A0A3Q0KJ03_SCHMA Loading...

Family C2 unassigned peptidase (C02 family) AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KJ03, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 779 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29	Very low	29.2	Very low	237 Å²	237	138 Å²	138	100%	1.167	78%	0.784	S	S	*	*				0	79.8	0	-64.7	179.9	-166.2	0	0	106.7
2	S	29.8	Very low	28.9	Very low	101 Å²	101	143.1 Å²	143.1	71%	0.706	78%	0.784	S	S	*	*				73.4	95	108.3	65.3	0	0	0	0	113.2
3	L	29.2	Very low	28.7	Very low	153 Å²	153	140.7 Å²	140.7	80%	0.801	78%	0.776	S	S	*	*				82.2	118.8	96.9	-72.6	158.1	0	0	0	110.7
4	F	31.1	Very low	28.2	Very low	196 Å²	196	137.8 Å²	137.8	86%	0.86	77%	0.77	S	S	*	*				-163	165.2	68.3	-75.2	-91.3	0	0	0	108.4
5	S	29.5	Very low	27.8	Very low	106 Å²	106	135.7 Å²	135.7	74%	0.741	77%	0.769	S	S	*	*			cis	-169.4	138.9	-18.6	54.7	0	0	0	0	106.8
6	T	24.4	Very low	27.5	Very low	131 Å²	131	133.2 Å²	133.2	80%	0.804	77%	0.77	S	S	*	*			trans	-66.4	-170.5	179.5	44.1	0	0	0	0	116.5
7	P	39.4	Very low	27.1	Very low	117 Å²	117	131.8 Å²	131.8	76%	0.76	76%	0.764	S	S	*	*				-147.9	-161.9	-58.8	46.4	-27.9	0	0	0	113.9
8	A	27.4	Very low	26.8	Very low	86 Å²	86	132.3 Å²	132.3	71%	0.711	77%	0.77	S	S	*	*			trans	114.1	132.6	156.3	0	0	0	0	0	113.7
9	L	27	Very low	26.6	Very low	146 Å²	146	133.6 Å²	133.6	76%	0.764	77%	0.765	S	S	*	*			cis	-151.2	142.4	32.9	-115.6	103.1	0	0	0	110.9
10	N	27.2	Very low	26.4	Very low	125 Å²	125	135 Å²	135	67%	0.668	77%	0.768	S	S	*	*			trans	41.8	140.4	138.8	-64.1	-3.7	0	0	0	120.7
11	N	27.3	Very low	26.4	Very low	120 Å²	120	137.5 Å²	137.5	64%	0.642	77%	0.771	S	S	*	*			cis	-174.7	145.8	-4	-110.8	-16.8	0	0	0	106.7
12	Y	25.6	Very low	26.2	Very low	199 Å²	199	135.3 Å²	135.3	78%	0.78	76%	0.755	S	S	*	*			trans	69.1	109.4	145.7	-78.6	-106.9	0	0	0	124.6
13	V	26.2	Very low	26.1	Very low	112 Å²	112	135.6 Å²	135.6	68%	0.679	76%	0.757	S	S	*	*				61.4	104.8	117.9	-175.8	0	0	0	0	117.4
14	S	22.4	Very low	26	Very low	100 Å²	100	134.8 Å²	134.8	70%	0.699	75%	0.752	S	S	*	*				74.1	127.1	85	144.7	0	0	0	0	116.6
15	S	22.3	Very low	25.7	Very low	107 Å²	107	133.2 Å²	133.2	75%	0.748	75%	0.747	S	S	*	*			trans	87.8	117	155.6	74	0	0	0	0	120
16	A	22.3	Very low	25.4	Very low	95 Å²	95	134.1 Å²	134.1	79%	0.785	75%	0.749	S	S	*	*			trans	50.6	92.5	141.1	0	0	0	0	0	119.1
17	T	20.3	Very low	25.6	Very low	109 Å²	109	135.5 Å²	135.5	67%	0.669	74%	0.743	S	S	*	*			trans	-164.1	107	133.1	-9.2	0	0	0	0	109.7	F19	T17-F19 VanDerWaalsContact CB-CE2 3.49Å; T17-F19 HydrophobicContact CG2-CD2 3.71Å; T17-F19 HydrophobicContact CG2-CE2 3.33Å; T17-F19 HydrophobicContact CG2-CZ 3.92Å; T17-F19 PolarHBondContact O-N 3.48Å
18	T	21.9	Very low	24.9	Very low	142 Å²	142	135.9 Å²	135.9	87%	0.871	74%	0.743	S	S	*	*			trans	-75.6	80.2	166.6	-52.2	0	0	0	0	107.7	I20	T18-I20 PolarHBondContact O-N 3.04Å
19	F	22.3	Very low	24.9	Very low	156 Å²	156	140.5 Å²	140.5	68%	0.684	75%	0.747	S	S	*	*			trans	-72.3	110.9	165.6	-82.2	-78.9	0	0	0	108.4	T17 K21	T17-F19 VanDerWaalsContact CB-CE2 3.49Å; T17-F19 HydrophobicContact CG2-CD2 3.71Å; T17-F19 HydrophobicContact CG2-CE2 3.33Å; T17-F19 HydrophobicContact CG2-CZ 3.92Å; T17-F19 PolarHBondContact O-N 3.48Å; F19-K21 PolarHBondContact O-N 3.48Å
20	I	23.9	Very low	24.9	Very low	161 Å²	161	140.4 Å²	140.4	83%	0.826	75%	0.748	S	S	*	*			trans	-64.9	90.9	156.4	-61.1	175.8	0	0	0	105.8	T18 K22	T18-I20 PolarHBondContact O-N 3.04Å; I20-K22 PolarHBondContact O-N 3.37Å; I20-K22 VanDerWaalsContact O-N 3.08Å
21	K	26.9	Very low	24.9	Very low	188 Å²	188	142.2 Å²	142.2	82%	0.817	76%	0.758	S	S	*	*			trans	-64.4	109.3	174	-101.6	-176.5	174.6	180	0	108.7	F19 S23	F19-K21 PolarHBondContact O-N 3.48Å; K21-S23 PolarHBondContact O-N 2.94Å
22	K	24.8	Very low	24.9	Very low	191 Å²	191	141.3 Å²	141.3	83%	0.83	77%	0.766	S	S	*	*			trans	-58.4	110.1	148.4	-85.4	178.8	173.5	176.5	0	107.5	I20	I20-K22 PolarHBondContact O-N 3.37Å; I20-K22 VanDerWaalsContact O-N 3.08Å
23	S	27.7	Very low	25	Very low	108 Å²	108	135.2 Å²	135.2	76%	0.755	76%	0.764	S	S	*	*			trans	-104.7	81.2	156.8	61.9	0	0	0	0	108.1	K21	K21-S23 PolarHBondContact O-N 2.94Å
24	I	25.3	Very low	25	Very low	135 Å²	135	135.6 Å²	135.6	69%	0.692	77%	0.772	S	S	*	*			trans	-93.4	98.1	152.9	-62.9	175.4	0	0	0	104.1	T26	I24-T26 HydrophobicContact CG2-CG2 4.49Å; I24-T26 PolarHBondContact O-N 3.48Å
25	E	25.8	Very low	25.2	Very low	164 Å²	164	141.1 Å²	141.1	77%	0.766	78%	0.783	S	S	*	*			trans	-80.6	99.9	162.4	-80.6	-168.7	168.3	0	0	107.7	K27	E25-K27 PolarHBondContact O-N 3.42Å
26	T	23.9	Very low	25.4	Very low	125 Å²	125	139.7 Å²	139.7	77%	0.767	79%	0.786	S	S	*	*			trans	-73.9	105.9	159.2	19.3	0	0	0	0	108.1	I24	I24-T26 HydrophobicContact CG2-CG2 4.49Å; I24-T26 PolarHBondContact O-N 3.48Å
27	K	27.5	Very low	25.6	Very low	159 Å²	159	139.8 Å²	139.8	69%	0.691	79%	0.786	S	S	*	*			trans	-101.3	112.8	159.4	-84.6	-177.3	176.1	176.6	0	108.9	E25 F29	E25-K27 PolarHBondContact O-N 3.42Å; K27-F29 HydrophobicContact CB-CD2 4.25Å; K27-F29 HydrophobicContact CB-CE2 4.24Å; K27-F29 HydrophobicContact CD-CE2 4.25Å
28	V	25.6	Very low	25.9	Very low	125 Å²	125	143.3 Å²	143.3	76%	0.758	79%	0.793	S	S	*	*			trans	-62.9	123.4	163.6	177.4	0	0	0	0	107.6
29	F	27.3	Very low	26.2	Very low	183 Å²	183	143.9 Å²	143.9	80%	0.803	79%	0.789	S	S	*	*			trans	-143.3	135.3	159.1	-82.4	-71.8	0	0	0	109.9	K27	K27-F29 HydrophobicContact CB-CD2 4.25Å; K27-F29 HydrophobicContact CB-CE2 4.24Å; K27-F29 HydrophobicContact CD-CE2 4.25Å
30	D	26	Very low	26.5	Very low	144 Å²	144	137.6 Å²	137.6	77%	0.77	77%	0.768	S	S	*	*			trans	-69.2	159.2	-171.3	-67.2	-42.8	0	0	0	115	A32	D30-A32 PolarHBondContact O-N 3.43Å
31	D	27.4	Very low	26.6	Very low	164 Å²	164	138.1 Å²	138.1	88%	0.877	77%	0.769	S	S	*	*	S	Bend	trans	4.7	98	156.5	-67.7	-23.4	0	0	0	118.5
32	A	27.3	Very low	26.6	Very low	100 Å²	100	135.4 Å²	135.4	83%	0.826	76%	0.764	S	S	*	*				161.4	124.2	125.7	0	0	0	0	0	111.8	D30	D30-A32 PolarHBondContact O-N 3.43Å
33	G	27.1	Very low	26.8	Very low	71 Å²	71	128.3 Å²	128.3	73%	0.732	74%	0.741	S	S	*	*			trans	74.9	85.9	143.6	0	0	0	0	0	118.5
34	S	26.6	Very low	26.9	Very low	120 Å²	120	129.8 Å²	129.8	84%	0.839	75%	0.748	S	S	*	*			trans	36.2	94.6	132	-50.7	0	0	0	0	119
35	K	26.6	Very low	27.1	Very low	216 Å²	216	130.1 Å²	130.1	94%	0.939	75%	0.75	S	S	*	*			trans	174.1	91.5	134.4	-97.3	170.3	-175.1	-176.7	0	109.6
36	G	26.7	Very low	27.2	Very low	78 Å²	78	127.7 Å²	127.7	80%	0.804	74%	0.741	S	S	*	*			trans	-96.1	99.3	173.5	0	0	0	0	0	111.4
37	A	27.5	Very low	27.4	Very low	96 Å²	96	124 Å²	124	79%	0.793	73%	0.728	S	S	*	*			trans	-94.3	109.5	161	0	0	0	0	0	107.8
38	F	27	Very low	27.3	Very low	184 Å²	184	125 Å²	125	81%	0.807	73%	0.728	S	S	*	*			trans	-76.6	128.8	172.3	-92	-88.8	0	0	0	110.1	G40	F38-G40 PolarHBondContact O-N 2.9Å
39	I	27.7	Very low	27.5	Very low	153 Å²	153	126.3 Å²	126.3	79%	0.785	72%	0.72	S	S	*	*			trans	-73.3	115.1	174.2	-63.4	172	0	0	0	107.6
40	G	28.4	Very low	27.5	Very low	25 Å²	25	120.9 Å²	120.9	26%	0.258	72%	0.716	S	S	.	*			trans	-60.6	139.4	-178	0	0	0	0	0	113.3	F38 N42	F38-G40 PolarHBondContact O-N 2.9Å; G40-N42 PolarHBondContact O-N 3.22Å
41	M	24.8	Very low	27.5	Very low	171 Å²	171	120.4 Å²	120.4	84%	0.842	71%	0.712	S	S	*	*			trans	-64.8	126.8	169.2	-73	177.4	75.5	0	0	109.7	A43	M41-A43 PolarHBondContact O-N 3.15Å
42	N	28	Very low	27.5	Very low	132 Å²	132	118.5 Å²	118.5	71%	0.706	71%	0.707	S	S	*	*			trans	-77.4	104.6	167.7	-93.7	-10.1	0	0	0	108.7	G40	G40-N42 PolarHBondContact O-N 3.22Å
43	A	29.2	Very low	27.5	Very low	42 Å²	42	119.7 Å²	119.7	35%	0.347	70%	0.698	S	S	.	*			trans	-95.4	122.3	163.7	0	0	0	0	0	108.7	M41 L45 I46	M41-A43 PolarHBondContact O-N 3.15Å; A43-L45 PolarHBondContact O-N 2.97Å; A43-I46 HydrophobicContact CB-CB 4.44Å; A43-I46 HydrophobicContact CB-CG1 4.18Å; A43-I46 PolarHBondContact O-N 3.13Å
44	P	29.9	Very low	27.6	Very low	138 Å²	138	119.2 Å²	119.2	90%	0.896	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.3	-5.7	-172.3	-22.2	31.5	0	0	0	116.3
45	L	28.7	Very low	27.8	Very low	143 Å²	143	120.2 Å²	120.2	75%	0.749	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.6	-4.7	-174.3	-87.4	152.7	0	0	0	114.3	A43	A43-L45 PolarHBondContact O-N 2.97Å
46	I	28.8	Very low	28	Very low	112 Å²	112	112.6 Å²	112.6	57%	0.574	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130.8	1.4	-170.6	-24.4	-178.8	0	0	0	113.5	A43 Y49	A43-I46 HydrophobicContact CB-CB 4.44Å; A43-I46 HydrophobicContact CB-CG1 4.18Å; A43-I46 PolarHBondContact O-N 3.13Å; I46-Y49 HydrophobicContact CB-CE2 4.44Å; I46-Y49 HydrophobicContact CG2-CE2 3.75Å; I46-Y49 VanDerWaalsContact O-CE2 3.24Å; I46-Y49 WeakPolarHBondContact O-CE2 3.47Å
47	G	27.5	Very low	28	Very low	48 Å²	48	112.3 Å²	112.3	50%	0.495	67%	0.671	S	S	.	*			trans	65.3	170.8	-179.9	0	0	0	0	0	114	Y49	G47-Y49 PolarHBondContact O-N 2.57Å
48	R	25.6	Very low	27.8	Very low	180 Å²	180	111.7 Å²	111.7	68%	0.679	66%	0.657	S	S	*	*			trans	-74.5	113.1	179.8	-93.6	-178.2	170.8	178.5	-3.6	110.5
49	Y	30.4	Very low	27.8	Very low	153 Å²	153	108.6 Å²	108.6	60%	0.6	65%	0.648	S	S	*	*			trans	-89.6	124.1	162.9	-75.3	-86.4	0	0	0	110.4	I46 G47	I46-Y49 HydrophobicContact CB-CE2 4.44Å; I46-Y49 HydrophobicContact CG2-CE2 3.75Å; I46-Y49 VanDerWaalsContact O-CE2 3.24Å; I46-Y49 WeakPolarHBondContact O-CE2 3.47Å; G47-Y49 PolarHBondContact O-N 2.57Å
50	G	26.7	Very low	27.7	Very low	69 Å²	69	107.4 Å²	107.4	71%	0.711	64%	0.643	S	S	*	*			trans	-86.4	115.6	167.7	0	0	0	0	0	109.9	T52	G50-T52 PolarHBondContact O-N 3.43Å
51	L	25.4	Very low	27.5	Very low	134 Å²	134	113 Å²	113	70%	0.702	67%	0.666	S	S	*	*			trans	-82.8	107.4	166.5	-84.4	156.2	0	0	0	108.3
52	T	27.1	Very low	27.6	Very low	123 Å²	123	108.2 Å²	108.2	76%	0.755	66%	0.66	S	S	*	*			trans	-102.7	106.1	172.6	-43.7	0	0	0	0	108.8	G50	G50-T52 PolarHBondContact O-N 3.43Å
53	I	27	Very low	27.6	Very low	126 Å²	126	113 Å²	113	65%	0.646	67%	0.669	S	S	*	*			trans	-87.5	111.8	172.6	-59	172.8	0	0	0	107
54	S	29.7	Very low	27.5	Very low	61 Å²	61	118.3 Å²	118.3	43%	0.427	68%	0.684	S	S	.	*			trans	-81.7	157.8	171	59.4	0	0	0	0	110.6	G56	S54-G56 PolarHBondContact O-N 3.38Å
55	S	32	Very low	27.5	Very low	140 Å²	140	120 Å²	120	98%	0.979	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.1	34.9	-171.1	54.9	0	0	0	0	115.6
56	G	30.9	Very low	27.6	Very low	57 Å²	57	115.1 Å²	115.1	59%	0.588	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136.8	12	179.1	0	0	0	0	0	114.9	S54 T58	S54-G56 PolarHBondContact O-N 3.38Å; G56-T58 PolarHBondContact O-N 3.2Å; G56-T58 VanDerWaalsContact O-N 3.12Å; G56-T58 PolarHBondContact O-OG1 3.1Å
57	G	26.6	Very low	27.9	Very low	72 Å²	72	114 Å²	114	74%	0.742	65%	0.652	S	S	*	*	S	Bend	trans	69.4	6.1	178.4	0	0	0	0	0	115
58	T	23.4	Very low	28.5	Very low	83 Å²	83	115.8 Å²	115.8	51%	0.509	64%	0.644	S	S	.	*			trans	-90.8	110.8	177.8	-21.1	0	0	0	0	109.7	G56 N60	G56-T58 PolarHBondContact O-N 3.2Å; G56-T58 VanDerWaalsContact O-N 3.12Å; G56-T58 PolarHBondContact O-OG1 3.1Å; T58-N60 PolarHBondContact O-N 3.32Å; T58-N60 VanDerWaalsContact O-N 3.13Å
59	I	25.8	Very low	28.9	Very low	119 Å²	119	109.7 Å²	109.7	61%	0.61	63%	0.632	S	S	*	*			trans	-77	95.6	171.4	-57.5	174.3	0	0	0	107.2	L61	I59-L61 HydrophobicContact CG2-CG 4.29Å; I59-L61 PolarHBondContact O-N 3.19Å; I59-L61 VanDerWaalsContact O-N 3.11Å
60	N	25.4	Very low	29.3	Very low	127 Å²	127	107.5 Å²	107.5	68%	0.679	64%	0.635	S	S	*	*			trans	-78.3	90.8	166.6	-82.5	-32.9	0	0	0	108.3	T58 G62	T58-N60 PolarHBondContact O-N 3.32Å; T58-N60 VanDerWaalsContact O-N 3.13Å; N60-G62 PolarHBondContact O-N 3.29Å
61	L	25	Very low	29.6	Very low	144 Å²	144	109.3 Å²	109.3	75%	0.754	63%	0.628	S	S	*	*			trans	-58.6	109.9	158.4	-74.5	163.2	0	0	0	106.2	I59 R63	I59-L61 HydrophobicContact CG2-CG 4.29Å; I59-L61 PolarHBondContact O-N 3.19Å; I59-L61 VanDerWaalsContact O-N 3.11Å; L61-R63 PolarHBondContact O-N 3.06Å
62	G	25.9	Very low	30.2	Very low	70 Å²	70	110.6 Å²	110.6	72%	0.722	62%	0.623	S	S	*	*			trans	-48.1	122.5	171.8	0	0	0	0	0	107.7	N60 F64	N60-G62 PolarHBondContact O-N 3.29Å; G62-F64 PolarHBondContact O-N 3.17Å
63	R	27.7	Very low	30.7	Very low	232 Å²	232	109.7 Å²	109.7	88%	0.875	61%	0.614	S	S	*	*			trans	-46.6	106.1	-174.4	-85.3	-178.6	172.4	-179.1	-4	108.9	L61 K65	L61-R63 PolarHBondContact O-N 3.06Å; R63-K65 PolarHBondContact O-N 3Å
64	F	28.6	Very low	31.2	Very low	154 Å²	154	105.3 Å²	105.3	68%	0.675	60%	0.597	S	S	*	*			trans	-65.9	89.7	158.3	-169	-90.5	0	0	0	104.9	G62 D66	G62-F64 PolarHBondContact O-N 3.17Å; F64-D66 VanDerWaalsContact C-N 3.33Å; F64-D66 HydrophobicContact CD1-CB 4.49Å; F64-D66 HydrophobicContact CE1-CB 4.35Å; F64-D66 PolarHBondContact O-N 3.23Å; F64-D66 VanDerWaalsContact O-N 3.12Å
65	K	28.8	Very low	31.6	Very low	172 Å²	172	112.8 Å²	112.8	75%	0.748	62%	0.615	S	S	*	*			trans	-67.4	104.3	159.6	-92.4	-173.9	171.8	-175.3	0	104.4	R63 P67	R63-K65 PolarHBondContact O-N 3Å; K65-P67 WeakPolarHBondContact O-CD 3.28Å; K65-P67 VanDerWaalsContact O-N 3.13Å
66	D	32.3	Very low	31.8	Very low	42 Å²	42	112.8 Å²	112.8	23%	0.225	60%	0.604	C	S	.	*			trans	-49	120.6	166	-174.4	-11.3	0	0	0	106.9	F64 R68 A69	F64-D66 VanDerWaalsContact C-N 3.33Å; F64-D66 HydrophobicContact CD1-CB 4.49Å; F64-D66 HydrophobicContact CE1-CB 4.35Å; F64-D66 PolarHBondContact O-N 3.23Å; F64-D66 VanDerWaalsContact O-N 3.12Å; D66-R68 PolarHBondContact O-N 2.98Å; D66-R68 VanDerWaalsContact OD1-CB 3.24Å; D66-R68 WeakPolarHBondContact OD1-CB 3.46Å; D66-R68 IonicContact OD1-CZ 2.65Å; D66-R68 PolarHBondContact OD1-N 2.87Å; D66-R68 IonicContact OD1-NE 3.13Å; D66-R68 PolarHBondContact OD1-NE 3.4Å; D66-R68 VanDerWaalsContact OD1-NE 3.1Å; D66-R68 IonicContact OD2-CZ 3.62Å; D66-R68 IonicContact OD2-NE 3.26Å; D66-A69 HydrophobicContact CB-CB 4.47Å; D66-A69 WeakPolarHBondContact O-CB 3.47Å; D66-A69 PolarHBondContact O-N 3.44Å
67	P	34.1	Very low	32.4	Very low	89 Å²	89	112.9 Å²	112.9	58%	0.578	59%	0.591	S	S	*	*	H	α-helix	trans	-53	-23.8	175.7	-24.1	32.5	0	0	0	111.9	K65 T70	K65-P67 WeakPolarHBondContact O-CD 3.28Å; K65-P67 VanDerWaalsContact O-N 3.13Å; P67-T70 PolarHBondContact O-OG1 3.32Å
68	R	40.5	Very low	33.2	Very low	84 Å²	84	112.3 Å²	112.3	32%	0.317	57%	0.568	S	S	.	*	H	α-helix	trans	-77.8	-13.6	175.7	-62.1	170.9	-87.6	175.6	-15.7	114.7	D66 T70 L71 R72	D66-R68 PolarHBondContact O-N 2.98Å; D66-R68 VanDerWaalsContact OD1-CB 3.24Å; D66-R68 WeakPolarHBondContact OD1-CB 3.46Å; D66-R68 IonicContact OD1-CZ 2.65Å; D66-R68 PolarHBondContact OD1-N 2.87Å; D66-R68 IonicContact OD1-NE 3.13Å; D66-R68 PolarHBondContact OD1-NE 3.4Å; D66-R68 VanDerWaalsContact OD1-NE 3.1Å; D66-R68 IonicContact OD2-CZ 3.62Å; D66-R68 IonicContact OD2-NE 3.26Å; R68-T70 VanDerWaalsContact C-N 3.26Å; R68-T70 PolarHBondContact O-N 2.86Å; R68-L71 HydrophobicContact CG-CD1 4.39Å; R68-L71 CarbonylContact O-C 3.45Å; R68-L71 PolarHBondContact O-N 2.93Å; R68-L71 VanDerWaalsContact O-N 3.16Å; R68-R72 VanDerWaalsContact O-CB 3.3Å; R68-R72 WeakPolarHBondContact O-CB 3.43Å; R68-R72 VanDerWaalsContact O-CG 3.32Å; R68-R72 WeakPolarHBondContact O-CG 3.28Å; R68-R72 PolarHBondContact O-N 3.25Å
69	A	34.2	Very low	34.5	Very low	52 Å²	52	111.7 Å²	111.7	43%	0.43	57%	0.565	S	S	.	*	H	α-helix	trans	-64.6	-35.7	174.7	0	0	0	0	0	111.3	D66 D73	D66-A69 HydrophobicContact CB-CB 4.47Å; D66-A69 WeakPolarHBondContact O-CB 3.47Å; D66-A69 PolarHBondContact O-N 3.44Å; A69-D73 PolarHBondContact O-N 2.65Å
70	T	38.3	Very low	35.7	Very low	107 Å²	107	109.2 Å²	109.2	66%	0.656	56%	0.555	S	S	*	*	H	α-helix	trans	-69.7	-33.6	170.9	7.7	0	0	0	0	112.8	P67 R68	P67-T70 PolarHBondContact O-OG1 3.32Å; R68-T70 VanDerWaalsContact C-N 3.26Å; R68-T70 PolarHBondContact O-N 2.86Å
71	L	33.8	Very low	36.9	Very low	108 Å²	108	103.4 Å²	103.4	57%	0.565	52%	0.524	S	S	*	.	H	α-helix	trans	-78.6	-30	177.1	-74.2	153	0	0	0	113.4	R68 A74	R68-L71 HydrophobicContact CG-CD1 4.39Å; R68-L71 CarbonylContact O-C 3.45Å; R68-L71 PolarHBondContact O-N 2.93Å; R68-L71 VanDerWaalsContact O-N 3.16Å; L71-A74 PolarHBondContact O-N 2.84Å
72	R	36.1	Very low	37.9	Very low	161 Å²	161	99.4 Å²	99.4	61%	0.608	51%	0.506	S	S	*	.	H	α-helix	trans	-80.6	-23.3	-178.8	-78.6	178.1	171.1	-176.5	-3.2	113.4	R68	R68-R72 VanDerWaalsContact O-CB 3.3Å; R68-R72 WeakPolarHBondContact O-CB 3.43Å; R68-R72 VanDerWaalsContact O-CG 3.32Å; R68-R72 WeakPolarHBondContact O-CG 3.28Å; R68-R72 PolarHBondContact O-N 3.25Å
73	D	38.6	Very low	38.8	Very low	103 Å²	103	98.4 Å²	98.4	55%	0.551	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-8.1	171.5	-89.7	2.8	0	0	0	113.1	A69 R75 R97	A69-D73 PolarHBondContact O-N 2.65Å; D73-R75 PolarHBondContact O-N 3.25Å; D73-R75 VanDerWaalsContact O-N 3.15Å; D73-R97 VanDerWaalsContact CB-NH1 3.3Å; D73-R97 IonicContact OD2-CZ 2.77Å; D73-R97 IonicContact OD2-NH1 3.87Å; D73-R97 PolarHBondContact OD2-NH1 2.84Å; D73-R97 IonicContact OD2-NH2 3.61Å
74	A	38.6	Very low	39.7	Very low	35 Å²	35	90.6 Å²	90.6	29%	0.289	46%	0.463	S	S	.	.			trans	-86.2	54	174	0	0	0	0	0	110.9	L71 D76 N77	L71-A74 PolarHBondContact O-N 2.84Å; A74-D76 CarbonylContact O-C 3.25Å; A74-D76 PolarHBondContact O-N 2.84Å; A74-D76 VanDerWaalsContact O-N 3.11Å; A74-N77 WeakPolarHBondContact CB-OD1 3.42Å; A74-N77 PolarHBondContact O-N 3.42Å; A74-N77 PolarHBondContact O-OD1 2.88Å
75	R	36.1	Very low	40.6	Very low	217 Å²	217	86.8 Å²	86.8	82%	0.819	45%	0.445	S	S	*	.	S	Bend	trans	-64.3	-8.8	171.6	-93.8	-173.4	173.9	-178.8	-2	113.3	D73	D73-R75 PolarHBondContact O-N 3.25Å; D73-R75 VanDerWaalsContact O-N 3.15Å
76	D	36.5	Very low	41.3	Very low	140 Å²	140	81.2 Å²	81.2	75%	0.749	44%	0.436	S	S	*	.			trans	-118.8	92.9	158.2	-79.7	-45.5	0	0	0	108.5	A74 K78	A74-D76 CarbonylContact O-C 3.25Å; A74-D76 PolarHBondContact O-N 2.84Å; A74-D76 VanDerWaalsContact O-N 3.11Å; D76-K78 PolarHBondContact O-N 2.9Å
77	N	43.8	Very low	41.5	Very low	59 Å²	59	83 Å²	83	32%	0.316	45%	0.446	S	S	.	.			trans	-70.6	4	167.8	-83.6	-12	0	0	0	112.6	A74	A74-N77 WeakPolarHBondContact CB-OD1 3.42Å; A74-N77 PolarHBondContact O-N 3.42Å; A74-N77 PolarHBondContact O-OD1 2.88Å
78	K	44.4	Very low	41.5	Very low	60 Å²	60	82.1 Å²	82.1	26%	0.261	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	114.7	-173.6	-171.8	178.6	-174.9	-171.5	0	109.7	D76 V80 C437 R579	D76-K78 PolarHBondContact O-N 2.9Å; K78-V80 HydrophobicContact CD-CG2 4.22Å; K78-V80 HydrophobicContact CG-CG2 4.26Å; K78-C437 WeakPolarHBondContact CE-SG 3.48Å; K78-C437 VanDerWaalsContact CG-SG 3.57Å; K78-R579 PolarHBondContact NZ-O 2.91Å
79	V	50.8	Low	41.3	Very low	71 Å²	71	81.7 Å²	81.7	43%	0.43	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	104.3	165.6	-174.9	0	0	0	0	107.8	V81	V79-V81 HydrophobicContact CG1-CG2 3.86Å; V79-V81 PolarHBondContact O-N 2.87Å
80	V	49.9	Very low	41	Very low	66 Å²	66	84.8 Å²	84.8	40%	0.4	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	112	165.2	176.3	0	0	0	0	107	K78 P82 E435	K78-V80 HydrophobicContact CD-CG2 4.22Å; K78-V80 HydrophobicContact CG-CG2 4.26Å; V80-P82 WeakPolarHBondContact O-CD 3.42Å; V80-E435 HydrophobicContact CG1-CG 4.14Å; V80-E435 WeakPolarHBondContact CG1-OE1 3.45Å
81	V	51.8	Low	40.8	Very low	6 Å²	6	86.1 Å²	86.1	4%	0.036	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	118.2	177.9	-179.5	0	0	0	0	108.6	V79 Y85 M436	V79-V81 HydrophobicContact CG1-CG2 3.86Å; V79-V81 PolarHBondContact O-N 2.87Å; V81-Y85 VanDerWaalsContact CG1-CB 3.43Å; V81-Y85 HydrophobicContact CG1-CD1 3.48Å; V81-Y85 VanDerWaalsContact CG1-CD1 3.48Å; V81-Y85 HydrophobicContact CG1-CD2 3.79Å; V81-Y85 HydrophobicContact CG1-CE1 3.94Å; V81-Y85 HydrophobicContact CG1-CE2 4.23Å; V81-Y85 HydrophobicContact CG1-CG 3.33Å; V81-M436 HydrophobicContact CB-CB 4.49Å; V81-M436 HydrophobicContact CB-CE 3.61Å; V81-M436 HydrophobicContact CG1-CE 3.98Å; V81-M436 HydrophobicContact CG2-CE 3.34Å; V81-M436 PolarHBondContact N-O 3.01Å
82	P	44.4	Very low	40.6	Very low	59 Å²	59	86.2 Å²	86.2	38%	0.383	47%	0.471	S	S	.	.			trans	-58.7	155.3	-179.1	-24.8	34.6	0	0	0	112.2	V80 D84 Y85	V80-P82 WeakPolarHBondContact O-CD 3.42Å; P82-D84 WeakPolarHBondContact CB-OD1 3.44Å; P82-D84 PolarHBondContact O-N 2.93Å; P82-Y85 VanDerWaalsContact O-CB 3.27Å; P82-Y85 WeakPolarHBondContact O-CB 3.3Å; P82-Y85 PolarHBondContact O-N 2.97Å
83	P	46.5	Very low	40.7	Very low	50 Å²	50	80.1 Å²	80.1	33%	0.325	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-34.7	-176.8	-23.3	34.2	0	0	0	113.1	Y85 Q423 V433	P83-Y85 PolarHBondContact O-N 3.49Å; P83-Q423 VanDerWaalsContact O-CD 3.24Å; P83-Q423 WeakPolarHBondContact O-CG 3.44Å; P83-Q423 PolarHBondContact O-NE2 2.85Å; P83-V433 HydrophobicContact CB-CG1 3.57Å; P83-V433 HydrophobicContact CB-CG2 4.48Å; P83-V433 HydrophobicContact CG-CB 4.45Å; P83-V433 HydrophobicContact CG-CG1 3.15Å
84	D	45.9	Very low	40.3	Very low	68 Å²	68	79.6 Å²	79.6	36%	0.364	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	4.7	-174.5	71.2	-40.4	0	0	0	114.3	P82 N87 K91	P82-D84 WeakPolarHBondContact CB-OD1 3.44Å; P82-D84 PolarHBondContact O-N 2.93Å; D84-N87 PolarHBondContact O-N 2.8Å; D84-K91 IonicContact OD2-NZ 2.77Å; D84-K91 PolarHBondContact OD2-NZ 2.69Å
85	Y	48.3	Very low	40.1	Very low	73 Å²	73	81.9 Å²	81.9	29%	0.286	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	130.5	179.3	-146	-105.2	0	0	0	111.5	V81 P82 P83 I93	V81-Y85 VanDerWaalsContact CG1-CB 3.43Å; V81-Y85 HydrophobicContact CG1-CD1 3.48Å; V81-Y85 VanDerWaalsContact CG1-CD1 3.48Å; V81-Y85 HydrophobicContact CG1-CD2 3.79Å; V81-Y85 HydrophobicContact CG1-CE1 3.94Å; V81-Y85 HydrophobicContact CG1-CE2 4.23Å; V81-Y85 HydrophobicContact CG1-CG 3.33Å; P82-Y85 VanDerWaalsContact O-CB 3.27Å; P82-Y85 WeakPolarHBondContact O-CB 3.3Å; P82-Y85 PolarHBondContact O-N 2.97Å; P83-Y85 PolarHBondContact O-N 3.49Å; Y85-I93 HydrophobicContact CE1-CD1 3.36Å; Y85-I93 HydrophobicContact CE1-CG1 3.55Å; Y85-I93 HydrophobicContact CE2-CG1 4.05Å; Y85-I93 VanDerWaalsContact CZ-CD1 3.48Å; Y85-I93 WeakPolarHBondContact OH-CB 3.47Å; Y85-I93 WeakPolarHBondContact OH-CD1 3.34Å; Y85-I93 WeakPolarHBondContact OH-CG1 3.47Å; Y85-I93 WeakPolarHBondContact OH-CG2 3.27Å
86	G	41.5	Very low	40	Very low	55 Å²	55	75.3 Å²	75.3	57%	0.567	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.9	-6.8	-175.3	0	0	0	0	0	115.8	T88	G86-T88 PolarHBondContact O-N 3.03Å
87	N	38.5	Very low	39.7	Very low	81 Å²	81	76.2 Å²	76.2	43%	0.433	45%	0.448	S	S	.	.	S	Bend	trans	-79.5	-14.9	-174.2	-89.9	-10.5	0	0	0	116.2	D84 Q423	D84-N87 PolarHBondContact O-N 2.8Å; N87-Q423 VanDerWaalsContact ND2-CD 3.32Å; N87-Q423 PolarHBondContact ND2-NE2 2.95Å; N87-Q423 PolarHBondContact ND2-OE1 2.85Å; N87-Q423 PolarHBondContact OD1-NE2 3.03Å
88	T	34.1	Very low	38.9	Very low	70 Å²	70	76.9 Å²	76.9	43%	0.429	47%	0.468	S	S	.	.			trans	-149.6	133.9	-176.9	54	0	0	0	0	112.2	G86 T90 K91	G86-T88 PolarHBondContact O-N 3.03Å; T88-T90 WeakPolarHBondContact CB-OG1 3.47Å; T88-T90 PolarHBondContact O-N 3.08Å; T88-T90 PolarHBondContact OG1-OG1 3.34Å; T88-K91 PolarHBondContact O-N 2.81Å
89	A	35.1	Very low	38.1	Very low	74 Å²	74	75.3 Å²	75.3	61%	0.612	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-10.4	171.2	0	0	0	0	0	113.7
90	T	29.1	Very low	37.2	Very low	118 Å²	118	76 Å²	76	72%	0.724	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	-5.6	-176.1	52.1	0	0	0	0	114.7	T88 P92	T88-T90 WeakPolarHBondContact CB-OG1 3.47Å; T88-T90 PolarHBondContact O-N 3.08Å; T88-T90 PolarHBondContact OG1-OG1 3.34Å; T90-P92 VanDerWaalsContact C-CD 3.49Å; T90-P92 WeakPolarHBondContact O-CD 3.32Å
91	K	32.2	Very low	36.7	Very low	134 Å²	134	75.1 Å²	75.1	58%	0.583	47%	0.465	S	S	*	.			trans	-113	80.5	168.7	-69.9	-172.4	-175.7	-178.6	0	108.6	D84 T88 I93	D84-K91 IonicContact OD2-NZ 2.77Å; D84-K91 PolarHBondContact OD2-NZ 2.69Å; T88-K91 PolarHBondContact O-N 2.81Å; K91-I93 PolarHBondContact O-N 3.49Å
92	P	30.3	Very low	36.1	Very low	111 Å²	111	76.1 Å²	76.1	72%	0.721	47%	0.473	S	S	*	.			trans	-57.7	133.2	159.6	29.2	-31.1	0	0	0	105.7	T90	T90-P92 VanDerWaalsContact C-CD 3.49Å; T90-P92 WeakPolarHBondContact O-CD 3.32Å
93	I	38.6	Very low	35.9	Very low	32 Å²	32	78 Å²	78	16%	0.164	49%	0.487	C	S	.	.			trans	-38.1	132	167.7	-60.8	-175.4	0	0	0	108.3	Y85 K91 A95 W220	Y85-I93 HydrophobicContact CE1-CD1 3.36Å; Y85-I93 HydrophobicContact CE1-CG1 3.55Å; Y85-I93 HydrophobicContact CE2-CG1 4.05Å; Y85-I93 VanDerWaalsContact CZ-CD1 3.48Å; Y85-I93 WeakPolarHBondContact OH-CB 3.47Å; Y85-I93 WeakPolarHBondContact OH-CD1 3.34Å; Y85-I93 WeakPolarHBondContact OH-CG1 3.47Å; Y85-I93 WeakPolarHBondContact OH-CG2 3.27Å; K91-I93 PolarHBondContact O-N 3.49Å; I93-A95 PolarHBondContact O-N 3.33Å; I93-W220 HydrophobicContact CD1-CB 4.25Å; I93-W220 HydrophobicContact CD1-CD2 4.48Å; I93-W220 HydrophobicContact CD1-CG 3.62Å
94	P	30.9	Very low	36	Very low	92 Å²	92	77.4 Å²	77.4	60%	0.597	49%	0.486	S	S	*	.			trans	-53.1	116.9	166.9	22.1	-28.9	0	0	0	105.3	T96	P94-T96 PolarHBondContact O-N 3.04Å
95	A	32.7	Very low	36.8	Very low	83 Å²	83	79.4 Å²	79.4	69%	0.686	51%	0.505	S	S	*	.			trans	-53.7	94.1	167.6	0	0	0	0	0	105.3	I93 R97	I93-A95 PolarHBondContact O-N 3.33Å; A95-R97 PolarHBondContact O-N 2.87Å
96	T	34	Very low	37.8	Very low	79 Å²	79	78.6 Å²	78.6	49%	0.485	51%	0.506	S	S	.	.	S	Bend	trans	-71.8	81.3	171.8	34.3	0	0	0	0	104	P94	P94-T96 PolarHBondContact O-N 3.04Å
97	R	30.2	Very low	39.7	Very low	160 Å²	160	78.3 Å²	78.3	60%	0.604	50%	0.495	S	S	*	.	S	Bend	trans	71.5	132.4	-175.1	-51.5	179.2	-176.3	-148.7	2.4	113.1	D73 A95 G99	D73-R97 VanDerWaalsContact CB-NH1 3.3Å; D73-R97 IonicContact OD2-CZ 2.77Å; D73-R97 IonicContact OD2-NH1 3.87Å; D73-R97 PolarHBondContact OD2-NH1 2.84Å; D73-R97 IonicContact OD2-NH2 3.61Å; A95-R97 PolarHBondContact O-N 2.87Å; R97-G99 PolarHBondContact O-N 2.93Å
98	G	27.1	Very low	42	Very low	72 Å²	72	75.3 Å²	75.3	74%	0.742	48%	0.478	S	S	*	.			trans	-52.8	108.5	-177	0	0	0	0	0	112.1	D100	G98-D100 PolarHBondContact O-N 3.46Å; G98-D100 VanDerWaalsContact O-N 3.09Å
99	G	28.3	Very low	44.6	Very low	27 Å²	27	77 Å²	77	28%	0.278	48%	0.484	S	S	.	.			trans	-81.4	60.4	167.3	0	0	0	0	0	110.3	R97 V101	R97-G99 PolarHBondContact O-N 2.93Å; G99-V101 VanDerWaalsContact C-N 3.35Å; G99-V101 PolarHBondContact O-N 3.39Å
100	D	32.3	Very low	47.2	Very low	87 Å²	87	78.1 Å²	78.1	47%	0.465	48%	0.477	S	S	.	.			trans	-65.2	100.1	161.9	-90.5	-26.5	0	0	0	106.9	G98 S102	G98-D100 PolarHBondContact O-N 3.46Å; G98-D100 VanDerWaalsContact O-N 3.09Å; D100-S102 PolarHBondContact O-N 3Å; D100-S102 VanDerWaalsContact O-N 3.09Å
101	V	39.2	Very low	50.1	Low	46 Å²	46	73.6 Å²	73.6	28%	0.279	45%	0.448	S	S	.	.			trans	-80.7	57.8	148.8	-168.3	0	0	0	0	106.8	G99 E126 K221	G99-V101 VanDerWaalsContact C-N 3.35Å; G99-V101 PolarHBondContact O-N 3.39Å; V101-E126 VanDerWaalsContact O-OE2 3.08Å; V101-K221 HydrophobicContact CG2-CD 3.99Å
102	S	39.3	Very low	52.9	Low	28 Å²	28	68.7 Å²	68.7	20%	0.196	43%	0.427	C	S	.	.	S	Bend	trans	-147.4	114.8	-179.4	166	0	0	0	0	106.2	D100 A104	D100-S102 PolarHBondContact O-N 3Å; D100-S102 VanDerWaalsContact O-N 3.09Å; S102-A104 PolarHBondContact O-N 2.92Å; S102-A104 VanDerWaalsContact O-N 3.09Å; S102-A104 PolarHBondContact OG-N 2.86Å; S102-A104 VanDerWaalsContact OG-N 3.09Å; S102-A104 PolarHBondContact OG-O 2.77Å
103	S	40.5	Very low	55.8	Low	99 Å²	99	69.9 Å²	69.9	69%	0.692	42%	0.421	S	S	*	.	S	Bend	trans	-64.2	1.3	165.6	47.1	0	0	0	0	112.7	E126	S103-E126 WeakPolarHBondContact CA-OE1 3.2Å; S103-E126 WeakPolarHBondContact CB-OE1 3.38Å; S103-E126 PolarHBondContact N-OE1 3.31Å; S103-E126 PolarHBondContact OG-OE1 3.28Å
104	A	47.4	Very low	58.4	Low	37 Å²	37	73.3 Å²	73.3	31%	0.306	44%	0.436	S	S	.	.	S	Bend	trans	-104.2	120.8	161.2	0	0	0	0	0	109	S102 L106	S102-A104 PolarHBondContact O-N 2.92Å; S102-A104 VanDerWaalsContact O-N 3.09Å; S102-A104 PolarHBondContact OG-N 2.86Å; S102-A104 VanDerWaalsContact OG-N 3.09Å; S102-A104 PolarHBondContact OG-O 2.77Å; A104-L106 HydrophobicContact CB-CB 4.31Å; A104-L106 HydrophobicContact CB-CD1 4.33Å; A104-L106 HydrophobicContact CB-CG 4.49Å; A104-L106 PolarHBondContact O-N 2.98Å
105	S	63	Low	61.4	Low	109 Å²	109	69.9 Å²	69.9	76%	0.762	41%	0.412	S	S	*	.			trans	-65.5	33.2	171.7	59.3	0	0	0	0	113.5
106	L	68.9	Low	64.3	Low	57 Å²	57	69.1 Å²	69.1	30%	0.298	40%	0.397	S	S	.	.			trans	-119.7	127.2	-171.3	-69.5	169.3	0	0	0	108	A104 Q110	A104-L106 HydrophobicContact CB-CB 4.31Å; A104-L106 HydrophobicContact CB-CD1 4.33Å; A104-L106 HydrophobicContact CB-CG 4.49Å; A104-L106 PolarHBondContact O-N 2.98Å; L106-Q110 VanDerWaalsContact CA-OE1 3.29Å; L106-Q110 HydrophobicContact CB-CB 4.26Å; L106-Q110 HydrophobicContact CD2-CB 4.1Å
107	S	83.2	Confident	67.2	Low	49 Å²	49	72.5 Å²	72.5	34%	0.343	41%	0.407	S	S	.	.			trans	-64.5	160.3	174.2	70	0	0	0	0	111.5	D109 Q110 L111	S107-D109 PolarHBondContact O-N 3.2Å; S107-Q110 WeakPolarHBondContact O-CB 3.39Å; S107-Q110 PolarHBondContact O-N 3.09Å; S107-Q110 WeakPolarHBondContact OG-CG 3.22Å; S107-Q110 PolarHBondContact OG-N 2.81Å; S107-L111 PolarHBondContact O-N 3.34Å
108	Y	86.6	Confident	70.2	Confident	17 Å²	17	67.9 Å²	67.9	7%	0.067	40%	0.399	C	S	.	.	H	α-helix	trans	-49.5	-45.2	175.1	170.2	-90.8	0	0	0	112.6	Q110 L111 K112 L209 R211 E222 V224	Y108-Q110 VanDerWaalsContact C-N 3.33Å; Y108-Q110 PolarHBondContact O-N 2.97Å; Y108-L111 PolarHBondContact O-N 2.99Å; Y108-K112 HydrophobicContact CE1-CD 3.97Å; Y108-K112 VanDerWaalsContact O-CB 3.25Å; Y108-K112 WeakPolarHBondContact O-CB 3.45Å; Y108-K112 PolarHBondContact O-N 3.18Å; Y108-L209 HydrophobicContact CD2-CD2 3.77Å; Y108-L209 HydrophobicContact CD2-CG 4.06Å; Y108-L209 HydrophobicContact CE2-CD2 3.69Å; Y108-L209 HydrophobicContact CE2-CG 3.71Å; Y108-R211 HydrophobicContact CD2-CB 3.8Å; Y108-R211 HydrophobicContact CD2-CG 4.11Å; Y108-R211 HydrophobicContact CE2-CB 3.82Å; Y108-R211 HydrophobicContact CE2-CG 3.84Å; Y108-E222 WeakPolarHBondContact CB-OE1 3.28Å; Y108-V224 HydrophobicContact CD2-CG1 3.87Å
109	D	87.4	Confident	73.4	Confident	105 Å²	105	68 Å²	68	56%	0.561	40%	0.4	S	S	*	.	H	α-helix	trans	-65.4	-36.6	179.7	-67.1	-33.9	0	0	0	112.5	S107 K113	S107-D109 PolarHBondContact O-N 3.2Å; D109-K113 WeakPolarHBondContact O-CB 3.12Å; D109-K113 PolarHBondContact O-N 3.44Å
110	Q	89.7	Confident	76.5	Confident	98 Å²	98	73.5 Å²	73.5	46%	0.458	42%	0.417	S	S	.	.	H	α-helix	trans	-67.4	-44.5	175.8	-70.5	172	-17.9	0	0	110.9	L106 S107 Y108 K113 Q114	L106-Q110 VanDerWaalsContact CA-OE1 3.29Å; L106-Q110 HydrophobicContact CB-CB 4.26Å; L106-Q110 HydrophobicContact CD2-CB 4.1Å; S107-Q110 WeakPolarHBondContact O-CB 3.39Å; S107-Q110 PolarHBondContact O-N 3.09Å; S107-Q110 WeakPolarHBondContact OG-CG 3.22Å; S107-Q110 PolarHBondContact OG-N 2.81Å; Y108-Q110 VanDerWaalsContact C-N 3.33Å; Y108-Q110 PolarHBondContact O-N 2.97Å; Q110-K113 PolarHBondContact O-N 2.88Å; Q110-Q114 WeakPolarHBondContact O-CB 3.38Å; Q110-Q114 PolarHBondContact O-N 2.84Å
111	L	90	Very high	79.5	Confident	24 Å²	24	72.6 Å²	72.6	13%	0.126	41%	0.411	C	S	.	.	H	α-helix	trans	-64.4	-47.5	177.7	-173.8	64.2	0	0	0	111.4	S107 Y108 K113 Q114 L115 F122 L209	S107-L111 PolarHBondContact O-N 3.34Å; Y108-L111 PolarHBondContact O-N 2.99Å; L111-K113 VanDerWaalsContact C-N 3.34Å; L111-K113 PolarHBondContact O-N 3.13Å; L111-Q114 PolarHBondContact O-N 3.25Å; L111-L115 HydrophobicContact CD1-CD1 4.49Å; L111-L115 HydrophobicContact CG-CD1 4.05Å; L111-L115 VanDerWaalsContact O-CG 3.3Å; L111-L115 WeakPolarHBondContact O-CG 3.31Å; L111-L115 PolarHBondContact O-N 3.39Å; L111-F122 HydrophobicContact CD1-CE2 4.41Å; L111-F122 HydrophobicContact CD2-CD2 4.14Å; L111-F122 HydrophobicContact CD2-CE2 3.68Å; L111-F122 HydrophobicContact CD2-CZ 4.04Å; L111-F122 HydrophobicContact CG-CE2 4.44Å; L111-L209 HydrophobicContact CB-CD2 4.37Å; L111-L209 HydrophobicContact CD2-CD1 3.9Å; L111-L209 HydrophobicContact CD2-CD2 4.05Å; L111-L209 HydrophobicContact CG-CD2 4.14Å
112	K	91	Very high	82.2	Confident	31 Å²	31	71.2 Å²	71.2	14%	0.135	40%	0.402	C	S	.	.	H	α-helix	trans	-56.5	-47.5	175.1	-176	175.5	174.1	-167.5	0	110.8	Y108 Q114 L115 L116 E205 L209	Y108-K112 HydrophobicContact CE1-CD 3.97Å; Y108-K112 VanDerWaalsContact O-CB 3.25Å; Y108-K112 WeakPolarHBondContact O-CB 3.45Å; Y108-K112 PolarHBondContact O-N 3.18Å; K112-Q114 PolarHBondContact O-N 3.26Å; K112-L115 PolarHBondContact O-N 2.95Å; K112-L116 HydrophobicContact CG-CD1 3.95Å; K112-L116 HydrophobicContact CG-CG 4.48Å; K112-L116 WeakPolarHBondContact O-CB 3.33Å; K112-L116 VanDerWaalsContact O-CG 3.27Å; K112-L116 WeakPolarHBondContact O-CG 3.38Å; K112-L116 PolarHBondContact O-N 2.88Å; K112-E205 WeakPolarHBondContact CE-OE2 3.46Å; K112-E205 IonicContact NZ-OE2 2.81Å; K112-E205 PolarHBondContact NZ-OE2 3.04Å; K112-L209 HydrophobicContact CB-CD2 4.04Å
113	K	92.3	Very high	84.9	Confident	135 Å²	135	75.5 Å²	75.5	59%	0.587	42%	0.418	S	S	*	.	H	α-helix	trans	-60.7	-43.6	177.6	-173.6	175.9	-178.1	178.1	0	112	D109 Q110 L111 Q117	D109-K113 WeakPolarHBondContact O-CB 3.12Å; D109-K113 PolarHBondContact O-N 3.44Å; Q110-K113 PolarHBondContact O-N 2.88Å; L111-K113 VanDerWaalsContact C-N 3.34Å; L111-K113 PolarHBondContact O-N 3.13Å; K113-Q117 WeakPolarHBondContact O-CB 3.33Å; K113-Q117 VanDerWaalsContact O-CG 3.23Å; K113-Q117 WeakPolarHBondContact O-CG 3.21Å; K113-Q117 PolarHBondContact O-N 3.37Å
114	Q	92.7	Very high	87.4	Confident	105 Å²	105	71 Å²	71	49%	0.491	39%	0.386	S	S	.	.	H	α-helix	trans	-65.2	-41.4	178.3	-176.1	179.2	-14	0	0	112.3	Q110 L111 K112 Q117 S118	Q110-Q114 WeakPolarHBondContact O-CB 3.38Å; Q110-Q114 PolarHBondContact O-N 2.84Å; L111-Q114 PolarHBondContact O-N 3.25Å; K112-Q114 PolarHBondContact O-N 3.26Å; Q114-Q117 PolarHBondContact O-N 3.06Å; Q114-S118 WeakPolarHBondContact O-CB 3.12Å; Q114-S118 PolarHBondContact O-N 3.07Å; Q114-S118 PolarHBondContact O-OG 3.03Å; Q114-S118 VanDerWaalsContact O-OG 3.05Å
115	L	93.4	Very high	89.6	Confident	19 Å²	19	73.9 Å²	73.9	10%	0.099	40%	0.402	C	S	.	.	H	α-helix	trans	-65.3	-46.6	177.8	-71.4	165	0	0	0	111.6	L111 K112 Q117 S118 G119 K120 F122 C207 L209	L111-L115 HydrophobicContact CD1-CD1 4.49Å; L111-L115 HydrophobicContact CG-CD1 4.05Å; L111-L115 VanDerWaalsContact O-CG 3.3Å; L111-L115 WeakPolarHBondContact O-CG 3.31Å; L111-L115 PolarHBondContact O-N 3.39Å; K112-L115 PolarHBondContact O-N 2.95Å; L115-Q117 VanDerWaalsContact C-N 3.33Å; L115-Q117 PolarHBondContact O-N 3.36Å; L115-S118 PolarHBondContact O-N 3.09Å; L115-S118 PolarHBondContact O-OG 3.4Å; L115-S118 VanDerWaalsContact O-OG 3.06Å; L115-G119 PolarHBondContact O-N 3.31Å; L115-K120 PolarHBondContact O-N 3.02Å; L115-F122 HydrophobicContact CD1-CB 3.66Å; L115-F122 HydrophobicContact CD1-CD2 3.93Å; L115-F122 HydrophobicContact CD1-CG 4.09Å; L115-F122 HydrophobicContact CD2-CB 4.37Å; L115-F122 HydrophobicContact CD2-CD2 4.47Å; L115-C207 HydrophobicContact CB-CB 3.85Å; L115-C207 HydrophobicContact CD1-CB 4.45Å; L115-L209 HydrophobicContact CD1-CB 4.19Å; L115-L209 HydrophobicContact CD1-CD2 4.05Å
116	L	93.7	Very high	90.9	Very high	68 Å²	68	72.1 Å²	72.1	36%	0.356	38%	0.382	S	S	.	.	H	α-helix	trans	-60.7	-41.5	176.1	-70	171.5	0	0	0	112.1	K112 S118 G119 E205 C207	K112-L116 HydrophobicContact CG-CD1 3.95Å; K112-L116 HydrophobicContact CG-CG 4.48Å; K112-L116 WeakPolarHBondContact O-CB 3.33Å; K112-L116 VanDerWaalsContact O-CG 3.27Å; K112-L116 WeakPolarHBondContact O-CG 3.38Å; K112-L116 PolarHBondContact O-N 2.88Å; L116-S118 VanDerWaalsContact C-N 3.34Å; L116-G119 PolarHBondContact O-N 3.41Å; L116-E205 HydrophobicContact CD1-CB 4Å; L116-E205 HydrophobicContact CD1-CG 4.3Å; L116-E205 HydrophobicContact CD2-CB 4.37Å; L116-C207 HydrophobicContact CD2-CB 4.11Å; L116-C207 HydrophobicContact CG-CB 4.4Å
117	Q	94.5	Very high	92.1	Very high	150 Å²	150	69.6 Å²	69.6	70%	0.701	37%	0.369	S	S	*	.	H	α-helix	trans	-66.1	-35.8	176.4	-76.2	177.6	-7.6	0	0	112.9	K113 Q114 L115	K113-Q117 WeakPolarHBondContact O-CB 3.33Å; K113-Q117 VanDerWaalsContact O-CG 3.23Å; K113-Q117 WeakPolarHBondContact O-CG 3.21Å; K113-Q117 PolarHBondContact O-N 3.37Å; Q114-Q117 PolarHBondContact O-N 3.06Å; L115-Q117 VanDerWaalsContact C-N 3.33Å; L115-Q117 PolarHBondContact O-N 3.36Å
118	S	94.7	Very high	92.7	Very high	63 Å²	63	69.1 Å²	69.1	44%	0.441	36%	0.364	S	S	.	.	H	α-helix	trans	-84.5	-11.2	179.5	66	0	0	0	0	113.9	Q114 L115 L116 K120	Q114-S118 WeakPolarHBondContact O-CB 3.12Å; Q114-S118 PolarHBondContact O-N 3.07Å; Q114-S118 PolarHBondContact O-OG 3.03Å; Q114-S118 VanDerWaalsContact O-OG 3.05Å; L115-S118 PolarHBondContact O-N 3.09Å; L115-S118 PolarHBondContact O-OG 3.4Å; L115-S118 VanDerWaalsContact O-OG 3.06Å; L116-S118 VanDerWaalsContact C-N 3.34Å; S118-K120 PolarHBondContact O-N 3.45Å
119	G	93.2	Very high	93.1	Very high	74 Å²	74	70.3 Å²	70.3	76%	0.763	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.6	22.9	-175.3	0	0	0	0	0	113.5	L115 L116	L115-G119 PolarHBondContact O-N 3.31Å; L116-G119 PolarHBondContact O-N 3.41Å
120	K	94.1	Very high	93.4	Very high	143 Å²	143	68.3 Å²	68.3	62%	0.622	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-103.8	144.9	-179.3	-67	-176.3	179.1	-178.1	0	110.8	L115 S118	L115-K120 PolarHBondContact O-N 3.02Å; S118-K120 PolarHBondContact O-N 3.45Å
121	L	95.4	Very high	93.6	Very high	68 Å²	68	67.2 Å²	67.2	36%	0.356	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-78.7	143.2	167.5	-59.5	-179.1	0	0	0	109.8	Y206 C207	L121-Y206 HydrophobicContact CD1-CE1 4.46Å; L121-Y206 HydrophobicContact CD2-CD1 4.09Å; L121-Y206 HydrophobicContact CD2-CE1 3.44Å; L121-Y206 VanDerWaalsContact CD2-CE1 3.44Å; L121-C207 CarbonylContact C-O 3.55Å; L121-C207 WeakPolarHBondContact CA-O 3.36Å
122	F	95.5	Very high	93.8	Very high	17 Å²	17	74 Å²	74	8%	0.075	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-62	137.2	175.6	-173.3	-126.5	0	0	0	110.7	L111 L115 D124 R148 C207 L209 V224 D226	L111-F122 HydrophobicContact CD1-CE2 4.41Å; L111-F122 HydrophobicContact CD2-CD2 4.14Å; L111-F122 HydrophobicContact CD2-CE2 3.68Å; L111-F122 HydrophobicContact CD2-CZ 4.04Å; L111-F122 HydrophobicContact CG-CE2 4.44Å; L115-F122 HydrophobicContact CD1-CB 3.66Å; L115-F122 HydrophobicContact CD1-CD2 3.93Å; L115-F122 HydrophobicContact CD1-CG 4.09Å; L115-F122 HydrophobicContact CD2-CB 4.37Å; L115-F122 HydrophobicContact CD2-CD2 4.47Å; F122-D124 HydrophobicContact CE1-CB 3.89Å; F122-D124 HydrophobicContact CZ-CB 4.21Å; F122-R148 PolarHBondContact O-NH1 3.42Å; F122-R148 PolarHBondContact O-NH2 2.86Å; F122-C207 PolarHBondContact N-O 3.09Å; F122-L209 HydrophobicContact CB-CB 3.93Å; F122-L209 HydrophobicContact CB-CD1 4.33Å; F122-L209 HydrophobicContact CD1-CB 4.3Å; F122-L209 HydrophobicContact CD1-CD1 3.3Å; F122-L209 HydrophobicContact CD1-CG 4.39Å; F122-L209 HydrophobicContact CD2-CD1 4.25Å; F122-L209 HydrophobicContact CE1-CD1 3.51Å; F122-L209 HydrophobicContact CE2-CD1 4.44Å; F122-L209 HydrophobicContact CG-CB 4.26Å; F122-L209 HydrophobicContact CG-CD1 3.71Å; F122-L209 HydrophobicContact CZ-CD1 4.09Å; F122-V224 HydrophobicContact CZ-CG2 4.47Å; F122-D226 HydrophobicContact CB-CB 4.46Å; F122-D226 HydrophobicContact CD1-CB 3.73Å; F122-D226 HydrophobicContact CE1-CB 4.43Å; F122-D226 HydrophobicContact CG-CB 4.44Å; F122-D226 WeakPolarHBondContact O-CB 3.45Å
123	E	94.8	Very high	94	Very high	117 Å²	117	72.7 Å²	72.7	55%	0.547	38%	0.384	S	S	.	.			trans	-126.1	119.8	167.7	-62.7	-166.1	155.2	0	0	106.5	P125 R228	E123-P125 WeakPolarHBondContact O-CD 3.21Å; E123-R228 IonicContact OE1-CZ 2.8Å; E123-R228 IonicContact OE1-NH2 2.84Å; E123-R228 PolarHBondContact OE1-NH2 3.24Å
124	D	94	Very high	94.1	Very high	4 Å²	4	66.2 Å²	66.2	2%	0.021	36%	0.356	C	S	.	.			trans	-75.1	111.6	-174	-169.3	-20.9	0	0	0	110.4	F122 E126 F127 D226 K258	F122-D124 HydrophobicContact CE1-CB 3.89Å; F122-D124 HydrophobicContact CZ-CB 4.21Å; D124-E126 PolarHBondContact O-N 2.99Å; D124-E126 WeakPolarHBondContact OD1-CB 3.4Å; D124-E126 PolarHBondContact OD1-N 3.06Å; D124-F127 HydrophobicContact CB-CB 4.48Å; D124-F127 CarbonylContact O-C 3.52Å; D124-F127 PolarHBondContact OD1-N 3.07Å; D124-D226 HydrophobicContact CB-CB 4.5Å; D124-D226 PolarHBondContact N-OD2 2.94Å; D124-K258 VanDerWaalsContact CG-NZ 3.33Å; D124-K258 IonicContact OD1-NZ 3.24Å; D124-K258 PolarHBondContact OD1-NZ 3.14Å; D124-K258 WeakPolarHBondContact OD2-CD 3.33Å; D124-K258 WeakPolarHBondContact OD2-CE 3.27Å; D124-K258 IonicContact OD2-NZ 3.48Å; D124-K258 PolarHBondContact OD2-NZ 3.22Å
125	P	92.5	Very high	94.1	Very high	99 Å²	99	63.4 Å²	63.4	64%	0.643	34%	0.341	S	S	*	.	S	Bend	trans	-71	-21.6	-179.2	30.1	-33.8	0	0	0	112.4	E123	E123-P125 WeakPolarHBondContact O-CD 3.21Å
126	E	90.5	Very high	93.9	Very high	71 Å²	71	66.2 Å²	66.2	33%	0.332	35%	0.353	S	S	.	.	S	Bend	trans	-91.6	-24.8	-176.9	-56.9	-167.9	155	0	0	112.8	V101 S103 D124 P128 K258	V101-E126 VanDerWaalsContact O-OE2 3.08Å; S103-E126 WeakPolarHBondContact CA-OE1 3.2Å; S103-E126 WeakPolarHBondContact CB-OE1 3.38Å; S103-E126 PolarHBondContact N-OE1 3.31Å; S103-E126 PolarHBondContact OG-OE1 3.28Å; D124-E126 PolarHBondContact O-N 2.99Å; D124-E126 WeakPolarHBondContact OD1-CB 3.4Å; D124-E126 PolarHBondContact OD1-N 3.06Å; E126-P128 VanDerWaalsContact C-CD 3.49Å; E126-K258 IonicContact OE2-NZ 3.51Å
127	F	95	Very high	93.7	Very high	4 Å²	4	66.6 Å²	66.6	2%	0.018	36%	0.361	C	S	.	.	S	Bend	trans	-129.3	65.9	177.8	-155.8	-107.7	0	0	0	111	D124 S133 W146 K254 A257 K258 Y263	D124-F127 HydrophobicContact CB-CB 4.48Å; D124-F127 CarbonylContact O-C 3.52Å; D124-F127 PolarHBondContact OD1-N 3.07Å; F127-S133 WeakPolarHBondContact CZ-O 3.37Å; F127-W146 HydrophobicContact CE1-CH2 4.31Å; F127-K254 HydrophobicContact CD1-CG 4.34Å; F127-K254 HydrophobicContact CE1-CG 4.08Å; F127-A257 HydrophobicContact CZ-CB 4.02Å; F127-K258 HydrophobicContact CB-CB 4.19Å; F127-K258 HydrophobicContact CB-CD 3.86Å; F127-K258 HydrophobicContact CB-CG 3.93Å; F127-K258 HydrophobicContact CD1-CB 4.25Å; F127-K258 HydrophobicContact CD2-CB 3.8Å; F127-K258 HydrophobicContact CD2-CG 4.07Å; F127-K258 HydrophobicContact CE2-CB 4.17Å; F127-K258 HydrophobicContact CG-CB 3.82Å; F127-K258 HydrophobicContact CG-CD 4.43Å; F127-K258 HydrophobicContact CG-CG 4.07Å; F127-Y263 HydrophobicContact CE1-CD2 4.37Å; F127-Y263 AromaticContact CE1-CE2 4Å; F127-Y263 HydrophobicContact CE1-CE2 4Å; F127-Y263 HydrophobicContact CZ-CD2 4.16Å; F127-Y263 HydrophobicContact CZ-CE2 4.23Å
128	P	95.3	Very high	93.5	Very high	39 Å²	39	64.9 Å²	64.9	25%	0.253	35%	0.353	S	S	.	.			trans	-65.5	151.5	-171.2	28.2	-36.8	0	0	0	111.7	E126 N130 S133	E126-P128 VanDerWaalsContact C-CD 3.49Å; P128-N130 VanDerWaalsContact CG-ND2 3.33Å; P128-N130 WeakPolarHBondContact CG-ND2 3.45Å; P128-N130 PolarHBondContact O-N 3.27Å; P128-S133 WeakPolarHBondContact O-CB 3.48Å; P128-S133 PolarHBondContact O-OG 2.83Å
129	P	95.5	Very high	93.2	Very high	42 Å²	42	71.7 Å²	71.7	27%	0.273	37%	0.369	S	S	.	.	S	Bend	trans	-76.3	66.2	-179.9	32.4	-37.5	0	0	0	111.7	W146 R228	P129-W146 VanDerWaalsContact C-NE1 3.34Å; P129-W146 HydrophobicContact CB-CB 3.64Å; P129-W146 HydrophobicContact CB-CD2 3.59Å; P129-W146 HydrophobicContact CB-CE3 3.91Å; P129-W146 HydrophobicContact CB-CG 3.49Å; P129-W146 VanDerWaalsContact CB-CG 3.49Å; P129-W146 VanDerWaalsContact O-CD1 3.3Å; P129-R228 HydrophobicContact CB-CB 4.45Å
130	N	94.5	Very high	93	Very high	63 Å²	63	69 Å²	69	34%	0.337	34%	0.338	S	S	.	.	S	Bend	trans	-143.8	176.6	179.6	69	45.1	0	0	0	112.2	P128 K132 S133	P128-N130 VanDerWaalsContact CG-ND2 3.33Å; P128-N130 WeakPolarHBondContact CG-ND2 3.45Å; P128-N130 PolarHBondContact O-N 3.27Å; N130-K132 PolarHBondContact O-N 3.24Å; N130-K132 VanDerWaalsContact O-N 3.09Å; N130-K132 VanDerWaalsContact OD1-CB 3.28Å; N130-K132 WeakPolarHBondContact OD1-CB 3.49Å; N130-K132 PolarHBondContact OD1-N 3.31Å; N130-S133 PolarHBondContact O-N 3.02Å; N130-S133 VanDerWaalsContact O-N 3.12Å
131	D	93.8	Very high	92.7	Very high	75 Å²	75	67.1 Å²	67.1	40%	0.401	34%	0.34	S	S	.	.	H	α-helix	trans	-55.5	-29.5	-175.2	-64.7	2	0	0	0	114	S133 L134 Y135 P140	D131-S133 VanDerWaalsContact C-N 3.28Å; D131-S133 PolarHBondContact O-N 3.14Å; D131-L134 PolarHBondContact O-N 3.11Å; D131-L134 VanDerWaalsContact O-N 3.09Å; D131-Y135 PolarHBondContact O-N 2.66Å; D131-P140 HydrophobicContact CB-CG 4.26Å
132	K	92.5	Very high	92.4	Very high	166 Å²	166	67.3 Å²	67.3	72%	0.722	34%	0.339	S	S	*	.	H	α-helix	trans	-66.7	-30	-178.7	-62	-177.8	176.5	-179.6	0	112.9	N130 L134	N130-K132 PolarHBondContact O-N 3.24Å; N130-K132 VanDerWaalsContact O-N 3.09Å; N130-K132 VanDerWaalsContact OD1-CB 3.28Å; N130-K132 WeakPolarHBondContact OD1-CB 3.49Å; N130-K132 PolarHBondContact OD1-N 3.31Å; K132-L134 VanDerWaalsContact C-N 3.29Å
133	S	95.4	Very high	92.2	Very high	4 Å²	4	74.3 Å²	74.3	3%	0.028	37%	0.371	C	S	.	.	H	α-helix	trans	-78.4	-19.6	176.8	-58	0	0	0	0	111.6	F127 P128 N130 D131 S262 Y263	F127-S133 WeakPolarHBondContact CZ-O 3.37Å; P128-S133 WeakPolarHBondContact O-CB 3.48Å; P128-S133 PolarHBondContact O-OG 2.83Å; N130-S133 PolarHBondContact O-N 3.02Å; N130-S133 VanDerWaalsContact O-N 3.12Å; D131-S133 VanDerWaalsContact C-N 3.28Å; D131-S133 PolarHBondContact O-N 3.14Å; S133-S262 CarbonylContact O-C 3.51Å; S133-S262 VanDerWaalsContact O-CA 3.29Å; S133-S262 WeakPolarHBondContact O-CA 3.34Å; S133-S262 WeakPolarHBondContact O-CB 3.46Å; S133-Y263 WeakPolarHBondContact O-CD2 3.42Å; S133-Y263 PolarHBondContact O-N 3.15Å
134	L	94.9	Very high	92.2	Very high	0 Å²	0	70.1 Å²	70.1	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-87.9	-56	176.7	-59.1	172.2	0	0	0	111.2	D131 K132 P140 I144 W146 P230 Y238 Y263 E264	D131-L134 PolarHBondContact O-N 3.11Å; D131-L134 VanDerWaalsContact O-N 3.09Å; K132-L134 VanDerWaalsContact C-N 3.29Å; L134-P140 HydrophobicContact CB-CG 4.32Å; L134-P140 HydrophobicContact CD1-CB 4.35Å; L134-P140 HydrophobicContact CD1-CG 3.64Å; L134-I144 HydrophobicContact CD1-CB 3.95Å; L134-I144 HydrophobicContact CD1-CG1 3.96Å; L134-I144 HydrophobicContact CD1-CG2 3.86Å; L134-W146 HydrophobicContact CD1-CZ2 4.35Å; L134-W146 HydrophobicContact CD2-CH2 4.12Å; L134-W146 HydrophobicContact CD2-CZ2 3.59Å; L134-W146 HydrophobicContact CG-CZ2 3.75Å; L134-P230 HydrophobicContact CD2-CB 3.94Å; L134-P230 HydrophobicContact CD2-CG 3.65Å; L134-Y238 HydrophobicContact CD2-CE2 3.89Å; L134-Y263 HydrophobicContact CD2-CD2 3.91Å; L134-Y263 HydrophobicContact CD2-CE2 4.38Å; L134-E264 VanDerWaalsContact O-CB 3.3Å; L134-E264 WeakPolarHBondContact O-CB 3.35Å; L134-E264 PolarHBondContact O-N 3.31Å
135	Y	92.7	Very high	92.3	Very high	46 Å²	46	74.7 Å²	74.7	18%	0.18	37%	0.374	C	S	.	.			trans	-134.1	137.4	-172.5	-70	-95.8	0	0	0	110.8	D131 Q138 P140 E264	D131-Y135 PolarHBondContact O-N 2.66Å; Y135-Q138 WeakPolarHBondContact CB-O 3.45Å; Y135-Q138 HydrophobicContact CD1-CG 3.78Å; Y135-Q138 HydrophobicContact CE1-CG 4.38Å; Y135-Q138 HydrophobicContact CG-CG 4.32Å; Y135-P140 HydrophobicContact CD2-CB 4.19Å; Y135-P140 HydrophobicContact CD2-CG 3.96Å; Y135-P140 HydrophobicContact CE2-CB 4.15Å; Y135-P140 HydrophobicContact CE2-CG 4.38Å; Y135-E264 VanDerWaalsContact CA-OE2 3.28Å; Y135-E264 WeakPolarHBondContact CA-OE2 3.48Å; Y135-E264 WeakPolarHBondContact CB-OE2 3.29Å; Y135-E264 HydrophobicContact CD1-CB 4.03Å; Y135-E264 HydrophobicContact CD1-CG 4.05Å; Y135-E264 HydrophobicContact CG-CB 4.41Å
136	F	89.4	Confident	92.6	Very high	78 Å²	78	71.2 Å²	71.2	34%	0.342	35%	0.348	S	S	.	.	S	Bend	trans	-99.1	-25	169.6	60.9	-98.4	0	0	0	112.2	S262 E264 A265 R496 R497	F136-S262 WeakPolarHBondContact CD1-OG 3.34Å; F136-E264 HydrophobicContact CD1-CB 4.02Å; F136-E264 HydrophobicContact CD1-CG 4.07Å; F136-E264 WeakPolarHBondContact CD1-OE2 3.17Å; F136-E264 HydrophobicContact CE1-CB 3.9Å; F136-E264 HydrophobicContact CE1-CG 3.6Å; F136-E264 HydrophobicContact CZ-CG 4.05Å; F136-E264 PolarHBondContact N-OE2 3.48Å; F136-A265 HydrophobicContact CE1-CB 4.37Å; F136-R496 HydrophobicContact CE1-CB 4.24Å; F136-R496 HydrophobicContact CE2-CB 4.37Å; F136-R496 HydrophobicContact CZ-CB 3.79Å; F136-R497 HydrophobicContact CB-CB 3.8Å; F136-R497 HydrophobicContact CD1-CB 4.5Å; F136-R497 HydrophobicContact CD2-CB 4.11Å; F136-R497 HydrophobicContact CG-CB 3.89Å
137	S	89.7	Confident	92.9	Very high	75 Å²	75	69 Å²	69	52%	0.524	34%	0.338	S	S	.	.	S	Bend	trans	-92	-30.1	-173.9	79.4	0	0	0	0	113.5	E264	S137-E264 WeakPolarHBondContact CB-OE1 3.45Å; S137-E264 PolarHBondContact N-OE2 2.87Å; S137-E264 VanDerWaalsContact OG-CD 3.29Å; S137-E264 PolarHBondContact OG-OE1 3.27Å; S137-E264 PolarHBondContact OG-OE2 3.44Å
138	Q	90.2	Very high	93	Very high	114 Å²	114	69.1 Å²	69.1	53%	0.533	34%	0.338	S	S	.	.	S	Bend	trans	-151.8	178.1	-172.1	64.5	180	19.5	0	0	112.1	Y135	Y135-Q138 WeakPolarHBondContact CB-O 3.45Å; Y135-Q138 HydrophobicContact CD1-CG 3.78Å; Y135-Q138 HydrophobicContact CE1-CG 4.38Å; Y135-Q138 HydrophobicContact CG-CG 4.32Å
139	R	88.9	Confident	93.1	Very high	206 Å²	206	67.3 Å²	67.3	78%	0.777	33%	0.326	S	S	*	.			trans	-84	151.4	168.7	-70.2	-170.6	-178.3	-168.2	-0.3	110.7
140	P	88.9	Confident	93.1	Very high	19 Å²	19	69.6 Å²	69.6	12%	0.123	33%	0.333	C	S	.	.			trans	-55.4	138.7	173.9	-21.9	30.7	0	0	0	111.5	D131 L134 Y135 K142 I144	D131-P140 HydrophobicContact CB-CG 4.26Å; L134-P140 HydrophobicContact CB-CG 4.32Å; L134-P140 HydrophobicContact CD1-CB 4.35Å; L134-P140 HydrophobicContact CD1-CG 3.64Å; Y135-P140 HydrophobicContact CD2-CB 4.19Å; Y135-P140 HydrophobicContact CD2-CG 3.96Å; Y135-P140 HydrophobicContact CE2-CB 4.15Å; Y135-P140 HydrophobicContact CE2-CG 4.38Å; P140-K142 PolarHBondContact O-N 3.4Å; P140-I144 HydrophobicContact CB-CG1 3.98Å
141	P	87.3	Confident	93.2	Very high	102 Å²	102	70.8 Å²	70.8	66%	0.662	34%	0.337	S	S	*	.	S	Bend	trans	-70.6	-20.9	-179.6	27.9	-34.6	0	0	0	112.9
142	K	88.9	Confident	93.2	Very high	73 Å²	73	69 Å²	69	32%	0.317	33%	0.327	S	S	.	.	S	Bend	trans	-115.7	157	179.9	-66	178.8	179.8	174.1	0	110.3	P140 I144 E172 Y232	P140-K142 PolarHBondContact O-N 3.4Å; K142-I144 VanDerWaalsContact C-N 3.33Å; K142-I144 HydrophobicContact CB-CD1 4.2Å; K142-I144 PolarHBondContact O-N 3.16Å; K142-E172 WeakPolarHBondContact CE-OE2 3.49Å; K142-E172 IonicContact NZ-OE1 3.44Å; K142-E172 PolarHBondContact NZ-OE1 2.86Å; K142-E172 IonicContact NZ-OE2 3.55Å; K142-E172 PolarHBondContact NZ-OE2 2.89Å; K142-Y232 HydrophobicContact CB-CD2 3.88Å; K142-Y232 HydrophobicContact CB-CE2 4.07Å; K142-Y232 HydrophobicContact CD-CD1 4.16Å; K142-Y232 HydrophobicContact CD-CD2 4.16Å; K142-Y232 HydrophobicContact CD-CE1 4.38Å; K142-Y232 HydrophobicContact CD-CE2 4.38Å; K142-Y232 HydrophobicContact CD-CG 4.05Å; K142-Y232 HydrophobicContact CG-CD2 4.42Å; K142-Y232 HydrophobicContact CG-CE2 4.39Å
143	Q	91.9	Very high	93.3	Very high	163 Å²	163	61.9 Å²	61.9	76%	0.762	30%	0.298	S	S	*	.			trans	-75.2	88.3	171.5	-170.6	176.4	17.7	0	0	109.7
144	I	95.1	Very high	93.1	Very high	30 Å²	30	67.5 Å²	67.5	15%	0.154	33%	0.334	C	S	.	.			trans	-74.1	134.3	-179.6	-58.1	-62.6	0	0	0	110.3	L134 P140 K142 P230 T231 V237	L134-I144 HydrophobicContact CD1-CB 3.95Å; L134-I144 HydrophobicContact CD1-CG1 3.96Å; L134-I144 HydrophobicContact CD1-CG2 3.86Å; P140-I144 HydrophobicContact CB-CG1 3.98Å; K142-I144 VanDerWaalsContact C-N 3.33Å; K142-I144 HydrophobicContact CB-CD1 4.2Å; K142-I144 PolarHBondContact O-N 3.16Å; I144-P230 HydrophobicContact CG2-CB 3.85Å; I144-T231 WeakPolarHBondContact CA-O 3.26Å; I144-V237 HydrophobicContact CD1-CG1 4.36Å; I144-V237 HydrophobicContact CD1-CG2 3.86Å
145	Q	96.4	Very high	93	Very high	99 Å²	99	73.2 Å²	73.2	46%	0.463	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	129.5	171	-67.4	-177.5	-24.3	0	0	109.3	L147 T231	Q145-L147 HydrophobicContact CB-CG 4.36Å; Q145-L147 PolarHBondContact O-N 3.16Å; Q145-T231 PolarHBondContact N-O 3.39Å; Q145-T231 WeakPolarHBondContact O-CA 3.29Å; Q145-T231 WeakPolarHBondContact O-CB 3.49Å; Q145-T231 PolarHBondContact O-N 3.5Å; Q145-T231 PolarHBondContact O-OG1 3.43Å
146	W	97.3	Very high	93.1	Very high	27 Å²	27	71.9 Å²	71.9	10%	0.102	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	105.3	176.2	-71.5	84.8	0	0	0	109.6	F127 P129 L134 R228 L229 P230 Y263	F127-W146 HydrophobicContact CE1-CH2 4.31Å; P129-W146 VanDerWaalsContact C-NE1 3.34Å; P129-W146 HydrophobicContact CB-CB 3.64Å; P129-W146 HydrophobicContact CB-CD2 3.59Å; P129-W146 HydrophobicContact CB-CE3 3.91Å; P129-W146 HydrophobicContact CB-CG 3.49Å; P129-W146 VanDerWaalsContact CB-CG 3.49Å; P129-W146 VanDerWaalsContact O-CD1 3.3Å; L134-W146 HydrophobicContact CD1-CZ2 4.35Å; L134-W146 HydrophobicContact CD2-CH2 4.12Å; L134-W146 HydrophobicContact CD2-CZ2 3.59Å; L134-W146 HydrophobicContact CG-CZ2 3.75Å; W146-R228 HydrophobicContact CB-CB 4.28Å; W146-R228 HydrophobicContact CE3-CB 4.18Å; W146-R228 VanDerWaalsContact CE3-O 3.29Å; W146-R228 WeakPolarHBondContact CZ3-O 3.39Å; W146-L229 WeakPolarHBondContact CA-O 3.33Å; W146-P230 HydrophobicContact CD2-CG 4.47Å; W146-P230 HydrophobicContact CE3-CG 4.14Å; W146-P230 HydrophobicContact CH2-CG 3.85Å; W146-P230 HydrophobicContact CZ2-CG 4.18Å; W146-P230 HydrophobicContact CZ3-CG 3.8Å; W146-Y263 AromaticContact CH2-CE2 4Å; W146-Y263 HydrophobicContact CH2-CE2 4Å
147	L	97.5	Very high	93.4	Very high	23 Å²	23	72.6 Å²	72.6	12%	0.12	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	144.2	-176.2	-63.6	-178.1	0	0	0	110.5	Q145 E151 I152 L229 T231 K234	Q145-L147 HydrophobicContact CB-CG 4.36Å; Q145-L147 PolarHBondContact O-N 3.16Å; L147-E151 WeakPolarHBondContact CA-OE2 3.22Å; L147-E151 HydrophobicContact CB-CB 4.19Å; L147-E151 HydrophobicContact CD2-CB 4.33Å; L147-I152 HydrophobicContact CB-CD1 4.18Å; L147-I152 HydrophobicContact CB-CG1 3.85Å; L147-I152 HydrophobicContact CD1-CG1 4.37Å; L147-L229 PolarHBondContact N-O 3.07Å; L147-L229 PolarHBondContact O-N 2.89Å; L147-T231 HydrophobicContact CB-CG2 4.06Å; L147-T231 HydrophobicContact CD1-CG2 4.3Å; L147-T231 WeakPolarHBondContact CD1-OG1 3.31Å; L147-T231 HydrophobicContact CG-CG2 4.39Å; L147-K234 HydrophobicContact CD1-CB 4.45Å; L147-K234 HydrophobicContact CD1-CG 4.06Å
148	R	97.6	Very high	93.6	Very high	8 Å²	8	69.4 Å²	69.4	3%	0.03	34%	0.343	C	S	.	.			trans	-81	157.9	171.7	-60.2	-174.7	-177.3	-98.4	3.9	110.4	F122 H150 E151 I152 D227 R228	F122-R148 PolarHBondContact O-NH1 3.42Å; F122-R148 PolarHBondContact O-NH2 2.86Å; R148-H150 WeakPolarHBondContact CB-CE1 3.35Å; R148-H150 VanDerWaalsContact CD-CE1 3.42Å; R148-H150 WeakPolarHBondContact CD-CE1 3.37Å; R148-H150 PolarHBondContact O-N 2.94Å; R148-H150 VanDerWaalsContact O-N 3.11Å; R148-E151 HydrophobicContact CB-CG 4.47Å; R148-E151 PolarHBondContact N-OE2 2.98Å; R148-E151 WeakPolarHBondContact O-CA 3.48Å; R148-E151 WeakPolarHBondContact O-CB 3.43Å; R148-E151 PolarHBondContact O-N 3.41Å; R148-I152 WeakPolarHBondContact O-CG1 3.4Å; R148-I152 PolarHBondContact O-N 3.02Å; R148-D227 WeakPolarHBondContact CD-OD1 3.29Å; R148-D227 WeakPolarHBondContact CG-OD1 3.37Å; R148-D227 IonicContact CZ-OD1 2.85Å; R148-D227 IonicContact NE-OD1 3.32Å; R148-D227 IonicContact NH1-OD1 3.64Å; R148-D227 PolarHBondContact NH1-OD1 2.9Å; R148-R228 HydrophobicContact CG-CG 3.75Å
149	P	96.9	Very high	93.7	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-53.5	-35.4	-177.3	-35.2	42.3	0	0	0	115	E151 I152 C153 P156 F202 D227 L229 F247	P149-E151 VanDerWaalsContact C-N 3.27Å; P149-E151 PolarHBondContact O-N 2.95Å; P149-I152 PolarHBondContact O-N 2.77Å; P149-C153 PolarHBondContact O-N 3.49Å; P149-P156 HydrophobicContact CB-CB 3.45Å; P149-P156 VanDerWaalsContact CB-CB 3.45Å; P149-P156 HydrophobicContact CB-CG 4.14Å; P149-F202 HydrophobicContact CB-CD1 4.42Å; P149-F202 HydrophobicContact CB-CE1 3.89Å; P149-F202 HydrophobicContact CB-CZ 3.99Å; P149-F202 HydrophobicContact CG-CD1 4.5Å; P149-F202 HydrophobicContact CG-CE1 3.56Å; P149-F202 HydrophobicContact CG-CZ 3.63Å; P149-D227 VanDerWaalsContact CD-O 3.26Å; P149-D227 WeakPolarHBondContact CD-O 3.22Å; P149-D227 WeakPolarHBondContact CD-OD2 3.32Å; P149-D227 HydrophobicContact CG-CB 4.38Å; P149-L229 HydrophobicContact CG-CD1 4.43Å; P149-F247 HydrophobicContact CB-CD1 4.02Å; P149-F247 HydrophobicContact CB-CD2 3.79Å; P149-F247 HydrophobicContact CB-CE1 3.98Å; P149-F247 HydrophobicContact CB-CE2 3.77Å; P149-F247 HydrophobicContact CB-CG 3.92Å; P149-F247 HydrophobicContact CB-CZ 3.87Å; P149-F247 HydrophobicContact CG-CB 4.34Å; P149-F247 HydrophobicContact CG-CD1 3.85Å; P149-F247 HydrophobicContact CG-CD2 4.26Å; P149-F247 HydrophobicContact CG-CE1 4.19Å; P149-F247 HydrophobicContact CG-CG 3.88Å
150	H	94.9	Very high	93.6	Very high	91 Å²	91	57.4 Å²	57.4	42%	0.421	30%	0.298	S	S	.	.	H	α-helix	trans	-71.5	-17.7	176.8	62.7	-93.5	0	0	0	114.2	R148 P156 Y206	R148-H150 WeakPolarHBondContact CB-CE1 3.35Å; R148-H150 VanDerWaalsContact CD-CE1 3.42Å; R148-H150 WeakPolarHBondContact CD-CE1 3.37Å; R148-H150 PolarHBondContact O-N 2.94Å; R148-H150 VanDerWaalsContact O-N 3.11Å; H150-P156 HydrophobicContact CB-CG 4.24Å; H150-Y206 PolarHBondContact CE1-OH 3.24Å; H150-Y206 PolarHBondContact ND1-OH 3.17Å
151	E	96	Very high	93.1	Very high	87 Å²	87	61.1 Å²	61.1	41%	0.407	34%	0.34	S	S	.	.	H	α-helix	trans	-87.3	-18.2	173.9	-56.7	177.8	101.6	0	0	111.6	L147 R148 P149	L147-E151 WeakPolarHBondContact CA-OE2 3.22Å; L147-E151 HydrophobicContact CB-CB 4.19Å; L147-E151 HydrophobicContact CD2-CB 4.33Å; R148-E151 HydrophobicContact CB-CG 4.47Å; R148-E151 PolarHBondContact N-OE2 2.98Å; R148-E151 WeakPolarHBondContact O-CA 3.48Å; R148-E151 WeakPolarHBondContact O-CB 3.43Å; R148-E151 PolarHBondContact O-N 3.41Å; P149-E151 VanDerWaalsContact C-N 3.27Å; P149-E151 PolarHBondContact O-N 2.95Å
152	I	95.4	Very high	92.9	Very high	38 Å²	38	58.1 Å²	58.1	20%	0.195	33%	0.328	C	S	.	.	H	α-helix	trans	-92.8	-47.8	-178.2	-60.4	169.7	0	0	0	110.4	L147 R148 P149 T231 L236 F247	L147-I152 HydrophobicContact CB-CD1 4.18Å; L147-I152 HydrophobicContact CB-CG1 3.85Å; L147-I152 HydrophobicContact CD1-CG1 4.37Å; R148-I152 WeakPolarHBondContact O-CG1 3.4Å; R148-I152 PolarHBondContact O-N 3.02Å; P149-I152 PolarHBondContact O-N 2.77Å; I152-T231 HydrophobicContact CD1-CG2 3.68Å; I152-T231 HydrophobicContact CG1-CG2 4.11Å; I152-L236 HydrophobicContact CD1-CD2 4.04Å; I152-F247 HydrophobicContact CB-CZ 4.46Å; I152-F247 HydrophobicContact CD1-CE1 4.17Å; I152-F247 HydrophobicContact CG2-CE1 4.47Å; I152-F247 HydrophobicContact CG2-CZ 4.35Å
153	C	93.3	Very high	92.7	Very high	17 Å²	17	56.2 Å²	56.2	12%	0.115	33%	0.326	C	S	.	.			trans	-137.4	155.6	-178.5	82.1	0	0	0	0	111.6	P149 F247	P149-C153 PolarHBondContact O-N 3.49Å; C153-F247 VanDerWaalsContact SG-CE2 3.57Å
154	P	91.1	Very high	92.5	Very high	121 Å²	121	50 Å²	50	79%	0.786	30%	0.3	S	S	*	.	S	Bend	trans	-72	-30.9	-173.7	25.8	-33.3	0	0	0	114.7
155	N	93.5	Very high	91.9	Very high	120 Å²	120	50.8 Å²	50.8	64%	0.642	30%	0.301	S	S	*	.	S	Bend	trans	-130.5	69.1	-174.8	-67.3	-25.6	0	0	0	110.6	E157 N245	N155-E157 PolarHBondContact O-N 3.37Å; N155-N245 WeakPolarHBondContact O-CB 3.41Å
156	P	95.3	Very high	91.3	Very high	18 Å²	18	48.6 Å²	48.6	12%	0.117	29%	0.29	C	S	.	.			trans	-65.5	132.7	-179.7	29.3	-35.5	0	0	0	110.7	P149 H150 F202 F247	P149-P156 HydrophobicContact CB-CB 3.45Å; P149-P156 VanDerWaalsContact CB-CB 3.45Å; P149-P156 HydrophobicContact CB-CG 4.14Å; H150-P156 HydrophobicContact CB-CG 4.24Å; P156-F202 HydrophobicContact CB-CB 4.47Å; P156-F202 HydrophobicContact CB-CD2 3.97Å; P156-F202 HydrophobicContact CB-CE2 4.33Å; P156-F202 HydrophobicContact CB-CG 4.08Å; P156-F202 HydrophobicContact CG-CB 4.11Å; P156-F202 HydrophobicContact CG-CG 4.16Å; P156-F202 WeakPolarHBondContact O-CB 3.36Å; P156-F202 WeakPolarHBondContact O-CD2 3.46Å; P156-F247 HydrophobicContact CB-CD2 4.01Å; P156-F247 HydrophobicContact CB-CE2 3.77Å
157	E	94.7	Very high	90.9	Very high	93 Å²	93	47.8 Å²	47.8	44%	0.435	29%	0.288	S	S	.	.	B	Isolated β-bridge	trans	-117.9	147	172.5	-67.2	-156.9	-171.2	0	0	109.7	N155 T160 F202 N245 E246 F247	N155-E157 PolarHBondContact O-N 3.37Å; E157-T160 HydrophobicContact CB-CG2 3.62Å; E157-T160 HydrophobicContact CG-CG2 4.19Å; E157-T160 WeakPolarHBondContact OE2-CG2 3.42Å; E157-F202 VanDerWaalsContact C-CD2 3.46Å; E157-F202 VanDerWaalsContact C-CE2 3.48Å; E157-F202 WeakPolarHBondContact O-CE2 3.46Å; E157-N245 PolarHBondContact N-O 2.86Å; E157-N245 VanDerWaalsContact O-O 3.13Å; E157-E246 WeakPolarHBondContact O-CA 3.47Å; E157-F247 PolarHBondContact O-N 3.47Å
158	F	94.7	Very high	90.5	Very high	9 Å²	9	46.7 Å²	46.7	4%	0.039	28%	0.282	C	S	.	.	S	Bend	trans	-72.7	-54.1	177.6	-174.8	-116.5	0	0	0	109.6	V196 Q200 F202 F210 F212 E246 F247 W248 L251	F158-V196 HydrophobicContact CE1-CG1 3.71Å; F158-V196 HydrophobicContact CZ-CG1 3.74Å; F158-Q200 HydrophobicContact CD1-CB 4.04Å; F158-Q200 HydrophobicContact CE1-CB 3.99Å; F158-Q200 HydrophobicContact CG-CB 4.37Å; F158-Q200 HydrophobicContact CZ-CB 4.27Å; F158-F202 HydrophobicContact CB-CD2 4.34Å; F158-F202 HydrophobicContact CB-CE2 4.12Å; F158-F202 HydrophobicContact CD2-CE2 4.46Å; F158-F210 AromaticContact CD2-CD1 3.82Å; F158-F210 HydrophobicContact CD2-CD1 3.82Å; F158-F210 AromaticContact CD2-CE1 3.56Å; F158-F210 HydrophobicContact CD2-CE1 3.56Å; F158-F210 AromaticContact CE2-CD1 3.63Å; F158-F210 HydrophobicContact CE2-CD1 3.63Å; F158-F210 AromaticContact CE2-CE1 3.89Å; F158-F210 HydrophobicContact CE2-CE1 3.89Å; F158-F210 HydrophobicContact CG-CE1 4.28Å; F158-F210 HydrophobicContact CZ-CD1 4.41Å; F158-F212 HydrophobicContact CE2-CZ 4.21Å; F158-F212 HydrophobicContact CZ-CE1 4.18Å; F158-F212 HydrophobicContact CZ-CZ 4.17Å; F158-E246 WeakPolarHBondContact O-CG 3.07Å; F158-F247 PolarHBondContact O-N 3.31Å; F158-W248 HydrophobicContact CD1-CB 4.41Å; F158-W248 HydrophobicContact CD2-CB 4.11Å; F158-W248 HydrophobicContact CE1-CB 4.16Å; F158-W248 HydrophobicContact CE2-CB 3.84Å; F158-W248 HydrophobicContact CG-CB 4.39Å; F158-W248 HydrophobicContact CZ-CB 3.86Å; F158-W248 VanDerWaalsContact O-CB 3.26Å; F158-W248 WeakPolarHBondContact O-CB 3.33Å; F158-W248 PolarHBondContact O-N 3.39Å; F158-L251 HydrophobicContact CD2-CD1 4.15Å; F158-L251 HydrophobicContact CE2-CD1 3.99Å
159	I	92.7	Very high	90.2	Very high	39 Å²	39	49.8 Å²	49.8	20%	0.2	29%	0.294	C	S	.	.	S	Bend	trans	-133.8	130.2	175.9	-63.7	168.3	0	0	0	108.1	G162 F192 V196 I198 E246 W248	I159-G162 VanDerWaalsContact CG2-C 3.46Å; I159-F192 HydrophobicContact CD1-CE1 3.73Å; I159-F192 HydrophobicContact CD1-CZ 3.81Å; I159-V196 HydrophobicContact CD1-CG1 4.48Å; I159-I198 HydrophobicContact CD1-CG2 4.27Å; I159-E246 WeakPolarHBondContact CA-OE1 3.29Å; I159-W248 HydrophobicContact CG1-CB 3.81Å; I159-W248 HydrophobicContact CG1-CG 3.76Å
160	T	85.5	Confident	89.9	Confident	28 Å²	28	50.9 Å²	50.9	17%	0.172	30%	0.299	C	S	.	.	S	Bend	trans	-108.5	114.2	178.5	51.2	0	0	0	0	110.1	E157 G162 E246	E157-T160 HydrophobicContact CB-CG2 3.62Å; E157-T160 HydrophobicContact CG-CG2 4.19Å; E157-T160 WeakPolarHBondContact OE2-CG2 3.42Å; T160-G162 PolarHBondContact O-N 2.87Å; T160-E246 HydrophobicContact CG2-CB 4.07Å; T160-E246 HydrophobicContact CG2-CG 4.46Å; T160-E246 PolarHBondContact N-OE1 3.43Å; T160-E246 VanDerWaalsContact OG1-CD 3.25Å; T160-E246 PolarHBondContact OG1-OE1 3.05Å
