A0A3Q0KS56_SCHMA Loading...

Putative ATPase

AlphaFold DB , UniProt , Accession A0A3Q0KS56, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 582 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.6	Very low	38.9	Very low	234 Å²	234	168.9 Å²	168.9	100%	1.153	88%	0.884	S	S	*	*				0	106.1	0	-78.2	-73.2	-95	0	0	107.7
2	S	36.8	Very low	38.5	Very low	111 Å²	111	163.5 Å²	163.5	78%	0.776	87%	0.871	S	S	*	*			trans	50.6	133.3	169.6	63.5	0	0	0	0	120.9
3	W	43.8	Very low	38.6	Very low	244 Å²	244	165.1 Å²	165.1	92%	0.924	87%	0.865	S	S	*	*			trans	110.4	73.3	164.7	-74.8	73.5	0	0	0	117.3
4	L	45.1	Very low	38.5	Very low	163 Å²	163	163.8 Å²	163.8	85%	0.853	86%	0.86	S	S	*	*			trans	-152.2	41.3	160.9	-133.3	134.1	0	0	0	113.7
5	F	43	Very low	38.6	Very low	215 Å²	215	163.9 Å²	163.9	94%	0.943	85%	0.851	S	S	*	*			trans	-144.1	105.5	165.3	-84.6	-80.4	0	0	0	108.8
6	G	38.4	Very low	39.3	Very low	79 Å²	79	162.9 Å²	162.9	81%	0.814	85%	0.847	S	S	*	*			trans	-144	88.5	-179.5	0	0	0	0	0	110.1
7	F	36.9	Very low	39.7	Very low	218 Å²	218	162.1 Å²	162.1	96%	0.956	84%	0.842	S	S	*	*			trans	-47.9	132.7	169.5	-109.2	-107.7	0	0	0	112
8	G	38.3	Very low	40.3	Very low	73 Å²	73	158.7 Å²	158.7	75%	0.753	83%	0.832	S	S	*	*			trans	-151.9	80.5	178.5	0	0	0	0	0	113.2
9	K	34.3	Very low	41	Very low	197 Å²	197	156.4 Å²	156.4	86%	0.857	83%	0.831	S	S	*	*			trans	37.9	99.9	154.5	-73.1	177.4	173.7	178.6	0	118.4	T11	K9-T11 PolarHBondContact O-N 3.09Å
10	Q	33.1	Very low	41.7	Very low	201 Å²	201	155.9 Å²	155.9	94%	0.939	83%	0.828	S	S	*	*			trans	-66.4	108.7	151.3	-79.4	172.1	-42.5	0	0	109.1	S12	Q10-S12 PolarHBondContact O-N 3.36Å
11	T	39.1	Very low	42.1	Very low	123 Å²	123	151.2 Å²	151.2	76%	0.755	81%	0.805	S	S	*	*			trans	-81	103.1	161.1	48.1	0	0	0	0	107.8	K9 K13	K9-T11 PolarHBondContact O-N 3.09Å; T11-K13 PolarHBondContact O-N 3.37Å; T11-K13 VanDerWaalsContact O-N 3.11Å
12	S	34.3	Very low	42.9	Very low	104 Å²	104	144 Å²	144	73%	0.727	78%	0.776	S	S	*	*			trans	-64	103.4	161.7	49.8	0	0	0	0	107.7	Q10 D14	Q10-S12 PolarHBondContact O-N 3.36Å; S12-D14 PolarHBondContact O-N 3.45Å
13	K	40.6	Very low	44.1	Very low	184 Å²	184	144 Å²	144	80%	0.8	77%	0.773	S	S	*	*			trans	-74.7	112.1	160	-91.2	-178.3	172.8	178.5	0	106.4	T11 F15	T11-K13 PolarHBondContact O-N 3.37Å; T11-K13 VanDerWaalsContact O-N 3.11Å; K13-F15 PolarHBondContact O-N 3.41Å
14	D	36	Very low	44.7	Very low	147 Å²	147	136.3 Å²	136.3	79%	0.786	76%	0.755	S	S	*	*			trans	-53.3	118.6	166.9	-70.1	-42.8	0	0	0	108.3	S12 D16	S12-D14 PolarHBondContact O-N 3.45Å; D14-D16 PolarHBondContact O-N 2.76Å
15	F	40.9	Very low	45.3	Very low	165 Å²	165	129.6 Å²	129.6	72%	0.724	72%	0.721	S	S	*	*			trans	-79.8	102.3	173.8	-106.4	-93.5	0	0	0	107.3	K13 I17	K13-F15 PolarHBondContact O-N 3.41Å; F15-I17 PolarHBondContact O-N 3.15Å; F15-I17 VanDerWaalsContact O-N 3.14Å
16	D	49.2	Very low	46	Very low	149 Å²	149	125.2 Å²	125.2	80%	0.797	71%	0.712	S	S	*	*			trans	-58.2	114.1	164.9	-79.5	-39	0	0	0	108.7	D14 P18	D14-D16 PolarHBondContact O-N 2.76Å; D16-P18 WeakPolarHBondContact O-CD 3.44Å
17	I	46.1	Very low	46.8	Very low	149 Å²	149	125.5 Å²	125.5	76%	0.764	70%	0.7	S	S	*	*			trans	-67.9	122.8	174.3	-59	164.9	0	0	0	106.8	F15 S19	F15-I17 PolarHBondContact O-N 3.15Å; F15-I17 VanDerWaalsContact O-N 3.14Å; I17-S19 PolarHBondContact O-N 2.79Å
18	P	51.7	Low	47.4	Very low	101 Å²	101	121 Å²	121	66%	0.656	69%	0.692	S	S	*	*			trans	-60.4	124.5	172.3	-17.4	29.7	0	0	0	109.1	D16 D20	D16-P18 WeakPolarHBondContact O-CD 3.44Å; P18-D20 PolarHBondContact O-N 3.37Å
19	S	53.4	Low	47.7	Very low	115 Å²	115	121.9 Å²	121.9	80%	0.804	69%	0.692	S	S	*	*	S	Bend	trans	-70.7	20.9	-174.8	53	0	0	0	0	115.2	I17	I17-S19 PolarHBondContact O-N 2.79Å
20	D	53.5	Low	47.9	Very low	146 Å²	146	117.9 Å²	117.9	78%	0.781	69%	0.689	S	S	*	*			trans	-102.9	24.4	-169.8	-78.5	-19.7	0	0	0	113.8	P18 P22	P18-D20 PolarHBondContact O-N 3.37Å; D20-P22 WeakPolarHBondContact O-CD 3.44Å
21	V	50.9	Low	48.1	Very low	58 Å²	58	116.5 Å²	116.5	35%	0.352	69%	0.687	S	S	.	*	P	Polyproline II helix	trans	-83.6	116.4	169.1	-170.9	0	0	0	0	108.1	Y92 I99	V21-Y92 HydrophobicContact CG1-CD2 4.08Å; V21-Y92 HydrophobicContact CG1-CE2 3.39Å; V21-I99 HydrophobicContact CG2-CD1 3.94Å
22	P	56.1	Low	48.2	Very low	81 Å²	81	119.6 Å²	119.6	53%	0.526	69%	0.693	S	S	.	*	P	Polyproline II helix	trans	-58.7	135.5	171.4	23	-29.8	0	0	0	108.6	D20 Y92	D20-P22 WeakPolarHBondContact O-CD 3.44Å; P22-Y92 HydrophobicContact CG-CD2 4.48Å; P22-Y92 WeakPolarHBondContact O-CD2 3.37Å; P22-Y92 WeakPolarHBondContact O-CE2 3.44Å
23	P	61.4	Low	48.4	Very low	111 Å²	111	122 Å²	122	72%	0.721	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-57.5	147.2	179.6	24.3	-33.1	0	0	0	109.9
24	P	56.8	Low	48.2	Very low	83 Å²	83	122.9 Å²	122.9	54%	0.539	70%	0.702	S	S	.	*	P	Polyproline II helix	trans	-54.3	138.2	177	23.6	-33.5	0	0	0	109.4	T26	P24-T26 PolarHBondContact O-N 3.4Å; P24-T26 VanDerWaalsContact O-N 3.16Å
