very low	155 Å²	155	135.2 Å²	135.2	67%	0.674	66%	0.662	S	S	*	*	H	α-helix	trans	-61.1	-27.7	173.4	-78.7	-176	173	-174.5	0	113.5	G648 L654	G648-K652 PolarHBondContact O-N 2.83Å; K652-L654 PolarHBondContact O-N 3.36Å
653	L	47.8	Very low	49.8	Very low	143 Å²	143	134.7 Å²	134.7	75%	0.749	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.2	-5.7	176.6	-145	78.3	0	0	0	113.7	K650 M651	K650-L653 WeakPolarHBondContact O-CB 3.39Å; K650-L653 PolarHBondContact O-N 2.8Å; M651-L653 PolarHBondContact O-N 3.26Å
654	L	48.3	Very low	50	Low	148 Å²	148	133.7 Å²	133.7	78%	0.775	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.3	4.3	178.1	-66.9	171.3	0	0	0	113.3	M651 K652	M651-L654 PolarHBondContact O-N 2.75Å; K652-L654 PolarHBondContact O-N 3.36Å
655	Q	50.1	Low	49.9	Very low	173 Å²	173	136.2 Å²	136.2	81%	0.808	68%	0.676	S	S	*	*	S	Bend	trans	-108.6	8.9	171.1	-71	-171.1	-49.5	0	0	113.3
656	M	50.9	Low	49.7	Very low	171 Å²	171	135 Å²	135	84%	0.842	68%	0.678	S	S	*	*			trans	-133.4	67.6	169.6	-65.6	-162.6	83.5	0	0	110.9
657	K	40.2	Very low	49.7	Very low	271 Å²	271	144.1 Å²	144.1	100%	1.178	71%	0.707	S	S	*	*			trans	-156.5	0	160.6	-124.2	-177.8	-177.7	-174.7	0	111.3

Retrieved 657 of 657 residues in 364.8 ms (Link to these results)

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