161	G	79.2	Confident	89.7	Confident	97 Å²	97	47.7 Å²	47.7	100%	1	29%	0.291	S	S	*	.	S	Bend	trans	73.5	6.1	175.1	0	0	0	0	0	115.8
162	G	84.3	Confident	89.4	Confident	40 Å²	40	49 Å²	49	41%	0.412	30%	0.297	S	S	.	.	S	Bend	trans	100.9	155.4	-178	0	0	0	0	0	111.6	I159 T160 S164	I159-G162 VanDerWaalsContact CG2-C 3.46Å; T160-G162 PolarHBondContact O-N 2.87Å; G162-S164 PolarHBondContact O-N 3.38Å
163	A	83.3	Confident	89.1	Confident	32 Å²	32	47.6 Å²	47.6	26%	0.264	29%	0.29	S	S	.	.			trans	-65.5	131.3	-179.2	0	0	0	0	0	111	F192 W248	A163-F192 HydrophobicContact CB-CD1 3.88Å; A163-F192 HydrophobicContact CB-CD2 3.76Å; A163-F192 HydrophobicContact CB-CE1 3.57Å; A163-F192 HydrophobicContact CB-CE2 3.42Å; A163-F192 VanDerWaalsContact CB-CE2 3.42Å; A163-F192 HydrophobicContact CB-CG 3.97Å; A163-F192 HydrophobicContact CB-CZ 3.33Å; A163-W248 HydrophobicContact CB-CZ2 4.38Å
164	S	87.1	Confident	88.9	Confident	33 Å²	33	48 Å²	48	23%	0.231	30%	0.297	C	S	.	.			trans	-133.7	150.1	-178.8	175.4	0	0	0	0	110.8	G162 F166 D167	G162-S164 PolarHBondContact O-N 3.38Å; S164-F166 PolarHBondContact O-N 2.85Å; S164-F166 VanDerWaalsContact O-N 3.16Å; S164-F166 WeakPolarHBondContact OG-CD2 3.41Å; S164-F166 PolarHBondContact OG-N 3.46Å; S164-D167 WeakPolarHBondContact CB-OD1 3.48Å; S164-D167 PolarHBondContact N-OD2 2.93Å; S164-D167 WeakPolarHBondContact O-CB 3.36Å; S164-D167 PolarHBondContact O-N 3.28Å; S164-D167 VanDerWaalsContact O-N 3.08Å
165	R	83.1	Confident	88.9	Confident	47 Å²	47	42.2 Å²	42.2	18%	0.177	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-61.4	-22.9	173.3	64.8	-164.6	-177.8	-69.4	-4.2	112.1	D167 V168 A183 S186 R360 E400	R165-D167 VanDerWaalsContact C-N 3.25Å; R165-D167 PolarHBondContact O-N 3.39Å; R165-V168 WeakPolarHBondContact O-CB 3.43Å; R165-V168 PolarHBondContact O-N 3.29Å; R165-A183 HydrophobicContact CB-CB 4.22Å; R165-S186 WeakPolarHBondContact CA-OG 3.34Å; R165-S186 WeakPolarHBondContact CB-OG 3.34Å; R165-S186 PolarHBondContact N-OG 3.26Å; R165-R360 PolarHBondContact O-NH1 3.21Å; R165-R360 PolarHBondContact O-NH2 3.14Å; R165-E400 IonicContact CZ-OE1 3.86Å; R165-E400 IonicContact CZ-OE2 3.67Å; R165-E400 IonicContact NE-OE1 3.65Å; R165-E400 PolarHBondContact NE-OE1 2.53Å; R165-E400 IonicContact NE-OE2 2.68Å; R165-E400 IonicContact NH2-OE1 3.46Å; R165-E400 PolarHBondContact NH2-OE1 3.08Å; R165-E400 IonicContact NH2-OE2 3.5Å; R165-E400 PolarHBondContact NH2-OE2 3.07Å
166	F	84.7	Confident	88.8	Confident	52 Å²	52	37.1 Å²	37.1	23%	0.228	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-77.3	-7.4	177.8	-55.9	-58.5	0	0	0	114.3	S164 V168 T242 D398	S164-F166 PolarHBondContact O-N 2.85Å; S164-F166 VanDerWaalsContact O-N 3.16Å; S164-F166 WeakPolarHBondContact OG-CD2 3.41Å; S164-F166 PolarHBondContact OG-N 3.46Å; F166-V168 PolarHBondContact O-N 2.87Å; F166-T242 PolarHBondContact O-OG1 2.79Å; F166-D398 HydrophobicContact CD1-CB 4.02Å; F166-D398 HydrophobicContact CE1-CB 3.63Å; F166-D398 WeakPolarHBondContact CE1-OD2 3.45Å; F166-D398 HydrophobicContact CZ-CB 4.42Å; F166-D398 WeakPolarHBondContact CZ-OD2 3.29Å
167	D	87.2	Confident	88.7	Confident	10 Å²	10	36.4 Å²	36.4	5%	0.053	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-81.7	-1.3	174.3	-44.4	-16.7	0	0	0	111.7	S164 R165 H240 S241 E246 W248 S249	S164-D167 WeakPolarHBondContact CB-OD1 3.48Å; S164-D167 PolarHBondContact N-OD2 2.93Å; S164-D167 WeakPolarHBondContact O-CB 3.36Å; S164-D167 PolarHBondContact O-N 3.28Å; S164-D167 VanDerWaalsContact O-N 3.08Å; R165-D167 VanDerWaalsContact C-N 3.25Å; R165-D167 PolarHBondContact O-N 3.39Å; D167-H240 CarbonylContact O-C 3.53Å; D167-S241 WeakPolarHBondContact CA-OG 3.4Å; D167-S241 WeakPolarHBondContact O-CA 3.48Å; D167-E246 VanDerWaalsContact CB-OE2 3.28Å; D167-E246 WeakPolarHBondContact CB-OE2 3.4Å; D167-W248 HydrophobicContact CB-CZ2 3.77Å; D167-W248 PolarHBondContact OD2-NE1 3.21Å; D167-S249 WeakPolarHBondContact O-CB 3.14Å; D167-S249 PolarHBondContact O-OG 3.36Å
168	V	90.2	Very high	88.7	Confident	0 Å²	0	32 Å²	32	0%	0	21%	0.207	C	C	.	.			trans	-115.4	90.7	-174.3	-175.6	0	0	0	0	108.1	R165 F166 L179 I182 A183 I239 W248 R360	R165-V168 WeakPolarHBondContact O-CB 3.43Å; R165-V168 PolarHBondContact O-N 3.29Å; F166-V168 PolarHBondContact O-N 2.87Å; V168-L179 HydrophobicContact CG1-CB 3.82Å; V168-L179 HydrophobicContact CG1-CD2 4.2Å; V168-L179 HydrophobicContact CG1-CG 3.96Å; V168-L179 WeakPolarHBondContact CG1-O 3.29Å; V168-I182 HydrophobicContact CG1-CB 4.27Å; V168-I182 HydrophobicContact CG1-CG2 4.36Å; V168-I182 HydrophobicContact CG2-CB 4.28Å; V168-I182 HydrophobicContact CG2-CG2 3.58Å; V168-A183 HydrophobicContact CB-CB 4.45Å; V168-A183 HydrophobicContact CG1-CB 4.36Å; V168-I239 HydrophobicContact CB-CD1 4.37Å; V168-I239 HydrophobicContact CG1-CD1 3.77Å; V168-I239 HydrophobicContact CG1-CG1 4.47Å; V168-W248 HydrophobicContact CG2-CH2 4.16Å; V168-W248 HydrophobicContact CG2-CZ2 4.42Å; V168-R360 PolarHBondContact O-NH1 3.45Å; V168-R360 PolarHBondContact O-NH2 2.93Å
169	R	91	Very high	88.7	Confident	73 Å²	73	31.6 Å²	31.6	28%	0.275	21%	0.205	S	C	.	.	B	Isolated β-bridge	trans	-117.3	130.9	171	-60.4	-171.9	66	178.3	3.9	111	I239 H240 T242 P362 W363 G364	R169-I239 WeakPolarHBondContact O-CA 3.48Å; R169-H240 WeakPolarHBondContact CB-O 3.36Å; R169-H240 PolarHBondContact N-O 3.45Å; R169-H240 PolarHBondContact O-N 3.14Å; R169-T242 WeakPolarHBondContact CD-OG1 3.29Å; R169-P362 WeakPolarHBondContact CA-O 3.4Å; R169-W363 PolarHBondContact NE-O 3.33Å; R169-G364 VanDerWaalsContact CZ-O 3.27Å; R169-G364 PolarHBondContact NE-O 2.93Å; R169-G364 PolarHBondContact NH2-O 3.09Å
170	Q	90.4	Very high	88.7	Confident	24 Å²	24	29.7 Å²	29.7	11%	0.112	20%	0.196	C	C	.	.			trans	-65.8	134.5	-179.8	-161.4	172.7	-23.1	0	0	112.3	L173 C176 L179 H333 P362 W363	Q170-L173 PolarHBondContact NE2-O 3.01Å; Q170-C176 VanDerWaalsContact OE1-CB 3.25Å; Q170-L179 HydrophobicContact CB-CD2 3.51Å; Q170-L179 HydrophobicContact CG-CD2 3.82Å; Q170-H333 PolarHBondContact OE1-CE1 2.84Å; Q170-P362 PolarHBondContact N-O 3.28Å; Q170-W363 VanDerWaalsContact OE1-CD1 3.28Å
171	G	91.1	Very high	89.2	Confident	24 Å²	24	28.4 Å²	28.4	25%	0.247	19%	0.188	C	C	.	.			trans	-92.7	-143.8	168.2	0	0	0	0	0	111.8	L173 V237 Y238	G171-L173 VanDerWaalsContact C-N 3.3Å; G171-L173 PolarHBondContact O-N 3.07Å; G171-V237 WeakPolarHBondContact CA-O 3.48Å; G171-Y238 WeakPolarHBondContact CA-O 3.38Å
172	E	89.7	Confident	89.9	Confident	114 Å²	114	23.8 Å²	23.8	53%	0.533	14%	0.14	S	C	.	.	S	Bend	trans	-84.8	0.3	-175.3	-60.6	-177.5	-163	0	0	114.1	K142 V237	K142-E172 WeakPolarHBondContact CE-OE2 3.49Å; K142-E172 IonicContact NZ-OE1 3.44Å; K142-E172 PolarHBondContact NZ-OE1 2.86Å; K142-E172 IonicContact NZ-OE2 3.55Å; K142-E172 PolarHBondContact NZ-OE2 2.89Å; E172-V237 HydrophobicContact CB-CG1 4.17Å; E172-V237 HydrophobicContact CG-CG1 4.3Å; E172-V237 PolarHBondContact N-O 3.21Å
173	L	88.9	Confident	90.3	Very high	9 Å²	9	21.9 Å²	21.9	5%	0.047	12%	0.121	C	C	.	.	S	Bend	trans	-90.9	140.4	-179.5	-171.2	57.6	0	0	0	110.9	Q170 G171 D175 Y238 Y263 L266	Q170-L173 PolarHBondContact NE2-O 3.01Å; G171-L173 VanDerWaalsContact C-N 3.3Å; G171-L173 PolarHBondContact O-N 3.07Å; L173-D175 WeakPolarHBondContact CB-OD1 3.47Å; L173-D175 HydrophobicContact CD2-CB 4.19Å; L173-D175 WeakPolarHBondContact CD2-OD2 3.12Å; L173-D175 HydrophobicContact CG-CB 4Å; L173-D175 PolarHBondContact O-N 3.24Å; L173-D175 VanDerWaalsContact O-N 3.07Å; L173-D175 VanDerWaalsContact O-OD1 3.13Å; L173-Y238 HydrophobicContact CB-CD1 3.62Å; L173-Y238 HydrophobicContact CB-CE1 3.93Å; L173-Y238 HydrophobicContact CB-CG 4.46Å; L173-Y238 HydrophobicContact CD2-CD1 4.34Å; L173-Y238 HydrophobicContact CD2-CE1 4.43Å; L173-Y263 HydrophobicContact CD2-CD1 4.01Å; L173-L266 HydrophobicContact CD2-CB 4.22Å; L173-L266 HydrophobicContact CD2-CD1 4.46Å
174	G	88.3	Confident	90.7	Very high	25 Å²	25	20.4 Å²	20.4	26%	0.258	11%	0.108	S	C	.	.	S	Bend	trans	-83.7	51.6	178	0	0	0	0	0	112.4	G268	G174-G268 PolarHBondContact O-N 2.98Å
175	D	91.2	Very high	90.9	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.097	C	C	.	.			trans	-116.7	29	-177	65	-24.5	0	0	0	112.3	L173 W177 L178 L179 L266	L173-D175 WeakPolarHBondContact CB-OD1 3.47Å; L173-D175 HydrophobicContact CD2-CB 4.19Å; L173-D175 WeakPolarHBondContact CD2-OD2 3.12Å; L173-D175 HydrophobicContact CG-CB 4Å; L173-D175 PolarHBondContact O-N 3.24Å; L173-D175 VanDerWaalsContact O-N 3.07Å; L173-D175 VanDerWaalsContact O-OD1 3.13Å; D175-W177 PolarHBondContact O-N 3.46Å; D175-L178 HydrophobicContact CB-CB 4.39Å; D175-L178 WeakPolarHBondContact O-CA 3.29Å; D175-L178 WeakPolarHBondContact O-CB 3.48Å; D175-L178 PolarHBondContact O-N 3.04Å; D175-L179 HydrophobicContact CB-CD1 4.44Å; D175-L179 VanDerWaalsContact O-CD1 3.28Å; D175-L179 WeakPolarHBondContact O-CD1 3.42Å; D175-L179 PolarHBondContact O-N 3.03Å; D175-L179 WeakPolarHBondContact OD1-CD1 3.48Å; D175-L266 HydrophobicContact CB-CB 3.99Å; D175-L266 WeakPolarHBondContact CB-O 3.35Å
176	C	91.6	Very high	91.3	Very high	13 Å²	13	17 Å²	17	9%	0.088	9%	0.092	C	C	.	.	H	α-helix	trans	-46.4	-34.3	176.1	57.7	0	0	0	0	114.5	Q170 L178 L179 A180 H333 A334 P362	Q170-C176 VanDerWaalsContact OE1-CB 3.25Å; C176-L178 VanDerWaalsContact C-N 3.34Å; C176-L178 PolarHBondContact O-N 3.23Å; C176-L179 PolarHBondContact O-N 3.16Å; C176-A180 WeakPolarHBondContact O-CB 3.4Å; C176-A180 PolarHBondContact O-N 3.18Å; C176-H333 WeakPolarHBondContact CB-CE1 2.95Å; C176-H333 WeakPolarHBondContact CB-ND1 3.25Å; C176-H333 PolarHBondContact SG-ND1 2.8Å; C176-A334 HydrophobicContact CB-CB 4.5Å; C176-P362 HydrophobicContact CB-CG 4.29Å
177	W	93.7	Very high	91.4	Very high	3 Å²	3	18.1 Å²	18.1	1%	0.011	10%	0.099	C	C	.	.	H	α-helix	trans	-59.2	-40.9	174.6	69.3	-84.3	0	0	0	112.8	D175 A181 Y256 L266 G269 T271 E273 A274 A334 R493	D175-W177 PolarHBondContact O-N 3.46Å; W177-A181 PolarHBondContact O-N 3.42Å; W177-Y256 AromaticContact CH2-CE1 3.73Å; W177-Y256 HydrophobicContact CH2-CE1 3.73Å; W177-Y256 HydrophobicContact CZ2-CE1 4.39Å; W177-Y256 HydrophobicContact CZ3-CE1 4.47Å; W177-L266 PolarHBondContact NE1-O 3.08Å; W177-G269 WeakPolarHBondContact CB-O 3.27Å; W177-T271 WeakPolarHBondContact O-CG2 3.26Å; W177-E273 HydrophobicContact CE3-CB 4.24Å; W177-E273 HydrophobicContact CH2-CB 4.32Å; W177-E273 HydrophobicContact CZ3-CB 3.62Å; W177-A274 HydrophobicContact CE3-CB 3.88Å; W177-A274 HydrophobicContact CZ3-CB 3.56Å; W177-A334 HydrophobicContact CB-CB 4.32Å; W177-R493 VanDerWaalsContact CZ2-CZ 3.41Å
178	L	95.1	Very high	91.3	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-69.5	-44.2	176	175.9	63	0	0	0	109.9	D175 C176 A180 A181 I182 E253 Y256 L266 A274 F278	D175-L178 HydrophobicContact CB-CB 4.39Å; D175-L178 WeakPolarHBondContact O-CA 3.29Å; D175-L178 WeakPolarHBondContact O-CB 3.48Å; D175-L178 PolarHBondContact O-N 3.04Å; C176-L178 VanDerWaalsContact C-N 3.34Å; C176-L178 PolarHBondContact O-N 3.23Å; L178-A180 PolarHBondContact O-N 3.24Å; L178-A181 WeakPolarHBondContact O-CA 3.44Å; L178-A181 WeakPolarHBondContact O-CB 3.5Å; L178-A181 PolarHBondContact O-N 3.19Å; L178-A181 VanDerWaalsContact O-N 3.11Å; L178-I182 HydrophobicContact CD1-CD1 4.24Å; L178-I182 HydrophobicContact CD1-CG1 4.34Å; L178-I182 HydrophobicContact CD2-CD1 4.48Å; L178-I182 HydrophobicContact CG-CD1 3.9Å; L178-I182 HydrophobicContact CG-CG1 4.4Å; L178-I182 WeakPolarHBondContact O-CG1 3.4Å; L178-I182 PolarHBondContact O-N 3.48Å; L178-E253 HydrophobicContact CD2-CG 4.3Å; L178-Y256 HydrophobicContact CD1-CD1 3.7Å; L178-Y256 HydrophobicContact CD1-CE1 3.77Å; L178-Y256 HydrophobicContact CD1-CG 4.11Å; L178-Y256 HydrophobicContact CD2-CD1 3.64Å; L178-Y256 HydrophobicContact CD2-CE1 4.24Å; L178-Y256 HydrophobicContact CD2-CG 4.33Å; L178-Y256 HydrophobicContact CG-CD1 4.32Å; L178-L266 HydrophobicContact CD2-CD1 3.84Å; L178-A274 HydrophobicContact CD1-CB 3.66Å; L178-F278 HydrophobicContact CD1-CE1 4.48Å; L178-F278 HydrophobicContact CD1-CE2 4.25Å; L178-F278 HydrophobicContact CD1-CZ 3.6Å
179	L	94.3	Very high	91	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-64.9	-40.4	-179.5	-81.5	76.9	0	0	0	112.3	V168 Q170 D175 C176 A181 I182 A183 I239 P362	V168-L179 HydrophobicContact CG1-CB 3.82Å; V168-L179 HydrophobicContact CG1-CD2 4.2Å; V168-L179 HydrophobicContact CG1-CG 3.96Å; V168-L179 WeakPolarHBondContact CG1-O 3.29Å; Q170-L179 HydrophobicContact CB-CD2 3.51Å; Q170-L179 HydrophobicContact CG-CD2 3.82Å; D175-L179 HydrophobicContact CB-CD1 4.44Å; D175-L179 VanDerWaalsContact O-CD1 3.28Å; D175-L179 WeakPolarHBondContact O-CD1 3.42Å; D175-L179 PolarHBondContact O-N 3.03Å; D175-L179 WeakPolarHBondContact OD1-CD1 3.48Å; C176-L179 PolarHBondContact O-N 3.16Å; L179-A181 PolarHBondContact O-N 2.94Å; L179-I182 PolarHBondContact O-N 3.44Å; L179-A183 WeakPolarHBondContact O-CB 3.34Å; L179-A183 PolarHBondContact O-N 3.19Å; L179-I239 HydrophobicContact CD2-CB 4.44Å; L179-I239 HydrophobicContact CD2-CD1 4.19Å; L179-I239 HydrophobicContact CD2-CG1 3.97Å; L179-I239 HydrophobicContact CG-CD1 3.91Å; L179-I239 HydrophobicContact CG-CG1 4.22Å; L179-P362 HydrophobicContact CB-CB 3.8Å
180	A	93.4	Very high	90.7	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-58.4	-39.5	173.4	0	0	0	0	0	111.1	C176 L178 C184 T271 A334 S336	C176-A180 WeakPolarHBondContact O-CB 3.4Å; C176-A180 PolarHBondContact O-N 3.18Å; L178-A180 PolarHBondContact O-N 3.24Å; A180-C184 PolarHBondContact O-N 3.13Å; A180-C184 PolarHBondContact O-SG 3.44Å; A180-T271 HydrophobicContact CB-CG2 3.9Å; A180-A334 HydrophobicContact CB-CB 3.95Å; A180-S336 VanDerWaalsContact CA-OG 3.25Å; A180-S336 WeakPolarHBondContact CA-OG 3.48Å; A180-S336 PolarHBondContact O-OG 3.47Å
181	A	94.6	Very high	90.4	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-69.3	-41.4	174.9	0	0	0	0	0	113	W177 L178 L179 A183 C184 L185 T271 A274 L275 F278	W177-A181 PolarHBondContact O-N 3.42Å; L178-A181 WeakPolarHBondContact O-CA 3.44Å; L178-A181 WeakPolarHBondContact O-CB 3.5Å; L178-A181 PolarHBondContact O-N 3.19Å; L178-A181 VanDerWaalsContact O-N 3.11Å; L179-A181 PolarHBondContact O-N 2.94Å; A181-A183 VanDerWaalsContact C-N 3.32Å; A181-A183 PolarHBondContact O-N 3.3Å; A181-C184 WeakPolarHBondContact O-CB 3.49Å; A181-C184 PolarHBondContact O-N 3.3Å; A181-L185 WeakPolarHBondContact O-CB 3.03Å; A181-L185 PolarHBondContact O-N 2.76Å; A181-T271 HydrophobicContact CB-CG2 3.97Å; A181-A274 HydrophobicContact CB-CB 3.33Å; A181-L275 HydrophobicContact CB-CD2 3.71Å; A181-L275 HydrophobicContact CB-CG 3.99Å; A181-F278 HydrophobicContact CB-CD2 4.05Å; A181-F278 HydrophobicContact CB-CE2 3.73Å
182	I	95.5	Very high	90.4	Very high	1 Å²	1	28 Å²	28	1%	0.005	14%	0.138	C	C	.	.	H	α-helix	trans	-63.8	-40.4	176.9	-63.9	169.7	0	0	0	110.3	V168 L178 L179 C184 L185 S186 I239 W248 L252 F278	V168-I182 HydrophobicContact CG1-CB 4.27Å; V168-I182 HydrophobicContact CG1-CG2 4.36Å; V168-I182 HydrophobicContact CG2-CB 4.28Å; V168-I182 HydrophobicContact CG2-CG2 3.58Å; L178-I182 HydrophobicContact CD1-CD1 4.24Å; L178-I182 HydrophobicContact CD1-CG1 4.34Å; L178-I182 HydrophobicContact CD2-CD1 4.48Å; L178-I182 HydrophobicContact CG-CD1 3.9Å; L178-I182 HydrophobicContact CG-CG1 4.4Å; L178-I182 WeakPolarHBondContact O-CG1 3.4Å; L178-I182 PolarHBondContact O-N 3.48Å; L179-I182 PolarHBondContact O-N 3.44Å; I182-C184 VanDerWaalsContact C-N 3.34Å; I182-C184 PolarHBondContact O-N 2.83Å; I182-L185 WeakPolarHBondContact O-CB 3.37Å; I182-L185 PolarHBondContact O-N 2.87Å; I182-S186 PolarHBondContact O-N 2.86Å; I182-I239 HydrophobicContact CD1-CD1 4.05Å; I182-W248 HydrophobicContact CG2-CH2 3.59Å; I182-W248 HydrophobicContact CG2-CZ3 3.68Å; I182-L252 HydrophobicContact CD1-CD2 4.04Å; I182-L252 HydrophobicContact CG1-CD2 3.91Å; I182-L252 HydrophobicContact CG2-CD2 3.9Å; I182-F278 HydrophobicContact CB-CE2 4.48Å; I182-F278 HydrophobicContact CG1-CE2 3.67Å; I182-F278 HydrophobicContact CG1-CZ 3.68Å
183	A	92.5	Very high	90.4	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-61.4	-43.1	174	0	0	0	0	0	111.2	R165 V168 L179 A181 S186 M187	R165-A183 HydrophobicContact CB-CB 4.22Å; V168-A183 HydrophobicContact CB-CB 4.45Å; V168-A183 HydrophobicContact CG1-CB 4.36Å; L179-A183 WeakPolarHBondContact O-CB 3.34Å; L179-A183 PolarHBondContact O-N 3.19Å; A181-A183 VanDerWaalsContact C-N 3.32Å; A181-A183 PolarHBondContact O-N 3.3Å; A183-S186 PolarHBondContact O-N 2.82Å; A183-S186 PolarHBondContact O-OG 2.93Å; A183-M187 WeakPolarHBondContact O-CG 3.29Å
184	C	91.5	Very high	90.3	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-60.9	-45.1	173.1	-70.6	0	0	0	0	112.5	A180 A181 I182 S186 M187 L275 L309 M310 S336	A180-C184 PolarHBondContact O-N 3.13Å; A180-C184 PolarHBondContact O-SG 3.44Å; A181-C184 WeakPolarHBondContact O-CB 3.49Å; A181-C184 PolarHBondContact O-N 3.3Å; I182-C184 VanDerWaalsContact C-N 3.34Å; I182-C184 PolarHBondContact O-N 2.83Å; C184-S186 VanDerWaalsContact C-N 3.33Å; C184-S186 PolarHBondContact O-N 3.24Å; C184-M187 HydrophobicContact CB-CE 4.35Å; C184-M187 WeakPolarHBondContact O-CB 2.99Å; C184-M187 PolarHBondContact O-N 3.26Å; C184-L275 HydrophobicContact CB-CD2 4Å; C184-L309 HydrophobicContact CB-CB 4.2Å; C184-L309 HydrophobicContact CB-CD1 4.41Å; C184-L309 HydrophobicContact CB-CD2 4.22Å; C184-M310 PolarHBondContact SG-O 3.19Å; C184-S336 VanDerWaalsContact SG-CB 3.54Å
185	L	90.8	Very high	90.4	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-58.4	-43.2	179	178.2	64.7	0	0	0	112.1	A181 I182 M187 D188 L191 F192 V195 F278	A181-L185 WeakPolarHBondContact O-CB 3.03Å; A181-L185 PolarHBondContact O-N 2.76Å; I182-L185 WeakPolarHBondContact O-CB 3.37Å; I182-L185 PolarHBondContact O-N 2.87Å; L185-M187 PolarHBondContact O-N 3.29Å; L185-M187 VanDerWaalsContact O-N 3.11Å; L185-D188 PolarHBondContact O-N 2.91Å; L185-L191 HydrophobicContact CD1-CB 3.71Å; L185-F192 HydrophobicContact CG-CD2 4.38Å; L185-V195 HydrophobicContact CD1-CG2 4.1Å; L185-V195 HydrophobicContact CD2-CB 3.89Å; L185-V195 HydrophobicContact CD2-CG1 3.89Å; L185-V195 HydrophobicContact CD2-CG2 3.98Å; L185-F278 HydrophobicContact CB-CD2 4.23Å; L185-F278 HydrophobicContact CD1-CB 4.23Å; L185-F278 HydrophobicContact CD2-CB 4.26Å; L185-F278 HydrophobicContact CD2-CD1 4.44Å; L185-F278 HydrophobicContact CD2-CD2 3.97Å; L185-F278 HydrophobicContact CD2-CE2 4.42Å; L185-F278 HydrophobicContact CD2-CG 3.97Å
186	S	90.8	Very high	90.6	Very high	10 Å²	10	26.7 Å²	26.7	7%	0.07	13%	0.125	C	C	.	.	H	α-helix	trans	-62	-19.3	-179.2	72.2	0	0	0	0	114.3	R165 I182 A183 C184	R165-S186 WeakPolarHBondContact CA-OG 3.34Å; R165-S186 WeakPolarHBondContact CB-OG 3.34Å; R165-S186 PolarHBondContact N-OG 3.26Å; I182-S186 PolarHBondContact O-N 2.86Å; A183-S186 PolarHBondContact O-N 2.82Å; A183-S186 PolarHBondContact O-OG 2.93Å; C184-S186 VanDerWaalsContact C-N 3.33Å; C184-S186 PolarHBondContact O-N 3.24Å
187	M	86.5	Confident	90.5	Very high	75 Å²	75	26.5 Å²	26.5	37%	0.369	12%	0.124	S	C	.	.	H	α-helix	trans	-81.1	-23	179.8	-58.4	-170.4	-67.3	0	0	113.2	A183 C184 L185 T338	A183-M187 WeakPolarHBondContact O-CG 3.29Å; C184-M187 HydrophobicContact CB-CE 4.35Å; C184-M187 WeakPolarHBondContact O-CB 2.99Å; C184-M187 PolarHBondContact O-N 3.26Å; L185-M187 PolarHBondContact O-N 3.29Å; L185-M187 VanDerWaalsContact O-N 3.11Å; M187-T338 HydrophobicContact CE-CG2 4.02Å; M187-T338 WeakPolarHBondContact SD-CB 3.42Å; M187-T338 HydrophobicContact SD-CG2 3.62Å
188	D	85.2	Confident	90.3	Very high	30 Å²	30	30.8 Å²	30.8	16%	0.16	15%	0.147	C	C	.	.			trans	-106.3	104.6	175.1	-169.4	-55.9	0	0	0	109.8	L185 K190 L191 F192 S307	L185-D188 PolarHBondContact O-N 2.91Å; D188-K190 VanDerWaalsContact C-N 3.25Å; D188-K190 PolarHBondContact O-N 2.96Å; D188-K190 WeakPolarHBondContact OD1-CB 3.32Å; D188-K190 PolarHBondContact OD1-N 3.41Å; D188-L191 HydrophobicContact CB-CB 4.13Å; D188-L191 HydrophobicContact CB-CD1 3.85Å; D188-L191 HydrophobicContact CB-CG 4.11Å; D188-L191 PolarHBondContact O-N 3.3Å; D188-L191 PolarHBondContact OD1-N 3.18Å; D188-L191 VanDerWaalsContact OD1-N 3.1Å; D188-F192 VanDerWaalsContact O-CB 3.28Å; D188-F192 WeakPolarHBondContact O-CB 3.46Å; D188-F192 PolarHBondContact O-N 3.48Å; D188-S307 PolarHBondContact OD2-OG 3.46Å
189	K	85.7	Confident	90	Very high	147 Å²	147	35.2 Å²	35.2	64%	0.639	17%	0.17	S	C	*	.	H	α-helix	trans	-56.6	-36.8	-177.4	-178.3	175	175.1	177.6	0	113.2	E193	K189-E193 WeakPolarHBondContact CE-OE1 3.47Å; K189-E193 IonicContact NZ-OE1 3.85Å; K189-E193 WeakPolarHBondContact O-CB 3.46Å; K189-E193 VanDerWaalsContact O-CG 3.3Å; K189-E193 WeakPolarHBondContact O-CG 3.42Å; K189-E193 PolarHBondContact O-N 3.22Å
190	K	83.5	Confident	89.9	Confident	140 Å²	140	35.8 Å²	35.8	61%	0.609	17%	0.173	S	C	*	.	H	α-helix	trans	-72.9	-44.4	-176.4	-69	-179.6	179.7	177.4	0	110.8	D188 F192 E193 Q194	D188-K190 VanDerWaalsContact C-N 3.25Å; D188-K190 PolarHBondContact O-N 2.96Å; D188-K190 WeakPolarHBondContact OD1-CB 3.32Å; D188-K190 PolarHBondContact OD1-N 3.41Å; K190-F192 VanDerWaalsContact C-N 3.33Å; K190-E193 PolarHBondContact O-N 2.95Å; K190-Q194 PolarHBondContact O-N 2.8Å
191	L	85.1	Confident	89.8	Confident	14 Å²	14	38.1 Å²	38.1	7%	0.073	19%	0.185	C	C	.	.	H	α-helix	trans	-65.8	-40.5	175.3	-64.2	175.8	0	0	0	111.2	L185 D188 E193 Q194 V195 T279 L309 L420	L185-L191 HydrophobicContact CD1-CB 3.71Å; D188-L191 HydrophobicContact CB-CB 4.13Å; D188-L191 HydrophobicContact CB-CD1 3.85Å; D188-L191 HydrophobicContact CB-CG 4.11Å; D188-L191 PolarHBondContact O-N 3.3Å; D188-L191 PolarHBondContact OD1-N 3.18Å; D188-L191 VanDerWaalsContact OD1-N 3.1Å; L191-E193 PolarHBondContact O-N 2.65Å; L191-Q194 WeakPolarHBondContact O-CB 3.29Å; L191-Q194 PolarHBondContact O-N 3.08Å; L191-Q194 VanDerWaalsContact O-N 3.13Å; L191-V195 PolarHBondContact O-N 3.03Å; L191-T279 HydrophobicContact CD1-CG2 4.21Å; L191-T279 HydrophobicContact CD2-CG2 4.46Å; L191-L309 HydrophobicContact CD1-CD1 4.24Å; L191-L309 HydrophobicContact CD1-CD2 4.28Å; L191-L309 HydrophobicContact CD1-CG 4.4Å; L191-L420 HydrophobicContact CD1-CD1 3.7Å; L191-L420 HydrophobicContact CD1-CD2 3.43Å; L191-L420 VanDerWaalsContact CD1-CD2 3.43Å; L191-L420 HydrophobicContact CD1-CG 4.19Å; L191-L420 HydrophobicContact CD2-CD1 4.22Å; L191-L420 HydrophobicContact CD2-CD2 3.95Å; L191-L420 HydrophobicContact CG-CD1 4.31Å; L191-L420 HydrophobicContact CG-CD2 4.33Å
192	F	89.7	Confident	89.8	Confident	8 Å²	8	39.1 Å²	39.1	4%	0.035	19%	0.19	C	C	.	.	H	α-helix	trans	-56.4	-49.7	175.4	-179.7	-91.3	0	0	0	111.5	I159 A163 L185 D188 K190 Q194 V195 V196 I198 W248	I159-F192 HydrophobicContact CD1-CE1 3.73Å; I159-F192 HydrophobicContact CD1-CZ 3.81Å; A163-F192 HydrophobicContact CB-CD1 3.88Å; A163-F192 HydrophobicContact CB-CD2 3.76Å; A163-F192 HydrophobicContact CB-CE1 3.57Å; A163-F192 HydrophobicContact CB-CE2 3.42Å; A163-F192 VanDerWaalsContact CB-CE2 3.42Å; A163-F192 HydrophobicContact CB-CG 3.97Å; A163-F192 HydrophobicContact CB-CZ 3.33Å; L185-F192 HydrophobicContact CG-CD2 4.38Å; D188-F192 VanDerWaalsContact O-CB 3.28Å; D188-F192 WeakPolarHBondContact O-CB 3.46Å; D188-F192 PolarHBondContact O-N 3.48Å; K190-F192 VanDerWaalsContact C-N 3.33Å; F192-Q194 PolarHBondContact O-N 2.72Å; F192-V195 PolarHBondContact O-N 3.31Å; F192-V196 HydrophobicContact CD1-CB 4.3Å; F192-V196 HydrophobicContact CD2-CG2 4.21Å; F192-V196 HydrophobicContact CE1-CB 3.78Å; F192-V196 HydrophobicContact CE1-CG1 3.94Å; F192-V196 HydrophobicContact CE1-CG2 4.36Å; F192-V196 HydrophobicContact CE2-CB 4.05Å; F192-V196 HydrophobicContact CE2-CG1 4.45Å; F192-V196 HydrophobicContact CE2-CG2 3.7Å; F192-V196 HydrophobicContact CZ-CB 3.64Å; F192-V196 HydrophobicContact CZ-CG1 3.68Å; F192-V196 HydrophobicContact CZ-CG2 3.78Å; F192-V196 WeakPolarHBondContact O-CB 3.31Å; F192-V196 PolarHBondContact O-N 3.36Å; F192-I198 HydrophobicContact CD1-CG2 4.38Å; F192-I198 HydrophobicContact CE1-CG2 4.02Å; F192-W248 HydrophobicContact CD2-CH2 4.49Å; F192-W248 HydrophobicContact CD2-CZ3 4.48Å; F192-W248 HydrophobicContact CE2-CD2 4.09Å; F192-W248 AromaticContact CE2-CE3 3.71Å; F192-W248 HydrophobicContact CE2-CE3 3.71Å; F192-W248 AromaticContact CE2-CH2 3.65Å; F192-W248 HydrophobicContact CE2-CH2 3.65Å; F192-W248 HydrophobicContact CE2-CZ2 4.01Å; F192-W248 AromaticContact CE2-CZ3 3.51Å; F192-W248 HydrophobicContact CE2-CZ3 3.51Å; F192-W248 HydrophobicContact CZ-CD2 4.04Å; F192-W248 AromaticContact CZ-CE3 3.98Å; F192-W248 HydrophobicContact CZ-CE3 3.98Å; F192-W248 HydrophobicContact CZ-CZ3 4.25Å
193	E	89.6	Confident	89.6	Confident	61 Å²	61	45 Å²	45	29%	0.285	23%	0.226	S	C	.	.	H	α-helix	trans	-65.5	-22.2	179	-73.9	174.1	-178.4	0	0	113.4	K189 K190 L191 I198	K189-E193 WeakPolarHBondContact CE-OE1 3.47Å; K189-E193 IonicContact NZ-OE1 3.85Å; K189-E193 WeakPolarHBondContact O-CB 3.46Å; K189-E193 VanDerWaalsContact O-CG 3.3Å; K189-E193 WeakPolarHBondContact O-CG 3.42Å; K189-E193 PolarHBondContact O-N 3.22Å; K190-E193 PolarHBondContact O-N 2.95Å; L191-E193 PolarHBondContact O-N 2.65Å; E193-I198 HydrophobicContact CG-CD1 4.03Å; E193-I198 HydrophobicContact CG-CG1 4.33Å; E193-I198 HydrophobicContact CG-CG2 3.88Å
194	Q	87.2	Confident	89.5	Confident	58 Å²	58	52.2 Å²	52.2	27%	0.271	26%	0.257	S	S	.	.	H	α-helix	trans	-72.7	-42.2	174.3	-178.8	172.2	-13.8	0	0	111.6	K190 L191 F192 H213 W220	K190-Q194 PolarHBondContact O-N 2.8Å; L191-Q194 WeakPolarHBondContact O-CB 3.29Å; L191-Q194 PolarHBondContact O-N 3.08Å; L191-Q194 VanDerWaalsContact O-N 3.13Å; F192-Q194 PolarHBondContact O-N 2.72Å; Q194-H213 WeakPolarHBondContact O-CB 3.43Å; Q194-H213 PolarHBondContact O-ND1 3.47Å; Q194-W220 HydrophobicContact CG-CH2 3.79Å; Q194-W220 HydrophobicContact CG-CZ2 4.32Å; Q194-W220 HydrophobicContact CG-CZ3 3.91Å; Q194-W220 VanDerWaalsContact NE2-CE2 3.29Å
195	V	91.5	Very high	89.4	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-82.5	-44.6	179.7	175	0	0	0	0	111.6	L185 L191 F192 F212 H213 F214 W220 L252 F278	L185-V195 HydrophobicContact CD1-CG2 4.1Å; L185-V195 HydrophobicContact CD2-CB 3.89Å; L185-V195 HydrophobicContact CD2-CG1 3.89Å; L185-V195 HydrophobicContact CD2-CG2 3.98Å; L191-V195 PolarHBondContact O-N 3.03Å; F192-V195 PolarHBondContact O-N 3.31Å; V195-F212 CarbonylContact O-C 3.55Å; V195-F212 WeakPolarHBondContact O-CA 3.38Å; V195-H213 WeakPolarHBondContact CA-O 3.49Å; V195-H213 WeakPolarHBondContact CG1-O 3.38Å; V195-H213 PolarHBondContact O-N 3.01Å; V195-F214 HydrophobicContact CG1-CD1 4.38Å; V195-F214 HydrophobicContact CG1-CE1 4.14Å; V195-W220 HydrophobicContact CG2-CH2 4.28Å; V195-W220 HydrophobicContact CG2-CZ3 4.14Å; V195-L252 HydrophobicContact CG1-CD1 3.73Å; V195-F278 HydrophobicContact CG1-CD1 4.19Å; V195-F278 HydrophobicContact CG2-CB 4Å; V195-F278 HydrophobicContact CG2-CD1 4.39Å; V195-F278 HydrophobicContact CG2-CG 4.48Å; V195-F278 VanDerWaalsContact CG2-O 3.28Å; V195-F278 WeakPolarHBondContact CG2-O 3.41Å
196	V	94	Very high	89.6	Confident	0 Å²	0	60 Å²	60	0%	0	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-108.7	108	-174.7	-176.2	0	0	0	0	109.3	F158 I159 F192 I198 F212 W248 L252	F158-V196 HydrophobicContact CE1-CG1 3.71Å; F158-V196 HydrophobicContact CZ-CG1 3.74Å; I159-V196 HydrophobicContact CD1-CG1 4.48Å; F192-V196 HydrophobicContact CD1-CB 4.3Å; F192-V196 HydrophobicContact CD2-CG2 4.21Å; F192-V196 HydrophobicContact CE1-CB 3.78Å; F192-V196 HydrophobicContact CE1-CG1 3.94Å; F192-V196 HydrophobicContact CE1-CG2 4.36Å; F192-V196 HydrophobicContact CE2-CB 4.05Å; F192-V196 HydrophobicContact CE2-CG1 4.45Å; F192-V196 HydrophobicContact CE2-CG2 3.7Å; F192-V196 HydrophobicContact CZ-CB 3.64Å; F192-V196 HydrophobicContact CZ-CG1 3.68Å; F192-V196 HydrophobicContact CZ-CG2 3.78Å; F192-V196 WeakPolarHBondContact O-CB 3.31Å; F192-V196 PolarHBondContact O-N 3.36Å; V196-I198 PolarHBondContact O-N 2.97Å; V196-I198 VanDerWaalsContact O-N 3.1Å; V196-F212 HydrophobicContact CB-CD1 4.47Å; V196-F212 HydrophobicContact CG1-CD1 4.42Å; V196-F212 HydrophobicContact CG1-CE1 4.03Å; V196-F212 HydrophobicContact CG2-CD1 4.08Å; V196-F212 HydrophobicContact CG2-CE1 4.17Å; V196-W248 HydrophobicContact CG2-CE3 4.26Å; V196-L252 HydrophobicContact CG2-CD1 4.24Å; V196-L252 HydrophobicContact CG2-CD2 4.32Å
197	A	89.8	Confident	89.7	Confident	10 Å²	10	59.8 Å²	59.8	8%	0.083	29%	0.29	C	S	.	.			trans	-67.5	113	176.1	0	0	0	0	0	110.1	D199 Q200 R211	A197-D199 WeakPolarHBondContact CB-OD1 3.44Å; A197-D199 PolarHBondContact O-N 3.06Å; A197-Q200 HydrophobicContact CB-CG 4.34Å; A197-Q200 VanDerWaalsContact O-CG 3.3Å; A197-Q200 WeakPolarHBondContact O-CG 3.3Å; A197-Q200 PolarHBondContact O-NE2 3.43Å; A197-R211 HydrophobicContact CB-CG 4.09Å
198	I	89.1	Confident	90.2	Very high	93 Å²	93	56.2 Å²	56.2	48%	0.477	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-3.8	-174.3	57.7	163.1	0	0	0	114.2	I159 F192 E193 V196 Q200	I159-I198 HydrophobicContact CD1-CG2 4.27Å; F192-I198 HydrophobicContact CD1-CG2 4.38Å; F192-I198 HydrophobicContact CE1-CG2 4.02Å; E193-I198 HydrophobicContact CG-CD1 4.03Å; E193-I198 HydrophobicContact CG-CG1 4.33Å; E193-I198 HydrophobicContact CG-CG2 3.88Å; V196-I198 PolarHBondContact O-N 2.97Å; V196-I198 VanDerWaalsContact O-N 3.1Å; I198-Q200 PolarHBondContact O-N 2.87Å
199	D	88.9	Confident	90.6	Very high	92 Å²	92	55.2 Å²	55.2	49%	0.492	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	4.1	178.6	69.1	-36.5	0	0	0	113.7	A197 R211	A197-D199 WeakPolarHBondContact CB-OD1 3.44Å; A197-D199 PolarHBondContact O-N 3.06Å; D199-R211 IonicContact OD1-CZ 2.65Å; D199-R211 IonicContact OD1-NH2 3.09Å; D199-R211 PolarHBondContact OD1-NH2 3.43Å; D199-R211 VanDerWaalsContact OD1-NH2 3.09Å; D199-R211 IonicContact OD2-NH2 2.84Å; D199-R211 PolarHBondContact OD2-NH2 3.31Å
200	Q	92.3	Very high	91.1	Very high	12 Å²	12	48.3 Å²	48.3	6%	0.056	24%	0.237	C	C	.	.			trans	-92.3	144.6	-176.7	-56.6	-179.7	91.6	0	0	111.8	F158 A197 I198 F210 R211	F158-Q200 HydrophobicContact CD1-CB 4.04Å; F158-Q200 HydrophobicContact CE1-CB 3.99Å; F158-Q200 HydrophobicContact CG-CB 4.37Å; F158-Q200 HydrophobicContact CZ-CB 4.27Å; A197-Q200 HydrophobicContact CB-CG 4.34Å; A197-Q200 VanDerWaalsContact O-CG 3.3Å; A197-Q200 WeakPolarHBondContact O-CG 3.3Å; A197-Q200 PolarHBondContact O-NE2 3.43Å; I198-Q200 PolarHBondContact O-N 2.87Å; Q200-F210 HydrophobicContact CB-CD1 4Å; Q200-F210 HydrophobicContact CB-CE1 4.1Å; Q200-R211 PolarHBondContact NE2-O 3.29Å; Q200-R211 PolarHBondContact OE1-O 2.89Å
201	N	92.7	Very high	91.6	Very high	50 Å²	50	43.3 Å²	43.3	27%	0.267	21%	0.214	S	C	.	.			trans	-161.9	168.9	179.1	66.8	84.3	0	0	0	111.6	T203 K204	N201-T203 PolarHBondContact OD1-N 3.18Å; N201-T203 PolarHBondContact OD1-OG1 3.31Å; N201-K204 PolarHBondContact ND2-O 2.96Å; N201-K204 WeakPolarHBondContact OD1-CA 3.47Å; N201-K204 PolarHBondContact OD1-N 2.88Å; N201-K204 PolarHBondContact OD1-O 3.3Å
202	F	94.4	Very high	92.1	Very high	20 Å²	20	42.7 Å²	42.7	9%	0.088	21%	0.211	C	C	.	.	S	Bend	trans	-95.3	3.8	179.6	-66.7	-76.3	0	0	0	114.5	P149 P156 E157 F158 Y206 F210 D227 F247 L251	P149-F202 HydrophobicContact CB-CD1 4.42Å; P149-F202 HydrophobicContact CB-CE1 3.89Å; P149-F202 HydrophobicContact CB-CZ 3.99Å; P149-F202 HydrophobicContact CG-CD1 4.5Å; P149-F202 HydrophobicContact CG-CE1 3.56Å; P149-F202 HydrophobicContact CG-CZ 3.63Å; P156-F202 HydrophobicContact CB-CB 4.47Å; P156-F202 HydrophobicContact CB-CD2 3.97Å; P156-F202 HydrophobicContact CB-CE2 4.33Å; P156-F202 HydrophobicContact CB-CG 4.08Å; P156-F202 HydrophobicContact CG-CB 4.11Å; P156-F202 HydrophobicContact CG-CG 4.16Å; P156-F202 WeakPolarHBondContact O-CB 3.36Å; P156-F202 WeakPolarHBondContact O-CD2 3.46Å; E157-F202 VanDerWaalsContact C-CD2 3.46Å; E157-F202 VanDerWaalsContact C-CE2 3.48Å; E157-F202 WeakPolarHBondContact O-CE2 3.46Å; F158-F202 HydrophobicContact CB-CD2 4.34Å; F158-F202 HydrophobicContact CB-CE2 4.12Å; F158-F202 HydrophobicContact CD2-CE2 4.46Å; F202-Y206 HydrophobicContact CD1-CD2 4.14Å; F202-Y206 AromaticContact CD1-CE2 3.87Å; F202-Y206 HydrophobicContact CD1-CE2 3.87Å; F202-Y206 HydrophobicContact CE1-CE2 4.47Å; F202-F210 HydrophobicContact CD1-CE2 4.22Å; F202-F210 AromaticContact CD1-CZ 3.68Å; F202-F210 HydrophobicContact CD1-CZ 3.68Å; F202-F210 HydrophobicContact CE1-CE1 4.25Å; F202-F210 AromaticContact CE1-CE2 3.61Å; F202-F210 HydrophobicContact CE1-CE2 3.61Å; F202-F210 AromaticContact CE1-CZ 3.24Å; F202-F210 HydrophobicContact CE1-CZ 3.24Å; F202-F210 HydrophobicContact CE2-CZ 4.26Å; F202-F210 HydrophobicContact CG-CZ 4.32Å; F202-F210 HydrophobicContact CZ-CE1 4.16Å; F202-F210 HydrophobicContact CZ-CE2 4.17Å; F202-F210 AromaticContact CZ-CZ 3.57Å; F202-F210 HydrophobicContact CZ-CZ 3.57Å; F202-D227 HydrophobicContact CE1-CB 4.32Å; F202-F247 HydrophobicContact CE2-CB 4.09Å; F202-F247 HydrophobicContact CE2-CD2 4.33Å; F202-F247 HydrophobicContact CZ-CB 4Å; F202-L251 HydrophobicContact CZ-CD1 4Å
203	T	90.6	Very high	92.3	Very high	125 Å²	125	44.7 Å²	44.7	77%	0.767	22%	0.22	S	C	*	.	S	Bend	trans	-114.8	-63.2	-172.2	55.1	0	0	0	0	112.4	N201	N201-T203 PolarHBondContact OD1-N 3.18Å; N201-T203 PolarHBondContact OD1-OG1 3.31Å
204	K	89.7	Confident	92.4	Very high	152 Å²	152	41.8 Å²	41.8	66%	0.661	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.3	125.1	-179.7	-176.4	-178.1	177.9	-171.2	0	111.1	N201 Y206	N201-K204 PolarHBondContact ND2-O 2.96Å; N201-K204 WeakPolarHBondContact OD1-CA 3.47Å; N201-K204 PolarHBondContact OD1-N 2.88Å; N201-K204 PolarHBondContact OD1-O 3.3Å; K204-Y206 PolarHBondContact O-N 2.89Å
205	E	89.8	Confident	92.6	Very high	107 Å²	107	39.5 Å²	39.5	50%	0.5	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	31.8	178.1	-63	-179.4	165.2	0	0	113.6	K112 L116 C207	K112-E205 WeakPolarHBondContact CE-OE2 3.46Å; K112-E205 IonicContact NZ-OE2 2.81Å; K112-E205 PolarHBondContact NZ-OE2 3.04Å; L116-E205 HydrophobicContact CD1-CB 4Å; L116-E205 HydrophobicContact CD1-CG 4.3Å; L116-E205 HydrophobicContact CD2-CB 4.37Å; E205-C207 PolarHBondContact O-N 3.39Å
206	Y	94.8	Very high	92.5	Very high	56 Å²	56	40.1 Å²	40.1	22%	0.22	20%	0.199	C	C	.	.			trans	-67.8	127.8	178.3	169.6	-102.7	0	0	0	111	L121 H150 F202 K204 G208 F210 D227	L121-Y206 HydrophobicContact CD1-CE1 4.46Å; L121-Y206 HydrophobicContact CD2-CD1 4.09Å; L121-Y206 HydrophobicContact CD2-CE1 3.44Å; L121-Y206 VanDerWaalsContact CD2-CE1 3.44Å; H150-Y206 PolarHBondContact CE1-OH 3.24Å; H150-Y206 PolarHBondContact ND1-OH 3.17Å; F202-Y206 HydrophobicContact CD1-CD2 4.14Å; F202-Y206 AromaticContact CD1-CE2 3.87Å; F202-Y206 HydrophobicContact CD1-CE2 3.87Å; F202-Y206 HydrophobicContact CE1-CE2 4.47Å; K204-Y206 PolarHBondContact O-N 2.89Å; Y206-G208 VanDerWaalsContact CE2-CA 3.49Å; Y206-G208 VanDerWaalsContact CE2-N 3.31Å; Y206-F210 HydrophobicContact CE2-CE2 4.46Å; Y206-D227 VanDerWaalsContact CE2-OD2 3.31Å; Y206-D227 WeakPolarHBondContact CE2-OD2 3.47Å; Y206-D227 PolarHBondContact OH-OD2 2.95Å
207	C	94.6	Very high	92.1	Very high	6 Å²	6	41.2 Å²	41.2	4%	0.041	20%	0.203	C	C	.	.			trans	-138.5	20.1	173	56.9	0	0	0	0	112.2	L115 L116 L121 F122 E205 L209	L115-C207 HydrophobicContact CB-CB 3.85Å; L115-C207 HydrophobicContact CD1-CB 4.45Å; L116-C207 HydrophobicContact CD2-CB 4.11Å; L116-C207 HydrophobicContact CG-CB 4.4Å; L121-C207 CarbonylContact C-O 3.55Å; L121-C207 WeakPolarHBondContact CA-O 3.36Å; F122-C207 PolarHBondContact N-O 3.09Å; E205-C207 PolarHBondContact O-N 3.39Å; C207-L209 PolarHBondContact O-N 3.39Å
208	G	95.3	Very high	91.8	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.21	C	C	.	.	S	Bend	trans	63.8	22.7	-179.8	0	0	0	0	0	114.4	Y206 D226 D227	Y206-G208 VanDerWaalsContact CE2-CA 3.49Å; Y206-G208 VanDerWaalsContact CE2-N 3.31Å; G208-D226 WeakPolarHBondContact O-CA 3.42Å; G208-D227 PolarHBondContact O-N 3.04Å
209	L	95.2	Very high	91.4	Very high	8 Å²	8	40.7 Å²	40.7	4%	0.042	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	127.3	179.9	176.2	70.4	0	0	0	108.9	Y108 L111 K112 L115 F122 C207 V224	Y108-L209 HydrophobicContact CD2-CD2 3.77Å; Y108-L209 HydrophobicContact CD2-CG 4.06Å; Y108-L209 HydrophobicContact CE2-CD2 3.69Å; Y108-L209 HydrophobicContact CE2-CG 3.71Å; L111-L209 HydrophobicContact CB-CD2 4.37Å; L111-L209 HydrophobicContact CD2-CD1 3.9Å; L111-L209 HydrophobicContact CD2-CD2 4.05Å; L111-L209 HydrophobicContact CG-CD2 4.14Å; K112-L209 HydrophobicContact CB-CD2 4.04Å; L115-L209 HydrophobicContact CD1-CB 4.19Å; L115-L209 HydrophobicContact CD1-CD2 4.05Å; F122-L209 HydrophobicContact CB-CB 3.93Å; F122-L209 HydrophobicContact CB-CD1 4.33Å; F122-L209 HydrophobicContact CD1-CB 4.3Å; F122-L209 HydrophobicContact CD1-CD1 3.3Å; F122-L209 HydrophobicContact CD1-CG 4.39Å; F122-L209 HydrophobicContact CD2-CD1 4.25Å; F122-L209 HydrophobicContact CE1-CD1 3.51Å; F122-L209 HydrophobicContact CE2-CD1 4.44Å; F122-L209 HydrophobicContact CG-CB 4.26Å; F122-L209 HydrophobicContact CG-CD1 3.71Å; F122-L209 HydrophobicContact CZ-CD1 4.09Å; C207-L209 PolarHBondContact O-N 3.39Å; L209-V224 HydrophobicContact CD1-CB 3.96Å; L209-V224 HydrophobicContact CD1-CG2 4.48Å
210	F	95.5	Very high	91.1	Very high	3 Å²	3	38.7 Å²	38.7	1%	0.013	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	154.4	176.6	-69.2	-95.4	0	0	0	110.4	F158 Q200 F202 Y206 F212 V224 V225 D227 L251	F158-F210 AromaticContact CD2-CD1 3.82Å; F158-F210 HydrophobicContact CD2-CD1 3.82Å; F158-F210 AromaticContact CD2-CE1 3.56Å; F158-F210 HydrophobicContact CD2-CE1 3.56Å; F158-F210 AromaticContact CE2-CD1 3.63Å; F158-F210 HydrophobicContact CE2-CD1 3.63Å; F158-F210 AromaticContact CE2-CE1 3.89Å; F158-F210 HydrophobicContact CE2-CE1 3.89Å; F158-F210 HydrophobicContact CG-CE1 4.28Å; F158-F210 HydrophobicContact CZ-CD1 4.41Å; Q200-F210 HydrophobicContact CB-CD1 4Å; Q200-F210 HydrophobicContact CB-CE1 4.1Å; F202-F210 HydrophobicContact CD1-CE2 4.22Å; F202-F210 AromaticContact CD1-CZ 3.68Å; F202-F210 HydrophobicContact CD1-CZ 3.68Å; F202-F210 HydrophobicContact CE1-CE1 4.25Å; F202-F210 AromaticContact CE1-CE2 3.61Å; F202-F210 HydrophobicContact CE1-CE2 3.61Å; F202-F210 AromaticContact CE1-CZ 3.24Å; F202-F210 HydrophobicContact CE1-CZ 3.24Å; F202-F210 HydrophobicContact CE2-CZ 4.26Å; F202-F210 HydrophobicContact CG-CZ 4.32Å; F202-F210 HydrophobicContact CZ-CE1 4.16Å; F202-F210 HydrophobicContact CZ-CE2 4.17Å; F202-F210 AromaticContact CZ-CZ 3.57Å; F202-F210 HydrophobicContact CZ-CZ 3.57Å; Y206-F210 HydrophobicContact CE2-CE2 4.46Å; F210-F212 HydrophobicContact CB-CE2 4.25Å; F210-V224 CarbonylContact O-C 3.59Å; F210-V224 VanDerWaalsContact O-CA 3.23Å; F210-V224 WeakPolarHBondContact O-CA 3.49Å; F210-V225 HydrophobicContact CB-CG2 4.34Å; F210-V225 PolarHBondContact N-O 3.46Å; F210-V225 PolarHBondContact O-N 3.36Å; F210-D227 HydrophobicContact CD2-CB 3.83Å; F210-D227 HydrophobicContact CE2-CB 3.63Å; F210-L251 HydrophobicContact CB-CD1 4.49Å; F210-L251 HydrophobicContact CD1-CD1 3.9Å; F210-L251 HydrophobicContact CD2-CD1 3.99Å; F210-L251 HydrophobicContact CE1-CD1 4.11Å; F210-L251 HydrophobicContact CE2-CD1 4.2Å; F210-L251 HydrophobicContact CG-CD1 3.85Å; F210-L251 HydrophobicContact CZ-CD1 4.27Å
211	R	94.5	Very high	90.8	Very high	35 Å²	35	40 Å²	40	13%	0.132	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	148.5	-179.5	65.5	173.7	175.7	-156.1	-3.9	112	Y108 A197 D199 Q200 E222 V223 V224	Y108-R211 HydrophobicContact CD2-CB 3.8Å; Y108-R211 HydrophobicContact CD2-CG 4.11Å; Y108-R211 HydrophobicContact CE2-CB 3.82Å; Y108-R211 HydrophobicContact CE2-CG 3.84Å; A197-R211 HydrophobicContact CB-CG 4.09Å; D199-R211 IonicContact OD1-CZ 2.65Å; D199-R211 IonicContact OD1-NH2 3.09Å; D199-R211 PolarHBondContact OD1-NH2 3.43Å; D199-R211 VanDerWaalsContact OD1-NH2 3.09Å; D199-R211 IonicContact OD2-NH2 2.84Å; D199-R211 PolarHBondContact OD2-NH2 3.31Å; Q200-R211 PolarHBondContact NE2-O 3.29Å; Q200-R211 PolarHBondContact OE1-O 2.89Å; R211-E222 HydrophobicContact CB-CG 4.22Å; R211-E222 WeakPolarHBondContact CD-OE1 3.12Å; R211-E222 IonicContact NH1-OE1 4Å; R211-V223 WeakPolarHBondContact CA-O 3.32Å; R211-V224 HydrophobicContact CB-CG1 4.21Å
212	F	95.4	Very high	90.6	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	154.8	174.1	-60.5	-86.8	0	0	0	109	F158 V195 V196 F210 F214 E222 V223 V225 L251 L252 A255	F158-F212 HydrophobicContact CE2-CZ 4.21Å; F158-F212 HydrophobicContact CZ-CE1 4.18Å; F158-F212 HydrophobicContact CZ-CZ 4.17Å; V195-F212 CarbonylContact O-C 3.55Å; V195-F212 WeakPolarHBondContact O-CA 3.38Å; V196-F212 HydrophobicContact CB-CD1 4.47Å; V196-F212 HydrophobicContact CG1-CD1 4.42Å; V196-F212 HydrophobicContact CG1-CE1 4.03Å; V196-F212 HydrophobicContact CG2-CD1 4.08Å; V196-F212 HydrophobicContact CG2-CE1 4.17Å; F210-F212 HydrophobicContact CB-CE2 4.25Å; F212-F214 HydrophobicContact CB-CE2 3.94Å; F212-F214 HydrophobicContact CB-CZ 3.91Å; F212-E222 CarbonylContact O-C 3.5Å; F212-E222 WeakPolarHBondContact O-CA 3.33Å; F212-V223 PolarHBondContact N-O 3.11Å; F212-V223 PolarHBondContact O-N 2.89Å; F212-V225 HydrophobicContact CD2-CG2 4.4Å; F212-V225 HydrophobicContact CE2-CG2 4.09Å; F212-L251 HydrophobicContact CE2-CB 3.84Å; F212-L251 WeakPolarHBondContact CE2-O 3.44Å; F212-L251 HydrophobicContact CZ-CB 3.57Å; F212-L252 HydrophobicContact CB-CD1 4.23Å; F212-L252 HydrophobicContact CD1-CB 4.16Å; F212-L252 HydrophobicContact CD1-CD1 3.4Å; F212-L252 VanDerWaalsContact CD1-CD1 3.4Å; F212-L252 HydrophobicContact CD1-CG 4.4Å; F212-L252 HydrophobicContact CE1-CB 3.82Å; F212-L252 HydrophobicContact CE1-CD1 3.95Å; F212-L252 HydrophobicContact CG-CD1 3.94Å; F212-L252 HydrophobicContact CZ-CB 4.28Å; F212-A255 HydrophobicContact CB-CB 4.14Å; F212-A255 HydrophobicContact CD2-CB 3.38Å; F212-A255 HydrophobicContact CE2-CB 4.07Å; F212-A255 HydrophobicContact CG-CB 3.98Å
213	H	93.2	Very high	90.6	Very high	50 Å²	50	39.8 Å²	39.8	23%	0.231	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	128.8	176.3	-50.2	94.4	0	0	0	109.9	Q194 V195 W220 K221	Q194-H213 WeakPolarHBondContact O-CB 3.43Å; Q194-H213 PolarHBondContact O-ND1 3.47Å; V195-H213 WeakPolarHBondContact CA-O 3.49Å; V195-H213 WeakPolarHBondContact CG1-O 3.38Å; V195-H213 PolarHBondContact O-N 3.01Å; H213-W220 HydrophobicContact CB-CE3 3.87Å; H213-W220 HydrophobicContact CB-CZ3 4.22Å; H213-K221 WeakPolarHBondContact CA-O 3.48Å
214	F	92.8	Very high	90.7	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	136.5	174.6	-57	-68.9	0	0	0	109.6	V195 F212 W220 K221 V223 L252 A255 Y256 L259 D277 F278	V195-F214 HydrophobicContact CG1-CD1 4.38Å; V195-F214 HydrophobicContact CG1-CE1 4.14Å; F212-F214 HydrophobicContact CB-CE2 3.94Å; F212-F214 HydrophobicContact CB-CZ 3.91Å; F214-W220 CarbonylContact O-C 3.6Å; F214-W220 WeakPolarHBondContact O-CA 3.48Å; F214-K221 PolarHBondContact N-O 3.32Å; F214-K221 PolarHBondContact O-N 2.98Å; F214-V223 HydrophobicContact CD2-CB 4.11Å; F214-V223 HydrophobicContact CD2-CG2 3.71Å; F214-V223 HydrophobicContact CE2-CB 4.05Å; F214-V223 HydrophobicContact CE2-CG2 4.12Å; F214-L252 HydrophobicContact CE1-CD1 3.62Å; F214-L252 HydrophobicContact CZ-CD1 3.67Å; F214-A255 HydrophobicContact CE2-CB 3.82Å; F214-A255 HydrophobicContact CZ-CB 4Å; F214-Y256 AromaticContact CD1-CD2 3.88Å; F214-Y256 HydrophobicContact CD1-CD2 3.88Å; F214-Y256 HydrophobicContact CD1-CE2 4.44Å; F214-Y256 AromaticContact CE1-CD2 3.74Å; F214-Y256 HydrophobicContact CE1-CD2 3.74Å; F214-Y256 HydrophobicContact CE1-CG 4.49Å; F214-Y256 HydrophobicContact CG-CD2 4.34Å; F214-Y256 HydrophobicContact CZ-CD2 4.07Å; F214-L259 HydrophobicContact CB-CD2 3.88Å; F214-L259 HydrophobicContact CD2-CD2 3.97Å; F214-L259 HydrophobicContact CG-CD2 4.07Å; F214-D277 CarbonylContact C-O 3.6Å; F214-D277 WeakPolarHBondContact CA-O 3.14Å; F214-F278 AromaticContact CD1-CD1 3.96Å; F214-F278 HydrophobicContact CD1-CD1 3.96Å; F214-F278 AromaticContact CD1-CE1 3.87Å; F214-F278 HydrophobicContact CD1-CE1 3.87Å; F214-F278 HydrophobicContact CE1-CD1 4.14Å; F214-F278 AromaticContact CE1-CE1 3.67Å; F214-F278 HydrophobicContact CE1-CE1 3.67Å
215	W	90.6	Very high	91.1	Very high	11 Å²	11	27.3 Å²	27.3	4%	0.042	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	130	161.1	-175.3	89.6	0	0	0	108.8	E219 W220 E276 D277 M488 M570	W215-E219 CarbonylContact C-O 3.59Å; W215-W220 HydrophobicContact CB-CD2 4.07Å; W215-W220 HydrophobicContact CB-CE3 4.48Å; W215-W220 HydrophobicContact CB-CG 4.48Å; W215-W220 HydrophobicContact CB-CH2 4.33Å; W215-W220 HydrophobicContact CB-CZ2 3.86Å; W215-W220 AromaticContact CD1-CD1 3.5Å; W215-W220 VanDerWaalsContact CD1-CD1 3.5Å; W215-W220 AromaticContact CD1-NE1 3.39Å; W215-E276 HydrophobicContact CZ3-CB 4.34Å; W215-D277 PolarHBondContact N-O 3.39Å; W215-D277 WeakPolarHBondContact O-CA 3.46Å; W215-M488 HydrophobicContact CH2-CE 3.87Å; W215-M488 HydrophobicContact CH2-SD 4.03Å; W215-M488 HydrophobicContact CZ3-CE 3.8Å; W215-M488 HydrophobicContact CZ3-SD 3.89Å; W215-M570 HydrophobicContact CH2-CE 3.32Å; W215-M570 HydrophobicContact CH2-SD 4.3Å; W215-M570 HydrophobicContact CZ2-CE 3.82Å; W215-M570 HydrophobicContact CZ2-SD 4.2Å; W215-M570 HydrophobicContact CZ3-CE 4.22Å
216	N	88.4	Confident	91.4	Very high	13 Å²	13	22.2 Å²	22.2	7%	0.07	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	93.2	-176.4	176.7	83.1	0	0	0	109	E219 K221	N216-E219 PolarHBondContact N-O 3.5Å; N216-K221 HydrophobicContact CB-CD 3.97Å; N216-K221 HydrophobicContact CB-CG 4.25Å; N216-K221 WeakPolarHBondContact ND2-CE 3.3Å; N216-K221 PolarHBondContact ND2-NZ 3.47Å
217	Y	87.5	Confident	91.5	Very high	23 Å²	23	19.6 Å²	19.6	9%	0.09	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	47.9	175.9	-43.4	-66.5	0	0	0	114.5	M488 K490 N491 M570	Y217-M488 HydrophobicContact CD1-CG 4.35Å; Y217-M488 HydrophobicContact CD1-SD 3.69Å; Y217-M488 HydrophobicContact CE1-CG 4.46Å; Y217-M488 HydrophobicContact CE1-SD 4.02Å; Y217-K490 HydrophobicContact CD1-CB 4.04Å; Y217-K490 HydrophobicContact CD1-CD 4.49Å; Y217-K490 HydrophobicContact CD1-CG 3.71Å; Y217-K490 HydrophobicContact CD2-CB 4.25Å; Y217-K490 HydrophobicContact CD2-CG 4.36Å; Y217-K490 HydrophobicContact CE1-CB 4.09Å; Y217-K490 HydrophobicContact CE1-CG 4.23Å; Y217-K490 HydrophobicContact CE2-CB 4.33Å; Y217-K490 HydrophobicContact CG-CB 4.15Å; Y217-K490 HydrophobicContact CG-CD 4.11Å; Y217-K490 HydrophobicContact CG-CG 3.8Å; Y217-N491 WeakPolarHBondContact CE2-OD1 3.11Å; Y217-N491 PolarHBondContact OH-N 3.25Å; Y217-M570 VanDerWaalsContact C-SD 3.55Å
218	G	81.8	Confident	91.7	Very high	22 Å²	22	22.2 Å²	22.2	23%	0.227	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	100.3	-16.1	177.8	0	0	0	0	0	114.3
219	E	80.7	Confident	91.8	Very high	70 Å²	70	22.3 Å²	22.3	33%	0.327	10%	0.104	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	140.9	-178.3	-63.5	-179.6	159.6	0	0	111.6	W215 N216 K221	W215-E219 CarbonylContact C-O 3.59Å; N216-E219 PolarHBondContact N-O 3.5Å; E219-K221 WeakPolarHBondContact OE2-CE 3.34Å; E219-K221 IonicContact OE2-NZ 3.92Å
220	W	82.6	Confident	91.9	Very high	49 Å²	49	22.1 Å²	22.1	19%	0.186	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	127.1	168	-77.5	66.8	0	0	0	110.5	I93 Q194 V195 H213 F214 W215 F278	I93-W220 HydrophobicContact CD1-CB 4.25Å; I93-W220 HydrophobicContact CD1-CD2 4.48Å; I93-W220 HydrophobicContact CD1-CG 3.62Å; Q194-W220 HydrophobicContact CG-CH2 3.79Å; Q194-W220 HydrophobicContact CG-CZ2 4.32Å; Q194-W220 HydrophobicContact CG-CZ3 3.91Å; Q194-W220 VanDerWaalsContact NE2-CE2 3.29Å; V195-W220 HydrophobicContact CG2-CH2 4.28Å; V195-W220 HydrophobicContact CG2-CZ3 4.14Å; H213-W220 HydrophobicContact CB-CE3 3.87Å; H213-W220 HydrophobicContact CB-CZ3 4.22Å; F214-W220 CarbonylContact O-C 3.6Å; F214-W220 WeakPolarHBondContact O-CA 3.48Å; W215-W220 HydrophobicContact CB-CD2 4.07Å; W215-W220 HydrophobicContact CB-CE3 4.48Å; W215-W220 HydrophobicContact CB-CG 4.48Å; W215-W220 HydrophobicContact CB-CH2 4.33Å; W215-W220 HydrophobicContact CB-CZ2 3.86Å; W215-W220 AromaticContact CD1-CD1 3.5Å; W215-W220 VanDerWaalsContact CD1-CD1 3.5Å; W215-W220 AromaticContact CD1-NE1 3.39Å; W220-F278 WeakPolarHBondContact CH2-O 3.32Å
221	K	86.1	Confident	92	Very high	40 Å²	40	22 Å²	22	17%	0.174	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	128.3	-176.4	-64.1	-168.6	177.1	178.7	0	110.4	V101 H213 F214 N216 E219	V101-K221 HydrophobicContact CG2-CD 3.99Å; H213-K221 WeakPolarHBondContact CA-O 3.48Å; F214-K221 PolarHBondContact N-O 3.32Å; F214-K221 PolarHBondContact O-N 2.98Å; N216-K221 HydrophobicContact CB-CD 3.97Å; N216-K221 HydrophobicContact CB-CG 4.25Å; N216-K221 WeakPolarHBondContact ND2-CE 3.3Å; N216-K221 PolarHBondContact ND2-NZ 3.47Å; E219-K221 WeakPolarHBondContact OE2-CE 3.34Å; E219-K221 IonicContact OE2-NZ 3.92Å
222	E	90.1	Very high	92	Very high	64 Å²	64	24.4 Å²	24.4	30%	0.299	11%	0.112	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	117.2	169.4	-171.9	176.3	-178.4	0	0	108.7	Y108 R211 F212	Y108-E222 WeakPolarHBondContact CB-OE1 3.28Å; R211-E222 HydrophobicContact CB-CG 4.22Å; R211-E222 WeakPolarHBondContact CD-OE1 3.12Å; R211-E222 IonicContact NH1-OE1 4Å; F212-E222 CarbonylContact O-C 3.5Å; F212-E222 WeakPolarHBondContact O-CA 3.33Å
223	V	92.9	Very high	91.9	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.012	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	117	177.3	-179.8	0	0	0	0	108.6	R211 F212 F214 A255 K258 L259	R211-V223 WeakPolarHBondContact CA-O 3.32Å; F212-V223 PolarHBondContact N-O 3.11Å; F212-V223 PolarHBondContact O-N 2.89Å; F214-V223 HydrophobicContact CD2-CB 4.11Å; F214-V223 HydrophobicContact CD2-CG2 3.71Å; F214-V223 HydrophobicContact CE2-CB 4.05Å; F214-V223 HydrophobicContact CE2-CG2 4.12Å; V223-A255 HydrophobicContact CG1-CB 4.06Å; V223-K258 HydrophobicContact CG1-CD 3.98Å; V223-K258 HydrophobicContact CG1-CG 4.34Å; V223-L259 HydrophobicContact CG2-CD1 4.24Å
224	V	94.4	Very high	91.8	Very high	15 Å²	15	35.3 Å²	35.3	9%	0.091	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	141.8	175.1	-58.3	0	0	0	0	111.1	Y108 F122 L209 F210 R211 K258	Y108-V224 HydrophobicContact CD2-CG1 3.87Å; F122-V224 HydrophobicContact CZ-CG2 4.47Å; L209-V224 HydrophobicContact CD1-CB 3.96Å; L209-V224 HydrophobicContact CD1-CG2 4.48Å; F210-V224 CarbonylContact O-C 3.59Å; F210-V224 VanDerWaalsContact O-CA 3.23Å; F210-V224 WeakPolarHBondContact O-CA 3.49Å; R211-V224 HydrophobicContact CB-CG1 4.21Å; V224-K258 WeakPolarHBondContact O-CD 3.2Å; V224-K258 PolarHBondContact O-NZ 2.69Å
225	V	96.3	Very high	91.8	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	153	175.9	-69.9	0	0	0	0	110.6	F210 F212 K254 A255 K258	F210-V225 HydrophobicContact CB-CG2 4.34Å; F210-V225 PolarHBondContact N-O 3.46Å; F210-V225 PolarHBondContact O-N 3.36Å; F212-V225 HydrophobicContact CD2-CG2 4.4Å; F212-V225 HydrophobicContact CE2-CG2 4.09Å; V225-K254 HydrophobicContact CB-CD 4.36Å; V225-K254 HydrophobicContact CG1-CG 4.36Å; V225-A255 HydrophobicContact CG1-CB 3.93Å; V225-A255 HydrophobicContact CG2-CB 4.24Å; V225-K258 HydrophobicContact CG1-CB 4.35Å; V225-K258 HydrophobicContact CG1-CD 3.88Å
226	D	96.6	Very high	92.1	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	164.9	161.4	73	48.7	0	0	0	111.5	F122 D124 G208 R228 K254	F122-D226 HydrophobicContact CB-CB 4.46Å; F122-D226 HydrophobicContact CD1-CB 3.73Å; F122-D226 HydrophobicContact CE1-CB 4.43Å; F122-D226 HydrophobicContact CG-CB 4.44Å; F122-D226 WeakPolarHBondContact O-CB 3.45Å; D124-D226 HydrophobicContact CB-CB 4.5Å; D124-D226 PolarHBondContact N-OD2 2.94Å; G208-D226 WeakPolarHBondContact O-CA 3.42Å; D226-R228 VanDerWaalsContact OD1-CB 3.26Å; D226-R228 WeakPolarHBondContact OD1-CB 3.31Å; D226-R228 PolarHBondContact OD1-N 2.63Å; D226-K254 PolarHBondContact O-NZ 2.86Å; D226-K254 IonicContact OD1-NZ 3.62Å; D226-K254 PolarHBondContact OD1-NZ 2.88Å
227	D	97.5	Very high	92.4	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.193	C	C	.	.	S	Bend	trans	-89.3	11.7	-179.4	71.1	-11.2	0	0	0	115.2	R148 P149 F202 Y206 G208 F210 L229 L251	R148-D227 WeakPolarHBondContact CD-OD1 3.29Å; R148-D227 WeakPolarHBondContact CG-OD1 3.37Å; R148-D227 IonicContact CZ-OD1 2.85Å; R148-D227 IonicContact NE-OD1 3.32Å; R148-D227 IonicContact NH1-OD1 3.64Å; R148-D227 PolarHBondContact NH1-OD1 2.9Å; P149-D227 VanDerWaalsContact CD-O 3.26Å; P149-D227 WeakPolarHBondContact CD-O 3.22Å; P149-D227 WeakPolarHBondContact CD-OD2 3.32Å; P149-D227 HydrophobicContact CG-CB 4.38Å; F202-D227 HydrophobicContact CE1-CB 4.32Å; Y206-D227 VanDerWaalsContact CE2-OD2 3.31Å; Y206-D227 WeakPolarHBondContact CE2-OD2 3.47Å; Y206-D227 PolarHBondContact OH-OD2 2.95Å; G208-D227 PolarHBondContact O-N 3.04Å; F210-D227 HydrophobicContact CD2-CB 3.83Å; F210-D227 HydrophobicContact CE2-CB 3.63Å; D227-L229 PolarHBondContact O-N 3.29Å; D227-L251 HydrophobicContact CB-CD2 3.97Å
228	R	97.9	Very high	92.7	Very high	62 Å²	62	39.3 Å²	39.3	23%	0.234	19%	0.19	C	C	.	.			trans	-70.5	122.3	173.3	-62.2	174.7	177	-120.8	7.4	109.7	E123 P129 W146 R148 D226 K254	E123-R228 IonicContact OE1-CZ 2.8Å; E123-R228 IonicContact OE1-NH2 2.84Å; E123-R228 PolarHBondContact OE1-NH2 3.24Å; P129-R228 HydrophobicContact CB-CB 4.45Å; W146-R228 HydrophobicContact CB-CB 4.28Å; W146-R228 HydrophobicContact CE3-CB 4.18Å; W146-R228 VanDerWaalsContact CE3-O 3.29Å; W146-R228 WeakPolarHBondContact CZ3-O 3.39Å; R148-R228 HydrophobicContact CG-CG 3.75Å; D226-R228 VanDerWaalsContact OD1-CB 3.26Å; D226-R228 WeakPolarHBondContact OD1-CB 3.31Å; D226-R228 PolarHBondContact OD1-N 2.63Å; R228-K254 WeakPolarHBondContact O-CE 3.33Å; R228-K254 PolarHBondContact O-NZ 3.18Å
229	L	98.1	Very high	93.3	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.01	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	146.1	-178.2	-69.1	166.6	0	0	0	111.6	W146 L147 P149 D227 T231 L236 F247 A250 L251 K254	W146-L229 WeakPolarHBondContact CA-O 3.33Å; L147-L229 PolarHBondContact N-O 3.07Å; L147-L229 PolarHBondContact O-N 2.89Å; P149-L229 HydrophobicContact CG-CD1 4.43Å; D227-L229 PolarHBondContact O-N 3.29Å; L229-T231 PolarHBondContact O-N 2.97Å; L229-L236 HydrophobicContact CB-CD2 3.62Å; L229-L236 HydrophobicContact CD1-CD2 3.76Å; L229-L236 HydrophobicContact CG-CD2 4.27Å; L229-F247 HydrophobicContact CD1-CD1 3.76Å; L229-F247 HydrophobicContact CD1-CE1 4.41Å; L229-A250 HydrophobicContact CD1-CB 3.8Å; L229-A250 HydrophobicContact CD2-CB 4.01Å; L229-L251 HydrophobicContact CD1-CD2 4.41Å; L229-L251 HydrophobicContact CD2-CD2 4.07Å; L229-L251 HydrophobicContact CG-CD2 4.31Å; L229-K254 HydrophobicContact CD2-CB 4.4Å; L229-K254 HydrophobicContact CD2-CD 4.27Å
230	P	97.2	Very high	94	Very high	3 Å²	3	37.7 Å²	37.7	2%	0.019	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	119.9	173.6	-22.7	35.9	0	0	0	111.8	L134 I144 W146 V237 Y238 Y263	L134-P230 HydrophobicContact CD2-CB 3.94Å; L134-P230 HydrophobicContact CD2-CG 3.65Å; I144-P230 HydrophobicContact CG2-CB 3.85Å; W146-P230 HydrophobicContact CD2-CG 4.47Å; W146-P230 HydrophobicContact CE3-CG 4.14Å; W146-P230 HydrophobicContact CH2-CG 3.85Å; W146-P230 HydrophobicContact CZ2-CG 4.18Å; W146-P230 HydrophobicContact CZ3-CG 3.8Å; P230-V237 PolarHBondContact O-N 3.3Å; P230-Y238 HydrophobicContact CB-CD2 4.04Å; P230-Y238 HydrophobicContact CB-CE2 3.83Å; P230-Y238 HydrophobicContact CG-CD2 3.9Å; P230-Y238 HydrophobicContact CG-CE2 3.72Å; P230-Y263 HydrophobicContact CG-CD2 4.45Å; P230-Y263 HydrophobicContact CG-CE2 3.76Å
231	T	96.9	Very high	94.4	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	151.9	178.1	69	0	0	0	0	112.5	I144 Q145 L147 I152 L229 S235 L236	I144-T231 WeakPolarHBondContact CA-O 3.26Å; Q145-T231 PolarHBondContact N-O 3.39Å; Q145-T231 WeakPolarHBondContact O-CA 3.29Å; Q145-T231 WeakPolarHBondContact O-CB 3.49Å; Q145-T231 PolarHBondContact O-N 3.5Å; Q145-T231 PolarHBondContact O-OG1 3.43Å; L147-T231 HydrophobicContact CB-CG2 4.06Å; L147-T231 HydrophobicContact CD1-CG2 4.3Å; L147-T231 WeakPolarHBondContact CD1-OG1 3.31Å; L147-T231 HydrophobicContact CG-CG2 4.39Å; I152-T231 HydrophobicContact CD1-CG2 3.68Å; I152-T231 HydrophobicContact CG1-CG2 4.11Å; L229-T231 PolarHBondContact O-N 2.97Å; T231-S235 CarbonylContact C-O 3.55Å; T231-S235 WeakPolarHBondContact CA-O 3.16Å; T231-S235 VanDerWaalsContact CB-O 3.3Å; T231-S235 WeakPolarHBondContact CB-O 3.44Å; T231-L236 HydrophobicContact CG2-CD2 4.27Å
232	Y	94.8	Very high	94.5	Very high	86 Å²	86	37.4 Å²	37.4	34%	0.337	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	124	166.7	-179.2	-107.9	0	0	0	107.8	K142 K234 S235	K142-Y232 HydrophobicContact CB-CD2 3.88Å; K142-Y232 HydrophobicContact CB-CE2 4.07Å; K142-Y232 HydrophobicContact CD-CD1 4.16Å; K142-Y232 HydrophobicContact CD-CD2 4.16Å; K142-Y232 HydrophobicContact CD-CE1 4.38Å; K142-Y232 HydrophobicContact CD-CE2 4.38Å; K142-Y232 HydrophobicContact CD-CG 4.05Å; K142-Y232 HydrophobicContact CG-CD2 4.42Å; K142-Y232 HydrophobicContact CG-CE2 4.39Å; Y232-K234 PolarHBondContact O-N 3.46Å; Y232-S235 PolarHBondContact N-O 3.44Å; Y232-S235 PolarHBondContact O-N 3.31Å
233	Q	92.5	Very high	94.5	Very high	148 Å²	148	39.5 Å²	39.5	69%	0.692	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.7	39	-175	-58.4	-179	-9.4	0	0	113.5	S235	Q233-S235 PolarHBondContact O-N 2.82Å
234	K	91.6	Very high	94.4	Very high	131 Å²	131	48.1 Å²	48.1	57%	0.57	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.2	12.8	-175.4	-54.8	-171.8	173.4	-164.8	0	115.8	L147 Y232	L147-K234 HydrophobicContact CD1-CB 4.45Å; L147-K234 HydrophobicContact CD1-CG 4.06Å; Y232-K234 PolarHBondContact O-N 3.46Å
235	S	93.7	Very high	94.3	Very high	78 Å²	78	49.5 Å²	49.5	55%	0.545	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	142.7	169	-62.2	0	0	0	0	110.1	T231 Y232 Q233	T231-S235 CarbonylContact C-O 3.55Å; T231-S235 WeakPolarHBondContact CA-O 3.16Å; T231-S235 VanDerWaalsContact CB-O 3.3Å; T231-S235 WeakPolarHBondContact CB-O 3.44Å; Y232-S235 PolarHBondContact N-O 3.44Å; Y232-S235 PolarHBondContact O-N 3.31Å; Q233-S235 PolarHBondContact O-N 2.82Å
236	L	95.8	Very high	94.3	Very high	35 Å²	35	49.7 Å²	49.7	18%	0.183	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	136.2	173.5	-68.6	172.9	0	0	0	109.4	I152 L229 T231 H240 F247 A250	I152-L236 HydrophobicContact CD1-CD2 4.04Å; L229-L236 HydrophobicContact CB-CD2 3.62Å; L229-L236 HydrophobicContact CD1-CD2 3.76Å; L229-L236 HydrophobicContact CG-CD2 4.27Å; T231-L236 HydrophobicContact CG2-CD2 4.27Å; L236-H240 HydrophobicContact CB-CB 4.16Å; L236-H240 HydrophobicContact CD1-CB 3.74Å; L236-F247 HydrophobicContact CD1-CD1 4.23Å; L236-F247 HydrophobicContact CD1-CE1 4.09Å; L236-A250 HydrophobicContact CD1-CB 4.19Å
237	V	94.4	Very high	94.3	Very high	8 Å²	8	49.7 Å²	49.7	5%	0.048	24%	0.239	C	C	.	.	S	Bend	trans	-89.5	-29.8	-177.7	177.1	0	0	0	0	111.9	I144 G171 E172 P230	I144-V237 HydrophobicContact CD1-CG1 4.36Å; I144-V237 HydrophobicContact CD1-CG2 3.86Å; G171-V237 WeakPolarHBondContact CA-O 3.48Å; E172-V237 HydrophobicContact CB-CG1 4.17Å; E172-V237 HydrophobicContact CG-CG1 4.3Å; E172-V237 PolarHBondContact N-O 3.21Å; P230-V237 PolarHBondContact O-N 3.3Å
238	Y	95	Very high	94.2	Very high	10 Å²	10	49.7 Å²	49.7	4%	0.039	24%	0.239	C	C	.	.	S	Bend	trans	-107.3	-145.5	-176.6	-54.8	-45.6	0	0	0	110.5	L134 G171 L173 P230 H240 E253 Y263	L134-Y238 HydrophobicContact CD2-CE2 3.89Å; G171-Y238 WeakPolarHBondContact CA-O 3.38Å; L173-Y238 HydrophobicContact CB-CD1 3.62Å; L173-Y238 HydrophobicContact CB-CE1 3.93Å; L173-Y238 HydrophobicContact CB-CG 4.46Å; L173-Y238 HydrophobicContact CD2-CD1 4.34Å; L173-Y238 HydrophobicContact CD2-CE1 4.43Å; P230-Y238 HydrophobicContact CB-CD2 4.04Å; P230-Y238 HydrophobicContact CB-CE2 3.83Å; P230-Y238 HydrophobicContact CG-CD2 3.9Å; P230-Y238 HydrophobicContact CG-CE2 3.72Å; Y238-H240 PolarHBondContact O-N 3.31Å; Y238-H240 PolarHBondContact O-ND1 3.39Å; Y238-H240 VanDerWaalsContact O-ND1 3.11Å; Y238-E253 WeakPolarHBondContact CB-OE2 3.45Å; Y238-Y263 AromaticContact CD2-CD1 3.41Å; Y238-Y263 HydrophobicContact CD2-CD1 3.41Å; Y238-Y263 VanDerWaalsContact CD2-CD1 3.41Å; Y238-Y263 HydrophobicContact CD2-CD2 4.42Å; Y238-Y263 AromaticContact CD2-CE1 3.36Å; Y238-Y263 HydrophobicContact CD2-CE1 3.36Å; Y238-Y263 HydrophobicContact CD2-CE2 4.37Å; Y238-Y263 AromaticContact CD2-CG 3.96Å; Y238-Y263 HydrophobicContact CD2-CG 3.96Å; Y238-Y263 AromaticContact CD2-CZ 3.84Å; Y238-Y263 AromaticContact CE2-CD1 3.41Å; Y238-Y263 HydrophobicContact CE2-CD1 3.41Å; Y238-Y263 VanDerWaalsContact CE2-CD1 3.41Å; Y238-Y263 AromaticContact CE2-CD2 3.83Å; Y238-Y263 HydrophobicContact CE2-CD2 3.83Å; Y238-Y263 AromaticContact CE2-CE1 3.75Å; Y238-Y263 HydrophobicContact CE2-CE1 3.75Å; Y238-Y263 HydrophobicContact CE2-CE2 4.12Å; Y238-Y263 AromaticContact CE2-CG 3.44Å; Y238-Y263 HydrophobicContact CE2-CG 3.44Å; Y238-Y263 VanDerWaalsContact CE2-CG 3.44Å; Y238-Y263 HydrophobicContact CG-CD1 4.2Å; Y238-Y263 HydrophobicContact CG-CE1 4.25Å
239	I	94.8	Very high	94.1	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.01	23%	0.228	C	C	.	.			trans	-55	142.1	-178.5	-163.6	179.8	0	0	0	112	V168 R169 L179 I182 S249 A250 E253	V168-I239 HydrophobicContact CB-CD1 4.37Å; V168-I239 HydrophobicContact CG1-CD1 3.77Å; V168-I239 HydrophobicContact CG1-CG1 4.47Å; R169-I239 WeakPolarHBondContact O-CA 3.48Å; L179-I239 HydrophobicContact CD2-CB 4.44Å; L179-I239 HydrophobicContact CD2-CD1 4.19Å; L179-I239 HydrophobicContact CD2-CG1 3.97Å; L179-I239 HydrophobicContact CG-CD1 3.91Å; L179-I239 HydrophobicContact CG-CG1 4.22Å; I182-I239 HydrophobicContact CD1-CD1 4.05Å; I239-S249 WeakPolarHBondContact CG2-O 3.35Å; I239-A250 VanDerWaalsContact CG2-CA 3.41Å; I239-A250 HydrophobicContact CG2-CB 4.24Å; I239-E253 VanDerWaalsContact CB-OE1 3.3Å; I239-E253 WeakPolarHBondContact CB-OE1 3.43Å; I239-E253 HydrophobicContact CG2-CB 3.54Å; I239-E253 HydrophobicContact CG2-CG 4.05Å; I239-E253 WeakPolarHBondContact CG2-OE1 2.92Å; I239-E253 WeakPolarHBondContact CG2-OE2 3.47Å; I239-E253 PolarHBondContact N-OE1 3.2Å; I239-E253 VanDerWaalsContact N-OE1 3.15Å; I239-E253 PolarHBondContact N-OE2 2.93Å
240	H	93.9	Very high	94.1	Very high	57 Å²	57	46.8 Å²	46.8	26%	0.264	23%	0.228	S	C	.	.	B	Isolated β-bridge	trans	-151.4	159	175.3	56.6	-77.7	0	0	0	111.1	D167 R169 L236 Y238	D167-H240 CarbonylContact O-C 3.53Å; R169-H240 WeakPolarHBondContact CB-O 3.36Å; R169-H240 PolarHBondContact N-O 3.45Å; R169-H240 PolarHBondContact O-N 3.14Å; L236-H240 HydrophobicContact CB-CB 4.16Å; L236-H240 HydrophobicContact CD1-CB 3.74Å; Y238-H240 PolarHBondContact O-N 3.31Å; Y238-H240 PolarHBondContact O-ND1 3.39Å; Y238-H240 VanDerWaalsContact O-ND1 3.11Å