25	P	57.5	Low	48.3	Very low	23 Å²	23	124.6 Å²	124.6	15%	0.149	70%	0.702	C	S	.	*	P	Polyproline II helix	trans	-63	124.2	-178.8	27.2	-33.9	0	0	0	108.8	Y85 K88 M89	P25-Y85 HydrophobicContact CB-CD2 3.85Å; P25-Y85 HydrophobicContact CB-CE2 3.52Å; P25-Y85 HydrophobicContact CG-CD2 4.22Å; P25-Y85 HydrophobicContact CG-CE2 3.73Å; P25-Y85 WeakPolarHBondContact O-CE2 3.13Å; P25-Y85 PolarHBondContact O-OH 3.46Å; P25-K88 HydrophobicContact CB-CB 4.1Å; P25-K88 HydrophobicContact CB-CD 4.45Å; P25-K88 HydrophobicContact CG-CB 4.12Å; P25-M89 HydrophobicContact CG-CG 3.71Å; P25-M89 HydrophobicContact CG-SD 3.4Å; P25-M89 WeakPolarHBondContact CG-SD 3.4Å
26	T	58.5	Low	48.2	Very low	122 Å²	122	125 Å²	125	75%	0.748	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-69.2	133	174.2	41.8	0	0	0	0	109.6	P24	P24-T26 PolarHBondContact O-N 3.4Å; P24-T26 VanDerWaalsContact O-N 3.16Å
27	P	53.8	Low	47.3	Very low	86 Å²	86	123 Å²	123	56%	0.558	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-58.5	154.1	173.6	24	-31.6	0	0	0	110.6	A29	P27-A29 PolarHBondContact O-N 3.18Å
28	P	49.2	Very low	46.9	Very low	123 Å²	123	124.7 Å²	124.7	80%	0.799	71%	0.706	S	S	*	*			trans	-64	98.8	-179.7	25.6	-30.8	0	0	0	109.4
29	A	45.6	Very low	46.5	Very low	91 Å²	91	126.1 Å²	126.1	75%	0.752	71%	0.708	S	S	*	*			trans	-90.5	132.8	175.2	0	0	0	0	0	109.5	P27 L31	P27-A29 PolarHBondContact O-N 3.18Å; A29-L31 PolarHBondContact O-N 3.17Å
30	S	39.2	Very low	46.4	Very low	114 Å²	114	127.1 Å²	127.1	80%	0.797	71%	0.709	S	S	*	*			trans	-44.3	131.7	170.8	49.6	0	0	0	0	112.2	Q32	S30-Q32 PolarHBondContact O-N 3.2Å; S30-Q32 VanDerWaalsContact O-N 3.11Å
31	L	37.3	Very low	46.3	Very low	172 Å²	172	125 Å²	125	90%	0.901	71%	0.712	S	S	*	*	S	Bend	trans	-16.4	102.9	166.6	-72.6	152.7	0	0	0	114.2	A29	A29-L31 PolarHBondContact O-N 3.17Å
32	Q	40.9	Very low	46.5	Very low	188 Å²	188	126.6 Å²	126.6	88%	0.879	73%	0.726	S	S	*	*			trans	-163	146.2	148.1	-111.5	167.7	22.5	0	0	111.9	S30	S30-Q32 PolarHBondContact O-N 3.2Å; S30-Q32 VanDerWaalsContact O-N 3.11Å
33	D	38.8	Very low	46.4	Very low	155 Å²	155	126.8 Å²	126.8	83%	0.829	73%	0.734	S	S	*	*			trans	-72	152.5	-149	-77.9	-65.2	0	0	0	117.2	K35	D33-K35 PolarHBondContact O-N 3.05Å; D33-K35 VanDerWaalsContact O-N 3.13Å
34	K	35	Very low	46.2	Very low	202 Å²	202	132.4 Å²	132.4	88%	0.878	74%	0.742	S	S	*	*			trans	-54.2	109.9	156.7	-74.4	174.5	173.4	173.5	0	109.8
35	K	37.6	Very low	46.2	Very low	183 Å²	183	139.5 Å²	139.5	80%	0.796	76%	0.758	S	S	*	*				156.8	137.2	129.2	-88.5	167.7	177.8	178.9	0	111.7	D33	D33-K35 PolarHBondContact O-N 3.05Å; D33-K35 VanDerWaalsContact O-N 3.13Å
36	Q	39.6	Very low	46.3	Very low	174 Å²	174	146.2 Å²	146.2	81%	0.813	79%	0.785	S	S	*	*			trans	69.5	100.8	150.3	-72.2	172.3	-19.9	0	0	118.7
37	S	31.2	Very low	46.9	Very low	105 Å²	105	144.5 Å²	144.5	73%	0.734	77%	0.772	S	S	*	*				23.2	105.8	128.8	62.2	0	0	0	0	118.3
38	K	36.9	Very low	47.8	Very low	185 Å²	185	144.2 Å²	144.2	80%	0.804	77%	0.772	S	S	*	*			trans	150.3	140.5	130.6	-87.4	177.3	172.6	179.8	0	110.2
39	D	44	Very low	49.2	Very low	131 Å²	131	140.4 Å²	140.4	70%	0.701	75%	0.751	S	S	*	*			trans	72	78.4	161.1	-51.7	-24.3	0	0	0	117.3	A41	D39-A41 PolarHBondContact O-N 2.81Å
40	T	50.4	Low	50.5	Low	136 Å²	136	137.9 Å²	137.9	83%	0.834	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.3	11.7	174.6	43.4	0	0	0	0	115.5
41	A	50.6	Low	52.2	Low	101 Å²	101	137 Å²	137	84%	0.835	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.3	-6.7	-174.4	0	0	0	0	0	114.8	D39	D39-A41 PolarHBondContact O-N 2.81Å
42	S	55.6	Low	54.1	Low	93 Å²	93	135.7 Å²	135.7	65%	0.65	71%	0.705	S	S	*	*	S	Bend	trans	-107.8	-4.1	-176.5	60.1	0	0	0	0	115.1	Y44	S42-Y44 PolarHBondContact O-N 3.41Å; S42-Y44 VanDerWaalsContact O-N 3.1Å
43	A	55.2	Low	55.8	Low	84 Å²	84	134.8 Å²	134.8	69%	0.694	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.8	0	-169.8	0	0	0	0	0	116
44	Y	56	Low	57.6	Low	229 Å²	229	130.3 Å²	130.3	90%	0.898	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.6	16.2	179.5	-72.4	-81.4	0	0	0	114.2	S42 F46	S42-Y44 PolarHBondContact O-N 3.41Å; S42-Y44 VanDerWaalsContact O-N 3.1Å; Y44-F46 PolarHBondContact O-N 2.84Å
45	R	57.2	Low	59.5	Low	232 Å²	232	122.7 Å²	122.7	88%	0.875	65%	0.653	S	S	*	*			trans	-78	110.9	171.9	-94.6	-178.2	137.7	178.4	-5.1	110.7	D47	R45-D47 PolarHBondContact O-N 3.26Å; R45-D47 VanDerWaalsContact O-N 3.11Å
46	F	60.7	Low	61.6	Low	164 Å²	164	120.3 Å²	120.3	72%	0.719	64%	0.643	S	S	*	*			trans	-58.2	108	170.8	-177	-99.6	0	0	0	110.4	Y44 S48 L51	Y44-F46 PolarHBondContact O-N 2.84Å; F46-S48 PolarHBondContact O-N 2.86Å; F46-L51 HydrophobicContact CE1-CD1 4.1Å; F46-L51 HydrophobicContact CE2-CD1 3.45Å; F46-L51 VanDerWaalsContact CE2-CD1 3.45Å; F46-L51 HydrophobicContact CZ-CD1 3.2Å
47	D	70	Confident	63.5	Low	86 Å²	86	114.2 Å²	114.2	46%	0.46	62%	0.622	S	S	.	*			trans	-81.7	91.2	177.2	-173	4.6	0	0	0	110	R45 A49 A50 L51	R45-D47 PolarHBondContact O-N 3.26Å; R45-D47 VanDerWaalsContact O-N 3.11Å; D47-A49 PolarHBondContact O-N 2.86Å; D47-A49 WeakPolarHBondContact OD1-CB 3.5Å; D47-A49 PolarHBondContact OD1-N 3.39Å; D47-A49 VanDerWaalsContact OD1-N 3.15Å; D47-A50 HydrophobicContact CB-CB 4.13Å; D47-A50 PolarHBondContact O-N 3.03Å; D47-A50 PolarHBondContact OD1-N 2.93Å; D47-L51 PolarHBondContact O-N 3.33Å
48	S	73.9	Confident	65.5	Low	80 Å²	80	111.6 Å²	111.6	56%	0.559	61%	0.607	S	S	*	*	H	α-helix	trans	-58.9	-27.6	177.4	57.3	0	0	0	0	112.5	F46 L51 E52	F46-S48 PolarHBondContact O-N 2.86Å; S48-L51 PolarHBondContact O-N 3.43Å; S48-E52 WeakPolarHBondContact O-CB 3.27Å; S48-E52 PolarHBondContact O-N 3.43Å
49	A	77.4	Confident	67.4	Low	43 Å²	43	111.7 Å²	111.7	36%	0.355	60%	0.602	S	S	.	*	H	α-helix	trans	-75.7	-29.3	-179.4	0	0	0	0	0	112.8	D47 R53	D47-A49 PolarHBondContact O-N 2.86Å; D47-A49 WeakPolarHBondContact OD1-CB 3.5Å; D47-A49 PolarHBondContact OD1-N 3.39Å; D47-A49 VanDerWaalsContact OD1-N 3.15Å; A49-R53 WeakPolarHBondContact O-CB 3.37Å; A49-R53 WeakPolarHBondContact O-CG 3.47Å; A49-R53 PolarHBondContact O-N 3.02Å; A49-R53 PolarHBondContact O-NE 2.9Å
50	A	73.2	Confident	69.1	Low	39 Å²	39	110.8 Å²	110.8	32%	0.322	59%	0.594	S	S	.	*	H	α-helix	trans	-68.7	-42.2	172	0	0	0	0	0	111.2	D47 E52 R53 A54	D47-A50 HydrophobicContact CB-CB 4.13Å; D47-A50 PolarHBondContact O-N 3.03Å; D47-A50 PolarHBondContact OD1-N 2.93Å; A50-E52 VanDerWaalsContact C-N 3.35Å; A50-R53 PolarHBondContact O-N 2.96Å; A50-A54 WeakPolarHBondContact O-CB 3.35Å; A50-A54 PolarHBondContact O-N 3.38Å
51	L	73.8	Confident	70.1	Confident	96 Å²	96	108.2 Å²	108.2	50%	0.503	58%	0.575	S	S	.	*	H	α-helix	trans	-64.6	-39.4	175.7	-115.8	160.9	0	0	0	112	F46 D47 S48 A54 A55	F46-L51 HydrophobicContact CE1-CD1 4.1Å; F46-L51 HydrophobicContact CE2-CD1 3.45Å; F46-L51 VanDerWaalsContact CE2-CD1 3.45Å; F46-L51 HydrophobicContact CZ-CD1 3.2Å; D47-L51 PolarHBondContact O-N 3.33Å; S48-L51 PolarHBondContact O-N 3.43Å; L51-A54 PolarHBondContact O-N 2.93Å; L51-A55 VanDerWaalsContact O-CB 3.27Å; L51-A55 WeakPolarHBondContact O-CB 3.46Å; L51-A55 PolarHBondContact O-N 3.49Å
52	E	77.5	Confident	71.1	Confident	143 Å²	143	111 Å²	111	67%	0.668	57%	0.57	S	S	*	*	H	α-helix	trans	-68.3	-38.7	177	-162.4	174.5	-161.5	0	0	112.2	S48 A50 A55 K56	S48-E52 WeakPolarHBondContact O-CB 3.27Å; S48-E52 PolarHBondContact O-N 3.43Å; A50-E52 VanDerWaalsContact C-N 3.35Å; E52-A55 PolarHBondContact O-N 2.93Å; E52-K56 WeakPolarHBondContact O-CB 3.38Å; E52-K56 PolarHBondContact O-N 3.37Å
53	R	78.2	Confident	72	Confident	169 Å²	169	111.3 Å²	111.3	64%	0.638	57%	0.573	S	S	*	*	H	α-helix	trans	-63.9	-43.6	172	-78.9	-176.6	-71.7	152.3	-5.3	112.1	A49 A50 K56 A57	A49-R53 WeakPolarHBondContact O-CB 3.37Å; A49-R53 WeakPolarHBondContact O-CG 3.47Å; A49-R53 PolarHBondContact O-N 3.02Å; A49-R53 PolarHBondContact O-NE 2.9Å; A50-R53 PolarHBondContact O-N 2.96Å; R53-K56 PolarHBondContact O-N 2.92Å; R53-A57 WeakPolarHBondContact O-CB 3.38Å; R53-A57 PolarHBondContact O-N 2.95Å
54	A	75.6	Confident	73.1	Confident	61 Å²	61	109.5 Å²	109.5	50%	0.504	56%	0.555	S	S	.	*	H	α-helix	trans	-64.1	-41.5	176	0	0	0	0	0	111.6	A50 L51 A57 A58	A50-A54 WeakPolarHBondContact O-CB 3.35Å; A50-A54 PolarHBondContact O-N 3.38Å; L51-A54 PolarHBondContact O-N 2.93Å; A54-A57 PolarHBondContact O-N 3.15Å; A54-A58 WeakPolarHBondContact O-CB 3.29Å; A54-A58 PolarHBondContact O-N 3.21Å
55	A	75.9	Confident	74.1	Confident	43 Å²	43	108.6 Å²	108.6	36%	0.355	56%	0.555	S	S	.	*	H	α-helix	trans	-65.4	-39.5	176	0	0	0	0	0	112.3	L51 E52 A58 R59	L51-A55 VanDerWaalsContact O-CB 3.27Å; L51-A55 WeakPolarHBondContact O-CB 3.46Å; L51-A55 PolarHBondContact O-N 3.49Å; E52-A55 PolarHBondContact O-N 2.93Å; A55-A58 PolarHBondContact O-N 2.97Å; A55-R59 WeakPolarHBondContact O-CG 3.49Å; A55-R59 PolarHBondContact O-N 3.38Å
56	K	81.7	Confident	75.2	Confident	132 Å²	132	102.8 Å²	102.8	57%	0.574	54%	0.538	S	S	*	.	H	α-helix	trans	-64.9	-46.1	174.1	-173.5	178.1	175.9	-176.6	0	111.3	E52 R53 A58 R59 E60	E52-K56 WeakPolarHBondContact O-CB 3.38Å; E52-K56 PolarHBondContact O-N 3.37Å; R53-K56 PolarHBondContact O-N 2.92Å; K56-A58 VanDerWaalsContact C-N 3.31Å; K56-A58 PolarHBondContact O-N 3.47Å; K56-R59 PolarHBondContact O-N 3.07Å; K56-E60 WeakPolarHBondContact CE-OE1 3.45Å; K56-E60 WeakPolarHBondContact O-CG 3.16Å; K56-E60 PolarHBondContact O-N 3.04Å
57	A	79.3	Confident	75.9	Confident	46 Å²	46	96.3 Å²	96.3	38%	0.38	52%	0.515	S	S	.	.	H	α-helix	trans	-60.8	-39.8	175.7	0	0	0	0	0	111.9	R53 A54 E60 L61	R53-A57 WeakPolarHBondContact O-CB 3.38Å; R53-A57 PolarHBondContact O-N 2.95Å; A54-A57 PolarHBondContact O-N 3.15Å; A57-E60 PolarHBondContact O-N 3.34Å; A57-L61 WeakPolarHBondContact O-CB 3.39Å; A57-L61 PolarHBondContact O-N 2.94Å
58	A	73.3	Confident	76.3	Confident	50 Å²	50	100.4 Å²	100.4	41%	0.413	53%	0.529	S	S	.	.	H	α-helix	trans	-63.6	-42.8	175.8	0	0	0	0	0	112.3	A54 A55 K56 L61 E62	A54-A58 WeakPolarHBondContact O-CB 3.29Å; A54-A58 PolarHBondContact O-N 3.21Å; A55-A58 PolarHBondContact O-N 2.97Å; K56-A58 VanDerWaalsContact C-N 3.31Å; K56-A58 PolarHBondContact O-N 3.47Å; A58-L61 WeakPolarHBondContact O-CB 3.36Å; A58-L61 PolarHBondContact O-N 3.4Å; A58-E62 PolarHBondContact O-N 2.94Å