241	S	92.6	Very high	94.1	Very high	7 Å²	7	46.6 Å²	46.6	5%	0.049	23%	0.227	C	C	.	.			trans	-82.3	158.2	174	-179.4	0	0	0	0	111.4	D167 E243 E246	D167-S241 WeakPolarHBondContact CA-OG 3.4Å; D167-S241 WeakPolarHBondContact O-CA 3.48Å; S241-E243 WeakPolarHBondContact CB-O 3.19Å; S241-E243 PolarHBondContact OG-N 3.27Å; S241-E243 VanDerWaalsContact OG-N 3.12Å; S241-E246 WeakPolarHBondContact CB-OE2 3.43Å; S241-E246 PolarHBondContact OG-OE2 2.88Å
242	T	87	Confident	94.1	Very high	76 Å²	76	46.6 Å²	46.6	47%	0.466	23%	0.227	S	C	.	.	S	Bend	trans	-61.9	-37.3	165.9	-56.6	0	0	0	0	110.4	F166 R169 K244	F166-T242 PolarHBondContact O-OG1 2.79Å; R169-T242 WeakPolarHBondContact CD-OG1 3.29Å; T242-K244 PolarHBondContact O-N 2.93Å
243	E	90.1	Very high	94.3	Very high	108 Å²	108	42.6 Å²	42.6	51%	0.505	21%	0.212	S	C	.	.	S	Bend	trans	-79.8	113.4	172	-66.4	-60.9	160.5	0	0	110	S241 N245 E246	S241-E243 WeakPolarHBondContact CB-O 3.19Å; S241-E243 PolarHBondContact OG-N 3.27Å; S241-E243 VanDerWaalsContact OG-N 3.12Å; E243-N245 PolarHBondContact O-N 2.89Å; E243-E246 HydrophobicContact CB-CB 4.21Å; E243-E246 PolarHBondContact O-N 3.09Å; E243-E246 VanDerWaalsContact O-N 3.08Å
244	K	90.4	Very high	94.5	Very high	182 Å²	182	35.6 Å²	35.6	79%	0.791	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-12.6	-171.4	-68.8	-173.6	177.5	-179.2	0	114.7	T242	T242-K244 PolarHBondContact O-N 2.93Å
245	N	93.9	Very high	94.8	Very high	45 Å²	45	29.3 Å²	29.3	24%	0.241	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	3	178.8	68	-45	0	0	0	113.3	N155 E157 E243 F247	N155-N245 WeakPolarHBondContact O-CB 3.41Å; E157-N245 PolarHBondContact N-O 2.86Å; E157-N245 VanDerWaalsContact O-O 3.13Å; E243-N245 PolarHBondContact O-N 2.89Å; N245-F247 VanDerWaalsContact C-CE2 3.5Å; N245-F247 VanDerWaalsContact O-CD2 3.27Å; N245-F247 WeakPolarHBondContact O-CD2 3.32Å; N245-F247 WeakPolarHBondContact O-CE2 3.11Å
246	E	95.2	Very high	94.9	Very high	3 Å²	3	25.7 Å²	25.7	1%	0.014	13%	0.126	C	C	.	.	B	Isolated β-bridge	trans	-101.5	135.5	179.3	-172.3	-179.7	-131.5	0	0	112.3	E157 F158 I159 T160 D167 S241 E243	E157-E246 WeakPolarHBondContact O-CA 3.47Å; F158-E246 WeakPolarHBondContact O-CG 3.07Å; I159-E246 WeakPolarHBondContact CA-OE1 3.29Å; T160-E246 HydrophobicContact CG2-CB 4.07Å; T160-E246 HydrophobicContact CG2-CG 4.46Å; T160-E246 PolarHBondContact N-OE1 3.43Å; T160-E246 VanDerWaalsContact OG1-CD 3.25Å; T160-E246 PolarHBondContact OG1-OE1 3.05Å; D167-E246 VanDerWaalsContact CB-OE2 3.28Å; D167-E246 WeakPolarHBondContact CB-OE2 3.4Å; S241-E246 WeakPolarHBondContact CB-OE2 3.43Å; S241-E246 PolarHBondContact OG-OE2 2.88Å; E243-E246 HydrophobicContact CB-CB 4.21Å; E243-E246 PolarHBondContact O-N 3.09Å; E243-E246 VanDerWaalsContact O-N 3.08Å
247	F	96.4	Very high	94.9	Very high	1 Å²	1	24 Å²	24	0%	0.004	12%	0.117	C	C	.	.			trans	-132.1	-0.3	-168.6	-66.8	-88.9	0	0	0	116.4	P149 I152 C153 P156 E157 F158 F202 L229 L236 N245 S249 A250 L251	P149-F247 HydrophobicContact CB-CD1 4.02Å; P149-F247 HydrophobicContact CB-CD2 3.79Å; P149-F247 HydrophobicContact CB-CE1 3.98Å; P149-F247 HydrophobicContact CB-CE2 3.77Å; P149-F247 HydrophobicContact CB-CG 3.92Å; P149-F247 HydrophobicContact CB-CZ 3.87Å; P149-F247 HydrophobicContact CG-CB 4.34Å; P149-F247 HydrophobicContact CG-CD1 3.85Å; P149-F247 HydrophobicContact CG-CD2 4.26Å; P149-F247 HydrophobicContact CG-CE1 4.19Å; P149-F247 HydrophobicContact CG-CG 3.88Å; I152-F247 HydrophobicContact CB-CZ 4.46Å; I152-F247 HydrophobicContact CD1-CE1 4.17Å; I152-F247 HydrophobicContact CG2-CE1 4.47Å; I152-F247 HydrophobicContact CG2-CZ 4.35Å; C153-F247 VanDerWaalsContact SG-CE2 3.57Å; P156-F247 HydrophobicContact CB-CD2 4.01Å; P156-F247 HydrophobicContact CB-CE2 3.77Å; E157-F247 PolarHBondContact O-N 3.47Å; F158-F247 PolarHBondContact O-N 3.31Å; F202-F247 HydrophobicContact CE2-CB 4.09Å; F202-F247 HydrophobicContact CE2-CD2 4.33Å; F202-F247 HydrophobicContact CZ-CB 4Å; L229-F247 HydrophobicContact CD1-CD1 3.76Å; L229-F247 HydrophobicContact CD1-CE1 4.41Å; L236-F247 HydrophobicContact CD1-CD1 4.23Å; L236-F247 HydrophobicContact CD1-CE1 4.09Å; N245-F247 VanDerWaalsContact C-CE2 3.5Å; N245-F247 VanDerWaalsContact O-CD2 3.27Å; N245-F247 WeakPolarHBondContact O-CD2 3.32Å; N245-F247 WeakPolarHBondContact O-CE2 3.11Å; F247-S249 VanDerWaalsContact C-N 3.29Å; F247-S249 PolarHBondContact O-N 3.05Å; F247-A250 PolarHBondContact O-N 2.86Å; F247-L251 HydrophobicContact CB-CD1 4.49Å; F247-L251 WeakPolarHBondContact O-CG 3.41Å; F247-L251 PolarHBondContact O-N 3.24Å; F247-L251 VanDerWaalsContact O-N 3.08Å
248	W	96	Very high	94.9	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-58.3	-40.9	-178.1	71.9	-92	0	0	0	112.7	F158 I159 A163 D167 V168 I182 F192 V196 L251 L252	F158-W248 HydrophobicContact CD1-CB 4.41Å; F158-W248 HydrophobicContact CD2-CB 4.11Å; F158-W248 HydrophobicContact CE1-CB 4.16Å; F158-W248 HydrophobicContact CE2-CB 3.84Å; F158-W248 HydrophobicContact CG-CB 4.39Å; F158-W248 HydrophobicContact CZ-CB 3.86Å; F158-W248 VanDerWaalsContact O-CB 3.26Å; F158-W248 WeakPolarHBondContact O-CB 3.33Å; F158-W248 PolarHBondContact O-N 3.39Å; I159-W248 HydrophobicContact CG1-CB 3.81Å; I159-W248 HydrophobicContact CG1-CG 3.76Å; A163-W248 HydrophobicContact CB-CZ2 4.38Å; D167-W248 HydrophobicContact CB-CZ2 3.77Å; D167-W248 PolarHBondContact OD2-NE1 3.21Å; V168-W248 HydrophobicContact CG2-CH2 4.16Å; V168-W248 HydrophobicContact CG2-CZ2 4.42Å; I182-W248 HydrophobicContact CG2-CH2 3.59Å; I182-W248 HydrophobicContact CG2-CZ3 3.68Å; F192-W248 HydrophobicContact CD2-CH2 4.49Å; F192-W248 HydrophobicContact CD2-CZ3 4.48Å; F192-W248 HydrophobicContact CE2-CD2 4.09Å; F192-W248 AromaticContact CE2-CE3 3.71Å; F192-W248 HydrophobicContact CE2-CE3 3.71Å; F192-W248 AromaticContact CE2-CH2 3.65Å; F192-W248 HydrophobicContact CE2-CH2 3.65Å; F192-W248 HydrophobicContact CE2-CZ2 4.01Å; F192-W248 AromaticContact CE2-CZ3 3.51Å; F192-W248 HydrophobicContact CE2-CZ3 3.51Å; F192-W248 HydrophobicContact CZ-CD2 4.04Å; F192-W248 AromaticContact CZ-CE3 3.98Å; F192-W248 HydrophobicContact CZ-CE3 3.98Å; F192-W248 HydrophobicContact CZ-CZ3 4.25Å; V196-W248 HydrophobicContact CG2-CE3 4.26Å; W248-L251 PolarHBondContact O-N 2.72Å; W248-L252 HydrophobicContact CE3-CD2 4.28Å; W248-L252 HydrophobicContact CZ3-CD2 3.77Å; W248-L252 WeakPolarHBondContact O-CB 3.18Å; W248-L252 PolarHBondContact O-N 3.41Å
249	S	96.1	Very high	94.8	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-68.1	-42	-176.4	60.4	0	0	0	0	111.4	D167 I239 F247 L251 L252 E253	D167-S249 WeakPolarHBondContact O-CB 3.14Å; D167-S249 PolarHBondContact O-OG 3.36Å; I239-S249 WeakPolarHBondContact CG2-O 3.35Å; F247-S249 VanDerWaalsContact C-N 3.29Å; F247-S249 PolarHBondContact O-N 3.05Å; S249-L251 PolarHBondContact O-N 3.21Å; S249-L252 PolarHBondContact O-N 3.16Å; S249-E253 PolarHBondContact O-N 3.03Å
250	A	97	Very high	94.7	Very high	2 Å²	2	25.6 Å²	25.6	2%	0.017	13%	0.126	C	C	.	.	H	α-helix	trans	-62.2	-40.1	174	0	0	0	0	0	113	L229 L236 I239 F247 K254	L229-A250 HydrophobicContact CD1-CB 3.8Å; L229-A250 HydrophobicContact CD2-CB 4.01Å; L236-A250 HydrophobicContact CD1-CB 4.19Å; I239-A250 VanDerWaalsContact CG2-CA 3.41Å; I239-A250 HydrophobicContact CG2-CB 4.24Å; F247-A250 PolarHBondContact O-N 2.86Å; A250-K254 PolarHBondContact O-N 2.93Å; A250-K254 VanDerWaalsContact O-N 3.1Å
251	L	97.7	Very high	94.6	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-73.7	-34.4	177.4	-68.3	172.1	0	0	0	112.3	F158 F202 F210 F212 D227 L229 F247 W248 S249 K254 A255	F158-L251 HydrophobicContact CD2-CD1 4.15Å; F158-L251 HydrophobicContact CE2-CD1 3.99Å; F202-L251 HydrophobicContact CZ-CD1 4Å; F210-L251 HydrophobicContact CB-CD1 4.49Å; F210-L251 HydrophobicContact CD1-CD1 3.9Å; F210-L251 HydrophobicContact CD2-CD1 3.99Å; F210-L251 HydrophobicContact CE1-CD1 4.11Å; F210-L251 HydrophobicContact CE2-CD1 4.2Å; F210-L251 HydrophobicContact CG-CD1 3.85Å; F210-L251 HydrophobicContact CZ-CD1 4.27Å; F212-L251 HydrophobicContact CE2-CB 3.84Å; F212-L251 WeakPolarHBondContact CE2-O 3.44Å; F212-L251 HydrophobicContact CZ-CB 3.57Å; D227-L251 HydrophobicContact CB-CD2 3.97Å; L229-L251 HydrophobicContact CD1-CD2 4.41Å; L229-L251 HydrophobicContact CD2-CD2 4.07Å; L229-L251 HydrophobicContact CG-CD2 4.31Å; F247-L251 HydrophobicContact CB-CD1 4.49Å; F247-L251 WeakPolarHBondContact O-CG 3.41Å; F247-L251 PolarHBondContact O-N 3.24Å; F247-L251 VanDerWaalsContact O-N 3.08Å; W248-L251 PolarHBondContact O-N 2.72Å; S249-L251 PolarHBondContact O-N 3.21Å; L251-K254 WeakPolarHBondContact O-CB 3.49Å; L251-K254 PolarHBondContact O-N 3.3Å; L251-A255 WeakPolarHBondContact O-CB 3.34Å; L251-A255 PolarHBondContact O-N 3.47Å
252	L	97.5	Very high	94.7	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-63.2	-48.5	174.6	179.7	67.7	0	0	0	111	I182 V195 V196 F212 F214 W248 S249 K254 A255 Y256	I182-L252 HydrophobicContact CD1-CD2 4.04Å; I182-L252 HydrophobicContact CG1-CD2 3.91Å; I182-L252 HydrophobicContact CG2-CD2 3.9Å; V195-L252 HydrophobicContact CG1-CD1 3.73Å; V196-L252 HydrophobicContact CG2-CD1 4.24Å; V196-L252 HydrophobicContact CG2-CD2 4.32Å; F212-L252 HydrophobicContact CB-CD1 4.23Å; F212-L252 HydrophobicContact CD1-CB 4.16Å; F212-L252 HydrophobicContact CD1-CD1 3.4Å; F212-L252 VanDerWaalsContact CD1-CD1 3.4Å; F212-L252 HydrophobicContact CD1-CG 4.4Å; F212-L252 HydrophobicContact CE1-CB 3.82Å; F212-L252 HydrophobicContact CE1-CD1 3.95Å; F212-L252 HydrophobicContact CG-CD1 3.94Å; F212-L252 HydrophobicContact CZ-CB 4.28Å; F214-L252 HydrophobicContact CE1-CD1 3.62Å; F214-L252 HydrophobicContact CZ-CD1 3.67Å; W248-L252 HydrophobicContact CE3-CD2 4.28Å; W248-L252 HydrophobicContact CZ3-CD2 3.77Å; W248-L252 WeakPolarHBondContact O-CB 3.18Å; W248-L252 PolarHBondContact O-N 3.41Å; S249-L252 PolarHBondContact O-N 3.16Å; L252-K254 VanDerWaalsContact C-N 3.29Å; L252-K254 PolarHBondContact O-N 2.85Å; L252-A255 PolarHBondContact O-N 2.86Å; L252-Y256 WeakPolarHBondContact O-CB 3.31Å; L252-Y256 PolarHBondContact O-N 2.89Å
253	E	97.8	Very high	95.1	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.009	11%	0.107	C	C	.	.	H	α-helix	trans	-59.7	-41	175.2	-178.1	-160.9	-112.8	0	0	111	L178 Y238 I239 S249 A255 Y256 A257 Y263 L266	L178-E253 HydrophobicContact CD2-CG 4.3Å; Y238-E253 WeakPolarHBondContact CB-OE2 3.45Å; I239-E253 VanDerWaalsContact CB-OE1 3.3Å; I239-E253 WeakPolarHBondContact CB-OE1 3.43Å; I239-E253 HydrophobicContact CG2-CB 3.54Å; I239-E253 HydrophobicContact CG2-CG 4.05Å; I239-E253 WeakPolarHBondContact CG2-OE1 2.92Å; I239-E253 WeakPolarHBondContact CG2-OE2 3.47Å; I239-E253 PolarHBondContact N-OE1 3.2Å; I239-E253 VanDerWaalsContact N-OE1 3.15Å; I239-E253 PolarHBondContact N-OE2 2.93Å; S249-E253 PolarHBondContact O-N 3.03Å; E253-A255 PolarHBondContact O-N 3.46Å; E253-Y256 PolarHBondContact O-N 2.82Å; E253-A257 VanDerWaalsContact O-CB 3.32Å; E253-A257 WeakPolarHBondContact O-CB 3.23Å; E253-A257 PolarHBondContact O-N 3.33Å; E253-Y263 HydrophobicContact CG-CE1 4.07Å; E253-Y263 WeakPolarHBondContact OE2-CE1 3.38Å; E253-L266 HydrophobicContact CG-CD1 4.23Å
254	K	97.7	Very high	95.3	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-59.9	-46	173.7	-173.2	179.8	172.9	-178.6	0	112.6	F127 V225 D226 R228 L229 A250 L251 L252 Y256 A257 K258 Y263	F127-K254 HydrophobicContact CD1-CG 4.34Å; F127-K254 HydrophobicContact CE1-CG 4.08Å; V225-K254 HydrophobicContact CB-CD 4.36Å; V225-K254 HydrophobicContact CG1-CG 4.36Å; D226-K254 PolarHBondContact O-NZ 2.86Å; D226-K254 IonicContact OD1-NZ 3.62Å; D226-K254 PolarHBondContact OD1-NZ 2.88Å; R228-K254 WeakPolarHBondContact O-CE 3.33Å; R228-K254 PolarHBondContact O-NZ 3.18Å; L229-K254 HydrophobicContact CD2-CB 4.4Å; L229-K254 HydrophobicContact CD2-CD 4.27Å; A250-K254 PolarHBondContact O-N 2.93Å; A250-K254 VanDerWaalsContact O-N 3.1Å; L251-K254 WeakPolarHBondContact O-CB 3.49Å; L251-K254 PolarHBondContact O-N 3.3Å; L252-K254 VanDerWaalsContact C-N 3.29Å; L252-K254 PolarHBondContact O-N 2.85Å; K254-Y256 VanDerWaalsContact C-N 3.3Å; K254-Y256 PolarHBondContact O-N 2.73Å; K254-A257 WeakPolarHBondContact O-CB 3.28Å; K254-A257 PolarHBondContact O-N 3.25Å; K254-K258 PolarHBondContact O-N 3.04Å; K254-Y263 WeakPolarHBondContact CA-OH 3.24Å; K254-Y263 WeakPolarHBondContact CB-OH 3.44Å; K254-Y263 HydrophobicContact CG-CE2 4.5Å; K254-Y263 WeakPolarHBondContact CG-OH 3.01Å
255	A	97	Very high	95.4	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-64.3	-38.9	179.1	0	0	0	0	0	111.4	F212 F214 V223 V225 L251 L252 E253 K258 L259	F212-A255 HydrophobicContact CB-CB 4.14Å; F212-A255 HydrophobicContact CD2-CB 3.38Å; F212-A255 HydrophobicContact CE2-CB 4.07Å; F212-A255 HydrophobicContact CG-CB 3.98Å; F214-A255 HydrophobicContact CE2-CB 3.82Å; F214-A255 HydrophobicContact CZ-CB 4Å; V223-A255 HydrophobicContact CG1-CB 4.06Å; V225-A255 HydrophobicContact CG1-CB 3.93Å; V225-A255 HydrophobicContact CG2-CB 4.24Å; L251-A255 WeakPolarHBondContact O-CB 3.34Å; L251-A255 PolarHBondContact O-N 3.47Å; L252-A255 PolarHBondContact O-N 2.86Å; E253-A255 PolarHBondContact O-N 3.46Å; A255-K258 WeakPolarHBondContact O-CB 3.2Å; A255-K258 PolarHBondContact O-N 2.78Å; A255-L259 PolarHBondContact O-N 3.42Å
256	Y	96.6	Very high	95.4	Very high	2 Å²	2	6.1 Å²	6.1	1%	0.008	4%	0.04	C	C	.	.	H	α-helix	trans	-68.9	-38.4	175.2	-162.5	-99.4	0	0	0	112.3	W177 L178 F214 L252 E253 K254 K258 L259 C260 L266 D277 F278	W177-Y256 AromaticContact CH2-CE1 3.73Å; W177-Y256 HydrophobicContact CH2-CE1 3.73Å; W177-Y256 HydrophobicContact CZ2-CE1 4.39Å; W177-Y256 HydrophobicContact CZ3-CE1 4.47Å; L178-Y256 HydrophobicContact CD1-CD1 3.7Å; L178-Y256 HydrophobicContact CD1-CE1 3.77Å; L178-Y256 HydrophobicContact CD1-CG 4.11Å; L178-Y256 HydrophobicContact CD2-CD1 3.64Å; L178-Y256 HydrophobicContact CD2-CE1 4.24Å; L178-Y256 HydrophobicContact CD2-CG 4.33Å; L178-Y256 HydrophobicContact CG-CD1 4.32Å; F214-Y256 AromaticContact CD1-CD2 3.88Å; F214-Y256 HydrophobicContact CD1-CD2 3.88Å; F214-Y256 HydrophobicContact CD1-CE2 4.44Å; F214-Y256 AromaticContact CE1-CD2 3.74Å; F214-Y256 HydrophobicContact CE1-CD2 3.74Å; F214-Y256 HydrophobicContact CE1-CG 4.49Å; F214-Y256 HydrophobicContact CG-CD2 4.34Å; F214-Y256 HydrophobicContact CZ-CD2 4.07Å; L252-Y256 WeakPolarHBondContact O-CB 3.31Å; L252-Y256 PolarHBondContact O-N 2.89Å; E253-Y256 PolarHBondContact O-N 2.82Å; K254-Y256 VanDerWaalsContact C-N 3.3Å; K254-Y256 PolarHBondContact O-N 2.73Å; Y256-K258 VanDerWaalsContact C-N 3.33Å; Y256-K258 PolarHBondContact O-N 2.91Å; Y256-L259 HydrophobicContact CD2-CD2 4.48Å; Y256-L259 HydrophobicContact CE2-CD2 4.49Å; Y256-L259 WeakPolarHBondContact O-CB 3.39Å; Y256-L259 PolarHBondContact O-N 2.74Å; Y256-C260 PolarHBondContact O-N 3.05Å; Y256-C260 PolarHBondContact O-SG 3.36Å; Y256-L266 HydrophobicContact CD1-CD1 4.37Å; Y256-L266 HydrophobicContact CD1-CD2 3.49Å; Y256-L266 VanDerWaalsContact CD1-CD2 3.49Å; Y256-L266 HydrophobicContact CE1-CD2 3.77Å; Y256-D277 HydrophobicContact CE2-CB 3.87Å; Y256-D277 WeakPolarHBondContact CE2-OD2 3.41Å; Y256-D277 PolarHBondContact OH-OD2 2.87Å; Y256-F278 HydrophobicContact CD2-CE1 4.23Å; Y256-F278 HydrophobicContact CE2-CE1 4.41Å
257	A	95.9	Very high	95.1	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-60.7	-41.1	171.3	0	0	0	0	0	111.7	F127 E253 K254 C260 G261 S262 Y263 L266	F127-A257 HydrophobicContact CZ-CB 4.02Å; E253-A257 VanDerWaalsContact O-CB 3.32Å; E253-A257 WeakPolarHBondContact O-CB 3.23Å; E253-A257 PolarHBondContact O-N 3.33Å; K254-A257 WeakPolarHBondContact O-CB 3.28Å; K254-A257 PolarHBondContact O-N 3.25Å; A257-C260 CarbonylContact O-C 3.57Å; A257-C260 PolarHBondContact O-N 2.88Å; A257-G261 CarbonylContact O-C 3.49Å; A257-G261 PolarHBondContact O-N 2.86Å; A257-S262 PolarHBondContact O-N 2.78Å; A257-Y263 HydrophobicContact CB-CD1 3.9Å; A257-Y263 HydrophobicContact CB-CD2 4.12Å; A257-Y263 HydrophobicContact CB-CE1 4.07Å; A257-Y263 HydrophobicContact CB-CE2 4.3Å; A257-Y263 HydrophobicContact CB-CG 3.94Å; A257-L266 HydrophobicContact CB-CD1 3.76Å; A257-L266 HydrophobicContact CB-CG 4.31Å
258	K	95.1	Very high	94.7	Very high	19 Å²	19	13.7 Å²	13.7	8%	0.083	8%	0.083	C	C	.	.	H	α-helix	trans	-60.9	-46.8	173.2	173.3	176.3	177	172.5	0	111.5	D124 E126 F127 V223 V224 V225 K254 A255 Y256 C260 G261	D124-K258 VanDerWaalsContact CG-NZ 3.33Å; D124-K258 IonicContact OD1-NZ 3.24Å; D124-K258 PolarHBondContact OD1-NZ 3.14Å; D124-K258 WeakPolarHBondContact OD2-CD 3.33Å; D124-K258 WeakPolarHBondContact OD2-CE 3.27Å; D124-K258 IonicContact OD2-NZ 3.48Å; D124-K258 PolarHBondContact OD2-NZ 3.22Å; E126-K258 IonicContact OE2-NZ 3.51Å; F127-K258 HydrophobicContact CB-CB 4.19Å; F127-K258 HydrophobicContact CB-CD 3.86Å; F127-K258 HydrophobicContact CB-CG 3.93Å; F127-K258 HydrophobicContact CD1-CB 4.25Å; F127-K258 HydrophobicContact CD2-CB 3.8Å; F127-K258 HydrophobicContact CD2-CG 4.07Å; F127-K258 HydrophobicContact CE2-CB 4.17Å; F127-K258 HydrophobicContact CG-CB 3.82Å; F127-K258 HydrophobicContact CG-CD 4.43Å; F127-K258 HydrophobicContact CG-CG 4.07Å; V223-K258 HydrophobicContact CG1-CD 3.98Å; V223-K258 HydrophobicContact CG1-CG 4.34Å; V224-K258 WeakPolarHBondContact O-CD 3.2Å; V224-K258 PolarHBondContact O-NZ 2.69Å; V225-K258 HydrophobicContact CG1-CB 4.35Å; V225-K258 HydrophobicContact CG1-CD 3.88Å; K254-K258 PolarHBondContact O-N 3.04Å; A255-K258 WeakPolarHBondContact O-CB 3.2Å; A255-K258 PolarHBondContact O-N 2.78Å; Y256-K258 VanDerWaalsContact C-N 3.33Å; Y256-K258 PolarHBondContact O-N 2.91Å; K258-C260 VanDerWaalsContact C-N 3.28Å; K258-C260 PolarHBondContact O-N 2.58Å; K258-G261 PolarHBondContact O-N 3.3Å; K258-G261 VanDerWaalsContact O-N 3.13Å
259	L	92.7	Very high	94.3	Very high	24 Å²	24	15.4 Å²	15.4	13%	0.126	10%	0.1	C	C	.	.	H	α-helix	trans	-58.3	-42.7	177.2	-175.7	66.7	0	0	0	111.3	F214 V223 A255 Y256	F214-L259 HydrophobicContact CB-CD2 3.88Å; F214-L259 HydrophobicContact CD2-CD2 3.97Å; F214-L259 HydrophobicContact CG-CD2 4.07Å; V223-L259 HydrophobicContact CG2-CD1 4.24Å; A255-L259 PolarHBondContact O-N 3.42Å; Y256-L259 HydrophobicContact CD2-CD2 4.48Å; Y256-L259 HydrophobicContact CE2-CD2 4.49Å; Y256-L259 WeakPolarHBondContact O-CB 3.39Å; Y256-L259 PolarHBondContact O-N 2.74Å
260	C	92.1	Very high	94.1	Very high	10 Å²	10	16.5 Å²	16.5	7%	0.068	11%	0.107	C	C	.	.	H	α-helix	trans	-79	-15.7	177.9	-67.8	0	0	0	0	114.3	Y256 A257 K258 A265 L266 R493 K494	Y256-C260 PolarHBondContact O-N 3.05Å; Y256-C260 PolarHBondContact O-SG 3.36Å; A257-C260 CarbonylContact O-C 3.57Å; A257-C260 PolarHBondContact O-N 2.88Å; K258-C260 VanDerWaalsContact C-N 3.28Å; K258-C260 PolarHBondContact O-N 2.58Å; C260-A265 HydrophobicContact CB-CB 4.1Å; C260-L266 HydrophobicContact CB-CD2 3.75Å; C260-R493 HydrophobicContact CB-CB 4.47Å; C260-K494 VanDerWaalsContact O-CA 3.32Å; C260-K494 WeakPolarHBondContact O-CA 3.1Å
261	G	91.7	Very high	93.9	Very high	34 Å²	34	16.5 Å²	16.5	35%	0.351	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	104.2	-18	175.3	0	0	0	0	0	116.2	A257 K258	A257-G261 CarbonylContact O-C 3.49Å; A257-G261 PolarHBondContact O-N 2.86Å; K258-G261 PolarHBondContact O-N 3.3Å; K258-G261 VanDerWaalsContact O-N 3.13Å
262	S	94.3	Very high	93.6	Very high	4 Å²	4	16.7 Å²	16.7	3%	0.028	11%	0.108	C	C	.	.	S	Bend	trans	-170.4	165.1	173.6	60.3	0	0	0	0	110.7	S133 F136 A257 A265	S133-S262 CarbonylContact O-C 3.51Å; S133-S262 VanDerWaalsContact O-CA 3.29Å; S133-S262 WeakPolarHBondContact O-CA 3.34Å; S133-S262 WeakPolarHBondContact O-CB 3.46Å; F136-S262 WeakPolarHBondContact CD1-OG 3.34Å; A257-S262 PolarHBondContact O-N 2.78Å; S262-A265 WeakPolarHBondContact O-CB 3.36Å; S262-A265 PolarHBondContact O-N 3.23Å; S262-A265 WeakPolarHBondContact OG-CB 3.1Å; S262-A265 PolarHBondContact OG-N 3.42Å
263	Y	95.7	Very high	93.4	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	11%	0.109	C	C	.	.	S	Bend	trans	-62.3	-41.3	170.4	-79.8	-84.1	0	0	0	112.3	F127 S133 L134 W146 L173 P230 Y238 E253 K254 A257 A265 L266	F127-Y263 HydrophobicContact CE1-CD2 4.37Å; F127-Y263 AromaticContact CE1-CE2 4Å; F127-Y263 HydrophobicContact CE1-CE2 4Å; F127-Y263 HydrophobicContact CZ-CD2 4.16Å; F127-Y263 HydrophobicContact CZ-CE2 4.23Å; S133-Y263 WeakPolarHBondContact O-CD2 3.42Å; S133-Y263 PolarHBondContact O-N 3.15Å; L134-Y263 HydrophobicContact CD2-CD2 3.91Å; L134-Y263 HydrophobicContact CD2-CE2 4.38Å; W146-Y263 AromaticContact CH2-CE2 4Å; W146-Y263 HydrophobicContact CH2-CE2 4Å; L173-Y263 HydrophobicContact CD2-CD1 4.01Å; P230-Y263 HydrophobicContact CG-CD2 4.45Å; P230-Y263 HydrophobicContact CG-CE2 3.76Å; Y238-Y263 AromaticContact CD2-CD1 3.41Å; Y238-Y263 HydrophobicContact CD2-CD1 3.41Å; Y238-Y263 VanDerWaalsContact CD2-CD1 3.41Å; Y238-Y263 HydrophobicContact CD2-CD2 4.42Å; Y238-Y263 AromaticContact CD2-CE1 3.36Å; Y238-Y263 HydrophobicContact CD2-CE1 3.36Å; Y238-Y263 HydrophobicContact CD2-CE2 4.37Å; Y238-Y263 AromaticContact CD2-CG 3.96Å; Y238-Y263 HydrophobicContact CD2-CG 3.96Å; Y238-Y263 AromaticContact CD2-CZ 3.84Å; Y238-Y263 AromaticContact CE2-CD1 3.41Å; Y238-Y263 HydrophobicContact CE2-CD1 3.41Å; Y238-Y263 VanDerWaalsContact CE2-CD1 3.41Å; Y238-Y263 AromaticContact CE2-CD2 3.83Å; Y238-Y263 HydrophobicContact CE2-CD2 3.83Å; Y238-Y263 AromaticContact CE2-CE1 3.75Å; Y238-Y263 HydrophobicContact CE2-CE1 3.75Å; Y238-Y263 HydrophobicContact CE2-CE2 4.12Å; Y238-Y263 AromaticContact CE2-CG 3.44Å; Y238-Y263 HydrophobicContact CE2-CG 3.44Å; Y238-Y263 VanDerWaalsContact CE2-CG 3.44Å; Y238-Y263 HydrophobicContact CG-CD1 4.2Å; Y238-Y263 HydrophobicContact CG-CE1 4.25Å; E253-Y263 HydrophobicContact CG-CE1 4.07Å; E253-Y263 WeakPolarHBondContact OE2-CE1 3.38Å; K254-Y263 WeakPolarHBondContact CA-OH 3.24Å; K254-Y263 WeakPolarHBondContact CB-OH 3.44Å; K254-Y263 HydrophobicContact CG-CE2 4.5Å; K254-Y263 WeakPolarHBondContact CG-OH 3.01Å; A257-Y263 HydrophobicContact CB-CD1 3.9Å; A257-Y263 HydrophobicContact CB-CD2 4.12Å; A257-Y263 HydrophobicContact CB-CE1 4.07Å; A257-Y263 HydrophobicContact CB-CE2 4.3Å; A257-Y263 HydrophobicContact CB-CG 3.94Å; Y263-A265 PolarHBondContact O-N 3.35Å; Y263-L266 VanDerWaalsContact O-CB 3.3Å; Y263-L266 WeakPolarHBondContact O-CB 3.32Å; Y263-L266 PolarHBondContact O-N 2.89Å
264	E	94.3	Very high	93.2	Very high	26 Å²	26	16.7 Å²	16.7	12%	0.121	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-59.3	-29.7	176.9	-177.8	176.1	-151.8	0	0	112.8	L134 Y135 F136 S137 L266 K267	L134-E264 VanDerWaalsContact O-CB 3.3Å; L134-E264 WeakPolarHBondContact O-CB 3.35Å; L134-E264 PolarHBondContact O-N 3.31Å; Y135-E264 VanDerWaalsContact CA-OE2 3.28Å; Y135-E264 WeakPolarHBondContact CA-OE2 3.48Å; Y135-E264 WeakPolarHBondContact CB-OE2 3.29Å; Y135-E264 HydrophobicContact CD1-CB 4.03Å; Y135-E264 HydrophobicContact CD1-CG 4.05Å; Y135-E264 HydrophobicContact CG-CB 4.41Å; F136-E264 HydrophobicContact CD1-CB 4.02Å; F136-E264 HydrophobicContact CD1-CG 4.07Å; F136-E264 WeakPolarHBondContact CD1-OE2 3.17Å; F136-E264 HydrophobicContact CE1-CB 3.9Å; F136-E264 HydrophobicContact CE1-CG 3.6Å; F136-E264 HydrophobicContact CZ-CG 4.05Å; F136-E264 PolarHBondContact N-OE2 3.48Å; S137-E264 WeakPolarHBondContact CB-OE1 3.45Å; S137-E264 PolarHBondContact N-OE2 2.87Å; S137-E264 VanDerWaalsContact OG-CD 3.29Å; S137-E264 PolarHBondContact OG-OE1 3.27Å; S137-E264 PolarHBondContact OG-OE2 3.44Å; E264-L266 PolarHBondContact O-N 2.88Å; E264-K267 VanDerWaalsContact O-CB 3.26Å; E264-K267 WeakPolarHBondContact O-CB 3.4Å; E264-K267 PolarHBondContact O-N 3.06Å; E264-K267 VanDerWaalsContact O-N 3.07Å
265	A	92.5	Very high	93	Very high	2 Å²	2	16.7 Å²	16.7	2%	0.017	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-65.7	-18.5	176.4	0	0	0	0	0	113.4	F136 C260 S262 Y263 K267 R493 R496	F136-A265 HydrophobicContact CE1-CB 4.37Å; C260-A265 HydrophobicContact CB-CB 4.1Å; S262-A265 WeakPolarHBondContact O-CB 3.36Å; S262-A265 PolarHBondContact O-N 3.23Å; S262-A265 WeakPolarHBondContact OG-CB 3.1Å; S262-A265 PolarHBondContact OG-N 3.42Å; Y263-A265 PolarHBondContact O-N 3.35Å; A265-K267 VanDerWaalsContact C-N 3.34Å; A265-R493 PolarHBondContact O-NH1 2.57Å; A265-R496 PolarHBondContact O-NH1 2.84Å
266	L	93.2	Very high	92.8	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	-81.4	-12.8	175.2	-52.7	-174.6	0	0	0	112.9	L173 D175 W177 L178 E253 Y256 A257 C260 Y263 E264 G268	L173-L266 HydrophobicContact CD2-CB 4.22Å; L173-L266 HydrophobicContact CD2-CD1 4.46Å; D175-L266 HydrophobicContact CB-CB 3.99Å; D175-L266 WeakPolarHBondContact CB-O 3.35Å; W177-L266 PolarHBondContact NE1-O 3.08Å; L178-L266 HydrophobicContact CD2-CD1 3.84Å; E253-L266 HydrophobicContact CG-CD1 4.23Å; Y256-L266 HydrophobicContact CD1-CD1 4.37Å; Y256-L266 HydrophobicContact CD1-CD2 3.49Å; Y256-L266 VanDerWaalsContact CD1-CD2 3.49Å; Y256-L266 HydrophobicContact CE1-CD2 3.77Å; A257-L266 HydrophobicContact CB-CD1 3.76Å; A257-L266 HydrophobicContact CB-CG 4.31Å; C260-L266 HydrophobicContact CB-CD2 3.75Å; Y263-L266 VanDerWaalsContact O-CB 3.3Å; Y263-L266 WeakPolarHBondContact O-CB 3.32Å; Y263-L266 PolarHBondContact O-N 2.89Å; E264-L266 PolarHBondContact O-N 2.88Å; L266-G268 PolarHBondContact O-N 3.4Å; L266-G268 VanDerWaalsContact O-N 3.17Å
267	K	90.5	Very high	92.6	Very high	129 Å²	129	17 Å²	17	56%	0.561	11%	0.11	S	C	*	.	S	Bend	trans	-63.8	118.7	179.2	-171.1	178.1	-179.4	178.4	0	110.8	E264 A265 R496	E264-K267 VanDerWaalsContact O-CB 3.26Å; E264-K267 WeakPolarHBondContact O-CB 3.4Å; E264-K267 PolarHBondContact O-N 3.06Å; E264-K267 VanDerWaalsContact O-N 3.07Å; A265-K267 VanDerWaalsContact C-N 3.34Å; K267-R496 PolarHBondContact O-NH1 3.41Å
268	G	87.3	Confident	92.4	Very high	34 Å²	34	17 Å²	17	35%	0.351	11%	0.11	S	C	.	.	S	Bend	trans	70.1	134.4	-179.4	0	0	0	0	0	114.1	G174 L266 R493	G174-G268 PolarHBondContact O-N 2.98Å; L266-G268 PolarHBondContact O-N 3.4Å; L266-G268 VanDerWaalsContact O-N 3.17Å; G268-R493 PolarHBondContact O-NH1 3.1Å; G268-R493 PolarHBondContact O-NH2 2.81Å
269	G	88.6	Confident	92.1	Very high	36 Å²	36	16.8 Å²	16.8	37%	0.371	11%	0.11	S	C	.	.			trans	177.1	176.9	-178.7	0	0	0	0	0	111.9	W177	W177-G269 WeakPolarHBondContact CB-O 3.27Å
270	T	90.7	Very high	91.7	Very high	22 Å²	22	16.2 Å²	16.2	14%	0.135	11%	0.11	C	C	.	.			trans	-103.3	144.4	167.8	59	0	0	0	0	110.5	S272 E273 M285 L540	T270-S272 PolarHBondContact O-N 2.9Å; T270-S272 PolarHBondContact OG1-OG 2.93Å; T270-E273 PolarHBondContact N-OE1 3.46Å; T270-E273 VanDerWaalsContact N-OE1 3.09Å; T270-E273 WeakPolarHBondContact O-CB 3.39Å; T270-E273 PolarHBondContact O-N 3.43Å; T270-M285 HydrophobicContact CG2-CE 4.2Å; T270-L540 HydrophobicContact CG2-CD2 3.65Å
271	T	93.5	Very high	91.4	Very high	2 Å²	2	15.8 Å²	15.8	1%	0.012	11%	0.107	C	C	.	.	H	α-helix	trans	-59.7	-33.9	-176.1	-52.4	0	0	0	0	111.3	W177 A180 A181 E273 A274 L275 A311 A334 E416	W177-T271 WeakPolarHBondContact O-CG2 3.26Å; A180-T271 HydrophobicContact CB-CG2 3.9Å; A181-T271 HydrophobicContact CB-CG2 3.97Å; T271-E273 PolarHBondContact O-N 3.05Å; T271-E273 VanDerWaalsContact O-N 3.17Å; T271-A274 PolarHBondContact O-N 3.48Å; T271-A274 VanDerWaalsContact O-N 3.11Å; T271-L275 HydrophobicContact CG2-CD1 4.09Å; T271-L275 HydrophobicContact CG2-CG 4.13Å; T271-L275 WeakPolarHBondContact O-CG 3.1Å; T271-L275 PolarHBondContact O-N 3.03Å; T271-A311 HydrophobicContact CG2-CB 3.41Å; T271-A311 VanDerWaalsContact CG2-CB 3.41Å; T271-A334 WeakPolarHBondContact OG1-CB 3.42Å; T271-E416 PolarHBondContact N-OE2 3.47Å
272	S	91.6	Very high	91.1	Very high	5 Å²	5	14.1 Å²	14.1	4%	0.035	9%	0.091	C	C	.	.	H	α-helix	trans	-50	-36.6	173.8	67.9	0	0	0	0	113.7	T270 A274 L275 E276 S283 M285 E416	T270-S272 PolarHBondContact O-N 2.9Å; T270-S272 PolarHBondContact OG1-OG 2.93Å; S272-A274 PolarHBondContact O-N 2.7Å; S272-L275 PolarHBondContact O-N 2.97Å; S272-E276 WeakPolarHBondContact O-CB 3.25Å; S272-E276 VanDerWaalsContact O-CD 3.22Å; S272-E276 WeakPolarHBondContact O-CG 3.16Å; S272-E276 PolarHBondContact O-N 2.96Å; S272-S283 WeakPolarHBondContact CB-OG 3.44Å; S272-S283 PolarHBondContact O-OG 3.28Å; S272-M285 WeakPolarHBondContact OG-CE 3.38Å; S272-E416 VanDerWaalsContact CB-OE2 3.25Å; S272-E416 WeakPolarHBondContact CB-OE2 3.47Å; S272-E416 PolarHBondContact N-OE2 3.21Å
273	E	92.8	Very high	90.8	Very high	2 Å²	2	14.2 Å²	14.2	1%	0.009	9%	0.091	C	C	.	.	H	α-helix	trans	-62.1	-46.4	-179.9	-65.7	-179.9	-122.2	0	0	111.1	W177 T270 T271 D277 R493 R541	W177-E273 HydrophobicContact CE3-CB 4.24Å; W177-E273 HydrophobicContact CH2-CB 4.32Å; W177-E273 HydrophobicContact CZ3-CB 3.62Å; T270-E273 PolarHBondContact N-OE1 3.46Å; T270-E273 VanDerWaalsContact N-OE1 3.09Å; T270-E273 WeakPolarHBondContact O-CB 3.39Å; T270-E273 PolarHBondContact O-N 3.43Å; T271-E273 PolarHBondContact O-N 3.05Å; T271-E273 VanDerWaalsContact O-N 3.17Å; E273-D277 PolarHBondContact O-N 3.48Å; E273-D277 VanDerWaalsContact O-N 3.09Å; E273-R493 IonicContact OE1-CZ 2.76Å; E273-R493 IonicContact OE1-NH2 3.6Å; E273-R493 PolarHBondContact OE1-NH2 3.09Å; E273-R493 IonicContact OE2-CZ 3.81Å; E273-R493 VanDerWaalsContact OE2-CZ 3.23Å; E273-R493 IonicContact OE2-NE 2.53Å; E273-R493 PolarHBondContact OE2-NE 3.15Å; E273-R493 IonicContact OE2-NH2 3.93Å; E273-R493 PolarHBondContact OE2-NH2 3.03Å; E273-R541 HydrophobicContact CG-CB 3.8Å; E273-R541 HydrophobicContact CG-CG 4.49Å; E273-R541 PolarHBondContact O-NH1 3.14Å; E273-R541 PolarHBondContact O-NH2 3.08Å
274	A	94.3	Very high	90.4	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-74.3	-36.9	179.8	0	0	0	0	0	110.9	W177 L178 A181 T271 S272 E276 D277 F278	W177-A274 HydrophobicContact CE3-CB 3.88Å; W177-A274 HydrophobicContact CZ3-CB 3.56Å; L178-A274 HydrophobicContact CD1-CB 3.66Å; A181-A274 HydrophobicContact CB-CB 3.33Å; T271-A274 PolarHBondContact O-N 3.48Å; T271-A274 VanDerWaalsContact O-N 3.11Å; S272-A274 PolarHBondContact O-N 2.7Å; A274-E276 VanDerWaalsContact C-N 3.34Å; A274-E276 PolarHBondContact O-N 3.19Å; A274-D277 PolarHBondContact O-N 3.28Å; A274-F278 HydrophobicContact CB-CD2 4.5Å; A274-F278 HydrophobicContact CB-CE2 4Å; A274-F278 HydrophobicContact CB-CZ 4.24Å; A274-F278 WeakPolarHBondContact O-CB 3.33Å; A274-F278 WeakPolarHBondContact O-CD2 3.25Å; A274-F278 WeakPolarHBondContact O-CG 3.41Å; A274-F278 PolarHBondContact O-N 3.09Å
275	L	93.1	Very high	90.2	Very high	0 Å²	0	17 Å²	17	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-60.3	-44.1	175.1	-65.3	177.2	0	0	0	111.6	A181 C184 T271 S272 F278 T279 L309 C418	A181-L275 HydrophobicContact CB-CD2 3.71Å; A181-L275 HydrophobicContact CB-CG 3.99Å; C184-L275 HydrophobicContact CB-CD2 4Å; T271-L275 HydrophobicContact CG2-CD1 4.09Å; T271-L275 HydrophobicContact CG2-CG 4.13Å; T271-L275 WeakPolarHBondContact O-CG 3.1Å; T271-L275 PolarHBondContact O-N 3.03Å; S272-L275 PolarHBondContact O-N 2.97Å; L275-F278 PolarHBondContact O-N 2.91Å; L275-T279 WeakPolarHBondContact O-CB 3.46Å; L275-T279 VanDerWaalsContact O-CG2 3.29Å; L275-T279 WeakPolarHBondContact O-CG2 3.36Å; L275-T279 PolarHBondContact O-N 2.74Å; L275-T279 VanDerWaalsContact O-N 3.14Å; L275-T279 PolarHBondContact O-OG1 3.29Å; L275-L309 HydrophobicContact CD1-CB 4.25Å; L275-L309 HydrophobicContact CD2-CB 3.65Å; L275-L309 HydrophobicContact CD2-CD1 3.65Å; L275-L309 HydrophobicContact CD2-CG 4.3Å; L275-L309 HydrophobicContact CG-CB 4.49Å; L275-C418 HydrophobicContact CB-CB 3.55Å; L275-C418 HydrophobicContact CD1-CB 3.73Å; L275-C418 HydrophobicContact CG-CB 4.22Å
276	E	92.2	Very high	90.1	Very high	2 Å²	2	18.2 Å²	18.2	1%	0.009	11%	0.11	C	C	.	.	H	α-helix	trans	-60.3	-44.5	172.7	-79.4	149.9	-152.7	0	0	111.6	W215 S272 A274 F278 T279 G280 S283 M488 R541 E542	W215-E276 HydrophobicContact CZ3-CB 4.34Å; S272-E276 WeakPolarHBondContact O-CB 3.25Å; S272-E276 VanDerWaalsContact O-CD 3.22Å; S272-E276 WeakPolarHBondContact O-CG 3.16Å; S272-E276 PolarHBondContact O-N 2.96Å; A274-E276 VanDerWaalsContact C-N 3.34Å; A274-E276 PolarHBondContact O-N 3.19Å; E276-F278 PolarHBondContact O-N 2.95Å; E276-T279 PolarHBondContact O-N 3.34Å; E276-G280 WeakPolarHBondContact O-CA 3.33Å; E276-G280 PolarHBondContact O-N 2.91Å; E276-S283 WeakPolarHBondContact CG-OG 3.36Å; E276-S283 WeakPolarHBondContact OE1-CB 3.3Å; E276-S283 PolarHBondContact OE1-OG 3.28Å; E276-M488 HydrophobicContact CB-CE 4.49Å; E276-M488 HydrophobicContact CG-CE 4.29Å; E276-M488 WeakPolarHBondContact OE2-CE 3.3Å; E276-R541 IonicContact OE2-CZ 3.93Å; E276-R541 IonicContact OE2-NE 3.64Å; E276-R541 IonicContact OE2-NH2 3.88Å; E276-R541 PolarHBondContact OE2-NH2 2.8Å; E276-E542 VanDerWaalsContact OE1-OE2 3.1Å
277	D	93	Very high	89.9	Confident	5 Å²	5	20.3 Å²	20.3	3%	0.027	12%	0.121	C	C	.	.	H	α-helix	trans	-70.6	-21.7	-178.5	-64.5	-5.1	0	0	0	112.9	F214 W215 Y256 E273 A274 R541	F214-D277 CarbonylContact C-O 3.6Å; F214-D277 WeakPolarHBondContact CA-O 3.14Å; W215-D277 PolarHBondContact N-O 3.39Å; W215-D277 WeakPolarHBondContact O-CA 3.46Å; Y256-D277 HydrophobicContact CE2-CB 3.87Å; Y256-D277 WeakPolarHBondContact CE2-OD2 3.41Å; Y256-D277 PolarHBondContact OH-OD2 2.87Å; E273-D277 PolarHBondContact O-N 3.48Å; E273-D277 VanDerWaalsContact O-N 3.09Å; A274-D277 PolarHBondContact O-N 3.28Å; D277-R541 IonicContact OD1-CZ 3.1Å; D277-R541 VanDerWaalsContact OD1-CZ 3.24Å; D277-R541 IonicContact OD1-NH1 2.65Å; D277-R541 PolarHBondContact OD1-NH1 3.16Å; D277-R541 IonicContact OD1-NH2 3.49Å; D277-R541 PolarHBondContact OD1-NH2 2.82Å; D277-R541 IonicContact OD2-CZ 3.63Å; D277-R541 IonicContact OD2-NH1 3.81Å; D277-R541 PolarHBondContact OD2-NH1 3.16Å
278	F	91.5	Very high	90.1	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-90.9	-10.9	175.7	-61.9	-22.4	0	0	0	113.9	L178 A181 I182 L185 V195 F214 W220 Y256 A274 L275 E276	L178-F278 HydrophobicContact CD1-CE1 4.48Å; L178-F278 HydrophobicContact CD1-CE2 4.25Å; L178-F278 HydrophobicContact CD1-CZ 3.6Å; A181-F278 HydrophobicContact CB-CD2 4.05Å; A181-F278 HydrophobicContact CB-CE2 3.73Å; I182-F278 HydrophobicContact CB-CE2 4.48Å; I182-F278 HydrophobicContact CG1-CE2 3.67Å; I182-F278 HydrophobicContact CG1-CZ 3.68Å; L185-F278 HydrophobicContact CB-CD2 4.23Å; L185-F278 HydrophobicContact CD1-CB 4.23Å; L185-F278 HydrophobicContact CD2-CB 4.26Å; L185-F278 HydrophobicContact CD2-CD1 4.44Å; L185-F278 HydrophobicContact CD2-CD2 3.97Å; L185-F278 HydrophobicContact CD2-CE2 4.42Å; L185-F278 HydrophobicContact CD2-CG 3.97Å; V195-F278 HydrophobicContact CG1-CD1 4.19Å; V195-F278 HydrophobicContact CG2-CB 4Å; V195-F278 HydrophobicContact CG2-CD1 4.39Å; V195-F278 HydrophobicContact CG2-CG 4.48Å; V195-F278 VanDerWaalsContact CG2-O 3.28Å; V195-F278 WeakPolarHBondContact CG2-O 3.41Å; F214-F278 AromaticContact CD1-CD1 3.96Å; F214-F278 HydrophobicContact CD1-CD1 3.96Å; F214-F278 AromaticContact CD1-CE1 3.87Å; F214-F278 HydrophobicContact CD1-CE1 3.87Å; F214-F278 HydrophobicContact CE1-CD1 4.14Å; F214-F278 AromaticContact CE1-CE1 3.67Å; F214-F278 HydrophobicContact CE1-CE1 3.67Å; W220-F278 WeakPolarHBondContact CH2-O 3.32Å; Y256-F278 HydrophobicContact CD2-CE1 4.23Å; Y256-F278 HydrophobicContact CE2-CE1 4.41Å; A274-F278 HydrophobicContact CB-CD2 4.5Å; A274-F278 HydrophobicContact CB-CE2 4Å; A274-F278 HydrophobicContact CB-CZ 4.24Å; A274-F278 WeakPolarHBondContact O-CB 3.33Å; A274-F278 WeakPolarHBondContact O-CD2 3.25Å; A274-F278 WeakPolarHBondContact O-CG 3.41Å; A274-F278 PolarHBondContact O-N 3.09Å; L275-F278 PolarHBondContact O-N 2.91Å; E276-F278 PolarHBondContact O-N 2.95Å
279	T	88.2	Confident	90.2	Very high	15 Å²	15	17.1 Å²	17.1	9%	0.092	10%	0.098	C	C	.	.	H	α-helix	trans	-132.9	-24	-170.7	63.7	0	0	0	0	114.1	L191 L275 E276 G281 L309 L420	L191-T279 HydrophobicContact CD1-CG2 4.21Å; L191-T279 HydrophobicContact CD2-CG2 4.46Å; L275-T279 WeakPolarHBondContact O-CB 3.46Å; L275-T279 VanDerWaalsContact O-CG2 3.29Å; L275-T279 WeakPolarHBondContact O-CG2 3.36Å; L275-T279 PolarHBondContact O-N 2.74Å; L275-T279 VanDerWaalsContact O-N 3.14Å; L275-T279 PolarHBondContact O-OG1 3.29Å; E276-T279 PolarHBondContact O-N 3.34Å; T279-G281 PolarHBondContact O-N 2.82Å; T279-G281 WeakPolarHBondContact OG1-CA 3.27Å; T279-G281 PolarHBondContact OG1-N 2.83Å; T279-L309 HydrophobicContact CG2-CD1 3.71Å; T279-L420 HydrophobicContact CG2-CD2 3.46Å; T279-L420 VanDerWaalsContact CG2-CD2 3.46Å
280	G	85	Confident	90	Very high	13 Å²	13	23.8 Å²	23.8	13%	0.134	12%	0.116	C	C	.	.	S	Bend	trans	65.2	8.6	-162.3	0	0	0	0	0	113.8	E276 R572	E276-G280 WeakPolarHBondContact O-CA 3.33Å; E276-G280 PolarHBondContact O-N 2.91Å; G280-R572 PolarHBondContact O-NH1 2.84Å
281	G	85.4	Confident	89.7	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.143	C	C	.	.			trans	-72.1	180	-178.6	0	0	0	0	0	113.4	T279 H419 R572	T279-G281 PolarHBondContact O-N 2.82Å; T279-G281 WeakPolarHBondContact OG1-CA 3.27Å; T279-G281 PolarHBondContact OG1-N 2.83Å; G281-H419 CarbonylContact C-O 3.6Å; G281-H419 WeakPolarHBondContact CA-O 3.34Å; G281-R572 PolarHBondContact O-NH1 2.56Å; G281-R572 PolarHBondContact O-NH2 3.05Å
282	I	85.1	Confident	89.4	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	132.7	176.3	-170.7	179.6	0	0	0	110.3	C418 H419 M425 I484 C544 F574	I282-C418 WeakPolarHBondContact O-CA 3.15Å; I282-H419 HydrophobicContact CG2-CB 4.25Å; I282-H419 PolarHBondContact N-O 2.82Å; I282-H419 PolarHBondContact O-N 2.81Å; I282-M425 HydrophobicContact CG2-CE 3.65Å; I282-M425 HydrophobicContact CG2-SD 4.16Å; I282-I484 HydrophobicContact CD1-CG2 3.64Å; I282-C544 HydrophobicContact CD1-CB 4.47Å; I282-C544 WeakPolarHBondContact CD1-SG 3.22Å; I282-F574 HydrophobicContact CB-CE2 4.1Å; I282-F574 HydrophobicContact CB-CZ 3.94Å; I282-F574 HydrophobicContact CD1-CD2 3.85Å; I282-F574 HydrophobicContact CD1-CE2 3.53Å; I282-F574 HydrophobicContact CD1-CZ 4.25Å; I282-F574 HydrophobicContact CG1-CE2 4.27Å; I282-F574 HydrophobicContact CG2-CE1 4.4Å; I282-F574 HydrophobicContact CG2-CE2 4.34Å; I282-F574 HydrophobicContact CG2-CZ 4.06Å
283	S	89	Confident	89.1	Confident	5 Å²	5	32.7 Å²	32.7	4%	0.035	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	129.7	180	-49.5	0	0	0	0	112	S272 E276 I417 C544	S272-S283 WeakPolarHBondContact CB-OG 3.44Å; S272-S283 PolarHBondContact O-OG 3.28Å; E276-S283 WeakPolarHBondContact CG-OG 3.36Å; E276-S283 WeakPolarHBondContact OE1-CB 3.3Å; E276-S283 PolarHBondContact OE1-OG 3.28Å; S283-I417 CarbonylContact C-O 3.57Å; S283-I417 VanDerWaalsContact CA-O 3.3Å; S283-I417 WeakPolarHBondContact CA-O 3.27Å; S283-C544 WeakPolarHBondContact O-CB 3.26Å
284	E	87	Confident	88.8	Confident	15 Å²	15	38.9 Å²	38.9	7%	0.07	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	139.2	167.2	-65.6	-168	-113.7	0	0	110.4	F286 E416 I417 H419 R546	E284-F286 HydrophobicContact CB-CE2 3.81Å; E284-F286 HydrophobicContact CB-CZ 4.13Å; E284-E416 WeakPolarHBondContact O-CA 3.49Å; E284-I417 PolarHBondContact N-O 3.49Å; E284-I417 PolarHBondContact O-N 3.37Å; E284-H419 IonicContact OE1-CD2 3.23Å; E284-H419 IonicContact OE1-NE2 2.86Å; E284-H419 PolarHBondContact OE1-NE2 3.07Å; E284-R546 IonicContact OE1-CZ 2.92Å; E284-R546 IonicContact OE1-NH1 2.75Å; E284-R546 PolarHBondContact OE1-NH1 3.07Å; E284-R546 IonicContact OE1-NH2 3.97Å; E284-R546 PolarHBondContact OE1-NH2 2.89Å; E284-R546 IonicContact OE2-CZ 2.88Å; E284-R546 IonicContact OE2-NH1 2.64Å; E284-R546 PolarHBondContact OE2-NH1 3.1Å; E284-R546 IonicContact OE2-NH2 3.07Å
285	M	89.1	Confident	88.4	Confident	69 Å²	69	42.5 Å²	42.5	34%	0.34	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	130.8	176.9	-65.9	-161.9	-178.2	0	0	110.7	T270 S272 L415 E416 L540	T270-M285 HydrophobicContact CG2-CE 4.2Å; S272-M285 WeakPolarHBondContact OG-CE 3.38Å; M285-L415 WeakPolarHBondContact CA-O 3.34Å; M285-E416 HydrophobicContact CE-CG 4.39Å; M285-E416 HydrophobicContact CG-CG 4.17Å; M285-L540 HydrophobicContact CE-CD1 3.8Å; M285-L540 HydrophobicContact CE-CD2 4.42Å; M285-L540 HydrophobicContact SD-CD1 3.52Å; M285-L540 VanDerWaalsContact SD-CD1 3.52Å
286	F	89.9	Confident	88.3	Confident	28 Å²	28	42.5 Å²	42.5	12%	0.123	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	127.9	177.7	-58.5	-90	0	0	0	109.9	E284 L288 P293 L296 V299 K414 L415 I417	E284-F286 HydrophobicContact CB-CE2 3.81Å; E284-F286 HydrophobicContact CB-CZ 4.13Å; F286-L288 HydrophobicContact CB-CD2 4.5Å; F286-P293 HydrophobicContact CD1-CG 3.81Å; F286-P293 HydrophobicContact CE1-CG 4.1Å; F286-L296 HydrophobicContact CD1-CD1 4.21Å; F286-L296 HydrophobicContact CE1-CD1 4.48Å; F286-L296 HydrophobicContact CG-CD1 4.23Å; F286-V299 HydrophobicContact CZ-CG1 4.44Å; F286-K414 WeakPolarHBondContact O-CA 3.35Å; F286-L415 HydrophobicContact CB-CB 4.25Å; F286-L415 HydrophobicContact CD2-CD2 4.14Å; F286-L415 HydrophobicContact CD2-CG 4.27Å; F286-L415 PolarHBondContact N-O 3.35Å; F286-L415 PolarHBondContact O-N 3.18Å; F286-I417 HydrophobicContact CD2-CD1 4.27Å; F286-I417 HydrophobicContact CD2-CG1 4.3Å; F286-I417 HydrophobicContact CE2-CB 4.42Å; F286-I417 HydrophobicContact CE2-CD1 3.71Å; F286-I417 HydrophobicContact CE2-CG1 3.96Å
287	D	90.4	Very high	88.3	Confident	44 Å²	44	44.1 Å²	44.1	24%	0.235	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	104.9	171.6	-174.1	-39.1	0	0	0	109.2	K289 K290 D291 T292	D287-K289 PolarHBondContact O-N 3.49Å; D287-K289 PolarHBondContact OD1-N 2.55Å; D287-K290 PolarHBondContact OD1-N 2.97Å; D287-K290 WeakPolarHBondContact OD2-CD 3.24Å; D287-D291 CarbonylContact O-C 3.5Å; D287-D291 VanDerWaalsContact O-C 3.25Å; D287-D291 PolarHBondContact O-N 3.42Å; D287-D291 VanDerWaalsContact O-N 3.15Å; D287-T292 PolarHBondContact O-N 2.91Å
288	L	93.3	Very high	88	Confident	3 Å²	3	50.4 Å²	50.4	2%	0.016	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-7	-174.1	-58	179.8	0	0	0	113.8	F286 T292 L296 F408 E413 L415	F286-L288 HydrophobicContact CB-CD2 4.5Å; L288-T292 VanDerWaalsContact CA-OG1 3.27Å; L288-T292 WeakPolarHBondContact CA-OG1 3.34Å; L288-T292 HydrophobicContact CD2-CG2 4.46Å; L288-T292 PolarHBondContact O-OG1 2.82Å; L288-L296 HydrophobicContact CD2-CD2 3.42Å; L288-L296 VanDerWaalsContact CD2-CD2 3.42Å; L288-F408 HydrophobicContact CD1-CD1 4.43Å; L288-F408 HydrophobicContact CD1-CE1 3.76Å; L288-F408 HydrophobicContact CD1-CZ 4.02Å; L288-E413 PolarHBondContact N-O 2.98Å; L288-L415 HydrophobicContact CD1-CB 4.15Å; L288-L415 HydrophobicContact CD2-CB 4.06Å; L288-L415 HydrophobicContact CG-CB 4.22Å
289	K	90	Very high	87.7	Confident	93 Å²	93	52 Å²	52	40%	0.404	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	-40.7	179.7	-61.1	-50.8	-174.7	-159.8	0	112.5	D287 I409 S410 Y412 E413	D287-K289 PolarHBondContact O-N 3.49Å; D287-K289 PolarHBondContact OD1-N 2.55Å; K289-I409 PolarHBondContact NZ-O 3.1Å; K289-S410 PolarHBondContact NZ-O 3.42Å; K289-Y412 WeakPolarHBondContact CE-O 3.39Å; K289-Y412 PolarHBondContact NZ-O 2.81Å; K289-E413 HydrophobicContact CG-CB 4.23Å; K289-E413 HydrophobicContact CG-CG 3.88Å
290	K	85.2	Confident	87.9	Confident	176 Å²	176	51.3 Å²	51.3	77%	0.765	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-40	-173.8	-64.5	-177.9	-173.1	163.4	0	112.7	D287	D287-K290 PolarHBondContact OD1-N 2.97Å; D287-K290 WeakPolarHBondContact OD2-CD 3.24Å
291	D	83.6	Confident	88.1	Confident	129 Å²	129	52.6 Å²	52.6	69%	0.69	28%	0.276	S	S	*	.			trans	-148.4	64.6	-168.4	-164.9	21.7	0	0	0	111.8	D287 P293	D287-D291 CarbonylContact O-C 3.5Å; D287-D291 VanDerWaalsContact O-C 3.25Å; D287-D291 PolarHBondContact O-N 3.42Å; D287-D291 VanDerWaalsContact O-N 3.15Å; D291-P293 VanDerWaalsContact O-CD 3.3Å; D291-P293 WeakPolarHBondContact O-CD 3.23Å
292	T	87.6	Confident	87.9	Confident	49 Å²	49	54.9 Å²	54.9	30%	0.301	29%	0.286	S	S	.	.			trans	-79.7	117.4	179.2	-51.6	0	0	0	0	110.4	D287 L288 S294 L296 I409	D287-T292 PolarHBondContact O-N 2.91Å; L288-T292 VanDerWaalsContact CA-OG1 3.27Å; L288-T292 WeakPolarHBondContact CA-OG1 3.34Å; L288-T292 HydrophobicContact CD2-CG2 4.46Å; L288-T292 PolarHBondContact O-OG1 2.82Å; T292-S294 PolarHBondContact O-N 3.35Å; T292-L296 HydrophobicContact CG2-CD2 3.82Å; T292-I409 HydrophobicContact CG2-CD1 4.09Å; T292-I409 HydrophobicContact CG2-CG2 4.35Å
293	P	86.1	Confident	87.8	Confident	38 Å²	38	55 Å²	55	25%	0.247	29%	0.287	C	S	.	.			trans	-62.2	138.6	176.9	-20.8	32.6	0	0	0	111.5	F286 D291 N295 L296	F286-P293 HydrophobicContact CD1-CG 3.81Å; F286-P293 HydrophobicContact CE1-CG 4.1Å; D291-P293 VanDerWaalsContact O-CD 3.3Å; D291-P293 WeakPolarHBondContact O-CD 3.23Å; P293-N295 WeakPolarHBondContact CB-OD1 3.33Å; P293-N295 PolarHBondContact O-N 2.69Å; P293-L296 HydrophobicContact CB-CB 4.29Å; P293-L296 WeakPolarHBondContact O-CB 3.43Å; P293-L296 PolarHBondContact O-N 3.25Å; P293-L296 VanDerWaalsContact O-N 3.11Å
294	S	86.6	Confident	87.7	Confident	132 Å²	132	57.6 Å²	57.6	92%	0.923	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-28.2	-180	56.6	0	0	0	0	113.1	T292	T292-S294 PolarHBondContact O-N 3.35Å
295	N	85.4	Confident	87.4	Confident	77 Å²	77	62.6 Å²	62.6	41%	0.412	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	9.4	177.7	67.2	-32.5	0	0	0	113.7	P293 L297 Q298 V299	P293-N295 WeakPolarHBondContact CB-OD1 3.33Å; P293-N295 PolarHBondContact O-N 2.69Å; N295-L297 VanDerWaalsContact C-N 3.27Å; N295-L297 PolarHBondContact O-N 3.09Å; N295-L297 VanDerWaalsContact O-N 3.14Å; N295-Q298 WeakPolarHBondContact O-CB 3.34Å; N295-Q298 PolarHBondContact O-N 3.24Å; N295-V299 PolarHBondContact O-N 2.73Å; N295-V299 VanDerWaalsContact O-N 3.16Å
296	L	90.5	Very high	86.8	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-56.1	-37.1	-172.3	175.7	66.9	0	0	0	113.9	F286 L288 T292 P293 Q298 V299 M300 Y405 L415	F286-L296 HydrophobicContact CD1-CD1 4.21Å; F286-L296 HydrophobicContact CE1-CD1 4.48Å; F286-L296 HydrophobicContact CG-CD1 4.23Å; L288-L296 HydrophobicContact CD2-CD2 3.42Å; L288-L296 VanDerWaalsContact CD2-CD2 3.42Å; T292-L296 HydrophobicContact CG2-CD2 3.82Å; P293-L296 HydrophobicContact CB-CB 4.29Å; P293-L296 WeakPolarHBondContact O-CB 3.43Å; P293-L296 PolarHBondContact O-N 3.25Å; P293-L296 VanDerWaalsContact O-N 3.11Å; L296-Q298 VanDerWaalsContact C-N 3.28Å; L296-Q298 PolarHBondContact O-N 3.08Å; L296-V299 WeakPolarHBondContact O-CB 3.32Å; L296-V299 PolarHBondContact O-N 2.99Å; L296-V299 VanDerWaalsContact O-N 3.16Å; L296-M300 HydrophobicContact CD1-CG 4.31Å; L296-M300 HydrophobicContact CG-CG 4.41Å; L296-M300 HydrophobicContact CG-SD 4.35Å; L296-M300 WeakPolarHBondContact O-CG 3.36Å; L296-M300 PolarHBondContact O-N 3.08Å; L296-Y405 WeakPolarHBondContact CB-OH 3.46Å; L296-L415 HydrophobicContact CD1-CD2 3.68Å; L296-L415 HydrophobicContact CD2-CD2 4.21Å; L296-L415 HydrophobicContact CG-CD2 4.33Å
297	L	92.1	Very high	86.5	Confident	35 Å²	35	62.9 Å²	62.9	18%	0.183	33%	0.33	C	S	.	.	H	α-helix	trans	-59.9	-40.5	177	176.4	60.8	0	0	0	111.9	N295 M300 L301 V340 M342 P355 Y405	N295-L297 VanDerWaalsContact C-N 3.27Å; N295-L297 PolarHBondContact O-N 3.09Å; N295-L297 VanDerWaalsContact O-N 3.14Å; L297-M300 PolarHBondContact O-N 3.02Å; L297-L301 HydrophobicContact CD1-CD1 4.15Å; L297-L301 HydrophobicContact CD1-CG 4.31Å; L297-L301 HydrophobicContact CG-CD1 4.03Å; L297-L301 WeakPolarHBondContact O-CB 3.24Å; L297-L301 WeakPolarHBondContact O-CG 3.36Å; L297-L301 PolarHBondContact O-N 3.01Å; L297-V340 HydrophobicContact CD1-CG1 4.42Å; L297-M342 HydrophobicContact CD2-SD 4.21Å; L297-P355 HydrophobicContact CD1-CB 3.61Å; L297-P355 HydrophobicContact CD1-CG 4.48Å; L297-P355 HydrophobicContact CD2-CB 3.69Å; L297-P355 HydrophobicContact CD2-CG 3.86Å; L297-P355 HydrophobicContact CG-CB 4.31Å; L297-Y405 HydrophobicContact CB-CD1 4.48Å; L297-Y405 HydrophobicContact CB-CD2 4.49Å; L297-Y405 HydrophobicContact CB-CE1 3.92Å; L297-Y405 HydrophobicContact CB-CE2 3.94Å; L297-Y405 HydrophobicContact CD1-CD1 4.47Å; L297-Y405 HydrophobicContact CD1-CD2 3.82Å; L297-Y405 HydrophobicContact CD1-CE2 4.05Å; L297-Y405 HydrophobicContact CD1-CG 4.03Å; L297-Y405 PolarHBondContact N-OH 2.53Å
298	Q	86.8	Confident	86.3	Confident	138 Å²	138	61.1 Å²	61.1	65%	0.645	32%	0.321	S	S	*	.	H	α-helix	trans	-67.3	-41.3	177.9	-65.4	173	-20.7	0	0	110.1	N295 L296 M300 L301 K302	N295-Q298 WeakPolarHBondContact O-CB 3.34Å; N295-Q298 PolarHBondContact O-N 3.24Å; L296-Q298 VanDerWaalsContact C-N 3.28Å; L296-Q298 PolarHBondContact O-N 3.08Å; Q298-M300 PolarHBondContact O-N 3.08Å; Q298-L301 PolarHBondContact O-N 2.94Å; Q298-K302 WeakPolarHBondContact O-CB 3.33Å; Q298-K302 PolarHBondContact O-N 2.59Å
299	V	85.8	Confident	86.2	Confident	34 Å²	34	61.4 Å²	61.4	21%	0.206	32%	0.323	C	S	.	.	H	α-helix	trans	-57	-50.6	173.6	178.6	0	0	0	0	110.3	F286 N295 L296 L301 K302 S303 I417	F286-V299 HydrophobicContact CZ-CG1 4.44Å; N295-V299 PolarHBondContact O-N 2.73Å; N295-V299 VanDerWaalsContact O-N 3.16Å; L296-V299 WeakPolarHBondContact O-CB 3.32Å; L296-V299 PolarHBondContact O-N 2.99Å; L296-V299 VanDerWaalsContact O-N 3.16Å; V299-L301 PolarHBondContact O-N 2.95Å; V299-K302 PolarHBondContact O-N 2.93Å; V299-S303 WeakPolarHBondContact O-CB 3.49Å; V299-S303 PolarHBondContact O-N 3.11Å; V299-S303 PolarHBondContact O-OG 3.04Å; V299-I417 HydrophobicContact CG1-CD1 3.96Å
300	M	91.1	Very high	86.4	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-62.5	-44.6	-179.4	-70	-178.7	70.4	0	0	113.4	L296 L297 Q298 K302 S303 Q304 M310 I337 V340 V357 Y405 F408 L415	L296-M300 HydrophobicContact CD1-CG 4.31Å; L296-M300 HydrophobicContact CG-CG 4.41Å; L296-M300 HydrophobicContact CG-SD 4.35Å; L296-M300 WeakPolarHBondContact O-CG 3.36Å; L296-M300 PolarHBondContact O-N 3.08Å; L297-M300 PolarHBondContact O-N 3.02Å; Q298-M300 PolarHBondContact O-N 3.08Å; M300-K302 VanDerWaalsContact C-N 3.3Å; M300-K302 PolarHBondContact O-N 3.18Å; M300-S303 PolarHBondContact O-N 2.89Å; M300-Q304 PolarHBondContact O-N 3.41Å; M300-Q304 VanDerWaalsContact O-N 3.13Å; M300-M310 HydrophobicContact CB-SD 4.38Å; M300-I337 HydrophobicContact CE-CD1 3.93Å; M300-V340 HydrophobicContact CB-CG1 4.23Å; M300-V340 HydrophobicContact CB-CG2 4.28Å; M300-V340 HydrophobicContact CE-CG2 3.89Å; M300-V357 HydrophobicContact CE-CG1 4.21Å; M300-V357 HydrophobicContact CE-CG2 4.23Å; M300-Y405 HydrophobicContact SD-CD2 4.31Å; M300-Y405 HydrophobicContact SD-CE2 3.83Å; M300-F408 HydrophobicContact CE-CE1 3.96Å; M300-F408 HydrophobicContact CE-CZ 4.15Å; M300-F408 HydrophobicContact SD-CE1 4.01Å; M300-L415 HydrophobicContact CE-CD1 4.39Å; M300-L415 HydrophobicContact CG-CD2 3.98Å; M300-L415 HydrophobicContact SD-CD2 3.93Å
301	L	89.2	Confident	86.9	Confident	39 Å²	39	48.9 Å²	48.9	20%	0.204	27%	0.269	C	S	.	.	H	α-helix	trans	-60.1	-44.9	176.3	-75.5	166.1	0	0	0	110.7	L297 Q298 V299 Q304 E305 V340 M342	L297-L301 HydrophobicContact CD1-CD1 4.15Å; L297-L301 HydrophobicContact CD1-CG 4.31Å; L297-L301 HydrophobicContact CG-CD1 4.03Å; L297-L301 WeakPolarHBondContact O-CB 3.24Å; L297-L301 WeakPolarHBondContact O-CG 3.36Å; L297-L301 PolarHBondContact O-N 3.01Å; Q298-L301 PolarHBondContact O-N 2.94Å; V299-L301 PolarHBondContact O-N 2.95Å; L301-Q304 PolarHBondContact O-N 3.11Å; L301-E305 WeakPolarHBondContact O-CG 3.34Å; L301-E305 PolarHBondContact O-N 2.95Å; L301-V340 HydrophobicContact CD2-CB 4.3Å; L301-V340 HydrophobicContact CD2-CG1 3.75Å; L301-V340 HydrophobicContact CG-CG1 4.02Å; L301-M342 HydrophobicContact CD1-CG 3.85Å; L301-M342 HydrophobicContact CD1-SD 4.38Å; L301-M342 HydrophobicContact CD2-CG 4.3Å
302	K	81.4	Confident	87.5	Confident	48 Å²	48	42.7 Å²	42.7	21%	0.209	24%	0.236	C	C	.	.	H	α-helix	trans	-67.1	-42.5	-179.7	-174.9	56.9	173	161.5	0	112.4	Q298 V299 M300 Q304 E305 L306 M428	Q298-K302 WeakPolarHBondContact O-CB 3.33Å; Q298-K302 PolarHBondContact O-N 2.59Å; V299-K302 PolarHBondContact O-N 2.93Å; M300-K302 VanDerWaalsContact C-N 3.3Å; M300-K302 PolarHBondContact O-N 3.18Å; K302-Q304 VanDerWaalsContact C-N 3.28Å; K302-Q304 PolarHBondContact O-N 3.01Å; K302-E305 IonicContact NZ-OE2 3.51Å; K302-E305 WeakPolarHBondContact O-CB 3.31Å; K302-E305 PolarHBondContact O-N 3.02Å; K302-E305 VanDerWaalsContact O-N 3.11Å; K302-L306 HydrophobicContact CD-CD1 4.31Å; K302-L306 HydrophobicContact CD-CG 4.47Å; K302-L306 HydrophobicContact CG-CD1 4.17Å; K302-L306 WeakPolarHBondContact O-CG 3.26Å; K302-L306 PolarHBondContact O-N 3.48Å; K302-M428 PolarHBondContact NZ-SD 3.01Å
303	S	84.2	Confident	87.8	Confident	3 Å²	3	41.3 Å²	41.3	2%	0.021	23%	0.228	C	C	.	.	H	α-helix	trans	-56.5	-42.7	175	-73.2	0	0	0	0	111.5	V299 M300 L306 S307 S308 I417	V299-S303 WeakPolarHBondContact O-CB 3.49Å; V299-S303 PolarHBondContact O-N 3.11Å; V299-S303 PolarHBondContact O-OG 3.04Å; M300-S303 PolarHBondContact O-N 2.89Å; S303-L306 CarbonylContact O-C 3.56Å; S303-L306 PolarHBondContact O-N 3.12Å; S303-S307 PolarHBondContact O-N 3.32Å; S303-S308 VanDerWaalsContact O-CB 3.27Å; S303-S308 WeakPolarHBondContact O-CB 3.4Å; S303-S308 PolarHBondContact O-N 3.35Å; S303-S308 PolarHBondContact O-OG 2.82Å; S303-I417 WeakPolarHBondContact OG-CG2 3.36Å
304	Q	85.7	Confident	88.1	Confident	60 Å²	60	39.9 Å²	39.9	28%	0.28	22%	0.218	S	C	.	.	H	α-helix	trans	-63.5	-42.7	174.5	-177.7	178.9	-88.3	0	0	112.6	M300 L301 K302 L306 S307 M310 S339 V340	M300-Q304 PolarHBondContact O-N 3.41Å; M300-Q304 VanDerWaalsContact O-N 3.13Å; L301-Q304 PolarHBondContact O-N 3.11Å; K302-Q304 VanDerWaalsContact C-N 3.28Å; K302-Q304 PolarHBondContact O-N 3.01Å; Q304-L306 PolarHBondContact O-N 3.29Å; Q304-S307 PolarHBondContact O-N 2.76Å; Q304-S307 VanDerWaalsContact O-N 3.11Å; Q304-M310 HydrophobicContact CB-CE 3.87Å; Q304-S339 VanDerWaalsContact OE1-C 3.27Å; Q304-S339 PolarHBondContact OE1-OG 3.19Å; Q304-S339 VanDerWaalsContact OE1-OG 3.12Å; Q304-V340 PolarHBondContact NE2-O 2.91Å; Q304-V340 PolarHBondContact OE1-O 3.14Å
305	E	81.3	Confident	88	Confident	119 Å²	119	37.6 Å²	37.6	56%	0.556	19%	0.193	S	C	*	.	H	α-helix	trans	-61.2	-31.1	177.5	-69.2	172.7	176.5	0	0	112.3	L301 K302 S307 M428	L301-E305 WeakPolarHBondContact O-CG 3.34Å; L301-E305 PolarHBondContact O-N 2.95Å; K302-E305 IonicContact NZ-OE2 3.51Å; K302-E305 WeakPolarHBondContact O-CB 3.31Å; K302-E305 PolarHBondContact O-N 3.02Å; K302-E305 VanDerWaalsContact O-N 3.11Å; E305-S307 VanDerWaalsContact C-N 3.31Å; E305-M428 WeakPolarHBondContact OE2-CE 3.46Å
306	L	77.4	Confident	87.7	Confident	47 Å²	47	36.6 Å²	36.6	25%	0.246	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	15.2	178.2	-62.2	177.3	0	0	0	113.2	K302 S303 Q304 S308 S424	K302-L306 HydrophobicContact CD-CD1 4.31Å; K302-L306 HydrophobicContact CD-CG 4.47Å; K302-L306 HydrophobicContact CG-CD1 4.17Å; K302-L306 WeakPolarHBondContact O-CG 3.26Å; K302-L306 PolarHBondContact O-N 3.48Å; S303-L306 CarbonylContact O-C 3.56Å; S303-L306 PolarHBondContact O-N 3.12Å; Q304-L306 PolarHBondContact O-N 3.29Å; L306-S308 PolarHBondContact O-N 2.89Å; L306-S308 VanDerWaalsContact O-N 3.07Å; L306-S424 WeakPolarHBondContact CD1-O 3.41Å
307	S	82.3	Confident	86.9	Confident	56 Å²	56	39.7 Å²	39.7	39%	0.392	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	21.9	-176.9	-69.6	0	0	0	0	114.7	D188 S303 Q304 E305 L420	D188-S307 PolarHBondContact OD2-OG 3.46Å; S303-S307 PolarHBondContact O-N 3.32Å; Q304-S307 PolarHBondContact O-N 2.76Å; Q304-S307 VanDerWaalsContact O-N 3.11Å; E305-S307 VanDerWaalsContact C-N 3.31Å; S307-L420 VanDerWaalsContact O-CD1 3.28Å; S307-L420 WeakPolarHBondContact O-CD1 3.4Å
308	S	86.2	Confident	85.9	Confident	7 Å²	7	43.7 Å²	43.7	5%	0.049	24%	0.24	C	C	.	.			trans	-65.4	140.4	174.6	-57	0	0	0	0	110	S303 L306 C418 H419	S303-S308 VanDerWaalsContact O-CB 3.27Å; S303-S308 WeakPolarHBondContact O-CB 3.4Å; S303-S308 PolarHBondContact O-N 3.35Å; S303-S308 PolarHBondContact O-OG 2.82Å; L306-S308 PolarHBondContact O-N 2.89Å; L306-S308 VanDerWaalsContact O-N 3.07Å; S308-C418 CarbonylContact C-O 3.43Å; S308-C418 WeakPolarHBondContact CA-O 3.28Å; S308-C418 WeakPolarHBondContact CB-O 3.39Å; S308-H419 PolarHBondContact OG-ND1 2.9Å
309	L	91.2	Very high	85.1	Confident	9 Å²	9	43.9 Å²	43.9	5%	0.047	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	130.1	-179	-56.1	-177.7	0	0	0	109.3	C184 L191 L275 T279 C418	C184-L309 HydrophobicContact CB-CB 4.2Å; C184-L309 HydrophobicContact CB-CD1 4.41Å; C184-L309 HydrophobicContact CB-CD2 4.22Å; L191-L309 HydrophobicContact CD1-CD1 4.24Å; L191-L309 HydrophobicContact CD1-CD2 4.28Å; L191-L309 HydrophobicContact CD1-CG 4.4Å; L275-L309 HydrophobicContact CD1-CB 4.25Å; L275-L309 HydrophobicContact CD2-CB 3.65Å; L275-L309 HydrophobicContact CD2-CD1 3.65Å; L275-L309 HydrophobicContact CD2-CG 4.3Å; L275-L309 HydrophobicContact CG-CB 4.49Å; T279-L309 HydrophobicContact CG2-CD1 3.71Å; L309-C418 HydrophobicContact CB-CB 4.42Å; L309-C418 PolarHBondContact N-O 2.79Å; L309-C418 PolarHBondContact O-N 2.85Å
310	M	94.1	Very high	84.2	Confident	6 Å²	6	45.2 Å²	45.2	3%	0.03	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	139.5	-173.9	-67.8	-178.6	-77.2	0	0	111.3	C184 M300 Q304 I337 V340 E416 I417	C184-M310 PolarHBondContact SG-O 3.19Å; M300-M310 HydrophobicContact CB-SD 4.38Å; Q304-M310 HydrophobicContact CB-CE 3.87Å; M310-I337 HydrophobicContact CB-CB 3.76Å; M310-I337 HydrophobicContact CB-CD1 4.21Å; M310-I337 HydrophobicContact CB-CG1 4.48Å; M310-I337 HydrophobicContact CB-CG2 4.18Å; M310-I337 HydrophobicContact CE-CG2 4.3Å; M310-I337 PolarHBondContact O-N 3.44Å; M310-V340 HydrophobicContact CE-CG2 3.98Å; M310-E416 WeakPolarHBondContact CA-O 3.44Å; M310-I417 HydrophobicContact CG-CB 4.44Å; M310-I417 HydrophobicContact CG-CG1 4.1Å; M310-I417 HydrophobicContact CG-CG2 4.06Å
311	A	96	Very high	82.9	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	157.7	176.8	0	0	0	0	0	110.7	T271 Y335 L415 E416	T271-A311 HydrophobicContact CG2-CB 3.41Å; T271-A311 VanDerWaalsContact CG2-CB 3.41Å; A311-Y335 CarbonylContact C-O 3.59Å; A311-Y335 VanDerWaalsContact CA-O 3.23Å; A311-Y335 WeakPolarHBondContact CA-O 3.48Å; A311-Y335 WeakPolarHBondContact CB-O 3.29Å; A311-L415 WeakPolarHBondContact O-CD1 3.29Å; A311-E416 HydrophobicContact CB-CB 4.5Å; A311-E416 PolarHBondContact N-O 2.82Å; A311-E416 PolarHBondContact O-N 3.39Å
312	C	96.1	Very high	82.1	Confident	0 Å²	0	56 Å²	56	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	162.2	175.8	58.3	0	0	0	0	111.6	Y335 I337 F408 Y412 K414	C312-Y335 PolarHBondContact N-O 3.47Å; C312-Y335 PolarHBondContact O-N 3.31Å; C312-I337 HydrophobicContact CB-CD1 4.08Å; C312-I337 HydrophobicContact CB-CG1 4.43Å; C312-F408 HydrophobicContact CB-CE2 3.83Å; C312-F408 HydrophobicContact CB-CZ 3.99Å; C312-Y412 HydrophobicContact CB-CD1 3.9Å; C312-Y412 HydrophobicContact CB-CE1 4.37Å; C312-Y412 HydrophobicContact CB-CG 4.21Å; C312-Y412 VanDerWaalsContact SG-CE1 3.52Å; C312-K414 CarbonylContact C-O 3.55Å; C312-K414 WeakPolarHBondContact CA-O 3.5Å; C312-K414 WeakPolarHBondContact CB-O 3.4Å
313	S	94.6	Very high	82	Confident	19 Å²	19	54.9 Å²	54.9	13%	0.133	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	159.4	176.8	58.6	0	0	0	0	112.8	H333 E413 K414	S313-H333 WeakPolarHBondContact CA-O 3.35Å; S313-H333 VanDerWaalsContact CB-O 3.29Å; S313-H333 WeakPolarHBondContact CB-O 3.25Å; S313-E413 PolarHBondContact O-N 3.47Å; S313-E413 VanDerWaalsContact O-N 3.07Å; S313-K414 PolarHBondContact N-O 2.88Å; S313-K414 PolarHBondContact O-N 3.47Å; S313-K414 VanDerWaalsContact O-N 3.11Å
314	I	91.8	Very high	82.1	Confident	8 Å²	8	60.3 Å²	60.3	4%	0.041	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	129.4	170.6	-54.9	172.1	0	0	0	106	L325 L329 M331 G332 Y412	I314-L325 HydrophobicContact CD1-CD1 4.29Å; I314-L329 HydrophobicContact CD1-CB 3.75Å; I314-L329 HydrophobicContact CD1-CD1 3.98Å; I314-L329 HydrophobicContact CD1-CG 4.47Å; I314-M331 HydrophobicContact CG2-CB 4.43Å; I314-M331 HydrophobicContact CG2-CG 3.9Å; I314-G332 WeakPolarHBondContact O-CA 3.45Å; I314-G332 PolarHBondContact O-N 2.84Å; I314-Y412 HydrophobicContact CD1-CD1 4.28Å; I314-Y412 HydrophobicContact CD1-CE1 4.17Å; I314-Y412 HydrophobicContact CG1-CD1 3.64Å; I314-Y412 HydrophobicContact CG1-CE1 3.94Å; I314-Y412 HydrophobicContact CG1-CG 4.39Å
315	Q	84.9	Confident	82.3	Confident	85 Å²	85	59.7 Å²	59.7	40%	0.397	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-63.3	147.9	-178.4	-67.1	173.7	27.6	0	0	111.3	M331 E413	Q315-M331 WeakPolarHBondContact O-CE 3.23Å; Q315-E413 WeakPolarHBondContact CB-OE2 3.31Å; Q315-E413 WeakPolarHBondContact CG-OE2 3.37Å; Q315-E413 PolarHBondContact N-OE2 2.88Å; Q315-E413 PolarHBondContact NE2-OE2 2.9Å
316	A	79.1	Confident	82.7	Confident	55 Å²	55	60.1 Å²	60.1	46%	0.455	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-71.3	144.7	173.9	0	0	0	0	0	110.2
317	D	74.5	Confident	83.4	Confident	65 Å²	65	59.5 Å²	59.5	35%	0.348	33%	0.328	S	S	.	.	B	Isolated β-bridge	trans	-71.1	128.9	156.1	-176.4	-35	0	0	0	106.9	N319 T320 M331	D317-N319 PolarHBondContact O-N 3.48Å; D317-N319 PolarHBondContact OD1-N 3.21Å; D317-N319 PolarHBondContact OD1-ND2 3.3Å; D317-N319 VanDerWaalsContact OD1-ND2 3.08Å; D317-T320 PolarHBondContact O-N 3.49Å; D317-T320 VanDerWaalsContact O-O 3.08Å; D317-M331 HydrophobicContact CB-CE 3.88Å
318	P	69.7	Low	83.8	Confident	120 Å²	120	56.9 Å²	56.9	78%	0.779	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.5	-24.6	177.3	-27.5	34	0	0	0	114.8
319	N	70.1	Confident	84.1	Confident	141 Å²	141	56.5 Å²	56.5	75%	0.754	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	-7.2	-177.3	-54.1	-66.4	0	0	0	114	D317	D317-N319 PolarHBondContact O-N 3.48Å; D317-N319 PolarHBondContact OD1-N 3.21Å; D317-N319 PolarHBondContact OD1-ND2 3.3Å; D317-N319 VanDerWaalsContact OD1-ND2 3.08Å
320	T	67.6	Low	84.1	Confident	63 Å²	63	56.1 Å²	56.1	39%	0.387	31%	0.305	S	S	.	.	B	Isolated β-bridge	trans	-138.6	114.8	-170.6	-12.7	0	0	0	0	111	D317 A323	D317-T320 PolarHBondContact O-N 3.49Å; D317-T320 VanDerWaalsContact O-O 3.08Å; T320-A323 HydrophobicContact CG2-CB 4.04Å
321	F	64.6	Low	83.9	Confident	194 Å²	194	57.7 Å²	57.7	85%	0.851	31%	0.313	S	S	*	.	S	Bend	trans	-81.6	127.9	174.6	-68.9	-82.8	0	0	0	110.1	A323	F321-A323 VanDerWaalsContact C-N 3.33Å; F321-A323 PolarHBondContact O-N 3.04Å
322	E	70.9	Confident	83.4	Confident	71 Å²	71	59.2 Å²	59.2	33%	0.332	33%	0.328	S	S	.	.	S	Bend	trans	51.7	46.4	170.7	-64.7	177.9	178	0	0	113.8	R324 I330 M331 W363	E322-R324 PolarHBondContact O-N 3.35Å; E322-I330 HydrophobicContact CB-CG2 3.94Å; E322-I330 HydrophobicContact CG-CG2 4.49Å; E322-M331 VanDerWaalsContact CA-O 3.23Å; E322-M331 WeakPolarHBondContact CA-O 3.3Å; E322-W363 HydrophobicContact CB-CZ2 4.25Å; E322-W363 WeakPolarHBondContact OE2-CZ2 3.36Å
323	A	79.8	Confident	83.1	Confident	24 Å²	24	59.3 Å²	59.3	20%	0.198	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-71.5	125.6	-177.6	0	0	0	0	0	111.7	T320 F321 M331	T320-A323 HydrophobicContact CG2-CB 4.04Å; F321-A323 VanDerWaalsContact C-N 3.33Å; F321-A323 PolarHBondContact O-N 3.04Å; A323-M331 HydrophobicContact CB-CB 4.41Å; A323-M331 PolarHBondContact O-N 2.88Å