59	R	76.9	Confident	76.8	Confident	188 Å²	188	102.3 Å²	102.3	71%	0.709	53%	0.528	S	S	*	.	H	α-helix	trans	-64.8	-41.7	175.3	-74.8	179.8	-177.6	161.9	2.4	112.6	A55 K56 L61 E62 S63	A55-R59 WeakPolarHBondContact O-CG 3.49Å; A55-R59 PolarHBondContact O-N 3.38Å; K56-R59 PolarHBondContact O-N 3.07Å; R59-L61 VanDerWaalsContact C-N 3.31Å; R59-E62 PolarHBondContact O-N 3.5Å; R59-S63 PolarHBondContact O-N 2.92Å; R59-S63 VanDerWaalsContact O-N 3.09Å
60	E	78.5	Confident	76.9	Confident	111 Å²	111	101.9 Å²	101.9	52%	0.519	53%	0.525	S	S	.	.	H	α-helix	trans	-63.2	-40.4	175.9	-74.2	174.9	-175.3	0	0	110.9	K56 A57 S63 S64	K56-E60 WeakPolarHBondContact CE-OE1 3.45Å; K56-E60 WeakPolarHBondContact O-CG 3.16Å; K56-E60 PolarHBondContact O-N 3.04Å; A57-E60 PolarHBondContact O-N 3.34Å; E60-S63 PolarHBondContact O-N 3.34Å; E60-S63 PolarHBondContact O-OG 3.2Å; E60-S64 PolarHBondContact O-N 2.69Å
61	L	71.3	Confident	77.3	Confident	83 Å²	83	106 Å²	106	44%	0.435	54%	0.536	S	S	.	.	H	α-helix	trans	-62.1	-47.1	174	-110.2	148.4	0	0	0	112.8	A57 A58 R59 S63 S64 A67 A70	A57-L61 WeakPolarHBondContact O-CB 3.39Å; A57-L61 PolarHBondContact O-N 2.94Å; A58-L61 WeakPolarHBondContact O-CB 3.36Å; A58-L61 PolarHBondContact O-N 3.4Å; R59-L61 VanDerWaalsContact C-N 3.31Å; L61-S63 VanDerWaalsContact C-N 3.27Å; L61-S63 PolarHBondContact O-N 3.46Å; L61-S64 WeakPolarHBondContact O-CB 3.45Å; L61-S64 PolarHBondContact O-N 3.5Å; L61-S64 VanDerWaalsContact O-N 3.15Å; L61-S64 PolarHBondContact O-OG 2.88Å; L61-A67 WeakPolarHBondContact O-CB 3.37Å; L61-A70 HydrophobicContact CD2-CB 3.31Å
62	E	71.1	Confident	77.8	Confident	158 Å²	158	105.2 Å²	105.2	74%	0.738	53%	0.532	S	S	*	.	H	α-helix	trans	-61.1	-33.7	177.1	-80.1	-172.1	162	0	0	112.9	A58 R59 S64	A58-E62 PolarHBondContact O-N 2.94Å; R59-E62 PolarHBondContact O-N 3.5Å; E62-S64 VanDerWaalsContact C-N 3.28Å; E62-S64 PolarHBondContact O-N 3.1Å
63	S	76	Confident	78.2	Confident	101 Å²	101	104 Å²	104	71%	0.706	53%	0.53	S	S	*	.	H	α-helix	trans	-76.4	-13.2	178.5	74.7	0	0	0	0	114.2	R59 E60 L61	R59-S63 PolarHBondContact O-N 2.92Å; R59-S63 VanDerWaalsContact O-N 3.09Å; E60-S63 PolarHBondContact O-N 3.34Å; E60-S63 PolarHBondContact O-OG 3.2Å; L61-S63 VanDerWaalsContact C-N 3.27Å; L61-S63 PolarHBondContact O-N 3.46Å
64	S	78.1	Confident	78.4	Confident	46 Å²	46	99 Å²	99	32%	0.322	52%	0.52	S	S	.	.	S	Bend	trans	-80.5	146.1	-176.3	79.8	0	0	0	0	111.8	E60 L61 E62 H66 A67	E60-S64 PolarHBondContact O-N 2.69Å; L61-S64 WeakPolarHBondContact O-CB 3.45Å; L61-S64 PolarHBondContact O-N 3.5Å; L61-S64 VanDerWaalsContact O-N 3.15Å; L61-S64 PolarHBondContact O-OG 2.88Å; E62-S64 VanDerWaalsContact C-N 3.28Å; E62-S64 PolarHBondContact O-N 3.1Å; S64-H66 PolarHBondContact O-N 3.42Å; S64-A67 WeakPolarHBondContact O-CB 3.48Å; S64-A67 PolarHBondContact O-N 3.11Å; S64-A67 PolarHBondContact OG-N 3.5Å; S64-A67 VanDerWaalsContact OG-N 3.17Å
65	K	77.4	Confident	78.9	Confident	209 Å²	209	100.4 Å²	100.4	91%	0.909	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-19.3	173	-72	-177	178.1	179	0	113.2
66	H	78.8	Confident	79.5	Confident	111 Å²	111	104.6 Å²	104.6	51%	0.514	53%	0.527	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.4	14.3	-175.5	-58.7	-75.7	0	0	0	113.2	S64 K68 E69 A70	S64-H66 PolarHBondContact O-N 3.42Å; H66-K68 VanDerWaalsContact C-N 3.26Å; H66-K68 PolarHBondContact O-N 2.92Å; H66-E69 IonicContact CE1-OE2 3.83Å; H66-E69 IonicContact CG-OE2 3.64Å; H66-E69 IonicContact ND1-OE2 2.81Å; H66-E69 PolarHBondContact ND1-OE2 3.22Å; H66-E69 PolarHBondContact O-N 3.14Å; H66-A70 PolarHBondContact O-N 2.95Å
67	A	75.8	Confident	79.7	Confident	27 Å²	27	103.8 Å²	103.8	22%	0.223	53%	0.525	C	S	.	.	H	α-helix	trans	-50.9	-44.4	-176.8	0	0	0	0	0	113.1	L61 S64 F71	L61-A67 WeakPolarHBondContact O-CB 3.37Å; S64-A67 WeakPolarHBondContact O-CB 3.48Å; S64-A67 PolarHBondContact O-N 3.11Å; S64-A67 PolarHBondContact OG-N 3.5Å; S64-A67 VanDerWaalsContact OG-N 3.17Å; A67-F71 WeakPolarHBondContact O-CB 3.5Å; A67-F71 PolarHBondContact O-N 3.48Å
68	K	78.7	Confident	80	Confident	173 Å²	173	107.1 Å²	107.1	75%	0.752	53%	0.532	S	S	*	.	H	α-helix	trans	-65.7	-44.2	178	-70.3	-175	177.8	-178.8	0	112.5	H66 A70 F71 D72	H66-K68 VanDerWaalsContact C-N 3.26Å; H66-K68 PolarHBondContact O-N 2.92Å; K68-A70 VanDerWaalsContact C-N 3.34Å; K68-A70 PolarHBondContact O-N 3.41Å; K68-F71 PolarHBondContact O-N 2.89Å; K68-D72 WeakPolarHBondContact O-CB 3.3Å; K68-D72 PolarHBondContact O-N 3.41Å
69	E	83.7	Confident	80.6	Confident	119 Å²	119	109.7 Å²	109.7	56%	0.556	54%	0.536	S	S	*	.	H	α-helix	trans	-65.7	-39.6	180	-66.1	174.9	170.3	0	0	111.4	H66 L73	H66-E69 IonicContact CE1-OE2 3.83Å; H66-E69 IonicContact CG-OE2 3.64Å; H66-E69 IonicContact ND1-OE2 2.81Å; H66-E69 PolarHBondContact ND1-OE2 3.22Å; H66-E69 PolarHBondContact O-N 3.14Å; E69-L73 WeakPolarHBondContact O-CB 3.4Å; E69-L73 VanDerWaalsContact O-CG 3.29Å; E69-L73 WeakPolarHBondContact O-CG 3.42Å; E69-L73 PolarHBondContact O-N 3.42Å
70	A	80.5	Confident	81.1	Confident	34 Å²	34	103.9 Å²	103.9	28%	0.281	52%	0.522	S	S	.	.	H	α-helix	trans	-69.5	-37.8	177.4	0	0	0	0	0	112.5	L61 H66 K68 L73 S74	L61-A70 HydrophobicContact CD2-CB 3.31Å; H66-A70 PolarHBondContact O-N 2.95Å; K68-A70 VanDerWaalsContact C-N 3.34Å; K68-A70 PolarHBondContact O-N 3.41Å; A70-L73 PolarHBondContact O-N 3.32Å; A70-S74 PolarHBondContact O-N 2.91Å
71	F	81.6	Confident	81.4	Confident	126 Å²	126	102.3 Å²	102.3	55%	0.553	52%	0.516	S	S	*	.	H	α-helix	trans	-63.5	-48.8	172.8	-176.3	-96.6	0	0	0	111.2	A67 K68 L73 S74 Q75	A67-F71 WeakPolarHBondContact O-CB 3.5Å; A67-F71 PolarHBondContact O-N 3.48Å; K68-F71 PolarHBondContact O-N 2.89Å; F71-L73 VanDerWaalsContact C-N 3.29Å; F71-L73 PolarHBondContact O-N 3.49Å; F71-S74 PolarHBondContact O-N 3.49Å; F71-S74 VanDerWaalsContact O-N 3.1Å; F71-S74 PolarHBondContact O-OG 3.28Å; F71-Q75 PolarHBondContact O-N 3.25Å
72	D	84.3	Confident	82	Confident	80 Å²	80	103.4 Å²	103.4	43%	0.428	52%	0.519	S	S	.	.	H	α-helix	trans	-60.6	-38.1	177.2	-77.7	-3.7	0	0	0	112.1	K68 Q75 K76	K68-D72 WeakPolarHBondContact O-CB 3.3Å; K68-D72 PolarHBondContact O-N 3.41Å; D72-Q75 PolarHBondContact O-N 3.26Å; D72-K76 WeakPolarHBondContact O-CB 3.33Å; D72-K76 VanDerWaalsContact O-CG 3.3Å; D72-K76 WeakPolarHBondContact O-CG 3.48Å; D72-K76 PolarHBondContact O-N 2.87Å
73	L	85.8	Confident	82.7	Confident	118 Å²	118	102.2 Å²	102.2	62%	0.618	52%	0.515	S	S	*	.	H	α-helix	trans	-65.4	-43	173.3	-78.8	172	0	0	0	112.1	E69 A70 F71 Q75 K76 H77	E69-L73 WeakPolarHBondContact O-CB 3.4Å; E69-L73 VanDerWaalsContact O-CG 3.29Å; E69-L73 WeakPolarHBondContact O-CG 3.42Å; E69-L73 PolarHBondContact O-N 3.42Å; A70-L73 PolarHBondContact O-N 3.32Å; F71-L73 VanDerWaalsContact C-N 3.29Å; F71-L73 PolarHBondContact O-N 3.49Å; L73-Q75 VanDerWaalsContact C-N 3.33Å; L73-Q75 PolarHBondContact O-N 2.96Å; L73-K76 PolarHBondContact O-N 3.1Å; L73-H77 WeakPolarHBondContact O-CB 3.37Å; L73-H77 PolarHBondContact O-N 3.37Å
74	S	82.6	Confident	83.2	Confident	62 Å²	62	102.2 Å²	102.2	43%	0.434	50%	0.504	S	S	.	.	H	α-helix	trans	-63.4	-40.2	176	71.5	0	0	0	0	112	A70 F71 H77 E78	A70-S74 PolarHBondContact O-N 2.91Å; F71-S74 PolarHBondContact O-N 3.49Å; F71-S74 VanDerWaalsContact O-N 3.1Å; F71-S74 PolarHBondContact O-OG 3.28Å; S74-H77 PolarHBondContact O-N 2.93Å; S74-E78 WeakPolarHBondContact O-CB 3.4Å; S74-E78 PolarHBondContact O-N 3.47Å
75	Q	85.7	Confident	83.5	Confident	91 Å²	91	103.7 Å²	103.7	43%	0.425	50%	0.503	S	S	.	.	H	α-helix	trans	-66.8	-43.9	178.2	-169.8	-177.1	41.4	0	0	110.9	F71 D72 L73 H77 E78 Q79	F71-Q75 PolarHBondContact O-N 3.25Å; D72-Q75 PolarHBondContact O-N 3.26Å; L73-Q75 VanDerWaalsContact C-N 3.33Å; L73-Q75 PolarHBondContact O-N 2.96Å; Q75-H77 VanDerWaalsContact C-N 3.32Å; Q75-H77 PolarHBondContact O-N 3.36Å; Q75-E78 PolarHBondContact O-N 2.95Å; Q75-Q79 WeakPolarHBondContact O-CB 3.34Å; Q75-Q79 WeakPolarHBondContact O-CG 3.35Å; Q75-Q79 PolarHBondContact O-N 2.67Å
76	K	88	Confident	83.9	Confident	131 Å²	131	99.2 Å²	99.2	57%	0.57	49%	0.485	S	S	*	.	H	α-helix	trans	-61.4	-40.7	173.3	-76.2	174	-177.3	170.8	0	111.7	D72 L73 Q79 T80	D72-K76 WeakPolarHBondContact O-CB 3.33Å; D72-K76 VanDerWaalsContact O-CG 3.3Å; D72-K76 WeakPolarHBondContact O-CG 3.48Å; D72-K76 PolarHBondContact O-N 2.87Å; L73-K76 PolarHBondContact O-N 3.1Å; K76-Q79 PolarHBondContact O-N 2.82Å; K76-T80 PolarHBondContact O-N 3.11Å; K76-T80 PolarHBondContact O-OG1 2.95Å
77	H	87.2	Confident	84.2	Confident	115 Å²	115	96.4 Å²	96.4	53%	0.532	48%	0.478	S	S	.	.	H	α-helix	trans	-65	-43.6	178.3	-169.9	52.6	0	0	0	112	L73 S74 Q75 T80 L81	L73-H77 WeakPolarHBondContact O-CB 3.37Å; L73-H77 PolarHBondContact O-N 3.37Å; S74-H77 PolarHBondContact O-N 2.93Å; Q75-H77 VanDerWaalsContact C-N 3.32Å; Q75-H77 PolarHBondContact O-N 3.36Å; H77-T80 VanDerWaalsContact C-OG1 3.29Å; H77-T80 VanDerWaalsContact CA-OG1 3.27Å; H77-T80 WeakPolarHBondContact CA-OG1 3.27Å; H77-T80 PolarHBondContact O-N 2.85Å; H77-T80 PolarHBondContact O-OG1 3.13Å; H77-L81 WeakPolarHBondContact O-CG 3.41Å; H77-L81 PolarHBondContact O-N 3.35Å
78	E	84.1	Confident	84.6	Confident	116 Å²	116	100.2 Å²	100.2	54%	0.542	49%	0.49	S	S	.	.	H	α-helix	trans	-64.3	-41	175.9	-166.9	177.3	174.6	0	0	111.8	S74 Q75 T80 L81 Q82	S74-E78 WeakPolarHBondContact O-CB 3.4Å; S74-E78 PolarHBondContact O-N 3.47Å; Q75-E78 PolarHBondContact O-N 2.95Å; E78-T80 PolarHBondContact O-N 2.89Å; E78-L81 PolarHBondContact O-N 2.85Å; E78-Q82 WeakPolarHBondContact O-CG 3.18Å; E78-Q82 PolarHBondContact O-N 3.27Å
79	Q	86.2	Confident	84.7	Confident	104 Å²	104	94.8 Å²	94.8	49%	0.486	47%	0.468	S	S	.	.	H	α-helix	trans	-61.5	-41.6	172.8	-74.7	177.7	-0.6	0	0	112.3	Q75 K76 Q82 M83	Q75-Q79 WeakPolarHBondContact O-CB 3.34Å; Q75-Q79 WeakPolarHBondContact O-CG 3.35Å; Q75-Q79 PolarHBondContact O-N 2.67Å; K76-Q79 PolarHBondContact O-N 2.82Å; Q79-Q82 PolarHBondContact O-N 3.47Å; Q79-M83 WeakPolarHBondContact O-CG 3.39Å; Q79-M83 PolarHBondContact O-N 3.04Å