324	R	87.3	Confident	82.9	Confident	118 Å²	118	58.7 Å²	58.7	45%	0.445	33%	0.325	S	S	.	.	B	Isolated β-bridge	trans	-78.4	121.1	174.4	-172.5	-178.4	-113.5	-163.2	0.6	110.8	E322 I330 S367	E322-R324 PolarHBondContact O-N 3.35Å; R324-I330 HydrophobicContact CB-CD1 3.67Å; R324-I330 HydrophobicContact CG-CD1 3.72Å; R324-S367 VanDerWaalsContact NH2-CB 3.34Å; R324-S367 PolarHBondContact NH2-OG 3.33Å
325	L	89.3	Confident	83.1	Confident	47 Å²	47	58.3 Å²	58.3	25%	0.246	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-76.9	158.3	175.6	-67.7	176.7	0	0	0	111.8	I314 N327 G328 L329 M331	I314-L325 HydrophobicContact CD1-CD1 4.29Å; L325-N327 WeakPolarHBondContact CB-OD1 3.34Å; L325-N327 PolarHBondContact O-N 2.92Å; L325-N327 VanDerWaalsContact O-N 3.15Å; L325-G328 PolarHBondContact O-N 2.89Å; L325-L329 WeakPolarHBondContact CB-O 3.35Å; L325-L329 HydrophobicContact CD1-CB 4.31Å; L325-L329 PolarHBondContact N-O 3.12Å; L325-M331 HydrophobicContact CD1-CG 3.97Å; L325-M331 HydrophobicContact CD2-CG 3.97Å; L325-M331 HydrophobicContact CD2-SD 3.63Å; L325-M331 HydrophobicContact CG-CG 3.88Å; L325-M331 HydrophobicContact CG-SD 4.23Å
326	P	88.9	Confident	83.6	Confident	127 Å²	127	54.2 Å²	54.2	83%	0.825	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-28.6	178.1	-25.7	35	0	0	0	114.2	G328	P326-G328 PolarHBondContact O-N 2.79Å
327	N	92	Very high	84.4	Confident	35 Å²	35	51.8 Å²	51.8	19%	0.187	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-0.5	177	64.1	9.1	0	0	0	113.6	L325 L329 W369 K370 N411	L325-N327 WeakPolarHBondContact CB-OD1 3.34Å; L325-N327 PolarHBondContact O-N 2.92Å; L325-N327 VanDerWaalsContact O-N 3.15Å; N327-L329 PolarHBondContact OD1-N 3.28Å; N327-L329 VanDerWaalsContact OD1-N 3.1Å; N327-W369 HydrophobicContact CB-CE3 4.01Å; N327-W369 HydrophobicContact CB-CH2 4.33Å; N327-W369 HydrophobicContact CB-CZ3 3.55Å; N327-K370 WeakPolarHBondContact O-CB 3.48Å; N327-K370 PolarHBondContact O-N 2.98Å; N327-N411 PolarHBondContact ND2-OD1 3.39Å
328	G	91.5	Very high	85.2	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.27	C	S	.	.	S	Bend	trans	96.5	-17.1	178.3	0	0	0	0	0	115.5	L325 P326 E368	L325-G328 PolarHBondContact O-N 2.89Å; P326-G328 PolarHBondContact O-N 2.79Å; G328-E368 WeakPolarHBondContact CA-O 3.14Å
329	L	92.9	Very high	86.3	Confident	0 Å²	0	44 Å²	44	0%	0	24%	0.236	C	C	.	.			trans	-72.2	156.4	-179.1	-56.6	178	0	0	0	111.9	I314 L325 N327 W369 F401 N411 Y412	I314-L329 HydrophobicContact CD1-CB 3.75Å; I314-L329 HydrophobicContact CD1-CD1 3.98Å; I314-L329 HydrophobicContact CD1-CG 4.47Å; L325-L329 WeakPolarHBondContact CB-O 3.35Å; L325-L329 HydrophobicContact CD1-CB 4.31Å; L325-L329 PolarHBondContact N-O 3.12Å; N327-L329 PolarHBondContact OD1-N 3.28Å; N327-L329 VanDerWaalsContact OD1-N 3.1Å; L329-W369 HydrophobicContact CD1-CE3 3.9Å; L329-W369 HydrophobicContact CD1-CZ3 3.97Å; L329-W369 HydrophobicContact CD2-CB 4.36Å; L329-W369 HydrophobicContact CD2-CE3 4.16Å; L329-W369 HydrophobicContact CG-CE3 3.9Å; L329-W369 HydrophobicContact CG-CZ3 4.36Å; L329-F401 HydrophobicContact CD2-CE2 4.01Å; L329-F401 HydrophobicContact CD2-CZ 3.61Å; L329-N411 HydrophobicContact CD1-CB 3.7Å; L329-Y412 HydrophobicContact CD1-CE2 4.38Å
330	I	90.9	Very high	87.5	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.2	C	C	.	.	B	Isolated β-bridge	trans	-110.4	128.5	-177.9	-50.1	-57	0	0	0	109.2	E322 R324 H333 Y335 W363	E322-I330 HydrophobicContact CB-CG2 3.94Å; E322-I330 HydrophobicContact CG-CG2 4.49Å; R324-I330 HydrophobicContact CB-CD1 3.67Å; R324-I330 HydrophobicContact CG-CD1 3.72Å; I330-H333 HydrophobicContact CB-CB 3.95Å; I330-H333 HydrophobicContact CG2-CB 3.79Å; I330-Y335 VanDerWaalsContact CB-OH 3.29Å; I330-Y335 WeakPolarHBondContact CB-OH 3.47Å; I330-Y335 WeakPolarHBondContact CG1-OH 3.21Å; I330-Y335 PolarHBondContact N-OH 2.95Å; I330-W363 HydrophobicContact CD1-CH2 3.95Å; I330-W363 HydrophobicContact CD1-CZ3 3.85Å; I330-W363 HydrophobicContact CG1-CH2 3.99Å; I330-W363 HydrophobicContact CG1-CZ3 4.02Å; I330-W363 HydrophobicContact CG2-CH2 4.05Å; I330-W363 HydrophobicContact CG2-CZ2 4.18Å
331	M	88.8	Confident	88.7	Confident	40 Å²	40	37.7 Å²	37.7	20%	0.197	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	148.7	174.2	-69.8	179.6	53.3	0	0	111.9	I314 Q315 D317 E322 A323 L325 H333	I314-M331 HydrophobicContact CG2-CB 4.43Å; I314-M331 HydrophobicContact CG2-CG 3.9Å; Q315-M331 WeakPolarHBondContact O-CE 3.23Å; D317-M331 HydrophobicContact CB-CE 3.88Å; E322-M331 VanDerWaalsContact CA-O 3.23Å; E322-M331 WeakPolarHBondContact CA-O 3.3Å; A323-M331 HydrophobicContact CB-CB 4.41Å; A323-M331 PolarHBondContact O-N 2.88Å; L325-M331 HydrophobicContact CD1-CG 3.97Å; L325-M331 HydrophobicContact CD2-CG 3.97Å; L325-M331 HydrophobicContact CD2-SD 3.63Å; L325-M331 HydrophobicContact CG-CG 3.88Å; L325-M331 HydrophobicContact CG-SD 4.23Å; M331-H333 PolarHBondContact O-N 3.39Å
332	G	86.3	Confident	90	Very high	31 Å²	31	32.2 Å²	32.2	32%	0.32	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.7	25.4	179.9	0	0	0	0	0	113.4	I314	I314-G332 WeakPolarHBondContact O-CA 3.45Å; I314-G332 PolarHBondContact O-N 2.84Å
333	H	89.1	Confident	90.9	Very high	3 Å²	3	29.4 Å²	29.4	1%	0.014	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	147.2	-170.8	-166.5	49.8	0	0	0	111.8	Q170 C176 S313 I330 M331 Y335 N361 P362 W363	Q170-H333 PolarHBondContact OE1-CE1 2.84Å; C176-H333 WeakPolarHBondContact CB-CE1 2.95Å; C176-H333 WeakPolarHBondContact CB-ND1 3.25Å; C176-H333 PolarHBondContact SG-ND1 2.8Å; S313-H333 WeakPolarHBondContact CA-O 3.35Å; S313-H333 VanDerWaalsContact CB-O 3.29Å; S313-H333 WeakPolarHBondContact CB-O 3.25Å; I330-H333 HydrophobicContact CB-CB 3.95Å; I330-H333 HydrophobicContact CG2-CB 3.79Å; M331-H333 PolarHBondContact O-N 3.39Å; H333-Y335 HydrophobicContact CB-CE2 4.09Å; H333-Y335 AromaticContact CD2-CE2 3.76Å; H333-Y335 AromaticContact CD2-CZ 3.84Å; H333-N361 PolarHBondContact CD2-OD1 2.71Å; H333-N361 PolarHBondContact NE2-OD1 3.45Å; H333-P362 WeakPolarHBondContact NE2-CD 3.07Å; H333-P362 WeakPolarHBondContact NE2-CG 3.34Å; H333-W363 AromaticContact CE1-CD1 3.71Å; H333-W363 AromaticContact CE1-NE1 3.32Å; H333-W363 PolarHBondContact CE1-NE1 2.9Å; H333-W363 VanDerWaalsContact CE1-NE1 3.32Å; H333-W363 AromaticContact NE2-CD1 3.73Å; H333-W363 AromaticContact NE2-NE1 3.58Å
334	A	92	Very high	91.4	Very high	5 Å²	5	32 Å²	32	4%	0.041	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	136.2	178.7	0	0	0	0	0	110.9	C176 W177 A180 T271 P362	C176-A334 HydrophobicContact CB-CB 4.5Å; W177-A334 HydrophobicContact CB-CB 4.32Å; A180-A334 HydrophobicContact CB-CB 3.95Å; T271-A334 WeakPolarHBondContact OG1-CB 3.42Å; A334-P362 WeakPolarHBondContact O-CD 3.37Å; A334-P362 WeakPolarHBondContact O-CG 3.4Å
335	Y	95	Very high	91.4	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	146.4	178.3	-71.1	-98	0	0	0	110.4	A311 C312 I330 H333 V359 R360 N361 F401 Y412	A311-Y335 CarbonylContact C-O 3.59Å; A311-Y335 VanDerWaalsContact CA-O 3.23Å; A311-Y335 WeakPolarHBondContact CA-O 3.48Å; A311-Y335 WeakPolarHBondContact CB-O 3.29Å; C312-Y335 PolarHBondContact N-O 3.47Å; C312-Y335 PolarHBondContact O-N 3.31Å; I330-Y335 VanDerWaalsContact CB-OH 3.29Å; I330-Y335 WeakPolarHBondContact CB-OH 3.47Å; I330-Y335 WeakPolarHBondContact CG1-OH 3.21Å; I330-Y335 PolarHBondContact N-OH 2.95Å; H333-Y335 HydrophobicContact CB-CE2 4.09Å; H333-Y335 AromaticContact CD2-CE2 3.76Å; H333-Y335 AromaticContact CD2-CZ 3.84Å; Y335-V359 HydrophobicContact CD1-CG1 3.8Å; Y335-V359 HydrophobicContact CG-CG1 4.02Å; Y335-R360 WeakPolarHBondContact CA-O 3.43Å; Y335-N361 HydrophobicContact CD1-CB 4.04Å; Y335-N361 HydrophobicContact CE1-CB 3.64Å; Y335-F401 HydrophobicContact CD1-CZ 4.38Å; Y335-F401 HydrophobicContact CE1-CE1 4.27Å; Y335-F401 HydrophobicContact CE1-CZ 4.16Å; Y335-Y412 AromaticContact CD2-CE1 3.78Å; Y335-Y412 HydrophobicContact CD2-CE1 3.78Å; Y335-Y412 HydrophobicContact CE2-CE1 4.22Å; Y335-Y412 HydrophobicContact CG-CE1 4.11Å
336	S	94.8	Very high	91.1	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	137.1	172.9	-53.1	0	0	0	0	109.9	A180 C184 V359 R360	A180-S336 VanDerWaalsContact CA-OG 3.25Å; A180-S336 WeakPolarHBondContact CA-OG 3.48Å; A180-S336 PolarHBondContact O-OG 3.47Å; C184-S336 VanDerWaalsContact SG-CB 3.54Å; S336-V359 CarbonylContact O-C 3.55Å; S336-V359 VanDerWaalsContact O-CA 3.31Å; S336-V359 WeakPolarHBondContact O-CA 3.11Å; S336-R360 PolarHBondContact N-O 2.84Å; S336-R360 PolarHBondContact O-N 3.19Å
337	I	95.6	Very high	90.6	Very high	3 Å²	3	26.9 Å²	26.9	2%	0.015	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	111.7	168.3	-64.3	171.2	0	0	0	107.3	M300 M310 C312 V340 V357 F408 L415	M300-I337 HydrophobicContact CE-CD1 3.93Å; M310-I337 HydrophobicContact CB-CB 3.76Å; M310-I337 HydrophobicContact CB-CD1 4.21Å; M310-I337 HydrophobicContact CB-CG1 4.48Å; M310-I337 HydrophobicContact CB-CG2 4.18Å; M310-I337 HydrophobicContact CE-CG2 4.3Å; M310-I337 PolarHBondContact O-N 3.44Å; C312-I337 HydrophobicContact CB-CD1 4.08Å; C312-I337 HydrophobicContact CB-CG1 4.43Å; I337-V340 HydrophobicContact CG2-CG2 3.87Å; I337-V357 HydrophobicContact CG1-CG1 4.44Å; I337-V357 HydrophobicContact CG2-CG1 3.82Å; I337-F408 HydrophobicContact CD1-CE2 3.84Å; I337-F408 HydrophobicContact CD1-CZ 3.73Å; I337-F408 HydrophobicContact CG1-CE2 4.42Å; I337-L415 HydrophobicContact CD1-CD1 3.35Å
338	T	92.3	Very high	89.6	Confident	13 Å²	13	30.6 Å²	30.6	8%	0.08	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	-17.4	-172.5	67.3	0	0	0	0	113	M187 R358 R360 E400	M187-T338 HydrophobicContact CE-CG2 4.02Å; M187-T338 WeakPolarHBondContact SD-CB 3.42Å; M187-T338 HydrophobicContact SD-CG2 3.62Å; T338-R358 PolarHBondContact N-O 2.85Å; T338-R358 VanDerWaalsContact OG1-CG 3.31Å; T338-R358 WeakPolarHBondContact OG1-CG 3.29Å; T338-R358 PolarHBondContact OG1-NE 3.15Å; T338-R360 HydrophobicContact CG2-CB 3.8Å; T338-E400 VanDerWaalsContact CB-OE1 3.32Å; T338-E400 WeakPolarHBondContact CB-OE1 3.46Å; T338-E400 WeakPolarHBondContact CG2-OE1 3.26Å; T338-E400 PolarHBondContact OG1-OE1 3.41Å
339	S	93	Very high	88.5	Confident	9 Å²	9	38.7 Å²	38.7	6%	0.063	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	155.3	167.9	-158.3	0	0	0	0	113.6	Q304 V357 R358	Q304-S339 VanDerWaalsContact OE1-C 3.27Å; Q304-S339 PolarHBondContact OE1-OG 3.19Å; Q304-S339 VanDerWaalsContact OE1-OG 3.12Å; S339-V357 CarbonylContact O-C 3.59Å; S339-V357 WeakPolarHBondContact O-CA 3.3Å; S339-R358 PolarHBondContact N-O 2.8Å; S339-R358 PolarHBondContact O-N 2.82Å
340	V	94.1	Very high	87.5	Confident	1 Å²	1	46.6 Å²	46.6	1%	0.006	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	121.5	170.9	-171.2	0	0	0	0	106.6	L297 M300 L301 Q304 M310 I337 L356 V357	L297-V340 HydrophobicContact CD1-CG1 4.42Å; M300-V340 HydrophobicContact CB-CG1 4.23Å; M300-V340 HydrophobicContact CB-CG2 4.28Å; M300-V340 HydrophobicContact CE-CG2 3.89Å; L301-V340 HydrophobicContact CD2-CB 4.3Å; L301-V340 HydrophobicContact CD2-CG1 3.75Å; L301-V340 HydrophobicContact CG-CG1 4.02Å; Q304-V340 PolarHBondContact NE2-O 2.91Å; Q304-V340 PolarHBondContact OE1-O 3.14Å; M310-V340 HydrophobicContact CE-CG2 3.98Å; I337-V340 HydrophobicContact CG2-CG2 3.87Å; V340-L356 WeakPolarHBondContact CA-O 3.47Å; V340-V357 HydrophobicContact CG1-CG2 4.49Å; V340-V357 HydrophobicContact CG2-CG1 4.42Å
341	K	92.7	Very high	86.8	Confident	70 Å²	70	52.6 Å²	52.6	30%	0.304	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	145	-177.1	-73.7	-171.8	176.5	-173.4	0	112.4	L343 L356 L391 W402	K341-L343 HydrophobicContact CB-CD2 4.15Å; K341-L343 HydrophobicContact CB-CG 4.45Å; K341-L356 PolarHBondContact N-O 2.89Å; K341-L356 PolarHBondContact O-N 2.78Å; K341-L391 HydrophobicContact CD-CD2 3.61Å; K341-W402 HydrophobicContact CD-CH2 4.35Å
342	M	92.7	Very high	86.7	Confident	80 Å²	80	52.3 Å²	52.3	39%	0.394	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	119.4	167	-69.1	-64.3	-74.5	0	0	109	L297 L301 K353 P355	L297-M342 HydrophobicContact CD2-SD 4.21Å; L301-M342 HydrophobicContact CD1-CG 3.85Å; L301-M342 HydrophobicContact CD1-SD 4.38Å; L301-M342 HydrophobicContact CD2-CG 4.3Å; M342-K353 HydrophobicContact CE-CB 3.86Å; M342-K353 HydrophobicContact CE-CD 4.47Å; M342-P355 HydrophobicContact SD-CB 3.56Å; M342-P355 VanDerWaalsContact SD-CB 3.56Å; M342-P355 HydrophobicContact SD-CG 4.29Å
343	L	90.4	Very high	86.8	Confident	11 Å²	11	57.4 Å²	57.4	6%	0.058	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	140.2	-178	-57.2	177.8	0	0	0	111.2	K341 K353 I354 L356 I383 L391	K341-L343 HydrophobicContact CB-CD2 4.15Å; K341-L343 HydrophobicContact CB-CG 4.45Å; L343-K353 CarbonylContact O-C 3.58Å; L343-K353 VanDerWaalsContact O-CA 3.25Å; L343-K353 WeakPolarHBondContact O-CA 3.41Å; L343-I354 HydrophobicContact CB-CG2 4.32Å; L343-I354 PolarHBondContact N-O 2.83Å; L343-I354 PolarHBondContact O-N 3.41Å; L343-L356 HydrophobicContact CD1-CB 4.42Å; L343-L356 HydrophobicContact CD1-CD1 3.47Å; L343-L356 VanDerWaalsContact CD1-CD1 3.47Å; L343-L356 HydrophobicContact CD1-CG 3.94Å; L343-I383 HydrophobicContact CB-CD1 4.12Å; L343-I383 HydrophobicContact CD1-CD1 3.63Å; L343-L391 HydrophobicContact CD1-CD1 3.66Å; L343-L391 HydrophobicContact CD1-CD2 4.13Å; L343-L391 HydrophobicContact CD1-CG 4.45Å; L343-L391 HydrophobicContact CD2-CD1 4.29Å; L343-L391 HydrophobicContact CD2-CD2 3.91Å; L343-L391 HydrophobicContact CD2-CG 4.35Å
344	D	89.3	Confident	86.9	Confident	80 Å²	80	58.9 Å²	58.9	43%	0.428	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	129	171.7	-54.9	-65.4	0	0	0	109.3	G352 K353 Q387	D344-G352 CarbonylContact C-O 3.58Å; D344-G352 WeakPolarHBondContact CA-O 3.25Å; D344-K353 WeakPolarHBondContact OD1-CE 3.41Å; D344-K353 WeakPolarHBondContact OD1-CG 3.47Å; D344-Q387 PolarHBondContact O-OE1 2.83Å; D344-Q387 PolarHBondContact OD2-NE2 3.15Å
345	I	88.3	Confident	87.1	Confident	25 Å²	25	59.9 Å²	59.9	13%	0.128	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	142.6	174.8	52.1	165.7	0	0	0	109.8	I347 T351 G352 I354 W373 L382 I383	I345-I347 HydrophobicContact CD1-CD1 4.2Å; I345-T351 WeakPolarHBondContact O-CA 3.49Å; I345-G352 WeakPolarHBondContact CG1-O 3.16Å; I345-G352 PolarHBondContact N-O 2.81Å; I345-G352 PolarHBondContact O-N 3.18Å; I345-I354 HydrophobicContact CD1-CB 4.21Å; I345-I354 HydrophobicContact CG2-CB 4.32Å; I345-I354 HydrophobicContact CG2-CG2 3.52Å; I345-W373 HydrophobicContact CG2-CH2 3.95Å; I345-W373 HydrophobicContact CG2-CZ2 4.28Å; I345-L382 HydrophobicContact CG2-CB 4.48Å; I345-I383 HydrophobicContact CG2-CD1 4.4Å; I345-I383 HydrophobicContact CG2-CG1 3.9Å
346	S	81.9	Confident	87.1	Confident	77 Å²	77	59.9 Å²	59.9	54%	0.538	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	112.9	175	-168.7	0	0	0	0	109.8	L382	S346-L382 PolarHBondContact N-O 2.79Å
347	I	78.5	Confident	87.1	Confident	82 Å²	82	59.9 Å²	59.9	42%	0.421	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	149.3	172.9	-57.1	174.9	0	0	0	106.7	I345 N349 K350 L382	I345-I347 HydrophobicContact CD1-CD1 4.2Å; I347-N349 PolarHBondContact O-N 2.93Å; I347-K350 PolarHBondContact N-O 3.35Å; I347-K350 CarbonylContact O-C 3.53Å; I347-K350 PolarHBondContact O-N 3.18Å; I347-L382 HydrophobicContact CG1-CD2 4.43Å
348	P	71.6	Confident	87.1	Confident	112 Å²	112	61.4 Å²	61.4	73%	0.727	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.3	117.6	174.7	-29.1	35.4	0	0	0	111.7
349	N	68.8	Low	87.3	Confident	170 Å²	170	60.8 Å²	60.8	91%	0.909	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.7	6.7	-178.7	-50.2	-35.1	0	0	0	117.9	I347	I347-N349 PolarHBondContact O-N 2.93Å
350	K	70.5	Confident	87.3	Confident	166 Å²	166	60.4 Å²	60.4	72%	0.722	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-149	131.6	173.1	-76.4	-172	177.2	178.1	0	112.7	I347	I347-K350 PolarHBondContact N-O 3.35Å; I347-K350 CarbonylContact O-C 3.53Å; I347-K350 PolarHBondContact O-N 3.18Å
351	T	76.6	Confident	87.2	Confident	127 Å²	127	60.3 Å²	60.3	78%	0.779	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.9	144.6	162.6	50.8	0	0	0	0	109.4	I345	I345-T351 WeakPolarHBondContact O-CA 3.49Å
352	G	86.2	Confident	86.8	Confident	33 Å²	33	57 Å²	57	34%	0.34	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	175.6	178.4	0	0	0	0	0	111.2	D344 I345	D344-G352 CarbonylContact C-O 3.58Å; D344-G352 WeakPolarHBondContact CA-O 3.25Å; I345-G352 WeakPolarHBondContact CG1-O 3.16Å; I345-G352 PolarHBondContact N-O 2.81Å; I345-G352 PolarHBondContact O-N 3.18Å
353	K	89.5	Confident	86.4	Confident	139 Å²	139	55.8 Å²	55.8	60%	0.604	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.4	140.7	171.5	-65.9	-170.5	176.2	-169.2	0	110.1	M342 L343 D344	M342-K353 HydrophobicContact CE-CB 3.86Å; M342-K353 HydrophobicContact CE-CD 4.47Å; L343-K353 CarbonylContact O-C 3.58Å; L343-K353 VanDerWaalsContact O-CA 3.25Å; L343-K353 WeakPolarHBondContact O-CA 3.41Å; D344-K353 WeakPolarHBondContact OD1-CE 3.41Å; D344-K353 WeakPolarHBondContact OD1-CG 3.47Å
354	I	91.5	Very high	86	Confident	33 Å²	33	55.7 Å²	55.7	17%	0.169	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	129.6	172.8	-164.1	169.7	0	0	0	110.3	L343 I345 L356 W373	L343-I354 HydrophobicContact CB-CG2 4.32Å; L343-I354 PolarHBondContact N-O 2.83Å; L343-I354 PolarHBondContact O-N 3.41Å; I345-I354 HydrophobicContact CD1-CB 4.21Å; I345-I354 HydrophobicContact CG2-CB 4.32Å; I345-I354 HydrophobicContact CG2-CG2 3.52Å; I354-L356 HydrophobicContact CD1-CD2 4.18Å; I354-L356 HydrophobicContact CG1-CD2 4.16Å; I354-L356 HydrophobicContact CG2-CD2 4.09Å; I354-L356 HydrophobicContact CG2-CG 4.22Å; I354-W373 HydrophobicContact CD1-CZ2 3.86Å; I354-W373 HydrophobicContact CG2-CZ2 4.25Å
355	P	94.7	Very high	85.8	Confident	27 Å²	27	53.6 Å²	53.6	18%	0.175	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	121.6	168	27.1	-31.5	0	0	0	110.7	L297 M342 Y405	L297-P355 HydrophobicContact CD1-CB 3.61Å; L297-P355 HydrophobicContact CD1-CG 4.48Å; L297-P355 HydrophobicContact CD2-CB 3.69Å; L297-P355 HydrophobicContact CD2-CG 3.86Å; L297-P355 HydrophobicContact CG-CB 4.31Å; M342-P355 HydrophobicContact SD-CB 3.56Å; M342-P355 VanDerWaalsContact SD-CB 3.56Å; M342-P355 HydrophobicContact SD-CG 4.29Å; P355-Y405 HydrophobicContact CB-CG 4.39Å; P355-Y405 HydrophobicContact CG-CD1 4.42Å; P355-Y405 HydrophobicContact CG-CG 4.35Å; P355-Y405 PolarHBondContact O-N 3.29Å
356	L	95.4	Very high	85.5	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	146.7	170.3	-57.6	-168.2	0	0	0	111.1	V340 K341 L343 I354 W373 W380 I383 W402 M403	V340-L356 WeakPolarHBondContact CA-O 3.47Å; K341-L356 PolarHBondContact N-O 2.89Å; K341-L356 PolarHBondContact O-N 2.78Å; L343-L356 HydrophobicContact CD1-CB 4.42Å; L343-L356 HydrophobicContact CD1-CD1 3.47Å; L343-L356 VanDerWaalsContact CD1-CD1 3.47Å; L343-L356 HydrophobicContact CD1-CG 3.94Å; I354-L356 HydrophobicContact CD1-CD2 4.18Å; I354-L356 HydrophobicContact CG1-CD2 4.16Å; I354-L356 HydrophobicContact CG2-CD2 4.09Å; I354-L356 HydrophobicContact CG2-CG 4.22Å; L356-W373 HydrophobicContact CD1-CD2 3.92Å; L356-W373 HydrophobicContact CD1-CE3 3.86Å; L356-W373 HydrophobicContact CD1-CG 4.24Å; L356-W373 HydrophobicContact CD1-CZ3 4.39Å; L356-W373 HydrophobicContact CD2-CD2 3.9Å; L356-W373 HydrophobicContact CD2-CG 3.82Å; L356-W380 HydrophobicContact CD1-CH2 4.08Å; L356-W380 HydrophobicContact CD1-CZ3 4.17Å; L356-I383 HydrophobicContact CD1-CD1 4.49Å; L356-W402 HydrophobicContact CB-CE3 3.62Å; L356-W402 HydrophobicContact CB-CZ3 4Å; L356-W402 HydrophobicContact CD1-CE3 4.39Å; L356-M403 WeakPolarHBondContact CA-O 3.43Å
357	V	96.2	Very high	85.7	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	129.9	175.3	-173.8	0	0	0	0	107.7	M300 I337 S339 V340 V359 W402 M403 Y405 F408	M300-V357 HydrophobicContact CE-CG1 4.21Å; M300-V357 HydrophobicContact CE-CG2 4.23Å; I337-V357 HydrophobicContact CG1-CG1 4.44Å; I337-V357 HydrophobicContact CG2-CG1 3.82Å; S339-V357 CarbonylContact O-C 3.59Å; S339-V357 WeakPolarHBondContact O-CA 3.3Å; V340-V357 HydrophobicContact CG1-CG2 4.49Å; V340-V357 HydrophobicContact CG2-CG1 4.42Å; V357-V359 HydrophobicContact CG1-CG2 3.86Å; V357-W402 WeakPolarHBondContact O-CA 3.28Å; V357-M403 PolarHBondContact N-O 3.34Å; V357-M403 PolarHBondContact O-N 3.3Å; V357-Y405 HydrophobicContact CG2-CD2 4.24Å; V357-F408 HydrophobicContact CG1-CD2 4.18Å; V357-F408 HydrophobicContact CG1-CE2 4.44Å; V357-F408 HydrophobicContact CG2-CB 4.29Å; V357-F408 HydrophobicContact CG2-CG 4.28Å
358	R	95	Very high	86.3	Confident	34 Å²	34	51.1 Å²	51.1	13%	0.128	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	125.7	171.6	-165.6	171.9	59.4	-175	-4.4	109.1	T338 S339 E400 F401 W402	T338-R358 PolarHBondContact N-O 2.85Å; T338-R358 VanDerWaalsContact OG1-CG 3.31Å; T338-R358 WeakPolarHBondContact OG1-CG 3.29Å; T338-R358 PolarHBondContact OG1-NE 3.15Å; S339-R358 PolarHBondContact N-O 2.8Å; S339-R358 PolarHBondContact O-N 2.82Å; R358-E400 WeakPolarHBondContact CD-OE2 3.45Å; R358-E400 HydrophobicContact CG-CG 3.62Å; R358-E400 IonicContact CZ-OE2 3.51Å; R358-E400 IonicContact NE-OE1 2.61Å; R358-E400 PolarHBondContact NE-OE1 3.3Å; R358-E400 IonicContact NE-OE2 2.72Å; R358-E400 PolarHBondContact NE-OE2 2.88Å; R358-E400 IonicContact NH1-OE2 2.75Å; R358-F401 WeakPolarHBondContact CA-O 3.41Å; R358-W402 HydrophobicContact CB-CD2 3.7Å; R358-W402 HydrophobicContact CB-CE3 3.69Å; R358-W402 HydrophobicContact CB-CG 4.38Å; R358-W402 HydrophobicContact CB-CH2 3.83Å; R358-W402 HydrophobicContact CB-CZ2 3.82Å; R358-W402 HydrophobicContact CB-CZ3 3.77Å; R358-W402 VanDerWaalsContact CD-CE2 3.49Å; R358-W402 HydrophobicContact CG-CD2 4Å; R358-W402 HydrophobicContact CG-CE3 4.49Å; R358-W402 HydrophobicContact CG-CG 4.3Å; R358-W402 HydrophobicContact CG-CZ2 4.12Å
359	V	95.2	Very high	87.3	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	142.1	-173.7	-174.7	0	0	0	0	108.5	Y335 S336 V357 E400 F401 M403 F408	Y335-V359 HydrophobicContact CD1-CG1 3.8Å; Y335-V359 HydrophobicContact CG-CG1 4.02Å; S336-V359 CarbonylContact O-C 3.55Å; S336-V359 VanDerWaalsContact O-CA 3.31Å; S336-V359 WeakPolarHBondContact O-CA 3.11Å; V357-V359 HydrophobicContact CG1-CG2 3.86Å; V359-E400 CarbonylContact O-C 3.52Å; V359-E400 WeakPolarHBondContact O-CA 3.13Å; V359-F401 HydrophobicContact CB-CD2 4.36Å; V359-F401 HydrophobicContact CB-CE2 3.8Å; V359-F401 HydrophobicContact CB-CZ 4.04Å; V359-F401 HydrophobicContact CG1-CE2 4.31Å; V359-F401 HydrophobicContact CG1-CZ 4.11Å; V359-F401 HydrophobicContact CG2-CE2 4.49Å; V359-F401 PolarHBondContact N-O 3.46Å; V359-F401 PolarHBondContact O-N 3.37Å; V359-M403 HydrophobicContact CG2-SD 4.28Å; V359-F408 HydrophobicContact CG2-CD2 4.44Å
360	R	93.4	Very high	88.5	Confident	1 Å²	1	44.4 Å²	44.4	0%	0.004	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	129.1	178.3	-177.4	178.8	-179.6	-90.5	-6.7	111.6	R165 V168 Y335 S336 T338 G399 E400	R165-R360 PolarHBondContact O-NH1 3.21Å; R165-R360 PolarHBondContact O-NH2 3.14Å; V168-R360 PolarHBondContact O-NH1 3.45Å; V168-R360 PolarHBondContact O-NH2 2.93Å; Y335-R360 WeakPolarHBondContact CA-O 3.43Å; S336-R360 PolarHBondContact N-O 2.84Å; S336-R360 PolarHBondContact O-N 3.19Å; T338-R360 HydrophobicContact CG2-CB 3.8Å; R360-G399 CarbonylContact C-O 3.59Å; R360-G399 WeakPolarHBondContact CA-O 3.37Å; R360-E400 HydrophobicContact CB-CB 4.26Å; R360-E400 HydrophobicContact CB-CG 4.35Å; R360-E400 HydrophobicContact CG-CB 4.26Å
361	N	91.8	Very high	89.6	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.199	C	C	.	.			trans	-80.8	123.6	167.7	-172.4	-15.8	0	0	0	110.2	H333 Y335 W363 G364 S367 G399	H333-N361 PolarHBondContact CD2-OD1 2.71Å; H333-N361 PolarHBondContact NE2-OD1 3.45Å; Y335-N361 HydrophobicContact CD1-CB 4.04Å; Y335-N361 HydrophobicContact CE1-CB 3.64Å; N361-W363 PolarHBondContact O-N 3.36Å; N361-W363 VanDerWaalsContact O-N 3.11Å; N361-W363 PolarHBondContact OD1-N 2.58Å; N361-W363 VanDerWaalsContact OD1-N 3.11Å; N361-G364 PolarHBondContact O-N 3.21Å; N361-S367 VanDerWaalsContact ND2-CB 3.35Å; N361-S367 WeakPolarHBondContact ND2-CB 3.28Å; N361-S367 PolarHBondContact ND2-O 2.88Å; N361-S367 VanDerWaalsContact ND2-O 3.07Å; N361-G399 WeakPolarHBondContact CB-O 3.49Å; N361-G399 PolarHBondContact N-O 2.83Å
362	P	85.4	Confident	90.3	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-8	179.9	26.9	-36.1	0	0	0	115.2	R169 Q170 C176 L179 H333 A334 G364	R169-P362 WeakPolarHBondContact CA-O 3.4Å; Q170-P362 PolarHBondContact N-O 3.28Å; C176-P362 HydrophobicContact CB-CG 4.29Å; L179-P362 HydrophobicContact CB-CB 3.8Å; H333-P362 WeakPolarHBondContact NE2-CD 3.07Å; H333-P362 WeakPolarHBondContact NE2-CG 3.34Å; A334-P362 WeakPolarHBondContact O-CD 3.37Å; A334-P362 WeakPolarHBondContact O-CG 3.4Å; P362-G364 PolarHBondContact O-N 3.35Å
363	W	83.7	Confident	90.7	Very high	55 Å²	55	32 Å²	32	21%	0.208	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-29.1	171.5	-66.8	-2.1	0	0	0	112.6	R169 Q170 E322 I330 H333 N361	R169-W363 PolarHBondContact NE-O 3.33Å; Q170-W363 VanDerWaalsContact OE1-CD1 3.28Å; E322-W363 HydrophobicContact CB-CZ2 4.25Å; E322-W363 WeakPolarHBondContact OE2-CZ2 3.36Å; I330-W363 HydrophobicContact CD1-CH2 3.95Å; I330-W363 HydrophobicContact CD1-CZ3 3.85Å; I330-W363 HydrophobicContact CG1-CH2 3.99Å; I330-W363 HydrophobicContact CG1-CZ3 4.02Å; I330-W363 HydrophobicContact CG2-CH2 4.05Å; I330-W363 HydrophobicContact CG2-CZ2 4.18Å; H333-W363 AromaticContact CE1-CD1 3.71Å; H333-W363 AromaticContact CE1-NE1 3.32Å; H333-W363 PolarHBondContact CE1-NE1 2.9Å; H333-W363 VanDerWaalsContact CE1-NE1 3.32Å; H333-W363 AromaticContact NE2-CD1 3.73Å; H333-W363 AromaticContact NE2-NE1 3.58Å; N361-W363 PolarHBondContact O-N 3.36Å; N361-W363 VanDerWaalsContact O-N 3.11Å; N361-W363 PolarHBondContact OD1-N 2.58Å; N361-W363 VanDerWaalsContact OD1-N 3.11Å
364	G	82.7	Confident	90.8	Very high	9 Å²	9	25.9 Å²	25.9	9%	0.093	13%	0.134	C	C	.	.			trans	60	46.9	-178.3	0	0	0	0	0	112.4	R169 N361 P362 D398	R169-G364 VanDerWaalsContact CZ-O 3.27Å; R169-G364 PolarHBondContact NE-O 2.93Å; R169-G364 PolarHBondContact NH2-O 3.09Å; N361-G364 PolarHBondContact O-N 3.21Å; P362-G364 PolarHBondContact O-N 3.35Å; G364-D398 WeakPolarHBondContact CA-O 3.41Å
365	D	83.7	Confident	90.6	Very high	36 Å²	36	25.2 Å²	25.2	19%	0.193	13%	0.131	C	C	.	.	S	Bend	trans	-140.6	-175.6	-178.9	72.5	9.4	0	0	0	110.8	S367 G399	D365-S367 PolarHBondContact O-N 2.89Å; D365-S367 WeakPolarHBondContact OD1-CB 3.48Å; D365-S367 PolarHBondContact OD1-N 3.01Å; D365-S367 PolarHBondContact OD1-OG 3.5Å; D365-G399 VanDerWaalsContact O-CA 3.31Å; D365-G399 WeakPolarHBondContact O-CA 3.3Å; D365-G399 PolarHBondContact O-N 2.97Å
366	E	82.7	Confident	90.3	Very high	115 Å²	115	32.6 Å²	32.6	54%	0.537	16%	0.16	S	C	.	.	S	Bend	trans	-66.2	9.5	-177	70.5	-89.3	-165.5	0	0	115.6	E368 D397	E366-E368 PolarHBondContact O-N 2.93Å; E366-D397 HydrophobicContact CB-CB 3.94Å
367	S	86.4	Confident	90.1	Very high	3 Å²	3	33.4 Å²	33.4	2%	0.021	17%	0.166	C	C	.	.			trans	-78	64	177.7	-54.7	0	0	0	0	112.9	R324 N361 D365	R324-S367 VanDerWaalsContact NH2-CB 3.34Å; R324-S367 PolarHBondContact NH2-OG 3.33Å; N361-S367 VanDerWaalsContact ND2-CB 3.35Å; N361-S367 WeakPolarHBondContact ND2-CB 3.28Å; N361-S367 PolarHBondContact ND2-O 2.88Å; N361-S367 VanDerWaalsContact ND2-O 3.07Å; D365-S367 PolarHBondContact O-N 2.89Å; D365-S367 WeakPolarHBondContact OD1-CB 3.48Å; D365-S367 PolarHBondContact OD1-N 3.01Å; D365-S367 PolarHBondContact OD1-OG 3.5Å
368	E	90.8	Very high	89.8	Confident	13 Å²	13	42 Å²	42	6%	0.061	20%	0.203	C	C	.	.			trans	-114	163.8	-173.6	-62.5	172.8	-169.7	0	0	113	G328 E366 D397 D398 G399 F401	G328-E368 WeakPolarHBondContact CA-O 3.14Å; E366-E368 PolarHBondContact O-N 2.93Å; E368-D397 WeakPolarHBondContact OE1-CA 3.38Å; E368-D398 PolarHBondContact OE1-N 3.14Å; E368-D398 VanDerWaalsContact OE1-N 3.11Å; E368-G399 WeakPolarHBondContact OE1-CA 3.38Å; E368-G399 PolarHBondContact OE1-N 3.42Å; E368-F401 HydrophobicContact CB-CB 4.31Å; E368-F401 HydrophobicContact CB-CD1 3.71Å; E368-F401 HydrophobicContact CB-CE1 4.43Å; E368-F401 HydrophobicContact CB-CG 4.31Å; E368-F401 HydrophobicContact CG-CD1 3.9Å
369	W	93.9	Very high	89.6	Confident	16 Å²	16	43.5 Å²	43.5	6%	0.061	21%	0.211	C	C	.	.			trans	-58.5	135.7	174.1	172.4	-116.2	0	0	0	112	N327 L329 G371 A372 S374 F401 M403 D407	N327-W369 HydrophobicContact CB-CE3 4.01Å; N327-W369 HydrophobicContact CB-CH2 4.33Å; N327-W369 HydrophobicContact CB-CZ3 3.55Å; L329-W369 HydrophobicContact CD1-CE3 3.9Å; L329-W369 HydrophobicContact CD1-CZ3 3.97Å; L329-W369 HydrophobicContact CD2-CB 4.36Å; L329-W369 HydrophobicContact CD2-CE3 4.16Å; L329-W369 HydrophobicContact CG-CE3 3.9Å; L329-W369 HydrophobicContact CG-CZ3 4.36Å; W369-G371 VanDerWaalsContact NE1-C 3.29Å; W369-A372 PolarHBondContact NE1-O 3.36Å; W369-S374 WeakPolarHBondContact O-CB 3.24Å; W369-F401 HydrophobicContact CB-CB 4.28Å; W369-F401 HydrophobicContact CB-CD1 4.3Å; W369-F401 HydrophobicContact CB-CD2 3.23Å; W369-F401 HydrophobicContact CB-CE1 4.5Å; W369-F401 HydrophobicContact CB-CE2 3.49Å; W369-F401 VanDerWaalsContact CB-CE2 3.49Å; W369-F401 HydrophobicContact CB-CG 3.68Å; W369-F401 HydrophobicContact CB-CZ 4.12Å; W369-F401 HydrophobicContact CG-CD2 4.17Å; W369-F401 HydrophobicContact CG-CE2 4.42Å; W369-M403 HydrophobicContact CD2-CE 4.38Å; W369-M403 HydrophobicContact CE3-CE 4.41Å; W369-M403 HydrophobicContact CG-CB 4.46Å; W369-M403 HydrophobicContact CH2-CE 4.48Å; W369-M403 HydrophobicContact CZ2-CE 4.43Å; W369-M403 HydrophobicContact CZ3-CE 4.44Å; W369-D407 HydrophobicContact CH2-CB 4.34Å; W369-D407 HydrophobicContact CZ2-CB 4.01Å
370	K	92.7	Very high	89.4	Confident	125 Å²	125	43.9 Å²	43.9	54%	0.543	21%	0.213	S	C	.	.			trans	-110.3	2.8	-178	-61.5	179.7	-178.5	174.8	0	114.3	N327	N327-K370 WeakPolarHBondContact O-CB 3.48Å; N327-K370 PolarHBondContact O-N 2.98Å
371	G	93.2	Very high	89.2	Confident	25 Å²	25	48 Å²	48	26%	0.258	24%	0.242	S	C	.	.	S	Bend	trans	-89.9	-156.1	-178.6	0	0	0	0	0	113	W369 S374 S377	W369-G371 VanDerWaalsContact NE1-C 3.29Å; G371-S374 VanDerWaalsContact O-CB 3.22Å; G371-S374 WeakPolarHBondContact O-CB 3.29Å; G371-S374 PolarHBondContact O-N 2.73Å; G371-S374 PolarHBondContact O-OG 2.96Å; G371-S377 PolarHBondContact O-OG 2.99Å
372	A	92.8	Very high	89	Confident	29 Å²	29	50.5 Å²	50.5	24%	0.24	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	137.7	177.6	0	0	0	0	0	111.2	W369 S374 S377 E379	W369-A372 PolarHBondContact NE1-O 3.36Å; A372-S374 PolarHBondContact O-N 3.22Å; A372-S377 WeakPolarHBondContact CA-OG 3.37Å; A372-E379 HydrophobicContact CB-CG 4.35Å
373	W	93.1	Very high	89.1	Confident	11 Å²	11	50.7 Å²	50.7	4%	0.042	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.4	6.8	-176.3	-51.1	98.4	0	0	0	116.1	I345 I354 L356 S377 E379 W380 L382 I383 W402	I345-W373 HydrophobicContact CG2-CH2 3.95Å; I345-W373 HydrophobicContact CG2-CZ2 4.28Å; I354-W373 HydrophobicContact CD1-CZ2 3.86Å; I354-W373 HydrophobicContact CG2-CZ2 4.25Å; L356-W373 HydrophobicContact CD1-CD2 3.92Å; L356-W373 HydrophobicContact CD1-CE3 3.86Å; L356-W373 HydrophobicContact CD1-CG 4.24Å; L356-W373 HydrophobicContact CD1-CZ3 4.39Å; L356-W373 HydrophobicContact CD2-CD2 3.9Å; L356-W373 HydrophobicContact CD2-CG 3.82Å; W373-S377 PolarHBondContact N-OG 3.1Å; W373-E379 HydrophobicContact CD2-CB 3.84Å; W373-E379 HydrophobicContact CE3-CB 3.89Å; W373-E379 HydrophobicContact CG-CB 4.47Å; W373-E379 HydrophobicContact CH2-CB 4.04Å; W373-E379 VanDerWaalsContact CH2-O 3.3Å; W373-E379 WeakPolarHBondContact CH2-O 3.47Å; W373-E379 HydrophobicContact CZ2-CB 3.98Å; W373-E379 VanDerWaalsContact CZ3-C 3.48Å; W373-E379 HydrophobicContact CZ3-CB 3.99Å; W373-E379 VanDerWaalsContact CZ3-O 3.23Å; W373-E379 WeakPolarHBondContact CZ3-O 3.33Å; W373-W380 HydrophobicContact CB-CZ2 4.47Å; W373-W380 AromaticContact CE3-CD2 3.98Å; W373-W380 HydrophobicContact CE3-CD2 3.98Å; W373-W380 AromaticContact CE3-CE3 3.79Å; W373-W380 HydrophobicContact CE3-CE3 3.79Å; W373-W380 HydrophobicContact CE3-CH2 4.23Å; W373-W380 HydrophobicContact CE3-CZ2 4.44Å; W373-W380 AromaticContact CE3-CZ3 3.91Å; W373-W380 HydrophobicContact CE3-CZ3 3.91Å; W373-W380 HydrophobicContact CZ3-CD2 4.33Å; W373-W380 AromaticContact CZ3-CE3 3.88Å; W373-W380 HydrophobicContact CZ3-CE3 3.88Å; W373-W380 HydrophobicContact CZ3-CZ3 4.2Å; W373-W380 VanDerWaalsContact O-CZ2 3.24Å; W373-W380 WeakPolarHBondContact O-CZ2 3.27Å; W373-W380 PolarHBondContact O-NE1 3.5Å; W373-L382 HydrophobicContact CH2-CB 4.36Å; W373-I383 HydrophobicContact CE3-CD1 4.28Å; W373-I383 HydrophobicContact CH2-CD1 3.67Å; W373-I383 HydrophobicContact CH2-CG1 3.85Å; W373-I383 HydrophobicContact CZ3-CD1 3.34Å; W373-I383 HydrophobicContact CZ3-CG1 3.81Å; W373-W402 CarbonylContact C-O 3.52Å; W373-W402 VanDerWaalsContact C-O 3.26Å; W373-W402 HydrophobicContact CB-CB 4.4Å
374	S	92.7	Very high	89.2	Confident	11 Å²	11	50 Å²	50	8%	0.077	26%	0.259	C	S	.	.	S	Bend	trans	-57.1	166.2	164	59.5	0	0	0	0	112.4	W369 G371 A372 K376 S377 W380	W369-S374 WeakPolarHBondContact O-CB 3.24Å; G371-S374 VanDerWaalsContact O-CB 3.22Å; G371-S374 WeakPolarHBondContact O-CB 3.29Å; G371-S374 PolarHBondContact O-N 2.73Å; G371-S374 PolarHBondContact O-OG 2.96Å; A372-S374 PolarHBondContact O-N 3.22Å; S374-K376 PolarHBondContact O-N 2.83Å; S374-K376 VanDerWaalsContact O-N 3.11Å; S374-S377 WeakPolarHBondContact O-CB 3.39Å; S374-S377 PolarHBondContact O-N 2.69Å; S374-W380 PolarHBondContact O-NE1 2.74Å
375	D	87.7	Confident	89.4	Confident	20 Å²	20	53.8 Å²	53.8	11%	0.107	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-33.7	-177.8	-78	29.4	0	0	0	113.8	F395	D375-F395 HydrophobicContact CB-CD1 3.86Å; D375-F395 WeakPolarHBondContact O-CD1 3.35Å; D375-F395 VanDerWaalsContact O-CE1 3.24Å; D375-F395 WeakPolarHBondContact O-CE1 3.39Å; D375-F395 WeakPolarHBondContact OD2-CA 3.43Å
376	K	87.6	Confident	89.5	Confident	181 Å²	181	57.4 Å²	57.4	79%	0.787	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.5	10.2	-180	-63.5	168.5	-173.5	155.7	0	112.7	S374	S374-K376 PolarHBondContact O-N 2.83Å; S374-K376 VanDerWaalsContact O-N 3.11Å
377	S	91.1	Very high	89.7	Confident	17 Å²	17	53.6 Å²	53.6	12%	0.119	28%	0.28	C	S	.	.			trans	-74	141.8	-174.7	-147.3	0	0	0	0	112.3	G371 A372 W373 S374 E379	G371-S377 PolarHBondContact O-OG 2.99Å; A372-S377 WeakPolarHBondContact CA-OG 3.37Å; W373-S377 PolarHBondContact N-OG 3.1Å; S374-S377 WeakPolarHBondContact O-CB 3.39Å; S374-S377 PolarHBondContact O-N 2.69Å; S377-E379 VanDerWaalsContact C-N 3.27Å; S377-E379 WeakPolarHBondContact CB-OE2 3.38Å; S377-E379 PolarHBondContact O-N 3.34Å; S377-E379 VanDerWaalsContact OG-CD 3.24Å; S377-E379 PolarHBondContact OG-OE2 2.9Å
378	K	91.3	Very high	89.6	Confident	181 Å²	181	57.2 Å²	57.2	79%	0.787	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-74	-23.6	178.5	-65.4	178.6	-178	175.4	0	112.1	W380 S381	K378-W380 PolarHBondContact O-N 2.78Å; K378-W380 VanDerWaalsContact O-N 3.15Å; K378-S381 VanDerWaalsContact O-CB 3.23Å; K378-S381 WeakPolarHBondContact O-CB 3.45Å; K378-S381 PolarHBondContact O-N 2.89Å; K378-S381 PolarHBondContact O-OG 3.42Å
379	E	90.6	Very high	89.3	Confident	65 Å²	65	64.3 Å²	64.3	30%	0.304	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-57.2	-27.7	-177	-72.8	80	167.9	0	0	112.3	A372 W373 S377 S381 L382	A372-E379 HydrophobicContact CB-CG 4.35Å; W373-E379 HydrophobicContact CD2-CB 3.84Å; W373-E379 HydrophobicContact CE3-CB 3.89Å; W373-E379 HydrophobicContact CG-CB 4.47Å; W373-E379 HydrophobicContact CH2-CB 4.04Å; W373-E379 VanDerWaalsContact CH2-O 3.3Å; W373-E379 WeakPolarHBondContact CH2-O 3.47Å; W373-E379 HydrophobicContact CZ2-CB 3.98Å; W373-E379 VanDerWaalsContact CZ3-C 3.48Å; W373-E379 HydrophobicContact CZ3-CB 3.99Å; W373-E379 VanDerWaalsContact CZ3-O 3.23Å; W373-E379 WeakPolarHBondContact CZ3-O 3.33Å; S377-E379 VanDerWaalsContact C-N 3.27Å; S377-E379 WeakPolarHBondContact CB-OE2 3.38Å; S377-E379 PolarHBondContact O-N 3.34Å; S377-E379 VanDerWaalsContact OG-CD 3.24Å; S377-E379 PolarHBondContact OG-OE2 2.9Å; E379-S381 PolarHBondContact O-N 3.04Å; E379-L382 VanDerWaalsContact O-CB 3.22Å; E379-L382 WeakPolarHBondContact O-CB 3.24Å; E379-L382 VanDerWaalsContact O-CG 3.31Å; E379-L382 WeakPolarHBondContact O-CG 3.22Å; E379-L382 PolarHBondContact O-N 3.2Å
380	W	90.4	Very high	88.8	Confident	8 Å²	8	70.7 Å²	70.7	3%	0.03	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-53.3	-30.3	171.1	-69.6	119.3	0	0	0	112.5	L356 W373 S374 K378 L382 I383 R388 L391 L393 F395 W402	L356-W380 HydrophobicContact CD1-CH2 4.08Å; L356-W380 HydrophobicContact CD1-CZ3 4.17Å; W373-W380 HydrophobicContact CB-CZ2 4.47Å; W373-W380 AromaticContact CE3-CD2 3.98Å; W373-W380 HydrophobicContact CE3-CD2 3.98Å; W373-W380 AromaticContact CE3-CE3 3.79Å; W373-W380 HydrophobicContact CE3-CE3 3.79Å; W373-W380 HydrophobicContact CE3-CH2 4.23Å; W373-W380 HydrophobicContact CE3-CZ2 4.44Å; W373-W380 AromaticContact CE3-CZ3 3.91Å; W373-W380 HydrophobicContact CE3-CZ3 3.91Å; W373-W380 HydrophobicContact CZ3-CD2 4.33Å; W373-W380 AromaticContact CZ3-CE3 3.88Å; W373-W380 HydrophobicContact CZ3-CE3 3.88Å; W373-W380 HydrophobicContact CZ3-CZ3 4.2Å; W373-W380 VanDerWaalsContact O-CZ2 3.24Å; W373-W380 WeakPolarHBondContact O-CZ2 3.27Å; W373-W380 PolarHBondContact O-NE1 3.5Å; S374-W380 PolarHBondContact O-NE1 2.74Å; K378-W380 PolarHBondContact O-N 2.78Å; K378-W380 VanDerWaalsContact O-N 3.15Å; W380-L382 PolarHBondContact O-N 2.73Å; W380-L382 VanDerWaalsContact O-N 3.08Å; W380-I383 HydrophobicContact CE3-CD1 4.21Å; W380-I383 HydrophobicContact CZ3-CD1 4.11Å; W380-I383 PolarHBondContact O-N 2.83Å; W380-I383 VanDerWaalsContact O-N 3.11Å; W380-R388 PolarHBondContact O-NE 2.88Å; W380-R388 PolarHBondContact O-NH2 3.31Å; W380-L391 HydrophobicContact CZ3-CD1 4.06Å; W380-L393 HydrophobicContact CD2-CD1 4.19Å; W380-L393 HydrophobicContact CE3-CD1 3.67Å; W380-L393 HydrophobicContact CE3-CD2 4.46Å; W380-L393 HydrophobicContact CH2-CD1 4.05Å; W380-L393 HydrophobicContact CH2-CD2 3.46Å; W380-L393 VanDerWaalsContact CH2-CD2 3.46Å; W380-L393 HydrophobicContact CH2-CG 4.34Å; W380-L393 HydrophobicContact CZ2-CD1 4.48Å; W380-L393 HydrophobicContact CZ2-CD2 3.56Å; W380-L393 HydrophobicContact CZ3-CD1 3.62Å; W380-L393 HydrophobicContact CZ3-CD2 3.94Å; W380-L393 HydrophobicContact CZ3-CG 4.36Å; W380-F395 AromaticContact CD1-CE1 3.97Å; W380-F395 HydrophobicContact CG-CZ 4.42Å; W380-F395 AromaticContact NE1-CE1 3.81Å; W380-W402 HydrophobicContact CH2-CB 3.76Å; W380-W402 AromaticContact CH2-CD1 3.68Å; W380-W402 HydrophobicContact CH2-CD2 4.24Å; W380-W402 AromaticContact CH2-CG 3.61Å; W380-W402 HydrophobicContact CH2-CG 3.61Å; W380-W402 HydrophobicContact CZ2-CB 3.71Å; W380-W402 AromaticContact CZ2-CD1 3.76Å; W380-W402 AromaticContact CZ2-CG 3.86Å; W380-W402 HydrophobicContact CZ2-CG 3.86Å
381	S	88.2	Confident	88.4	Confident	88 Å²	88	65.2 Å²	65.2	62%	0.615	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-58.9	-19.8	175.7	76.7	0	0	0	0	114.2	K378 E379 I383 R388	K378-S381 VanDerWaalsContact O-CB 3.23Å; K378-S381 WeakPolarHBondContact O-CB 3.45Å; K378-S381 PolarHBondContact O-N 2.89Å; K378-S381 PolarHBondContact O-OG 3.42Å; E379-S381 PolarHBondContact O-N 3.04Å; S381-I383 VanDerWaalsContact C-N 3.32Å; S381-R388 VanDerWaalsContact CA-NH2 3.3Å
382	L	88	Confident	87.7	Confident	52 Å²	52	66.1 Å²	66.1	27%	0.272	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-81.4	-10.7	-179.2	-55.1	175.4	0	0	0	113.4	I345 S346 I347 W373 E379 W380	I345-L382 HydrophobicContact CG2-CB 4.48Å; S346-L382 PolarHBondContact N-O 2.79Å; I347-L382 HydrophobicContact CG1-CD2 4.43Å; W373-L382 HydrophobicContact CH2-CB 4.36Å; E379-L382 VanDerWaalsContact O-CB 3.22Å; E379-L382 WeakPolarHBondContact O-CB 3.24Å; E379-L382 VanDerWaalsContact O-CG 3.31Å; E379-L382 WeakPolarHBondContact O-CG 3.22Å; E379-L382 PolarHBondContact O-N 3.2Å; W380-L382 PolarHBondContact O-N 2.73Å; W380-L382 VanDerWaalsContact O-N 3.08Å
383	I	87.1	Confident	86.9	Confident	4 Å²	4	66.2 Å²	66.2	2%	0.021	34%	0.34	C	S	.	.	S	Bend	trans	-109.1	143.5	-179.1	-61.7	-176.4	0	0	0	109.4	L343 I345 L356 W373 W380 S381 Q387 R388	L343-I383 HydrophobicContact CB-CD1 4.12Å; L343-I383 HydrophobicContact CD1-CD1 3.63Å; I345-I383 HydrophobicContact CG2-CD1 4.4Å; I345-I383 HydrophobicContact CG2-CG1 3.9Å; L356-I383 HydrophobicContact CD1-CD1 4.49Å; W373-I383 HydrophobicContact CE3-CD1 4.28Å; W373-I383 HydrophobicContact CH2-CD1 3.67Å; W373-I383 HydrophobicContact CH2-CG1 3.85Å; W373-I383 HydrophobicContact CZ3-CD1 3.34Å; W373-I383 HydrophobicContact CZ3-CG1 3.81Å; W380-I383 HydrophobicContact CE3-CD1 4.21Å; W380-I383 HydrophobicContact CZ3-CD1 4.11Å; W380-I383 PolarHBondContact O-N 2.83Å; W380-I383 VanDerWaalsContact O-N 3.11Å; S381-I383 VanDerWaalsContact C-N 3.32Å; I383-Q387 HydrophobicContact CG2-CB 3.4Å; I383-Q387 VanDerWaalsContact CG2-CB 3.4Å; I383-Q387 HydrophobicContact CG2-CG 4.37Å; I383-R388 HydrophobicContact CG2-CG 4.19Å; I383-R388 PolarHBondContact O-NE 2.76Å; I383-R388 PolarHBondContact O-NH2 2.71Å
384	S	86.8	Confident	85.8	Confident	40 Å²	40	68.6 Å²	68.6	28%	0.28	36%	0.356	S	S	.	.			trans	-65.3	150.9	-178.7	96.7	0	0	0	0	112	E386 Q387 R388	S384-E386 VanDerWaalsContact CB-OE2 3.22Å; S384-E386 WeakPolarHBondContact CB-OE2 3.44Å; S384-E386 PolarHBondContact O-N 2.85Å; S384-E386 PolarHBondContact OG-N 2.97Å; S384-E386 PolarHBondContact OG-OE2 3.26Å; S384-Q387 PolarHBondContact O-N 3.44Å; S384-Q387 PolarHBondContact OG-N 3.03Å; S384-R388 WeakPolarHBondContact O-CG 3.44Å; S384-R388 PolarHBondContact O-N 3.11Å
385	P	86.1	Confident	85.1	Confident	89 Å²	89	73.1 Å²	73.1	58%	0.578	37%	0.374	S	S	*	.	H	α-helix	trans	-55.4	-35.3	175	-25.6	35.4	0	0	0	113.5	R388 Q389	P385-R388 WeakPolarHBondContact O-CB 3.32Å; P385-R388 PolarHBondContact O-N 2.84Å; P385-Q389 PolarHBondContact O-N 2.78Å
386	E	86.6	Confident	84.7	Confident	113 Å²	113	76.7 Å²	76.7	53%	0.528	39%	0.393	S	S	.	.	H	α-helix	trans	-66.8	-43.8	179	-56.8	73.1	-157.6	0	0	111.4	S384 R388 Q389 Q390	S384-E386 VanDerWaalsContact CB-OE2 3.22Å; S384-E386 WeakPolarHBondContact CB-OE2 3.44Å; S384-E386 PolarHBondContact O-N 2.85Å; S384-E386 PolarHBondContact OG-N 2.97Å; S384-E386 PolarHBondContact OG-OE2 3.26Å; E386-R388 VanDerWaalsContact C-N 3.31Å; E386-R388 PolarHBondContact O-N 3.45Å; E386-Q389 PolarHBondContact O-N 3.5Å; E386-Q390 WeakPolarHBondContact O-CG 3.36Å; E386-Q390 PolarHBondContact O-N 2.87Å
387	Q	85.9	Confident	84.3	Confident	34 Å²	34	72.8 Å²	72.8	16%	0.159	38%	0.381	C	S	.	.	H	α-helix	trans	-64	-38.8	175	-76.9	178.3	-54.2	0	0	111.3	D344 I383 S384 Q389 Q390 L391	D344-Q387 PolarHBondContact O-OE1 2.83Å; D344-Q387 PolarHBondContact OD2-NE2 3.15Å; I383-Q387 HydrophobicContact CG2-CB 3.4Å; I383-Q387 VanDerWaalsContact CG2-CB 3.4Å; I383-Q387 HydrophobicContact CG2-CG 4.37Å; S384-Q387 PolarHBondContact O-N 3.44Å; S384-Q387 PolarHBondContact OG-N 3.03Å; Q387-Q389 VanDerWaalsContact C-N 3.31Å; Q387-Q389 PolarHBondContact O-N 3.31Å; Q387-Q390 PolarHBondContact O-N 2.86Å; Q387-L391 VanDerWaalsContact O-CG 3.24Å; Q387-L391 WeakPolarHBondContact O-CG 3.2Å; Q387-L391 PolarHBondContact O-N 3.49Å
388	R	86.1	Confident	83.9	Confident	79 Å²	79	73 Å²	73	30%	0.298	38%	0.381	S	S	.	.	H	α-helix	trans	-61	-40.6	174.3	-68.7	-172	-148	163.1	16.5	112.4	W380 S381 I383 S384 P385 E386 L391 G392 L393	W380-R388 PolarHBondContact O-NE 2.88Å; W380-R388 PolarHBondContact O-NH2 3.31Å; S381-R388 VanDerWaalsContact CA-NH2 3.3Å; I383-R388 HydrophobicContact CG2-CG 4.19Å; I383-R388 PolarHBondContact O-NE 2.76Å; I383-R388 PolarHBondContact O-NH2 2.71Å; S384-R388 WeakPolarHBondContact O-CG 3.44Å; S384-R388 PolarHBondContact O-N 3.11Å; P385-R388 WeakPolarHBondContact O-CB 3.32Å; P385-R388 PolarHBondContact O-N 2.84Å; E386-R388 VanDerWaalsContact C-N 3.31Å; E386-R388 PolarHBondContact O-N 3.45Å; R388-L391 PolarHBondContact O-N 2.88Å; R388-G392 PolarHBondContact O-N 2.99Å; R388-L393 HydrophobicContact CB-CD1 3.73Å; R388-L393 HydrophobicContact CG-CD1 3.71Å; R388-L393 PolarHBondContact O-N 2.8Å
389	Q	84	Confident	83.7	Confident	163 Å²	163	64.4 Å²	64.4	76%	0.762	34%	0.343	S	S	*	.	H	α-helix	trans	-66.6	-42	175.3	-169	178.4	18.8	0	0	111.8	P385 E386 Q387 L391 G392	P385-Q389 PolarHBondContact O-N 2.78Å; E386-Q389 PolarHBondContact O-N 3.5Å; Q387-Q389 VanDerWaalsContact C-N 3.31Å; Q387-Q389 PolarHBondContact O-N 3.31Å; Q389-L391 VanDerWaalsContact C-N 3.25Å; Q389-L391 PolarHBondContact O-N 3.34Å; Q389-G392 PolarHBondContact O-N 3.35Å
390	Q	83.5	Confident	83.7	Confident	150 Å²	150	61.7 Å²	61.7	70%	0.701	33%	0.331	S	S	*	.	H	α-helix	trans	-65.7	-26.3	176.7	-73.6	177.3	3.1	0	0	113.7	E386 Q387	E386-Q390 WeakPolarHBondContact O-CG 3.36Å; E386-Q390 PolarHBondContact O-N 2.87Å; Q387-Q390 PolarHBondContact O-N 2.86Å
391	L	83	Confident	83.9	Confident	9 Å²	9	61.4 Å²	61.4	5%	0.047	33%	0.329	C	S	.	.	H	α-helix	trans	-72.1	-20.9	172.2	-72.5	167.6	0	0	0	112.5	K341 L343 W380 Q387 R388 Q389 L393 W402	K341-L391 HydrophobicContact CD-CD2 3.61Å; L343-L391 HydrophobicContact CD1-CD1 3.66Å; L343-L391 HydrophobicContact CD1-CD2 4.13Å; L343-L391 HydrophobicContact CD1-CG 4.45Å; L343-L391 HydrophobicContact CD2-CD1 4.29Å; L343-L391 HydrophobicContact CD2-CD2 3.91Å; L343-L391 HydrophobicContact CD2-CG 4.35Å; W380-L391 HydrophobicContact CZ3-CD1 4.06Å; Q387-L391 VanDerWaalsContact O-CG 3.24Å; Q387-L391 WeakPolarHBondContact O-CG 3.2Å; Q387-L391 PolarHBondContact O-N 3.49Å; R388-L391 PolarHBondContact O-N 2.88Å; Q389-L391 VanDerWaalsContact C-N 3.25Å; Q389-L391 PolarHBondContact O-N 3.34Å; L391-L393 VanDerWaalsContact C-N 3.31Å; L391-L393 HydrophobicContact CB-CD1 4.36Å; L391-L393 HydrophobicContact CB-CG 3.93Å; L391-L393 HydrophobicContact CD1-CD1 4.04Å; L391-L393 HydrophobicContact CD1-CG 4.34Å; L391-W402 HydrophobicContact CD2-CH2 3.7Å; L391-W402 HydrophobicContact CD2-CZ2 3.7Å
392	G	78.4	Confident	84.2	Confident	44 Å²	44	57.6 Å²	57.6	45%	0.454	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.7	42.4	-170	0	0	0	0	0	111.1	R388 Q389 T394	R388-G392 PolarHBondContact O-N 2.99Å; Q389-G392 PolarHBondContact O-N 3.35Å; G392-T394 PolarHBondContact O-N 2.82Å; G392-T394 VanDerWaalsContact O-N 3.12Å
393	L	75.8	Confident	84.6	Confident	32 Å²	32	55.1 Å²	55.1	17%	0.168	29%	0.289	C	S	.	.			trans	-60.2	114.7	178.9	-79.3	163.4	0	0	0	110.4	W380 R388 L391 F395	W380-L393 HydrophobicContact CD2-CD1 4.19Å; W380-L393 HydrophobicContact CE3-CD1 3.67Å; W380-L393 HydrophobicContact CE3-CD2 4.46Å; W380-L393 HydrophobicContact CH2-CD1 4.05Å; W380-L393 HydrophobicContact CH2-CD2 3.46Å; W380-L393 VanDerWaalsContact CH2-CD2 3.46Å; W380-L393 HydrophobicContact CH2-CG 4.34Å; W380-L393 HydrophobicContact CZ2-CD1 4.48Å; W380-L393 HydrophobicContact CZ2-CD2 3.56Å; W380-L393 HydrophobicContact CZ3-CD1 3.62Å; W380-L393 HydrophobicContact CZ3-CD2 3.94Å; W380-L393 HydrophobicContact CZ3-CG 4.36Å; R388-L393 HydrophobicContact CB-CD1 3.73Å; R388-L393 HydrophobicContact CG-CD1 3.71Å; R388-L393 PolarHBondContact O-N 2.8Å; L391-L393 VanDerWaalsContact C-N 3.31Å; L391-L393 HydrophobicContact CB-CD1 4.36Å; L391-L393 HydrophobicContact CB-CG 3.93Å; L391-L393 HydrophobicContact CD1-CD1 4.04Å; L391-L393 HydrophobicContact CD1-CG 4.34Å; L393-F395 HydrophobicContact CB-CZ 4.41Å
394	T	71.6	Confident	85	Confident	61 Å²	61	55.5 Å²	55.5	37%	0.374	29%	0.292	S	S	.	.			trans	-99.4	146	162.1	44.4	0	0	0	0	107.9	G392	G392-T394 PolarHBondContact O-N 2.82Å; G392-T394 VanDerWaalsContact O-N 3.12Å
395	F	77.7	Confident	85.4	Confident	106 Å²	106	54.8 Å²	54.8	47%	0.465	28%	0.283	S	S	.	.			trans	-123.8	69.3	177.6	-64.9	-59.1	0	0	0	107.5	D375 W380 L393	D375-F395 HydrophobicContact CB-CD1 3.86Å; D375-F395 WeakPolarHBondContact O-CD1 3.35Å; D375-F395 VanDerWaalsContact O-CE1 3.24Å; D375-F395 WeakPolarHBondContact O-CE1 3.39Å; D375-F395 WeakPolarHBondContact OD2-CA 3.43Å; W380-F395 AromaticContact CD1-CE1 3.97Å; W380-F395 HydrophobicContact CG-CZ 4.42Å; W380-F395 AromaticContact NE1-CE1 3.81Å; L393-F395 HydrophobicContact CB-CZ 4.41Å
396	D	77.9	Confident	85.8	Confident	95 Å²	95	56.5 Å²	56.5	51%	0.508	28%	0.283	S	S	.	.	S	Bend	trans	-128.1	150.7	-172.2	-67.4	-49.6	0	0	0	108.4	D398	D396-D398 HydrophobicContact CB-CB 4.47Å; D396-D398 PolarHBondContact O-N 3Å
397	D	80.7	Confident	86.2	Confident	98 Å²	98	53.1 Å²	53.1	52%	0.524	27%	0.269	S	S	.	.	S	Bend	trans	-78.6	66.5	177.9	-62.3	-45	0	0	0	109.8	E366 E368	E366-D397 HydrophobicContact CB-CB 3.94Å; E368-D397 WeakPolarHBondContact OE1-CA 3.38Å
398	D	82	Confident	86.7	Confident	23 Å²	23	51.5 Å²	51.5	12%	0.123	26%	0.262	C	S	.	.	S	Bend	trans	-111.2	3	-171.8	72.9	16.5	0	0	0	113.6	F166 G364 E368 D396 E400	F166-D398 HydrophobicContact CD1-CB 4.02Å; F166-D398 HydrophobicContact CE1-CB 3.63Å; F166-D398 WeakPolarHBondContact CE1-OD2 3.45Å; F166-D398 HydrophobicContact CZ-CB 4.42Å; F166-D398 WeakPolarHBondContact CZ-OD2 3.29Å; G364-D398 WeakPolarHBondContact CA-O 3.41Å; E368-D398 PolarHBondContact OE1-N 3.14Å; E368-D398 VanDerWaalsContact OE1-N 3.11Å; D396-D398 HydrophobicContact CB-CB 4.47Å; D396-D398 PolarHBondContact O-N 3Å; D398-E400 VanDerWaalsContact C-N 3.26Å; D398-E400 PolarHBondContact O-N 2.87Å; D398-E400 WeakPolarHBondContact OD1-CA 3.13Å; D398-E400 WeakPolarHBondContact OD1-CB 3.43Å; D398-E400 PolarHBondContact OD1-N 2.76Å
399	G	86.7	Confident	87.1	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.254	C	S	.	.	S	Bend	trans	81.8	-4.5	-179.8	0	0	0	0	0	114	R360 N361 D365 E368	R360-G399 CarbonylContact C-O 3.59Å; R360-G399 WeakPolarHBondContact CA-O 3.37Å; N361-G399 WeakPolarHBondContact CB-O 3.49Å; N361-G399 PolarHBondContact N-O 2.83Å; D365-G399 VanDerWaalsContact O-CA 3.31Å; D365-G399 WeakPolarHBondContact O-CA 3.3Å; D365-G399 PolarHBondContact O-N 2.97Å; E368-G399 WeakPolarHBondContact OE1-CA 3.38Å; E368-G399 PolarHBondContact OE1-N 3.42Å
400	E	91.4	Very high	87.6	Confident	8 Å²	8	44.3 Å²	44.3	4%	0.037	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	133.4	177.2	-171.6	169.9	-103.3	0	0	111.5	R165 T338 R358 V359 R360 D398	R165-E400 IonicContact CZ-OE1 3.86Å; R165-E400 IonicContact CZ-OE2 3.67Å; R165-E400 IonicContact NE-OE1 3.65Å; R165-E400 PolarHBondContact NE-OE1 2.53Å; R165-E400 IonicContact NE-OE2 2.68Å; R165-E400 IonicContact NH2-OE1 3.46Å; R165-E400 PolarHBondContact NH2-OE1 3.08Å; R165-E400 IonicContact NH2-OE2 3.5Å; R165-E400 PolarHBondContact NH2-OE2 3.07Å; T338-E400 VanDerWaalsContact CB-OE1 3.32Å; T338-E400 WeakPolarHBondContact CB-OE1 3.46Å; T338-E400 WeakPolarHBondContact CG2-OE1 3.26Å; T338-E400 PolarHBondContact OG1-OE1 3.41Å; R358-E400 WeakPolarHBondContact CD-OE2 3.45Å; R358-E400 HydrophobicContact CG-CG 3.62Å; R358-E400 IonicContact CZ-OE2 3.51Å; R358-E400 IonicContact NE-OE1 2.61Å; R358-E400 PolarHBondContact NE-OE1 3.3Å; R358-E400 IonicContact NE-OE2 2.72Å; R358-E400 PolarHBondContact NE-OE2 2.88Å; R358-E400 IonicContact NH1-OE2 2.75Å; V359-E400 CarbonylContact O-C 3.52Å; V359-E400 WeakPolarHBondContact O-CA 3.13Å; R360-E400 HydrophobicContact CB-CB 4.26Å; R360-E400 HydrophobicContact CB-CG 4.35Å; R360-E400 HydrophobicContact CG-CB 4.26Å; D398-E400 VanDerWaalsContact C-N 3.26Å; D398-E400 PolarHBondContact O-N 2.87Å; D398-E400 WeakPolarHBondContact OD1-CA 3.13Å; D398-E400 WeakPolarHBondContact OD1-CB 3.43Å; D398-E400 PolarHBondContact OD1-N 2.76Å
401	F	93.7	Very high	88.1	Confident	1 Å²	1	39 Å²	39	0%	0.004	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	160.2	-179.5	52.4	-94	0	0	0	111.3	L329 Y335 R358 V359 E368 W369 M403	L329-F401 HydrophobicContact CD2-CE2 4.01Å; L329-F401 HydrophobicContact CD2-CZ 3.61Å; Y335-F401 HydrophobicContact CD1-CZ 4.38Å; Y335-F401 HydrophobicContact CE1-CE1 4.27Å; Y335-F401 HydrophobicContact CE1-CZ 4.16Å; R358-F401 WeakPolarHBondContact CA-O 3.41Å; V359-F401 HydrophobicContact CB-CD2 4.36Å; V359-F401 HydrophobicContact CB-CE2 3.8Å; V359-F401 HydrophobicContact CB-CZ 4.04Å; V359-F401 HydrophobicContact CG1-CE2 4.31Å; V359-F401 HydrophobicContact CG1-CZ 4.11Å; V359-F401 HydrophobicContact CG2-CE2 4.49Å; V359-F401 PolarHBondContact N-O 3.46Å; V359-F401 PolarHBondContact O-N 3.37Å; E368-F401 HydrophobicContact CB-CB 4.31Å; E368-F401 HydrophobicContact CB-CD1 3.71Å; E368-F401 HydrophobicContact CB-CE1 4.43Å; E368-F401 HydrophobicContact CB-CG 4.31Å; E368-F401 HydrophobicContact CG-CD1 3.9Å; W369-F401 HydrophobicContact CB-CB 4.28Å; W369-F401 HydrophobicContact CB-CD1 4.3Å; W369-F401 HydrophobicContact CB-CD2 3.23Å; W369-F401 HydrophobicContact CB-CE1 4.5Å; W369-F401 HydrophobicContact CB-CE2 3.49Å; W369-F401 VanDerWaalsContact CB-CE2 3.49Å; W369-F401 HydrophobicContact CB-CG 3.68Å; W369-F401 HydrophobicContact CB-CZ 4.12Å; W369-F401 HydrophobicContact CG-CD2 4.17Å; W369-F401 HydrophobicContact CG-CE2 4.42Å; F401-M403 HydrophobicContact CE2-SD 4.37Å
402	W	94.9	Very high	88.7	Confident	8 Å²	8	38.6 Å²	38.6	3%	0.03	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	152.1	169.5	-66.1	84.4	0	0	0	111.7	K341 L356 V357 R358 W373 W380 L391	K341-W402 HydrophobicContact CD-CH2 4.35Å; L356-W402 HydrophobicContact CB-CE3 3.62Å; L356-W402 HydrophobicContact CB-CZ3 4Å; L356-W402 HydrophobicContact CD1-CE3 4.39Å; V357-W402 WeakPolarHBondContact O-CA 3.28Å; R358-W402 HydrophobicContact CB-CD2 3.7Å; R358-W402 HydrophobicContact CB-CE3 3.69Å; R358-W402 HydrophobicContact CB-CG 4.38Å; R358-W402 HydrophobicContact CB-CH2 3.83Å; R358-W402 HydrophobicContact CB-CZ2 3.82Å; R358-W402 HydrophobicContact CB-CZ3 3.77Å; R358-W402 VanDerWaalsContact CD-CE2 3.49Å; R358-W402 HydrophobicContact CG-CD2 4Å; R358-W402 HydrophobicContact CG-CE3 4.49Å; R358-W402 HydrophobicContact CG-CG 4.3Å; R358-W402 HydrophobicContact CG-CZ2 4.12Å; W373-W402 CarbonylContact C-O 3.52Å; W373-W402 VanDerWaalsContact C-O 3.26Å; W373-W402 HydrophobicContact CB-CB 4.4Å; W380-W402 HydrophobicContact CH2-CB 3.76Å; W380-W402 AromaticContact CH2-CD1 3.68Å; W380-W402 HydrophobicContact CH2-CD2 4.24Å; W380-W402 AromaticContact CH2-CG 3.61Å; W380-W402 HydrophobicContact CH2-CG 3.61Å; W380-W402 HydrophobicContact CZ2-CB 3.71Å; W380-W402 AromaticContact CZ2-CD1 3.76Å; W380-W402 AromaticContact CZ2-CG 3.86Å; W380-W402 HydrophobicContact CZ2-CG 3.86Å; L391-W402 HydrophobicContact CD2-CH2 3.7Å; L391-W402 HydrophobicContact CD2-CZ2 3.7Å
403	M	95.7	Very high	89.4	Confident	0 Å²	0	39 Å²	39	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	161.8	170	67.1	-171.5	-49.6	0	0	110.6	L356 V357 V359 W369 F401 D407 F408 Y412	L356-M403 WeakPolarHBondContact CA-O 3.43Å; V357-M403 PolarHBondContact N-O 3.34Å; V357-M403 PolarHBondContact O-N 3.3Å; V359-M403 HydrophobicContact CG2-SD 4.28Å; W369-M403 HydrophobicContact CD2-CE 4.38Å; W369-M403 HydrophobicContact CE3-CE 4.41Å; W369-M403 HydrophobicContact CG-CB 4.46Å; W369-M403 HydrophobicContact CH2-CE 4.48Å; W369-M403 HydrophobicContact CZ2-CE 4.43Å; W369-M403 HydrophobicContact CZ3-CE 4.44Å; F401-M403 HydrophobicContact CE2-SD 4.37Å; M403-D407 VanDerWaalsContact CE-C 3.42Å; M403-D407 HydrophobicContact CE-CB 3.6Å; M403-F408 HydrophobicContact CE-CB 4.33Å; M403-F408 HydrophobicContact CG-CB 4.23Å; M403-F408 HydrophobicContact SD-CB 4.01Å; M403-F408 HydrophobicContact SD-CD2 4.19Å; M403-Y412 HydrophobicContact CE-CE2 4.2Å; M403-Y412 HydrophobicContact SD-CD2 4.27Å; M403-Y412 HydrophobicContact SD-CE2 3.61Å
404	S	95.7	Very high	90.3	Very high	13 Å²	13	40 Å²	40	9%	0.091	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	147.8	172.3	79.6	0	0	0	0	110.5	Q406 D407 F408	S404-Q406 PolarHBondContact O-N 3.18Å; S404-D407 PolarHBondContact O-N 2.88Å; S404-D407 VanDerWaalsContact O-N 3.1Å; S404-D407 WeakPolarHBondContact OG-CB 3.17Å; S404-D407 PolarHBondContact OG-N 3.23Å; S404-D407 PolarHBondContact OG-OD2 3.25Å; S404-F408 PolarHBondContact O-N 2.79Å
405	Y	95.6	Very high	91.4	Very high	25 Å²	25	37.1 Å²	37.1	10%	0.098	19%	0.189	C	C	.	.	H	α-helix	trans	-57.6	-32.2	173.4	173.9	-103.2	0	0	0	112.6	L296 L297 M300 P355 V357 F408 I409	L296-Y405 WeakPolarHBondContact CB-OH 3.46Å; L297-Y405 HydrophobicContact CB-CD1 4.48Å; L297-Y405 HydrophobicContact CB-CD2 4.49Å; L297-Y405 HydrophobicContact CB-CE1 3.92Å; L297-Y405 HydrophobicContact CB-CE2 3.94Å; L297-Y405 HydrophobicContact CD1-CD1 4.47Å; L297-Y405 HydrophobicContact CD1-CD2 3.82Å; L297-Y405 HydrophobicContact CD1-CE2 4.05Å; L297-Y405 HydrophobicContact CD1-CG 4.03Å; L297-Y405 PolarHBondContact N-OH 2.53Å; M300-Y405 HydrophobicContact SD-CD2 4.31Å; M300-Y405 HydrophobicContact SD-CE2 3.83Å; P355-Y405 HydrophobicContact CB-CG 4.39Å; P355-Y405 HydrophobicContact CG-CD1 4.42Å; P355-Y405 HydrophobicContact CG-CG 4.35Å; P355-Y405 PolarHBondContact O-N 3.29Å; V357-Y405 HydrophobicContact CG2-CD2 4.24Å; Y405-F408 HydrophobicContact CD2-CD1 4.42Å; Y405-F408 WeakPolarHBondContact O-CB 3.27Å; Y405-F408 PolarHBondContact O-N 3.37Å; Y405-I409 HydrophobicContact CD1-CD1 3.98Å; Y405-I409 HydrophobicContact CE1-CD1 3.27Å; Y405-I409 HydrophobicContact CE1-CG1 4.27Å; Y405-I409 HydrophobicContact CE2-CD1 3.96Å; Y405-I409 HydrophobicContact CE2-CG1 4.24Å; Y405-I409 PolarHBondContact O-N 3.33Å; Y405-I409 WeakPolarHBondContact OH-CD1 3.25Å
406	Q	94.5	Very high	92.1	Very high	124 Å²	124	32.3 Å²	32.3	58%	0.579	17%	0.167	S	C	*	.	H	α-helix	trans	-66.5	-43.7	176.2	-171.8	59.9	46.1	0	0	111.3	S404 F408 S410	S404-Q406 PolarHBondContact O-N 3.18Å; Q406-F408 VanDerWaalsContact C-N 3.29Å; Q406-S410 VanDerWaalsContact O-CB 3.25Å; Q406-S410 WeakPolarHBondContact O-CB 3.27Å; Q406-S410 PolarHBondContact O-N 3.13Å; Q406-S410 PolarHBondContact O-OG 3.1Å
407	D	95.6	Very high	92.8	Very high	43 Å²	43	27.8 Å²	27.8	23%	0.23	14%	0.143	C	C	.	.	H	α-helix	trans	-64.9	-37.5	173.1	-68.3	-49.2	0	0	0	110.7	W369 M403 S404 S410 N411	W369-D407 HydrophobicContact CH2-CB 4.34Å; W369-D407 HydrophobicContact CZ2-CB 4.01Å; M403-D407 VanDerWaalsContact CE-C 3.42Å; M403-D407 HydrophobicContact CE-CB 3.6Å; S404-D407 PolarHBondContact O-N 2.88Å; S404-D407 VanDerWaalsContact O-N 3.1Å; S404-D407 WeakPolarHBondContact OG-CB 3.17Å; S404-D407 PolarHBondContact OG-N 3.23Å; S404-D407 PolarHBondContact OG-OD2 3.25Å; D407-S410 CarbonylContact O-C 3.6Å; D407-S410 PolarHBondContact O-N 3.32Å; D407-N411 WeakPolarHBondContact O-CB 3.43Å; D407-N411 PolarHBondContact O-N 2.96Å; D407-N411 PolarHBondContact O-ND2 3.48Å
408	F	96.1	Very high	93.2	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-57.8	-55.1	178.3	172.2	-98.1	0	0	0	111	L288 M300 C312 I337 V357 V359 M403 S404 Y405 Q406 S410 N411 Y412 L415	L288-F408 HydrophobicContact CD1-CD1 4.43Å; L288-F408 HydrophobicContact CD1-CE1 3.76Å; L288-F408 HydrophobicContact CD1-CZ 4.02Å; M300-F408 HydrophobicContact CE-CE1 3.96Å; M300-F408 HydrophobicContact CE-CZ 4.15Å; M300-F408 HydrophobicContact SD-CE1 4.01Å; C312-F408 HydrophobicContact CB-CE2 3.83Å; C312-F408 HydrophobicContact CB-CZ 3.99Å; I337-F408 HydrophobicContact CD1-CE2 3.84Å; I337-F408 HydrophobicContact CD1-CZ 3.73Å; I337-F408 HydrophobicContact CG1-CE2 4.42Å; V357-F408 HydrophobicContact CG1-CD2 4.18Å; V357-F408 HydrophobicContact CG1-CE2 4.44Å; V357-F408 HydrophobicContact CG2-CB 4.29Å; V357-F408 HydrophobicContact CG2-CG 4.28Å; V359-F408 HydrophobicContact CG2-CD2 4.44Å; M403-F408 HydrophobicContact CE-CB 4.33Å; M403-F408 HydrophobicContact CG-CB 4.23Å; M403-F408 HydrophobicContact SD-CB 4.01Å; M403-F408 HydrophobicContact SD-CD2 4.19Å; S404-F408 PolarHBondContact O-N 2.79Å; Y405-F408 HydrophobicContact CD2-CD1 4.42Å; Y405-F408 WeakPolarHBondContact O-CB 3.27Å; Y405-F408 PolarHBondContact O-N 3.37Å; Q406-F408 VanDerWaalsContact C-N 3.29Å; F408-S410 VanDerWaalsContact C-N 3.25Å; F408-S410 PolarHBondContact O-N 3.39Å; F408-N411 PolarHBondContact O-N 3.47Å; F408-Y412 AromaticContact CD2-CD2 3.39Å; F408-Y412 HydrophobicContact CD2-CD2 3.39Å; F408-Y412 AromaticContact CD2-CE2 3.85Å; F408-Y412 HydrophobicContact CD2-CE2 3.85Å; F408-Y412 HydrophobicContact CD2-CG 4.18Å; F408-Y412 AromaticContact CE2-CD2 3.68Å; F408-Y412 HydrophobicContact CE2-CD2 3.68Å; F408-Y412 HydrophobicContact CE2-CE2 4.22Å; F408-Y412 HydrophobicContact CE2-CG 4.04Å; F408-Y412 HydrophobicContact CG-CD2 4.2Å; F408-Y412 WeakPolarHBondContact O-CB 3.38Å; F408-Y412 WeakPolarHBondContact O-CD2 3.12Å; F408-Y412 PolarHBondContact O-N 2.96Å; F408-L415 HydrophobicContact CZ-CD1 4.13Å
409	I	94.9	Very high	93.3	Very high	28 Å²	28	22.4 Å²	22.4	14%	0.144	11%	0.114	C	C	.	.	H	α-helix	trans	-60.3	-38.7	175.4	-66.5	173.2	0	0	0	111.2	K289 T292 Y405 N411	K289-I409 PolarHBondContact NZ-O 3.1Å; T292-I409 HydrophobicContact CG2-CD1 4.09Å; T292-I409 HydrophobicContact CG2-CG2 4.35Å; Y405-I409 HydrophobicContact CD1-CD1 3.98Å; Y405-I409 HydrophobicContact CE1-CD1 3.27Å; Y405-I409 HydrophobicContact CE1-CG1 4.27Å; Y405-I409 HydrophobicContact CE2-CD1 3.96Å; Y405-I409 HydrophobicContact CE2-CG1 4.24Å; Y405-I409 PolarHBondContact O-N 3.33Å; Y405-I409 WeakPolarHBondContact OH-CD1 3.25Å; I409-N411 VanDerWaalsContact C-N 3.32Å; I409-N411 PolarHBondContact O-N 2.93Å
410	S	93.8	Very high	92.7	Very high	63 Å²	63	24.5 Å²	24.5	44%	0.441	13%	0.125	S	C	.	.	H	α-helix	trans	-72.2	-24.4	-175.4	-57.1	0	0	0	0	113.2	K289 Q406 D407 F408	K289-S410 PolarHBondContact NZ-O 3.42Å; Q406-S410 VanDerWaalsContact O-CB 3.25Å; Q406-S410 WeakPolarHBondContact O-CB 3.27Å; Q406-S410 PolarHBondContact O-N 3.13Å; Q406-S410 PolarHBondContact O-OG 3.1Å; D407-S410 CarbonylContact O-C 3.6Å; D407-S410 PolarHBondContact O-N 3.32Å; F408-S410 VanDerWaalsContact C-N 3.25Å; F408-S410 PolarHBondContact O-N 3.39Å
411	N	94.8	Very high	91.5	Very high	39 Å²	39	24.5 Å²	24.5	21%	0.209	13%	0.127	C	C	.	.	H	α-helix	trans	-107	-39	-177.2	-69.2	-86.2	0	0	0	113.5	N327 L329 D407 F408 I409	N327-N411 PolarHBondContact ND2-OD1 3.39Å; L329-N411 HydrophobicContact CD1-CB 3.7Å; D407-N411 WeakPolarHBondContact O-CB 3.43Å; D407-N411 PolarHBondContact O-N 2.96Å; D407-N411 PolarHBondContact O-ND2 3.48Å; F408-N411 PolarHBondContact O-N 3.47Å; I409-N411 VanDerWaalsContact C-N 3.32Å; I409-N411 PolarHBondContact O-N 2.93Å
412	Y	95.2	Very high	89.6	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.129	C	C	.	.			trans	-83.6	155.9	178.2	-69.6	-82.9	0	0	0	112.2	K289 C312 I314 L329 Y335 M403 F408	K289-Y412 WeakPolarHBondContact CE-O 3.39Å; K289-Y412 PolarHBondContact NZ-O 2.81Å; C312-Y412 HydrophobicContact CB-CD1 3.9Å; C312-Y412 HydrophobicContact CB-CE1 4.37Å; C312-Y412 HydrophobicContact CB-CG 4.21Å; C312-Y412 VanDerWaalsContact SG-CE1 3.52Å; I314-Y412 HydrophobicContact CD1-CD1 4.28Å; I314-Y412 HydrophobicContact CD1-CE1 4.17Å; I314-Y412 HydrophobicContact CG1-CD1 3.64Å; I314-Y412 HydrophobicContact CG1-CE1 3.94Å; I314-Y412 HydrophobicContact CG1-CG 4.39Å; L329-Y412 HydrophobicContact CD1-CE2 4.38Å; Y335-Y412 AromaticContact CD2-CE1 3.78Å; Y335-Y412 HydrophobicContact CD2-CE1 3.78Å; Y335-Y412 HydrophobicContact CE2-CE1 4.22Å; Y335-Y412 HydrophobicContact CG-CE1 4.11Å; M403-Y412 HydrophobicContact CE-CE2 4.2Å; M403-Y412 HydrophobicContact SD-CD2 4.27Å; M403-Y412 HydrophobicContact SD-CE2 3.61Å; F408-Y412 AromaticContact CD2-CD2 3.39Å; F408-Y412 HydrophobicContact CD2-CD2 3.39Å; F408-Y412 AromaticContact CD2-CE2 3.85Å; F408-Y412 HydrophobicContact CD2-CE2 3.85Å; F408-Y412 HydrophobicContact CD2-CG 4.18Å; F408-Y412 AromaticContact CE2-CD2 3.68Å; F408-Y412 HydrophobicContact CE2-CD2 3.68Å; F408-Y412 HydrophobicContact CE2-CE2 4.22Å; F408-Y412 HydrophobicContact CE2-CG 4.04Å; F408-Y412 HydrophobicContact CG-CD2 4.2Å; F408-Y412 WeakPolarHBondContact O-CB 3.38Å; F408-Y412 WeakPolarHBondContact O-CD2 3.12Å; F408-Y412 PolarHBondContact O-N 2.96Å
413	E	93.8	Very high	87.4	Confident	51 Å²	51	28.2 Å²	28.2	24%	0.238	15%	0.145	C	C	.	.			trans	-114.1	-33.5	-178.2	-63.1	-170.4	173.6	0	0	113	L288 K289 S313 Q315	L288-E413 PolarHBondContact N-O 2.98Å; K289-E413 HydrophobicContact CG-CB 4.23Å; K289-E413 HydrophobicContact CG-CG 3.88Å; S313-E413 PolarHBondContact O-N 3.47Å; S313-E413 VanDerWaalsContact O-N 3.07Å; Q315-E413 WeakPolarHBondContact CB-OE2 3.31Å; Q315-E413 WeakPolarHBondContact CG-OE2 3.37Å; Q315-E413 PolarHBondContact N-OE2 2.88Å; Q315-E413 PolarHBondContact NE2-OE2 2.9Å
414	K	93.4	Very high	85.5	Confident	55 Å²	55	28.6 Å²	28.6	24%	0.239	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	138.7	178.1	-65	-176.4	178.5	-177.5	0	110.6	F286 C312 S313	F286-K414 WeakPolarHBondContact O-CA 3.35Å; C312-K414 CarbonylContact C-O 3.55Å; C312-K414 WeakPolarHBondContact CA-O 3.5Å; C312-K414 WeakPolarHBondContact CB-O 3.4Å; S313-K414 PolarHBondContact N-O 2.88Å; S313-K414 PolarHBondContact O-N 3.47Å; S313-K414 VanDerWaalsContact O-N 3.11Å
415	L	94.8	Very high	83.3	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	133.6	168	166.4	72.6	0	0	0	108.4	M285 F286 L288 L296 M300 A311 I337 F408 I417	M285-L415 WeakPolarHBondContact CA-O 3.34Å; F286-L415 HydrophobicContact CB-CB 4.25Å; F286-L415 HydrophobicContact CD2-CD2 4.14Å; F286-L415 HydrophobicContact CD2-CG 4.27Å; F286-L415 PolarHBondContact N-O 3.35Å; F286-L415 PolarHBondContact O-N 3.18Å; L288-L415 HydrophobicContact CD1-CB 4.15Å; L288-L415 HydrophobicContact CD2-CB 4.06Å; L288-L415 HydrophobicContact CG-CB 4.22Å; L296-L415 HydrophobicContact CD1-CD2 3.68Å; L296-L415 HydrophobicContact CD2-CD2 4.21Å; L296-L415 HydrophobicContact CG-CD2 4.33Å; M300-L415 HydrophobicContact CE-CD1 4.39Å; M300-L415 HydrophobicContact CG-CD2 3.98Å; M300-L415 HydrophobicContact SD-CD2 3.93Å; A311-L415 WeakPolarHBondContact O-CD1 3.29Å; I337-L415 HydrophobicContact CD1-CD1 3.35Å; F408-L415 HydrophobicContact CZ-CD1 4.13Å; L415-I417 HydrophobicContact CD1-CG1 4.24Å; L415-I417 HydrophobicContact CD2-CD1 4.1Å; L415-I417 HydrophobicContact CD2-CG1 4.26Å; L415-I417 HydrophobicContact CG-CD1 4.43Å; L415-I417 HydrophobicContact CG-CG1 4.04Å
416	E	93.7	Very high	81	Confident	4 Å²	4	28.2 Å²	28.2	2%	0.019	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	123.3	-179.6	-58.9	175.8	-140.9	0	0	107.7	T271 S272 E284 M285 M310 A311	T271-E416 PolarHBondContact N-OE2 3.47Å; S272-E416 VanDerWaalsContact CB-OE2 3.25Å; S272-E416 WeakPolarHBondContact CB-OE2 3.47Å; S272-E416 PolarHBondContact N-OE2 3.21Å; E284-E416 WeakPolarHBondContact O-CA 3.49Å; M285-E416 HydrophobicContact CE-CG 4.39Å; M285-E416 HydrophobicContact CG-CG 4.17Å; M310-E416 WeakPolarHBondContact CA-O 3.44Å; A311-E416 HydrophobicContact CB-CB 4.5Å; A311-E416 PolarHBondContact N-O 2.82Å; A311-E416 PolarHBondContact O-N 3.39Å
417	I	91.4	Very high	78.7	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	114.4	178.6	-52.9	-173.9	0	0	0	108.1	S283 E284 F286 V299 S303 M310 L415 H419	S283-I417 CarbonylContact C-O 3.57Å; S283-I417 VanDerWaalsContact CA-O 3.3Å; S283-I417 WeakPolarHBondContact CA-O 3.27Å; E284-I417 PolarHBondContact N-O 3.49Å; E284-I417 PolarHBondContact O-N 3.37Å; F286-I417 HydrophobicContact CD2-CD1 4.27Å; F286-I417 HydrophobicContact CD2-CG1 4.3Å; F286-I417 HydrophobicContact CE2-CB 4.42Å; F286-I417 HydrophobicContact CE2-CD1 3.71Å; F286-I417 HydrophobicContact CE2-CG1 3.96Å; V299-I417 HydrophobicContact CG1-CD1 3.96Å; S303-I417 WeakPolarHBondContact OG-CG2 3.36Å; M310-I417 HydrophobicContact CG-CB 4.44Å; M310-I417 HydrophobicContact CG-CG1 4.1Å; M310-I417 HydrophobicContact CG-CG2 4.06Å; L415-I417 HydrophobicContact CD1-CG1 4.24Å; L415-I417 HydrophobicContact CD2-CD1 4.1Å; L415-I417 HydrophobicContact CD2-CG1 4.26Å; L415-I417 HydrophobicContact CG-CD1 4.43Å; L415-I417 HydrophobicContact CG-CG1 4.04Å; I417-H419 WeakPolarHBondContact CG2-NE2 3.22Å
418	C	90.2	Very high	76	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	112.2	174.7	-167.9	0	0	0	0	110.2	L275 I282 S308 L309	L275-C418 HydrophobicContact CB-CB 3.55Å; L275-C418 HydrophobicContact CD1-CB 3.73Å; L275-C418 HydrophobicContact CG-CB 4.22Å; I282-C418 WeakPolarHBondContact O-CA 3.15Å; S308-C418 CarbonylContact C-O 3.43Å; S308-C418 WeakPolarHBondContact CA-O 3.28Å; S308-C418 WeakPolarHBondContact CB-O 3.39Å; L309-C418 HydrophobicContact CB-CB 4.42Å; L309-C418 PolarHBondContact N-O 2.79Å; L309-C418 PolarHBondContact O-N 2.85Å
419	H	84	Confident	73.5	Confident	8 Å²	8	38.3 Å²	38.3	4%	0.037	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	129.4	178.7	-62.5	-81.6	0	0	0	109.6	G281 I282 E284 S308 I417 G421 S424 M425	G281-H419 CarbonylContact C-O 3.6Å; G281-H419 WeakPolarHBondContact CA-O 3.34Å; I282-H419 HydrophobicContact CG2-CB 4.25Å; I282-H419 PolarHBondContact N-O 2.82Å; I282-H419 PolarHBondContact O-N 2.81Å; E284-H419 IonicContact OE1-CD2 3.23Å; E284-H419 IonicContact OE1-NE2 2.86Å; E284-H419 PolarHBondContact OE1-NE2 3.07Å; S308-H419 PolarHBondContact OG-ND1 2.9Å; I417-H419 WeakPolarHBondContact CG2-NE2 3.22Å; H419-G421 PolarHBondContact O-N 2.84Å; H419-S424 VanDerWaalsContact C-OG 3.25Å; H419-S424 WeakPolarHBondContact CA-OG 3.29Å; H419-S424 WeakPolarHBondContact CB-OG 3.04Å; H419-M425 HydrophobicContact CB-CG 3.77Å; H419-M425 HydrophobicContact CB-SD 3.34Å; H419-M425 WeakPolarHBondContact CB-SD 3.36Å; H419-M425 PolarHBondContact CD2-SD 2.85Å
420	L	74.3	Confident	71	Confident	44 Å²	44	41 Å²	41	23%	0.23	24%	0.235	C	C	.	.			trans	-70	35.1	-176.5	-55.1	178.2	0	0	0	114.8	L191 T279 S307 S424	L191-L420 HydrophobicContact CD1-CD1 3.7Å; L191-L420 HydrophobicContact CD1-CD2 3.43Å; L191-L420 VanDerWaalsContact CD1-CD2 3.43Å; L191-L420 HydrophobicContact CD1-CG 4.19Å; L191-L420 HydrophobicContact CD2-CD1 4.22Å; L191-L420 HydrophobicContact CD2-CD2 3.95Å; L191-L420 HydrophobicContact CG-CD1 4.31Å; L191-L420 HydrophobicContact CG-CD2 4.33Å; T279-L420 HydrophobicContact CG2-CD2 3.46Å; T279-L420 VanDerWaalsContact CG2-CD2 3.46Å; S307-L420 VanDerWaalsContact O-CD1 3.28Å; S307-L420 WeakPolarHBondContact O-CD1 3.4Å; L420-S424 PolarHBondContact N-OG 2.82Å
421	G	65.5	Low	68.8	Low	8 Å²	8	44.3 Å²	44.3	8%	0.082	25%	0.248	C	C	.	.	S	Bend	trans	94.4	-169.9	-179.1	0	0	0	0	0	113.5	H419 Q423 S424	H419-G421 PolarHBondContact O-N 2.84Å; G421-Q423 VanDerWaalsContact C-N 3.27Å; G421-Q423 PolarHBondContact O-N 3.03Å; G421-Q423 VanDerWaalsContact O-N 3.11Å; G421-S424 PolarHBondContact N-OG 3.05Å; G421-S424 PolarHBondContact O-N 2.91Å; G421-S424 PolarHBondContact O-OG 2.87Å
422	P	53.7	Low	66.8	Low	5 Å²	5	44.4 Å²	44.4	3%	0.032	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-57.4	-36.1	-162.2	-19.2	27.6	0	0	0	113.6	S424 M425 W434 M436 F574	P422-S424 VanDerWaalsContact C-N 3.32Å; P422-S424 PolarHBondContact O-N 3.11Å; P422-M425 PolarHBondContact O-N 3.31Å; P422-W434 HydrophobicContact CB-CB 3.19Å; P422-W434 HydrophobicContact CB-CG 4.35Å; P422-W434 WeakPolarHBondContact CB-O 3.45Å; P422-W434 WeakPolarHBondContact O-CB 3.22Å; P422-W434 VanDerWaalsContact O-CG 3.31Å; P422-M436 HydrophobicContact CG-CB 4.15Å; P422-F574 HydrophobicContact CG-CD1 4.46Å; P422-F574 HydrophobicContact CG-CE1 4.44Å
423	Q	49	Very low	65.1	Low	82 Å²	82	48 Å²	48	38%	0.383	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-71.3	-23.9	-178.2	-63.5	-175.7	68.9	0	0	114.3	P83 N87 G421 M425	P83-Q423 VanDerWaalsContact O-CD 3.24Å; P83-Q423 WeakPolarHBondContact O-CG 3.44Å; P83-Q423 PolarHBondContact O-NE2 2.85Å; N87-Q423 VanDerWaalsContact ND2-CD 3.32Å; N87-Q423 PolarHBondContact ND2-NE2 2.95Å; N87-Q423 PolarHBondContact ND2-OE1 2.85Å; N87-Q423 PolarHBondContact OD1-NE2 3.03Å; G421-Q423 VanDerWaalsContact C-N 3.27Å; G421-Q423 PolarHBondContact O-N 3.03Å; G421-Q423 VanDerWaalsContact O-N 3.11Å; Q423-M425 VanDerWaalsContact C-N 3.29Å
424	S	54.4	Low	63.8	Low	9 Å²	9	45.9 Å²	45.9	6%	0.063	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-86.9	-1.4	178.9	65.5	0	0	0	0	113.5	L306 H419 L420 G421 P422	L306-S424 WeakPolarHBondContact CD1-O 3.41Å; H419-S424 VanDerWaalsContact C-OG 3.25Å; H419-S424 WeakPolarHBondContact CA-OG 3.29Å; H419-S424 WeakPolarHBondContact CB-OG 3.04Å; L420-S424 PolarHBondContact N-OG 2.82Å; G421-S424 PolarHBondContact N-OG 3.05Å; G421-S424 PolarHBondContact O-N 2.91Å; G421-S424 PolarHBondContact O-OG 2.87Å; P422-S424 VanDerWaalsContact C-N 3.32Å; P422-S424 PolarHBondContact O-N 3.11Å
425	M	51.1	Low	62.7	Low	18 Å²	18	44.9 Å²	44.9	9%	0.089	25%	0.253	C	S	.	.	S	Bend	trans	-105	-11.7	-176.6	-65.7	-81.4	-90.5	0	0	112.8	I282 H419 P422 Q423 W434 I484	I282-M425 HydrophobicContact CG2-CE 3.65Å; I282-M425 HydrophobicContact CG2-SD 4.16Å; H419-M425 HydrophobicContact CB-CG 3.77Å; H419-M425 HydrophobicContact CB-SD 3.34Å; H419-M425 WeakPolarHBondContact CB-SD 3.36Å; H419-M425 PolarHBondContact CD2-SD 2.85Å; P422-M425 PolarHBondContact O-N 3.31Å; Q423-M425 VanDerWaalsContact C-N 3.29Å; M425-W434 HydrophobicContact CB-CD2 4.29Å; M425-W434 HydrophobicContact CB-CZ2 4.47Å; M425-I484 HydrophobicContact CE-CD1 3.19Å; M425-I484 HydrophobicContact CE-CG1 4.41Å; M425-I484 HydrophobicContact CE-CG2 4.21Å
426	G	47.1	Very low	61.8	Low	11 Å²	11	45.6 Å²	45.6	11%	0.113	26%	0.257	C	S	.	.	S	Bend	trans	-116.8	140.2	-169.6	0	0	0	0	0	115.3	M428	G426-M428 PolarHBondContact O-N 3.17Å
427	E	45.9	Very low	61.2	Low	113 Å²	113	45.6 Å²	45.6	53%	0.528	26%	0.257	S	S	.	.			trans	-64.6	117.8	-173.4	-61.7	177.9	141.7	0	0	113.4	D429 R432	E427-D429 PolarHBondContact O-N 3.42Å; E427-R432 IonicContact OE2-CZ 2.61Å; E427-R432 IonicContact OE2-NH1 3.77Å; E427-R432 PolarHBondContact OE2-NH1 2.65Å; E427-R432 IonicContact OE2-NH2 3.79Å; E427-R432 PolarHBondContact OE2-NH2 2.7Å
428	M	39.7	Very low	60.8	Low	132 Å²	132	46.1 Å²	46.1	65%	0.65	26%	0.26	S	S	*	.	S	Bend	trans	18.1	2.9	140.5	-119.9	172.2	-161.2	0	0	124.7	K302 E305 G426	K302-M428 PolarHBondContact NZ-SD 3.01Å; E305-M428 WeakPolarHBondContact OE2-CE 3.46Å; G426-M428 PolarHBondContact O-N 3.17Å
429	D	42.7	Very low	60.7	Low	135 Å²	135	46.4 Å²	46.4	72%	0.722	26%	0.261	S	S	*	.	S	Bend	trans	-120.4	59.2	173.6	-91.2	-18.6	0	0	0	111.8	E427 N431	E427-D429 PolarHBondContact O-N 3.42Å; D429-N431 PolarHBondContact O-N 3.32Å
430	G	43.2	Very low	60.9	Low	84 Å²	84	49.2 Å²	49.2	87%	0.866	27%	0.274	S	S	*	.	S	Bend	trans	59.9	-9.1	153.2	0	0	0	0	0	120.5
431	N	46.3	Very low	61.6	Low	132 Å²	132	48 Å²	48	71%	0.706	27%	0.272	S	S	*	.			trans	-130.4	-8.1	-169	-84.2	-6	0	0	0	114.4	D429 V433	D429-N431 PolarHBondContact O-N 3.32Å; N431-V433 PolarHBondContact O-N 2.78Å; N431-V433 VanDerWaalsContact O-N 3.12Å
432	R	54.2	Low	62.8	Low	41 Å²	41	49.9 Å²	49.9	16%	0.155	28%	0.284	C	S	.	.			trans	-82.8	98.7	-175.5	-63.3	-162	-171	172.1	19.7	112	E427 D475 E576	E427-R432 IonicContact OE2-CZ 2.61Å; E427-R432 IonicContact OE2-NH1 3.77Å; E427-R432 PolarHBondContact OE2-NH1 2.65Å; E427-R432 IonicContact OE2-NH2 3.79Å; E427-R432 PolarHBondContact OE2-NH2 2.7Å; R432-D475 IonicContact CZ-OD2 2.71Å; R432-D475 IonicContact NE-OD2 2.69Å; R432-D475 IonicContact NH2-OD2 3.21Å; R432-D475 PolarHBondContact NH2-OD2 3.17Å; R432-E576 IonicContact NH1-OE1 2.6Å; R432-E576 PolarHBondContact NH1-OE1 3.11Å
433	V	59.4	Low	64.8	Low	76 Å²	76	49.8 Å²	49.8	46%	0.461	28%	0.283	S	S	.	.			trans	-95.4	97.5	179.2	168.1	0	0	0	0	108.8	P83 N431 E576	P83-V433 HydrophobicContact CB-CG1 3.57Å; P83-V433 HydrophobicContact CB-CG2 4.48Å; P83-V433 HydrophobicContact CG-CB 4.45Å; P83-V433 HydrophobicContact CG-CG1 3.15Å; N431-V433 PolarHBondContact O-N 2.78Å; N431-V433 VanDerWaalsContact O-N 3.12Å; V433-E576 CarbonylContact O-C 3.6Å
434	W	65.3	Low	66.8	Low	6 Å²	6	48.1 Å²	48.1	2%	0.023	28%	0.275	C	S	.	.			trans	-71.5	133.9	169	-71.7	80.3	0	0	0	109.7	P422 M425 T482 I484 F574 S575 E576	P422-W434 HydrophobicContact CB-CB 3.19Å; P422-W434 HydrophobicContact CB-CG 4.35Å; P422-W434 WeakPolarHBondContact CB-O 3.45Å; P422-W434 WeakPolarHBondContact O-CB 3.22Å; P422-W434 VanDerWaalsContact O-CG 3.31Å; M425-W434 HydrophobicContact CB-CD2 4.29Å; M425-W434 HydrophobicContact CB-CZ2 4.47Å; W434-T482 HydrophobicContact CH2-CG2 3.63Å; W434-T482 HydrophobicContact CZ3-CG2 4.29Å; W434-I484 HydrophobicContact CH2-CD1 3.77Å; W434-I484 HydrophobicContact CH2-CG1 4.43Å; W434-I484 HydrophobicContact CZ3-CD1 3.8Å; W434-I484 HydrophobicContact CZ3-CG1 4.24Å; W434-F574 HydrophobicContact CE3-CB 4Å; W434-F574 HydrophobicContact CZ3-CB 4.27Å; W434-S575 CarbonylContact C-O 3.55Å; W434-S575 VanDerWaalsContact CA-O 3.25Å; W434-S575 WeakPolarHBondContact CA-O 3.45Å; W434-S575 VanDerWaalsContact CE3-C 3.48Å; W434-E576 HydrophobicContact CD2-CG 4Å; W434-E576 HydrophobicContact CE3-CG 4.3Å; W434-E576 HydrophobicContact CH2-CG 3.92Å; W434-E576 HydrophobicContact CZ2-CG 3.58Å; W434-E576 HydrophobicContact CZ3-CG 4.27Å
435	E	71.1	Confident	68.5	Low	34 Å²	34	53.5 Å²	53.5	16%	0.159	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	141.4	168.9	-165.4	-176.5	-142.7	0	0	109	V80 F574 S575 P578 R579	V80-E435 HydrophobicContact CG1-CG 4.14Å; V80-E435 WeakPolarHBondContact CG1-OE1 3.45Å; E435-F574 WeakPolarHBondContact O-CA 3.29Å; E435-S575 PolarHBondContact N-O 3.31Å; E435-S575 PolarHBondContact O-N 3.47Å; E435-S575 VanDerWaalsContact O-N 3.08Å; E435-P578 WeakPolarHBondContact OE2-CA 3.15Å; E435-R579 PolarHBondContact OE2-N 3.48Å
436	M	76.5	Confident	70.1	Confident	16 Å²	16	55.2 Å²	55.2	8%	0.079	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	128.4	170.8	179.2	179.8	63	0	0	109.1	V81 P422 I438 I573 F574	V81-M436 HydrophobicContact CB-CB 4.49Å; V81-M436 HydrophobicContact CB-CE 3.61Å; V81-M436 HydrophobicContact CG1-CE 3.98Å; V81-M436 HydrophobicContact CG2-CE 3.34Å; V81-M436 PolarHBondContact N-O 3.01Å; P422-M436 HydrophobicContact CG-CB 4.15Å; M436-I438 HydrophobicContact CE-CD1 3.87Å; M436-I438 HydrophobicContact CE-CG1 4.21Å; M436-I438 HydrophobicContact CG-CG1 4.28Å; M436-I438 HydrophobicContact SD-CD1 4.34Å; M436-I438 HydrophobicContact SD-CG1 4.25Å; M436-I573 WeakPolarHBondContact CA-O 3.36Å; M436-F574 HydrophobicContact CB-CD1 3.83Å; M436-F574 HydrophobicContact CB-CE1 3.72Å; M436-F574 HydrophobicContact CB-CZ 4.3Å; M436-F574 HydrophobicContact CG-CD1 4.01Å; M436-F574 HydrophobicContact CG-CD2 4.49Å; M436-F574 HydrophobicContact CG-CE1 3.6Å; M436-F574 HydrophobicContact CG-CE2 4.07Å; M436-F574 HydrophobicContact CG-CG 4.45Å; M436-F574 HydrophobicContact CG-CZ 3.64Å; M436-F574 HydrophobicContact SD-CD1 4.43Å; M436-F574 HydrophobicContact SD-CE1 3.44Å; M436-F574 WeakPolarHBondContact SD-CE1 3.36Å; M436-F574 HydrophobicContact SD-CE2 4.03Å; M436-F574 HydrophobicContact SD-CZ 3.2Å; M436-F574 WeakPolarHBondContact SD-CZ 3.42Å
437	C	80.5	Confident	72.1	Confident	3 Å²	3	54.9 Å²	54.9	2%	0.02	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	135.7	166.4	-163.5	0	0	0	0	110.9	K78 R572 I573 T581	K78-C437 WeakPolarHBondContact CE-SG 3.48Å; K78-C437 VanDerWaalsContact CG-SG 3.57Å; C437-R572 WeakPolarHBondContact O-CA 3.23Å; C437-I573 PolarHBondContact N-O 2.84Å; C437-I573 PolarHBondContact O-N 2.83Å; C437-T581 HydrophobicContact CB-CG2 3.99Å; C437-T581 PolarHBondContact SG-OG1 3.46Å
438	I	83.2	Confident	74.3	Confident	11 Å²	11	49.7 Å²	49.7	6%	0.056	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	127.3	174.9	-58	178.5	0	0	0	108.1	M436 M570 L571 R572	M436-I438 HydrophobicContact CE-CD1 3.87Å; M436-I438 HydrophobicContact CE-CG1 4.21Å; M436-I438 HydrophobicContact CG-CG1 4.28Å; M436-I438 HydrophobicContact SD-CD1 4.34Å; M436-I438 HydrophobicContact SD-CG1 4.25Å; I438-M570 HydrophobicContact CG2-CG 3.55Å; I438-M570 HydrophobicContact CG2-SD 3.74Å; I438-L571 WeakPolarHBondContact CA-O 3.36Å; I438-R572 HydrophobicContact CG1-CG 4.45Å
439	E	87.2	Confident	76.9	Confident	7 Å²	7	43.4 Å²	43.4	3%	0.033	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	129.5	172.1	-63.1	-69.9	170.9	0	0	109.1	Y465 L571 T581	E439-Y465 HydrophobicContact CB-CD1 3.8Å; E439-Y465 HydrophobicContact CB-CE1 3.54Å; E439-Y465 HydrophobicContact CG-CD1 3.76Å; E439-Y465 HydrophobicContact CG-CE1 3.99Å; E439-L571 HydrophobicContact CB-CB 4.3Å; E439-L571 PolarHBondContact N-O 2.82Å; E439-L571 PolarHBondContact O-N 3.47Å; E439-T581 VanDerWaalsContact OE1-CB 3.27Å; E439-T581 WeakPolarHBondContact OE1-CB 3.3Å; E439-T581 PolarHBondContact OE1-OG1 3.03Å
440	E	87.7	Confident	79.4	Confident	66 Å²	66	37 Å²	37	31%	0.308	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	143.2	173.6	-54.8	-149.6	140.1	0	0	111	Y465 K490	E440-Y465 PolarHBondContact O-OH 3.21Å; E440-K490 IonicContact OE1-NZ 2.85Å; E440-K490 PolarHBondContact OE1-NZ 2.76Å; E440-K490 IonicContact OE2-NZ 2.73Å; E440-K490 PolarHBondContact OE2-NZ 3.16Å
441	G	89.3	Confident	82	Confident	18 Å²	18	33 Å²	33	19%	0.186	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	173.9	177.8	0	0	0	0	0	113.1	Y465 F569	G441-Y465 WeakPolarHBondContact CA-OH 3.3Å; G441-F569 VanDerWaalsContact C-CE1 3.49Å; G441-F569 PolarHBondContact N-O 3.24Å; G441-F569 PolarHBondContact O-N 3.28Å; G441-F569 VanDerWaalsContact O-O 3.05Å
442	C	92.4	Very high	84.4	Confident	48 Å²	48	26.9 Å²	26.9	32%	0.324	13%	0.132	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	145.2	174.5	65.8	0	0	0	0	111.8	S448 A567 D568 F569	C442-S448 PolarHBondContact O-OG 2.95Å; C442-A567 WeakPolarHBondContact CA-O 2.95Å; C442-D568 WeakPolarHBondContact CB-OD1 3.31Å; C442-F569 VanDerWaalsContact N-CE1 3.35Å
443	W	93.9	Very high	86.4	Confident	3 Å²	3	28.5 Å²	28.5	1%	0.011	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	109.8	162.6	-56.8	-65.1	0	0	0	107.7	A449 L487 I505 P558 T560 E565 E566 A567 F569	W443-A449 HydrophobicContact CB-CB 3.99Å; W443-L487 HydrophobicContact CH2-CD1 4.23Å; W443-L487 HydrophobicContact CH2-CD2 4.17Å; W443-L487 HydrophobicContact CH2-CG 4.41Å; W443-L487 HydrophobicContact CZ2-CD1 4.28Å; W443-L487 HydrophobicContact CZ2-CD2 4.09Å; W443-I505 HydrophobicContact CH2-CB 4.23Å; W443-I505 HydrophobicContact CH2-CG2 3.67Å; W443-I505 HydrophobicContact CZ3-CG2 3.83Å; W443-P558 HydrophobicContact CZ2-CB 4.14Å; W443-P558 PolarHBondContact NE1-O 2.92Å; W443-T560 HydrophobicContact CD2-CG2 3.82Å; W443-T560 HydrophobicContact CE3-CG2 3.61Å; W443-T560 HydrophobicContact CG-CG2 4.33Å; W443-T560 HydrophobicContact CH2-CG2 4.44Å; W443-T560 HydrophobicContact CZ3-CG2 3.95Å; W443-E565 WeakPolarHBondContact CB-O 3.33Å; W443-E566 VanDerWaalsContact O-CA 3.25Å; W443-E566 WeakPolarHBondContact O-CA 3.2Å; W443-A567 HydrophobicContact CE3-CB 3.94Å; W443-A567 HydrophobicContact CZ3-CB 4.21Å; W443-A567 PolarHBondContact N-O 3.07Å; W443-A567 PolarHBondContact O-N 2.82Å; W443-F569 AromaticContact CD2-CD1 3.63Å; W443-F569 HydrophobicContact CD2-CD1 3.63Å; W443-F569 AromaticContact CD2-CE1 3.99Å; W443-F569 HydrophobicContact CD2-CE1 3.99Å; W443-F569 AromaticContact CE2-CD1 3.52Å; W443-F569 AromaticContact CE2-CE1 3.68Å; W443-F569 AromaticContact CE3-CD1 3.81Å; W443-F569 HydrophobicContact CE3-CD1 3.81Å; W443-F569 HydrophobicContact CG-CD1 4.29Å; W443-F569 HydrophobicContact CG-CE1 4.25Å; W443-F569 HydrophobicContact CH2-CB 3.83Å; W443-F569 AromaticContact CH2-CD1 3.85Å; W443-F569 HydrophobicContact CH2-CD1 3.85Å; W443-F569 AromaticContact CH2-CG 4Å; W443-F569 HydrophobicContact CH2-CG 4Å; W443-F569 HydrophobicContact CZ2-CB 4.39Å; W443-F569 AromaticContact CZ2-CD1 3.66Å; W443-F569 HydrophobicContact CZ2-CD1 3.66Å; W443-F569 HydrophobicContact CZ2-CE1 4.1Å; W443-F569 HydrophobicContact CZ2-CG 4.05Å; W443-F569 HydrophobicContact CZ3-CB 3.9Å; W443-F569 AromaticContact CZ3-CD1 3.93Å; W443-F569 HydrophobicContact CZ3-CD1 3.93Å; W443-F569 HydrophobicContact CZ3-CG 4.27Å; W443-F569 AromaticContact NE1-CE1 3.71Å
444	Q	91.2	Very high	88.2	Confident	48 Å²	48	30.7 Å²	30.7	22%	0.224	15%	0.147	C	C	.	.			trans	-107.5	132.1	177.2	-179.6	-178.9	-0.6	0	0	109.3	R446 V447 S448 A449 S722	Q444-R446 PolarHBondContact O-N 3.23Å; Q444-V447 HydrophobicContact CB-CB 4.03Å; Q444-V447 HydrophobicContact CG-CB 4.06Å; Q444-V447 HydrophobicContact CG-CG2 4.12Å; Q444-V447 PolarHBondContact O-N 3Å; Q444-S448 PolarHBondContact N-OG 2.65Å; Q444-S448 PolarHBondContact O-N 2.86Å; Q444-A449 WeakPolarHBondContact O-CB 3.03Å; Q444-A449 PolarHBondContact O-N 2.77Å; Q444-S722 PolarHBondContact NE2-OG 2.86Å; Q444-S722 VanDerWaalsContact OE1-CB 3.28Å; Q444-S722 PolarHBondContact OE1-OG 2.58Å
445	R	90.5	Very high	89.6	Confident	122 Å²	122	33.6 Å²	33.6	46%	0.46	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	134.4	-178.2	-179.6	165.4	-175	177.9	5.4	110	V447 N564 E566	R445-V447 PolarHBondContact O-N 2.92Å; R445-V447 VanDerWaalsContact O-N 3.08Å; R445-N564 HydrophobicContact CG-CB 4.05Å; R445-E566 VanDerWaalsContact CB-CD 3.41Å; R445-E566 HydrophobicContact CB-CG 3.57Å; R445-E566 WeakPolarHBondContact CB-OE1 3.22Å; R445-E566 PolarHBondContact N-OE1 3.11Å
446	R	86	Confident	90.7	Very high	54 Å²	54	34.3 Å²	34.3	20%	0.204	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.3	0.1	-177	-58.2	159.7	-173.4	165.6	2	115.1	Q444 N564 S702 V725 R731 D732 G733	Q444-R446 PolarHBondContact O-N 3.23Å; R446-N564 PolarHBondContact N-OD1 3.47Å; R446-S702 WeakPolarHBondContact CB-OG 3.34Å; R446-S702 WeakPolarHBondContact O-CB 3.44Å; R446-S702 PolarHBondContact O-OG 2.87Å; R446-V725 HydrophobicContact CB-CG1 4.28Å; R446-R731 PolarHBondContact NH1-O 2.91Å; R446-R731 PolarHBondContact NH2-O 3Å; R446-D732 VanDerWaalsContact CZ-C 3.41Å; R446-D732 VanDerWaalsContact CZ-O 3.31Å; R446-D732 PolarHBondContact NH2-O 3.12Å; R446-G733 VanDerWaalsContact CZ-N 3.26Å
447	V	88.4	Confident	91.4	Very high	3 Å²	3	39.2 Å²	39.2	2%	0.018	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.1	-60.5	-178.9	171.4	0	0	0	0	110.3	Q444 R445 F721 V725	Q444-V447 HydrophobicContact CB-CB 4.03Å; Q444-V447 HydrophobicContact CG-CB 4.06Å; Q444-V447 HydrophobicContact CG-CG2 4.12Å; Q444-V447 PolarHBondContact O-N 3Å; R445-V447 PolarHBondContact O-N 2.92Å; R445-V447 VanDerWaalsContact O-N 3.08Å; V447-F721 HydrophobicContact CG1-CD1 4.17Å; V447-F721 HydrophobicContact CG2-CD1 4.4Å; V447-V725 HydrophobicContact CG2-CB 3.95Å; V447-V725 HydrophobicContact CG2-CG1 4.01Å; V447-V725 HydrophobicContact CG2-CG2 4.07Å
448	S	91.6	Very high	92.1	Very high	4 Å²	4	40.5 Å²	40.5	3%	0.028	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131.9	-3.6	-173.9	61.1	0	0	0	0	113.6	C442 Q444 G450 I461 N462	C442-S448 PolarHBondContact O-OG 2.95Å; Q444-S448 PolarHBondContact N-OG 2.65Å; Q444-S448 PolarHBondContact O-N 2.86Å; S448-G450 VanDerWaalsContact C-N 3.29Å; S448-G450 PolarHBondContact O-N 3Å; S448-I461 WeakPolarHBondContact CA-O 3.5Å; S448-N462 WeakPolarHBondContact O-CA 3.28Å; S448-N462 PolarHBondContact O-OD1 3.31Å
449	A	94.6	Very high	92.7	Very high	1 Å²	1	40 Å²	40	1%	0.008	20%	0.197	C	C	.	.			trans	-80.4	71.3	177.5	0	0	0	0	0	111.9	W443 Q444 N564 E565	W443-A449 HydrophobicContact CB-CB 3.99Å; Q444-A449 WeakPolarHBondContact O-CB 3.03Å; Q444-A449 PolarHBondContact O-N 2.77Å; A449-N564 PolarHBondContact O-N 3.32Å; A449-E565 WeakPolarHBondContact CB-O 3.09Å
450	G	96.1	Very high	93	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.201	C	C	.	.			trans	-79.3	-16.1	-173.2	0	0	0	0	0	115.6	S448 T458 N462	S448-G450 VanDerWaalsContact C-N 3.29Å; S448-G450 PolarHBondContact O-N 3Å; G450-T458 WeakPolarHBondContact CA-O 3.48Å; G450-T458 CarbonylContact O-C 3.54Å; G450-T458 VanDerWaalsContact O-CB 3.28Å; G450-T458 WeakPolarHBondContact O-CB 3.23Å; G450-T458 PolarHBondContact O-OG1 3.1Å; G450-N462 PolarHBondContact N-OD1 2.85Å
451	G	97.3	Very high	93.3	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.19	C	C	.	.			trans	71.3	-176.4	-173	0	0	0	0	0	112.3	F459 N462 S559 T560	G451-F459 VanDerWaalsContact O-CD2 3.32Å; G451-F459 WeakPolarHBondContact O-CD2 3.33Å; G451-N462 PolarHBondContact O-ND2 2.92Å; G451-S559 WeakPolarHBondContact O-CB 3.42Å; G451-T560 CarbonylContact C-O 3.39Å; G451-T560 VanDerWaalsContact CA-O 3.28Å; G451-T560 WeakPolarHBondContact CA-O 3.26Å
452	C	97.1	Very high	93.6	Very high	3 Å²	3	38 Å²	38	2%	0.02	18%	0.182	C	C	.	.			trans	-80.8	176	-175.3	72.7	0	0	0	0	112.9	N454 F455 F537 T560 F561	C452-N454 PolarHBondContact O-N 3.47Å; C452-F455 PolarHBondContact O-N 3.07Å; C452-F537 HydrophobicContact CB-CD1 4.25Å; C452-F537 HydrophobicContact CB-CE1 3.57Å; C452-F537 HydrophobicContact CB-CE2 4.23Å; C452-F537 HydrophobicContact CB-CZ 3.56Å; C452-T560 PolarHBondContact N-O 3.24Å; C452-F561 HydrophobicContact CB-CD2 4.44Å; C452-F561 PolarHBondContact N-O 3.13Å; C452-F561 VanDerWaalsContact N-O 3.09Å; C452-F561 PolarHBondContact SG-O 3.39Å
453	R	95.9	Very high	93.6	Very high	76 Å²	76	35.9 Å²	35.9	29%	0.287	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-13.5	-175.5	-177	54.4	-174.8	68.5	0.3	114.9	F455 F459 Y510 F525	R453-F455 PolarHBondContact O-N 3.11Å; R453-F459 HydrophobicContact CB-CD2 4.18Å; R453-F459 HydrophobicContact CB-CE1 4.45Å; R453-F459 HydrophobicContact CB-CE2 4.12Å; R453-F459 HydrophobicContact CB-CG 4.39Å; R453-F459 HydrophobicContact CB-CZ 4.25Å; R453-F459 VanDerWaalsContact N-CD2 3.3Å; R453-Y510 WeakPolarHBondContact CD-OH 3.5Å; R453-F525 PolarHBondContact NE-O 3Å; R453-F525 PolarHBondContact NH2-O 2.89Å
454	N	95.9	Very high	93.6	Very high	121 Å²	121	35.9 Å²	35.9	65%	0.647	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-24.2	170.9	-65	-18.1	0	0	0	112.3	C452	C452-N454 PolarHBondContact O-N 3.47Å
455	F	96.2	Very high	93.7	Very high	68 Å²	68	33.6 Å²	33.6	30%	0.298	16%	0.157	S	C	.	.			trans	-104.6	70.6	178.5	-56.7	-84.3	0	0	0	109.8	C452 R453 D457 T458 F459 F561 P563	C452-F455 PolarHBondContact O-N 3.07Å; R453-F455 PolarHBondContact O-N 3.11Å; F455-D457 PolarHBondContact O-N 3.27Å; F455-T458 WeakPolarHBondContact CB-OG1 3.48Å; F455-T458 PolarHBondContact O-N 3.26Å; F455-T458 VanDerWaalsContact O-N 3.09Å; F455-T458 PolarHBondContact O-OG1 2.53Å; F455-F459 VanDerWaalsContact O-CB 3.31Å; F455-F459 WeakPolarHBondContact O-CB 3.32Å; F455-F459 PolarHBondContact O-N 2.92Å; F455-F561 VanDerWaalsContact CE2-O 3.3Å; F455-F561 WeakPolarHBondContact CE2-O 3.5Å; F455-P563 HydrophobicContact CD1-CG 4.06Å; F455-P563 HydrophobicContact CE1-CG 4.26Å; F455-P563 HydrophobicContact CG-CG 4.19Å
456	L	93.8	Very high	93.7	Very high	48 Å²	48	28.5 Å²	28.5	25%	0.251	14%	0.139	S	C	.	.	H	α-helix	trans	-55	-37.9	-172.2	-127.6	157.4	0	0	0	113.6	T458 M522 K526	L456-T458 PolarHBondContact O-N 2.98Å; L456-M522 HydrophobicContact CD2-CG 4.03Å; L456-K526 HydrophobicContact CD2-CB 4Å
457	D	91.3	Very high	93.8	Very high	119 Å²	119	25.9 Å²	25.9	64%	0.636	13%	0.129	S	C	*	.	H	α-helix	trans	-66.8	-22.7	-176.7	-55.7	-34.5	0	0	0	112.9	F455 W460	F455-D457 PolarHBondContact O-N 3.27Å; D457-W460 PolarHBondContact O-NE1 2.73Å
458	T	94.3	Very high	93.7	Very high	30 Å²	30	27.5 Å²	27.5	18%	0.184	14%	0.139	C	C	.	.	H	α-helix	trans	-118.1	-22	-177	56.3	0	0	0	0	112.8	G450 F455 L456 W460 I461 I703	G450-T458 WeakPolarHBondContact CA-O 3.48Å; G450-T458 CarbonylContact O-C 3.54Å; G450-T458 VanDerWaalsContact O-CB 3.28Å; G450-T458 WeakPolarHBondContact O-CB 3.23Å; G450-T458 PolarHBondContact O-OG1 3.1Å; F455-T458 WeakPolarHBondContact CB-OG1 3.48Å; F455-T458 PolarHBondContact O-N 3.26Å; F455-T458 VanDerWaalsContact O-N 3.09Å; F455-T458 PolarHBondContact O-OG1 2.53Å; L456-T458 PolarHBondContact O-N 2.98Å; T458-W460 PolarHBondContact O-N 2.93Å; T458-W460 VanDerWaalsContact O-N 3.1Å; T458-I461 WeakPolarHBondContact O-CG1 3.36Å; T458-I461 PolarHBondContact O-N 3.36Å; T458-I703 HydrophobicContact CG2-CD1 3.69Å
459	F	96.7	Very high	93.3	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.009	14%	0.138	C	C	.	.	H	α-helix	trans	-54.1	-36.8	-174.1	177.5	-108.1	0	0	0	113.6	G451 R453 F455 I461 N462 A508 Y510 F525 I557	G451-F459 VanDerWaalsContact O-CD2 3.32Å; G451-F459 WeakPolarHBondContact O-CD2 3.33Å; R453-F459 HydrophobicContact CB-CD2 4.18Å; R453-F459 HydrophobicContact CB-CE1 4.45Å; R453-F459 HydrophobicContact CB-CE2 4.12Å; R453-F459 HydrophobicContact CB-CG 4.39Å; R453-F459 HydrophobicContact CB-CZ 4.25Å; R453-F459 VanDerWaalsContact N-CD2 3.3Å; F455-F459 VanDerWaalsContact O-CB 3.31Å; F455-F459 WeakPolarHBondContact O-CB 3.32Å; F455-F459 PolarHBondContact O-N 2.92Å; F459-I461 PolarHBondContact O-N 2.92Å; F459-N462 PolarHBondContact O-N 3.14Å; F459-N462 PolarHBondContact O-ND2 2.76Å; F459-A508 HydrophobicContact CZ-CB 4.33Å; F459-Y510 HydrophobicContact CE1-CE2 4Å; F459-Y510 HydrophobicContact CZ-CE2 4.17Å; F459-F525 HydrophobicContact CD1-CB 4.22Å; F459-F525 AromaticContact CD1-CD1 3.95Å; F459-F525 HydrophobicContact CD1-CD1 3.95Å; F459-F525 HydrophobicContact CD1-CD2 4.14Å; F459-F525 HydrophobicContact CD1-CE1 4.33Å; F459-F525 AromaticContact CD1-CG 3.83Å; F459-F525 HydrophobicContact CD1-CG 3.83Å; F459-F525 AromaticContact CE1-CD1 3.57Å; F459-F525 HydrophobicContact CE1-CD1 3.57Å; F459-F525 HydrophobicContact CE1-CD2 4.49Å; F459-F525 AromaticContact CE1-CE1 3.74Å; F459-F525 HydrophobicContact CE1-CE1 3.74Å; F459-F525 AromaticContact CE1-CG 3.96Å; F459-F525 HydrophobicContact CE1-CG 3.96Å; F459-F525 HydrophobicContact CE1-CZ 4.27Å; F459-I557 HydrophobicContact CE1-CB 4.44Å; F459-I557 HydrophobicContact CE1-CG1 4.44Å; F459-I557 HydrophobicContact CE1-CG2 4.07Å; F459-I557 HydrophobicContact CE2-CB 4.46Å; F459-I557 HydrophobicContact CE2-CG2 3.86Å; F459-I557 HydrophobicContact CZ-CB 3.81Å; F459-I557 HydrophobicContact CZ-CG1 4.24Å; F459-I557 HydrophobicContact CZ-CG2 3.52Å
460	W	94	Very high	92.5	Very high	29 Å²	29	32.2 Å²	32.2	11%	0.11	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-15.8	-176	66.5	-85.4	0	0	0	114	D457 T458 N462 Q464 M522 F525 I703	D457-W460 PolarHBondContact O-NE1 2.73Å; T458-W460 PolarHBondContact O-N 2.93Å; T458-W460 VanDerWaalsContact O-N 3.1Å; W460-N462 VanDerWaalsContact C-N 3.33Å; W460-Q464 PolarHBondContact O-NE2 3.15Å; W460-M522 HydrophobicContact CG-CB 4.06Å; W460-F525 HydrophobicContact CB-CD2 3.54Å; W460-F525 HydrophobicContact CB-CE2 3.56Å; W460-I703 HydrophobicContact CH2-CG2 4.38Å; W460-I703 HydrophobicContact CZ2-CG2 3.61Å
461	I	92.7	Very high	91.4	Very high	16 Å²	16	35.6 Å²	35.6	8%	0.082	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-9.3	177.8	84.3	-163.5	0	0	0	112.8	S448 T458 F459 I703	S448-I461 WeakPolarHBondContact CA-O 3.5Å; T458-I461 WeakPolarHBondContact O-CG1 3.36Å; T458-I461 PolarHBondContact O-N 3.36Å; F459-I461 PolarHBondContact O-N 2.92Å; I461-I703 HydrophobicContact CD1-CD1 4.09Å; I461-I703 HydrophobicContact CD1-CG1 4.28Å; I461-I703 HydrophobicContact CG2-CD1 4.46Å; I461-I703 HydrophobicContact CG2-CG1 4.37Å
462	N	95.7	Very high	90.2	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.011	19%	0.19	C	C	.	.	S	Bend	trans	-59.9	151.3	173.1	-70.2	-66.6	0	0	0	110.2	S448 G450 G451 F459 W460 Q464 I557	S448-N462 WeakPolarHBondContact O-CA 3.28Å; S448-N462 PolarHBondContact O-OD1 3.31Å; G450-N462 PolarHBondContact N-OD1 2.85Å; G451-N462 PolarHBondContact O-ND2 2.92Å; F459-N462 PolarHBondContact O-N 3.14Å; F459-N462 PolarHBondContact O-ND2 2.76Å; W460-N462 VanDerWaalsContact C-N 3.33Å; N462-Q464 VanDerWaalsContact O-CG 3.24Å; N462-Q464 WeakPolarHBondContact O-CG 3.29Å; N462-I557 HydrophobicContact CB-CG2 3.85Å
463	P	93.3	Very high	88.9	Confident	4 Å²	4	37.9 Å²	37.9	3%	0.026	19%	0.193	C	C	.	.			trans	-54.3	144.7	172.7	-25	37.3	0	0	0	110.7	Y465 P558 F569	P463-Y465 HydrophobicContact CB-CE2 3.78Å; P463-P558 WeakPolarHBondContact O-CD 3.45Å; P463-F569 HydrophobicContact CB-CZ 4Å; P463-F569 HydrophobicContact CG-CE1 4.01Å; P463-F569 HydrophobicContact CG-CZ 3.87Å
464	Q	94	Very high	87.5	Confident	4 Å²	4	40.7 Å²	40.7	2%	0.019	21%	0.209	C	C	.	.			trans	-127.6	127.9	-173.7	-48.9	-173.9	2.8	0	0	108.4	W460 N462 L520 I557 E583 L584	W460-Q464 PolarHBondContact O-NE2 3.15Å; N462-Q464 VanDerWaalsContact O-CG 3.24Å; N462-Q464 WeakPolarHBondContact O-CG 3.29Å; Q464-L520 PolarHBondContact NE2-O 3.07Å; Q464-L520 VanDerWaalsContact OE1-CB 3.26Å; Q464-L520 VanDerWaalsContact OE1-CG 3.32Å; Q464-I557 HydrophobicContact CB-CD1 3.8Å; Q464-I557 HydrophobicContact CG-CD1 3.71Å; Q464-E583 CarbonylContact O-C 3.46Å; Q464-E583 WeakPolarHBondContact O-CA 3.35Å; Q464-L584 HydrophobicContact CB-CB 4.03Å; Q464-L584 HydrophobicContact CB-CD2 4.47Å; Q464-L584 PolarHBondContact O-N 2.81Å
465	Y	91.8	Very high	86	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	121.7	-177.2	-62.5	-87.7	0	0	0	110.5	E439 E440 G441 P463 A555 I556 P558 F569 L571 E583	E439-Y465 HydrophobicContact CB-CD1 3.8Å; E439-Y465 HydrophobicContact CB-CE1 3.54Å; E439-Y465 HydrophobicContact CG-CD1 3.76Å; E439-Y465 HydrophobicContact CG-CE1 3.99Å; E440-Y465 PolarHBondContact O-OH 3.21Å; G441-Y465 WeakPolarHBondContact CA-OH 3.3Å; P463-Y465 HydrophobicContact CB-CE2 3.78Å; Y465-A555 CarbonylContact O-C 3.26Å; Y465-A555 WeakPolarHBondContact O-CA 3.11Å; Y465-I556 PolarHBondContact N-O 3.34Å; Y465-I556 PolarHBondContact O-N 2.79Å; Y465-P558 HydrophobicContact CD2-CG 3.91Å; Y465-P558 HydrophobicContact CE2-CG 3.65Å; Y465-F569 AromaticContact CE2-CE2 3.86Å; Y465-F569 HydrophobicContact CE2-CE2 3.86Å; Y465-F569 AromaticContact CE2-CZ 3.96Å; Y465-F569 HydrophobicContact CE2-CZ 3.96Å; Y465-L571 HydrophobicContact CD1-CD2 4.42Å; Y465-L571 HydrophobicContact CD2-CD2 3.49Å; Y465-L571 VanDerWaalsContact CD2-CD2 3.49Å; Y465-L571 HydrophobicContact CE2-CD2 4.09Å; Y465-L571 HydrophobicContact CG-CD2 3.67Å; Y465-E583 HydrophobicContact CD1-CB 4.06Å; Y465-E583 HydrophobicContact CD1-CG 4.35Å; Y465-E583 HydrophobicContact CE1-CB 3.9Å; Y465-E583 HydrophobicContact CE1-CG 4Å
466	V	90.2	Very high	84.5	Confident	14 Å²	14	38 Å²	38	9%	0.085	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	136.5	176.2	-179.4	0	0	0	0	109.5	L512 Y554 T581 Q582 L584	V466-L512 HydrophobicContact CG1-CD1 4.08Å; V466-L512 HydrophobicContact CG2-CD1 4.02Å; V466-Y554 CarbonylContact C-O 3.58Å; V466-Y554 VanDerWaalsContact CA-O 3.29Å; V466-Y554 WeakPolarHBondContact CA-O 3.32Å; V466-T581 VanDerWaalsContact O-CA 3.28Å; V466-T581 WeakPolarHBondContact O-CA 3.42Å; V466-Q582 PolarHBondContact N-O 3.18Å; V466-Q582 PolarHBondContact O-N 3.28Å; V466-L584 HydrophobicContact CG2-CB 4.02Å; V466-L584 HydrophobicContact CG2-CD1 4.02Å; V466-L584 HydrophobicContact CG2-CD2 4.15Å; V466-L584 HydrophobicContact CG2-CG 4.31Å
467	V	88.1	Confident	83.3	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	139.1	170	64.9	0	0	0	0	109.5	L483 Y554 I556 I573 T581	V467-L483 HydrophobicContact CG1-CD1 4.43Å; V467-L483 HydrophobicContact CG1-CD2 4.25Å; V467-L483 HydrophobicContact CG2-CD1 3.91Å; V467-Y554 PolarHBondContact N-O 2.96Å; V467-Y554 PolarHBondContact O-N 2.95Å; V467-I556 HydrophobicContact CB-CD1 4.41Å; V467-I556 HydrophobicContact CG1-CD1 3.88Å; V467-I556 HydrophobicContact CG1-CG1 4.1Å; V467-I573 HydrophobicContact CG2-CG2 4.11Å; V467-T581 HydrophobicContact CG2-CG2 4.43Å
468	T	86.4	Confident	82.5	Confident	36 Å²	36	43.3 Å²	43.3	22%	0.221	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	124.4	176.2	-55.1	0	0	0	0	109.7	E470 R553 R579	T468-E470 HydrophobicContact CG2-CG 3.86Å; T468-R553 HydrophobicContact CG2-CG 4.27Å; T468-R579 WeakPolarHBondContact O-CD 3.37Å; T468-R579 VanDerWaalsContact O-CG 3.22Å; T468-R579 WeakPolarHBondContact O-CG 3.38Å; T468-R579 PolarHBondContact O-NE 3.09Å; T468-R579 VanDerWaalsContact O-NE 3.1Å
469	V	84.3	Confident	81.7	Confident	1 Å²	1	47.2 Å²	47.2	1%	0.006	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	98	167.9	-178.7	0	0	0	0	106.6	L549 T551 G552 Y554	V469-L549 HydrophobicContact CG2-CB 4.48Å; V469-T551 CarbonylContact O-C 3.47Å; V469-T551 VanDerWaalsContact O-CA 3.28Å; V469-T551 WeakPolarHBondContact O-CA 3.49Å; V469-G552 PolarHBondContact N-O 3.05Å; V469-G552 PolarHBondContact O-N 3.12Å; V469-Y554 HydrophobicContact CB-CE2 4.1Å; V469-Y554 HydrophobicContact CG2-CD2 3.87Å; V469-Y554 HydrophobicContact CG2-CE2 3.76Å
470	E	77.3	Confident	81	Confident	103 Å²	103	49.7 Å²	49.7	48%	0.481	25%	0.253	S	S	.	.			trans	-73.9	-51.4	-172.3	-64.2	-170.3	163.5	0	0	112.5	T468 T551	T468-E470 HydrophobicContact CG2-CG 3.86Å; E470-T551 WeakPolarHBondContact O-CG2 3.47Å
471	D	72.3	Confident	80.4	Confident	71 Å²	71	48.3 Å²	48.3	38%	0.38	25%	0.248	S	C	.	.	S	Bend	trans	-127.5	154.9	-177.1	-64.7	-47.6	0	0	0	111.4	K577	D471-K577 HydrophobicContact CB-CD 3.76Å; D471-K577 VanDerWaalsContact CG-NZ 3.29Å; D471-K577 VanDerWaalsContact OD2-CD 3.3Å; D471-K577 WeakPolarHBondContact OD2-CD 3.29Å; D471-K577 WeakPolarHBondContact OD2-CE 3.48Å; D471-K577 IonicContact OD2-NZ 2.69Å; D471-K577 PolarHBondContact OD2-NZ 3.18Å
472	P	72.9	Confident	79.9	Confident	35 Å²	35	48.2 Å²	48.2	23%	0.227	25%	0.248	C	C	.	.			trans	-65.7	157.8	165.3	31.9	-36.2	0	0	0	111.7	N479 K480	P472-N479 HydrophobicContact CB-CB 4.12Å; P472-N479 HydrophobicContact CG-CB 4.36Å; P472-K480 WeakPolarHBondContact CA-O 3.38Å
473	D	69.2	Low	79.4	Confident	17 Å²	17	48.1 Å²	48.1	9%	0.091	25%	0.248	C	C	.	.			trans	-66.4	143.2	173.9	-56.5	-20.9	0	0	0	109.2	D475 D476 K480 G481 T482 E576	D473-D475 PolarHBondContact O-N 3.4Å; D473-D475 VanDerWaalsContact O-N 3.15Å; D473-D476 HydrophobicContact CB-CB 4.17Å; D473-D476 PolarHBondContact O-N 2.79Å; D473-D476 VanDerWaalsContact O-N 3.14Å; D473-K480 PolarHBondContact N-O 3.12Å; D473-G481 WeakPolarHBondContact OD1-CA 3.47Å; D473-T482 VanDerWaalsContact CG-N 3.31Å; D473-T482 PolarHBondContact OD1-N 2.89Å; D473-T482 WeakPolarHBondContact OD2-CB 3.35Å; D473-T482 PolarHBondContact OD2-N 2.9Å; D473-T482 PolarHBondContact OD2-OG1 2.85Å; D473-E576 VanDerWaalsContact CB-OE2 3.32Å; D473-E576 WeakPolarHBondContact CB-OE2 3.46Å
474	E	66.4	Low	79.1	Confident	135 Å²	135	47.9 Å²	47.9	63%	0.631	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-28.2	-167.5	-68.2	-172.8	164.6	0	0	114.2
475	D	65.1	Low	79	Confident	110 Å²	110	47.7 Å²	47.7	59%	0.588	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.1	17.9	-178	-68.7	-51	0	0	0	113.1	R432 D473	R432-D475 IonicContact CZ-OD2 2.71Å; R432-D475 IonicContact NE-OD2 2.69Å; R432-D475 IonicContact NH2-OD2 3.21Å; R432-D475 PolarHBondContact NH2-OD2 3.17Å; D473-D475 PolarHBondContact O-N 3.4Å; D473-D475 VanDerWaalsContact O-N 3.15Å
476	D	64.1	Low	79	Confident	22 Å²	22	47.7 Å²	47.7	12%	0.118	25%	0.246	C	C	.	.			trans	-93.4	108.9	179.1	-170	29.5	0	0	0	114.1	D473 E478 N479 K480 R548	D473-D476 HydrophobicContact CB-CB 4.17Å; D473-D476 PolarHBondContact O-N 2.79Å; D473-D476 VanDerWaalsContact O-N 3.14Å; D476-E478 PolarHBondContact O-N 3.24Å; D476-E478 VanDerWaalsContact O-N 3.07Å; D476-E478 PolarHBondContact OD1-N 3.33Å; D476-N479 PolarHBondContact O-N 2.98Å; D476-N479 VanDerWaalsContact O-N 3.08Å; D476-K480 WeakPolarHBondContact OD2-CA 3.42Å; D476-K480 WeakPolarHBondContact OD2-CB 3.38Å; D476-K480 PolarHBondContact OD2-N 2.99Å; D476-R548 IonicContact OD1-CZ 2.69Å; D476-R548 VanDerWaalsContact OD1-CZ 3.3Å; D476-R548 IonicContact OD1-NH1 3.3Å; D476-R548 IonicContact OD1-NH2 3.83Å; D476-R548 PolarHBondContact OD1-NH2 3.13Å; D476-R548 IonicContact OD2-CZ 2.71Å; D476-R548 IonicContact OD2-NE 3.9Å; D476-R548 IonicContact OD2-NH2 3.98Å; D476-R548 PolarHBondContact OD2-NH2 2.87Å
477	D	68.6	Low	79.3	Confident	164 Å²	164	47 Å²	47	88%	0.877	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-23	174.4	-69.3	-32.9	0	0	0	113.5
478	E	74.7	Confident	79.6	Confident	114 Å²	114	47 Å²	47	53%	0.533	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	0.5	-179.6	-60.9	-170.4	-175.6	0	0	114.4	D476 K480 R548	D476-E478 PolarHBondContact O-N 3.24Å; D476-E478 VanDerWaalsContact O-N 3.07Å; D476-E478 PolarHBondContact OD1-N 3.33Å; E478-K480 VanDerWaalsContact C-N 3.32Å; E478-K480 HydrophobicContact CB-CD 4.29Å; E478-K480 HydrophobicContact CB-CG 4.33Å; E478-K480 PolarHBondContact O-N 2.83Å; E478-K480 WeakPolarHBondContact OE2-CE 3.49Å; E478-K480 IonicContact OE2-NZ 2.55Å; E478-K480 PolarHBondContact OE2-NZ 2.76Å; E478-R548 IonicContact OE2-NH2 2.86Å
479	N	77.7	Confident	80	Confident	113 Å²	113	45.3 Å²	45.3	60%	0.604	23%	0.231	S	C	*	.			trans	51.4	45.4	-173.7	-69.5	-51.9	0	0	0	113.5	P472 D476	P472-N479 HydrophobicContact CB-CB 4.12Å; P472-N479 HydrophobicContact CG-CB 4.36Å; D476-N479 PolarHBondContact O-N 2.98Å; D476-N479 VanDerWaalsContact O-N 3.08Å
480	K	81.8	Confident	80.4	Confident	53 Å²	53	46.1 Å²	46.1	23%	0.23	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	151.4	173	-65.8	175.4	-178.3	161.1	0	110.9	P472 D473 D476 E478 R548 L549	P472-K480 WeakPolarHBondContact CA-O 3.38Å; D473-K480 PolarHBondContact N-O 3.12Å; D476-K480 WeakPolarHBondContact OD2-CA 3.42Å; D476-K480 WeakPolarHBondContact OD2-CB 3.38Å; D476-K480 PolarHBondContact OD2-N 2.99Å; E478-K480 VanDerWaalsContact C-N 3.32Å; E478-K480 HydrophobicContact CB-CD 4.29Å; E478-K480 HydrophobicContact CB-CG 4.33Å; E478-K480 PolarHBondContact O-N 2.83Å; E478-K480 WeakPolarHBondContact OE2-CE 3.49Å; E478-K480 IonicContact OE2-NZ 2.55Å; E478-K480 PolarHBondContact OE2-NZ 2.76Å; K480-R548 HydrophobicContact CB-CB 4.34Å; K480-R548 HydrophobicContact CD-CB 4.24Å; K480-L549 CarbonylContact C-O 3.15Å; K480-L549 WeakPolarHBondContact CA-O 3.32Å; K480-L549 WeakPolarHBondContact CB-O 3.42Å
481	G	81.6	Confident	80.9	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	141.4	170.5	0	0	0	0	0	111.1	D473 L549	D473-G481 WeakPolarHBondContact OD1-CA 3.47Å; G481-L549 PolarHBondContact N-O 3.09Å; G481-L549 PolarHBondContact O-N 2.89Å
482	T	81.6	Confident	81.7	Confident	14 Å²	14	42 Å²	42	9%	0.086	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	137.9	173.6	-62.5	0	0	0	0	110.8	W434 D473 I484 R546 H547 R579	W434-T482 HydrophobicContact CH2-CG2 3.63Å; W434-T482 HydrophobicContact CZ3-CG2 4.29Å; D473-T482 VanDerWaalsContact CG-N 3.31Å; D473-T482 PolarHBondContact OD1-N 2.89Å; D473-T482 WeakPolarHBondContact OD2-CB 3.35Å; D473-T482 PolarHBondContact OD2-N 2.9Å; D473-T482 PolarHBondContact OD2-OG1 2.85Å; T482-I484 HydrophobicContact CG2-CD1 4.42Å; T482-I484 HydrophobicContact CG2-CG1 4.14Å; T482-R546 HydrophobicContact CG2-CG 3.91Å; T482-H547 WeakPolarHBondContact CA-O 3.28Å; T482-R579 PolarHBondContact O-NH1 3.46Å; T482-R579 PolarHBondContact O-NH2 2.99Å
483	L	85.5	Confident	82.3	Confident	0 Å²	0	41 Å²	41	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	124.4	175.7	176.2	78.8	0	0	0	108	V467 V485 I509 H547 L549 I556 I573	V467-L483 HydrophobicContact CG1-CD1 4.43Å; V467-L483 HydrophobicContact CG1-CD2 4.25Å; V467-L483 HydrophobicContact CG2-CD1 3.91Å; L483-V485 HydrophobicContact CD1-CG2 4.35Å; L483-V485 HydrophobicContact CD2-CG2 3.82Å; L483-V485 HydrophobicContact CG-CG2 3.8Å; L483-I509 HydrophobicContact CD2-CD1 3.91Å; L483-H547 PolarHBondContact N-O 3.34Å; L483-H547 PolarHBondContact O-N 3.5Å; L483-L549 HydrophobicContact CB-CD1 4.34Å; L483-L549 HydrophobicContact CD2-CD1 3.67Å; L483-I556 HydrophobicContact CD2-CD1 4.47Å; L483-I573 HydrophobicContact CD1-CG2 3.45Å; L483-I573 VanDerWaalsContact CD1-CG2 3.45Å
484	I	87.5	Confident	82.9	Confident	0 Å²	0	45 Å²	45	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	126.8	175.7	-55.5	170.5	0	0	0	108.1	I282 M425 W434 T482 G545 R546 I573 F574	I282-I484 HydrophobicContact CD1-CG2 3.64Å; M425-I484 HydrophobicContact CE-CD1 3.19Å; M425-I484 HydrophobicContact CE-CG1 4.41Å; M425-I484 HydrophobicContact CE-CG2 4.21Å; W434-I484 HydrophobicContact CH2-CD1 3.77Å; W434-I484 HydrophobicContact CH2-CG1 4.43Å; W434-I484 HydrophobicContact CZ3-CD1 3.8Å; W434-I484 HydrophobicContact CZ3-CG1 4.24Å; T482-I484 HydrophobicContact CG2-CD1 4.42Å; T482-I484 HydrophobicContact CG2-CG1 4.14Å; I484-G545 WeakPolarHBondContact CA-O 3.39Å; I484-R546 HydrophobicContact CD1-CB 4.5Å; I484-R546 HydrophobicContact CD1-CG 4.27Å; I484-R546 HydrophobicContact CG1-CB 4.01Å; I484-R546 HydrophobicContact CG1-CG 3.93Å; I484-I573 WeakPolarHBondContact O-CA 3.21Å; I484-F574 HydrophobicContact CB-CB 4.15Å; I484-F574 PolarHBondContact N-O 2.86Å; I484-F574 PolarHBondContact O-N 2.87Å
485	V	91.6	Very high	83.8	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	116.1	-174.2	-176.7	0	0	0	0	108.8	L483 Y507 I509 C544 G545 I556 L571 R572	L483-V485 HydrophobicContact CD1-CG2 4.35Å; L483-V485 HydrophobicContact CD2-CG2 3.82Å; L483-V485 HydrophobicContact CG-CG2 3.8Å; V485-Y507 HydrophobicContact CB-CE1 4.02Å; V485-Y507 HydrophobicContact CB-CE2 3.92Å; V485-Y507 HydrophobicContact CG1-CD1 3.99Å; V485-Y507 HydrophobicContact CG1-CD2 4.2Å; V485-Y507 HydrophobicContact CG1-CE1 3.75Å; V485-Y507 HydrophobicContact CG1-CE2 3.99Å; V485-Y507 HydrophobicContact CG1-CG 4.21Å; V485-Y507 WeakPolarHBondContact O-CE1 3.4Å; V485-Y507 PolarHBondContact O-OH 2.89Å; V485-I509 HydrophobicContact CG2-CD1 4.19Å; V485-C544 CarbonylContact O-C 3.58Å; V485-C544 WeakPolarHBondContact O-CA 3.46Å; V485-G545 PolarHBondContact N-O 3.45Å; V485-G545 PolarHBondContact O-N 2.58Å; V485-I556 HydrophobicContact CG1-CD1 4.32Å; V485-I556 HydrophobicContact CG1-CG2 4.18Å; V485-I556 HydrophobicContact CG2-CD1 3.84Å; V485-L571 HydrophobicContact CG1-CD1 3.56Å; V485-R572 WeakPolarHBondContact CA-O 3.47Å
486	G	93	Very high	84.8	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	119.8	171.9	0	0	0	0	0	110.6	E542 V543 L571 R572	G486-E542 WeakPolarHBondContact CA-OE1 3.35Å; G486-V543 WeakPolarHBondContact CA-O 3.33Å; G486-L571 CarbonylContact O-C 3.53Å; G486-L571 WeakPolarHBondContact O-CA 3.25Å; G486-R572 PolarHBondContact N-O 2.98Å; G486-R572 PolarHBondContact O-N 2.77Å
487	L	95.5	Very high	85.7	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	111	175.1	174	62.8	0	0	0	109.5	W443 I505 G506 Y507 E542 V543 P558 F569 L571	W443-L487 HydrophobicContact CH2-CD1 4.23Å; W443-L487 HydrophobicContact CH2-CD2 4.17Å; W443-L487 HydrophobicContact CH2-CG 4.41Å; W443-L487 HydrophobicContact CZ2-CD1 4.28Å; W443-L487 HydrophobicContact CZ2-CD2 4.09Å; L487-I505 HydrophobicContact CD2-CB 4.38Å; L487-I505 HydrophobicContact CG-CD1 4.33Å; L487-I505 WeakPolarHBondContact O-CD1 3.38Å; L487-G506 WeakPolarHBondContact CD2-O 3.46Å; L487-Y507 HydrophobicContact CB-CD1 3.96Å; L487-Y507 HydrophobicContact CD2-CD1 4.44Å; L487-E542 CarbonylContact O-C 3.53Å; L487-E542 VanDerWaalsContact O-CA 3.27Å; L487-E542 WeakPolarHBondContact O-CA 2.98Å; L487-V543 PolarHBondContact N-O 3.17Å; L487-V543 PolarHBondContact O-N 2.69Å; L487-P558 HydrophobicContact CD1-CB 3.61Å; L487-P558 HydrophobicContact CD2-CB 3.74Å; L487-P558 HydrophobicContact CG-CB 4.3Å; L487-F569 HydrophobicContact CD1-CB 3.99Å; L487-F569 HydrophobicContact CD1-CD2 3.59Å; L487-F569 HydrophobicContact CD1-CE2 4.33Å; L487-F569 HydrophobicContact CD1-CG 3.93Å; L487-L571 HydrophobicContact CB-CD1 4.3Å; L487-L571 HydrophobicContact CD1-CD1 4.32Å
488	M	95.1	Very high	86.4	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	126	-175.5	-175.6	-179.9	-66.9	0	0	111.9	W215 Y217 E276 R541 E542 F569 M570	W215-M488 HydrophobicContact CH2-CE 3.87Å; W215-M488 HydrophobicContact CH2-SD 4.03Å; W215-M488 HydrophobicContact CZ3-CE 3.8Å; W215-M488 HydrophobicContact CZ3-SD 3.89Å; Y217-M488 HydrophobicContact CD1-CG 4.35Å; Y217-M488 HydrophobicContact CD1-SD 3.69Å; Y217-M488 HydrophobicContact CE1-CG 4.46Å; Y217-M488 HydrophobicContact CE1-SD 4.02Å; E276-M488 HydrophobicContact CB-CE 4.49Å; E276-M488 HydrophobicContact CG-CE 4.29Å; E276-M488 WeakPolarHBondContact OE2-CE 3.3Å; M488-R541 CarbonylContact C-O 3.49Å; M488-R541 VanDerWaalsContact CA-O 3.29Å; M488-R541 WeakPolarHBondContact CA-O 3.45Å; M488-R541 HydrophobicContact CG-CG 4.29Å; M488-E542 HydrophobicContact CB-CB 3.97Å; M488-E542 HydrophobicContact CB-CG 3.96Å; M488-E542 HydrophobicContact CE-CB 3.95Å; M488-E542 VanDerWaalsContact CE-CD 3.5Å; M488-E542 HydrophobicContact CE-CG 4.25Å; M488-E542 WeakPolarHBondContact CE-OE2 3.46Å; M488-E542 HydrophobicContact CG-CB 4.12Å; M488-F569 CarbonylContact O-C 3.58Å; M488-F569 WeakPolarHBondContact O-CA 3.46Å; M488-F569 WeakPolarHBondContact O-CB 3.42Å; M488-M570 HydrophobicContact CB-CB 4.47Å; M488-M570 HydrophobicContact CB-CE 4.02Å; M488-M570 HydrophobicContact CE-CE 4.17Å; M488-M570 HydrophobicContact CG-CE 4.24Å; M488-M570 PolarHBondContact N-O 2.96Å; M488-M570 PolarHBondContact O-N 2.98Å; M488-M570 HydrophobicContact SD-CE 3.45Å; M488-M570 WeakPolarHBondContact SD-CE 3.48Å
489	Q	95.1	Very high	86.8	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	136.1	172	60.2	-175.3	-56.1	0	0	111.6	R492 L502 L503 I505 L540 R541	Q489-R492 HydrophobicContact CB-CG 4.33Å; Q489-R492 HydrophobicContact CG-CG 3.9Å; Q489-L502 HydrophobicContact CG-CD2 4Å; Q489-L503 PolarHBondContact NE2-O 2.8Å; Q489-I505 HydrophobicContact CB-CD1 4.24Å; Q489-I505 HydrophobicContact CG-CD1 4.14Å; Q489-L540 PolarHBondContact NE2-O 3.45Å; Q489-R541 WeakPolarHBondContact CG-O 3.46Å; Q489-R541 PolarHBondContact N-O 2.96Å
490	K	92.4	Very high	87.1	Confident	17 Å²	17	36.5 Å²	36.5	7%	0.074	19%	0.185	C	C	.	.			trans	-93.8	149.3	-171.4	-55.4	-174.8	177	-176	0	113.3	Y217 E440 R492 D568 F569	Y217-K490 HydrophobicContact CD1-CB 4.04Å; Y217-K490 HydrophobicContact CD1-CD 4.49Å; Y217-K490 HydrophobicContact CD1-CG 3.71Å; Y217-K490 HydrophobicContact CD2-CB 4.25Å; Y217-K490 HydrophobicContact CD2-CG 4.36Å; Y217-K490 HydrophobicContact CE1-CB 4.09Å; Y217-K490 HydrophobicContact CE1-CG 4.23Å; Y217-K490 HydrophobicContact CE2-CB 4.33Å; Y217-K490 HydrophobicContact CG-CB 4.15Å; Y217-K490 HydrophobicContact CG-CD 4.11Å; Y217-K490 HydrophobicContact CG-CG 3.8Å; E440-K490 IonicContact OE1-NZ 2.85Å; E440-K490 PolarHBondContact OE1-NZ 2.76Å; E440-K490 IonicContact OE2-NZ 2.73Å; E440-K490 PolarHBondContact OE2-NZ 3.16Å; K490-R492 PolarHBondContact O-N 2.79Å; K490-D568 HydrophobicContact CB-CB 4.12Å; K490-D568 HydrophobicContact CD-CB 4.18Å; K490-D568 HydrophobicContact CG-CB 4.37Å; K490-D568 PolarHBondContact N-O 3.39Å; K490-F569 WeakPolarHBondContact CE-O 3.13Å
491	N	86.8	Confident	87.3	Confident	61 Å²	61	38.2 Å²	38.2	33%	0.326	20%	0.197	S	C	.	.	S	Bend	trans	59.4	10.4	165.1	-62.5	-52.1	0	0	0	117.5	Y217 R493 K494 M495	Y217-N491 WeakPolarHBondContact CE2-OD1 3.11Å; Y217-N491 PolarHBondContact OH-N 3.25Å; N491-R493 PolarHBondContact O-N 2.86Å; N491-K494 PolarHBondContact O-N 3.17Å; N491-M495 HydrophobicContact CB-CE 3.67Å; N491-M495 PolarHBondContact O-N 3.21Å
492	R	88.7	Confident	87.8	Confident	26 Å²	26	39.7 Å²	39.7	10%	0.098	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-35.9	-172.3	-58	-59.7	-67	-169	-6	113.9	Q489 K490 K494 M495 R496 D501 L502 L503 E566	Q489-R492 HydrophobicContact CB-CG 4.33Å; Q489-R492 HydrophobicContact CG-CG 3.9Å; K490-R492 PolarHBondContact O-N 2.79Å; R492-K494 VanDerWaalsContact C-N 3.34Å; R492-K494 PolarHBondContact O-N 3.43Å; R492-M495 PolarHBondContact O-N 2.89Å; R492-M495 VanDerWaalsContact O-N 3.13Å; R492-R496 PolarHBondContact O-N 2.87Å; R492-D501 VanDerWaalsContact CZ-O 3.26Å; R492-D501 PolarHBondContact NE-O 2.97Å; R492-D501 PolarHBondContact NH2-O 2.89Å; R492-L502 HydrophobicContact CB-CD2 3.88Å; R492-L502 HydrophobicContact CG-CD2 4.11Å; R492-L503 VanDerWaalsContact NH2-CD2 3.34Å; R492-E566 PolarHBondContact NH1-O 2.93Å
493	R	85.6	Confident	88.5	Confident	16 Å²	16	39.9 Å²	39.9	6%	0.06	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-43.6	176.6	-74	-173	175.9	-82.2	-7.2	112.4	W177 C260 A265 G268 E273 N491 M495 R496	W177-R493 VanDerWaalsContact CZ2-CZ 3.41Å; C260-R493 HydrophobicContact CB-CB 4.47Å; A265-R493 PolarHBondContact O-NH1 2.57Å; G268-R493 PolarHBondContact O-NH1 3.1Å; G268-R493 PolarHBondContact O-NH2 2.81Å; E273-R493 IonicContact OE1-CZ 2.76Å; E273-R493 IonicContact OE1-NH2 3.6Å; E273-R493 PolarHBondContact OE1-NH2 3.09Å; E273-R493 IonicContact OE2-CZ 3.81Å; E273-R493 VanDerWaalsContact OE2-CZ 3.23Å; E273-R493 IonicContact OE2-NE 2.53Å; E273-R493 PolarHBondContact OE2-NE 3.15Å; E273-R493 IonicContact OE2-NH2 3.93Å; E273-R493 PolarHBondContact OE2-NH2 3.03Å; N491-R493 PolarHBondContact O-N 2.86Å; R493-M495 PolarHBondContact O-N 3.2Å; R493-R496 VanDerWaalsContact O-CB 3.29Å; R493-R496 WeakPolarHBondContact O-CB 3.38Å; R493-R496 WeakPolarHBondContact O-CG 3.49Å; R493-R496 PolarHBondContact O-N 2.77Å; R493-R496 VanDerWaalsContact O-N 3.1Å
494	K	83.7	Confident	89	Confident	99 Å²	99	42.2 Å²	42.2	43%	0.43	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-64.3	-30.4	177.8	-169.3	172.6	-177.3	171.6	0	112.5	C260 N491 R492 R496 R497	C260-K494 VanDerWaalsContact O-CA 3.32Å; C260-K494 WeakPolarHBondContact O-CA 3.1Å; N491-K494 PolarHBondContact O-N 3.17Å; R492-K494 VanDerWaalsContact C-N 3.34Å; R492-K494 PolarHBondContact O-N 3.43Å; K494-R496 VanDerWaalsContact C-N 3.31Å; K494-R497 WeakPolarHBondContact O-CG 3.45Å
495	M	85.5	Confident	89.5	Confident	47 Å²	47	42.2 Å²	42.2	23%	0.232	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-80.2	-5.2	177.2	-58.3	-177.8	-133.8	0	0	113.6	N491 R492 R493 R497 E498 G499 A500	N491-M495 HydrophobicContact CB-CE 3.67Å; N491-M495 PolarHBondContact O-N 3.21Å; R492-M495 PolarHBondContact O-N 2.89Å; R492-M495 VanDerWaalsContact O-N 3.13Å; R493-M495 PolarHBondContact O-N 3.2Å; M495-R497 PolarHBondContact O-N 2.85Å; M495-E498 CarbonylContact O-C 3.57Å; M495-E498 WeakPolarHBondContact O-CA 3.2Å; M495-E498 WeakPolarHBondContact O-CB 3.43Å; M495-E498 PolarHBondContact O-N 3.32Å; M495-G499 PolarHBondContact O-N 2.65Å; M495-A500 HydrophobicContact CB-CB 3.66Å; M495-A500 PolarHBondContact O-N 3.44Å
496	R	85.5	Confident	89.8	Confident	50 Å²	50	42.2 Å²	42.2	19%	0.189	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-58.6	-33.5	175.9	-76.7	-177	167.8	-177.5	-3.6	113.2	F136 A265 K267 R492 R493 K494 E498 G499 A500 D501	F136-R496 HydrophobicContact CE1-CB 4.24Å; F136-R496 HydrophobicContact CE2-CB 4.37Å; F136-R496 HydrophobicContact CZ-CB 3.79Å; A265-R496 PolarHBondContact O-NH1 2.84Å; K267-R496 PolarHBondContact O-NH1 3.41Å; R492-R496 PolarHBondContact O-N 2.87Å; R493-R496 VanDerWaalsContact O-CB 3.29Å; R493-R496 WeakPolarHBondContact O-CB 3.38Å; R493-R496 WeakPolarHBondContact O-CG 3.49Å; R493-R496 PolarHBondContact O-N 2.77Å; R493-R496 VanDerWaalsContact O-N 3.1Å; K494-R496 VanDerWaalsContact C-N 3.31Å; R496-E498 PolarHBondContact O-N 2.8Å; R496-G499 PolarHBondContact O-N 3.4Å; R496-A500 WeakPolarHBondContact CA-O 3.33Å; R496-A500 WeakPolarHBondContact CG-O 3.4Å; R496-D501 IonicContact NE-OD1 3.25Å; R496-D501 IonicContact NH2-OD1 2.89Å
497	R	82.6	Confident	90.1	Very high	153 Å²	153	42.2 Å²	42.2	58%	0.577	22%	0.219	S	C	*	.	G	3₁₀ helix	trans	-60.9	-23	173.4	77.9	-170.7	-175.9	171.7	0.4	113.4	F136 K494 M495	F136-R497 HydrophobicContact CB-CB 3.8Å; F136-R497 HydrophobicContact CD1-CB 4.5Å; F136-R497 HydrophobicContact CD2-CB 4.11Å; F136-R497 HydrophobicContact CG-CB 3.89Å; K494-R497 WeakPolarHBondContact O-CG 3.45Å; M495-R497 PolarHBondContact O-N 2.85Å
498	E	84	Confident	90.2	Very high	131 Å²	131	42.7 Å²	42.7	61%	0.612	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	-98	4	177.6	-69.9	155	-141.4	0	0	111.5	M495 R496	M495-E498 CarbonylContact O-C 3.57Å; M495-E498 WeakPolarHBondContact O-CA 3.2Å; M495-E498 WeakPolarHBondContact O-CB 3.43Å; M495-E498 PolarHBondContact O-N 3.32Å; R496-E498 PolarHBondContact O-N 2.8Å
499	G	82	Confident	90.2	Very high	72 Å²	72	42.7 Å²	42.7	74%	0.742	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.3	7.9	178.4	0	0	0	0	0	114.9	M495 R496	M495-G499 PolarHBondContact O-N 2.65Å; R496-G499 PolarHBondContact O-N 3.4Å
500	A	84.1	Confident	90.3	Very high	28 Å²	28	42.9 Å²	42.9	23%	0.231	22%	0.224	C	C	.	.			trans	-81.5	146.8	176.2	0	0	0	0	0	111.6	M495 R496	M495-A500 HydrophobicContact CB-CB 3.66Å; M495-A500 PolarHBondContact O-N 3.44Å; R496-A500 WeakPolarHBondContact CA-O 3.33Å; R496-A500 WeakPolarHBondContact CG-O 3.4Å
501	D	86.6	Confident	90.4	Very high	89 Å²	89	46.4 Å²	46.4	48%	0.476	24%	0.239	S	C	.	.			trans	-126.9	178.6	172.6	-156.2	2.2	0	0	0	111	R492 R496 L503	R492-D501 VanDerWaalsContact CZ-O 3.26Å; R492-D501 PolarHBondContact NE-O 2.97Å; R492-D501 PolarHBondContact NH2-O 2.89Å; R496-D501 IonicContact NE-OD1 3.25Å; R496-D501 IonicContact NH2-OD1 2.89Å; D501-L503 PolarHBondContact O-N 2.73Å
502	L	92.6	Very high	90.6	Very high	30 Å²	30	44 Å²	44	16%	0.157	23%	0.226	C	C	.	.			trans	-60	127.2	173.4	-67.9	173	0	0	0	110.7	Q489 R492 N539 R541	Q489-L502 HydrophobicContact CG-CD2 4Å; R492-L502 HydrophobicContact CB-CD2 3.88Å; R492-L502 HydrophobicContact CG-CD2 4.11Å; L502-N539 HydrophobicContact CB-CB 4.47Å; L502-N539 WeakPolarHBondContact CD1-O 3.4Å; L502-R541 HydrophobicContact CD2-CB 4.15Å; L502-R541 HydrophobicContact CD2-CG 4.49Å
503	L	95.1	Very high	90.6	Very high	19 Å²	19	45.9 Å²	45.9	10%	0.099	24%	0.242	C	C	.	.			trans	-74.3	153.4	172.8	-60.5	179.6	0	0	0	109.9	Q489 R492 D501 I505 N539 T560 E565 A567	Q489-L503 PolarHBondContact NE2-O 2.8Å; R492-L503 VanDerWaalsContact NH2-CD2 3.34Å; D501-L503 PolarHBondContact O-N 2.73Å; L503-I505 HydrophobicContact CB-CG2 4.06Å; L503-I505 PolarHBondContact O-N 2.71Å; L503-N539 WeakPolarHBondContact O-CA 3.46Å; L503-T560 HydrophobicContact CB-CG2 4.37Å; L503-T560 HydrophobicContact CD1-CG2 3.75Å; L503-E565 HydrophobicContact CD1-CB 3.95Å; L503-E565 HydrophobicContact CD2-CB 4.29Å; L503-E565 HydrophobicContact CD2-CG 4.46Å; L503-A567 HydrophobicContact CD1-CB 3.65Å
504	T	97.1	Very high	90.3	Very high	48 Å²	48	53.6 Å²	53.6	29%	0.294	28%	0.279	S	S	.	.			trans	-76.9	110.1	169.6	-57.1	0	0	0	0	108.2	F537 T560 F561	T504-F537 VanDerWaalsContact CG2-C 3.5Å; T504-F537 HydrophobicContact CG2-CB 3.92Å; T504-T560 CarbonylContact O-C 3.57Å; T504-T560 WeakPolarHBondContact O-CA 3.39Å; T504-F561 HydrophobicContact CG2-CB 3.72Å; T504-F561 HydrophobicContact CG2-CG 4.3Å; T504-F561 PolarHBondContact O-N 2.96Å
505	I	98	Very high	90	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	158	-173.9	59.8	170.9	0	0	0	111.6	W443 L487 Q489 L503 F537 I538 V543 T560	W443-I505 HydrophobicContact CH2-CB 4.23Å; W443-I505 HydrophobicContact CH2-CG2 3.67Å; W443-I505 HydrophobicContact CZ3-CG2 3.83Å; L487-I505 HydrophobicContact CD2-CB 4.38Å; L487-I505 HydrophobicContact CG-CD1 4.33Å; L487-I505 WeakPolarHBondContact O-CD1 3.38Å; Q489-I505 HydrophobicContact CB-CD1 4.24Å; Q489-I505 HydrophobicContact CG-CD1 4.14Å; L503-I505 HydrophobicContact CB-CG2 4.06Å; L503-I505 PolarHBondContact O-N 2.71Å; I505-F537 WeakPolarHBondContact O-CA 3.45Å; I505-I538 PolarHBondContact N-O 3.49Å; I505-I538 PolarHBondContact O-N 3.29Å; I505-I538 VanDerWaalsContact O-N 3.12Å; I505-V543 HydrophobicContact CD1-CG2 4.32Å; I505-V543 HydrophobicContact CG1-CG2 3.88Å; I505-T560 HydrophobicContact CG2-CG2 4.28Å
506	G	97.7	Very high	89.8	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.8	176.4	175.8	0	0	0	0	0	111.7	L487 S534 S559	L487-G506 WeakPolarHBondContact CD2-O 3.46Å; G506-S534 WeakPolarHBondContact CA-OG 3.3Å; G506-S559 PolarHBondContact N-O 3.49Å; G506-S559 PolarHBondContact O-N 2.62Å
507	Y	97.7	Very high	89.3	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	159	178.7	60.7	-100.3	0	0	0	112	V485 L487 I509 R533 S534 G545 H547 I556 I557	V485-Y507 HydrophobicContact CB-CE1 4.02Å; V485-Y507 HydrophobicContact CB-CE2 3.92Å; V485-Y507 HydrophobicContact CG1-CD1 3.99Å; V485-Y507 HydrophobicContact CG1-CD2 4.2Å; V485-Y507 HydrophobicContact CG1-CE1 3.75Å; V485-Y507 HydrophobicContact CG1-CE2 3.99Å; V485-Y507 HydrophobicContact CG1-CG 4.21Å; V485-Y507 WeakPolarHBondContact O-CE1 3.4Å; V485-Y507 PolarHBondContact O-OH 2.89Å; L487-Y507 HydrophobicContact CB-CD1 3.96Å; L487-Y507 HydrophobicContact CD2-CD1 4.44Å; Y507-I509 HydrophobicContact CD2-CD1 4.46Å; Y507-I509 HydrophobicContact CD2-CG1 4.11Å; Y507-I509 HydrophobicContact CE2-CD1 4.14Å; Y507-I509 HydrophobicContact CE2-CG1 4.26Å; Y507-R533 WeakPolarHBondContact O-CA 3.47Å; Y507-S534 PolarHBondContact N-OG 2.65Å; Y507-S534 PolarHBondContact O-N 3.28Å; Y507-G545 VanDerWaalsContact OH-CA 3.25Å; Y507-G545 WeakPolarHBondContact OH-CA 3.43Å; Y507-G545 PolarHBondContact OH-N 2.89Å; Y507-G545 VanDerWaalsContact OH-N 3.11Å; Y507-G545 PolarHBondContact OH-O 2.86Å; Y507-H547 AromaticContact CE2-NE2 3.47Å; Y507-H547 WeakPolarHBondContact CE2-NE2 3.44Å; Y507-H547 AromaticContact CZ-NE2 3.62Å; Y507-H547 PolarHBondContact OH-NE2 3.17Å; Y507-I556 HydrophobicContact CD2-CG2 4.44Å; Y507-I556 HydrophobicContact CG-CG2 4.49Å; Y507-I557 VanDerWaalsContact CA-O 3.29Å; Y507-I557 WeakPolarHBondContact CA-O 3.4Å
508	A	97.5	Very high	89	Confident	10 Å²	10	57.8 Å²	57.8	8%	0.083	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	145.3	172.4	0	0	0	0	0	110.5	F459 Y510 I557	F459-A508 HydrophobicContact CZ-CB 4.33Å; A508-Y510 HydrophobicContact CB-CD2 4.44Å; A508-Y510 HydrophobicContact CB-CE2 3.7Å; A508-I557 PolarHBondContact N-O 3.15Å; A508-I557 VanDerWaalsContact N-O 3.14Å; A508-I557 PolarHBondContact O-N 3.46Å
509	I	96.4	Very high	89	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	128.3	-179.3	-49.4	-174.6	0	0	0	108.6	L483 V485 Y507 S530 V531 A532 L549 Y554 A555 I556	L483-I509 HydrophobicContact CD2-CD1 3.91Å; V485-I509 HydrophobicContact CG2-CD1 4.19Å; Y507-I509 HydrophobicContact CD2-CD1 4.46Å; Y507-I509 HydrophobicContact CD2-CG1 4.11Å; Y507-I509 HydrophobicContact CE2-CD1 4.14Å; Y507-I509 HydrophobicContact CE2-CG1 4.26Å; I509-S530 CarbonylContact O-C 3.53Å; I509-S530 VanDerWaalsContact O-CA 3.29Å; I509-S530 WeakPolarHBondContact O-CA 3.47Å; I509-S530 WeakPolarHBondContact O-CB 3.29Å; I509-V531 HydrophobicContact CB-CG2 4.29Å; I509-V531 HydrophobicContact CG2-CG2 4.01Å; I509-V531 WeakPolarHBondContact O-CG2 3.35Å; I509-V531 PolarHBondContact O-N 3.11Å; I509-A532 HydrophobicContact CB-CB 4.09Å; I509-A532 HydrophobicContact CD1-CB 4.07Å; I509-A532 HydrophobicContact CG1-CB 4.29Å; I509-A532 PolarHBondContact N-O 3.02Å; I509-A532 PolarHBondContact O-N 3.42Å; I509-L549 HydrophobicContact CG2-CD1 4.26Å; I509-Y554 HydrophobicContact CG2-CD1 4.1Å; I509-Y554 HydrophobicContact CG2-CG 4.28Å; I509-A555 CarbonylContact C-O 3.5Å; I509-A555 WeakPolarHBondContact CA-O 3.34Å; I509-I556 HydrophobicContact CG1-CG1 4.27Å