80	T	88	Confident	84.8	Confident	67 Å²	67	95.5 Å²	95.5	41%	0.411	47%	0.469	S	S	.	.	H	α-helix	trans	-63.6	-41.6	174.9	45.6	0	0	0	0	112	K76 H77 E78 Q82 M83 E84	K76-T80 PolarHBondContact O-N 3.11Å; K76-T80 PolarHBondContact O-OG1 2.95Å; H77-T80 VanDerWaalsContact C-OG1 3.29Å; H77-T80 VanDerWaalsContact CA-OG1 3.27Å; H77-T80 WeakPolarHBondContact CA-OG1 3.27Å; H77-T80 PolarHBondContact O-N 2.85Å; H77-T80 PolarHBondContact O-OG1 3.13Å; E78-T80 PolarHBondContact O-N 2.89Å; T80-Q82 PolarHBondContact O-N 2.91Å; T80-M83 PolarHBondContact O-N 3.16Å; T80-E84 WeakPolarHBondContact O-CG 3.39Å; T80-E84 PolarHBondContact O-N 3.01Å
81	L	85.7	Confident	84.9	Confident	78 Å²	78	100 Å²	100	41%	0.408	48%	0.484	S	S	.	.	H	α-helix	trans	-64	-39.8	176.3	-72.5	170.3	0	0	0	111.9	H77 E78 E84 Y85	H77-L81 WeakPolarHBondContact O-CG 3.41Å; H77-L81 PolarHBondContact O-N 3.35Å; E78-L81 PolarHBondContact O-N 2.85Å; L81-E84 PolarHBondContact O-N 2.92Å; L81-Y85 WeakPolarHBondContact O-CB 3.43Å; L81-Y85 PolarHBondContact O-N 3.47Å
82	Q	83.8	Confident	84.8	Confident	105 Å²	105	96.7 Å²	96.7	49%	0.491	47%	0.468	S	S	.	.	H	α-helix	trans	-64.9	-41.5	174.9	-72.6	179.1	13.3	0	0	111.8	E78 Q79 T80 Y85 Q86	E78-Q82 WeakPolarHBondContact O-CG 3.18Å; E78-Q82 PolarHBondContact O-N 3.27Å; Q79-Q82 PolarHBondContact O-N 3.47Å; T80-Q82 PolarHBondContact O-N 2.91Å; Q82-Y85 PolarHBondContact O-N 3.35Å; Q82-Q86 WeakPolarHBondContact O-CG 3.3Å; Q82-Q86 PolarHBondContact O-N 3.48Å
83	M	85.8	Confident	84.8	Confident	133 Å²	133	98.1 Å²	98.1	66%	0.655	47%	0.473	S	S	*	.	H	α-helix	trans	-66.4	-41.2	176	-72.2	-131.1	-65.6	0	0	112.5	Q79 T80 Y85 Q86 S87	Q79-M83 WeakPolarHBondContact O-CG 3.39Å; Q79-M83 PolarHBondContact O-N 3.04Å; T80-M83 PolarHBondContact O-N 3.16Å; M83-Y85 VanDerWaalsContact C-N 3.33Å; M83-Q86 PolarHBondContact O-N 2.9Å; M83-S87 PolarHBondContact O-N 3.03Å
84	E	86.3	Confident	84.8	Confident	101 Å²	101	97.2 Å²	97.2	47%	0.472	47%	0.468	S	S	.	.	H	α-helix	trans	-63.9	-37.3	173.8	-75.2	-178.3	-172.7	0	0	112.3	T80 L81 S87 K88	T80-E84 WeakPolarHBondContact O-CG 3.39Å; T80-E84 PolarHBondContact O-N 3.01Å; L81-E84 PolarHBondContact O-N 2.92Å; E84-S87 PolarHBondContact O-N 3.24Å; E84-S87 PolarHBondContact O-OG 3.42Å; E84-K88 WeakPolarHBondContact O-CB 3.47Å; E84-K88 VanDerWaalsContact O-CG 3.3Å; E84-K88 WeakPolarHBondContact O-CG 3.38Å; E84-K88 PolarHBondContact O-N 2.9Å
85	Y	84	Confident	85	Confident	78 Å²	78	95.5 Å²	95.5	31%	0.306	46%	0.46	S	S	.	.	H	α-helix	trans	-65.7	-45.2	174.9	-172.1	-94.4	0	0	0	111.2	P25 L81 Q82 M83 S87 K88 M89	P25-Y85 HydrophobicContact CB-CD2 3.85Å; P25-Y85 HydrophobicContact CB-CE2 3.52Å; P25-Y85 HydrophobicContact CG-CD2 4.22Å; P25-Y85 HydrophobicContact CG-CE2 3.73Å; P25-Y85 WeakPolarHBondContact O-CE2 3.13Å; P25-Y85 PolarHBondContact O-OH 3.46Å; L81-Y85 WeakPolarHBondContact O-CB 3.43Å; L81-Y85 PolarHBondContact O-N 3.47Å; Q82-Y85 PolarHBondContact O-N 3.35Å; M83-Y85 VanDerWaalsContact C-N 3.33Å; Y85-S87 VanDerWaalsContact C-N 3.34Å; Y85-S87 PolarHBondContact O-N 3.31Å; Y85-K88 PolarHBondContact O-N 2.94Å; Y85-M89 HydrophobicContact CD1-CG 4.03Å; Y85-M89 HydrophobicContact CE1-CG 3.67Å; Y85-M89 HydrophobicContact CE1-SD 4.28Å; Y85-M89 WeakPolarHBondContact O-CG 3.4Å; Y85-M89 PolarHBondContact O-N 3.45Å
86	Q	84.6	Confident	84.8	Confident	114 Å²	114	94.3 Å²	94.3	53%	0.533	46%	0.456	S	S	.	.	H	α-helix	trans	-63.5	-37.9	175.5	-73.9	-179.3	6	0	0	112.4	Q82 M83 M89 K90	Q82-Q86 WeakPolarHBondContact O-CG 3.3Å; Q82-Q86 PolarHBondContact O-N 3.48Å; M83-Q86 PolarHBondContact O-N 2.9Å; Q86-M89 PolarHBondContact O-N 2.97Å; Q86-K90 WeakPolarHBondContact O-CG 3.46Å; Q86-K90 PolarHBondContact O-N 3.49Å
87	S	85.8	Confident	84.6	Confident	53 Å²	53	93.7 Å²	93.7	37%	0.371	46%	0.455	S	S	.	.	H	α-helix	trans	-65.1	-45.2	176	75.2	0	0	0	0	111	M83 E84 Y85 M89 K90 E91	M83-S87 PolarHBondContact O-N 3.03Å; E84-S87 PolarHBondContact O-N 3.24Å; E84-S87 PolarHBondContact O-OG 3.42Å; Y85-S87 VanDerWaalsContact C-N 3.34Å; Y85-S87 PolarHBondContact O-N 3.31Å; S87-M89 PolarHBondContact O-N 3.42Å; S87-K90 PolarHBondContact O-N 2.99Å; S87-E91 WeakPolarHBondContact O-CG 3.4Å; S87-E91 PolarHBondContact O-N 3.47Å
88	K	84.6	Confident	84.5	Confident	106 Å²	106	94 Å²	94	46%	0.461	46%	0.457	S	S	.	.	H	α-helix	trans	-62.5	-39.3	175.8	-73.4	173.5	-176	169.6	0	112.8	P25 E84 Y85 E91 Y92	P25-K88 HydrophobicContact CB-CB 4.1Å; P25-K88 HydrophobicContact CB-CD 4.45Å; P25-K88 HydrophobicContact CG-CB 4.12Å; E84-K88 WeakPolarHBondContact O-CB 3.47Å; E84-K88 VanDerWaalsContact O-CG 3.3Å; E84-K88 WeakPolarHBondContact O-CG 3.38Å; E84-K88 PolarHBondContact O-N 2.9Å; Y85-K88 PolarHBondContact O-N 2.94Å; K88-E91 PolarHBondContact O-N 3.39Å; K88-Y92 WeakPolarHBondContact O-CB 3.42Å; K88-Y92 PolarHBondContact O-N 2.98Å
89	M	80.8	Confident	84.3	Confident	60 Å²	60	91.5 Å²	91.5	30%	0.296	45%	0.447	S	S	.	.	H	α-helix	trans	-62.3	-44.7	174.6	-78.1	-63.5	-63.6	0	0	111.7	P25 Y85 Q86 S87 Y92 E93	P25-M89 HydrophobicContact CG-CG 3.71Å; P25-M89 HydrophobicContact CG-SD 3.4Å; P25-M89 WeakPolarHBondContact CG-SD 3.4Å; Y85-M89 HydrophobicContact CD1-CG 4.03Å; Y85-M89 HydrophobicContact CE1-CG 3.67Å; Y85-M89 HydrophobicContact CE1-SD 4.28Å; Y85-M89 WeakPolarHBondContact O-CG 3.4Å; Y85-M89 PolarHBondContact O-N 3.45Å; Q86-M89 PolarHBondContact O-N 2.97Å; S87-M89 PolarHBondContact O-N 3.42Å; M89-Y92 WeakPolarHBondContact O-CB 3.43Å; M89-Y92 PolarHBondContact O-N 3.2Å; M89-E93 WeakPolarHBondContact O-CG 3.27Å; M89-E93 PolarHBondContact O-N 3.37Å