510	Y	96.2	Very high	89.5	Confident	5 Å²	5	49.7 Å²	49.7	2%	0.02	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	140.4	179	-68	-96.7	0	0	0	110.3	R453 F459 A508 F524 F525 Y554 A555 I557	R453-Y510 WeakPolarHBondContact CD-OH 3.5Å; F459-Y510 HydrophobicContact CE1-CE2 4Å; F459-Y510 HydrophobicContact CZ-CE2 4.17Å; A508-Y510 HydrophobicContact CB-CD2 4.44Å; A508-Y510 HydrophobicContact CB-CE2 3.7Å; Y510-F524 HydrophobicContact CD1-CE1 4.11Å; Y510-F524 HydrophobicContact CG-CE1 4.17Å; Y510-F525 HydrophobicContact CD1-CD1 4.31Å; Y510-F525 HydrophobicContact CD2-CD1 4.21Å; Y510-F525 AromaticContact CD2-CE1 3.9Å; Y510-F525 HydrophobicContact CD2-CE1 3.9Å; Y510-F525 AromaticContact CE1-CD1 3.93Å; Y510-F525 HydrophobicContact CE1-CD1 3.93Å; Y510-F525 AromaticContact CE2-CD1 3.83Å; Y510-F525 HydrophobicContact CE2-CD1 3.83Å; Y510-F525 AromaticContact CE2-CE1 3.81Å; Y510-F525 HydrophobicContact CE2-CE1 3.81Å; Y510-F525 HydrophobicContact CG-CD1 4.44Å; Y510-F525 HydrophobicContact CG-CE1 4.31Å; Y510-F525 AromaticContact CZ-CD1 3.67Å; Y510-Y554 CarbonylContact O-C 3.46Å; Y510-Y554 WeakPolarHBondContact O-CA 3.4Å; Y510-Y554 WeakPolarHBondContact O-CB 3.42Å; Y510-A555 PolarHBondContact N-O 3.07Å; Y510-A555 PolarHBondContact O-N 2.84Å; Y510-I557 HydrophobicContact CD2-CG1 4Å; Y510-I557 HydrophobicContact CE2-CG1 4.12Å
511	K	94.4	Very high	89.7	Confident	90 Å²	90	52 Å²	52	39%	0.391	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	132.8	171.4	-169.3	165.8	-172.6	162.3	0	109.5	V531 D550 Y554	K511-V531 HydrophobicContact CB-CG1 3.91Å; K511-D550 IonicContact NZ-OD2 3.99Å; K511-Y554 HydrophobicContact CB-CD1 4.01Å; K511-Y554 HydrophobicContact CB-CE1 3.8Å; K511-Y554 HydrophobicContact CD-CE1 4.17Å; K511-Y554 HydrophobicContact CG-CD1 4.33Å; K511-Y554 HydrophobicContact CG-CE1 3.86Å
512	L	92.1	Very high	89.9	Confident	12 Å²	12	51 Å²	51	6%	0.063	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-95.5	139.8	-179.9	-66.2	177.7	0	0	0	110.7	V466 Q516 L520 F524 R553 A555	V466-L512 HydrophobicContact CG1-CD1 4.08Å; V466-L512 HydrophobicContact CG2-CD1 4.02Å; L512-Q516 HydrophobicContact CD2-CG 4.29Å; L512-L520 HydrophobicContact CD2-CD1 3.93Å; L512-L520 HydrophobicContact CD2-CD2 3.8Å; L512-L520 HydrophobicContact CD2-CG 4.37Å; L512-F524 HydrophobicContact CD2-CZ 4.25Å; L512-R553 HydrophobicContact CB-CB 4.06Å; L512-R553 HydrophobicContact CD1-CB 4.36Å; L512-R553 PolarHBondContact N-O 3.07Å; L512-A555 HydrophobicContact CD1-CB 4.15Å; L512-A555 HydrophobicContact CD2-CB 3.9Å; L512-A555 HydrophobicContact CG-CB 4.13Å
513	P	89	Confident	89.9	Confident	64 Å²	64	56 Å²	56	42%	0.416	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-59.3	143.9	161.9	-18.7	30.3	0	0	0	110.5	Q515 Q516	P513-Q515 PolarHBondContact O-N 2.67Å; P513-Q515 VanDerWaalsContact O-N 3.09Å; P513-Q516 HydrophobicContact CB-CB 4.4Å; P513-Q516 HydrophobicContact CG-CB 4.45Å; P513-Q516 WeakPolarHBondContact O-CB 3.48Å; P513-Q516 PolarHBondContact O-N 2.76Å
514	E	78.9	Confident	89.8	Confident	179 Å²	179	56.1 Å²	56.1	84%	0.836	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-36.4	-177.3	-75	-177.4	169.3	0	0	113.3	R553	E514-R553 PolarHBondContact O-NH1 3.11Å
515	Q	77.7	Confident	89.7	Confident	179 Å²	179	53.9 Å²	53.9	84%	0.836	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-1.1	-177	-62.2	-179.5	-5.3	0	0	114.1	P513 Q517	P513-Q515 PolarHBondContact O-N 2.67Å; P513-Q515 VanDerWaalsContact O-N 3.09Å; Q515-Q517 PolarHBondContact O-N 2.85Å
516	Q	81.3	Confident	89.6	Confident	56 Å²	56	59.6 Å²	59.6	26%	0.262	29%	0.294	S	S	.	.			trans	-68.3	122.6	-177.9	-174.1	64.7	41.1	0	0	110.7	L512 P513 L520 R553	L512-Q516 HydrophobicContact CD2-CG 4.29Å; P513-Q516 HydrophobicContact CB-CB 4.4Å; P513-Q516 HydrophobicContact CG-CB 4.45Å; P513-Q516 WeakPolarHBondContact O-CB 3.48Å; P513-Q516 PolarHBondContact O-N 2.76Å; Q516-L520 HydrophobicContact CG-CD2 3.66Å; Q516-R553 PolarHBondContact O-NH1 3.43Å; Q516-R553 VanDerWaalsContact O-NH1 3.14Å; Q516-R553 PolarHBondContact O-NH2 2.97Å
517	Q	74.2	Confident	89.4	Confident	170 Å²	170	67.7 Å²	67.7	79%	0.794	33%	0.326	S	S	*	.			trans	-129.3	148.6	175.1	-66.3	-173.3	-10.8	0	0	109.6	Q515	Q515-Q517 PolarHBondContact O-N 2.85Å
518	G	77.1	Confident	89.3	Confident	32 Å²	32	70.9 Å²	70.9	33%	0.33	34%	0.343	S	S	.	.	S	Bend	trans	70.1	176.2	-176.9	0	0	0	0	0	114.3	L584	G518-L584 WeakPolarHBondContact O-CD1 3.4Å; G518-L584 WeakPolarHBondContact O-CD2 3.38Å; G518-L584 VanDerWaalsContact O-CG 3.27Å; G518-L584 WeakPolarHBondContact O-CG 3.46Å
519	T	84.5	Confident	89.2	Confident	33 Å²	33	74.5 Å²	74.5	20%	0.202	37%	0.373	C	S	.	.			trans	-57.4	139.6	-174.9	49.5	0	0	0	0	113	L584 E586	T519-L584 VanDerWaalsContact CG2-O 3.3Å; T519-L584 WeakPolarHBondContact CG2-O 3Å; T519-E586 HydrophobicContact CG2-CG 3.96Å; T519-E586 PolarHBondContact OG1-OE1 3.27Å
520	L	90.7	Very high	89.1	Confident	0 Å²	0	76.5 Å²	76.5	0%	0	39%	0.387	C	S	.	.			trans	-76.7	131.9	173.2	-55.5	171	0	0	0	109.7	Q464 L512 Q516 F524 F525 A555 L584	Q464-L520 PolarHBondContact NE2-O 3.07Å; Q464-L520 VanDerWaalsContact OE1-CB 3.26Å; Q464-L520 VanDerWaalsContact OE1-CG 3.32Å; L512-L520 HydrophobicContact CD2-CD1 3.93Å; L512-L520 HydrophobicContact CD2-CD2 3.8Å; L512-L520 HydrophobicContact CD2-CG 4.37Å; Q516-L520 HydrophobicContact CG-CD2 3.66Å; L520-F524 HydrophobicContact CB-CB 4.29Å; L520-F524 HydrophobicContact CB-CD1 3.99Å; L520-F524 HydrophobicContact CB-CG 4.18Å; L520-F524 HydrophobicContact CD1-CD1 3.8Å; L520-F524 HydrophobicContact CD1-CE1 3.66Å; L520-F524 HydrophobicContact CD1-CZ 4.26Å; L520-F524 HydrophobicContact CD2-CD1 4Å; L520-F524 HydrophobicContact CD2-CD2 3.92Å; L520-F524 HydrophobicContact CD2-CE1 4.16Å; L520-F524 HydrophobicContact CD2-CE2 4.07Å; L520-F524 HydrophobicContact CD2-CG 3.89Å; L520-F524 HydrophobicContact CD2-CZ 4.19Å; L520-F524 HydrophobicContact CG-CD1 4.15Å; L520-F524 HydrophobicContact CG-CE1 4.38Å; L520-F524 HydrophobicContact CG-CG 4.42Å; L520-F525 HydrophobicContact CB-CE2 3.66Å; L520-F525 HydrophobicContact CB-CZ 3.64Å; L520-F525 HydrophobicContact CD1-CE1 4.03Å; L520-F525 HydrophobicContact CD1-CZ 3.73Å; L520-F525 HydrophobicContact CG-CZ 4.35Å; L520-A555 HydrophobicContact CD1-CB 3.77Å; L520-L584 HydrophobicContact CG-CD2 4.07Å
521	D	88.9	Confident	89.1	Confident	76 Å²	76	79.7 Å²	79.7	41%	0.406	41%	0.407	S	S	.	.			trans	-92.2	175.8	-179.6	77.5	-5.2	0	0	0	112.8	K523 F524 F525	D521-K523 PolarHBondContact O-N 3.04Å; D521-K523 WeakPolarHBondContact OD1-CA 3.48Å; D521-K523 WeakPolarHBondContact OD1-CB 3.08Å; D521-K523 PolarHBondContact OD1-N 3.36Å; D521-F524 WeakPolarHBondContact O-CB 3.25Å; D521-F524 PolarHBondContact O-N 3.03Å; D521-F524 PolarHBondContact OD1-N 3.17Å; D521-F525 WeakPolarHBondContact O-CD2 3.46Å; D521-F525 PolarHBondContact O-N 2.91Å
522	M	90.9	Very high	89.1	Confident	69 Å²	69	76.1 Å²	76.1	34%	0.34	39%	0.394	S	S	.	.	H	α-helix	trans	-55.4	-36.4	176	-172.6	-173.8	67.8	0	0	113	L456 W460 F525 K526	L456-M522 HydrophobicContact CD2-CG 4.03Å; W460-M522 HydrophobicContact CG-CB 4.06Å; M522-F525 PolarHBondContact O-N 2.83Å; M522-K526 WeakPolarHBondContact O-CB 3.3Å; M522-K526 PolarHBondContact O-N 2.87Å
523	K	92	Very high	89.3	Confident	135 Å²	135	84 Å²	84	59%	0.587	42%	0.423	S	S	*	.	H	α-helix	trans	-66.2	-41.1	-178.3	-67.4	177.4	-177.9	171.7	0	110.3	D521 F525 K526 Y527	D521-K523 PolarHBondContact O-N 3.04Å; D521-K523 WeakPolarHBondContact OD1-CA 3.48Å; D521-K523 WeakPolarHBondContact OD1-CB 3.08Å; D521-K523 PolarHBondContact OD1-N 3.36Å; K523-F525 PolarHBondContact O-N 2.74Å; K523-K526 WeakPolarHBondContact O-CB 3.5Å; K523-K526 PolarHBondContact O-N 2.85Å; K523-Y527 HydrophobicContact CB-CD2 4.42Å; K523-Y527 HydrophobicContact CB-CE2 4.38Å; K523-Y527 WeakPolarHBondContact O-CD2 3.42Å; K523-Y527 PolarHBondContact O-N 3Å; K523-Y527 VanDerWaalsContact O-N 3.13Å
524	F	94.1	Very high	89.5	Confident	20 Å²	20	81.2 Å²	81.2	9%	0.088	41%	0.405	C	S	.	.	H	α-helix	trans	-53.7	-54.1	175.3	179.1	-90.6	0	0	0	111	Y510 L512 L520 D521 K526 Y527 N528	Y510-F524 HydrophobicContact CD1-CE1 4.11Å; Y510-F524 HydrophobicContact CG-CE1 4.17Å; L512-F524 HydrophobicContact CD2-CZ 4.25Å; L520-F524 HydrophobicContact CB-CB 4.29Å; L520-F524 HydrophobicContact CB-CD1 3.99Å; L520-F524 HydrophobicContact CB-CG 4.18Å; L520-F524 HydrophobicContact CD1-CD1 3.8Å; L520-F524 HydrophobicContact CD1-CE1 3.66Å; L520-F524 HydrophobicContact CD1-CZ 4.26Å; L520-F524 HydrophobicContact CD2-CD1 4Å; L520-F524 HydrophobicContact CD2-CD2 3.92Å; L520-F524 HydrophobicContact CD2-CE1 4.16Å; L520-F524 HydrophobicContact CD2-CE2 4.07Å; L520-F524 HydrophobicContact CD2-CG 3.89Å; L520-F524 HydrophobicContact CD2-CZ 4.19Å; L520-F524 HydrophobicContact CG-CD1 4.15Å; L520-F524 HydrophobicContact CG-CE1 4.38Å; L520-F524 HydrophobicContact CG-CG 4.42Å; D521-F524 WeakPolarHBondContact O-CB 3.25Å; D521-F524 PolarHBondContact O-N 3.03Å; D521-F524 PolarHBondContact OD1-N 3.17Å; F524-K526 VanDerWaalsContact C-N 3.25Å; F524-K526 PolarHBondContact O-N 2.99Å; F524-Y527 PolarHBondContact O-N 3.1Å; F524-N528 WeakPolarHBondContact CD2-ND2 3.3Å; F524-N528 HydrophobicContact CE1-CB 4.16Å; F524-N528 HydrophobicContact CE2-CB 4.37Å; F524-N528 HydrophobicContact CZ-CB 4.07Å; F524-N528 WeakPolarHBondContact O-CB 3.32Å; F524-N528 PolarHBondContact O-N 3.22Å; F524-N528 PolarHBondContact O-ND2 3.21Å
525	F	95.4	Very high	90	Very high	1 Å²	1	77.7 Å²	77.7	0%	0.004	40%	0.397	C	S	.	.	H	α-helix	trans	-69.3	-23.1	-177.9	-61.8	-68.2	0	0	0	113.5	R453 F459 W460 Y510 L520 D521 M522 K523 I557	R453-F525 PolarHBondContact NE-O 3Å; R453-F525 PolarHBondContact NH2-O 2.89Å; F459-F525 HydrophobicContact CD1-CB 4.22Å; F459-F525 AromaticContact CD1-CD1 3.95Å; F459-F525 HydrophobicContact CD1-CD1 3.95Å; F459-F525 HydrophobicContact CD1-CD2 4.14Å; F459-F525 HydrophobicContact CD1-CE1 4.33Å; F459-F525 AromaticContact CD1-CG 3.83Å; F459-F525 HydrophobicContact CD1-CG 3.83Å; F459-F525 AromaticContact CE1-CD1 3.57Å; F459-F525 HydrophobicContact CE1-CD1 3.57Å; F459-F525 HydrophobicContact CE1-CD2 4.49Å; F459-F525 AromaticContact CE1-CE1 3.74Å; F459-F525 HydrophobicContact CE1-CE1 3.74Å; F459-F525 AromaticContact CE1-CG 3.96Å; F459-F525 HydrophobicContact CE1-CG 3.96Å; F459-F525 HydrophobicContact CE1-CZ 4.27Å; W460-F525 HydrophobicContact CB-CD2 3.54Å; W460-F525 HydrophobicContact CB-CE2 3.56Å; Y510-F525 HydrophobicContact CD1-CD1 4.31Å; Y510-F525 HydrophobicContact CD2-CD1 4.21Å; Y510-F525 AromaticContact CD2-CE1 3.9Å; Y510-F525 HydrophobicContact CD2-CE1 3.9Å; Y510-F525 AromaticContact CE1-CD1 3.93Å; Y510-F525 HydrophobicContact CE1-CD1 3.93Å; Y510-F525 AromaticContact CE2-CD1 3.83Å; Y510-F525 HydrophobicContact CE2-CD1 3.83Å; Y510-F525 AromaticContact CE2-CE1 3.81Å; Y510-F525 HydrophobicContact CE2-CE1 3.81Å; Y510-F525 HydrophobicContact CG-CD1 4.44Å; Y510-F525 HydrophobicContact CG-CE1 4.31Å; Y510-F525 AromaticContact CZ-CD1 3.67Å; L520-F525 HydrophobicContact CB-CE2 3.66Å; L520-F525 HydrophobicContact CB-CZ 3.64Å; L520-F525 HydrophobicContact CD1-CE1 4.03Å; L520-F525 HydrophobicContact CD1-CZ 3.73Å; L520-F525 HydrophobicContact CG-CZ 4.35Å; D521-F525 WeakPolarHBondContact O-CD2 3.46Å; D521-F525 PolarHBondContact O-N 2.91Å; M522-F525 PolarHBondContact O-N 2.83Å; K523-F525 PolarHBondContact O-N 2.74Å; F525-I557 HydrophobicContact CE1-CD1 4.08Å; F525-I557 HydrophobicContact CE1-CG1 3.9Å; F525-I557 HydrophobicContact CZ-CD1 3.86Å; F525-I557 HydrophobicContact CZ-CG1 4.12Å
526	K	94.4	Very high	90.5	Very high	120 Å²	120	71.4 Å²	71.4	52%	0.522	38%	0.376	S	S	.	.	H	α-helix	trans	-70.4	-38.1	174.7	-175.1	173	-179.4	174.1	0	112.2	L456 M522 K523 F524	L456-K526 HydrophobicContact CD2-CB 4Å; M522-K526 WeakPolarHBondContact O-CB 3.3Å; M522-K526 PolarHBondContact O-N 2.87Å; K523-K526 WeakPolarHBondContact O-CB 3.5Å; K523-K526 PolarHBondContact O-N 2.85Å; F524-K526 VanDerWaalsContact C-N 3.25Å; F524-K526 PolarHBondContact O-N 2.99Å
527	Y	94.3	Very high	91.2	Very high	171 Å²	171	71.8 Å²	71.8	67%	0.671	38%	0.377	S	S	*	.	H	α-helix	trans	-103	-11.4	-173.5	-62.2	-62.8	0	0	0	114.7	K523 F524	K523-Y527 HydrophobicContact CB-CD2 4.42Å; K523-Y527 HydrophobicContact CB-CE2 4.38Å; K523-Y527 WeakPolarHBondContact O-CD2 3.42Å; K523-Y527 PolarHBondContact O-N 3Å; K523-Y527 VanDerWaalsContact O-N 3.13Å; F524-Y527 PolarHBondContact O-N 3.1Å
528	N	95	Very high	92.1	Very high	67 Å²	67	66.2 Å²	66.2	36%	0.358	35%	0.352	S	S	.	.			trans	-112.1	136.3	178	-63.2	-83.2	0	0	0	111	F524	F524-N528 WeakPolarHBondContact CD2-ND2 3.3Å; F524-N528 HydrophobicContact CE1-CB 4.16Å; F524-N528 HydrophobicContact CE2-CB 4.37Å; F524-N528 HydrophobicContact CZ-CB 4.07Å; F524-N528 WeakPolarHBondContact O-CB 3.32Å; F524-N528 PolarHBondContact O-N 3.22Å; F524-N528 PolarHBondContact O-ND2 3.21Å
529	A	95	Very high	92.8	Very high	86 Å²	86	69 Å²	69	71%	0.711	36%	0.359	S	S	*	.			trans	-87.3	148.7	173.8	0	0	0	0	0	111
530	S	96.2	Very high	93.2	Very high	42 Å²	42	68.4 Å²	68.4	29%	0.294	36%	0.355	S	S	.	.			trans	-67.7	135	170.5	58.7	0	0	0	0	110.1	I509	I509-S530 CarbonylContact O-C 3.53Å; I509-S530 VanDerWaalsContact O-CA 3.29Å; I509-S530 WeakPolarHBondContact O-CA 3.47Å; I509-S530 WeakPolarHBondContact O-CB 3.29Å
531	V	95.4	Very high	93.3	Very high	71 Å²	71	68.7 Å²	68.7	43%	0.43	36%	0.356	S	S	.	.	S	Bend	trans	-81.5	-28.8	174.8	-65.4	0	0	0	0	112.3	I509 K511 L549 Y554	I509-V531 HydrophobicContact CB-CG2 4.29Å; I509-V531 HydrophobicContact CG2-CG2 4.01Å; I509-V531 WeakPolarHBondContact O-CG2 3.35Å; I509-V531 PolarHBondContact O-N 3.11Å; K511-V531 HydrophobicContact CB-CG1 3.91Å; V531-L549 HydrophobicContact CG2-CD2 4.12Å; V531-Y554 HydrophobicContact CG2-CD1 3.82Å; V531-Y554 HydrophobicContact CG2-CE1 3.84Å
532	A	94.7	Very high	93.5	Very high	15 Å²	15	65.6 Å²	65.6	12%	0.124	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	165.7	176.7	0	0	0	0	0	110.2	I509 H547 L549	I509-A532 HydrophobicContact CB-CB 4.09Å; I509-A532 HydrophobicContact CD1-CB 4.07Å; I509-A532 HydrophobicContact CG1-CB 4.29Å; I509-A532 PolarHBondContact N-O 3.02Å; I509-A532 PolarHBondContact O-N 3.42Å; A532-H547 HydrophobicContact CB-CB 4.4Å; A532-L549 HydrophobicContact CB-CD2 4.1Å
533	R	95.4	Very high	93.7	Very high	179 Å²	179	62.7 Å²	62.7	68%	0.675	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-155.5	159.9	-178	52.6	-176.8	149.9	-162.8	-6.9	109.8	Y507 H547	Y507-R533 WeakPolarHBondContact O-CA 3.47Å; R533-H547 PolarHBondContact O-CE1 3.26Å
534	S	94.3	Very high	93.7	Very high	4 Å²	4	57.3 Å²	57.3	3%	0.028	30%	0.304	C	S	.	.			trans	-55.5	149.3	168.7	61.4	0	0	0	0	110.6	G506 Y507 A536	G506-S534 WeakPolarHBondContact CA-OG 3.3Å; Y507-S534 PolarHBondContact N-OG 2.65Å; Y507-S534 PolarHBondContact O-N 3.28Å; S534-A536 PolarHBondContact O-N 2.88Å; S534-A536 VanDerWaalsContact O-N 3.15Å; S534-A536 PolarHBondContact OG-O 2.86Å
535	P	87.7	Confident	93.4	Very high	105 Å²	105	56.6 Å²	56.6	68%	0.682	30%	0.303	S	S	*	.	S	Bend	trans	-54.8	-36.6	-177.3	-27	34.5	0	0	0	113.1
536	A	89.9	Confident	93.1	Very high	47 Å²	47	61.5 Å²	61.5	39%	0.388	32%	0.321	S	S	.	.			trans	-149.6	166.6	170.9	0	0	0	0	0	110.4	S534	S534-A536 PolarHBondContact O-N 2.88Å; S534-A536 VanDerWaalsContact O-N 3.15Å; S534-A536 PolarHBondContact OG-O 2.86Å
537	F	94.7	Very high	92.7	Very high	64 Å²	64	56.8 Å²	56.8	28%	0.281	30%	0.301	S	S	.	.			trans	-88.6	116.1	155.2	-89.2	-103.4	0	0	0	107.1	C452 T504 I505 S559 F561	C452-F537 HydrophobicContact CB-CD1 4.25Å; C452-F537 HydrophobicContact CB-CE1 3.57Å; C452-F537 HydrophobicContact CB-CE2 4.23Å; C452-F537 HydrophobicContact CB-CZ 3.56Å; T504-F537 VanDerWaalsContact CG2-C 3.5Å; T504-F537 HydrophobicContact CG2-CB 3.92Å; I505-F537 WeakPolarHBondContact O-CA 3.45Å; F537-S559 WeakPolarHBondContact CE1-O 3.46Å; F537-S559 WeakPolarHBondContact CE1-OG 3.25Å; F537-S559 WeakPolarHBondContact CZ-OG 3.39Å; F537-F561 HydrophobicContact CB-CD2 3.79Å; F537-F561 HydrophobicContact CD1-CB 3.96Å; F537-F561 AromaticContact CD1-CD2 3.93Å; F537-F561 HydrophobicContact CD1-CD2 3.93Å; F537-F561 HydrophobicContact CD1-CG 4.47Å; F537-F561 AromaticContact CG-CD2 3.92Å; F537-F561 HydrophobicContact CG-CD2 3.92Å
538	I	93.3	Very high	92.4	Very high	54 Å²	54	54.3 Å²	54.3	28%	0.277	29%	0.29	S	S	.	.	B	Isolated β-bridge	trans	-143.2	151	-171.4	-167.2	170.1	0	0	0	110.9	I505 L540 V543	I505-I538 PolarHBondContact N-O 3.49Å; I505-I538 PolarHBondContact O-N 3.29Å; I505-I538 VanDerWaalsContact O-N 3.12Å; I538-L540 HydrophobicContact CD1-CD1 4.05Å; I538-L540 HydrophobicContact CD1-CG 4.06Å; I538-L540 HydrophobicContact CG1-CD1 4.46Å; I538-L540 HydrophobicContact CG1-CG 4.06Å; I538-L540 HydrophobicContact CG2-CB 4.15Å; I538-L540 HydrophobicContact CG2-CD1 3.8Å; I538-L540 HydrophobicContact CG2-CG 3.84Å; I538-L540 PolarHBondContact O-N 3.35Å; I538-V543 HydrophobicContact CG2-CG2 3.5Å
539	N	92.2	Very high	92.1	Very high	89 Å²	89	51.6 Å²	51.6	48%	0.476	28%	0.276	S	S	.	.	S	Bend	trans	-81.8	53	178.2	63	-33.5	0	0	0	112.5	L502 L503	L502-N539 HydrophobicContact CB-CB 4.47Å; L502-N539 WeakPolarHBondContact CD1-O 3.4Å; L503-N539 WeakPolarHBondContact O-CA 3.46Å
540	L	91.7	Very high	91.9	Very high	21 Å²	21	51.3 Å²	51.3	11%	0.11	26%	0.262	C	S	.	.	S	Bend	trans	-101.6	157.7	172.1	-67.4	178	0	0	0	110.7	T270 M285 Q489 I538 E542 V543	T270-L540 HydrophobicContact CG2-CD2 3.65Å; M285-L540 HydrophobicContact CE-CD1 3.8Å; M285-L540 HydrophobicContact CE-CD2 4.42Å; M285-L540 HydrophobicContact SD-CD1 3.52Å; M285-L540 VanDerWaalsContact SD-CD1 3.52Å; Q489-L540 PolarHBondContact NE2-O 3.45Å; I538-L540 HydrophobicContact CD1-CD1 4.05Å; I538-L540 HydrophobicContact CD1-CG 4.06Å; I538-L540 HydrophobicContact CG1-CD1 4.46Å; I538-L540 HydrophobicContact CG1-CG 4.06Å; I538-L540 HydrophobicContact CG2-CB 4.15Å; I538-L540 HydrophobicContact CG2-CD1 3.8Å; I538-L540 HydrophobicContact CG2-CG 3.84Å; I538-L540 PolarHBondContact O-N 3.35Å; L540-E542 VanDerWaalsContact C-N 3.3Å; L540-E542 WeakPolarHBondContact CB-O 3.41Å; L540-E542 PolarHBondContact O-N 3.38Å; L540-V543 HydrophobicContact CB-CG2 4.48Å
541	R	94	Very high	91.4	Very high	7 Å²	7	52.3 Å²	52.3	3%	0.026	27%	0.267	C	S	.	.	S	Bend	trans	-61.8	-41.3	173.5	-168.5	-178.3	76.6	163.1	12.5	111.6	E273 E276 D277 M488 Q489 L502	E273-R541 HydrophobicContact CG-CB 3.8Å; E273-R541 HydrophobicContact CG-CG 4.49Å; E273-R541 PolarHBondContact O-NH1 3.14Å; E273-R541 PolarHBondContact O-NH2 3.08Å; E276-R541 IonicContact OE2-CZ 3.93Å; E276-R541 IonicContact OE2-NE 3.64Å; E276-R541 IonicContact OE2-NH2 3.88Å; E276-R541 PolarHBondContact OE2-NH2 2.8Å; D277-R541 IonicContact OD1-CZ 3.1Å; D277-R541 VanDerWaalsContact OD1-CZ 3.24Å; D277-R541 IonicContact OD1-NH1 2.65Å; D277-R541 PolarHBondContact OD1-NH1 3.16Å; D277-R541 IonicContact OD1-NH2 3.49Å; D277-R541 PolarHBondContact OD1-NH2 2.82Å; D277-R541 IonicContact OD2-CZ 3.63Å; D277-R541 IonicContact OD2-NH1 3.81Å; D277-R541 PolarHBondContact OD2-NH1 3.16Å; M488-R541 CarbonylContact C-O 3.49Å; M488-R541 VanDerWaalsContact CA-O 3.29Å; M488-R541 WeakPolarHBondContact CA-O 3.45Å; M488-R541 HydrophobicContact CG-CG 4.29Å; Q489-R541 WeakPolarHBondContact CG-O 3.46Å; Q489-R541 PolarHBondContact N-O 2.96Å; L502-R541 HydrophobicContact CD2-CB 4.15Å; L502-R541 HydrophobicContact CD2-CG 4.49Å
542	E	93.9	Very high	91.1	Very high	11 Å²	11	50 Å²	50	5%	0.051	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	142.1	173	-175.4	170.1	-145.1	0	0	111.3	E276 G486 L487 M488 L540 R572	E276-E542 VanDerWaalsContact OE1-OE2 3.1Å; G486-E542 WeakPolarHBondContact CA-OE1 3.35Å; L487-E542 CarbonylContact O-C 3.53Å; L487-E542 VanDerWaalsContact O-CA 3.27Å; L487-E542 WeakPolarHBondContact O-CA 2.98Å; M488-E542 HydrophobicContact CB-CB 3.97Å; M488-E542 HydrophobicContact CB-CG 3.96Å; M488-E542 HydrophobicContact CE-CB 3.95Å; M488-E542 VanDerWaalsContact CE-CD 3.5Å; M488-E542 HydrophobicContact CE-CG 4.25Å; M488-E542 WeakPolarHBondContact CE-OE2 3.46Å; M488-E542 HydrophobicContact CG-CB 4.12Å; L540-E542 VanDerWaalsContact C-N 3.3Å; L540-E542 WeakPolarHBondContact CB-O 3.41Å; L540-E542 PolarHBondContact O-N 3.38Å; E542-R572 IonicContact OE1-CZ 3.96Å; E542-R572 VanDerWaalsContact OE1-CZ 3.25Å; E542-R572 IonicContact OE1-NE 3.9Å; E542-R572 PolarHBondContact OE1-NE 2.72Å; E542-R572 IonicContact OE1-NH2 3.95Å; E542-R572 PolarHBondContact OE1-NH2 3.43Å; E542-R572 IonicContact OE2-CZ 3.17Å; E542-R572 IonicContact OE2-NE 2.58Å; E542-R572 IonicContact OE2-NH2 3.6Å; E542-R572 PolarHBondContact OE2-NH2 2.64Å
543	V	94	Very high	90.9	Very high	8 Å²	8	52.6 Å²	52.6	5%	0.048	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	117.4	170.1	-179.7	0	0	0	0	108.6	G486 L487 I505 I538 L540	G486-V543 WeakPolarHBondContact CA-O 3.33Å; L487-V543 PolarHBondContact N-O 3.17Å; L487-V543 PolarHBondContact O-N 2.69Å; I505-V543 HydrophobicContact CD1-CG2 4.32Å; I505-V543 HydrophobicContact CG1-CG2 3.88Å; I538-V543 HydrophobicContact CG2-CG2 3.5Å; L540-V543 HydrophobicContact CB-CG2 4.48Å
544	C	92	Very high	90.8	Very high	21 Å²	21	44.2 Å²	44.2	14%	0.142	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	147.2	178.7	-177.1	0	0	0	0	111	I282 S283 V485	I282-C544 HydrophobicContact CD1-CB 4.47Å; I282-C544 WeakPolarHBondContact CD1-SG 3.22Å; S283-C544 WeakPolarHBondContact O-CB 3.26Å; V485-C544 CarbonylContact O-C 3.58Å; V485-C544 WeakPolarHBondContact O-CA 3.46Å
545	G	88.9	Confident	90.7	Very high	6 Å²	6	44 Å²	44	6%	0.062	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	137.2	170.4	0	0	0	0	0	111.8	I484 V485 Y507 H547	I484-G545 WeakPolarHBondContact CA-O 3.39Å; V485-G545 PolarHBondContact N-O 3.45Å; V485-G545 PolarHBondContact O-N 2.58Å; Y507-G545 VanDerWaalsContact OH-CA 3.25Å; Y507-G545 WeakPolarHBondContact OH-CA 3.43Å; Y507-G545 PolarHBondContact OH-N 2.89Å; Y507-G545 VanDerWaalsContact OH-N 3.11Å; Y507-G545 PolarHBondContact OH-O 2.86Å; G545-H547 PolarHBondContact O-CD2 3.09Å; G545-H547 PolarHBondContact O-NE2 2.97Å
546	R	87.2	Confident	91.1	Very high	103 Å²	103	39 Å²	39	39%	0.389	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	125.4	172.7	178.1	179.9	-75.8	108.4	1.3	109.6	E284 T482 I484	E284-R546 IonicContact OE1-CZ 2.92Å; E284-R546 IonicContact OE1-NH1 2.75Å; E284-R546 PolarHBondContact OE1-NH1 3.07Å; E284-R546 IonicContact OE1-NH2 3.97Å; E284-R546 PolarHBondContact OE1-NH2 2.89Å; E284-R546 IonicContact OE2-CZ 2.88Å; E284-R546 IonicContact OE2-NH1 2.64Å; E284-R546 PolarHBondContact OE2-NH1 3.1Å; E284-R546 IonicContact OE2-NH2 3.07Å; T482-R546 HydrophobicContact CG2-CG 3.91Å; I484-R546 HydrophobicContact CD1-CB 4.5Å; I484-R546 HydrophobicContact CD1-CG 4.27Å; I484-R546 HydrophobicContact CG1-CB 4.01Å; I484-R546 HydrophobicContact CG1-CG 3.93Å
547	H	87.6	Confident	91.4	Very high	21 Å²	21	36.8 Å²	36.8	10%	0.097	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	139.1	-177.2	-53.7	-68.5	0	0	0	110.2	T482 L483 Y507 A532 R533 G545 L549	T482-H547 WeakPolarHBondContact CA-O 3.28Å; L483-H547 PolarHBondContact N-O 3.34Å; L483-H547 PolarHBondContact O-N 3.5Å; Y507-H547 AromaticContact CE2-NE2 3.47Å; Y507-H547 WeakPolarHBondContact CE2-NE2 3.44Å; Y507-H547 AromaticContact CZ-NE2 3.62Å; Y507-H547 PolarHBondContact OH-NE2 3.17Å; A532-H547 HydrophobicContact CB-CB 4.4Å; R533-H547 PolarHBondContact O-CE1 3.26Å; G545-H547 PolarHBondContact O-CD2 3.09Å; G545-H547 PolarHBondContact O-NE2 2.97Å; H547-L549 HydrophobicContact CB-CD1 4.49Å; H547-L549 HydrophobicContact CB-CD2 4.44Å; H547-L549 HydrophobicContact CB-CG 4.19Å
548	R	86.5	Confident	91.6	Very high	119 Å²	119	33.8 Å²	33.8	45%	0.449	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	114.3	171	-69.7	-177.1	55.5	178.3	-18.5	108.3	D476 E478 K480	D476-R548 IonicContact OD1-CZ 2.69Å; D476-R548 VanDerWaalsContact OD1-CZ 3.3Å; D476-R548 IonicContact OD1-NH1 3.3Å; D476-R548 IonicContact OD1-NH2 3.83Å; D476-R548 PolarHBondContact OD1-NH2 3.13Å; D476-R548 IonicContact OD2-CZ 2.71Å; D476-R548 IonicContact OD2-NE 3.9Å; D476-R548 IonicContact OD2-NH2 3.98Å; D476-R548 PolarHBondContact OD2-NH2 2.87Å; E478-R548 IonicContact OE2-NH2 2.86Å; K480-R548 HydrophobicContact CB-CB 4.34Å; K480-R548 HydrophobicContact CD-CB 4.24Å
549	L	89.2	Confident	91.8	Very high	10 Å²	10	31.2 Å²	31.2	5%	0.052	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	147.1	-171	-60.4	176.9	0	0	0	110.2	V469 K480 G481 L483 I509 V531 A532 H547 Y554	V469-L549 HydrophobicContact CG2-CB 4.48Å; K480-L549 CarbonylContact C-O 3.15Å; K480-L549 WeakPolarHBondContact CA-O 3.32Å; K480-L549 WeakPolarHBondContact CB-O 3.42Å; G481-L549 PolarHBondContact N-O 3.09Å; G481-L549 PolarHBondContact O-N 2.89Å; L483-L549 HydrophobicContact CB-CD1 4.34Å; L483-L549 HydrophobicContact CD2-CD1 3.67Å; I509-L549 HydrophobicContact CG2-CD1 4.26Å; V531-L549 HydrophobicContact CG2-CD2 4.12Å; A532-L549 HydrophobicContact CB-CD2 4.1Å; H547-L549 HydrophobicContact CB-CD1 4.49Å; H547-L549 HydrophobicContact CB-CD2 4.44Å; H547-L549 HydrophobicContact CB-CG 4.19Å; L549-Y554 HydrophobicContact CB-CE1 4.5Å; L549-Y554 HydrophobicContact CB-CE2 4.15Å; L549-Y554 HydrophobicContact CD1-CD1 4.31Å; L549-Y554 HydrophobicContact CD1-CD2 4.3Å; L549-Y554 HydrophobicContact CD1-CE1 4.34Å; L549-Y554 HydrophobicContact CD1-CE2 4.31Å; L549-Y554 HydrophobicContact CD1-CG 4.3Å
550	D	90	Very high	92.1	Very high	80 Å²	80	27 Å²	27	43%	0.428	13%	0.131	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	159.9	170.7	-50.5	-36.7	0	0	0	110.1	K511 Y554	K511-D550 IonicContact NZ-OD2 3.99Å; D550-Y554 PolarHBondContact N-OH 3.36Å; D550-Y554 VanDerWaalsContact O-CE2 3.3Å; D550-Y554 WeakPolarHBondContact O-CE2 3.43Å; D550-Y554 PolarHBondContact O-OH 2.85Å
551	T	86.9	Confident	92.4	Very high	63 Å²	63	29.2 Å²	29.2	39%	0.387	14%	0.141	S	C	.	.	S	Bend	trans	-59.7	142.3	170.8	55.7	0	0	0	0	111.4	V469 E470	V469-T551 CarbonylContact O-C 3.47Å; V469-T551 VanDerWaalsContact O-CA 3.28Å; V469-T551 WeakPolarHBondContact O-CA 3.49Å; E470-T551 WeakPolarHBondContact O-CG2 3.47Å
552	G	88.6	Confident	92.6	Very high	24 Å²	24	32.8 Å²	32.8	25%	0.247	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	145.1	-175.3	-178.7	0	0	0	0	0	114.7	V469 Y554	V469-G552 PolarHBondContact N-O 3.05Å; V469-G552 PolarHBondContact O-N 3.12Å; G552-Y554 WeakPolarHBondContact O-CD2 3.45Å; G552-Y554 WeakPolarHBondContact O-CE2 3.48Å
553	R	90.4	Very high	92.6	Very high	69 Å²	69	33.7 Å²	33.7	26%	0.26	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	138.4	179.3	-66.3	175.8	65.3	-147.4	-4.4	110.7	T468 L512 E514 Q516	T468-R553 HydrophobicContact CG2-CG 4.27Å; L512-R553 HydrophobicContact CB-CB 4.06Å; L512-R553 HydrophobicContact CD1-CB 4.36Å; L512-R553 PolarHBondContact N-O 3.07Å; E514-R553 PolarHBondContact O-NH1 3.11Å; Q516-R553 PolarHBondContact O-NH1 3.43Å; Q516-R553 VanDerWaalsContact O-NH1 3.14Å; Q516-R553 PolarHBondContact O-NH2 2.97Å
554	Y	92.8	Very high	92.6	Very high	3 Å²	3	36.8 Å²	36.8	1%	0.012	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	154.2	-179.4	-60.3	-87.3	0	0	0	111.1	V466 V467 V469 I509 Y510 K511 V531 L549 D550 G552	V466-Y554 CarbonylContact C-O 3.58Å; V466-Y554 VanDerWaalsContact CA-O 3.29Å; V466-Y554 WeakPolarHBondContact CA-O 3.32Å; V467-Y554 PolarHBondContact N-O 2.96Å; V467-Y554 PolarHBondContact O-N 2.95Å; V469-Y554 HydrophobicContact CB-CE2 4.1Å; V469-Y554 HydrophobicContact CG2-CD2 3.87Å; V469-Y554 HydrophobicContact CG2-CE2 3.76Å; I509-Y554 HydrophobicContact CG2-CD1 4.1Å; I509-Y554 HydrophobicContact CG2-CG 4.28Å; Y510-Y554 CarbonylContact O-C 3.46Å; Y510-Y554 WeakPolarHBondContact O-CA 3.4Å; Y510-Y554 WeakPolarHBondContact O-CB 3.42Å; K511-Y554 HydrophobicContact CB-CD1 4.01Å; K511-Y554 HydrophobicContact CB-CE1 3.8Å; K511-Y554 HydrophobicContact CD-CE1 4.17Å; K511-Y554 HydrophobicContact CG-CD1 4.33Å; K511-Y554 HydrophobicContact CG-CE1 3.86Å; V531-Y554 HydrophobicContact CG2-CD1 3.82Å; V531-Y554 HydrophobicContact CG2-CE1 3.84Å; L549-Y554 HydrophobicContact CB-CE1 4.5Å; L549-Y554 HydrophobicContact CB-CE2 4.15Å; L549-Y554 HydrophobicContact CD1-CD1 4.31Å; L549-Y554 HydrophobicContact CD1-CD2 4.3Å; L549-Y554 HydrophobicContact CD1-CE1 4.34Å; L549-Y554 HydrophobicContact CD1-CE2 4.31Å; L549-Y554 HydrophobicContact CD1-CG 4.3Å; D550-Y554 PolarHBondContact N-OH 3.36Å; D550-Y554 VanDerWaalsContact O-CE2 3.3Å; D550-Y554 WeakPolarHBondContact O-CE2 3.43Å; D550-Y554 PolarHBondContact O-OH 2.85Å; G552-Y554 WeakPolarHBondContact O-CD2 3.45Å; G552-Y554 WeakPolarHBondContact O-CE2 3.48Å
555	A	93.8	Very high	92.7	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	126.9	168.8	0	0	0	0	0	110	Y465 I509 Y510 L512 L520 I557	Y465-A555 CarbonylContact O-C 3.26Å; Y465-A555 WeakPolarHBondContact O-CA 3.11Å; I509-A555 CarbonylContact C-O 3.5Å; I509-A555 WeakPolarHBondContact CA-O 3.34Å; Y510-A555 PolarHBondContact N-O 3.07Å; Y510-A555 PolarHBondContact O-N 2.84Å; L512-A555 HydrophobicContact CD1-CB 4.15Å; L512-A555 HydrophobicContact CD2-CB 3.9Å; L512-A555 HydrophobicContact CG-CB 4.13Å; L520-A555 HydrophobicContact CD1-CB 3.77Å; A555-I557 HydrophobicContact CB-CD1 4.23Å
556	I	95.8	Very high	92.9	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	124.6	172.4	-57.3	168.9	0	0	0	108	Y465 V467 L483 V485 Y507 I509 P558 L571 I573	Y465-I556 PolarHBondContact N-O 3.34Å; Y465-I556 PolarHBondContact O-N 2.79Å; V467-I556 HydrophobicContact CB-CD1 4.41Å; V467-I556 HydrophobicContact CG1-CD1 3.88Å; V467-I556 HydrophobicContact CG1-CG1 4.1Å; L483-I556 HydrophobicContact CD2-CD1 4.47Å; V485-I556 HydrophobicContact CG1-CD1 4.32Å; V485-I556 HydrophobicContact CG1-CG2 4.18Å; V485-I556 HydrophobicContact CG2-CD1 3.84Å; Y507-I556 HydrophobicContact CD2-CG2 4.44Å; Y507-I556 HydrophobicContact CG-CG2 4.49Å; I509-I556 HydrophobicContact CG1-CG1 4.27Å; I556-P558 VanDerWaalsContact O-CD 3.31Å; I556-P558 WeakPolarHBondContact O-CD 3.47Å; I556-L571 HydrophobicContact CB-CD2 4.42Å; I556-L571 HydrophobicContact CG2-CD1 4.25Å; I556-L571 HydrophobicContact CG2-CD2 4.05Å; I556-I573 HydrophobicContact CD1-CD1 3.68Å; I556-I573 HydrophobicContact CD1-CG1 3.92Å
557	I	96.8	Very high	93.1	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	92.8	-179	-43.2	-61.4	0	0	0	108.8	F459 N462 Q464 Y507 A508 Y510 F525 A555	F459-I557 HydrophobicContact CE1-CB 4.44Å; F459-I557 HydrophobicContact CE1-CG1 4.44Å; F459-I557 HydrophobicContact CE1-CG2 4.07Å; F459-I557 HydrophobicContact CE2-CB 4.46Å; F459-I557 HydrophobicContact CE2-CG2 3.86Å; F459-I557 HydrophobicContact CZ-CB 3.81Å; F459-I557 HydrophobicContact CZ-CG1 4.24Å; F459-I557 HydrophobicContact CZ-CG2 3.52Å; N462-I557 HydrophobicContact CB-CG2 3.85Å; Q464-I557 HydrophobicContact CB-CD1 3.8Å; Q464-I557 HydrophobicContact CG-CD1 3.71Å; Y507-I557 VanDerWaalsContact CA-O 3.29Å; Y507-I557 WeakPolarHBondContact CA-O 3.4Å; A508-I557 PolarHBondContact N-O 3.15Å; A508-I557 VanDerWaalsContact N-O 3.14Å; A508-I557 PolarHBondContact O-N 3.46Å; Y510-I557 HydrophobicContact CD2-CG1 4Å; Y510-I557 HydrophobicContact CE2-CG1 4.12Å; F525-I557 HydrophobicContact CE1-CD1 4.08Å; F525-I557 HydrophobicContact CE1-CG1 3.9Å; F525-I557 HydrophobicContact CZ-CD1 3.86Å; F525-I557 HydrophobicContact CZ-CG1 4.12Å; A555-I557 HydrophobicContact CB-CD1 4.23Å
558	P	97.7	Very high	93.4	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	134.4	172	29.5	-35.2	0	0	0	111.3	W443 P463 Y465 L487 I556 F569	W443-P558 HydrophobicContact CZ2-CB 4.14Å; W443-P558 PolarHBondContact NE1-O 2.92Å; P463-P558 WeakPolarHBondContact O-CD 3.45Å; Y465-P558 HydrophobicContact CD2-CG 3.91Å; Y465-P558 HydrophobicContact CE2-CG 3.65Å; L487-P558 HydrophobicContact CD1-CB 3.61Å; L487-P558 HydrophobicContact CD2-CB 3.74Å; L487-P558 HydrophobicContact CG-CB 4.3Å; I556-P558 VanDerWaalsContact O-CD 3.31Å; I556-P558 WeakPolarHBondContact O-CD 3.47Å; P558-F569 HydrophobicContact CB-CE2 4.16Å; P558-F569 HydrophobicContact CB-CZ 4.29Å; P558-F569 HydrophobicContact CG-CE1 4.49Å; P558-F569 HydrophobicContact CG-CE2 3.71Å; P558-F569 HydrophobicContact CG-CZ 3.67Å
559	S	98.1	Very high	93.8	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	153.2	-178.6	59.3	0	0	0	0	112.5	G451 G506 F537	G451-S559 WeakPolarHBondContact O-CB 3.42Å; G506-S559 PolarHBondContact N-O 3.49Å; G506-S559 PolarHBondContact O-N 2.62Å; F537-S559 WeakPolarHBondContact CE1-O 3.46Å; F537-S559 WeakPolarHBondContact CE1-OG 3.25Å; F537-S559 WeakPolarHBondContact CZ-OG 3.39Å
560	T	98.1	Very high	94	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	162.7	158	53.4	0	0	0	0	110	W443 G451 C452 L503 T504 I505 Q562 E565	W443-T560 HydrophobicContact CD2-CG2 3.82Å; W443-T560 HydrophobicContact CE3-CG2 3.61Å; W443-T560 HydrophobicContact CG-CG2 4.33Å; W443-T560 HydrophobicContact CH2-CG2 4.44Å; W443-T560 HydrophobicContact CZ3-CG2 3.95Å; G451-T560 CarbonylContact C-O 3.39Å; G451-T560 VanDerWaalsContact CA-O 3.28Å; G451-T560 WeakPolarHBondContact CA-O 3.26Å; C452-T560 PolarHBondContact N-O 3.24Å; L503-T560 HydrophobicContact CB-CG2 4.37Å; L503-T560 HydrophobicContact CD1-CG2 3.75Å; T504-T560 CarbonylContact O-C 3.57Å; T504-T560 WeakPolarHBondContact O-CA 3.39Å; I505-T560 HydrophobicContact CG2-CG2 4.28Å; T560-Q562 PolarHBondContact OG1-O 2.74Å; T560-E565 WeakPolarHBondContact CB-OE2 3.41Å; T560-E565 HydrophobicContact CG2-CB 3.99Å
561	F	97.8	Very high	94.1	Very high	69 Å²	69	31.4 Å²	31.4	30%	0.303	16%	0.163	S	C	.	.	S	Bend	trans	-68.3	-49	176.6	-172.4	-96.5	0	0	0	110.9	C452 F455 T504 F537	C452-F561 HydrophobicContact CB-CD2 4.44Å; C452-F561 PolarHBondContact N-O 3.13Å; C452-F561 VanDerWaalsContact N-O 3.09Å; C452-F561 PolarHBondContact SG-O 3.39Å; F455-F561 VanDerWaalsContact CE2-O 3.3Å; F455-F561 WeakPolarHBondContact CE2-O 3.5Å; T504-F561 HydrophobicContact CG2-CB 3.72Å; T504-F561 HydrophobicContact CG2-CG 4.3Å; T504-F561 PolarHBondContact O-N 2.96Å; F537-F561 HydrophobicContact CB-CD2 3.79Å; F537-F561 HydrophobicContact CD1-CB 3.96Å; F537-F561 AromaticContact CD1-CD2 3.93Å; F537-F561 HydrophobicContact CD1-CD2 3.93Å; F537-F561 HydrophobicContact CD1-CG 4.47Å; F537-F561 AromaticContact CG-CD2 3.92Å; F537-F561 HydrophobicContact CG-CD2 3.92Å
562	Q	97.6	Very high	94.2	Very high	82 Å²	82	28.4 Å²	28.4	38%	0.383	14%	0.144	S	C	.	.	S	Bend	trans	-93.6	145.6	178.2	-63.9	-64.2	-19.7	0	0	111.1	T560 E565	T560-Q562 PolarHBondContact OG1-O 2.74Å; Q562-E565 HydrophobicContact CB-CG 4.07Å
563	P	95.7	Very high	94.1	Very high	30 Å²	30	27.3 Å²	27.3	20%	0.195	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	161.2	172.7	30.8	-35.1	0	0	0	111.3	F455 E565	F455-P563 HydrophobicContact CD1-CG 4.06Å; F455-P563 HydrophobicContact CE1-CG 4.26Å; F455-P563 HydrophobicContact CG-CG 4.19Å; P563-E565 PolarHBondContact O-N 2.66Å
564	N	93.4	Very high	93.7	Very high	72 Å²	72	24 Å²	24	39%	0.385	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.1	11.9	177.8	-60.5	-66.2	0	0	0	116.3	R445 R446 A449	R445-N564 HydrophobicContact CG-CB 4.05Å; R446-N564 PolarHBondContact N-OD1 3.47Å; A449-N564 PolarHBondContact O-N 3.32Å
565	E	94.5	Very high	93	Very high	55 Å²	55	24 Å²	24	26%	0.257	12%	0.12	S	C	.	.			trans	-80.9	131.6	170.1	-64.1	-170.4	136.9	0	0	110.5	W443 A449 L503 T560 Q562 P563	W443-E565 WeakPolarHBondContact CB-O 3.33Å; A449-E565 WeakPolarHBondContact CB-O 3.09Å; L503-E565 HydrophobicContact CD1-CB 3.95Å; L503-E565 HydrophobicContact CD2-CB 4.29Å; L503-E565 HydrophobicContact CD2-CG 4.46Å; T560-E565 WeakPolarHBondContact CB-OE2 3.41Å; T560-E565 HydrophobicContact CG2-CB 3.99Å; Q562-E565 HydrophobicContact CB-CG 4.07Å; P563-E565 PolarHBondContact O-N 2.66Å
566	E	92.3	Very high	91.7	Very high	106 Å²	106	25 Å²	25	50%	0.495	13%	0.125	S	C	.	.			trans	-101.5	126.5	-176.6	-62	-173.9	123.2	0	0	111.8	W443 R445 R492	W443-E566 VanDerWaalsContact O-CA 3.25Å; W443-E566 WeakPolarHBondContact O-CA 3.2Å; R445-E566 VanDerWaalsContact CB-CD 3.41Å; R445-E566 HydrophobicContact CB-CG 3.57Å; R445-E566 WeakPolarHBondContact CB-OE1 3.22Å; R445-E566 PolarHBondContact N-OE1 3.11Å; R492-E566 PolarHBondContact NH1-O 2.93Å
567	A	92.7	Very high	90.2	Very high	8 Å²	8	27.8 Å²	27.8	7%	0.066	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.6	149.8	167	0	0	0	0	0	111.3	C442 W443 L503	C442-A567 WeakPolarHBondContact CA-O 2.95Å; W443-A567 HydrophobicContact CE3-CB 3.94Å; W443-A567 HydrophobicContact CZ3-CB 4.21Å; W443-A567 PolarHBondContact N-O 3.07Å; W443-A567 PolarHBondContact O-N 2.82Å; L503-A567 HydrophobicContact CD1-CB 3.65Å
568	D	93.4	Very high	88.2	Confident	79 Å²	79	32 Å²	32	42%	0.422	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	146.7	164.1	-56.8	-37.7	0	0	0	109.4	C442 K490	C442-D568 WeakPolarHBondContact CB-OD1 3.31Å; K490-D568 HydrophobicContact CB-CB 4.12Å; K490-D568 HydrophobicContact CD-CB 4.18Å; K490-D568 HydrophobicContact CG-CB 4.37Å; K490-D568 PolarHBondContact N-O 3.39Å
569	F	94.7	Very high	86.5	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	165.8	177.1	68.3	-97.2	0	0	0	112.2	G441 C442 W443 P463 Y465 L487 M488 K490 P558 L571	G441-F569 VanDerWaalsContact C-CE1 3.49Å; G441-F569 PolarHBondContact N-O 3.24Å; G441-F569 PolarHBondContact O-N 3.28Å; G441-F569 VanDerWaalsContact O-O 3.05Å; C442-F569 VanDerWaalsContact N-CE1 3.35Å; W443-F569 AromaticContact CD2-CD1 3.63Å; W443-F569 HydrophobicContact CD2-CD1 3.63Å; W443-F569 AromaticContact CD2-CE1 3.99Å; W443-F569 HydrophobicContact CD2-CE1 3.99Å; W443-F569 AromaticContact CE2-CD1 3.52Å; W443-F569 AromaticContact CE2-CE1 3.68Å; W443-F569 AromaticContact CE3-CD1 3.81Å; W443-F569 HydrophobicContact CE3-CD1 3.81Å; W443-F569 HydrophobicContact CG-CD1 4.29Å; W443-F569 HydrophobicContact CG-CE1 4.25Å; W443-F569 HydrophobicContact CH2-CB 3.83Å; W443-F569 AromaticContact CH2-CD1 3.85Å; W443-F569 HydrophobicContact CH2-CD1 3.85Å; W443-F569 AromaticContact CH2-CG 4Å; W443-F569 HydrophobicContact CH2-CG 4Å; W443-F569 HydrophobicContact CZ2-CB 4.39Å; W443-F569 AromaticContact CZ2-CD1 3.66Å; W443-F569 HydrophobicContact CZ2-CD1 3.66Å; W443-F569 HydrophobicContact CZ2-CE1 4.1Å; W443-F569 HydrophobicContact CZ2-CG 4.05Å; W443-F569 HydrophobicContact CZ3-CB 3.9Å; W443-F569 AromaticContact CZ3-CD1 3.93Å; W443-F569 HydrophobicContact CZ3-CD1 3.93Å; W443-F569 HydrophobicContact CZ3-CG 4.27Å; W443-F569 AromaticContact NE1-CE1 3.71Å; P463-F569 HydrophobicContact CB-CZ 4Å; P463-F569 HydrophobicContact CG-CE1 4.01Å; P463-F569 HydrophobicContact CG-CZ 3.87Å; Y465-F569 AromaticContact CE2-CE2 3.86Å; Y465-F569 HydrophobicContact CE2-CE2 3.86Å; Y465-F569 AromaticContact CE2-CZ 3.96Å; Y465-F569 HydrophobicContact CE2-CZ 3.96Å; L487-F569 HydrophobicContact CD1-CB 3.99Å; L487-F569 HydrophobicContact CD1-CD2 3.59Å; L487-F569 HydrophobicContact CD1-CE2 4.33Å; L487-F569 HydrophobicContact CD1-CG 3.93Å; M488-F569 CarbonylContact O-C 3.58Å; M488-F569 WeakPolarHBondContact O-CA 3.46Å; M488-F569 WeakPolarHBondContact O-CB 3.42Å; K490-F569 WeakPolarHBondContact CE-O 3.13Å; P558-F569 HydrophobicContact CB-CE2 4.16Å; P558-F569 HydrophobicContact CB-CZ 4.29Å; P558-F569 HydrophobicContact CG-CE1 4.49Å; P558-F569 HydrophobicContact CG-CE2 3.71Å; P558-F569 HydrophobicContact CG-CZ 3.67Å; F569-L571 HydrophobicContact CE2-CB 4.47Å
570	M	92.4	Very high	84.5	Confident	0 Å²	0	37 Å²	37	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	128.7	171.6	177	176.9	49.8	0	0	107.8	W215 Y217 I438 M488 R572	W215-M570 HydrophobicContact CH2-CE 3.32Å; W215-M570 HydrophobicContact CH2-SD 4.3Å; W215-M570 HydrophobicContact CZ2-CE 3.82Å; W215-M570 HydrophobicContact CZ2-SD 4.2Å; W215-M570 HydrophobicContact CZ3-CE 4.22Å; Y217-M570 VanDerWaalsContact C-SD 3.55Å; I438-M570 HydrophobicContact CG2-CG 3.55Å; I438-M570 HydrophobicContact CG2-SD 3.74Å; M488-M570 HydrophobicContact CB-CB 4.47Å; M488-M570 HydrophobicContact CB-CE 4.02Å; M488-M570 HydrophobicContact CE-CE 4.17Å; M488-M570 HydrophobicContact CG-CE 4.24Å; M488-M570 PolarHBondContact N-O 2.96Å; M488-M570 PolarHBondContact O-N 2.98Å; M488-M570 HydrophobicContact SD-CE 3.45Å; M488-M570 WeakPolarHBondContact SD-CE 3.48Å; M570-R572 HydrophobicContact CE-CG 4.36Å; M570-R572 HydrophobicContact CG-CG 3.99Å; M570-R572 HydrophobicContact SD-CG 4.2Å
571	L	92.1	Very high	82.9	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	119.4	175.1	-176.1	68.9	0	0	0	108.4	I438 E439 Y465 V485 G486 L487 I556 F569 I573	I438-L571 WeakPolarHBondContact CA-O 3.36Å; E439-L571 HydrophobicContact CB-CB 4.3Å; E439-L571 PolarHBondContact N-O 2.82Å; E439-L571 PolarHBondContact O-N 3.47Å; Y465-L571 HydrophobicContact CD1-CD2 4.42Å; Y465-L571 HydrophobicContact CD2-CD2 3.49Å; Y465-L571 VanDerWaalsContact CD2-CD2 3.49Å; Y465-L571 HydrophobicContact CE2-CD2 4.09Å; Y465-L571 HydrophobicContact CG-CD2 3.67Å; V485-L571 HydrophobicContact CG1-CD1 3.56Å; G486-L571 CarbonylContact O-C 3.53Å; G486-L571 WeakPolarHBondContact O-CA 3.25Å; L487-L571 HydrophobicContact CB-CD1 4.3Å; L487-L571 HydrophobicContact CD1-CD1 4.32Å; I556-L571 HydrophobicContact CB-CD2 4.42Å; I556-L571 HydrophobicContact CG2-CD1 4.25Å; I556-L571 HydrophobicContact CG2-CD2 4.05Å; F569-L571 HydrophobicContact CE2-CB 4.47Å; L571-I573 HydrophobicContact CD2-CD1 3.97Å; L571-I573 HydrophobicContact CD2-CG1 4.4Å; L571-I573 HydrophobicContact CG-CD1 4.24Å; L571-I573 HydrophobicContact CG-CG1 4.18Å
572	R	89.3	Confident	81.7	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	124.5	178.8	-53.3	-168.1	-69.5	167.4	-3	108.8	G280 G281 C437 I438 V485 G486 E542 M570 F574	G280-R572 PolarHBondContact O-NH1 2.84Å; G281-R572 PolarHBondContact O-NH1 2.56Å; G281-R572 PolarHBondContact O-NH2 3.05Å; C437-R572 WeakPolarHBondContact O-CA 3.23Å; I438-R572 HydrophobicContact CG1-CG 4.45Å; V485-R572 WeakPolarHBondContact CA-O 3.47Å; G486-R572 PolarHBondContact N-O 2.98Å; G486-R572 PolarHBondContact O-N 2.77Å; E542-R572 IonicContact OE1-CZ 3.96Å; E542-R572 VanDerWaalsContact OE1-CZ 3.25Å; E542-R572 IonicContact OE1-NE 3.9Å; E542-R572 PolarHBondContact OE1-NE 2.72Å; E542-R572 IonicContact OE1-NH2 3.95Å; E542-R572 PolarHBondContact OE1-NH2 3.43Å; E542-R572 IonicContact OE2-CZ 3.17Å; E542-R572 IonicContact OE2-NE 2.58Å; E542-R572 IonicContact OE2-NH2 3.6Å; E542-R572 PolarHBondContact OE2-NH2 2.64Å; M570-R572 HydrophobicContact CE-CG 4.36Å; M570-R572 HydrophobicContact CG-CG 3.99Å; M570-R572 HydrophobicContact SD-CG 4.2Å; R572-F574 HydrophobicContact CB-CD2 4.49Å; R572-F574 HydrophobicContact CB-CE2 3.73Å
573	I	86.4	Confident	80.8	Confident	1 Å²	1	39 Å²	39	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	119.9	-176.7	-63.8	163.7	0	0	0	107.9	M436 C437 V467 L483 I484 I556 L571 T581	M436-I573 WeakPolarHBondContact CA-O 3.36Å; C437-I573 PolarHBondContact N-O 2.84Å; C437-I573 PolarHBondContact O-N 2.83Å; V467-I573 HydrophobicContact CG2-CG2 4.11Å; L483-I573 HydrophobicContact CD1-CG2 3.45Å; L483-I573 VanDerWaalsContact CD1-CG2 3.45Å; I484-I573 WeakPolarHBondContact O-CA 3.21Å; I556-I573 HydrophobicContact CD1-CD1 3.68Å; I556-I573 HydrophobicContact CD1-CG1 3.92Å; L571-I573 HydrophobicContact CD2-CD1 3.97Å; L571-I573 HydrophobicContact CD2-CG1 4.4Å; L571-I573 HydrophobicContact CG-CD1 4.24Å; L571-I573 HydrophobicContact CG-CG1 4.18Å; I573-T581 HydrophobicContact CB-CG2 4.47Å; I573-T581 HydrophobicContact CD1-CG2 3.68Å; I573-T581 HydrophobicContact CG2-CG2 4.46Å
574	F	82.1	Confident	79.9	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	139.8	177.5	-58.3	-108.8	0	0	0	110.6	I282 P422 W434 E435 M436 I484 R572	I282-F574 HydrophobicContact CB-CE2 4.1Å; I282-F574 HydrophobicContact CB-CZ 3.94Å; I282-F574 HydrophobicContact CD1-CD2 3.85Å; I282-F574 HydrophobicContact CD1-CE2 3.53Å; I282-F574 HydrophobicContact CD1-CZ 4.25Å; I282-F574 HydrophobicContact CG1-CE2 4.27Å; I282-F574 HydrophobicContact CG2-CE1 4.4Å; I282-F574 HydrophobicContact CG2-CE2 4.34Å; I282-F574 HydrophobicContact CG2-CZ 4.06Å; P422-F574 HydrophobicContact CG-CD1 4.46Å; P422-F574 HydrophobicContact CG-CE1 4.44Å; W434-F574 HydrophobicContact CE3-CB 4Å; W434-F574 HydrophobicContact CZ3-CB 4.27Å; E435-F574 WeakPolarHBondContact O-CA 3.29Å; M436-F574 HydrophobicContact CB-CD1 3.83Å; M436-F574 HydrophobicContact CB-CE1 3.72Å; M436-F574 HydrophobicContact CB-CZ 4.3Å; M436-F574 HydrophobicContact CG-CD1 4.01Å; M436-F574 HydrophobicContact CG-CD2 4.49Å; M436-F574 HydrophobicContact CG-CE1 3.6Å; M436-F574 HydrophobicContact CG-CE2 4.07Å; M436-F574 HydrophobicContact CG-CG 4.45Å; M436-F574 HydrophobicContact CG-CZ 3.64Å; M436-F574 HydrophobicContact SD-CD1 4.43Å; M436-F574 HydrophobicContact SD-CE1 3.44Å; M436-F574 WeakPolarHBondContact SD-CE1 3.36Å; M436-F574 HydrophobicContact SD-CE2 4.03Å; M436-F574 HydrophobicContact SD-CZ 3.2Å; M436-F574 WeakPolarHBondContact SD-CZ 3.42Å; I484-F574 HydrophobicContact CB-CB 4.15Å; I484-F574 PolarHBondContact N-O 2.86Å; I484-F574 PolarHBondContact O-N 2.87Å; R572-F574 HydrophobicContact CB-CD2 4.49Å; R572-F574 HydrophobicContact CB-CE2 3.73Å
575	S	77.9	Confident	79.3	Confident	2 Å²	2	36.8 Å²	36.8	1%	0.014	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	149.3	-179.5	52.3	0	0	0	0	112.7	W434 E435 K577 R579	W434-S575 CarbonylContact C-O 3.55Å; W434-S575 VanDerWaalsContact CA-O 3.25Å; W434-S575 WeakPolarHBondContact CA-O 3.45Å; W434-S575 VanDerWaalsContact CE3-C 3.48Å; E435-S575 PolarHBondContact N-O 3.31Å; E435-S575 PolarHBondContact O-N 3.47Å; E435-S575 VanDerWaalsContact O-N 3.08Å; S575-K577 VanDerWaalsContact C-N 3.25Å; S575-K577 WeakPolarHBondContact CB-O 3.36Å; S575-K577 PolarHBondContact O-N 3.02Å; S575-K577 PolarHBondContact OG-O 3.37Å; S575-R579 VanDerWaalsContact OG-CD 3.29Å; S575-R579 WeakPolarHBondContact OG-CD 3.37Å; S575-R579 WeakPolarHBondContact OG-CG 3.46Å
576	E	66.4	Low	78.6	Confident	21 Å²	21	35 Å²	35	10%	0.098	18%	0.183	C	C	.	.	S	Bend	trans	-71.3	-16.8	176.2	-69.2	-159.5	156.1	0	0	114.2	R432 V433 W434 D473	R432-E576 IonicContact NH1-OE1 2.6Å; R432-E576 PolarHBondContact NH1-OE1 3.11Å; V433-E576 CarbonylContact O-C 3.6Å; W434-E576 HydrophobicContact CD2-CG 4Å; W434-E576 HydrophobicContact CE3-CG 4.3Å; W434-E576 HydrophobicContact CH2-CG 3.92Å; W434-E576 HydrophobicContact CZ2-CG 3.58Å; W434-E576 HydrophobicContact CZ3-CG 4.27Å; D473-E576 VanDerWaalsContact CB-OE2 3.32Å; D473-E576 WeakPolarHBondContact CB-OE2 3.46Å
577	K	65.5	Low	78.1	Confident	58 Å²	58	38.3 Å²	38.3	25%	0.252	20%	0.198	S	C	.	.	S	Bend	trans	-127.3	158.5	177.6	-62.5	-154.3	-165.6	-174.5	0	111.6	D471 S575 R579	D471-K577 HydrophobicContact CB-CD 3.76Å; D471-K577 VanDerWaalsContact CG-NZ 3.29Å; D471-K577 VanDerWaalsContact OD2-CD 3.3Å; D471-K577 WeakPolarHBondContact OD2-CD 3.29Å; D471-K577 WeakPolarHBondContact OD2-CE 3.48Å; D471-K577 IonicContact OD2-NZ 2.69Å; D471-K577 PolarHBondContact OD2-NZ 3.18Å; S575-K577 VanDerWaalsContact C-N 3.25Å; S575-K577 WeakPolarHBondContact CB-O 3.36Å; S575-K577 PolarHBondContact O-N 3.02Å; S575-K577 PolarHBondContact OG-O 3.37Å; K577-R579 WeakPolarHBondContact O-CG 3.48Å; K577-R579 PolarHBondContact O-N 3.18Å
578	P	53.4	Low	77.7	Confident	90 Å²	90	42 Å²	42	58%	0.584	22%	0.216	S	C	*	.			trans	-56.4	133.9	-178.8	-23.9	33.5	0	0	0	111.7	E435	E435-P578 WeakPolarHBondContact OE2-CA 3.15Å
579	R	63.8	Low	77.3	Confident	10 Å²	10	39.3 Å²	39.3	4%	0.038	21%	0.207	C	C	.	.			trans	-128.8	135.7	-179.5	-68.4	-171.7	-178.8	156.9	7.8	111.8	K78 E435 T468 T482 S575 K577 T581	K78-R579 PolarHBondContact NZ-O 2.91Å; E435-R579 PolarHBondContact OE2-N 3.48Å; T468-R579 WeakPolarHBondContact O-CD 3.37Å; T468-R579 VanDerWaalsContact O-CG 3.22Å; T468-R579 WeakPolarHBondContact O-CG 3.38Å; T468-R579 PolarHBondContact O-NE 3.09Å; T468-R579 VanDerWaalsContact O-NE 3.1Å; T482-R579 PolarHBondContact O-NH1 3.46Å; T482-R579 PolarHBondContact O-NH2 2.99Å; S575-R579 VanDerWaalsContact OG-CD 3.29Å; S575-R579 WeakPolarHBondContact OG-CD 3.37Å; S575-R579 WeakPolarHBondContact OG-CG 3.46Å; K577-R579 WeakPolarHBondContact O-CG 3.48Å; K577-R579 PolarHBondContact O-N 3.18Å; R579-T581 PolarHBondContact O-N 2.91Å
580	T	55.7	Low	76.6	Confident	93 Å²	93	42.3 Å²	42.3	57%	0.571	22%	0.221	S	C	*	.			trans	-88.3	106.5	163.6	-51.8	0	0	0	0	108
581	T	63.5	Low	76	Confident	5 Å²	5	45.6 Å²	45.6	3%	0.031	24%	0.241	C	C	.	.			trans	-88.9	145.7	161.5	58.1	0	0	0	0	109.2	C437 E439 V466 V467 I573 R579	C437-T581 HydrophobicContact CB-CG2 3.99Å; C437-T581 PolarHBondContact SG-OG1 3.46Å; E439-T581 VanDerWaalsContact OE1-CB 3.27Å; E439-T581 WeakPolarHBondContact OE1-CB 3.3Å; E439-T581 PolarHBondContact OE1-OG1 3.03Å; V466-T581 VanDerWaalsContact O-CA 3.28Å; V466-T581 WeakPolarHBondContact O-CA 3.42Å; V467-T581 HydrophobicContact CG2-CG2 4.43Å; I573-T581 HydrophobicContact CB-CG2 4.47Å; I573-T581 HydrophobicContact CD1-CG2 3.68Å; I573-T581 HydrophobicContact CG2-CG2 4.46Å; R579-T581 PolarHBondContact O-N 2.91Å
582	Q	73.5	Confident	74.9	Confident	137 Å²	137	54 Å²	54	64%	0.64	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-148.9	135.3	173.5	-171.3	-178.8	-3.1	0	0	108.4	V466 L584	V466-Q582 PolarHBondContact N-O 3.18Å; V466-Q582 PolarHBondContact O-N 3.28Å; Q582-L584 PolarHBondContact O-N 2.74Å
583	E	78.1	Confident	74	Confident	51 Å²	51	57 Å²	57	24%	0.238	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	123.3	165.7	-170.1	-179.8	179.9	0	0	109.1	Q464 Y465 D585	Q464-E583 CarbonylContact O-C 3.46Å; Q464-E583 WeakPolarHBondContact O-CA 3.35Å; Y465-E583 HydrophobicContact CD1-CB 4.06Å; Y465-E583 HydrophobicContact CD1-CG 4.35Å; Y465-E583 HydrophobicContact CE1-CB 3.9Å; Y465-E583 HydrophobicContact CE1-CG 4Å; E583-D585 PolarHBondContact O-N 2.92Å
584	L	77.9	Confident	73.1	Confident	21 Å²	21	59.7 Å²	59.7	11%	0.11	32%	0.316	C	S	.	.			trans	-82.3	90.8	172.7	-166.2	67.8	0	0	0	107.6	Q464 V466 G518 T519 L520 Q582	Q464-L584 HydrophobicContact CB-CB 4.03Å; Q464-L584 HydrophobicContact CB-CD2 4.47Å; Q464-L584 PolarHBondContact O-N 2.81Å; V466-L584 HydrophobicContact CG2-CB 4.02Å; V466-L584 HydrophobicContact CG2-CD1 4.02Å; V466-L584 HydrophobicContact CG2-CD2 4.15Å; V466-L584 HydrophobicContact CG2-CG 4.31Å; G518-L584 WeakPolarHBondContact O-CD1 3.4Å; G518-L584 WeakPolarHBondContact O-CD2 3.38Å; G518-L584 VanDerWaalsContact O-CG 3.27Å; G518-L584 WeakPolarHBondContact O-CG 3.46Å; T519-L584 VanDerWaalsContact CG2-O 3.3Å; T519-L584 WeakPolarHBondContact CG2-O 3Å; L520-L584 HydrophobicContact CG-CD2 4.07Å; Q582-L584 PolarHBondContact O-N 2.74Å
585	D	79.4	Confident	72	Confident	35 Å²	35	60.6 Å²	60.6	19%	0.187	32%	0.321	C	S	.	.			trans	-118.1	168.1	172.2	-156	-6.8	0	0	0	109.8	E583 N717 N718	E583-D585 PolarHBondContact O-N 2.92Å; D585-N717 WeakPolarHBondContact OD1-CA 3.17Å; D585-N717 WeakPolarHBondContact OD2-CB 3.41Å; D585-N718 PolarHBondContact OD1-N 3.26Å; D585-N718 WeakPolarHBondContact OD2-CB 3.15Å; D585-N718 PolarHBondContact OD2-N 2.86Å
586	E	80.5	Confident	70.7	Confident	19 Å²	19	66.6 Å²	66.6	9%	0.089	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-75.5	136.7	176.2	-64.2	-162.4	170.2	0	0	111.2	T519 K710 S715 N717	T519-E586 HydrophobicContact CG2-CG 3.96Å; T519-E586 PolarHBondContact OG1-OE1 3.27Å; E586-K710 WeakPolarHBondContact OE1-CE 3.33Å; E586-K710 IonicContact OE1-NZ 2.73Å; E586-K710 PolarHBondContact OE1-NZ 3.48Å; E586-S715 PolarHBondContact OE2-OG 2.72Å; E586-N717 VanDerWaalsContact O-CB 3.26Å; E586-N717 WeakPolarHBondContact O-CB 3.48Å
587	E	81.3	Confident	69.9	Low	175 Å²	175	72.4 Å²	72.4	82%	0.818	38%	0.384	S	S	*	.	P	Polyproline II helix	trans	-69	135.7	167.9	-71.5	-170.8	169.9	0	0	109.8	G589 S715	E587-G589 PolarHBondContact O-N 3.21Å; E587-S715 WeakPolarHBondContact O-CB 3.12Å; E587-S715 PolarHBondContact O-OG 3.21Å
588	I	84.4	Confident	69.3	Low	86 Å²	86	74.8 Å²	74.8	44%	0.441	40%	0.399	S	S	.	.	S	Bend	trans	-71	122.3	177.4	-63.7	173.9	0	0	0	108.6	S715 N717 T720 F751	I588-S715 WeakPolarHBondContact CA-O 3.14Å; I588-N717 HydrophobicContact CG1-CB 4.09Å; I588-T720 VanDerWaalsContact CD1-OG1 3.29Å; I588-T720 WeakPolarHBondContact CD1-OG1 3.28Å; I588-F751 HydrophobicContact CG2-CE1 3.72Å; I588-F751 HydrophobicContact CG2-CZ 3.76Å
589	G	84.7	Confident	69.2	Low	22 Å²	22	77.7 Å²	77.7	23%	0.227	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	177	178.2	178	0	0	0	0	0	114.1	E587 S715	E587-G589 PolarHBondContact O-N 3.21Å; G589-S715 PolarHBondContact N-O 3.18Å; G589-S715 PolarHBondContact O-N 3.18Å
590	E	81.1	Confident	68.5	Low	63 Å²	63	85.2 Å²	85.2	29%	0.294	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	126.5	170.8	-72.6	174.6	100	0	0	110	G713 F714 F751 K755	E590-G713 CarbonylContact C-O 3.56Å; E590-G713 VanDerWaalsContact CA-O 3.24Å; E590-G713 WeakPolarHBondContact CA-O 3.33Å; E590-F714 HydrophobicContact CG-CD1 4.25Å; E590-F714 HydrophobicContact CG-CE1 4.37Å; E590-F751 HydrophobicContact CG-CB 4.13Å; E590-F751 HydrophobicContact CG-CD1 4.41Å; E590-F751 HydrophobicContact CG-CD2 3.79Å; E590-F751 HydrophobicContact CG-CE2 4.28Å; E590-F751 HydrophobicContact CG-CG 3.88Å; E590-F751 WeakPolarHBondContact OE2-CB 3.2Å; E590-K755 WeakPolarHBondContact OE2-CE 3.44Å; E590-K755 IonicContact OE2-NZ 2.62Å; E590-K755 PolarHBondContact OE2-NZ 3.45Å
591	T	78	Confident	68.4	Low	69 Å²	69	81.6 Å²	81.6	42%	0.423	43%	0.429	S	S	.	.			trans	-108.1	161.9	174.6	58.1	0	0	0	0	110.3	P593 G713	T591-P593 WeakPolarHBondContact O-CD 3.43Å; T591-G713 PolarHBondContact N-O 3.32Å; T591-G713 VanDerWaalsContact O-CA 3.29Å; T591-G713 WeakPolarHBondContact O-CA 3.47Å; T591-G713 PolarHBondContact OG1-O 2.86Å
592	E	70.9	Confident	68.2	Low	177 Å²	177	84 Å²	84	83%	0.827	44%	0.443	S	S	*	.			trans	-59.7	128.1	171.4	-74.2	-166.1	167.6	0	0	110.4	T594	E592-T594 PolarHBondContact O-N 2.84Å
593	P	69.8	Low	68	Low	61 Å²	61	79.3 Å²	79.3	40%	0.396	42%	0.424	S	S	.	.			trans	-59.5	136.1	177.6	-22.9	32.2	0	0	0	111	T591 L595 H711	T591-P593 WeakPolarHBondContact O-CD 3.43Å; P593-L595 HydrophobicContact CB-CD1 3.56Å; P593-L595 HydrophobicContact CB-CG 3.93Å; P593-L595 HydrophobicContact CG-CD1 4.44Å; P593-L595 PolarHBondContact O-N 2.79Å; P593-L595 VanDerWaalsContact O-N 3.16Å; P593-H711 WeakPolarHBondContact CA-O 3.35Å
594	T	67.8	Low	67.8	Low	59 Å²	59	84.2 Å²	84.2	36%	0.362	44%	0.444	S	S	.	.	G	3₁₀ helix	trans	-83.2	13.9	-179.1	44.4	0	0	0	0	113.3	E592 N596 L597 H711	E592-T594 PolarHBondContact O-N 2.84Å; T594-N596 PolarHBondContact O-N 2.9Å; T594-L597 HydrophobicContact CG2-CD1 4.05Å; T594-L597 PolarHBondContact O-N 2.88Å; T594-H711 PolarHBondContact N-O 2.75Å; T594-H711 WeakPolarHBondContact OG1-CA 3.47Å; T594-H711 PolarHBondContact OG1-ND1 2.71Å; T594-H711 PolarHBondContact OG1-O 3.2Å
595	L	57.9	Low	67.9	Low	19 Å²	19	88.7 Å²	88.7	10%	0.099	48%	0.475	C	S	.	.	G	3₁₀ helix	trans	-57.2	-19.9	-178.4	-65.1	160.4	0	0	0	113.9	P593 V684 H711	P593-L595 HydrophobicContact CB-CD1 3.56Å; P593-L595 HydrophobicContact CB-CG 3.93Å; P593-L595 HydrophobicContact CG-CD1 4.44Å; P593-L595 PolarHBondContact O-N 2.79Å; P593-L595 VanDerWaalsContact O-N 3.16Å; L595-V684 HydrophobicContact CD1-CB 4.47Å; L595-V684 HydrophobicContact CD1-CG1 3.34Å; L595-V684 HydrophobicContact CD1-CG2 4.33Å; L595-V684 HydrophobicContact CD2-CG1 3.92Å; L595-V684 HydrophobicContact CG-CG1 4.27Å; L595-H711 WeakPolarHBondContact CD2-NE2 3.32Å
596	N	50.3	Low	68	Low	128 Å²	128	88.1 Å²	88.1	68%	0.684	47%	0.471	S	S	*	.	G	3₁₀ helix	trans	-91.9	1.9	-173.2	-65.5	-26.3	0	0	0	114.7	T594	T594-N596 PolarHBondContact O-N 2.9Å
597	L	51.2	Low	68.3	Low	142 Å²	142	91 Å²	91	74%	0.743	49%	0.49	S	S	*	.	S	Bend	trans	-86.6	-22.2	-172.6	-67.5	173	0	0	0	114.4	T594	T594-L597 HydrophobicContact CG2-CD1 4.05Å; T594-L597 PolarHBondContact O-N 2.88Å
598	D	51.8	Low	68.5	Low	108 Å²	108	89.1 Å²	89.1	58%	0.578	49%	0.486	S	S	*	.	S	Bend	trans	-128.9	128.6	176.8	-100.2	-34.1	0	0	0	110.5	N600 T601 V602	D598-N600 PolarHBondContact O-N 3.31Å; D598-T601 VanDerWaalsContact CB-OG1 3.27Å; D598-T601 WeakPolarHBondContact CB-OG1 3.27Å; D598-T601 PolarHBondContact O-N 2.64Å; D598-T601 PolarHBondContact O-OG1 2.94Å; D598-V602 PolarHBondContact O-N 3.23Å
599	D	51.4	Low	68.7	Low	152 Å²	152	90.3 Å²	90.3	81%	0.813	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-22	-175.6	-121.8	-5.4	0	0	0	113.1
600	N	49.7	Very low	68.8	Low	167 Å²	167	93.5 Å²	93.5	89%	0.893	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-14.2	177.9	-75.4	-31.2	0	0	0	114.1	D598	D598-N600 PolarHBondContact O-N 3.31Å
601	T	52.5	Low	69.1	Low	18 Å²	18	91.4 Å²	91.4	11%	0.11	50%	0.498	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	-13.6	-177.9	26.9	0	0	0	0	113.8	D598 V603	D598-T601 VanDerWaalsContact CB-OG1 3.27Å; D598-T601 WeakPolarHBondContact CB-OG1 3.27Å; D598-T601 PolarHBondContact O-N 2.64Å; D598-T601 PolarHBondContact O-OG1 2.94Å; T601-V603 PolarHBondContact O-N 3.14Å
602	V	59.6	Low	69.6	Low	55 Å²	55	94.5 Å²	94.5	33%	0.333	51%	0.507	S	S	.	.			trans	-64.9	107.8	176.6	-178.4	0	0	0	0	109.6	D598 K604	D598-V602 PolarHBondContact O-N 3.23Å; V602-K604 PolarHBondContact O-N 2.75Å
603	V	68.8	Low	70.4	Confident	38 Å²	38	88.9 Å²	88.9	23%	0.23	49%	0.491	C	S	.	.			trans	-68.7	102.1	173.8	179.7	0	0	0	0	108.4	T601 R683 V684	T601-V603 PolarHBondContact O-N 3.14Å; V603-R683 HydrophobicContact CG1-CB 3.79Å; V603-V684 HydrophobicContact CB-CG2 4.2Å; V603-V684 HydrophobicContact CG1-CG2 4.49Å; V603-V684 HydrophobicContact CG2-CG2 4.2Å
604	K	75.6	Confident	71.2	Confident	155 Å²	155	86.7 Å²	86.7	67%	0.674	48%	0.476	S	S	*	.	P	Polyproline II helix	trans	-61	141.3	178.8	-68	-179	-178.7	177.8	0	110.9	V602 R683	V602-K604 PolarHBondContact O-N 2.75Å; K604-R683 PolarHBondContact O-NH1 3.11Å; K604-R683 PolarHBondContact O-NH2 3.19Å
605	P	79.7	Confident	72.2	Confident	115 Å²	115	86.7 Å²	86.7	75%	0.747	47%	0.472	S	S	*	.	P	Polyproline II helix	trans	-52.1	145.6	170.7	-22.5	31.3	0	0	0	110.7	T607	P605-T607 PolarHBondContact O-N 2.49Å
606	L	81.8	Confident	73.6	Confident	22 Å²	22	93.1 Å²	93.1	12%	0.115	50%	0.499	C	S	.	.	P	Polyproline II helix	trans	-60.6	135.4	174.6	-69.1	167.4	0	0	0	109.9	Q610 V611 L614 D680	L606-Q610 HydrophobicContact CB-CB 4.32Å; L606-Q610 HydrophobicContact CD2-CB 3.89Å; L606-V611 HydrophobicContact CB-CG2 3.69Å; L606-V611 HydrophobicContact CD1-CG2 4.32Å; L606-L614 HydrophobicContact CD1-CD2 4.2Å; L606-D680 WeakPolarHBondContact CD1-OD1 3.37Å
607	T	85.9	Confident	75.1	Confident	79 Å²	79	89.1 Å²	89.1	49%	0.485	48%	0.484	S	S	.	.	P	Polyproline II helix	trans	-69.4	155.4	168.1	59.1	0	0	0	0	110.3	P605 V609 Q610 V611	P605-T607 PolarHBondContact O-N 2.49Å; T607-V609 PolarHBondContact O-N 2.95Å; T607-V609 VanDerWaalsContact O-N 3.15Å; T607-Q610 WeakPolarHBondContact O-CA 3.49Å; T607-Q610 WeakPolarHBondContact O-CB 3.08Å; T607-Q610 PolarHBondContact O-N 2.94Å; T607-Q610 VanDerWaalsContact OG1-CG 3.28Å; T607-Q610 WeakPolarHBondContact OG1-CG 3.42Å; T607-Q610 PolarHBondContact OG1-N 3.37Å; T607-Q610 PolarHBondContact OG1-OE1 2.97Å; T607-V611 PolarHBondContact O-N 2.87Å
608	D	85.9	Confident	77	Confident	137 Å²	137	82.5 Å²	82.5	73%	0.733	45%	0.449	S	S	*	.	H	α-helix	trans	-54.4	-37.8	179.5	-63.2	-32.9	0	0	0	112.4	Q610 V611 E612	D608-Q610 VanDerWaalsContact C-N 3.33Å; D608-Q610 PolarHBondContact O-N 2.8Å; D608-V611 PolarHBondContact O-N 2.93Å; D608-E612 PolarHBondContact O-N 2.79Å
609	V	88.3	Confident	78.7	Confident	110 Å²	110	81.9 Å²	81.9	67%	0.667	45%	0.446	S	S	*	.	H	α-helix	trans	-62.4	-39.7	175.9	-179.4	0	0	0	0	111.8	T607 A613	T607-V609 PolarHBondContact O-N 2.95Å; T607-V609 VanDerWaalsContact O-N 3.15Å; V609-A613 WeakPolarHBondContact O-CB 3.49Å; V609-A613 PolarHBondContact O-N 3.29Å
610	Q	86.2	Confident	80.4	Confident	90 Å²	90	83.5 Å²	83.5	42%	0.421	45%	0.445	S	S	.	.	H	α-helix	trans	-71.6	-36	176.7	-69.8	169.1	-50.1	0	0	111.6	L606 T607 D608 A613 L614	L606-Q610 HydrophobicContact CB-CB 4.32Å; L606-Q610 HydrophobicContact CD2-CB 3.89Å; T607-Q610 WeakPolarHBondContact O-CA 3.49Å; T607-Q610 WeakPolarHBondContact O-CB 3.08Å; T607-Q610 PolarHBondContact O-N 2.94Å; T607-Q610 VanDerWaalsContact OG1-CG 3.28Å; T607-Q610 WeakPolarHBondContact OG1-CG 3.42Å; T607-Q610 PolarHBondContact OG1-N 3.37Å; T607-Q610 PolarHBondContact OG1-OE1 2.97Å; D608-Q610 VanDerWaalsContact C-N 3.33Å; D608-Q610 PolarHBondContact O-N 2.8Å; Q610-A613 PolarHBondContact O-N 3.39Å; Q610-L614 WeakPolarHBondContact O-CB 3.17Å; Q610-L614 PolarHBondContact O-N 3.02Å
611	V	88.2	Confident	82.1	Confident	19 Å²	19	77.6 Å²	77.6	12%	0.115	42%	0.416	C	S	.	.	H	α-helix	trans	-64.6	-43.4	174.6	178.6	0	0	0	0	110.6	L606 T607 D608 A613 L614 Q615 F672	L606-V611 HydrophobicContact CB-CG2 3.69Å; L606-V611 HydrophobicContact CD1-CG2 4.32Å; T607-V611 PolarHBondContact O-N 2.87Å; D608-V611 PolarHBondContact O-N 2.93Å; V611-A613 PolarHBondContact O-N 2.96Å; V611-L614 PolarHBondContact O-N 3.13Å; V611-Q615 WeakPolarHBondContact O-CB 3.34Å; V611-Q615 PolarHBondContact O-N 3.47Å; V611-F672 HydrophobicContact CG1-CZ 4.37Å
612	E	88.7	Confident	83.6	Confident	134 Å²	134	76.8 Å²	76.8	63%	0.626	41%	0.411	S	S	*	.	H	α-helix	trans	-61.9	-41.5	174.1	-87.8	-167.7	154.1	0	0	112.6	D608 L614 Q615 K616	D608-E612 PolarHBondContact O-N 2.79Å; E612-L614 VanDerWaalsContact C-N 3.33Å; E612-Q615 PolarHBondContact O-N 3.5Å; E612-K616 PolarHBondContact O-N 3.41Å
613	A	86.8	Confident	84.7	Confident	59 Å²	59	76.6 Å²	76.6	49%	0.488	42%	0.42	S	S	.	.	H	α-helix	trans	-64	-40.4	175.9	0	0	0	0	0	111.5	V609 Q610 V611 K616 A617	V609-A613 WeakPolarHBondContact O-CB 3.49Å; V609-A613 PolarHBondContact O-N 3.29Å; Q610-A613 PolarHBondContact O-N 3.39Å; V611-A613 PolarHBondContact O-N 2.96Å; A613-K616 PolarHBondContact O-N 2.88Å; A613-A617 PolarHBondContact O-N 2.74Å
614	L	86.9	Confident	85.3	Confident	14 Å²	14	83.5 Å²	83.5	7%	0.073	46%	0.455	C	S	.	.	H	α-helix	trans	-65.2	-43.3	176.3	-169.5	69.6	0	0	0	111.3	L606 Q610 V611 E612 A617 F618 F672 F675 W679	L606-L614 HydrophobicContact CD1-CD2 4.2Å; Q610-L614 WeakPolarHBondContact O-CB 3.17Å; Q610-L614 PolarHBondContact O-N 3.02Å; V611-L614 PolarHBondContact O-N 3.13Å; E612-L614 VanDerWaalsContact C-N 3.33Å; L614-A617 PolarHBondContact O-N 3.45Å; L614-F618 WeakPolarHBondContact O-CB 3.08Å; L614-F618 PolarHBondContact O-N 3.46Å; L614-F672 HydrophobicContact CG-CE2 4.4Å; L614-F675 HydrophobicContact CD1-CE1 3.73Å; L614-F675 HydrophobicContact CD1-CZ 4.15Å; L614-F675 HydrophobicContact CD2-CE1 4.19Å; L614-F675 HydrophobicContact CG-CE1 3.8Å; L614-W679 HydrophobicContact CD1-CD2 3.61Å; L614-W679 HydrophobicContact CD1-CE3 3.92Å; L614-W679 HydrophobicContact CD1-CG 4.04Å; L614-W679 HydrophobicContact CD1-CH2 4.14Å; L614-W679 HydrophobicContact CD1-CZ2 3.89Å; L614-W679 HydrophobicContact CD1-CZ3 4.15Å; L614-W679 HydrophobicContact CD2-CB 4.06Å; L614-W679 HydrophobicContact CD2-CD2 4.25Å; L614-W679 HydrophobicContact CD2-CG 3.77Å
615	Q	88.9	Confident	85.7	Confident	59 Å²	59	80.6 Å²	80.6	28%	0.276	45%	0.447	S	S	.	.	H	α-helix	trans	-60.9	-44.2	174.2	-176.6	77	73.4	0	0	111.7	V611 E612 A617 F618 N619 F672	V611-Q615 WeakPolarHBondContact O-CB 3.34Å; V611-Q615 PolarHBondContact O-N 3.47Å; E612-Q615 PolarHBondContact O-N 3.5Å; Q615-A617 VanDerWaalsContact C-N 3.3Å; Q615-A617 PolarHBondContact O-N 2.82Å; Q615-F618 PolarHBondContact O-N 3.42Å; Q615-N619 PolarHBondContact NE2-OD1 3.11Å; Q615-N619 WeakPolarHBondContact O-CB 3.03Å; Q615-N619 PolarHBondContact O-N 2.89Å; Q615-N619 PolarHBondContact O-OD1 3.21Å; Q615-F672 HydrophobicContact CB-CD2 4.49Å; Q615-F672 HydrophobicContact CB-CE1 4.32Å; Q615-F672 HydrophobicContact CB-CE2 3.79Å; Q615-F672 HydrophobicContact CB-CZ 3.66Å; Q615-F672 VanDerWaalsContact CD-CG 3.48Å; Q615-F672 HydrophobicContact CG-CE2 4.34Å; Q615-F672 HydrophobicContact CG-CZ 4.3Å; Q615-F672 VanDerWaalsContact NE2-CD2 3.27Å
616	K	86.6	Confident	86.1	Confident	154 Å²	154	77 Å²	77	67%	0.67	43%	0.431	S	S	*	.	H	α-helix	trans	-62.6	-38.7	175.8	-85.5	179.9	176.9	169	0	112.2	E612 A613 K620	E612-K616 PolarHBondContact O-N 3.41Å; A613-K616 PolarHBondContact O-N 2.88Å; K616-K620 WeakPolarHBondContact O-CB 3.48Å; K616-K620 PolarHBondContact O-N 3.23Å
617	A	83.4	Confident	86.6	Confident	45 Å²	45	78.4 Å²	78.4	37%	0.372	44%	0.437	S	S	.	.	H	α-helix	trans	-66.3	-44.4	176	0	0	0	0	0	111.2	A613 L614 Q615 K620	A613-A617 PolarHBondContact O-N 2.74Å; L614-A617 PolarHBondContact O-N 3.45Å; Q615-A617 VanDerWaalsContact C-N 3.3Å; Q615-A617 PolarHBondContact O-N 2.82Å; A617-K620 PolarHBondContact O-N 3.03Å
618	F	89.4	Confident	86.9	Confident	3 Å²	3	74.7 Å²	74.7	1%	0.013	41%	0.414	C	S	.	.	H	α-helix	trans	-58.1	-55.1	174.9	179.4	-87.4	0	0	0	111.3	L614 Q615 K620 V621 A622 G626 I628 L670 F672 F675	L614-F618 WeakPolarHBondContact O-CB 3.08Å; L614-F618 PolarHBondContact O-N 3.46Å; Q615-F618 PolarHBondContact O-N 3.42Å; F618-K620 PolarHBondContact O-N 2.89Å; F618-V621 PolarHBondContact O-N 2.81Å; F618-A622 HydrophobicContact CD1-CB 3.86Å; F618-A622 HydrophobicContact CE1-CB 3.53Å; F618-A622 HydrophobicContact CG-CB 4.48Å; F618-A622 HydrophobicContact CZ-CB 3.92Å; F618-A622 VanDerWaalsContact O-CB 3.31Å; F618-A622 WeakPolarHBondContact O-CB 3.37Å; F618-A622 PolarHBondContact O-N 3.47Å; F618-G626 WeakPolarHBondContact CE1-O 3.33Å; F618-I628 HydrophobicContact CD2-CD1 4.01Å; F618-I628 HydrophobicContact CD2-CG1 4.47Å; F618-I628 HydrophobicContact CD2-CG2 3.96Å; F618-I628 HydrophobicContact CE2-CB 4.27Å; F618-I628 HydrophobicContact CE2-CD1 3.73Å; F618-I628 HydrophobicContact CE2-CG1 3.76Å; F618-I628 HydrophobicContact CE2-CG2 3.63Å; F618-I628 HydrophobicContact CZ-CG2 4.04Å; F618-L670 WeakPolarHBondContact CZ-O 3.06Å; F618-F672 HydrophobicContact CB-CD2 3.79Å; F618-F672 HydrophobicContact CB-CE2 4.13Å; F618-F672 HydrophobicContact CD1-CB 4.08Å; F618-F672 AromaticContact CD1-CD2 3.92Å; F618-F672 HydrophobicContact CD1-CD2 3.92Å; F618-F672 HydrophobicContact CD1-CG 4.47Å; F618-F672 HydrophobicContact CD2-CD2 4.07Å; F618-F672 HydrophobicContact CE1-CB 3.93Å; F618-F672 HydrophobicContact CG-CB 4.48Å; F618-F672 AromaticContact CG-CD2 3.66Å; F618-F672 HydrophobicContact CG-CD2 3.66Å; F618-F672 HydrophobicContact CG-CE2 4.47Å; F618-F672 HydrophobicContact CZ-CB 4.17Å; F618-F675 HydrophobicContact CB-CD1 4.29Å; F618-F675 HydrophobicContact CB-CE1 4.3Å; F618-F675 HydrophobicContact CD2-CB 3.9Å; F618-F675 AromaticContact CD2-CD1 3.49Å; F618-F675 HydrophobicContact CD2-CD1 3.49Å; F618-F675 VanDerWaalsContact CD2-CD1 3.49Å; F618-F675 HydrophobicContact CD2-CD2 4.44Å; F618-F675 HydrophobicContact CD2-CE1 4.09Å; F618-F675 AromaticContact CD2-CG 3.68Å; F618-F675 HydrophobicContact CD2-CG 3.68Å; F618-F675 HydrophobicContact CE2-CB 3.75Å; F618-F675 HydrophobicContact CE2-CD1 4.24Å; F618-F675 HydrophobicContact CE2-CG 4.01Å; F618-F675 HydrophobicContact CG-CD1 4.27Å
619	N	89.1	Confident	87.2	Confident	95 Å²	95	70.7 Å²	70.7	51%	0.508	39%	0.393	S	S	.	.	H	α-helix	trans	-62.1	-21.9	-178.3	-67.1	2.6	0	0	0	113.5	Q615 V621	Q615-N619 PolarHBondContact NE2-OD1 3.11Å; Q615-N619 WeakPolarHBondContact O-CB 3.03Å; Q615-N619 PolarHBondContact O-N 2.89Å; Q615-N619 PolarHBondContact O-OD1 3.21Å; N619-V621 VanDerWaalsContact C-N 3.3Å
620	K	85.9	Confident	87.5	Confident	185 Å²	185	66.2 Å²	66.2	80%	0.804	37%	0.367	S	S	*	.	H	α-helix	trans	-74.7	-25.5	176.6	-173	178.4	177.5	-173.7	0	112	K616 A617 F618	K616-K620 WeakPolarHBondContact O-CB 3.48Å; K616-K620 PolarHBondContact O-N 3.23Å; A617-K620 PolarHBondContact O-N 3.03Å; F618-K620 PolarHBondContact O-N 2.89Å
621	V	85.9	Confident	87.8	Confident	44 Å²	44	65.1 Å²	65.1	27%	0.267	36%	0.364	S	S	.	.	H	α-helix	trans	-103.5	-40	-176.1	-176.2	0	0	0	0	111.3	F618 N619 G623 E632 I636	F618-V621 PolarHBondContact O-N 2.81Å; N619-V621 VanDerWaalsContact C-N 3.3Å; V621-G623 PolarHBondContact O-N 3Å; V621-E632 HydrophobicContact CG1-CB 3.63Å; V621-E632 HydrophobicContact CG1-CG 3.84Å; V621-I636 HydrophobicContact CB-CD1 3.81Å; V621-I636 HydrophobicContact CB-CG1 3.92Å; V621-I636 HydrophobicContact CG1-CD1 3.91Å; V621-I636 HydrophobicContact CG1-CG1 3.93Å; V621-I636 HydrophobicContact CG2-CD1 4.06Å; V621-I636 HydrophobicContact CG2-CG1 3.64Å
622	A	84.3	Confident	88.1	Confident	1 Å²	1	66.5 Å²	66.5	1%	0.008	37%	0.369	C	S	.	.	S	Bend	trans	-67.1	22.3	-177.1	0	0	0	0	0	115.9	F618 G626 E627 I628	F618-A622 HydrophobicContact CD1-CB 3.86Å; F618-A622 HydrophobicContact CE1-CB 3.53Å; F618-A622 HydrophobicContact CG-CB 4.48Å; F618-A622 HydrophobicContact CZ-CB 3.92Å; F618-A622 VanDerWaalsContact O-CB 3.31Å; F618-A622 WeakPolarHBondContact O-CB 3.37Å; F618-A622 PolarHBondContact O-N 3.47Å; A622-G626 WeakPolarHBondContact O-CA 3.28Å; A622-G626 PolarHBondContact O-N 3.45Å; A622-E627 VanDerWaalsContact CA-O 3.29Å; A622-E627 WeakPolarHBondContact CA-O 3.34Å; A622-E627 WeakPolarHBondContact CB-O 3.04Å; A622-I628 HydrophobicContact CB-CG2 3.6Å
623	G	81.5	Confident	88.3	Confident	51 Å²	51	60.1 Å²	60.1	53%	0.526	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.3	-145.3	171.6	0	0	0	0	0	117	V621	V621-G623 PolarHBondContact O-N 3Å
624	D	81.4	Confident	88.6	Confident	182 Å²	182	60.5 Å²	60.5	97%	0.973	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-15.1	176.5	-68.4	-35.8	0	0	0	112.4
625	D	85.1	Confident	88.7	Confident	95 Å²	95	64.2 Å²	64.2	51%	0.508	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-21.8	178.7	51.2	-3.7	0	0	0	112.9	E627	D625-E627 PolarHBondContact O-N 2.8Å
626	G	88	Confident	88.7	Confident	40 Å²	40	62.2 Å²	62.2	41%	0.412	34%	0.34	S	S	.	.	S	Bend	trans	76.1	12.7	174.4	0	0	0	0	0	113.8	F618 A622	F618-G626 WeakPolarHBondContact CE1-O 3.33Å; A622-G626 WeakPolarHBondContact O-CA 3.28Å; A622-G626 PolarHBondContact O-N 3.45Å
627	E	91.5	Very high	88.9	Confident	51 Å²	51	54.9 Å²	54.9	24%	0.238	31%	0.308	C	S	.	.			trans	-126.4	161.6	177.2	-59.8	-171.3	150.8	0	0	109.4	A622 D625 M669 L670	A622-E627 VanDerWaalsContact CA-O 3.29Å; A622-E627 WeakPolarHBondContact CA-O 3.34Å; A622-E627 WeakPolarHBondContact CB-O 3.04Å; D625-E627 PolarHBondContact O-N 2.8Å; E627-M669 HydrophobicContact CB-CB 3.82Å; E627-M669 HydrophobicContact CB-SD 4.11Å; E627-L670 CarbonylContact C-O 3.46Å; E627-L670 VanDerWaalsContact CA-O 3.32Å; E627-L670 WeakPolarHBondContact CA-O 3.45Å
628	I	92.3	Very high	89.3	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	30%	0.299	C	S	.	.	B	Isolated β-bridge	trans	-117.3	133.2	177.3	59.7	178	0	0	0	111.6	F618 A622 E632 L633 I636 M669 L670 F675	F618-I628 HydrophobicContact CD2-CD1 4.01Å; F618-I628 HydrophobicContact CD2-CG1 4.47Å; F618-I628 HydrophobicContact CD2-CG2 3.96Å; F618-I628 HydrophobicContact CE2-CB 4.27Å; F618-I628 HydrophobicContact CE2-CD1 3.73Å; F618-I628 HydrophobicContact CE2-CG1 3.76Å; F618-I628 HydrophobicContact CE2-CG2 3.63Å; F618-I628 HydrophobicContact CZ-CG2 4.04Å; A622-I628 HydrophobicContact CB-CG2 3.6Å; I628-E632 VanDerWaalsContact CA-OE2 3.31Å; I628-E632 WeakPolarHBondContact CA-OE2 3.49Å; I628-E632 HydrophobicContact CB-CB 4.24Å; I628-L633 HydrophobicContact CD1-CB 4.34Å; I628-L633 HydrophobicContact CD1-CD1 3.86Å; I628-I636 HydrophobicContact CD1-CD1 4.14Å; I628-I636 HydrophobicContact CG2-CD1 4.14Å; I628-M669 CarbonylContact O-C 3.57Å; I628-M669 VanDerWaalsContact O-CA 3.29Å; I628-M669 WeakPolarHBondContact O-CA 3.43Å; I628-M669 WeakPolarHBondContact O-CB 3.45Å; I628-L670 HydrophobicContact CD1-CB 4.29Å; I628-L670 HydrophobicContact CD1-CD1 4.42Å; I628-L670 HydrophobicContact CG1-CB 3.77Å; I628-L670 PolarHBondContact N-O 3.25Å; I628-L670 PolarHBondContact O-N 2.94Å; I628-F675 HydrophobicContact CD1-CB 4.23Å; I628-F675 HydrophobicContact CD1-CD2 3.42Å; I628-F675 VanDerWaalsContact CD1-CD2 3.42Å; I628-F675 HydrophobicContact CD1-CE2 3.95Å; I628-F675 HydrophobicContact CD1-CG 3.94Å
629	D	93.2	Very high	89.1	Confident	54 Å²	54	57.6 Å²	57.6	29%	0.289	32%	0.321	S	S	.	.			trans	-86.4	-177.8	172.9	80	19.8	0	0	0	112.8	D631 E632 L633 M669	D629-D631 PolarHBondContact O-N 3.31Å; D629-D631 WeakPolarHBondContact OD1-CA 3.39Å; D629-D631 PolarHBondContact OD1-N 3.37Å; D629-E632 PolarHBondContact N-OE2 2.77Å; D629-E632 WeakPolarHBondContact OD1-CB 3.21Å; D629-E632 PolarHBondContact OD1-N 3.12Å; D629-L633 WeakPolarHBondContact O-CB 3.13Å; D629-L633 PolarHBondContact O-N 3.43Å; D629-M669 HydrophobicContact CB-CE 4.47Å; D629-M669 HydrophobicContact CB-CG 4.45Å
630	A	93.5	Very high	88.9	Confident	15 Å²	15	55 Å²	55	12%	0.124	31%	0.312	C	S	.	.	H	α-helix	trans	-67.2	-32.8	-178.3	0	0	0	0	0	114	R634 L652 C655 R656 I659	A630-R634 WeakPolarHBondContact O-CB 3.3Å; A630-R634 PolarHBondContact O-N 3.12Å; A630-R634 VanDerWaalsContact O-N 3.16Å; A630-L652 HydrophobicContact CB-CD1 3.77Å; A630-C655 HydrophobicContact CB-CB 4.27Å; A630-C655 VanDerWaalsContact O-CB 3.29Å; A630-C655 WeakPolarHBondContact O-CB 3.44Å; A630-R656 HydrophobicContact CB-CG 3.81Å; A630-I659 VanDerWaalsContact CA-CD1 3.46Å; A630-I659 HydrophobicContact CB-CD1 3.83Å
631	D	93.7	Very high	89	Confident	67 Å²	67	46.3 Å²	46.3	36%	0.358	28%	0.275	S	S	.	.	H	α-helix	trans	-76.3	-40.5	179.2	-83.2	-76.2	0	0	0	110.4	D629 R634 D635	D629-D631 PolarHBondContact O-N 3.31Å; D629-D631 WeakPolarHBondContact OD1-CA 3.39Å; D629-D631 PolarHBondContact OD1-N 3.37Å; D631-R634 WeakPolarHBondContact O-CB 3.35Å; D631-R634 PolarHBondContact O-N 3.33Å; D631-R634 IonicContact OD1-CZ 3.27Å; D631-R634 VanDerWaalsContact OD1-CZ 3.27Å; D631-R634 IonicContact OD1-NH1 2.76Å; D631-R634 PolarHBondContact OD1-NH1 2.78Å; D631-R634 IonicContact OD1-NH2 3.14Å; D631-R634 PolarHBondContact OD1-NH2 2.75Å; D631-R634 VanDerWaalsContact OD1-NH2 3.14Å; D631-D635 PolarHBondContact O-N 2.75Å; D631-D635 VanDerWaalsContact O-N 3.11Å
632	E	93.4	Very high	88.8	Confident	48 Å²	48	47 Å²	47	22%	0.224	28%	0.279	C	S	.	.	H	α-helix	trans	-65	-44.7	174.2	-74.7	173.7	162	0	0	112.2	V621 I628 D629 R634 D635 I636	V621-E632 HydrophobicContact CG1-CB 3.63Å; V621-E632 HydrophobicContact CG1-CG 3.84Å; I628-E632 VanDerWaalsContact CA-OE2 3.31Å; I628-E632 WeakPolarHBondContact CA-OE2 3.49Å; I628-E632 HydrophobicContact CB-CB 4.24Å; D629-E632 PolarHBondContact N-OE2 2.77Å; D629-E632 WeakPolarHBondContact OD1-CB 3.21Å; D629-E632 PolarHBondContact OD1-N 3.12Å; E632-R634 VanDerWaalsContact C-N 3.28Å; E632-R634 PolarHBondContact O-N 2.96Å; E632-D635 PolarHBondContact O-N 2.61Å; E632-D635 VanDerWaalsContact O-N 3.16Å; E632-I636 WeakPolarHBondContact O-CG1 3.32Å; E632-I636 PolarHBondContact O-N 2.84Å
633	L	93.4	Very high	88.6	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-59	-42.2	174	179.7	62.5	0	0	0	110.9	I628 D629 D635 I636 L637 C655 M658 I659 L670 F675 L678	I628-L633 HydrophobicContact CD1-CB 4.34Å; I628-L633 HydrophobicContact CD1-CD1 3.86Å; D629-L633 WeakPolarHBondContact O-CB 3.13Å; D629-L633 PolarHBondContact O-N 3.43Å; L633-D635 VanDerWaalsContact C-N 3.3Å; L633-D635 PolarHBondContact O-N 2.62Å; L633-I636 PolarHBondContact O-N 3.2Å; L633-L637 HydrophobicContact CD1-CD1 3.82Å; L633-L637 HydrophobicContact CD1-CD2 4.35Å; L633-L637 HydrophobicContact CD1-CG 3.83Å; L633-L637 HydrophobicContact CD2-CD1 4.41Å; L633-L637 HydrophobicContact CG-CD1 3.82Å; L633-L637 HydrophobicContact CG-CG 4.19Å; L633-L637 WeakPolarHBondContact O-CB 3.47Å; L633-L637 VanDerWaalsContact O-CG 3.26Å; L633-L637 WeakPolarHBondContact O-CG 3.38Å; L633-L637 PolarHBondContact O-N 2.93Å; L633-C655 HydrophobicContact CB-CB 4.46Å; L633-C655 HydrophobicContact CD2-CB 4.1Å; L633-C655 HydrophobicContact CG-CB 4.38Å; L633-M658 HydrophobicContact CD2-CB 4.33Å; L633-I659 HydrophobicContact CD2-CD1 4.2Å; L633-I659 HydrophobicContact CD2-CG1 3.8Å; L633-L670 HydrophobicContact CD2-CD1 4.18Å; L633-F675 HydrophobicContact CD1-CD2 4.02Å; L633-F675 HydrophobicContact CD1-CE2 3.8Å; L633-L678 HydrophobicContact CD1-CD2 4.22Å; L633-L678 HydrophobicContact CD2-CD2 4.04Å
634	R	93.8	Very high	88.3	Confident	67 Å²	67	58.4 Å²	58.4	25%	0.253	31%	0.312	S	S	.	.	H	α-helix	trans	-57.7	-45.5	176.1	-176.5	-168.4	66.8	-137.9	-12.2	111.1	A630 D631 E632 L637 N638 F650 C655	A630-R634 WeakPolarHBondContact O-CB 3.3Å; A630-R634 PolarHBondContact O-N 3.12Å; A630-R634 VanDerWaalsContact O-N 3.16Å; D631-R634 WeakPolarHBondContact O-CB 3.35Å; D631-R634 PolarHBondContact O-N 3.33Å; D631-R634 IonicContact OD1-CZ 3.27Å; D631-R634 VanDerWaalsContact OD1-CZ 3.27Å; D631-R634 IonicContact OD1-NH1 2.76Å; D631-R634 PolarHBondContact OD1-NH1 2.78Å; D631-R634 IonicContact OD1-NH2 3.14Å; D631-R634 PolarHBondContact OD1-NH2 2.75Å; D631-R634 VanDerWaalsContact OD1-NH2 3.14Å; E632-R634 VanDerWaalsContact C-N 3.28Å; E632-R634 PolarHBondContact O-N 2.96Å; R634-L637 PolarHBondContact O-N 2.64Å; R634-N638 WeakPolarHBondContact CG-ND2 3.42Å; R634-N638 WeakPolarHBondContact O-CB 3.31Å; R634-N638 PolarHBondContact O-N 3.06Å; R634-N638 PolarHBondContact O-ND2 3.15Å; R634-F650 WeakPolarHBondContact CG-O 3.47Å; R634-C655 WeakPolarHBondContact CA-SG 3.48Å; R634-C655 VanDerWaalsContact CB-SG 3.6Å
635	D	88.9	Confident	88.1	Confident	93 Å²	93	51.2 Å²	51.2	50%	0.497	27%	0.273	S	S	.	.	H	α-helix	trans	-67.7	-41.2	-176.8	-69.7	-3.4	0	0	0	111.5	D631 E632 L633 C639	D631-D635 PolarHBondContact O-N 2.75Å; D631-D635 VanDerWaalsContact O-N 3.11Å; E632-D635 PolarHBondContact O-N 2.61Å; E632-D635 VanDerWaalsContact O-N 3.16Å; L633-D635 VanDerWaalsContact C-N 3.3Å; L633-D635 PolarHBondContact O-N 2.62Å; D635-C639 VanDerWaalsContact O-CB 3.28Å; D635-C639 WeakPolarHBondContact O-CB 3.38Å; D635-C639 PolarHBondContact O-N 2.89Å
636	I	89.2	Confident	87.8	Confident	17 Å²	17	52 Å²	52	9%	0.087	28%	0.281	C	S	.	.	H	α-helix	trans	-60	-53.4	173.6	-65.3	167.1	0	0	0	110.6	V621 I628 E632 L633 C639 A640 F675 W679	V621-I636 HydrophobicContact CB-CD1 3.81Å; V621-I636 HydrophobicContact CB-CG1 3.92Å; V621-I636 HydrophobicContact CG1-CD1 3.91Å; V621-I636 HydrophobicContact CG1-CG1 3.93Å; V621-I636 HydrophobicContact CG2-CD1 4.06Å; V621-I636 HydrophobicContact CG2-CG1 3.64Å; I628-I636 HydrophobicContact CD1-CD1 4.14Å; I628-I636 HydrophobicContact CG2-CD1 4.14Å; E632-I636 WeakPolarHBondContact O-CG1 3.32Å; E632-I636 PolarHBondContact O-N 2.84Å; L633-I636 PolarHBondContact O-N 3.2Å; I636-C639 PolarHBondContact O-N 3.32Å; I636-A640 PolarHBondContact O-N 2.79Å; I636-A640 VanDerWaalsContact O-N 3.1Å; I636-F675 HydrophobicContact CG2-CE2 4.34Å; I636-F675 HydrophobicContact CG2-CZ 3.93Å; I636-W679 HydrophobicContact CG2-CZ3 4.37Å
637	L	90.7	Very high	87.7	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-67.1	-40.7	-174.4	-67.8	-178.6	0	0	0	111.7	L633 R634 C639 A640 F641 F650 M658 W679 L682	L633-L637 HydrophobicContact CD1-CD1 3.82Å; L633-L637 HydrophobicContact CD1-CD2 4.35Å; L633-L637 HydrophobicContact CD1-CG 3.83Å; L633-L637 HydrophobicContact CD2-CD1 4.41Å; L633-L637 HydrophobicContact CG-CD1 3.82Å; L633-L637 HydrophobicContact CG-CG 4.19Å; L633-L637 WeakPolarHBondContact O-CB 3.47Å; L633-L637 VanDerWaalsContact O-CG 3.26Å; L633-L637 WeakPolarHBondContact O-CG 3.38Å; L633-L637 PolarHBondContact O-N 2.93Å; R634-L637 PolarHBondContact O-N 2.64Å; L637-C639 VanDerWaalsContact C-N 3.35Å; L637-C639 PolarHBondContact O-N 3.31Å; L637-A640 PolarHBondContact O-N 3.49Å; L637-F641 HydrophobicContact CD2-CD2 4.3Å; L637-F641 HydrophobicContact CD2-CE2 3.94Å; L637-F641 WeakPolarHBondContact O-CB 3.49Å; L637-F641 WeakPolarHBondContact O-CD2 3.45Å; L637-F641 PolarHBondContact O-N 2.67Å; L637-F650 HydrophobicContact CB-CD2 3.53Å; L637-F650 HydrophobicContact CB-CE2 3.84Å; L637-F650 HydrophobicContact CB-CG 4.28Å; L637-F650 HydrophobicContact CD1-CD2 4.21Å; L637-F650 HydrophobicContact CD1-CE2 4.31Å; L637-F650 HydrophobicContact CD1-CG 4.34Å; L637-F650 HydrophobicContact CG-CD2 4.49Å; L637-M658 HydrophobicContact CD1-CE 3.39Å; L637-M658 HydrophobicContact CD1-SD 3.99Å; L637-W679 HydrophobicContact CD2-CE3 4.11Å; L637-W679 HydrophobicContact CD2-CZ3 3.78Å; L637-L682 HydrophobicContact CD1-CD1 4.14Å; L637-L682 HydrophobicContact CD2-CD1 3.64Å
638	N	91	Very high	87.5	Confident	35 Å²	35	55.3 Å²	55.3	19%	0.187	29%	0.29	C	S	.	.	H	α-helix	trans	-66.3	-38.2	176.7	-77.3	-23	0	0	0	111.9	R634 A640 T642 G649 F650	R634-N638 WeakPolarHBondContact CG-ND2 3.42Å; R634-N638 WeakPolarHBondContact O-CB 3.31Å; R634-N638 PolarHBondContact O-N 3.06Å; R634-N638 PolarHBondContact O-ND2 3.15Å; N638-A640 VanDerWaalsContact C-N 3.27Å; N638-A640 PolarHBondContact O-N 3.32Å; N638-T642 HydrophobicContact CB-CG2 4.33Å; N638-T642 WeakPolarHBondContact O-CB 3.47Å; N638-T642 WeakPolarHBondContact O-CG2 3.49Å; N638-T642 PolarHBondContact O-N 2.91Å; N638-T642 PolarHBondContact O-OG1 3.35Å; N638-G649 WeakPolarHBondContact OD1-CA 3.46Å; N638-F650 PolarHBondContact ND2-O 2.96Å; N638-F650 PolarHBondContact OD1-N 3.47Å
639	C	86	Confident	87.4	Confident	69 Å²	69	55.8 Å²	55.8	47%	0.466	29%	0.294	S	S	.	.	H	α-helix	trans	-60.8	-38.1	173.3	-171.2	0	0	0	0	112.4	D635 I636 L637 R643	D635-C639 VanDerWaalsContact O-CB 3.28Å; D635-C639 WeakPolarHBondContact O-CB 3.38Å; D635-C639 PolarHBondContact O-N 2.89Å; I636-C639 PolarHBondContact O-N 3.32Å; L637-C639 VanDerWaalsContact C-N 3.35Å; L637-C639 PolarHBondContact O-N 3.31Å; C639-R643 WeakPolarHBondContact O-CD 3.48Å; C639-R643 PolarHBondContact O-NE 3.1Å
640	A	84.8	Confident	87.5	Confident	40 Å²	40	53.4 Å²	53.4	33%	0.331	28%	0.281	S	S	.	.	H	α-helix	trans	-84.4	-43.5	-174.8	0	0	0	0	0	114.6	I636 L637 N638 W679	I636-A640 PolarHBondContact O-N 2.79Å; I636-A640 VanDerWaalsContact O-N 3.1Å; L637-A640 PolarHBondContact O-N 3.49Å; N638-A640 VanDerWaalsContact C-N 3.27Å; N638-A640 PolarHBondContact O-N 3.32Å; A640-W679 HydrophobicContact CB-CH2 3.58Å; A640-W679 HydrophobicContact CB-CZ2 4.48Å; A640-W679 HydrophobicContact CB-CZ3 4.36Å
641	F	86.5	Confident	87.5	Confident	4 Å²	4	54.7 Å²	54.7	2%	0.018	29%	0.289	C	S	.	.	H	α-helix	trans	-92	-35.4	-168.1	-77.1	-112.4	0	0	0	113.3	L637 R643 D644 F647 F650 W679 L682 K686 F737	L637-F641 HydrophobicContact CD2-CD2 4.3Å; L637-F641 HydrophobicContact CD2-CE2 3.94Å; L637-F641 WeakPolarHBondContact O-CB 3.49Å; L637-F641 WeakPolarHBondContact O-CD2 3.45Å; L637-F641 PolarHBondContact O-N 2.67Å; F641-R643 PolarHBondContact O-N 3.41Å; F641-R643 VanDerWaalsContact O-N 3.13Å; F641-D644 WeakPolarHBondContact O-CB 3.44Å; F641-D644 PolarHBondContact O-N 3.48Å; F641-F647 HydrophobicContact CB-CE1 3.88Å; F641-F647 HydrophobicContact CB-CZ 4.03Å; F641-F650 HydrophobicContact CB-CE2 3.93Å; F641-F650 HydrophobicContact CD1-CE2 4.2Å; F641-F650 HydrophobicContact CD1-CZ 4.4Å; F641-F650 HydrophobicContact CD2-CE2 4.19Å; F641-F650 AromaticContact CG-CE2 3.86Å; F641-F650 HydrophobicContact CG-CE2 3.86Å; F641-F650 HydrophobicContact CG-CZ 4.5Å; F641-W679 HydrophobicContact CE2-CE3 4.49Å; F641-W679 AromaticContact CE2-CH2 3.84Å; F641-W679 HydrophobicContact CE2-CH2 3.84Å; F641-W679 HydrophobicContact CE2-CZ2 4.31Å; F641-W679 AromaticContact CE2-CZ3 3.94Å; F641-W679 HydrophobicContact CE2-CZ3 3.94Å; F641-L682 HydrophobicContact CE1-CB 4.4Å; F641-L682 HydrophobicContact CZ-CB 3.92Å; F641-K686 HydrophobicContact CD1-CD 3.65Å; F641-K686 HydrophobicContact CE1-CB 4.17Å; F641-K686 HydrophobicContact CE1-CD 3.46Å; F641-K686 VanDerWaalsContact CE1-CD 3.46Å; F641-K686 HydrophobicContact CE1-CG 4.4Å; F641-K686 HydrophobicContact CZ-CD 4.49Å; F641-F737 AromaticContact CD1-CE1 3.81Å; F641-F737 HydrophobicContact CD1-CE1 3.81Å; F641-F737 HydrophobicContact CD1-CZ 4.23Å; F641-F737 HydrophobicContact CE1-CE1 4.3Å; F641-F737 HydrophobicContact CE1-CZ 4.32Å
642	T	83.1	Confident	87.6	Confident	59 Å²	59	53.6 Å²	53.6	36%	0.362	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-17.2	-176.5	62.3	0	0	0	0	113.6	N638 D644 F647	N638-T642 HydrophobicContact CB-CG2 4.33Å; N638-T642 WeakPolarHBondContact O-CB 3.47Å; N638-T642 WeakPolarHBondContact O-CG2 3.49Å; N638-T642 PolarHBondContact O-N 2.91Å; N638-T642 PolarHBondContact O-OG1 3.35Å; T642-D644 VanDerWaalsContact C-N 3.35Å; T642-F647 HydrophobicContact CG2-CD1 4.38Å; T642-F647 HydrophobicContact CG2-CE1 3.73Å; T642-F647 HydrophobicContact CG2-CZ 4.08Å
643	R	79.9	Confident	87.5	Confident	205 Å²	205	55.4 Å²	55.4	77%	0.774	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-18.3	175.3	-63.9	-177.7	179.2	-178.7	2.2	113.3	C639 F641	C639-R643 WeakPolarHBondContact O-CD 3.48Å; C639-R643 PolarHBondContact O-NE 3.1Å; F641-R643 PolarHBondContact O-N 3.41Å; F641-R643 VanDerWaalsContact O-N 3.13Å
644	D	75	Confident	87.5	Confident	86 Å²	86	55.4 Å²	55.4	46%	0.46	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100	-25	-166.6	-148.7	-35	0	0	0	112.3	F641 T642 K686 K690	F641-D644 WeakPolarHBondContact O-CB 3.44Å; F641-D644 PolarHBondContact O-N 3.48Å; T642-D644 VanDerWaalsContact C-N 3.35Å; D644-K686 VanDerWaalsContact CG-NZ 3.27Å; D644-K686 WeakPolarHBondContact OD2-CE 3.34Å; D644-K686 IonicContact OD2-NZ 2.65Å; D644-K686 PolarHBondContact OD2-NZ 2.82Å; D644-K690 PolarHBondContact O-NZ 2.99Å; D644-K690 IonicContact OD1-NZ 2.84Å; D644-K690 PolarHBondContact OD1-NZ 3.47Å
645	F	77.9	Confident	87.6	Confident	31 Å²	31	52.2 Å²	52.2	14%	0.136	28%	0.28	C	S	.	.	S	Bend	trans	-162.7	159.3	167.8	62.4	-77.4	0	0	0	110.1	F647 K686 F689 K690 F737	F645-F647 HydrophobicContact CD2-CD1 4.34Å; F645-F647 HydrophobicContact CE2-CB 4.26Å; F645-F647 AromaticContact CE2-CD1 3.98Å; F645-F647 HydrophobicContact CE2-CD1 3.98Å; F645-F647 HydrophobicContact CE2-CG 4.25Å; F645-F647 HydrophobicContact CZ-CD1 4.23Å; F645-F647 HydrophobicContact CZ-CE1 4.5Å; F645-F647 PolarHBondContact O-N 3.09Å; F645-K686 HydrophobicContact CE1-CD 4.04Å; F645-K686 HydrophobicContact CE1-CG 4.06Å; F645-F689 HydrophobicContact CD2-CE1 4.43Å; F645-F689 HydrophobicContact CE2-CD1 4.12Å; F645-F689 AromaticContact CE2-CE1 3.9Å; F645-F689 HydrophobicContact CE2-CE1 3.9Å; F645-F689 HydrophobicContact CZ-CD1 4.45Å; F645-K690 VanDerWaalsContact CD1-CE 3.43Å; F645-F737 HydrophobicContact CE1-CD1 4.45Å; F645-F737 HydrophobicContact CE1-CE1 4.39Å; F645-F737 HydrophobicContact CE2-CB 3.82Å; F645-F737 HydrophobicContact CE2-CD1 4.05Å; F645-F737 HydrophobicContact CE2-CD2 4.38Å; F645-F737 AromaticContact CE2-CG 3.83Å; F645-F737 HydrophobicContact CE2-CG 3.83Å; F645-F737 HydrophobicContact CZ-CB 4.06Å; F645-F737 AromaticContact CZ-CD1 3.43Å; F645-F737 HydrophobicContact CZ-CD1 3.43Å; F645-F737 VanDerWaalsContact CZ-CD1 3.43Å; F645-F737 AromaticContact CZ-CD2 3.94Å; F645-F737 HydrophobicContact CZ-CD2 3.94Å; F645-F737 AromaticContact CZ-CE1 3.72Å; F645-F737 HydrophobicContact CZ-CE1 3.72Å; F645-F737 HydrophobicContact CZ-CE2 4.23Å; F645-F737 AromaticContact CZ-CG 3.53Å; F645-F737 HydrophobicContact CZ-CG 3.53Å; F645-F737 HydrophobicContact CZ-CZ 4.12Å
646	T	78.4	Confident	87.8	Confident	112 Å²	112	54.3 Å²	54.3	69%	0.687	28%	0.281	S	S	*	.			trans	-73.5	113.7	-178.7	24.8	0	0	0	0	111.5	G698	T646-G698 WeakPolarHBondContact O-CA 3.37Å
647	F	86	Confident	88	Confident	28 Å²	28	53.9 Å²	53.9	12%	0.123	28%	0.279	C	S	.	.			trans	-153.5	167.7	162.5	80.1	-66.8	0	0	0	109.3	F641 T642 F645 G649 F650 F737	F641-F647 HydrophobicContact CB-CE1 3.88Å; F641-F647 HydrophobicContact CB-CZ 4.03Å; T642-F647 HydrophobicContact CG2-CD1 4.38Å; T642-F647 HydrophobicContact CG2-CE1 3.73Å; T642-F647 HydrophobicContact CG2-CZ 4.08Å; F645-F647 HydrophobicContact CD2-CD1 4.34Å; F645-F647 HydrophobicContact CE2-CB 4.26Å; F645-F647 AromaticContact CE2-CD1 3.98Å; F645-F647 HydrophobicContact CE2-CD1 3.98Å; F645-F647 HydrophobicContact CE2-CG 4.25Å; F645-F647 HydrophobicContact CZ-CD1 4.23Å; F645-F647 HydrophobicContact CZ-CE1 4.5Å; F645-F647 PolarHBondContact O-N 3.09Å; F647-G649 VanDerWaalsContact CD2-N 3.35Å; F647-G649 PolarHBondContact O-N 3Å; F647-G649 VanDerWaalsContact O-N 3.08Å; F647-F650 HydrophobicContact CE2-CD2 4.08Å; F647-F650 HydrophobicContact CE2-CE2 4.26Å; F647-F650 HydrophobicContact CE2-CG 4.32Å; F647-F650 AromaticContact CZ-CD2 3.77Å; F647-F650 HydrophobicContact CZ-CD2 3.77Å; F647-F650 AromaticContact CZ-CE2 3.79Å; F647-F650 HydrophobicContact CZ-CE2 3.79Å; F647-F650 HydrophobicContact CZ-CG 4.46Å; F647-F650 HydrophobicContact CZ-CZ 4.48Å; F647-F737 HydrophobicContact CB-CB 4.41Å; F647-F737 HydrophobicContact CD2-CB 4.09Å; F647-F737 HydrophobicContact CD2-CD1 4.13Å; F647-F737 HydrophobicContact CE1-CD1 4.42Å; F647-F737 AromaticContact CE2-CD1 3.89Å; F647-F737 HydrophobicContact CE2-CD1 3.89Å; F647-F737 HydrophobicContact CG-CB 4.29Å; F647-F737 HydrophobicContact CG-CD1 4.49Å; F647-F737 HydrophobicContact CZ-CD1 4.06Å
648	D	86	Confident	88.1	Confident	132 Å²	132	53.9 Å²	53.9	71%	0.706	28%	0.279	S	S	*	.			trans	-72	-0.8	-172.4	-63.4	-37.8	0	0	0	114.8	R730	D648-R730 IonicContact OD2-CZ 3.54Å; D648-R730 IonicContact OD2-NH1 3.54Å; D648-R730 IonicContact OD2-NH2 2.66Å; D648-R730 PolarHBondContact OD2-NH2 2.92Å
649	G	91.8	Very high	88.2	Confident	9 Å²	9	52.6 Å²	52.6	9%	0.093	27%	0.272	C	S	.	.			trans	88.2	163.3	-169.7	0	0	0	0	0	112.8	N638 F647	N638-G649 WeakPolarHBondContact OD1-CA 3.46Å; F647-G649 VanDerWaalsContact CD2-N 3.35Å; F647-G649 PolarHBondContact O-N 3Å; F647-G649 VanDerWaalsContact O-N 3.08Å
650	F	94.3	Very high	88.2	Confident	5 Å²	5	49.9 Å²	49.9	2%	0.022	26%	0.255	C	S	.	.			trans	-69.3	132.8	173.4	-73.6	-76.2	0	0	0	110.9	R634 L637 N638 F641 F647 S654 M658 L682 F737 D738 V741	R634-F650 WeakPolarHBondContact CG-O 3.47Å; L637-F650 HydrophobicContact CB-CD2 3.53Å; L637-F650 HydrophobicContact CB-CE2 3.84Å; L637-F650 HydrophobicContact CB-CG 4.28Å; L637-F650 HydrophobicContact CD1-CD2 4.21Å; L637-F650 HydrophobicContact CD1-CE2 4.31Å; L637-F650 HydrophobicContact CD1-CG 4.34Å; L637-F650 HydrophobicContact CG-CD2 4.49Å; N638-F650 PolarHBondContact ND2-O 2.96Å; N638-F650 PolarHBondContact OD1-N 3.47Å; F641-F650 HydrophobicContact CB-CE2 3.93Å; F641-F650 HydrophobicContact CD1-CE2 4.2Å; F641-F650 HydrophobicContact CD1-CZ 4.4Å; F641-F650 HydrophobicContact CD2-CE2 4.19Å; F641-F650 AromaticContact CG-CE2 3.86Å; F641-F650 HydrophobicContact CG-CE2 3.86Å; F641-F650 HydrophobicContact CG-CZ 4.5Å; F647-F650 HydrophobicContact CE2-CD2 4.08Å; F647-F650 HydrophobicContact CE2-CE2 4.26Å; F647-F650 HydrophobicContact CE2-CG 4.32Å; F647-F650 AromaticContact CZ-CD2 3.77Å; F647-F650 HydrophobicContact CZ-CD2 3.77Å; F647-F650 AromaticContact CZ-CE2 3.79Å; F647-F650 HydrophobicContact CZ-CE2 3.79Å; F647-F650 HydrophobicContact CZ-CG 4.46Å; F647-F650 HydrophobicContact CZ-CZ 4.48Å; F650-S654 WeakPolarHBondContact CD1-OG 3.45Å; F650-M658 HydrophobicContact CD1-CE 3.9Å; F650-M658 HydrophobicContact CE1-CE 4.11Å; F650-L682 HydrophobicContact CZ-CD2 4.35Å; F650-F737 HydrophobicContact CE1-CD1 4.38Å; F650-F737 HydrophobicContact CE1-CE1 4.12Å; F650-F737 HydrophobicContact CE2-CE1 4.14Å; F650-F737 HydrophobicContact CZ-CD1 4.01Å; F650-F737 AromaticContact CZ-CE1 3.45Å; F650-F737 HydrophobicContact CZ-CE1 3.45Å; F650-F737 VanDerWaalsContact CZ-CE1 3.45Å; F650-F737 HydrophobicContact CZ-CZ 4.33Å; F650-D738 WeakPolarHBondContact CA-OD1 3.4Å; F650-V741 HydrophobicContact CE1-CB 4.06Å; F650-V741 HydrophobicContact CE1-CG1 4.01Å; F650-V741 HydrophobicContact CE1-CG2 3.94Å; F650-V741 HydrophobicContact CZ-CG2 4.41Å
651	S	94.6	Very high	88.4	Confident	41 Å²	41	48.5 Å²	48.5	29%	0.287	24%	0.241	S	C	.	.			trans	-81.4	158.5	173.7	63.4	0	0	0	0	111	E653 S654 C655 D738	S651-E653 PolarHBondContact O-N 3.19Å; S651-S654 PolarHBondContact N-OG 2.84Å; S651-S654 PolarHBondContact O-N 3.32Å; S651-S654 VanDerWaalsContact O-N 3.08Å; S651-S654 PolarHBondContact O-OG 3.09Å; S651-S654 PolarHBondContact OG-N 2.93Å; S651-C655 PolarHBondContact O-N 2.98Å; S651-D738 WeakPolarHBondContact CB-OD2 3.43Å; S651-D738 PolarHBondContact N-OD1 3.1Å; S651-D738 PolarHBondContact OG-OD1 2.77Å; S651-D738 PolarHBondContact OG-OD2 3.26Å
652	L	94.4	Very high	88.5	Confident	44 Å²	44	49.2 Å²	49.2	23%	0.23	25%	0.245	C	C	.	.	H	α-helix	trans	-59.8	-31.5	174.9	-170.8	64.2	0	0	0	112	A630 C655 R656	A630-L652 HydrophobicContact CB-CD1 3.77Å; L652-C655 PolarHBondContact O-N 3.11Å; L652-R656 WeakPolarHBondContact O-CG 3.35Å; L652-R656 PolarHBondContact O-N 2.8Å
653	E	92.1	Very high	88.5	Confident	87 Å²	87	46.7 Å²	46.7	41%	0.407	23%	0.23	S	C	.	.	H	α-helix	trans	-64.7	-42.8	175.3	-175.4	65.3	-176.9	0	0	111.7	S651 C655 R656 S657 I742 R746	S651-E653 PolarHBondContact O-N 3.19Å; E653-C655 VanDerWaalsContact C-N 3.33Å; E653-C655 PolarHBondContact O-N 2.9Å; E653-R656 PolarHBondContact O-N 3.46Å; E653-S657 PolarHBondContact O-N 3.2Å; E653-I742 HydrophobicContact CG-CD1 4.46Å; E653-R746 IonicContact OE1-NH2 3.63Å; E653-R746 PolarHBondContact OE1-NH2 3.45Å
654	S	93.6	Very high	88.2	Confident	0 Å²	0	43 Å²	43	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-61	-43.5	175.3	74.5	0	0	0	0	112.1	F650 S651 R656 S657 M658 D738	F650-S654 WeakPolarHBondContact CD1-OG 3.45Å; S651-S654 PolarHBondContact N-OG 2.84Å; S651-S654 PolarHBondContact O-N 3.32Å; S651-S654 VanDerWaalsContact O-N 3.08Å; S651-S654 PolarHBondContact O-OG 3.09Å; S651-S654 PolarHBondContact OG-N 2.93Å; S654-R656 VanDerWaalsContact C-N 3.35Å; S654-R656 PolarHBondContact O-N 2.79Å; S654-S657 PolarHBondContact O-N 3.11Å; S654-M658 WeakPolarHBondContact O-CB 3.5Å; S654-M658 WeakPolarHBondContact O-CE 3.42Å; S654-M658 VanDerWaalsContact O-CG 3.31Å; S654-M658 WeakPolarHBondContact O-CG 3.5Å; S654-M658 PolarHBondContact O-N 3Å; S654-D738 WeakPolarHBondContact CB-OD1 3.4Å; S654-D738 PolarHBondContact OG-OD1 3.12Å
655	C	95.3	Very high	88.4	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-62.9	-42.5	177.6	-63.9	0	0	0	0	111.1	A630 L633 R634 S651 L652 E653 M658 I659	A630-C655 HydrophobicContact CB-CB 4.27Å; A630-C655 VanDerWaalsContact O-CB 3.29Å; A630-C655 WeakPolarHBondContact O-CB 3.44Å; L633-C655 HydrophobicContact CB-CB 4.46Å; L633-C655 HydrophobicContact CD2-CB 4.1Å; L633-C655 HydrophobicContact CG-CB 4.38Å; R634-C655 WeakPolarHBondContact CA-SG 3.48Å; R634-C655 VanDerWaalsContact CB-SG 3.6Å; S651-C655 PolarHBondContact O-N 2.98Å; L652-C655 PolarHBondContact O-N 3.11Å; E653-C655 VanDerWaalsContact C-N 3.33Å; E653-C655 PolarHBondContact O-N 2.9Å; C655-M658 PolarHBondContact O-N 2.72Å; C655-I659 VanDerWaalsContact O-CG1 3.3Å; C655-I659 WeakPolarHBondContact O-CG1 3.37Å; C655-I659 PolarHBondContact O-N 3.11Å
656	R	93.1	Very high	88.6	Confident	137 Å²	137	49.6 Å²	49.6	52%	0.517	25%	0.254	S	S	.	.	H	α-helix	trans	-62.6	-45.6	174.4	-73.2	172.7	179	165.8	-1.3	112.7	A630 L652 E653 S654 M658 I659 A660	A630-R656 HydrophobicContact CB-CG 3.81Å; L652-R656 WeakPolarHBondContact O-CG 3.35Å; L652-R656 PolarHBondContact O-N 2.8Å; E653-R656 PolarHBondContact O-N 3.46Å; S654-R656 VanDerWaalsContact C-N 3.35Å; S654-R656 PolarHBondContact O-N 2.79Å; R656-M658 VanDerWaalsContact C-N 3.3Å; R656-M658 PolarHBondContact O-N 2.86Å; R656-I659 PolarHBondContact O-N 3.27Å; R656-A660 WeakPolarHBondContact O-CB 3.37Å; R656-A660 PolarHBondContact O-N 2.85Å
657	S	92.5	Very high	88.9	Confident	8 Å²	8	46.6 Å²	46.6	6%	0.056	24%	0.238	C	C	.	.	H	α-helix	trans	-64.4	-34.2	176.2	-73.9	0	0	0	0	112.4	E653 S654 M661 R746	E653-S657 PolarHBondContact O-N 3.2Å; S654-S657 PolarHBondContact O-N 3.11Å; S657-M661 PolarHBondContact O-N 3.04Å; S657-R746 PolarHBondContact OG-NE 3.25Å
658	M	93.8	Very high	88.9	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-69.8	-39.7	174.3	-75.6	-175.1	-77.4	0	0	112.7	L633 L637 F650 S654 C655 R656 M661 M662 L678 L682 V741 A745	L633-M658 HydrophobicContact CD2-CB 4.33Å; L637-M658 HydrophobicContact CD1-CE 3.39Å; L637-M658 HydrophobicContact CD1-SD 3.99Å; F650-M658 HydrophobicContact CD1-CE 3.9Å; F650-M658 HydrophobicContact CE1-CE 4.11Å; S654-M658 WeakPolarHBondContact O-CB 3.5Å; S654-M658 WeakPolarHBondContact O-CE 3.42Å; S654-M658 VanDerWaalsContact O-CG 3.31Å; S654-M658 WeakPolarHBondContact O-CG 3.5Å; S654-M658 PolarHBondContact O-N 3Å; C655-M658 PolarHBondContact O-N 2.72Å; R656-M658 VanDerWaalsContact C-N 3.3Å; R656-M658 PolarHBondContact O-N 2.86Å; M658-M661 PolarHBondContact O-N 3.47Å; M658-M662 WeakPolarHBondContact O-CG 3.36Å; M658-M662 PolarHBondContact O-N 3.35Å; M658-L678 HydrophobicContact CB-CD1 3.95Å; M658-L678 HydrophobicContact CB-CD2 4.02Å; M658-L678 HydrophobicContact CG-CD1 4.03Å; M658-L678 HydrophobicContact SD-CD1 4.12Å; M658-L678 HydrophobicContact SD-CD2 4.49Å; M658-L682 HydrophobicContact SD-CD1 4Å; M658-L682 HydrophobicContact SD-CD2 3.73Å; M658-L682 HydrophobicContact SD-CG 4.27Å; M658-V741 HydrophobicContact CE-CG1 4.37Å; M658-V741 HydrophobicContact CG-CG1 4.08Å; M658-V741 HydrophobicContact SD-CG1 3.68Å; M658-A745 HydrophobicContact CG-CB 4.49Å
659	I	92.2	Very high	89.1	Confident	7 Å²	7	43.5 Å²	43.5	4%	0.036	23%	0.23	C	C	.	.	H	α-helix	trans	-64.3	-51.6	174.5	-69.7	174.6	0	0	0	109.5	A630 L633 C655 R656 M661 M662 D663 L670	A630-I659 VanDerWaalsContact CA-CD1 3.46Å; A630-I659 HydrophobicContact CB-CD1 3.83Å; L633-I659 HydrophobicContact CD2-CD1 4.2Å; L633-I659 HydrophobicContact CD2-CG1 3.8Å; C655-I659 VanDerWaalsContact O-CG1 3.3Å; C655-I659 WeakPolarHBondContact O-CG1 3.37Å; C655-I659 PolarHBondContact O-N 3.11Å; R656-I659 PolarHBondContact O-N 3.27Å; I659-M661 PolarHBondContact O-N 3.06Å; I659-M662 PolarHBondContact O-N 3.21Å; I659-D663 HydrophobicContact CG2-CB 3.98Å; I659-D663 WeakPolarHBondContact O-CB 3.34Å; I659-D663 PolarHBondContact O-N 2.87Å; I659-L670 HydrophobicContact CG1-CD1 3.87Å; I659-L670 HydrophobicContact CG1-CG 3.96Å; I659-L670 HydrophobicContact CG2-CD2 4.44Å; I659-L670 HydrophobicContact CG2-CG 4.48Å
660	A	87.9	Confident	89.1	Confident	13 Å²	13	43 Å²	43	11%	0.107	23%	0.226	C	C	.	.	H	α-helix	trans	-54.1	-32.7	179.6	0	0	0	0	0	113.2	R656 I749 Y778	R656-A660 WeakPolarHBondContact O-CB 3.37Å; R656-A660 PolarHBondContact O-N 2.85Å; A660-I749 HydrophobicContact CB-CD1 4.27Å; A660-I749 VanDerWaalsContact O-CD1 3.23Å; A660-I749 WeakPolarHBondContact O-CD1 3.49Å; A660-Y778 HydrophobicContact CB-CD1 4.32Å; A660-Y778 HydrophobicContact CB-CE1 4.07Å; A660-Y778 WeakPolarHBondContact CB-O 3.34Å
661	M	88.7	Confident	88.9	Confident	10 Å²	10	44.9 Å²	44.9	5%	0.049	24%	0.235	C	C	.	.	H	α-helix	trans	-71.1	-31.9	176.2	-172.9	-167.5	60.9	0	0	113.5	S657 M658 I659 L678 L681 W685 A745 Q748	S657-M661 PolarHBondContact O-N 3.04Å; M658-M661 PolarHBondContact O-N 3.47Å; I659-M661 PolarHBondContact O-N 3.06Å; M661-L678 HydrophobicContact CE-CD1 3.59Å; M661-L681 HydrophobicContact CE-CD1 3.86Å; M661-W685 HydrophobicContact CE-CH2 3.73Å; M661-W685 HydrophobicContact CE-CZ3 4.39Å; M661-W685 HydrophobicContact SD-CH2 3.69Å; M661-W685 HydrophobicContact SD-CZ2 4.34Å; M661-A745 HydrophobicContact SD-CB 3.97Å; M661-Q748 HydrophobicContact CG-CB 4.28Å; M661-Q748 HydrophobicContact CG-CG 4.18Å; M661-Q748 HydrophobicContact SD-CB 3.77Å; M661-Q748 HydrophobicContact SD-CG 3.82Å
662	M	87.6	Confident	88.7	Confident	20 Å²	20	44.5 Å²	44.5	10%	0.099	23%	0.229	C	C	.	.	H	α-helix	trans	-107.3	-20.2	-171.6	-62.4	-78.2	91.4	0	0	113.6	M658 I659 V664 L670 E674 K677 L678 L681	M658-M662 WeakPolarHBondContact O-CG 3.36Å; M658-M662 PolarHBondContact O-N 3.35Å; I659-M662 PolarHBondContact O-N 3.21Å; M662-V664 VanDerWaalsContact C-N 3.31Å; M662-V664 WeakPolarHBondContact O-CG2 3.32Å; M662-V664 PolarHBondContact O-N 3.19Å; M662-L670 HydrophobicContact CB-CD2 3.51Å; M662-E674 HydrophobicContact CB-CB 4.37Å; M662-E674 WeakPolarHBondContact O-CG 3.22Å; M662-K677 HydrophobicContact SD-CB 4.19Å; M662-L678 HydrophobicContact CG-CB 3.88Å; M662-L678 HydrophobicContact CG-CD1 4.05Å; M662-L678 HydrophobicContact CG-CG 4.36Å; M662-L678 HydrophobicContact SD-CB 3.97Å; M662-L681 HydrophobicContact CE-CD1 4Å; M662-L681 HydrophobicContact SD-CD1 4.24Å
663	D	83.1	Confident	88.4	Confident	6 Å²	6	45.8 Å²	45.8	3%	0.032	24%	0.242	C	C	.	.			trans	-74.7	78.8	-177.8	-179.7	10.4	0	0	0	110.5	I659 D665 R666 S667 G668 Y778	I659-D663 HydrophobicContact CG2-CB 3.98Å; I659-D663 WeakPolarHBondContact O-CB 3.34Å; I659-D663 PolarHBondContact O-N 2.87Å; D663-D665 VanDerWaalsContact C-N 3.28Å; D663-D665 PolarHBondContact O-N 3.32Å; D663-R666 WeakPolarHBondContact OD1-CA 2.9Å; D663-R666 PolarHBondContact OD1-N 3.33Å; D663-R666 WeakPolarHBondContact OD2-CA 3.02Å; D663-S667 PolarHBondContact OD1-N 2.78Å; D663-S667 PolarHBondContact OD1-OG 2.8Å; D663-S667 PolarHBondContact OD2-N 2.98Å; D663-G668 WeakPolarHBondContact OD2-CA 3.31Å; D663-G668 PolarHBondContact OD2-N 2.88Å; D663-Y778 WeakPolarHBondContact CB-OH 3.14Å; D663-Y778 PolarHBondContact OD2-OH 2.76Å
664	V	73.9	Confident	88.3	Confident	127 Å²	127	42.6 Å²	42.6	77%	0.77	23%	0.227	S	C	*	.	S	Bend	trans	-68.7	-30.4	-178.5	-176.8	0	0	0	0	111.2	M662	M662-V664 VanDerWaalsContact C-N 3.31Å; M662-V664 WeakPolarHBondContact O-CG2 3.32Å; M662-V664 PolarHBondContact O-N 3.19Å
665	D	79.4	Confident	88.2	Confident	94 Å²	94	42.7 Å²	42.7	50%	0.503	23%	0.227	S	C	.	.	S	Bend	trans	-90.8	-5.6	-177.6	70.5	-1.4	0	0	0	114.2	D663 S667	D663-D665 VanDerWaalsContact C-N 3.28Å; D663-D665 PolarHBondContact O-N 3.32Å; D665-S667 VanDerWaalsContact C-N 3.26Å; D665-S667 PolarHBondContact O-N 2.92Å; D665-S667 WeakPolarHBondContact OD1-CB 3.24Å; D665-S667 PolarHBondContact OD1-N 3.11Å; D665-S667 PolarHBondContact OD1-OG 2.88Å
666	R	81.2	Confident	87.9	Confident	162 Å²	162	47.4 Å²	47.4	61%	0.611	25%	0.245	S	C	*	.			trans	60.7	33	-177.6	-58.8	-173.2	175.9	-166.9	-1.8	112.9	D663 G668	D663-R666 WeakPolarHBondContact OD1-CA 2.9Å; D663-R666 PolarHBondContact OD1-N 3.33Å; D663-R666 WeakPolarHBondContact OD2-CA 3.02Å; R666-G668 PolarHBondContact O-N 2.65Å
667	S	85.8	Confident	87.7	Confident	49 Å²	49	46.9 Å²	46.9	34%	0.343	25%	0.246	S	C	.	.			trans	-65.2	-25.4	173.4	56.4	0	0	0	0	112.7	D663 D665 M669	D663-S667 PolarHBondContact OD1-N 2.78Å; D663-S667 PolarHBondContact OD1-OG 2.8Å; D663-S667 PolarHBondContact OD2-N 2.98Å; D665-S667 VanDerWaalsContact C-N 3.26Å; D665-S667 PolarHBondContact O-N 2.92Å; D665-S667 WeakPolarHBondContact OD1-CB 3.24Å; D665-S667 PolarHBondContact OD1-N 3.11Å; D665-S667 PolarHBondContact OD1-OG 2.88Å; S667-M669 VanDerWaalsContact C-N 3.27Å; S667-M669 PolarHBondContact OG-N 3.45Å; S667-M669 VanDerWaalsContact OG-N 3.14Å; S667-M669 PolarHBondContact OG-O 2.85Å
668	G	85.5	Confident	87.7	Confident	38 Å²	38	46.5 Å²	46.5	39%	0.392	24%	0.244	S	C	.	.	S	Bend	trans	81.1	6.7	-167.5	0	0	0	0	0	113.2	D663 R666	D663-G668 WeakPolarHBondContact OD2-CA 3.31Å; D663-G668 PolarHBondContact OD2-N 2.88Å; R666-G668 PolarHBondContact O-N 2.65Å
669	M	91.2	Very high	87.5	Confident	56 Å²	56	48.3 Å²	48.3	28%	0.276	25%	0.251	S	S	.	.	S	Bend	trans	-135.1	177.8	-174.7	-59.3	-175.5	176.4	0	0	110.1	E627 I628 D629 S667	E627-M669 HydrophobicContact CB-CB 3.82Å; E627-M669 HydrophobicContact CB-SD 4.11Å; I628-M669 CarbonylContact O-C 3.57Å; I628-M669 VanDerWaalsContact O-CA 3.29Å; I628-M669 WeakPolarHBondContact O-CA 3.43Å; I628-M669 WeakPolarHBondContact O-CB 3.45Å; D629-M669 HydrophobicContact CB-CE 4.47Å; D629-M669 HydrophobicContact CB-CG 4.45Å; S667-M669 VanDerWaalsContact C-N 3.27Å; S667-M669 PolarHBondContact OG-N 3.45Å; S667-M669 VanDerWaalsContact OG-N 3.14Å; S667-M669 PolarHBondContact OG-O 2.85Å
670	L	90.4	Very high	87.4	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-125.2	127.7	174.3	-59	171.6	0	0	0	111.2	F618 E627 I628 L633 I659 M662 E674 F675 L678	F618-L670 WeakPolarHBondContact CZ-O 3.06Å; E627-L670 CarbonylContact C-O 3.46Å; E627-L670 VanDerWaalsContact CA-O 3.32Å; E627-L670 WeakPolarHBondContact CA-O 3.45Å; I628-L670 HydrophobicContact CD1-CB 4.29Å; I628-L670 HydrophobicContact CD1-CD1 4.42Å; I628-L670 HydrophobicContact CG1-CB 3.77Å; I628-L670 PolarHBondContact N-O 3.25Å; I628-L670 PolarHBondContact O-N 2.94Å; L633-L670 HydrophobicContact CD2-CD1 4.18Å; I659-L670 HydrophobicContact CG1-CD1 3.87Å; I659-L670 HydrophobicContact CG1-CG 3.96Å; I659-L670 HydrophobicContact CG2-CD2 4.44Å; I659-L670 HydrophobicContact CG2-CG 4.48Å; M662-L670 HydrophobicContact CB-CD2 3.51Å; L670-E674 WeakPolarHBondContact CA-OE2 3.28Å; L670-E674 HydrophobicContact CB-CB 4.32Å; L670-E674 HydrophobicContact CD2-CB 3.84Å; L670-F675 HydrophobicContact CB-CB 4.47Å; L670-L678 HydrophobicContact CD1-CD2 3.74Å
671	N	91.4	Very high	87.5	Confident	43 Å²	43	52.2 Å²	52.2	23%	0.23	27%	0.269	C	S	.	.			trans	-76.1	170.5	163.1	65.1	57.8	0	0	0	110.7	S673 E674 F675	N671-S673 VanDerWaalsContact C-N 3.25Å; N671-S673 PolarHBondContact O-N 3.37Å; N671-S673 VanDerWaalsContact OD1-CB 3.29Å; N671-S673 WeakPolarHBondContact OD1-CB 3.31Å; N671-S673 PolarHBondContact OD1-N 2.89Å; N671-E674 VanDerWaalsContact CG-CD 3.49Å; N671-E674 VanDerWaalsContact CG-OE2 3.22Å; N671-E674 PolarHBondContact N-OE2 3.45Å; N671-E674 PolarHBondContact ND2-OE1 3.08Å; N671-E674 PolarHBondContact ND2-OE2 2.91Å; N671-E674 PolarHBondContact O-N 2.75Å; N671-E674 PolarHBondContact OD1-N 2.87Å; N671-E674 VanDerWaalsContact OD1-N 3.09Å; N671-F675 WeakPolarHBondContact O-CB 3.23Å; N671-F675 PolarHBondContact O-N 3.15Å
672	F	89.6	Confident	87.7	Confident	33 Å²	33	51.8 Å²	51.8	15%	0.145	27%	0.267	C	S	.	.	H	α-helix	trans	-61.4	-32.2	-176.5	-178.3	-104.1	0	0	0	113.9	V611 L614 Q615 F618 F675 R676	V611-F672 HydrophobicContact CG1-CZ 4.37Å; L614-F672 HydrophobicContact CG-CE2 4.4Å; Q615-F672 HydrophobicContact CB-CD2 4.49Å; Q615-F672 HydrophobicContact CB-CE1 4.32Å; Q615-F672 HydrophobicContact CB-CE2 3.79Å; Q615-F672 HydrophobicContact CB-CZ 3.66Å; Q615-F672 VanDerWaalsContact CD-CG 3.48Å; Q615-F672 HydrophobicContact CG-CE2 4.34Å; Q615-F672 HydrophobicContact CG-CZ 4.3Å; Q615-F672 VanDerWaalsContact NE2-CD2 3.27Å; F618-F672 HydrophobicContact CB-CD2 3.79Å; F618-F672 HydrophobicContact CB-CE2 4.13Å; F618-F672 HydrophobicContact CD1-CB 4.08Å; F618-F672 AromaticContact CD1-CD2 3.92Å; F618-F672 HydrophobicContact CD1-CD2 3.92Å; F618-F672 HydrophobicContact CD1-CG 4.47Å; F618-F672 HydrophobicContact CD2-CD2 4.07Å; F618-F672 HydrophobicContact CE1-CB 3.93Å; F618-F672 HydrophobicContact CG-CB 4.48Å; F618-F672 AromaticContact CG-CD2 3.66Å; F618-F672 HydrophobicContact CG-CD2 3.66Å; F618-F672 HydrophobicContact CG-CE2 4.47Å; F618-F672 HydrophobicContact CZ-CB 4.17Å; F672-F675 HydrophobicContact CD2-CD1 4.23Å; F672-F675 HydrophobicContact CE2-CD1 4.32Å; F672-R676 HydrophobicContact CE1-CB 4.48Å; F672-R676 VanDerWaalsContact O-CB 3.27Å; F672-R676 WeakPolarHBondContact O-CB 3.3Å; F672-R676 PolarHBondContact O-N 3.06Å
673	S	88.7	Confident	87.8	Confident	72 Å²	72	53.5 Å²	53.5	50%	0.503	27%	0.273	S	S	.	.	H	α-helix	trans	-66.9	-44.6	-179.4	-172.8	0	0	0	0	110.9	N671 R676 K677	N671-S673 VanDerWaalsContact C-N 3.25Å; N671-S673 PolarHBondContact O-N 3.37Å; N671-S673 VanDerWaalsContact OD1-CB 3.29Å; N671-S673 WeakPolarHBondContact OD1-CB 3.31Å; N671-S673 PolarHBondContact OD1-N 2.89Å; S673-R676 PolarHBondContact O-N 2.9Å; S673-K677 PolarHBondContact O-N 3.47Å
674	E	90.1	Very high	88.2	Confident	19 Å²	19	54.7 Å²	54.7	9%	0.089	28%	0.28	C	S	.	.	H	α-helix	trans	-66.9	-46.3	175.4	-69	152.6	-175.2	0	0	111.2	M662 L670 N671 R676 K677 L678	M662-E674 HydrophobicContact CB-CB 4.37Å; M662-E674 WeakPolarHBondContact O-CG 3.22Å; L670-E674 WeakPolarHBondContact CA-OE2 3.28Å; L670-E674 HydrophobicContact CB-CB 4.32Å; L670-E674 HydrophobicContact CD2-CB 3.84Å; N671-E674 VanDerWaalsContact CG-CD 3.49Å; N671-E674 VanDerWaalsContact CG-OE2 3.22Å; N671-E674 PolarHBondContact N-OE2 3.45Å; N671-E674 PolarHBondContact ND2-OE1 3.08Å; N671-E674 PolarHBondContact ND2-OE2 2.91Å; N671-E674 PolarHBondContact O-N 2.75Å; N671-E674 PolarHBondContact OD1-N 2.87Å; N671-E674 VanDerWaalsContact OD1-N 3.09Å; E674-R676 VanDerWaalsContact C-N 3.26Å; E674-R676 PolarHBondContact O-N 2.95Å; E674-K677 PolarHBondContact O-N 2.9Å; E674-K677 VanDerWaalsContact O-N 3.14Å; E674-L678 PolarHBondContact O-N 2.88Å
675	F	91.2	Very high	89	Confident	2 Å²	2	48.9 Å²	48.9	1%	0.009	24%	0.244	C	C	.	.	H	α-helix	trans	-57.7	-39.6	175.6	175.6	-108.4	0	0	0	112.3	L614 F618 I628 L633 I636 L670 N671 F672 L678 W679	L614-F675 HydrophobicContact CD1-CE1 3.73Å; L614-F675 HydrophobicContact CD1-CZ 4.15Å; L614-F675 HydrophobicContact CD2-CE1 4.19Å; L614-F675 HydrophobicContact CG-CE1 3.8Å; F618-F675 HydrophobicContact CB-CD1 4.29Å; F618-F675 HydrophobicContact CB-CE1 4.3Å; F618-F675 HydrophobicContact CD2-CB 3.9Å; F618-F675 AromaticContact CD2-CD1 3.49Å; F618-F675 HydrophobicContact CD2-CD1 3.49Å; F618-F675 VanDerWaalsContact CD2-CD1 3.49Å; F618-F675 HydrophobicContact CD2-CD2 4.44Å; F618-F675 HydrophobicContact CD2-CE1 4.09Å; F618-F675 AromaticContact CD2-CG 3.68Å; F618-F675 HydrophobicContact CD2-CG 3.68Å; F618-F675 HydrophobicContact CE2-CB 3.75Å; F618-F675 HydrophobicContact CE2-CD1 4.24Å; F618-F675 HydrophobicContact CE2-CG 4.01Å; F618-F675 HydrophobicContact CG-CD1 4.27Å; I628-F675 HydrophobicContact CD1-CB 4.23Å; I628-F675 HydrophobicContact CD1-CD2 3.42Å; I628-F675 VanDerWaalsContact CD1-CD2 3.42Å; I628-F675 HydrophobicContact CD1-CE2 3.95Å; I628-F675 HydrophobicContact CD1-CG 3.94Å; L633-F675 HydrophobicContact CD1-CD2 4.02Å; L633-F675 HydrophobicContact CD1-CE2 3.8Å; I636-F675 HydrophobicContact CG2-CE2 4.34Å; I636-F675 HydrophobicContact CG2-CZ 3.93Å; L670-F675 HydrophobicContact CB-CB 4.47Å; N671-F675 WeakPolarHBondContact O-CB 3.23Å; N671-F675 PolarHBondContact O-N 3.15Å; F672-F675 HydrophobicContact CD2-CD1 4.23Å; F672-F675 HydrophobicContact CE2-CD1 4.32Å; F675-L678 WeakPolarHBondContact O-CB 3.23Å; F675-L678 PolarHBondContact O-N 3.12Å; F675-W679 HydrophobicContact CE1-CE3 4.34Å; F675-W679 HydrophobicContact CE2-CE3 4.06Å; F675-W679 HydrophobicContact CZ-CD2 4.47Å; F675-W679 AromaticContact CZ-CE3 3.59Å; F675-W679 HydrophobicContact CZ-CE3 3.59Å; F675-W679 AromaticContact CZ-CZ3 3.96Å; F675-W679 HydrophobicContact CZ-CZ3 3.96Å; F675-W679 WeakPolarHBondContact O-CB 3.48Å; F675-W679 PolarHBondContact O-N 3.38Å
676	R	89.6	Confident	89.6	Confident	100 Å²	100	45.8 Å²	45.8	38%	0.377	23%	0.226	S	C	.	.	H	α-helix	trans	-62.9	-44.6	176.8	-179.4	179.2	175.9	176.9	2.2	111.8	F672 S673 E674 W679 D680	F672-R676 HydrophobicContact CE1-CB 4.48Å; F672-R676 VanDerWaalsContact O-CB 3.27Å; F672-R676 WeakPolarHBondContact O-CB 3.3Å; F672-R676 PolarHBondContact O-N 3.06Å; S673-R676 PolarHBondContact O-N 2.9Å; E674-R676 VanDerWaalsContact C-N 3.26Å; E674-R676 PolarHBondContact O-N 2.95Å; R676-W679 WeakPolarHBondContact O-CB 3.27Å; R676-W679 PolarHBondContact O-N 3.37Å; R676-D680 PolarHBondContact O-N 3.07Å
677	K	88.5	Confident	90	Very high	126 Å²	126	39.5 Å²	39.5	55%	0.548	21%	0.207	S	C	.	.	H	α-helix	trans	-62.5	-45.1	176.5	-69.4	175.6	-176.2	174	0	111.3	M662 S673 E674 W679 D680 L681	M662-K677 HydrophobicContact SD-CB 4.19Å; S673-K677 PolarHBondContact O-N 3.47Å; E674-K677 PolarHBondContact O-N 2.9Å; E674-K677 VanDerWaalsContact O-N 3.14Å; K677-W679 VanDerWaalsContact C-N 3.27Å; K677-W679 PolarHBondContact O-N 3.27Å; K677-D680 PolarHBondContact O-N 3.22Å; K677-L681 PolarHBondContact O-N 3.26Å
678	L	91.6	Very high	90.3	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-56.7	-44.4	174.5	179.9	58	0	0	0	111.4	L633 M658 M661 M662 L670 E674 F675 D680 L681 L682	L633-L678 HydrophobicContact CD1-CD2 4.22Å; L633-L678 HydrophobicContact CD2-CD2 4.04Å; M658-L678 HydrophobicContact CB-CD1 3.95Å; M658-L678 HydrophobicContact CB-CD2 4.02Å; M658-L678 HydrophobicContact CG-CD1 4.03Å; M658-L678 HydrophobicContact SD-CD1 4.12Å; M658-L678 HydrophobicContact SD-CD2 4.49Å; M661-L678 HydrophobicContact CE-CD1 3.59Å; M662-L678 HydrophobicContact CG-CB 3.88Å; M662-L678 HydrophobicContact CG-CD1 4.05Å; M662-L678 HydrophobicContact CG-CG 4.36Å; M662-L678 HydrophobicContact SD-CB 3.97Å; L670-L678 HydrophobicContact CD1-CD2 3.74Å; E674-L678 PolarHBondContact O-N 2.88Å; F675-L678 WeakPolarHBondContact O-CB 3.23Å; F675-L678 PolarHBondContact O-N 3.12Å; L678-D680 VanDerWaalsContact C-N 3.35Å; L678-D680 PolarHBondContact O-N 3.3Å; L678-L681 PolarHBondContact O-N 3.11Å; L678-L682 HydrophobicContact CD1-CD1 4.25Å; L678-L682 HydrophobicContact CD1-CG 4.24Å; L678-L682 HydrophobicContact CG-CD1 3.97Å; L678-L682 HydrophobicContact CG-CG 4.4Å; L678-L682 WeakPolarHBondContact O-CB 3.4Å; L678-L682 WeakPolarHBondContact O-CG 3.25Å; L678-L682 PolarHBondContact O-N 3.19Å
679	W	91.1	Very high	90.6	Very high	38 Å²	38	35.4 Å²	35.4	14%	0.144	17%	0.172	C	C	.	.	H	α-helix	trans	-62.4	-42.2	-179.4	-169.8	-91.2	0	0	0	112.3	L614 I636 L637 A640 F641 F675 R676 K677 L682 R683	L614-W679 HydrophobicContact CD1-CD2 3.61Å; L614-W679 HydrophobicContact CD1-CE3 3.92Å; L614-W679 HydrophobicContact CD1-CG 4.04Å; L614-W679 HydrophobicContact CD1-CH2 4.14Å; L614-W679 HydrophobicContact CD1-CZ2 3.89Å; L614-W679 HydrophobicContact CD1-CZ3 4.15Å; L614-W679 HydrophobicContact CD2-CB 4.06Å; L614-W679 HydrophobicContact CD2-CD2 4.25Å; L614-W679 HydrophobicContact CD2-CG 3.77Å; I636-W679 HydrophobicContact CG2-CZ3 4.37Å; L637-W679 HydrophobicContact CD2-CE3 4.11Å; L637-W679 HydrophobicContact CD2-CZ3 3.78Å; A640-W679 HydrophobicContact CB-CH2 3.58Å; A640-W679 HydrophobicContact CB-CZ2 4.48Å; A640-W679 HydrophobicContact CB-CZ3 4.36Å; F641-W679 HydrophobicContact CE2-CE3 4.49Å; F641-W679 AromaticContact CE2-CH2 3.84Å; F641-W679 HydrophobicContact CE2-CH2 3.84Å; F641-W679 HydrophobicContact CE2-CZ2 4.31Å; F641-W679 AromaticContact CE2-CZ3 3.94Å; F641-W679 HydrophobicContact CE2-CZ3 3.94Å; F675-W679 HydrophobicContact CE1-CE3 4.34Å; F675-W679 HydrophobicContact CE2-CE3 4.06Å; F675-W679 HydrophobicContact CZ-CD2 4.47Å; F675-W679 AromaticContact CZ-CE3 3.59Å; F675-W679 HydrophobicContact CZ-CE3 3.59Å; F675-W679 AromaticContact CZ-CZ3 3.96Å; F675-W679 HydrophobicContact CZ-CZ3 3.96Å; F675-W679 WeakPolarHBondContact O-CB 3.48Å; F675-W679 PolarHBondContact O-N 3.38Å; R676-W679 WeakPolarHBondContact O-CB 3.27Å; R676-W679 PolarHBondContact O-N 3.37Å; K677-W679 VanDerWaalsContact C-N 3.27Å; K677-W679 PolarHBondContact O-N 3.27Å; W679-L682 PolarHBondContact O-N 2.83Å; W679-R683 WeakPolarHBondContact O-CG 3.34Å; W679-R683 PolarHBondContact O-N 3.31Å
680	D	88.8	Confident	90.6	Very high	53 Å²	53	37 Å²	37	28%	0.283	18%	0.178	S	C	.	.	H	α-helix	trans	-64.7	-41.5	176.3	-74.9	-33.5	0	0	0	111.6	L606 R676 K677 L678 R683 V684	L606-D680 WeakPolarHBondContact CD1-OD1 3.37Å; R676-D680 PolarHBondContact O-N 3.07Å; K677-D680 PolarHBondContact O-N 3.22Å; L678-D680 VanDerWaalsContact C-N 3.35Å; L678-D680 PolarHBondContact O-N 3.3Å; D680-R683 PolarHBondContact O-N 2.94Å; D680-R683 IonicContact OD1-NH1 3.86Å; D680-V684 PolarHBondContact O-N 3.03Å
681	L	90.7	Very high	90.5	Very high	49 Å²	49	40.5 Å²	40.5	26%	0.257	19%	0.194	S	C	.	.	H	α-helix	trans	-60.8	-46	172.7	-73.6	171.6	0	0	0	112.2	M661 M662 K677 L678 R683 V684 W685	M661-L681 HydrophobicContact CE-CD1 3.86Å; M662-L681 HydrophobicContact CE-CD1 4Å; M662-L681 HydrophobicContact SD-CD1 4.24Å; K677-L681 PolarHBondContact O-N 3.26Å; L678-L681 PolarHBondContact O-N 3.11Å; L681-R683 VanDerWaalsContact C-N 3.25Å; L681-R683 PolarHBondContact O-N 3.16Å; L681-V684 WeakPolarHBondContact O-CA 3.48Å; L681-V684 WeakPolarHBondContact O-CB 3.43Å; L681-V684 PolarHBondContact O-N 2.89Å; L681-W685 HydrophobicContact CB-CZ2 4.29Å; L681-W685 PolarHBondContact O-N 2.65Å
682	L	92.5	Very high	90.5	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-61.5	-33.9	178.9	-76.9	170.8	0	0	0	112.6	L637 F641 F650 M658 L678 W679 W685 K686 V741	L637-L682 HydrophobicContact CD1-CD1 4.14Å; L637-L682 HydrophobicContact CD2-CD1 3.64Å; F641-L682 HydrophobicContact CE1-CB 4.4Å; F641-L682 HydrophobicContact CZ-CB 3.92Å; F650-L682 HydrophobicContact CZ-CD2 4.35Å; M658-L682 HydrophobicContact SD-CD1 4Å; M658-L682 HydrophobicContact SD-CD2 3.73Å; M658-L682 HydrophobicContact SD-CG 4.27Å; L678-L682 HydrophobicContact CD1-CD1 4.25Å; L678-L682 HydrophobicContact CD1-CG 4.24Å; L678-L682 HydrophobicContact CG-CD1 3.97Å; L678-L682 HydrophobicContact CG-CG 4.4Å; L678-L682 WeakPolarHBondContact O-CB 3.4Å; L678-L682 WeakPolarHBondContact O-CG 3.25Å; L678-L682 PolarHBondContact O-N 3.19Å; W679-L682 PolarHBondContact O-N 2.83Å; L682-W685 HydrophobicContact CD2-CE3 4.02Å; L682-W685 HydrophobicContact CD2-CZ3 4.37Å; L682-K686 WeakPolarHBondContact O-CB 3.43Å; L682-K686 PolarHBondContact O-N 2.89Å; L682-V741 HydrophobicContact CD2-CG1 3.78Å; L682-V741 HydrophobicContact CD2-CG2 4.2Å
683	R	90.2	Very high	90.5	Very high	57 Å²	57	39.2 Å²	39.2	22%	0.215	19%	0.187	C	C	.	.	H	α-helix	trans	-66.2	-40.6	174.3	-71.7	177	66.6	-139.9	-3.5	111.6	V603 K604 W679 D680 L681 S687	V603-R683 HydrophobicContact CG1-CB 3.79Å; K604-R683 PolarHBondContact O-NH1 3.11Å; K604-R683 PolarHBondContact O-NH2 3.19Å; W679-R683 WeakPolarHBondContact O-CG 3.34Å; W679-R683 PolarHBondContact O-N 3.31Å; D680-R683 PolarHBondContact O-N 2.94Å; D680-R683 IonicContact OD1-NH1 3.86Å; L681-R683 VanDerWaalsContact C-N 3.25Å; L681-R683 PolarHBondContact O-N 3.16Å; R683-S687 WeakPolarHBondContact O-CB 3.41Å; R683-S687 PolarHBondContact O-N 3.04Å
684	V	90.1	Very high	90.3	Very high	31 Å²	31	41 Å²	41	19%	0.188	20%	0.195	C	C	.	.	H	α-helix	trans	-62.6	-53	174.5	169.5	0	0	0	0	110.8	L595 V603 D680 L681 K686 S687 A688 V712	L595-V684 HydrophobicContact CD1-CB 4.47Å; L595-V684 HydrophobicContact CD1-CG1 3.34Å; L595-V684 HydrophobicContact CD1-CG2 4.33Å; L595-V684 HydrophobicContact CD2-CG1 3.92Å; L595-V684 HydrophobicContact CG-CG1 4.27Å; V603-V684 HydrophobicContact CB-CG2 4.2Å; V603-V684 HydrophobicContact CG1-CG2 4.49Å; V603-V684 HydrophobicContact CG2-CG2 4.2Å; D680-V684 PolarHBondContact O-N 3.03Å; L681-V684 WeakPolarHBondContact O-CA 3.48Å; L681-V684 WeakPolarHBondContact O-CB 3.43Å; L681-V684 PolarHBondContact O-N 2.89Å; V684-K686 VanDerWaalsContact C-N 3.31Å; V684-K686 PolarHBondContact O-N 2.95Å; V684-S687 WeakPolarHBondContact O-CB 3.44Å; V684-S687 PolarHBondContact O-N 3.03Å; V684-S687 VanDerWaalsContact O-N 3.09Å; V684-A688 PolarHBondContact O-N 2.88Å; V684-V712 HydrophobicContact CG1-CG1 4.42Å
685	W	92.6	Very high	90.2	Very high	5 Å²	5	45.2 Å²	45.2	2%	0.019	22%	0.218	C	C	.	.	H	α-helix	trans	-62.1	-39.6	-179.4	-61.4	-17.4	0	0	0	111.9	M661 L681 L682 A688 F689 Y740 V741 C744 A745	M661-W685 HydrophobicContact CE-CH2 3.73Å; M661-W685 HydrophobicContact CE-CZ3 4.39Å; M661-W685 HydrophobicContact SD-CH2 3.69Å; M661-W685 HydrophobicContact SD-CZ2 4.34Å; L681-W685 HydrophobicContact CB-CZ2 4.29Å; L681-W685 PolarHBondContact O-N 2.65Å; L682-W685 HydrophobicContact CD2-CE3 4.02Å; L682-W685 HydrophobicContact CD2-CZ3 4.37Å; W685-A688 PolarHBondContact O-N 3Å; W685-F689 WeakPolarHBondContact O-CB 3.34Å; W685-F689 PolarHBondContact O-N 2.9Å; W685-Y740 HydrophobicContact CB-CE1 3.93Å; W685-Y740 WeakPolarHBondContact O-CE1 3.28Å; W685-V741 HydrophobicContact CE3-CG1 4.03Å; W685-V741 HydrophobicContact CE3-CG2 4.42Å; W685-V741 HydrophobicContact CZ3-CG1 3.98Å; W685-C744 HydrophobicContact CD2-CB 3.69Å; W685-C744 HydrophobicContact CE3-CB 3.9Å; W685-C744 HydrophobicContact CG-CB 4.3Å; W685-C744 HydrophobicContact CH2-CB 3.87Å; W685-C744 HydrophobicContact CZ2-CB 3.67Å; W685-C744 HydrophobicContact CZ3-CB 3.99Å; W685-A745 HydrophobicContact CH2-CB 4.18Å; W685-A745 HydrophobicContact CZ3-CB 4.36Å
686	K	91.4	Very high	89.9	Confident	29 Å²	29	53.3 Å²	53.3	13%	0.126	25%	0.253	C	S	.	.	H	α-helix	trans	-62	-41.2	173	174.9	173.7	170.5	178.3	0	113	F641 D644 F645 L682 V684 F689 K690 F737	F641-K686 HydrophobicContact CD1-CD 3.65Å; F641-K686 HydrophobicContact CE1-CB 4.17Å; F641-K686 HydrophobicContact CE1-CD 3.46Å; F641-K686 VanDerWaalsContact CE1-CD 3.46Å; F641-K686 HydrophobicContact CE1-CG 4.4Å; F641-K686 HydrophobicContact CZ-CD 4.49Å; D644-K686 VanDerWaalsContact CG-NZ 3.27Å; D644-K686 WeakPolarHBondContact OD2-CE 3.34Å; D644-K686 IonicContact OD2-NZ 2.65Å; D644-K686 PolarHBondContact OD2-NZ 2.82Å; F645-K686 HydrophobicContact CE1-CD 4.04Å; F645-K686 HydrophobicContact CE1-CG 4.06Å; L682-K686 WeakPolarHBondContact O-CB 3.43Å; L682-K686 PolarHBondContact O-N 2.89Å; V684-K686 VanDerWaalsContact C-N 3.31Å; V684-K686 PolarHBondContact O-N 2.95Å; K686-F689 PolarHBondContact O-N 2.95Å; K686-K690 PolarHBondContact O-N 2.98Å; K686-F737 HydrophobicContact CB-CE2 4.23Å; K686-F737 HydrophobicContact CB-CZ 3.91Å; K686-F737 HydrophobicContact CG-CZ 4.46Å
687	S	89.9	Confident	89.8	Confident	30 Å²	30	51.4 Å²	51.4	21%	0.21	26%	0.255	C	S	.	.	H	α-helix	trans	-60.5	-49.4	177.2	-167.5	0	0	0	0	110.4	R683 V684 F689 K690 Q691	R683-S687 WeakPolarHBondContact O-CB 3.41Å; R683-S687 PolarHBondContact O-N 3.04Å; V684-S687 WeakPolarHBondContact O-CB 3.44Å; V684-S687 PolarHBondContact O-N 3.03Å; V684-S687 VanDerWaalsContact O-N 3.09Å; S687-F689 PolarHBondContact O-N 2.66Å; S687-K690 PolarHBondContact O-N 3.18Å; S687-Q691 PolarHBondContact O-N 2.93Å
688	A	91.4	Very high	89.7	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-58.8	-47.3	175.6	0	0	0	0	0	111.6	V684 W685 K690 Q691 F692 V712	V684-A688 PolarHBondContact O-N 2.88Å; W685-A688 PolarHBondContact O-N 3Å; A688-K690 PolarHBondContact O-N 3.03Å; A688-Q691 WeakPolarHBondContact O-CB 3.04Å; A688-Q691 PolarHBondContact O-N 3.36Å; A688-Q691 VanDerWaalsContact O-N 3.09Å; A688-F692 WeakPolarHBondContact O-CD2 3.16Å; A688-F692 PolarHBondContact O-N 2.71Å; A688-F692 VanDerWaalsContact O-N 3.07Å; A688-V712 HydrophobicContact CB-CG1 3.47Å; A688-V712 VanDerWaalsContact CB-CG1 3.47Å
689	F	92	Very high	89.7	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-56.5	-49.9	177.5	-175	-87.9	0	0	0	111.9	F645 W685 K686 S687 Q691 F692 D693 M700 F737 Y740	F645-F689 HydrophobicContact CD2-CE1 4.43Å; F645-F689 HydrophobicContact CE2-CD1 4.12Å; F645-F689 AromaticContact CE2-CE1 3.9Å; F645-F689 HydrophobicContact CE2-CE1 3.9Å; F645-F689 HydrophobicContact CZ-CD1 4.45Å; W685-F689 WeakPolarHBondContact O-CB 3.34Å; W685-F689 PolarHBondContact O-N 2.9Å; K686-F689 PolarHBondContact O-N 2.95Å; S687-F689 PolarHBondContact O-N 2.66Å; F689-Q691 PolarHBondContact O-N 2.72Å; F689-F692 PolarHBondContact O-N 3.32Å; F689-D693 HydrophobicContact CD1-CB 4.21Å; F689-D693 HydrophobicContact CE1-CB 3.94Å; F689-D693 HydrophobicContact CZ-CB 4.43Å; F689-D693 WeakPolarHBondContact O-CB 3.15Å; F689-D693 PolarHBondContact O-N 2.8Å; F689-M700 HydrophobicContact CD2-CE 3.48Å; F689-M700 VanDerWaalsContact CD2-CE 3.48Å; F689-M700 HydrophobicContact CD2-CG 3.95Å; F689-M700 HydrophobicContact CD2-SD 3.76Å; F689-M700 HydrophobicContact CE2-CB 4.45Å; F689-M700 HydrophobicContact CE2-CE 3.79Å; F689-M700 HydrophobicContact CE2-CG 3.69Å; F689-M700 HydrophobicContact CE2-SD 4.12Å; F689-M700 HydrophobicContact CG-SD 4.48Å; F689-M700 HydrophobicContact CZ-CG 4.27Å; F689-F737 HydrophobicContact CB-CD2 3.8Å; F689-F737 HydrophobicContact CB-CE2 3.86Å; F689-F737 HydrophobicContact CD1-CB 4.48Å; F689-F737 AromaticContact CD1-CD2 3.86Å; F689-F737 HydrophobicContact CD1-CD2 3.86Å; F689-F737 HydrophobicContact CD1-CG 4.49Å; F689-F737 HydrophobicContact CD2-CB 4.32Å; F689-F737 AromaticContact CD2-CD2 3.57Å; F689-F737 HydrophobicContact CD2-CD2 3.57Å; F689-F737 HydrophobicContact CD2-CE2 4.42Å; F689-F737 HydrophobicContact CD2-CG 4.43Å; F689-F737 HydrophobicContact CE1-CB 4.13Å; F689-F737 HydrophobicContact CE1-CD2 4.34Å; F689-F737 HydrophobicContact CE2-CB 3.92Å; F689-F737 HydrophobicContact CE2-CD2 4.06Å; F689-F737 AromaticContact CG-CD2 3.45Å; F689-F737 HydrophobicContact CG-CD2 3.45Å; F689-F737 VanDerWaalsContact CG-CD2 3.45Å; F689-F737 HydrophobicContact CG-CE2 4.05Å; F689-F737 HydrophobicContact CG-CG 4.41Å; F689-F737 HydrophobicContact CZ-CB 3.82Å; F689-F737 HydrophobicContact CZ-CD2 4.42Å; F689-Y740 HydrophobicContact CB-CD1 4.18Å; F689-Y740 HydrophobicContact CB-CE1 4Å; F689-Y740 AromaticContact CD2-CD1 3.75Å; F689-Y740 HydrophobicContact CD2-CD1 3.75Å; F689-Y740 HydrophobicContact CD2-CE1 4.35Å; F689-Y740 HydrophobicContact CD2-CG 4.1Å; F689-Y740 HydrophobicContact CG-CD1 4.4Å
690	K	90.1	Very high	89.8	Confident	90 Å²	90	44.9 Å²	44.9	39%	0.391	23%	0.232	S	C	.	.	H	α-helix	trans	-63.6	-26.7	178.7	-76	-170.2	170.4	-167.9	0	113	D644 F645 K686 S687 A688	D644-K690 PolarHBondContact O-NZ 2.99Å; D644-K690 IonicContact OD1-NZ 2.84Å; D644-K690 PolarHBondContact OD1-NZ 3.47Å; F645-K690 VanDerWaalsContact CD1-CE 3.43Å; K686-K690 PolarHBondContact O-N 2.98Å; S687-K690 PolarHBondContact O-N 3.18Å; A688-K690 PolarHBondContact O-N 3.03Å
691	Q	89.9	Confident	89.9	Confident	73 Å²	73	45.7 Å²	45.7	34%	0.341	24%	0.237	S	C	.	.	H	α-helix	trans	-74.4	-40.1	177.4	-177.7	178.9	9.3	0	0	112	S687 A688 F689 H711	S687-Q691 PolarHBondContact O-N 2.93Å; A688-Q691 WeakPolarHBondContact O-CB 3.04Å; A688-Q691 PolarHBondContact O-N 3.36Å; A688-Q691 VanDerWaalsContact O-N 3.09Å; F689-Q691 PolarHBondContact O-N 2.72Å; Q691-H711 PolarHBondContact OE1-NE2 3.3Å
692	F	90.6	Very high	89.8	Confident	40 Å²	40	43.8 Å²	43.8	18%	0.175	23%	0.227	C	C	.	.	H	α-helix	trans	-93.3	-21.1	-176.8	-67.4	-73.8	0	0	0	113.9	A688 F689 T694 M700 E704 N707 A708 H711	A688-F692 WeakPolarHBondContact O-CD2 3.16Å; A688-F692 PolarHBondContact O-N 2.71Å; A688-F692 VanDerWaalsContact O-N 3.07Å; F689-F692 PolarHBondContact O-N 3.32Å; F692-T694 PolarHBondContact O-N 2.6Å; F692-M700 HydrophobicContact CB-SD 4.07Å; F692-E704 HydrophobicContact CB-CB 4.26Å; F692-E704 WeakPolarHBondContact O-CG 3.3Å; F692-E704 VanDerWaalsContact O-OE1 3.1Å; F692-N707 HydrophobicContact CD1-CB 3.73Å; F692-N707 HydrophobicContact CE1-CB 3.57Å; F692-N707 HydrophobicContact CG-CB 4.43Å; F692-N707 HydrophobicContact CZ-CB 4.17Å; F692-A708 HydrophobicContact CB-CB 4.33Å; F692-A708 HydrophobicContact CD2-CB 3.7Å; F692-A708 HydrophobicContact CE2-CB 4.4Å; F692-A708 HydrophobicContact CG-CB 4.2Å; F692-H711 HydrophobicContact CE2-CB 3.47Å; F692-H711 VanDerWaalsContact CE2-CB 3.47Å; F692-H711 AromaticContact CE2-CD2 3.99Å; F692-H711 AromaticContact CE2-CG 3.66Å; F692-H711 HydrophobicContact CZ-CB 3.81Å