90	K	84.9	Confident	84.3	Confident	134 Å²	134	93.1 Å²	93.1	58%	0.583	45%	0.452	S	S	*	.	H	α-helix	trans	-65.8	-39.3	176.4	-73.9	-178.9	179.9	178	0	112.6	Q86 S87 Y92 E93 L94	Q86-K90 WeakPolarHBondContact O-CG 3.46Å; Q86-K90 PolarHBondContact O-N 3.49Å; S87-K90 PolarHBondContact O-N 2.99Å; K90-Y92 VanDerWaalsContact C-N 3.31Å; K90-Y92 PolarHBondContact O-N 3.2Å; K90-E93 PolarHBondContact O-N 2.97Å; K90-L94 WeakPolarHBondContact O-CB 3.18Å; K90-L94 VanDerWaalsContact O-CG 3.27Å; K90-L94 WeakPolarHBondContact O-CG 3.22Å; K90-L94 PolarHBondContact O-N 2.95Å
91	E	83.3	Confident	84.1	Confident	127 Å²	127	94.1 Å²	94.1	59%	0.593	45%	0.454	S	S	*	.	H	α-helix	trans	-60.9	-41.5	174	-75.8	173.2	-177.2	0	0	111.6	S87 K88 L94 G95	S87-E91 WeakPolarHBondContact O-CG 3.4Å; S87-E91 PolarHBondContact O-N 3.47Å; K88-E91 PolarHBondContact O-N 3.39Å; E91-L94 PolarHBondContact O-N 3.09Å; E91-G95 PolarHBondContact O-N 2.92Å
92	Y	79.8	Confident	84	Confident	57 Å²	57	96.5 Å²	96.5	22%	0.224	46%	0.463	C	S	.	.	H	α-helix	trans	-64.1	-45.8	175.2	-178.8	-95.3	0	0	0	112.3	V21 P22 K88 M89 K90 G95 L96	V21-Y92 HydrophobicContact CG1-CD2 4.08Å; V21-Y92 HydrophobicContact CG1-CE2 3.39Å; P22-Y92 HydrophobicContact CG-CD2 4.48Å; P22-Y92 WeakPolarHBondContact O-CD2 3.37Å; P22-Y92 WeakPolarHBondContact O-CE2 3.44Å; K88-Y92 WeakPolarHBondContact O-CB 3.42Å; K88-Y92 PolarHBondContact O-N 2.98Å; M89-Y92 WeakPolarHBondContact O-CB 3.43Å; M89-Y92 PolarHBondContact O-N 3.2Å; K90-Y92 VanDerWaalsContact C-N 3.31Å; K90-Y92 PolarHBondContact O-N 3.2Å; Y92-G95 PolarHBondContact O-N 3.1Å; Y92-L96 HydrophobicContact CD1-CD1 4.01Å; Y92-L96 HydrophobicContact CD1-CG 4.44Å; Y92-L96 HydrophobicContact CE1-CD1 3.44Å; Y92-L96 VanDerWaalsContact CE1-CD1 3.44Å; Y92-L96 HydrophobicContact CE1-CG 4.05Å; Y92-L96 PolarHBondContact O-N 3.45Å
93	E	84.9	Confident	83.8	Confident	111 Å²	111	96.9 Å²	96.9	52%	0.519	47%	0.465	S	S	.	.	H	α-helix	trans	-60.1	-44.9	175.3	-75	176.4	175.1	0	0	112	M89 K90 G95 L96 E97	M89-E93 WeakPolarHBondContact O-CG 3.27Å; M89-E93 PolarHBondContact O-N 3.37Å; K90-E93 PolarHBondContact O-N 2.97Å; E93-G95 VanDerWaalsContact C-N 3.3Å; E93-G95 PolarHBondContact O-N 3.38Å; E93-L96 PolarHBondContact O-N 2.95Å; E93-E97 PolarHBondContact O-N 3.45Å
94	L	85.1	Confident	83.8	Confident	98 Å²	98	97.3 Å²	97.3	51%	0.513	46%	0.46	S	S	.	.	H	α-helix	trans	-59.9	-40.6	174.5	-74.7	172.2	0	0	0	111.6	K90 E91 E97 Q98	K90-L94 WeakPolarHBondContact O-CB 3.18Å; K90-L94 VanDerWaalsContact O-CG 3.27Å; K90-L94 WeakPolarHBondContact O-CG 3.22Å; K90-L94 PolarHBondContact O-N 2.95Å; E91-L94 PolarHBondContact O-N 3.09Å; L94-E97 PolarHBondContact O-N 3.24Å; L94-Q98 WeakPolarHBondContact O-CG 3.34Å; L94-Q98 PolarHBondContact O-N 2.94Å
95	G	86.2	Confident	83.8	Confident	26 Å²	26	100.5 Å²	100.5	27%	0.268	47%	0.468	S	S	.	.	H	α-helix	trans	-60.1	-45.1	174.3	0	0	0	0	0	112.5	E91 Y92 E93 Q98 I99	E91-G95 PolarHBondContact O-N 2.92Å; Y92-G95 PolarHBondContact O-N 3.1Å; E93-G95 VanDerWaalsContact C-N 3.3Å; E93-G95 PolarHBondContact O-N 3.38Å; G95-Q98 PolarHBondContact O-N 3.45Å; G95-I99 WeakPolarHBondContact O-CG1 3.33Å; G95-I99 PolarHBondContact O-N 2.96Å; G95-I99 VanDerWaalsContact O-N 3.09Å
96	L	82.1	Confident	83.9	Confident	66 Å²	66	98.8 Å²	98.8	35%	0.346	47%	0.47	S	S	.	.	H	α-helix	trans	-64.2	-41	176.6	-72	179.7	0	0	0	112.8	Y92 E93 I99 K100	Y92-L96 HydrophobicContact CD1-CD1 4.01Å; Y92-L96 HydrophobicContact CD1-CG 4.44Å; Y92-L96 HydrophobicContact CE1-CD1 3.44Å; Y92-L96 VanDerWaalsContact CE1-CD1 3.44Å; Y92-L96 HydrophobicContact CE1-CG 4.05Å; Y92-L96 PolarHBondContact O-N 3.45Å; E93-L96 PolarHBondContact O-N 2.95Å; L96-I99 PolarHBondContact O-N 3.42Å; L96-K100 WeakPolarHBondContact O-CG 3.33Å; L96-K100 PolarHBondContact O-N 3.5Å; L96-K100 VanDerWaalsContact O-N 3.1Å
97	E	83.9	Confident	84	Confident	118 Å²	118	98.4 Å²	98.4	55%	0.551	47%	0.468	S	S	*	.	H	α-helix	trans	-65.6	-40.7	176.2	-75.1	-164.6	155	0	0	112.4	E93 L94 I99 K100 I101	E93-E97 PolarHBondContact O-N 3.45Å; L94-E97 PolarHBondContact O-N 3.24Å; E97-I99 VanDerWaalsContact C-N 3.34Å; E97-I99 PolarHBondContact O-N 3.2Å; E97-K100 PolarHBondContact O-N 2.9Å; E97-I101 WeakPolarHBondContact O-CG1 3.46Å; E97-I101 PolarHBondContact O-N 3.26Å
98	Q	83.9	Confident	84	Confident	121 Å²	121	99.7 Å²	99.7	57%	0.565	47%	0.468	S	S	*	.	H	α-helix	trans	-61.3	-42.2	175.8	-75.6	-178.9	4.3	0	0	111.9	L94 G95 K100 I101 Q102	L94-Q98 WeakPolarHBondContact O-CG 3.34Å; L94-Q98 PolarHBondContact O-N 2.94Å; G95-Q98 PolarHBondContact O-N 3.45Å; Q98-K100 PolarHBondContact O-N 3.12Å; Q98-I101 PolarHBondContact O-N 3.01Å; Q98-Q102 WeakPolarHBondContact O-CG 3.38Å; Q98-Q102 PolarHBondContact O-N 3.5Å