693	D	90.2	Very high	89.6	Confident	10 Å²	10	45.4 Å²	45.4	5%	0.053	24%	0.236	C	C	.	.			trans	-72.9	70.2	167.2	-178.9	13.8	0	0	0	110.1	F689 D695 K696 S697 G698 M700	F689-D693 HydrophobicContact CD1-CB 4.21Å; F689-D693 HydrophobicContact CE1-CB 3.94Å; F689-D693 HydrophobicContact CZ-CB 4.43Å; F689-D693 WeakPolarHBondContact O-CB 3.15Å; F689-D693 PolarHBondContact O-N 2.8Å; D693-D695 VanDerWaalsContact C-N 3.33Å; D693-D695 PolarHBondContact O-N 2.73Å; D693-K696 PolarHBondContact O-N 2.71Å; D693-K696 VanDerWaalsContact OD1-CA 3.3Å; D693-K696 WeakPolarHBondContact OD1-CA 3.5Å; D693-K696 PolarHBondContact OD1-N 3.21Å; D693-K696 VanDerWaalsContact OD1-N 3.13Å; D693-S697 PolarHBondContact OD1-N 3.09Å; D693-G698 WeakPolarHBondContact OD2-CA 3.45Å; D693-G698 PolarHBondContact OD2-N 3.48Å; D693-M700 HydrophobicContact CB-CG 4.46Å
694	T	84.4	Confident	89.7	Confident	109 Å²	109	43.7 Å²	43.7	67%	0.669	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69	-30.8	-170	56	0	0	0	0	113.2	F692 K696 E704	F692-T694 PolarHBondContact O-N 2.6Å; T694-K696 VanDerWaalsContact C-N 3.32Å; T694-E704 PolarHBondContact OG1-OE1 3.38Å
695	D	87	Confident	89.9	Confident	108 Å²	108	42.2 Å²	42.2	58%	0.578	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-5	176.4	69.4	-2.9	0	0	0	113	D693 S697	D693-D695 VanDerWaalsContact C-N 3.33Å; D693-D695 PolarHBondContact O-N 2.73Å; D695-S697 PolarHBondContact O-N 3.09Å; D695-S697 WeakPolarHBondContact OD1-CB 3.47Å; D695-S697 PolarHBondContact OD1-N 3.05Å; D695-S697 VanDerWaalsContact OD1-N 3.09Å
696	K	85.2	Confident	89.8	Confident	172 Å²	172	42.8 Å²	42.8	75%	0.748	22%	0.224	S	C	*	.			trans	57.4	34.2	-179.6	-55.6	179.3	-179.6	177.4	0	111.9	D693 T694 G698	D693-K696 PolarHBondContact O-N 2.71Å; D693-K696 VanDerWaalsContact OD1-CA 3.3Å; D693-K696 WeakPolarHBondContact OD1-CA 3.5Å; D693-K696 PolarHBondContact OD1-N 3.21Å; D693-K696 VanDerWaalsContact OD1-N 3.13Å; T694-K696 VanDerWaalsContact C-N 3.32Å; K696-G698 PolarHBondContact O-N 2.78Å
697	S	87	Confident	89.7	Confident	59 Å²	59	44 Å²	44	41%	0.413	23%	0.231	S	C	.	.			trans	-72	-12.9	-179.9	85.7	0	0	0	0	112.2	D693 D695 S699	D693-S697 PolarHBondContact OD1-N 3.09Å; D695-S697 PolarHBondContact O-N 3.09Å; D695-S697 WeakPolarHBondContact OD1-CB 3.47Å; D695-S697 PolarHBondContact OD1-N 3.05Å; D695-S697 VanDerWaalsContact OD1-N 3.09Å; S697-S699 VanDerWaalsContact C-N 3.3Å; S697-S699 PolarHBondContact OG-N 3.11Å; S697-S699 PolarHBondContact OG-O 3.01Å; S697-S699 PolarHBondContact OG-OG 3.19Å
698	G	86.6	Confident	89.8	Confident	7 Å²	7	42.5 Å²	42.5	7%	0.072	22%	0.221	C	C	.	.	S	Bend	trans	81.2	12.8	-171.4	0	0	0	0	0	112.8	T646 D693 K696	T646-G698 WeakPolarHBondContact O-CA 3.37Å; D693-G698 WeakPolarHBondContact OD2-CA 3.45Å; D693-G698 PolarHBondContact OD2-N 3.48Å; K696-G698 PolarHBondContact O-N 2.78Å
699	S	92.3	Very high	89.9	Confident	20 Å²	20	42.6 Å²	42.6	14%	0.14	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	146.1	178.6	63.4	0	0	0	0	110.6	S697 V735	S697-S699 VanDerWaalsContact C-N 3.3Å; S697-S699 PolarHBondContact OG-N 3.11Å; S697-S699 PolarHBondContact OG-O 3.01Å; S697-S699 PolarHBondContact OG-OG 3.19Å; S699-V735 CarbonylContact C-O 3.57Å; S699-V735 WeakPolarHBondContact CA-O 3.26Å
700	M	92.9	Very high	89.8	Confident	0 Å²	0	47 Å²	47	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	144.2	173.9	-71.4	-176.5	-55.4	0	0	111	F689 F692 D693 E704 L705 A708 S734 V735 Y740	F689-M700 HydrophobicContact CD2-CE 3.48Å; F689-M700 VanDerWaalsContact CD2-CE 3.48Å; F689-M700 HydrophobicContact CD2-CG 3.95Å; F689-M700 HydrophobicContact CD2-SD 3.76Å; F689-M700 HydrophobicContact CE2-CB 4.45Å; F689-M700 HydrophobicContact CE2-CE 3.79Å; F689-M700 HydrophobicContact CE2-CG 3.69Å; F689-M700 HydrophobicContact CE2-SD 4.12Å; F689-M700 HydrophobicContact CG-SD 4.48Å; F689-M700 HydrophobicContact CZ-CG 4.27Å; F692-M700 HydrophobicContact CB-SD 4.07Å; D693-M700 HydrophobicContact CB-CG 4.46Å; M700-E704 WeakPolarHBondContact CA-OE2 3.36Å; M700-E704 HydrophobicContact CB-CB 3.75Å; M700-E704 HydrophobicContact CG-CB 3.9Å; M700-E704 HydrophobicContact SD-CB 4.23Å; M700-L705 HydrophobicContact CE-CB 4.43Å; M700-L705 HydrophobicContact CE-CD1 3.95Å; M700-A708 HydrophobicContact CE-CB 3.99Å; M700-A708 HydrophobicContact SD-CB 3.73Å; M700-S734 CarbonylContact O-C 3.57Å; M700-V735 PolarHBondContact N-O 2.99Å; M700-V735 WeakPolarHBondContact O-CB 3.49Å; M700-V735 PolarHBondContact O-N 2.95Å; M700-Y740 HydrophobicContact CE-CD1 4.2Å; M700-Y740 HydrophobicContact CE-CD2 3.39Å; M700-Y740 HydrophobicContact CE-CE2 3.89Å; M700-Y740 HydrophobicContact CE-CG 3.54Å
701	N	91.3	Very high	89.7	Confident	70 Å²	70	43.4 Å²	43.4	37%	0.374	23%	0.225	S	C	.	.			trans	-73.5	175.5	158.5	69.9	58.5	0	0	0	110.2	I703 E704 L705	N701-I703 VanDerWaalsContact C-N 3.33Å; N701-I703 PolarHBondContact O-N 3.01Å; N701-I703 WeakPolarHBondContact OD1-CA 3.46Å; N701-I703 WeakPolarHBondContact OD1-CB 3.38Å; N701-I703 PolarHBondContact OD1-N 3.48Å; N701-E704 VanDerWaalsContact CG-OE2 3.29Å; N701-E704 PolarHBondContact N-OE2 2.8Å; N701-E704 PolarHBondContact ND2-OE1 3.42Å; N701-E704 PolarHBondContact ND2-OE2 3.32Å; N701-E704 PolarHBondContact O-N 3.08Å; N701-E704 PolarHBondContact OD1-N 3.37Å; N701-L705 WeakPolarHBondContact O-CB 3.2Å; N701-L705 PolarHBondContact O-N 3.34Å
702	S	89.2	Confident	89.8	Confident	9 Å²	9	40.5 Å²	40.5	6%	0.063	21%	0.213	C	C	.	.	H	α-helix	trans	-66.4	-31.6	-176.8	55.5	0	0	0	0	114	R446 L705 R706 F721	R446-S702 WeakPolarHBondContact CB-OG 3.34Å; R446-S702 WeakPolarHBondContact O-CB 3.44Å; R446-S702 PolarHBondContact O-OG 2.87Å; S702-L705 PolarHBondContact O-N 2.92Å; S702-R706 PolarHBondContact O-N 3.18Å; S702-F721 WeakPolarHBondContact O-CZ 3.35Å
703	I	88.3	Confident	89.8	Confident	35 Å²	35	38.8 Å²	38.8	18%	0.179	21%	0.206	C	C	.	.	H	α-helix	trans	-69.7	-44.6	178.4	-60.4	176.5	0	0	0	109.5	T458 W460 I461 N701 L705 R706 N707	T458-I703 HydrophobicContact CG2-CD1 3.69Å; W460-I703 HydrophobicContact CH2-CG2 4.38Å; W460-I703 HydrophobicContact CZ2-CG2 3.61Å; I461-I703 HydrophobicContact CD1-CD1 4.09Å; I461-I703 HydrophobicContact CD1-CG1 4.28Å; I461-I703 HydrophobicContact CG2-CD1 4.46Å; I461-I703 HydrophobicContact CG2-CG1 4.37Å; N701-I703 VanDerWaalsContact C-N 3.33Å; N701-I703 PolarHBondContact O-N 3.01Å; N701-I703 WeakPolarHBondContact OD1-CA 3.46Å; N701-I703 WeakPolarHBondContact OD1-CB 3.38Å; N701-I703 PolarHBondContact OD1-N 3.48Å; I703-L705 VanDerWaalsContact C-N 3.34Å; I703-L705 PolarHBondContact O-N 2.64Å; I703-R706 PolarHBondContact O-N 2.73Å; I703-N707 PolarHBondContact O-N 3.29Å; I703-N707 PolarHBondContact O-ND2 2.88Å
704	E	91.7	Very high	89.9	Confident	21 Å²	21	38.5 Å²	38.5	10%	0.098	20%	0.204	C	C	.	.	H	α-helix	trans	-60.6	-43.6	173.6	-68.2	168	159.2	0	0	111.1	F692 T694 M700 N701 R706 N707 A708	F692-E704 HydrophobicContact CB-CB 4.26Å; F692-E704 WeakPolarHBondContact O-CG 3.3Å; F692-E704 VanDerWaalsContact O-OE1 3.1Å; T694-E704 PolarHBondContact OG1-OE1 3.38Å; M700-E704 WeakPolarHBondContact CA-OE2 3.36Å; M700-E704 HydrophobicContact CB-CB 3.75Å; M700-E704 HydrophobicContact CG-CB 3.9Å; M700-E704 HydrophobicContact SD-CB 4.23Å; N701-E704 VanDerWaalsContact CG-OE2 3.29Å; N701-E704 PolarHBondContact N-OE2 2.8Å; N701-E704 PolarHBondContact ND2-OE1 3.42Å; N701-E704 PolarHBondContact ND2-OE2 3.32Å; N701-E704 PolarHBondContact O-N 3.08Å; N701-E704 PolarHBondContact OD1-N 3.37Å; E704-R706 PolarHBondContact O-N 2.78Å; E704-N707 PolarHBondContact O-N 3.3Å; E704-A708 VanDerWaalsContact O-CB 3.29Å; E704-A708 WeakPolarHBondContact O-CB 3.42Å; E704-A708 PolarHBondContact O-N 3.49Å
705	L	93.5	Very high	90	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-58.1	-47.8	175.1	175.3	65	0	0	0	111.9	M700 N701 S702 I703 N707 A708 L709 F721 V735 Y740	M700-L705 HydrophobicContact CE-CB 4.43Å; M700-L705 HydrophobicContact CE-CD1 3.95Å; N701-L705 WeakPolarHBondContact O-CB 3.2Å; N701-L705 PolarHBondContact O-N 3.34Å; S702-L705 PolarHBondContact O-N 2.92Å; I703-L705 VanDerWaalsContact C-N 3.34Å; I703-L705 PolarHBondContact O-N 2.64Å; L705-N707 VanDerWaalsContact C-N 3.32Å; L705-N707 PolarHBondContact O-N 2.86Å; L705-A708 PolarHBondContact O-N 2.97Å; L705-L709 HydrophobicContact CD1-CD1 4.01Å; L705-L709 HydrophobicContact CD1-CG 4.02Å; L705-L709 HydrophobicContact CG-CD1 4.04Å; L705-L709 HydrophobicContact CG-CG 4.42Å; L705-L709 WeakPolarHBondContact O-CB 3.49Å; L705-L709 VanDerWaalsContact O-CG 3.32Å; L705-L709 WeakPolarHBondContact O-CG 3.45Å; L705-L709 PolarHBondContact O-N 2.95Å; L705-F721 HydrophobicContact CB-CE2 4.49Å; L705-F721 HydrophobicContact CB-CZ 4.44Å; L705-F721 HydrophobicContact CD2-CE2 4.01Å; L705-F721 HydrophobicContact CD2-CZ 4.2Å; L705-F721 HydrophobicContact CG-CE2 4.03Å; L705-F721 HydrophobicContact CG-CZ 4.37Å; L705-V735 HydrophobicContact CD1-CG1 4.43Å; L705-V735 HydrophobicContact CD2-CG1 4.39Å; L705-V735 HydrophobicContact CD2-CG2 4.07Å; L705-Y740 HydrophobicContact CD1-CD2 3.58Å; L705-Y740 HydrophobicContact CD1-CE2 4.27Å
706	R	90.9	Very high	90.1	Very high	17 Å²	17	29 Å²	29	6%	0.064	15%	0.15	C	C	.	.	H	α-helix	trans	-59.4	-46.3	179.6	-174.4	-179.5	-71	-105.9	17.2	110.9	S702 I703 E704 L709 K710 N718 F721	S702-R706 PolarHBondContact O-N 3.18Å; I703-R706 PolarHBondContact O-N 2.73Å; E704-R706 PolarHBondContact O-N 2.78Å; R706-L709 PolarHBondContact O-N 3.25Å; R706-K710 PolarHBondContact O-N 2.86Å; R706-N718 PolarHBondContact NH1-OD1 2.97Å; R706-N718 PolarHBondContact NH2-OD1 3.25Å; R706-F721 HydrophobicContact CB-CD2 4.25Å; R706-F721 HydrophobicContact CB-CE1 4.39Å; R706-F721 HydrophobicContact CB-CE2 3.64Å; R706-F721 HydrophobicContact CB-CZ 3.75Å; R706-F721 HydrophobicContact CG-CD2 4.37Å; R706-F721 HydrophobicContact CG-CE2 4.24Å
707	N	89.1	Confident	90.1	Very high	53 Å²	53	22.7 Å²	22.7	28%	0.283	13%	0.125	S	C	.	.	H	α-helix	trans	-66.3	-39.9	179.5	-67.9	-26.8	0	0	0	111.9	F692 I703 E704 L705 K710 H711	F692-N707 HydrophobicContact CD1-CB 3.73Å; F692-N707 HydrophobicContact CE1-CB 3.57Å; F692-N707 HydrophobicContact CG-CB 4.43Å; F692-N707 HydrophobicContact CZ-CB 4.17Å; I703-N707 PolarHBondContact O-N 3.29Å; I703-N707 PolarHBondContact O-ND2 2.88Å; E704-N707 PolarHBondContact O-N 3.3Å; L705-N707 VanDerWaalsContact C-N 3.32Å; L705-N707 PolarHBondContact O-N 2.86Å; N707-K710 PolarHBondContact O-N 3.16Å; N707-H711 VanDerWaalsContact O-CB 3.29Å; N707-H711 WeakPolarHBondContact O-CB 3.35Å; N707-H711 PolarHBondContact O-N 3.02Å
708	A	92.8	Very high	89.9	Confident	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-63.2	-45.1	176.6	0	0	0	0	0	111.9	F692 M700 E704 L705 H711 V712 Y740	F692-A708 HydrophobicContact CB-CB 4.33Å; F692-A708 HydrophobicContact CD2-CB 3.7Å; F692-A708 HydrophobicContact CE2-CB 4.4Å; F692-A708 HydrophobicContact CG-CB 4.2Å; M700-A708 HydrophobicContact CE-CB 3.99Å; M700-A708 HydrophobicContact SD-CB 3.73Å; E704-A708 VanDerWaalsContact O-CB 3.29Å; E704-A708 WeakPolarHBondContact O-CB 3.42Å; E704-A708 PolarHBondContact O-N 3.49Å; L705-A708 PolarHBondContact O-N 2.97Å; A708-H711 WeakPolarHBondContact O-CB 3.47Å; A708-H711 PolarHBondContact O-N 3.5Å; A708-V712 WeakPolarHBondContact O-CG2 3.34Å; A708-V712 PolarHBondContact O-N 3.4Å; A708-Y740 HydrophobicContact CB-CE2 3.93Å
709	L	93.6	Very high	89.7	Confident	1 Å²	1	24 Å²	24	1%	0.005	14%	0.135	C	C	.	.	H	α-helix	trans	-60.2	-47.2	176.1	-71.5	175.5	0	0	0	111.4	L705 R706 H711 V712 G713 F714 I716 F721 L724 Y740 L747	L705-L709 HydrophobicContact CD1-CD1 4.01Å; L705-L709 HydrophobicContact CD1-CG 4.02Å; L705-L709 HydrophobicContact CG-CD1 4.04Å; L705-L709 HydrophobicContact CG-CG 4.42Å; L705-L709 WeakPolarHBondContact O-CB 3.49Å; L705-L709 VanDerWaalsContact O-CG 3.32Å; L705-L709 WeakPolarHBondContact O-CG 3.45Å; L705-L709 PolarHBondContact O-N 2.95Å; R706-L709 PolarHBondContact O-N 3.25Å; L709-H711 VanDerWaalsContact C-N 3.3Å; L709-H711 PolarHBondContact O-N 2.67Å; L709-V712 VanDerWaalsContact O-CG2 3.22Å; L709-V712 WeakPolarHBondContact O-CG2 3.38Å; L709-V712 PolarHBondContact O-N 3.44Å; L709-G713 PolarHBondContact O-N 2.85Å; L709-F714 CarbonylContact C-O 3.43Å; L709-F714 HydrophobicContact CB-CB 4.34Å; L709-F714 HydrophobicContact CD2-CD2 4.02Å; L709-F714 PolarHBondContact O-N 3.27Å; L709-I716 HydrophobicContact CD1-CD1 3.76Å; L709-F721 HydrophobicContact CD1-CE2 4.38Å; L709-L724 HydrophobicContact CD1-CD1 3.85Å; L709-Y740 HydrophobicContact CD2-CE2 4.09Å; L709-L747 HydrophobicContact CD1-CD1 4.27Å; L709-L747 HydrophobicContact CD2-CD1 3.88Å
710	K	89.6	Confident	89.5	Confident	93 Å²	93	25 Å²	25	40%	0.404	14%	0.14	S	C	.	.	H	α-helix	trans	-61.6	-39.1	175.6	-170	169.6	-174.5	168.1	0	112	E586 R706 N707 V712 G713 F714	E586-K710 WeakPolarHBondContact OE1-CE 3.33Å; E586-K710 IonicContact OE1-NZ 2.73Å; E586-K710 PolarHBondContact OE1-NZ 3.48Å; R706-K710 PolarHBondContact O-N 2.86Å; N707-K710 PolarHBondContact O-N 3.16Å; K710-V712 PolarHBondContact O-N 3.21Å; K710-G713 PolarHBondContact O-N 3.44Å; K710-G713 VanDerWaalsContact O-N 3.16Å; K710-F714 WeakPolarHBondContact CA-O 3.23Å; K710-F714 PolarHBondContact N-O 2.69Å
711	H	88.6	Confident	89.3	Confident	14 Å²	14	25 Å²	25	7%	0.065	14%	0.14	C	C	.	.	H	α-helix	trans	-63.8	-39.6	179.4	-173.2	68.9	0	0	0	112.8	P593 T594 L595 Q691 F692 N707 A708 L709 G713	P593-H711 WeakPolarHBondContact CA-O 3.35Å; T594-H711 PolarHBondContact N-O 2.75Å; T594-H711 WeakPolarHBondContact OG1-CA 3.47Å; T594-H711 PolarHBondContact OG1-ND1 2.71Å; T594-H711 PolarHBondContact OG1-O 3.2Å; L595-H711 WeakPolarHBondContact CD2-NE2 3.32Å; Q691-H711 PolarHBondContact OE1-NE2 3.3Å; F692-H711 HydrophobicContact CE2-CB 3.47Å; F692-H711 VanDerWaalsContact CE2-CB 3.47Å; F692-H711 AromaticContact CE2-CD2 3.99Å; F692-H711 AromaticContact CE2-CG 3.66Å; F692-H711 HydrophobicContact CZ-CB 3.81Å; N707-H711 VanDerWaalsContact O-CB 3.29Å; N707-H711 WeakPolarHBondContact O-CB 3.35Å; N707-H711 PolarHBondContact O-N 3.02Å; A708-H711 WeakPolarHBondContact O-CB 3.47Å; A708-H711 PolarHBondContact O-N 3.5Å; L709-H711 VanDerWaalsContact C-N 3.3Å; L709-H711 PolarHBondContact O-N 2.67Å; H711-G713 PolarHBondContact O-N 3.11Å
712	V	91.4	Very high	89.1	Confident	13 Å²	13	22.4 Å²	22.4	8%	0.079	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-0.1	176.8	-57.8	0	0	0	0	113.7	V684 A688 A708 L709 K710 F714 Y740	V684-V712 HydrophobicContact CG1-CG1 4.42Å; A688-V712 HydrophobicContact CB-CG1 3.47Å; A688-V712 VanDerWaalsContact CB-CG1 3.47Å; A708-V712 WeakPolarHBondContact O-CG2 3.34Å; A708-V712 PolarHBondContact O-N 3.4Å; L709-V712 VanDerWaalsContact O-CG2 3.22Å; L709-V712 WeakPolarHBondContact O-CG2 3.38Å; L709-V712 PolarHBondContact O-N 3.44Å; K710-V712 PolarHBondContact O-N 3.21Å; V712-F714 HydrophobicContact CG2-CD2 3.55Å; V712-F714 HydrophobicContact CG2-CE2 3.76Å; V712-Y740 WeakPolarHBondContact CG1-OH 3.26Å
713	G	90.2	Very high	89.1	Confident	3 Å²	3	24.4 Å²	24.4	3%	0.031	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	105.7	11	172.3	0	0	0	0	0	115.5	E590 T591 L709 K710 H711	E590-G713 CarbonylContact C-O 3.56Å; E590-G713 VanDerWaalsContact CA-O 3.24Å; E590-G713 WeakPolarHBondContact CA-O 3.33Å; T591-G713 PolarHBondContact N-O 3.32Å; T591-G713 VanDerWaalsContact O-CA 3.29Å; T591-G713 WeakPolarHBondContact O-CA 3.47Å; T591-G713 PolarHBondContact OG1-O 2.86Å; L709-G713 PolarHBondContact O-N 2.85Å; K710-G713 PolarHBondContact O-N 3.44Å; K710-G713 VanDerWaalsContact O-N 3.16Å; H711-G713 PolarHBondContact O-N 3.11Å
714	F	91.4	Very high	89.2	Confident	4 Å²	4	23.4 Å²	23.4	2%	0.018	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	110.2	175.6	-56.5	-56.6	0	0	0	111.3	E590 L709 K710 V712 C744 L747 Q748 F751	E590-F714 HydrophobicContact CG-CD1 4.25Å; E590-F714 HydrophobicContact CG-CE1 4.37Å; L709-F714 CarbonylContact C-O 3.43Å; L709-F714 HydrophobicContact CB-CB 4.34Å; L709-F714 HydrophobicContact CD2-CD2 4.02Å; L709-F714 PolarHBondContact O-N 3.27Å; K710-F714 WeakPolarHBondContact CA-O 3.23Å; K710-F714 PolarHBondContact N-O 2.69Å; V712-F714 HydrophobicContact CG2-CD2 3.55Å; V712-F714 HydrophobicContact CG2-CE2 3.76Å; F714-C744 HydrophobicContact CE2-CB 4.09Å; F714-L747 HydrophobicContact CB-CD1 4.18Å; F714-L747 HydrophobicContact CD1-CB 4.14Å; F714-L747 HydrophobicContact CD2-CB 4.4Å; F714-L747 HydrophobicContact CD2-CD1 4.11Å; F714-L747 HydrophobicContact CE1-CB 4.14Å; F714-L747 HydrophobicContact CE2-CB 4.4Å; F714-L747 HydrophobicContact CG-CB 4.27Å; F714-L747 HydrophobicContact CG-CD1 4.09Å; F714-L747 HydrophobicContact CZ-CB 4.26Å; F714-Q748 HydrophobicContact CZ-CB 4.14Å; F714-Q748 VanDerWaalsContact CZ-OE1 3.25Å; F714-F751 AromaticContact CD1-CD2 3.89Å; F714-F751 HydrophobicContact CD1-CD2 3.89Å; F714-F751 AromaticContact CD1-CE2 3.77Å; F714-F751 HydrophobicContact CD1-CE2 3.77Å; F714-F751 HydrophobicContact CE1-CD2 4.09Å; F714-F751 HydrophobicContact CE1-CE2 4.42Å
715	S	88	Confident	89.1	Confident	16 Å²	16	22.9 Å²	22.9	11%	0.112	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	123.3	170.1	-179.9	0	0	0	0	108.8	E586 E587 I588 G589	E586-S715 PolarHBondContact OE2-OG 2.72Å; E587-S715 WeakPolarHBondContact O-CB 3.12Å; E587-S715 PolarHBondContact O-OG 3.21Å; I588-S715 WeakPolarHBondContact CA-O 3.14Å; G589-S715 PolarHBondContact N-O 3.18Å; G589-S715 PolarHBondContact O-N 3.18Å
716	I	88.5	Confident	88.8	Confident	2 Å²	2	28.3 Å²	28.3	1%	0.01	16%	0.161	C	C	.	.			trans	-142.5	136.9	-175.7	53.9	174.5	0	0	0	112.1	L709 T720 F721 L724 L747	L709-I716 HydrophobicContact CD1-CD1 3.76Å; I716-T720 HydrophobicContact CB-CG2 4.28Å; I716-T720 HydrophobicContact CG2-CG2 4.15Å; I716-F721 HydrophobicContact CD1-CB 4.18Å; I716-F721 HydrophobicContact CD1-CD2 3.76Å; I716-F721 HydrophobicContact CD1-CG 4.48Å; I716-F721 HydrophobicContact CG1-CB 4.46Å; I716-F721 HydrophobicContact CG1-CD2 4.41Å; I716-L724 HydrophobicContact CD1-CD1 3.5Å; I716-L724 VanDerWaalsContact CD1-CD1 3.5Å; I716-L747 HydrophobicContact CG2-CD2 4.22Å
717	N	86	Confident	88.8	Confident	40 Å²	40	36 Å²	36	21%	0.214	19%	0.19	C	C	.	.			trans	-71.2	167.2	178.4	76	-0.9	0	0	0	113	D585 E586 I588 A719 T720 F721	D585-N717 WeakPolarHBondContact OD1-CA 3.17Å; D585-N717 WeakPolarHBondContact OD2-CB 3.41Å; E586-N717 VanDerWaalsContact O-CB 3.26Å; E586-N717 WeakPolarHBondContact O-CB 3.48Å; I588-N717 HydrophobicContact CG1-CB 4.09Å; N717-A719 VanDerWaalsContact C-N 3.31Å; N717-A719 PolarHBondContact O-N 3.13Å; N717-A719 PolarHBondContact OD1-N 2.92Å; N717-T720 PolarHBondContact O-N 3.45Å; N717-T720 VanDerWaalsContact OD1-CB 3.24Å; N717-T720 WeakPolarHBondContact OD1-CB 3.46Å; N717-T720 PolarHBondContact OD1-N 3.1Å; N717-T720 PolarHBondContact OD1-OG1 2.79Å; N717-F721 WeakPolarHBondContact O-CB 3.46Å; N717-F721 PolarHBondContact O-N 2.88Å
718	N	81.7	Confident	88.9	Confident	26 Å²	26	34.7 Å²	34.7	14%	0.139	18%	0.182	C	C	.	.	H	α-helix	trans	-58.1	-38.8	-178.8	-75.1	-32	0	0	0	113.3	D585 R706 T720 F721 S722	D585-N718 PolarHBondContact OD1-N 3.26Å; D585-N718 WeakPolarHBondContact OD2-CB 3.15Å; D585-N718 PolarHBondContact OD2-N 2.86Å; R706-N718 PolarHBondContact NH1-OD1 2.97Å; R706-N718 PolarHBondContact NH2-OD1 3.25Å; N718-T720 PolarHBondContact O-N 3.41Å; N718-F721 PolarHBondContact O-N 3.11Å; N718-S722 WeakPolarHBondContact O-CB 3.43Å; N718-S722 PolarHBondContact O-N 2.91Å
719	A	82.6	Confident	88.9	Confident	67 Å²	67	35.9 Å²	35.9	55%	0.554	19%	0.19	S	C	*	.	H	α-helix	trans	-64	-41	178.9	0	0	0	0	0	112.5	N717 T723	N717-A719 VanDerWaalsContact C-N 3.31Å; N717-A719 PolarHBondContact O-N 3.13Å; N717-A719 PolarHBondContact OD1-N 2.92Å; A719-T723 PolarHBondContact O-N 3.29Å; A719-T723 PolarHBondContact O-OG1 2.72Å; A719-T723 VanDerWaalsContact O-OG1 3.1Å
720	T	88.1	Confident	88.7	Confident	41 Å²	41	41 Å²	41	25%	0.252	21%	0.209	S	C	.	.	H	α-helix	trans	-73.7	-44.6	177.8	-55.6	0	0	0	0	110.4	I588 I716 N717 N718 S722 T723 L724	I588-T720 VanDerWaalsContact CD1-OG1 3.29Å; I588-T720 WeakPolarHBondContact CD1-OG1 3.28Å; I716-T720 HydrophobicContact CB-CG2 4.28Å; I716-T720 HydrophobicContact CG2-CG2 4.15Å; N717-T720 PolarHBondContact O-N 3.45Å; N717-T720 VanDerWaalsContact OD1-CB 3.24Å; N717-T720 WeakPolarHBondContact OD1-CB 3.46Å; N717-T720 PolarHBondContact OD1-N 3.1Å; N717-T720 PolarHBondContact OD1-OG1 2.79Å; N718-T720 PolarHBondContact O-N 3.41Å; T720-S722 VanDerWaalsContact C-N 3.31Å; T720-S722 PolarHBondContact O-N 3.21Å; T720-T723 WeakPolarHBondContact O-CB 3.43Å; T720-T723 PolarHBondContact O-N 3.38Å; T720-L724 PolarHBondContact O-N 3.38Å; T720-L724 VanDerWaalsContact O-N 3.12Å
721	F	89.5	Confident	88.6	Confident	1 Å²	1	47 Å²	47	0%	0.004	23%	0.229	C	C	.	.	H	α-helix	trans	-59.8	-42.2	177	-171.7	-102.8	0	0	0	112.1	V447 S702 L705 R706 L709 I716 N717 N718 T723 L724 V725	V447-F721 HydrophobicContact CG1-CD1 4.17Å; V447-F721 HydrophobicContact CG2-CD1 4.4Å; S702-F721 WeakPolarHBondContact O-CZ 3.35Å; L705-F721 HydrophobicContact CB-CE2 4.49Å; L705-F721 HydrophobicContact CB-CZ 4.44Å; L705-F721 HydrophobicContact CD2-CE2 4.01Å; L705-F721 HydrophobicContact CD2-CZ 4.2Å; L705-F721 HydrophobicContact CG-CE2 4.03Å; L705-F721 HydrophobicContact CG-CZ 4.37Å; R706-F721 HydrophobicContact CB-CD2 4.25Å; R706-F721 HydrophobicContact CB-CE1 4.39Å; R706-F721 HydrophobicContact CB-CE2 3.64Å; R706-F721 HydrophobicContact CB-CZ 3.75Å; R706-F721 HydrophobicContact CG-CD2 4.37Å; R706-F721 HydrophobicContact CG-CE2 4.24Å; L709-F721 HydrophobicContact CD1-CE2 4.38Å; I716-F721 HydrophobicContact CD1-CB 4.18Å; I716-F721 HydrophobicContact CD1-CD2 3.76Å; I716-F721 HydrophobicContact CD1-CG 4.48Å; I716-F721 HydrophobicContact CG1-CB 4.46Å; I716-F721 HydrophobicContact CG1-CD2 4.41Å; N717-F721 WeakPolarHBondContact O-CB 3.46Å; N717-F721 PolarHBondContact O-N 2.88Å; N718-F721 PolarHBondContact O-N 3.11Å; F721-T723 VanDerWaalsContact C-N 3.26Å; F721-T723 PolarHBondContact O-N 3.48Å; F721-L724 WeakPolarHBondContact O-CB 3.2Å; F721-L724 PolarHBondContact O-N 3.23Å; F721-L724 VanDerWaalsContact O-N 3.11Å; F721-V725 HydrophobicContact CD1-CG2 3.87Å; F721-V725 HydrophobicContact CE1-CG2 3.33Å; F721-V725 HydrophobicContact CE2-CG2 4.27Å; F721-V725 HydrophobicContact CZ-CG2 3.51Å; F721-V725 WeakPolarHBondContact O-CG2 3.44Å; F721-V725 PolarHBondContact O-N 2.68Å
722	S	86.7	Confident	88.5	Confident	15 Å²	15	51.5 Å²	51.5	11%	0.105	25%	0.254	C	S	.	.	H	α-helix	trans	-54.2	-43	172.5	175.4	0	0	0	0	112.4	Q444 N718 T720 L724 V725 L726	Q444-S722 PolarHBondContact NE2-OG 2.86Å; Q444-S722 VanDerWaalsContact OE1-CB 3.28Å; Q444-S722 PolarHBondContact OE1-OG 2.58Å; N718-S722 WeakPolarHBondContact O-CB 3.43Å; N718-S722 PolarHBondContact O-N 2.91Å; T720-S722 VanDerWaalsContact C-N 3.31Å; T720-S722 PolarHBondContact O-N 3.21Å; S722-L724 VanDerWaalsContact C-N 3.35Å; S722-L724 PolarHBondContact O-N 3.27Å; S722-V725 PolarHBondContact O-N 2.76Å; S722-L726 VanDerWaalsContact O-CB 3.26Å; S722-L726 WeakPolarHBondContact O-CB 3.24Å; S722-L726 PolarHBondContact O-N 2.77Å
723	T	88.1	Confident	88.3	Confident	50 Å²	50	51.1 Å²	51.1	31%	0.307	25%	0.253	S	S	.	.	H	α-helix	trans	-64.6	-40.7	178.8	-59.1	0	0	0	0	111.3	A719 T720 F721 R727	A719-T723 PolarHBondContact O-N 3.29Å; A719-T723 PolarHBondContact O-OG1 2.72Å; A719-T723 VanDerWaalsContact O-OG1 3.1Å; T720-T723 WeakPolarHBondContact O-CB 3.43Å; T720-T723 PolarHBondContact O-N 3.38Å; F721-T723 VanDerWaalsContact C-N 3.26Å; F721-T723 PolarHBondContact O-N 3.48Å; T723-R727 VanDerWaalsContact O-CB 3.25Å; T723-R727 WeakPolarHBondContact O-CB 3.32Å; T723-R727 PolarHBondContact O-N 2.61Å; T723-R727 VanDerWaalsContact O-N 3.08Å
724	L	91.4	Very high	88.4	Confident	15 Å²	15	51.7 Å²	51.7	8%	0.079	26%	0.256	C	S	.	.	H	α-helix	trans	-65	-48.9	175.7	-64	178.1	0	0	0	111.4	L709 I716 T720 F721 S722 L726 R727 F728 L747	L709-L724 HydrophobicContact CD1-CD1 3.85Å; I716-L724 HydrophobicContact CD1-CD1 3.5Å; I716-L724 VanDerWaalsContact CD1-CD1 3.5Å; T720-L724 PolarHBondContact O-N 3.38Å; T720-L724 VanDerWaalsContact O-N 3.12Å; F721-L724 WeakPolarHBondContact O-CB 3.2Å; F721-L724 PolarHBondContact O-N 3.23Å; F721-L724 VanDerWaalsContact O-N 3.11Å; S722-L724 VanDerWaalsContact C-N 3.35Å; S722-L724 PolarHBondContact O-N 3.27Å; L724-L726 VanDerWaalsContact C-N 3.34Å; L724-L726 PolarHBondContact O-N 3.33Å; L724-R727 PolarHBondContact O-N 2.91Å; L724-F728 HydrophobicContact CB-CD2 4.41Å; L724-F728 HydrophobicContact CD2-CD2 4Å; L724-F728 HydrophobicContact CD2-CE2 3.82Å; L724-F728 WeakPolarHBondContact O-CB 3.49Å; L724-F728 WeakPolarHBondContact O-CD2 3.49Å; L724-F728 PolarHBondContact O-N 3.25Å; L724-L747 HydrophobicContact CD1-CD1 3.98Å
725	V	89.9	Confident	88.5	Confident	9 Å²	9	51.5 Å²	51.5	6%	0.055	26%	0.255	C	S	.	.	H	α-helix	trans	-59.3	-46.6	179.5	171.6	0	0	0	0	110.6	R446 V447 F721 S722 R727 S729	R446-V725 HydrophobicContact CB-CG1 4.28Å; V447-V725 HydrophobicContact CG2-CB 3.95Å; V447-V725 HydrophobicContact CG2-CG1 4.01Å; V447-V725 HydrophobicContact CG2-CG2 4.07Å; F721-V725 HydrophobicContact CD1-CG2 3.87Å; F721-V725 HydrophobicContact CE1-CG2 3.33Å; F721-V725 HydrophobicContact CE2-CG2 4.27Å; F721-V725 HydrophobicContact CZ-CG2 3.51Å; F721-V725 WeakPolarHBondContact O-CG2 3.44Å; F721-V725 PolarHBondContact O-N 2.68Å; S722-V725 PolarHBondContact O-N 2.76Å; V725-R727 VanDerWaalsContact C-N 3.29Å; V725-R727 PolarHBondContact O-N 2.79Å; V725-S729 WeakPolarHBondContact CA-OG 3.35Å; V725-S729 WeakPolarHBondContact CG1-OG 3.48Å; V725-S729 WeakPolarHBondContact O-CB 3.34Å; V725-S729 PolarHBondContact O-N 3.45Å; V725-S729 PolarHBondContact O-OG 3.19Å
726	L	87.6	Confident	88.8	Confident	115 Å²	115	51.1 Å²	51.1	60%	0.602	25%	0.252	S	S	*	.	H	α-helix	trans	-61.4	-37.4	179	-178.5	66.9	0	0	0	112.5	S722 L724	S722-L726 VanDerWaalsContact O-CB 3.26Å; S722-L726 WeakPolarHBondContact O-CB 3.24Å; S722-L726 PolarHBondContact O-N 2.77Å; L724-L726 VanDerWaalsContact C-N 3.34Å; L724-L726 PolarHBondContact O-N 3.33Å
727	R	90.3	Very high	89.1	Confident	178 Å²	178	51 Å²	51	67%	0.672	25%	0.252	S	S	*	.	H	α-helix	trans	-84.7	-38.4	-173.6	-176.2	58.8	176.3	167.4	0.7	113.2	T723 L724 V725	T723-R727 VanDerWaalsContact O-CB 3.25Å; T723-R727 WeakPolarHBondContact O-CB 3.32Å; T723-R727 PolarHBondContact O-N 2.61Å; T723-R727 VanDerWaalsContact O-N 3.08Å; L724-R727 PolarHBondContact O-N 2.91Å; V725-R727 VanDerWaalsContact C-N 3.29Å; V725-R727 PolarHBondContact O-N 2.79Å
728	F	91.7	Very high	89.5	Confident	25 Å²	25	50.1 Å²	50.1	11%	0.11	25%	0.247	C	C	.	.	H	α-helix	trans	-115.1	-9	-165.3	-61.5	-66.6	0	0	0	114.1	L724 S739 I742 C743	L724-F728 HydrophobicContact CB-CD2 4.41Å; L724-F728 HydrophobicContact CD2-CD2 4Å; L724-F728 HydrophobicContact CD2-CE2 3.82Å; L724-F728 WeakPolarHBondContact O-CB 3.49Å; L724-F728 WeakPolarHBondContact O-CD2 3.49Å; L724-F728 PolarHBondContact O-N 3.25Å; F728-S739 WeakPolarHBondContact O-CB 3.45Å; F728-I742 HydrophobicContact CD1-CG2 4.1Å; F728-I742 HydrophobicContact CE1-CB 4.26Å; F728-I742 HydrophobicContact CE1-CG2 3.39Å; F728-I742 HydrophobicContact CZ-CG2 3.82Å; F728-C743 WeakPolarHBondContact CD2-SG 3.28Å; F728-C743 VanDerWaalsContact CG-SG 3.59Å
729	S	91.2	Very high	90.1	Very high	25 Å²	25	49.8 Å²	49.8	18%	0.175	25%	0.247	C	C	.	.			trans	-82.4	145.4	173.4	-47.4	0	0	0	0	111.5	V725 V735	V725-S729 WeakPolarHBondContact CA-OG 3.35Å; V725-S729 WeakPolarHBondContact CG1-OG 3.48Å; V725-S729 WeakPolarHBondContact O-CB 3.34Å; V725-S729 PolarHBondContact O-N 3.45Å; V725-S729 PolarHBondContact O-OG 3.19Å; S729-V735 WeakPolarHBondContact OG-CG2 3.19Å
730	R	90.3	Very high	90.7	Very high	109 Å²	109	46.6 Å²	46.6	41%	0.411	22%	0.221	S	C	.	.			trans	-71	171	168.6	-69.3	178.4	177.5	-170.7	-1.3	110.9	D648 D732 G733 S734	D648-R730 IonicContact OD2-CZ 3.54Å; D648-R730 IonicContact OD2-NH1 3.54Å; D648-R730 IonicContact OD2-NH2 2.66Å; D648-R730 PolarHBondContact OD2-NH2 2.92Å; R730-D732 VanDerWaalsContact C-N 3.28Å; R730-D732 WeakPolarHBondContact CB-OD1 3.39Å; R730-D732 PolarHBondContact O-N 2.87Å; R730-G733 WeakPolarHBondContact O-CA 3.24Å; R730-G733 PolarHBondContact O-N 3.31Å; R730-S734 WeakPolarHBondContact CB-O 3.46Å; R730-S734 WeakPolarHBondContact CD-OG 3.5Å; R730-S734 PolarHBondContact N-O 3.47Å
731	R	86.8	Confident	91	Very high	219 Å²	219	44.7 Å²	44.7	83%	0.826	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	-37.6	-177.6	-168.6	177.4	-175.6	-175.3	0.6	112.7	R446 G733	R446-R731 PolarHBondContact NH1-O 2.91Å; R446-R731 PolarHBondContact NH2-O 3Å; R731-G733 VanDerWaalsContact C-N 3.25Å; R731-G733 PolarHBondContact O-N 3.21Å
732	D	87.9	Confident	91.3	Very high	109 Å²	109	45 Å²	45	58%	0.583	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-15.6	173.5	63.3	-17.4	0	0	0	113.4	R446 R730 S734	R446-D732 VanDerWaalsContact CZ-C 3.41Å; R446-D732 VanDerWaalsContact CZ-O 3.31Å; R446-D732 PolarHBondContact NH2-O 3.12Å; R730-D732 VanDerWaalsContact C-N 3.28Å; R730-D732 WeakPolarHBondContact CB-OD1 3.39Å; R730-D732 PolarHBondContact O-N 2.87Å; D732-S734 PolarHBondContact OD1-N 2.69Å; D732-S734 PolarHBondContact OD1-OG 3.43Å; D732-S734 PolarHBondContact OD2-OG 3.08Å
733	G	86.5	Confident	91.6	Very high	5 Å²	5	44.3 Å²	44.3	5%	0.052	21%	0.205	C	C	.	.	S	Bend	trans	98.2	2.6	177.9	0	0	0	0	0	114.3	R446 R730 R731	R446-G733 VanDerWaalsContact CZ-N 3.26Å; R730-G733 WeakPolarHBondContact O-CA 3.24Å; R730-G733 PolarHBondContact O-N 3.31Å; R731-G733 VanDerWaalsContact C-N 3.25Å; R731-G733 PolarHBondContact O-N 3.21Å
734	S	92.1	Very high	92	Very high	14 Å²	14	41.9 Å²	41.9	10%	0.098	19%	0.191	C	C	.	.			trans	-77.3	143.4	175.4	63.1	0	0	0	0	110.6	M700 R730 D732	M700-S734 CarbonylContact O-C 3.57Å; R730-S734 WeakPolarHBondContact CB-O 3.46Å; R730-S734 WeakPolarHBondContact CD-OG 3.5Å; R730-S734 PolarHBondContact N-O 3.47Å; D732-S734 PolarHBondContact OD1-N 2.69Å; D732-S734 PolarHBondContact OD1-OG 3.43Å; D732-S734 PolarHBondContact OD2-OG 3.08Å
735	V	93.7	Very high	92.1	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	99.9	177.3	-177.3	0	0	0	0	106.4	S699 M700 L705 S729	S699-V735 CarbonylContact C-O 3.57Å; S699-V735 WeakPolarHBondContact CA-O 3.26Å; M700-V735 PolarHBondContact N-O 2.99Å; M700-V735 WeakPolarHBondContact O-CB 3.49Å; M700-V735 PolarHBondContact O-N 2.95Å; L705-V735 HydrophobicContact CD1-CG1 4.43Å; L705-V735 HydrophobicContact CD2-CG1 4.39Å; L705-V735 HydrophobicContact CD2-CG2 4.07Å; S729-V735 WeakPolarHBondContact OG-CG2 3.19Å
736	P	93.6	Very high	92.2	Very high	8 Å²	8	43.1 Å²	43.1	5%	0.052	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	159.1	179.5	30.1	-36.3	0	0	0	110.5	D738 S739 Y740	P736-D738 PolarHBondContact O-N 2.8Å; P736-D738 VanDerWaalsContact O-N 3.17Å; P736-S739 WeakPolarHBondContact CG-OG 3.34Å; P736-S739 PolarHBondContact O-N 3.19Å; P736-Y740 PolarHBondContact O-N 2.95Å
737	F	94.3	Very high	92.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-52.3	-40.6	-178.9	-178.9	-117.9	0	0	0	113.8	F641 F645 F647 F650 K686 F689 S739 Y740 V741	F641-F737 AromaticContact CD1-CE1 3.81Å; F641-F737 HydrophobicContact CD1-CE1 3.81Å; F641-F737 HydrophobicContact CD1-CZ 4.23Å; F641-F737 HydrophobicContact CE1-CE1 4.3Å; F641-F737 HydrophobicContact CE1-CZ 4.32Å; F645-F737 HydrophobicContact CE1-CD1 4.45Å; F645-F737 HydrophobicContact CE1-CE1 4.39Å; F645-F737 HydrophobicContact CE2-CB 3.82Å; F645-F737 HydrophobicContact CE2-CD1 4.05Å; F645-F737 HydrophobicContact CE2-CD2 4.38Å; F645-F737 AromaticContact CE2-CG 3.83Å; F645-F737 HydrophobicContact CE2-CG 3.83Å; F645-F737 HydrophobicContact CZ-CB 4.06Å; F645-F737 AromaticContact CZ-CD1 3.43Å; F645-F737 HydrophobicContact CZ-CD1 3.43Å; F645-F737 VanDerWaalsContact CZ-CD1 3.43Å; F645-F737 AromaticContact CZ-CD2 3.94Å; F645-F737 HydrophobicContact CZ-CD2 3.94Å; F645-F737 AromaticContact CZ-CE1 3.72Å; F645-F737 HydrophobicContact CZ-CE1 3.72Å; F645-F737 HydrophobicContact CZ-CE2 4.23Å; F645-F737 AromaticContact CZ-CG 3.53Å; F645-F737 HydrophobicContact CZ-CG 3.53Å; F645-F737 HydrophobicContact CZ-CZ 4.12Å; F647-F737 HydrophobicContact CB-CB 4.41Å; F647-F737 HydrophobicContact CD2-CB 4.09Å; F647-F737 HydrophobicContact CD2-CD1 4.13Å; F647-F737 HydrophobicContact CE1-CD1 4.42Å; F647-F737 AromaticContact CE2-CD1 3.89Å; F647-F737 HydrophobicContact CE2-CD1 3.89Å; F647-F737 HydrophobicContact CG-CB 4.29Å; F647-F737 HydrophobicContact CG-CD1 4.49Å; F647-F737 HydrophobicContact CZ-CD1 4.06Å; F650-F737 HydrophobicContact CE1-CD1 4.38Å; F650-F737 HydrophobicContact CE1-CE1 4.12Å; F650-F737 HydrophobicContact CE2-CE1 4.14Å; F650-F737 HydrophobicContact CZ-CD1 4.01Å; F650-F737 AromaticContact CZ-CE1 3.45Å; F650-F737 HydrophobicContact CZ-CE1 3.45Å; F650-F737 VanDerWaalsContact CZ-CE1 3.45Å; F650-F737 HydrophobicContact CZ-CZ 4.33Å; K686-F737 HydrophobicContact CB-CE2 4.23Å; K686-F737 HydrophobicContact CB-CZ 3.91Å; K686-F737 HydrophobicContact CG-CZ 4.46Å; F689-F737 HydrophobicContact CB-CD2 3.8Å; F689-F737 HydrophobicContact CB-CE2 3.86Å; F689-F737 HydrophobicContact CD1-CB 4.48Å; F689-F737 AromaticContact CD1-CD2 3.86Å; F689-F737 HydrophobicContact CD1-CD2 3.86Å; F689-F737 HydrophobicContact CD1-CG 4.49Å; F689-F737 HydrophobicContact CD2-CB 4.32Å; F689-F737 AromaticContact CD2-CD2 3.57Å; F689-F737 HydrophobicContact CD2-CD2 3.57Å; F689-F737 HydrophobicContact CD2-CE2 4.42Å; F689-F737 HydrophobicContact CD2-CG 4.43Å; F689-F737 HydrophobicContact CE1-CB 4.13Å; F689-F737 HydrophobicContact CE1-CD2 4.34Å; F689-F737 HydrophobicContact CE2-CB 3.92Å; F689-F737 HydrophobicContact CE2-CD2 4.06Å; F689-F737 AromaticContact CG-CD2 3.45Å; F689-F737 HydrophobicContact CG-CD2 3.45Å; F689-F737 VanDerWaalsContact CG-CD2 3.45Å; F689-F737 HydrophobicContact CG-CE2 4.05Å; F689-F737 HydrophobicContact CG-CG 4.41Å; F689-F737 HydrophobicContact CZ-CB 3.82Å; F689-F737 HydrophobicContact CZ-CD2 4.42Å; F737-S739 VanDerWaalsContact C-N 3.35Å; F737-S739 PolarHBondContact O-N 2.81Å; F737-Y740 HydrophobicContact CD2-CD1 4Å; F737-Y740 HydrophobicContact CE2-CD1 4.1Å; F737-Y740 HydrophobicContact CE2-CE1 4.44Å; F737-Y740 WeakPolarHBondContact O-CB 3.26Å; F737-Y740 PolarHBondContact O-N 2.91Å; F737-V741 HydrophobicContact CD1-CG2 4.45Å; F737-V741 HydrophobicContact CD2-CG2 4.25Å; F737-V741 HydrophobicContact CE1-CG2 4.07Å; F737-V741 HydrophobicContact CE2-CG2 3.82Å; F737-V741 HydrophobicContact CZ-CG2 3.72Å; F737-V741 WeakPolarHBondContact O-CG2 3.19Å; F737-V741 PolarHBondContact O-N 3.46Å
738	D	94.4	Very high	92.4	Very high	21 Å²	21	31.1 Å²	31.1	11%	0.112	14%	0.142	C	C	.	.	H	α-helix	trans	-52.5	-50.5	174	180	56.8	0	0	0	112.1	F650 S651 S654 P736 V741 I742	F650-D738 WeakPolarHBondContact CA-OD1 3.4Å; S651-D738 WeakPolarHBondContact CB-OD2 3.43Å; S651-D738 PolarHBondContact N-OD1 3.1Å; S651-D738 PolarHBondContact OG-OD1 2.77Å; S651-D738 PolarHBondContact OG-OD2 3.26Å; S654-D738 WeakPolarHBondContact CB-OD1 3.4Å; S654-D738 PolarHBondContact OG-OD1 3.12Å; P736-D738 PolarHBondContact O-N 2.8Å; P736-D738 VanDerWaalsContact O-N 3.17Å; D738-V741 PolarHBondContact O-N 3.4Å; D738-I742 WeakPolarHBondContact O-CG1 3.06Å; D738-I742 PolarHBondContact O-N 3.33Å
739	S	94.8	Very high	92.2	Very high	20 Å²	20	30.7 Å²	30.7	14%	0.14	14%	0.141	C	C	.	.	H	α-helix	trans	-69.9	-34.1	-179.4	-57.2	0	0	0	0	112.7	F728 P736 F737 I742 C743	F728-S739 WeakPolarHBondContact O-CB 3.45Å; P736-S739 WeakPolarHBondContact CG-OG 3.34Å; P736-S739 PolarHBondContact O-N 3.19Å; F737-S739 VanDerWaalsContact C-N 3.35Å; F737-S739 PolarHBondContact O-N 2.81Å; S739-I742 PolarHBondContact O-N 3.44Å; S739-C743 PolarHBondContact O-N 3.03Å; S739-C743 PolarHBondContact O-SG 3.45Å
740	Y	95.3	Very high	92.1	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-62.3	-44.5	171.9	165.6	-111.4	0	0	0	111.9	W685 F689 M700 L705 A708 L709 V712 P736 F737 I742 C743 C744	W685-Y740 HydrophobicContact CB-CE1 3.93Å; W685-Y740 WeakPolarHBondContact O-CE1 3.28Å; F689-Y740 HydrophobicContact CB-CD1 4.18Å; F689-Y740 HydrophobicContact CB-CE1 4Å; F689-Y740 AromaticContact CD2-CD1 3.75Å; F689-Y740 HydrophobicContact CD2-CD1 3.75Å; F689-Y740 HydrophobicContact CD2-CE1 4.35Å; F689-Y740 HydrophobicContact CD2-CG 4.1Å; F689-Y740 HydrophobicContact CG-CD1 4.4Å; M700-Y740 HydrophobicContact CE-CD1 4.2Å; M700-Y740 HydrophobicContact CE-CD2 3.39Å; M700-Y740 HydrophobicContact CE-CE2 3.89Å; M700-Y740 HydrophobicContact CE-CG 3.54Å; L705-Y740 HydrophobicContact CD1-CD2 3.58Å; L705-Y740 HydrophobicContact CD1-CE2 4.27Å; A708-Y740 HydrophobicContact CB-CE2 3.93Å; L709-Y740 HydrophobicContact CD2-CE2 4.09Å; V712-Y740 WeakPolarHBondContact CG1-OH 3.26Å; P736-Y740 PolarHBondContact O-N 2.95Å; F737-Y740 HydrophobicContact CD2-CD1 4Å; F737-Y740 HydrophobicContact CE2-CD1 4.1Å; F737-Y740 HydrophobicContact CE2-CE1 4.44Å; F737-Y740 WeakPolarHBondContact O-CB 3.26Å; F737-Y740 PolarHBondContact O-N 2.91Å; Y740-I742 VanDerWaalsContact C-N 3.31Å; Y740-I742 PolarHBondContact O-N 3.24Å; Y740-C743 WeakPolarHBondContact O-CB 3.32Å; Y740-C743 PolarHBondContact O-N 3.25Å; Y740-C743 VanDerWaalsContact O-N 3.11Å; Y740-C744 WeakPolarHBondContact CE2-SG 3.36Å; Y740-C744 VanDerWaalsContact CZ-SG 3.52Å; Y740-C744 PolarHBondContact O-N 3.43Å
741	V	95.2	Very high	91.9	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-63	-38.7	176.4	171.2	0	0	0	0	111.2	F650 M658 L682 W685 F737 D738 C743 C744 A745	F650-V741 HydrophobicContact CE1-CB 4.06Å; F650-V741 HydrophobicContact CE1-CG1 4.01Å; F650-V741 HydrophobicContact CE1-CG2 3.94Å; F650-V741 HydrophobicContact CZ-CG2 4.41Å; M658-V741 HydrophobicContact CE-CG1 4.37Å; M658-V741 HydrophobicContact CG-CG1 4.08Å; M658-V741 HydrophobicContact SD-CG1 3.68Å; L682-V741 HydrophobicContact CD2-CG1 3.78Å; L682-V741 HydrophobicContact CD2-CG2 4.2Å; W685-V741 HydrophobicContact CE3-CG1 4.03Å; W685-V741 HydrophobicContact CE3-CG2 4.42Å; W685-V741 HydrophobicContact CZ3-CG1 3.98Å; F737-V741 HydrophobicContact CD1-CG2 4.45Å; F737-V741 HydrophobicContact CD2-CG2 4.25Å; F737-V741 HydrophobicContact CE1-CG2 4.07Å; F737-V741 HydrophobicContact CE2-CG2 3.82Å; F737-V741 HydrophobicContact CZ-CG2 3.72Å; F737-V741 WeakPolarHBondContact O-CG2 3.19Å; F737-V741 PolarHBondContact O-N 3.46Å; D738-V741 PolarHBondContact O-N 3.4Å; V741-C743 VanDerWaalsContact C-N 3.34Å; V741-C743 PolarHBondContact O-N 2.99Å; V741-C744 PolarHBondContact O-N 3.25Å; V741-A745 WeakPolarHBondContact O-CB 3Å; V741-A745 PolarHBondContact O-N 3.48Å
742	I	94.9	Very high	91.8	Very high	8 Å²	8	23.2 Å²	23.2	4%	0.041	12%	0.119	C	C	.	.	H	α-helix	trans	-59.6	-45.1	172.4	-64.8	166.2	0	0	0	110.9	E653 F728 D738 S739 Y740 C744 A745 R746	E653-I742 HydrophobicContact CG-CD1 4.46Å; F728-I742 HydrophobicContact CD1-CG2 4.1Å; F728-I742 HydrophobicContact CE1-CB 4.26Å; F728-I742 HydrophobicContact CE1-CG2 3.39Å; F728-I742 HydrophobicContact CZ-CG2 3.82Å; D738-I742 WeakPolarHBondContact O-CG1 3.06Å; D738-I742 PolarHBondContact O-N 3.33Å; S739-I742 PolarHBondContact O-N 3.44Å; Y740-I742 VanDerWaalsContact C-N 3.31Å; Y740-I742 PolarHBondContact O-N 3.24Å; I742-C744 PolarHBondContact O-N 3.45Å; I742-A745 PolarHBondContact O-N 3.05Å; I742-R746 HydrophobicContact CG2-CG 4.25Å; I742-R746 WeakPolarHBondContact O-CB 3.3Å; I742-R746 WeakPolarHBondContact O-CG 3.49Å; I742-R746 PolarHBondContact O-N 2.92Å
743	C	94.6	Very high	91.7	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-57.9	-49.2	176.3	-68.8	0	0	0	0	111.6	F728 S739 Y740 V741 R746 L747	F728-C743 WeakPolarHBondContact CD2-SG 3.28Å; F728-C743 VanDerWaalsContact CG-SG 3.59Å; S739-C743 PolarHBondContact O-N 3.03Å; S739-C743 PolarHBondContact O-SG 3.45Å; Y740-C743 WeakPolarHBondContact O-CB 3.32Å; Y740-C743 PolarHBondContact O-N 3.25Å; Y740-C743 VanDerWaalsContact O-N 3.11Å; V741-C743 VanDerWaalsContact C-N 3.34Å; V741-C743 PolarHBondContact O-N 2.99Å; C743-R746 PolarHBondContact O-N 3.01Å; C743-L747 WeakPolarHBondContact O-CB 3.44Å; C743-L747 VanDerWaalsContact O-CG 3.31Å; C743-L747 WeakPolarHBondContact O-CG 3.34Å; C743-L747 PolarHBondContact O-N 3.36Å
744	C	95.1	Very high	91.6	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-62.1	-47.8	179.5	-67.5	0	0	0	0	112	W685 F714 Y740 V741 I742 R746 L747 Q748	W685-C744 HydrophobicContact CD2-CB 3.69Å; W685-C744 HydrophobicContact CE3-CB 3.9Å; W685-C744 HydrophobicContact CG-CB 4.3Å; W685-C744 HydrophobicContact CH2-CB 3.87Å; W685-C744 HydrophobicContact CZ2-CB 3.67Å; W685-C744 HydrophobicContact CZ3-CB 3.99Å; F714-C744 HydrophobicContact CE2-CB 4.09Å; Y740-C744 WeakPolarHBondContact CE2-SG 3.36Å; Y740-C744 VanDerWaalsContact CZ-SG 3.52Å; Y740-C744 PolarHBondContact O-N 3.43Å; V741-C744 PolarHBondContact O-N 3.25Å; I742-C744 PolarHBondContact O-N 3.45Å; C744-R746 VanDerWaalsContact C-N 3.34Å; C744-R746 PolarHBondContact O-N 2.68Å; C744-L747 PolarHBondContact O-N 3.23Å; C744-Q748 WeakPolarHBondContact O-CB 3.48Å; C744-Q748 PolarHBondContact O-N 3.4Å
745	A	93.3	Very high	91.3	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-61.5	-43	-179.9	0	0	0	0	0	111.9	M658 M661 W685 V741 I742 Q748 I749	M658-A745 HydrophobicContact CG-CB 4.49Å; M661-A745 HydrophobicContact SD-CB 3.97Å; W685-A745 HydrophobicContact CH2-CB 4.18Å; W685-A745 HydrophobicContact CZ3-CB 4.36Å; V741-A745 WeakPolarHBondContact O-CB 3Å; V741-A745 PolarHBondContact O-N 3.48Å; I742-A745 PolarHBondContact O-N 3.05Å; A745-Q748 PolarHBondContact O-N 2.96Å; A745-I749 WeakPolarHBondContact O-CG2 3.43Å; A745-I749 PolarHBondContact O-N 3.4Å
746	R	92	Very high	90.8	Very high	50 Å²	50	33.5 Å²	33.5	19%	0.189	18%	0.175	C	C	.	.	H	α-helix	trans	-69.5	-37.9	178.2	-72.3	-175.5	-177.8	-152.2	-0.6	113.1	E653 S657 I742 C743 C744 I749 L750	E653-R746 IonicContact OE1-NH2 3.63Å; E653-R746 PolarHBondContact OE1-NH2 3.45Å; S657-R746 PolarHBondContact OG-NE 3.25Å; I742-R746 HydrophobicContact CG2-CG 4.25Å; I742-R746 WeakPolarHBondContact O-CB 3.3Å; I742-R746 WeakPolarHBondContact O-CG 3.49Å; I742-R746 PolarHBondContact O-N 2.92Å; C743-R746 PolarHBondContact O-N 3.01Å; C744-R746 VanDerWaalsContact C-N 3.34Å; C744-R746 PolarHBondContact O-N 2.68Å; R746-I749 VanDerWaalsContact O-CG2 3.27Å; R746-I749 WeakPolarHBondContact O-CG2 3.42Å; R746-L750 VanDerWaalsContact O-CB 3.3Å; R746-L750 WeakPolarHBondContact O-CB 3.47Å; R746-L750 VanDerWaalsContact O-CD1 3.3Å; R746-L750 WeakPolarHBondContact O-CD1 3.16Å; R746-L750 WeakPolarHBondContact O-CG 3.34Å; R746-L750 PolarHBondContact O-N 3.37Å; R746-L750 VanDerWaalsContact O-N 3.11Å
747	L	92	Very high	90.4	Very high	11 Å²	11	34.1 Å²	34.1	6%	0.058	18%	0.178	C	C	.	.	H	α-helix	trans	-65.4	-45.9	174.4	-76.3	169	0	0	0	110.7	L709 F714 I716 L724 C743 C744 I749 L750 F751	L709-L747 HydrophobicContact CD1-CD1 4.27Å; L709-L747 HydrophobicContact CD2-CD1 3.88Å; F714-L747 HydrophobicContact CB-CD1 4.18Å; F714-L747 HydrophobicContact CD1-CB 4.14Å; F714-L747 HydrophobicContact CD2-CB 4.4Å; F714-L747 HydrophobicContact CD2-CD1 4.11Å; F714-L747 HydrophobicContact CE1-CB 4.14Å; F714-L747 HydrophobicContact CE2-CB 4.4Å; F714-L747 HydrophobicContact CG-CB 4.27Å; F714-L747 HydrophobicContact CG-CD1 4.09Å; F714-L747 HydrophobicContact CZ-CB 4.26Å; I716-L747 HydrophobicContact CG2-CD2 4.22Å; L724-L747 HydrophobicContact CD1-CD1 3.98Å; C743-L747 WeakPolarHBondContact O-CB 3.44Å; C743-L747 VanDerWaalsContact O-CG 3.31Å; C743-L747 WeakPolarHBondContact O-CG 3.34Å; C743-L747 PolarHBondContact O-N 3.36Å; C744-L747 PolarHBondContact O-N 3.23Å; L747-I749 PolarHBondContact O-N 3.38Å; L747-L750 PolarHBondContact O-N 3.22Å; L747-F751 HydrophobicContact CB-CD2 4.4Å; L747-F751 HydrophobicContact CB-CE2 4.34Å; L747-F751 HydrophobicContact CD2-CE2 4.22Å; L747-F751 WeakPolarHBondContact O-CD2 3.42Å; L747-F751 PolarHBondContact O-N 2.93Å
748	Q	90.1	Very high	90	Very high	30 Å²	30	39 Å²	39	14%	0.14	21%	0.21	C	C	.	.	H	α-helix	trans	-55.4	-54.2	178.4	-170.9	67.3	29.6	0	0	111.2	M661 F714 C744 A745 L750 F751 E752	M661-Q748 HydrophobicContact CG-CB 4.28Å; M661-Q748 HydrophobicContact CG-CG 4.18Å; M661-Q748 HydrophobicContact SD-CB 3.77Å; M661-Q748 HydrophobicContact SD-CG 3.82Å; F714-Q748 HydrophobicContact CZ-CB 4.14Å; F714-Q748 VanDerWaalsContact CZ-OE1 3.25Å; C744-Q748 WeakPolarHBondContact O-CB 3.48Å; C744-Q748 PolarHBondContact O-N 3.4Å; A745-Q748 PolarHBondContact O-N 2.96Å; Q748-L750 VanDerWaalsContact C-N 3.34Å; Q748-L750 PolarHBondContact O-N 3.18Å; Q748-F751 PolarHBondContact O-N 3.37Å; Q748-E752 PolarHBondContact NE2-OE1 3.33Å; Q748-E752 WeakPolarHBondContact O-CB 3.22Å; Q748-E752 WeakPolarHBondContact O-CG 3.37Å; Q748-E752 PolarHBondContact O-N 2.85Å
749	I	87.9	Confident	89.6	Confident	16 Å²	16	42 Å²	42	8%	0.082	22%	0.222	C	C	.	.	H	α-helix	trans	-63.1	-39.7	-179.1	-166.5	167.7	0	0	0	111.9	A660 A745 R746 L747 F751 E752 V753 M779	A660-I749 HydrophobicContact CB-CD1 4.27Å; A660-I749 VanDerWaalsContact O-CD1 3.23Å; A660-I749 WeakPolarHBondContact O-CD1 3.49Å; A745-I749 WeakPolarHBondContact O-CG2 3.43Å; A745-I749 PolarHBondContact O-N 3.4Å; R746-I749 VanDerWaalsContact O-CG2 3.27Å; R746-I749 WeakPolarHBondContact O-CG2 3.42Å; L747-I749 PolarHBondContact O-N 3.38Å; I749-F751 PolarHBondContact O-N 2.81Å; I749-E752 PolarHBondContact O-N 3.11Å; I749-V753 HydrophobicContact CG1-CG2 4.24Å; I749-V753 WeakPolarHBondContact O-CB 3.37Å; I749-V753 VanDerWaalsContact O-CG2 3.23Å; I749-V753 WeakPolarHBondContact O-CG2 3.48Å; I749-V753 PolarHBondContact O-N 3.47Å; I749-M779 HydrophobicContact CD1-CG 3.74Å; I749-M779 HydrophobicContact CG1-CG 3.91Å; I749-M779 HydrophobicContact CG1-SD 4.29Å; I749-M779 HydrophobicContact CG2-CB 4.33Å; I749-M779 HydrophobicContact CG2-CG 3.9Å; I749-M779 HydrophobicContact CG2-SD 4.09Å
750	L	88.6	Confident	89.3	Confident	89 Å²	89	43.4 Å²	43.4	47%	0.466	23%	0.228	S	C	.	.	H	α-helix	trans	-63.1	-43.7	177.9	-77.6	167.2	0	0	0	111.7	R746 L747 Q748 F754 M779	R746-L750 VanDerWaalsContact O-CB 3.3Å; R746-L750 WeakPolarHBondContact O-CB 3.47Å; R746-L750 VanDerWaalsContact O-CD1 3.3Å; R746-L750 WeakPolarHBondContact O-CD1 3.16Å; R746-L750 WeakPolarHBondContact O-CG 3.34Å; R746-L750 PolarHBondContact O-N 3.37Å; R746-L750 VanDerWaalsContact O-N 3.11Å; L747-L750 PolarHBondContact O-N 3.22Å; Q748-L750 VanDerWaalsContact C-N 3.34Å; Q748-L750 PolarHBondContact O-N 3.18Å; L750-F754 WeakPolarHBondContact O-CB 3.34Å; L750-F754 PolarHBondContact O-N 3.48Å; L750-M779 HydrophobicContact CD2-CE 3.59Å; L750-M779 HydrophobicContact CD2-SD 3.46Å; L750-M779 WeakPolarHBondContact CD2-SD 3.46Å; L750-M779 HydrophobicContact CG-SD 3.94Å
751	F	87.7	Confident	88.7	Confident	26 Å²	26	51.8 Å²	51.8	11%	0.114	27%	0.273	C	S	.	.	H	α-helix	trans	-66.8	-41.4	176.5	-76.9	-58.7	0	0	0	112.1	I588 E590 F714 L747 Q748 I749 F754 K755	I588-F751 HydrophobicContact CG2-CE1 3.72Å; I588-F751 HydrophobicContact CG2-CZ 3.76Å; E590-F751 HydrophobicContact CG-CB 4.13Å; E590-F751 HydrophobicContact CG-CD1 4.41Å; E590-F751 HydrophobicContact CG-CD2 3.79Å; E590-F751 HydrophobicContact CG-CE2 4.28Å; E590-F751 HydrophobicContact CG-CG 3.88Å; E590-F751 WeakPolarHBondContact OE2-CB 3.2Å; F714-F751 AromaticContact CD1-CD2 3.89Å; F714-F751 HydrophobicContact CD1-CD2 3.89Å; F714-F751 AromaticContact CD1-CE2 3.77Å; F714-F751 HydrophobicContact CD1-CE2 3.77Å; F714-F751 HydrophobicContact CE1-CD2 4.09Å; F714-F751 HydrophobicContact CE1-CE2 4.42Å; L747-F751 HydrophobicContact CB-CD2 4.4Å; L747-F751 HydrophobicContact CB-CE2 4.34Å; L747-F751 HydrophobicContact CD2-CE2 4.22Å; L747-F751 WeakPolarHBondContact O-CD2 3.42Å; L747-F751 PolarHBondContact O-N 2.93Å; Q748-F751 PolarHBondContact O-N 3.37Å; I749-F751 PolarHBondContact O-N 2.81Å; F751-F754 PolarHBondContact O-N 2.95Å; F751-K755 WeakPolarHBondContact O-CB 3.36Å; F751-K755 VanDerWaalsContact O-CG 3.31Å; F751-K755 WeakPolarHBondContact O-CG 3.32Å; F751-K755 PolarHBondContact O-N 3.27Å
752	E	84.8	Confident	88.2	Confident	80 Å²	80	58.5 Å²	58.5	37%	0.374	30%	0.304	S	S	.	.	H	α-helix	trans	-63.5	-46.5	177.1	-75.4	178.9	-175.5	0	0	112.2	Q748 I749 F754 K755 A756	Q748-E752 PolarHBondContact NE2-OE1 3.33Å; Q748-E752 WeakPolarHBondContact O-CB 3.22Å; Q748-E752 WeakPolarHBondContact O-CG 3.37Å; Q748-E752 PolarHBondContact O-N 2.85Å; I749-E752 PolarHBondContact O-N 3.11Å; E752-F754 VanDerWaalsContact C-N 3.34Å; E752-F754 PolarHBondContact O-N 2.91Å; E752-K755 PolarHBondContact O-N 2.97Å; E752-A756 WeakPolarHBondContact O-CB 3.45Å; E752-A756 PolarHBondContact O-N 3.42Å
753	V	84.8	Confident	87.7	Confident	38 Å²	38	64.7 Å²	64.7	23%	0.23	34%	0.337	C	S	.	.	H	α-helix	trans	-60.2	-44.9	175.9	169.7	0	0	0	0	110.6	I749 K755 A756 T757 F767 M779	I749-V753 HydrophobicContact CG1-CG2 4.24Å; I749-V753 WeakPolarHBondContact O-CB 3.37Å; I749-V753 VanDerWaalsContact O-CG2 3.23Å; I749-V753 WeakPolarHBondContact O-CG2 3.48Å; I749-V753 PolarHBondContact O-N 3.47Å; V753-K755 VanDerWaalsContact C-N 3.35Å; V753-K755 PolarHBondContact O-N 3.44Å; V753-A756 PolarHBondContact O-N 3.03Å; V753-T757 WeakPolarHBondContact O-CB 3.3Å; V753-T757 PolarHBondContact O-N 3.08Å; V753-T757 PolarHBondContact O-OG1 2.79Å; V753-F767 HydrophobicContact CG1-CE1 4.02Å; V753-F767 HydrophobicContact CG1-CZ 4.06Å; V753-M779 HydrophobicContact CG2-SD 4.18Å
754	F	85.2	Confident	87.2	Confident	94 Å²	94	68.3 Å²	68.3	41%	0.412	35%	0.354	S	S	.	.	H	α-helix	trans	-63.8	-39.8	176.7	-172.4	-95.1	0	0	0	112	L750 F751 E752 T757 K759 A765	L750-F754 WeakPolarHBondContact O-CB 3.34Å; L750-F754 PolarHBondContact O-N 3.48Å; F751-F754 PolarHBondContact O-N 2.95Å; E752-F754 VanDerWaalsContact C-N 3.34Å; E752-F754 PolarHBondContact O-N 2.91Å; F754-T757 PolarHBondContact O-N 2.75Å; F754-K759 WeakPolarHBondContact O-CE 3.31Å; F754-K759 PolarHBondContact O-NZ 3.21Å; F754-A765 HydrophobicContact CD2-CB 3.7Å; F754-A765 HydrophobicContact CE2-CB 3.51Å; F754-A765 HydrophobicContact CZ-CB 4.31Å
755	K	84.8	Confident	86.7	Confident	127 Å²	127	69.3 Å²	69.3	55%	0.552	36%	0.362	S	S	*	.	H	α-helix	trans	-65.6	-37.8	174.8	-80.3	176.6	173	-179.5	0	112.7	E590 F751 E752 V753 K759	E590-K755 WeakPolarHBondContact OE2-CE 3.44Å; E590-K755 IonicContact OE2-NZ 2.62Å; E590-K755 PolarHBondContact OE2-NZ 3.45Å; F751-K755 WeakPolarHBondContact O-CB 3.36Å; F751-K755 VanDerWaalsContact O-CG 3.31Å; F751-K755 WeakPolarHBondContact O-CG 3.32Å; F751-K755 PolarHBondContact O-N 3.27Å; E752-K755 PolarHBondContact O-N 2.97Å; V753-K755 VanDerWaalsContact C-N 3.35Å; V753-K755 PolarHBondContact O-N 3.44Å; K755-K759 VanDerWaalsContact C-NZ 3.28Å; K755-K759 PolarHBondContact O-NZ 3.29Å
756	A	84.3	Confident	86.3	Confident	86 Å²	86	75 Å²	75	71%	0.711	39%	0.392	S	S	*	.	H	α-helix	trans	-74.3	-26	178.7	0	0	0	0	0	113.2	E752 V753	E752-A756 WeakPolarHBondContact O-CB 3.45Å; E752-A756 PolarHBondContact O-N 3.42Å; V753-A756 PolarHBondContact O-N 3.03Å
757	T	85.2	Confident	85.9	Confident	20 Å²	20	76.1 Å²	76.1	12%	0.123	40%	0.398	C	S	.	.	S	Bend	trans	-78.4	135.2	-176.9	-53.1	0	0	0	0	111.1	V753 F754 K759 A765 F767	V753-T757 WeakPolarHBondContact O-CB 3.3Å; V753-T757 PolarHBondContact O-N 3.08Å; V753-T757 PolarHBondContact O-OG1 2.79Å; F754-T757 PolarHBondContact O-N 2.75Å; T757-K759 WeakPolarHBondContact O-CD 3.44Å; T757-K759 VanDerWaalsContact O-CE 3.26Å; T757-K759 WeakPolarHBondContact O-CE 3.44Å; T757-K759 PolarHBondContact O-NZ 3.42Å; T757-A765 HydrophobicContact CG2-CB 3.87Å; T757-F767 HydrophobicContact CG2-CE1 4.15Å; T757-F767 HydrophobicContact CG2-CE2 4.32Å; T757-F767 HydrophobicContact CG2-CZ 4Å; T757-F767 WeakPolarHBondContact OG1-CZ 3.46Å
758	P	85.2	Confident	85.8	Confident	104 Å²	104	79.4 Å²	79.4	68%	0.675	42%	0.419	S	S	*	.			trans	-58.7	139.9	174.6	-23.5	33.7	0	0	0	112
759	K	86.9	Confident	85.6	Confident	84 Å²	84	85.9 Å²	85.9	37%	0.365	45%	0.449	S	S	.	.	B	Isolated β-bridge	trans	-106.5	148.4	177.5	-61.5	91.2	-175.4	151.8	0	110.9	F754 K755 T757 Q764	F754-K759 WeakPolarHBondContact O-CE 3.31Å; F754-K759 PolarHBondContact O-NZ 3.21Å; K755-K759 VanDerWaalsContact C-NZ 3.28Å; K755-K759 PolarHBondContact O-NZ 3.29Å; T757-K759 WeakPolarHBondContact O-CD 3.44Å; T757-K759 VanDerWaalsContact O-CE 3.26Å; T757-K759 WeakPolarHBondContact O-CE 3.44Å; T757-K759 PolarHBondContact O-NZ 3.42Å; K759-Q764 VanDerWaalsContact CA-O 3.28Å; K759-Q764 WeakPolarHBondContact CA-O 3.39Å
760	N	87.3	Confident	85.7	Confident	49 Å²	49	88.8 Å²	88.8	26%	0.262	47%	0.47	S	S	.	.			trans	-78.1	179.7	165.7	69.8	9.9	0	0	0	111.5	Q762 L763 Q764 L766	N760-Q762 PolarHBondContact O-N 3.42Å; N760-Q762 VanDerWaalsContact O-N 3.07Å; N760-Q762 WeakPolarHBondContact OD1-CA 3.27Å; N760-Q762 WeakPolarHBondContact OD1-CB 3.45Å; N760-Q762 PolarHBondContact OD1-N 3.42Å; N760-L763 PolarHBondContact O-N 3.43Å; N760-L763 PolarHBondContact OD1-N 3.2Å; N760-Q764 PolarHBondContact N-O 3.35Å; N760-Q764 PolarHBondContact ND2-OE1 3.2Å; N760-Q764 WeakPolarHBondContact OD1-CB 3.4Å; N760-Q764 PolarHBondContact OD1-N 2.77Å; N760-L766 HydrophobicContact CB-CD1 4.39Å
761	D	83.7	Confident	85.6	Confident	176 Å²	176	89.2 Å²	89.2	94%	0.941	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-17.2	179.5	-59	-27.3	0	0	0	113.8
762	Q	84.6	Confident	85.6	Confident	141 Å²	141	93.9 Å²	93.9	66%	0.659	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	14.4	176.1	-61.1	-178.3	-9.1	0	0	112.7	N760 Q764	N760-Q762 PolarHBondContact O-N 3.42Å; N760-Q762 VanDerWaalsContact O-N 3.07Å; N760-Q762 WeakPolarHBondContact OD1-CA 3.27Å; N760-Q762 WeakPolarHBondContact OD1-CB 3.45Å; N760-Q762 PolarHBondContact OD1-N 3.42Å; Q762-Q764 HydrophobicContact CB-CG 4.18Å; Q762-Q764 PolarHBondContact O-N 2.96Å
763	L	83.4	Confident	85.8	Confident	137 Å²	137	93.6 Å²	93.6	72%	0.717	49%	0.494	S	S	*	.	S	Bend	trans	60.4	23.7	-177.3	-59.4	172	0	0	0	114.4	N760	N760-L763 PolarHBondContact O-N 3.43Å; N760-L763 PolarHBondContact OD1-N 3.2Å
764	Q	84.8	Confident	85.8	Confident	76 Å²	76	95.8 Å²	95.8	36%	0.355	50%	0.504	S	S	.	.	P	Polyproline II helix	trans	-93.5	130.7	177.3	-57.4	169	-10.5	0	0	110.3	K759 N760 Q762	K759-Q764 VanDerWaalsContact CA-O 3.28Å; K759-Q764 WeakPolarHBondContact CA-O 3.39Å; N760-Q764 PolarHBondContact N-O 3.35Å; N760-Q764 PolarHBondContact ND2-OE1 3.2Å; N760-Q764 WeakPolarHBondContact OD1-CB 3.4Å; N760-Q764 PolarHBondContact OD1-N 2.77Å; Q762-Q764 HydrophobicContact CB-CG 4.18Å; Q762-Q764 PolarHBondContact O-N 2.96Å
765	A	84.2	Confident	85.6	Confident	21 Å²	21	92.4 Å²	92.4	17%	0.174	49%	0.493	C	S	.	.	B	Isolated β-bridge	trans	-78.9	127.9	171	0	0	0	0	0	110.4	F754 T757 F767	F754-A765 HydrophobicContact CD2-CB 3.7Å; F754-A765 HydrophobicContact CE2-CB 3.51Å; F754-A765 HydrophobicContact CZ-CB 4.31Å; T757-A765 HydrophobicContact CG2-CB 3.87Å; A765-F767 HydrophobicContact CB-CE2 3.79Å; A765-F767 HydrophobicContact CB-CZ 4.41Å
766	L	85.3	Confident	85.6	Confident	120 Å²	120	88.6 Å²	88.6	63%	0.628	49%	0.485	S	S	*	.	P	Polyproline II helix	trans	-98.9	124.1	178.8	-73.2	159	0	0	0	109.4	N760	N760-L766 HydrophobicContact CB-CD1 4.39Å
767	F	83.9	Confident	85.6	Confident	74 Å²	74	91.4 Å²	91.4	33%	0.325	49%	0.487	S	S	.	.			trans	-115.2	138.6	173.3	-64.7	-92.6	0	0	0	109.4	V753 T757 A765 E771 F772	V753-F767 HydrophobicContact CG1-CE1 4.02Å; V753-F767 HydrophobicContact CG1-CZ 4.06Å; T757-F767 HydrophobicContact CG2-CE1 4.15Å; T757-F767 HydrophobicContact CG2-CE2 4.32Å; T757-F767 HydrophobicContact CG2-CZ 4Å; T757-F767 WeakPolarHBondContact OG1-CZ 3.46Å; A765-F767 HydrophobicContact CB-CE2 3.79Å; A765-F767 HydrophobicContact CB-CZ 4.41Å; F767-E771 HydrophobicContact CD1-CB 4.21Å; F767-F772 HydrophobicContact CB-CB 3.92Å
768	T	88.8	Confident	85.3	Confident	79 Å²	79	94.2 Å²	94.2	49%	0.485	50%	0.496	S	S	.	.			trans	-68.4	159	158.3	62.6	0	0	0	0	110	S770 E771 F772	T768-S770 PolarHBondContact O-N 2.84Å; T768-E771 WeakPolarHBondContact CB-OE2 3.25Å; T768-E771 WeakPolarHBondContact CG2-OE2 3.34Å; T768-E771 PolarHBondContact N-OE2 3.29Å; T768-E771 PolarHBondContact O-N 3.09Å; T768-E771 WeakPolarHBondContact OG1-CB 3.21Å; T768-E771 WeakPolarHBondContact OG1-CG 3.34Å; T768-E771 PolarHBondContact OG1-N 3.34Å; T768-E771 PolarHBondContact OG1-OE2 3.33Å; T768-F772 WeakPolarHBondContact O-CB 3.48Å; T768-F772 PolarHBondContact O-N 3.41Å
769	E	87.3	Confident	84.7	Confident	167 Å²	167	91.8 Å²	91.8	78%	0.78	48%	0.477	S	S	*	.	H	α-helix	trans	-55.2	-41	176.6	-173.3	177.9	166.1	0	0	111.6	F772 V773	E769-F772 PolarHBondContact O-N 2.93Å; E769-V773 HydrophobicContact CG-CG2 4.42Å; E769-V773 WeakPolarHBondContact O-CB 3.5Å; E769-V773 VanDerWaalsContact O-CG2 3.22Å; E769-V773 WeakPolarHBondContact O-CG2 3.3Å; E769-V773 PolarHBondContact O-N 3.05Å
770	S	89.7	Confident	84.5	Confident	76 Å²	76	92.2 Å²	92.2	53%	0.531	48%	0.482	S	S	.	.	H	α-helix	trans	-65.1	-45.2	177.5	-174.8	0	0	0	0	112.6	T768 N774	T768-S770 PolarHBondContact O-N 2.84Å; S770-N774 VanDerWaalsContact O-CB 3.27Å; S770-N774 WeakPolarHBondContact O-CB 2.83Å; S770-N774 PolarHBondContact O-N 2.99Å; S770-N774 PolarHBondContact O-ND2 3.41Å; S770-N774 PolarHBondContact OG-ND2 2.96Å
771	E	86.1	Confident	84.4	Confident	99 Å²	99	94.5 Å²	94.5	46%	0.463	49%	0.494	S	S	.	.	H	α-helix	trans	-65.2	-41.5	177.7	-72.6	160.5	158.1	0	0	111.4	F767 T768 S775	F767-E771 HydrophobicContact CD1-CB 4.21Å; T768-E771 WeakPolarHBondContact CB-OE2 3.25Å; T768-E771 WeakPolarHBondContact CG2-OE2 3.34Å; T768-E771 PolarHBondContact N-OE2 3.29Å; T768-E771 PolarHBondContact O-N 3.09Å; T768-E771 WeakPolarHBondContact OG1-CB 3.21Å; T768-E771 WeakPolarHBondContact OG1-CG 3.34Å; T768-E771 PolarHBondContact OG1-N 3.34Å; T768-E771 PolarHBondContact OG1-OE2 3.33Å; E771-S775 VanDerWaalsContact O-CB 3.25Å; E771-S775 WeakPolarHBondContact O-CB 3.42Å; E771-S775 PolarHBondContact O-N 3.42Å; E771-S775 PolarHBondContact O-OG 3Å
772	F	87.3	Confident	84.4	Confident	124 Å²	124	89.9 Å²	89.9	54%	0.544	47%	0.469	S	S	.	.	H	α-helix	trans	-63	-51.1	177.1	178	-103.4	0	0	0	111.2	F767 T768 E769 N774 S775 A776	F767-F772 HydrophobicContact CB-CB 3.92Å; T768-F772 WeakPolarHBondContact O-CB 3.48Å; T768-F772 PolarHBondContact O-N 3.41Å; E769-F772 PolarHBondContact O-N 2.93Å; F772-N774 PolarHBondContact O-N 3.19Å; F772-S775 PolarHBondContact O-N 3.46Å; F772-A776 WeakPolarHBondContact O-CB 3.27Å; F772-A776 PolarHBondContact O-N 2.93Å
773	V	88.3	Confident	84.4	Confident	73 Å²	73	86.9 Å²	86.9	44%	0.442	46%	0.458	S	S	.	.	H	α-helix	trans	-61.9	-44.4	179.9	171.1	0	0	0	0	111.1	E769 A776 L777	E769-V773 HydrophobicContact CG-CG2 4.42Å; E769-V773 WeakPolarHBondContact O-CB 3.5Å; E769-V773 VanDerWaalsContact O-CG2 3.22Å; E769-V773 WeakPolarHBondContact O-CG2 3.3Å; E769-V773 PolarHBondContact O-N 3.05Å; V773-A776 PolarHBondContact O-N 3.06Å; V773-L777 VanDerWaalsContact O-CB 3.23Å; V773-L777 WeakPolarHBondContact O-CB 3.45Å; V773-L777 PolarHBondContact O-N 2.68Å
774	N	85	Confident	84.5	Confident	84 Å²	84	83.8 Å²	83.8	45%	0.449	44%	0.441	S	S	.	.	H	α-helix	trans	-64	-44.5	177.8	-79.7	-47.3	0	0	0	112	S770 F772 L777 Y778	S770-N774 VanDerWaalsContact O-CB 3.27Å; S770-N774 WeakPolarHBondContact O-CB 2.83Å; S770-N774 PolarHBondContact O-N 2.99Å; S770-N774 PolarHBondContact O-ND2 3.41Å; S770-N774 PolarHBondContact OG-ND2 2.96Å; F772-N774 PolarHBondContact O-N 3.19Å; N774-L777 PolarHBondContact O-N 3.16Å; N774-Y778 WeakPolarHBondContact O-CB 3.23Å; N774-Y778 PolarHBondContact O-N 3.2Å; N774-Y778 VanDerWaalsContact O-N 3.14Å
775	S	82.1	Confident	84.5	Confident	24 Å²	24	84.3 Å²	84.3	17%	0.168	45%	0.447	C	S	.	.	H	α-helix	trans	-64.2	-47.5	178.4	-54.3	0	0	0	0	110.2	E771 F772 L777 Y778 M779	E771-S775 VanDerWaalsContact O-CB 3.25Å; E771-S775 WeakPolarHBondContact O-CB 3.42Å; E771-S775 PolarHBondContact O-N 3.42Å; E771-S775 PolarHBondContact O-OG 3Å; F772-S775 PolarHBondContact O-N 3.46Å; S775-L777 VanDerWaalsContact C-N 3.29Å; S775-L777 PolarHBondContact O-N 3.15Å; S775-Y778 PolarHBondContact O-N 3.49Å; S775-M779 VanDerWaalsContact C-CE 3.46Å; S775-M779 VanDerWaalsContact O-CB 3.32Å; S775-M779 WeakPolarHBondContact O-CB 3.39Å; S775-M779 VanDerWaalsContact O-CE 3.25Å; S775-M779 WeakPolarHBondContact O-CE 3.44Å; S775-M779 WeakPolarHBondContact O-CG 3.44Å; S775-M779 PolarHBondContact O-N 2.81Å
776	A	84.4	Confident	84.5	Confident	47 Å²	47	88.9 Å²	88.9	39%	0.388	47%	0.467	S	S	.	.	H	α-helix	trans	-68.4	-23.2	-177.5	0	0	0	0	0	114.5	F772 V773	F772-A776 WeakPolarHBondContact O-CB 3.27Å; F772-A776 PolarHBondContact O-N 2.93Å; V773-A776 PolarHBondContact O-N 3.06Å
777	L	84.2	Confident	84.4	Confident	144 Å²	144	86.5 Å²	86.5	75%	0.754	45%	0.454	S	S	*	.	H	α-helix	trans	-89.1	-29.8	179	-168.3	133.6	0	0	0	112.6	V773 N774 S775	V773-L777 VanDerWaalsContact O-CB 3.23Å; V773-L777 WeakPolarHBondContact O-CB 3.45Å; V773-L777 PolarHBondContact O-N 2.68Å; N774-L777 PolarHBondContact O-N 3.16Å; S775-L777 VanDerWaalsContact C-N 3.29Å; S775-L777 PolarHBondContact O-N 3.15Å
778	Y	78.1	Confident	84.5	Confident	79 Å²	79	87.5 Å²	87.5	31%	0.31	47%	0.465	S	S	.	.	H	α-helix	trans	-83.3	-31.3	178.1	-169.9	-99.5	0	0	0	112.2	A660 D663 N774 S775	A660-Y778 HydrophobicContact CB-CD1 4.32Å; A660-Y778 HydrophobicContact CB-CE1 4.07Å; A660-Y778 WeakPolarHBondContact CB-O 3.34Å; D663-Y778 WeakPolarHBondContact CB-OH 3.14Å; D663-Y778 PolarHBondContact OD2-OH 2.76Å; N774-Y778 WeakPolarHBondContact O-CB 3.23Å; N774-Y778 PolarHBondContact O-N 3.2Å; N774-Y778 VanDerWaalsContact O-N 3.14Å; S775-Y778 PolarHBondContact O-N 3.49Å
779	M	72.7	Confident	84.1	Confident	54 Å²	54	88.3 Å²	88.3	27%	0.266	46%	0.463	S	S	.	.			trans	-71.6	0	166.9	-66.5	-174.6	-65.5	0	0	111.9	I749 L750 V753 S775	I749-M779 HydrophobicContact CD1-CG 3.74Å; I749-M779 HydrophobicContact CG1-CG 3.91Å; I749-M779 HydrophobicContact CG1-SD 4.29Å; I749-M779 HydrophobicContact CG2-CB 4.33Å; I749-M779 HydrophobicContact CG2-CG 3.9Å; I749-M779 HydrophobicContact CG2-SD 4.09Å; L750-M779 HydrophobicContact CD2-CE 3.59Å; L750-M779 HydrophobicContact CD2-SD 3.46Å; L750-M779 WeakPolarHBondContact CD2-SD 3.46Å; L750-M779 HydrophobicContact CG-SD 3.94Å; V753-M779 HydrophobicContact CG2-SD 4.18Å; S775-M779 VanDerWaalsContact C-CE 3.46Å; S775-M779 VanDerWaalsContact O-CB 3.32Å; S775-M779 WeakPolarHBondContact O-CB 3.39Å; S775-M779 VanDerWaalsContact O-CE 3.25Å; S775-M779 WeakPolarHBondContact O-CE 3.44Å; S775-M779 WeakPolarHBondContact O-CG 3.44Å; S775-M779 PolarHBondContact O-N 2.81Å

Retrieved 779 of 779 residues in 432.5 ms (Link to these results)

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