99	I	81.3	Confident	84	Confident	64 Å²	64	99.6 Å²	99.6	33%	0.328	47%	0.469	S	S	.	.	H	α-helix	trans	-62.3	-43.4	176	-67.9	166.5	0	0	0	110.7	V21 G95 L96 E97 I101 Q102 Q103	V21-I99 HydrophobicContact CG2-CD1 3.94Å; G95-I99 WeakPolarHBondContact O-CG1 3.33Å; G95-I99 PolarHBondContact O-N 2.96Å; G95-I99 VanDerWaalsContact O-N 3.09Å; L96-I99 PolarHBondContact O-N 3.42Å; E97-I99 VanDerWaalsContact C-N 3.34Å; E97-I99 PolarHBondContact O-N 3.2Å; I99-I101 PolarHBondContact O-N 3.36Å; I99-Q102 PolarHBondContact O-N 3.14Å; I99-Q103 HydrophobicContact CG2-CG 4.49Å; I99-Q103 WeakPolarHBondContact O-CG 3.31Å; I99-Q103 PolarHBondContact O-N 3.29Å
100	K	85	Confident	84.3	Confident	138 Å²	138	102.3 Å²	102.3	60%	0.6	48%	0.481	S	S	*	.	H	α-helix	trans	-60.8	-42.5	175.8	-73.4	175.6	-176.8	173.3	0	112.2	L96 E97 Q98 Q103 Y104	L96-K100 WeakPolarHBondContact O-CG 3.33Å; L96-K100 PolarHBondContact O-N 3.5Å; L96-K100 VanDerWaalsContact O-N 3.1Å; E97-K100 PolarHBondContact O-N 2.9Å; Q98-K100 PolarHBondContact O-N 3.12Å; K100-Q103 PolarHBondContact O-N 3.47Å; K100-Y104 WeakPolarHBondContact O-CB 3.41Å; K100-Y104 PolarHBondContact O-N 3.42Å
101	I	85.1	Confident	84.3	Confident	89 Å²	89	103.1 Å²	103.1	46%	0.456	48%	0.481	S	S	.	.	H	α-helix	trans	-63.6	-42.7	177.1	-68.6	167	0	0	0	110.6	E97 Q98 I99 Y104 R105	E97-I101 WeakPolarHBondContact O-CG1 3.46Å; E97-I101 PolarHBondContact O-N 3.26Å; Q98-I101 PolarHBondContact O-N 3.01Å; I99-I101 PolarHBondContact O-N 3.36Å; I101-Y104 PolarHBondContact O-N 3.48Å; I101-R105 WeakPolarHBondContact O-CB 3.47Å; I101-R105 WeakPolarHBondContact O-CG 3.4Å; I101-R105 PolarHBondContact O-N 3.49Å
102	Q	82.8	Confident	84.5	Confident	128 Å²	128	104.1 Å²	104.1	60%	0.598	48%	0.479	S	S	*	.	H	α-helix	trans	-64.1	-44.1	177	-73.2	-179.6	3	0	0	112	Q98 I99 Y104 R105 A106	Q98-Q102 WeakPolarHBondContact O-CG 3.38Å; Q98-Q102 PolarHBondContact O-N 3.5Å; I99-Q102 PolarHBondContact O-N 3.14Å; Q102-Y104 PolarHBondContact O-N 2.91Å; Q102-R105 PolarHBondContact O-N 2.96Å; Q102-A106 WeakPolarHBondContact O-CB 3.46Å; Q102-A106 PolarHBondContact O-N 3.29Å
103	Q	80	Confident	85	Confident	112 Å²	112	107 Å²	107	52%	0.523	49%	0.493	S	S	.	.	H	α-helix	trans	-60	-44.8	175.1	-75.4	-178.6	-15.3	0	0	112	I99 K100 R105 A106 Q107	I99-Q103 HydrophobicContact CG2-CG 4.49Å; I99-Q103 WeakPolarHBondContact O-CG 3.31Å; I99-Q103 PolarHBondContact O-N 3.29Å; K100-Q103 PolarHBondContact O-N 3.47Å; Q103-R105 PolarHBondContact O-N 2.96Å; Q103-A106 PolarHBondContact O-N 3.29Å; Q103-Q107 WeakPolarHBondContact O-CG 3.49Å; Q103-Q107 PolarHBondContact O-N 3.04Å
104	Y	85.8	Confident	85.2	Confident	143 Å²	143	105.1 Å²	105.1	56%	0.561	49%	0.489	S	S	*	.	H	α-helix	trans	-64.2	-40.9	177.8	-172.6	-99.7	0	0	0	112.1	K100 I101 Q102 Q107 Q108	K100-Y104 WeakPolarHBondContact O-CB 3.41Å; K100-Y104 PolarHBondContact O-N 3.42Å; I101-Y104 PolarHBondContact O-N 3.48Å; Q102-Y104 PolarHBondContact O-N 2.91Å; Y104-Q107 PolarHBondContact O-N 3.18Å; Y104-Q108 HydrophobicContact CD1-CG 4.17Å; Y104-Q108 HydrophobicContact CE1-CG 3.81Å; Y104-Q108 WeakPolarHBondContact O-CB 3.49Å; Y104-Q108 VanDerWaalsContact O-CG 3.31Å; Y104-Q108 WeakPolarHBondContact O-CG 3.33Å; Y104-Q108 PolarHBondContact O-N 3.38Å; Y104-Q108 PolarHBondContact OH-NE2 3.01Å; Y104-Q108 VanDerWaalsContact OH-NE2 3.12Å
105	R	86	Confident	85.3	Confident	167 Å²	167	105.7 Å²	105.7	63%	0.63	49%	0.492	S	S	*	.	H	α-helix	trans	-62.2	-46	174.5	-75.3	178.5	-178.8	-178	2.1	111.8	I101 Q102 Q103 Q107 Q108 E109	I101-R105 WeakPolarHBondContact O-CB 3.47Å; I101-R105 WeakPolarHBondContact O-CG 3.4Å; I101-R105 PolarHBondContact O-N 3.49Å; Q102-R105 PolarHBondContact O-N 2.96Å; Q103-R105 PolarHBondContact O-N 2.96Å; R105-Q107 PolarHBondContact O-N 3.31Å; R105-Q108 PolarHBondContact O-N 3.01Å; R105-E109 WeakPolarHBondContact O-CG 3.46Å; R105-E109 PolarHBondContact O-N 3.39Å
106	A	86	Confident	85.5	Confident	42 Å²	42	108.7 Å²	108.7	35%	0.347	50%	0.499	S	S	.	.	H	α-helix	trans	-59.9	-45.1	177.9	0	0	0	0	0	111.9	Q102 Q103 Q108 E109 E110	Q102-A106 WeakPolarHBondContact O-CB 3.46Å; Q102-A106 PolarHBondContact O-N 3.29Å; Q103-A106 PolarHBondContact O-N 3.29Å; A106-Q108 PolarHBondContact O-N 3.11Å; A106-E109 PolarHBondContact O-N 3.39Å; A106-E110 PolarHBondContact O-N 3.27Å
107	Q	86.3	Confident	85.8	Confident	107 Å²	107	111.4 Å²	111.4	50%	0.5	51%	0.51	S	S	.	.	H	α-helix	trans	-63.8	-39	176.9	-72.7	179.6	2.7	0	0	113	Q103 Y104 R105 E110 R111	Q103-Q107 WeakPolarHBondContact O-CG 3.49Å; Q103-Q107 PolarHBondContact O-N 3.04Å; Y104-Q107 PolarHBondContact O-N 3.18Å; R105-Q107 PolarHBondContact O-N 3.31Å; Q107-E110 PolarHBondContact O-N 3.46Å; Q107-R111 WeakPolarHBondContact O-CG 3.48Å; Q107-R111 PolarHBondContact O-N 3.46Å
108	Q	85.8	Confident	86.1	Confident	79 Å²	79	111.1 Å²	111.1	37%	0.369	51%	0.509	S	S	.	.	H	α-helix	trans	-67.5	-39	176.6	-74.4	-70.2	-17.9	0	0	111.8	Y104 R105 A106 R111 R112	Y104-Q108 HydrophobicContact CD1-CG 4.17Å; Y104-Q108 HydrophobicContact CE1-CG 3.81Å; Y104-Q108 WeakPolarHBondContact O-CB 3.49Å; Y104-Q108 VanDerWaalsContact O-CG 3.31Å; Y104-Q108 WeakPolarHBondContact O-CG 3.33Å; Y104-Q108 PolarHBondContact O-N 3.38Å; Y104-Q108 PolarHBondContact OH-NE2 3.01Å; Y104-Q108 VanDerWaalsContact OH-NE2 3.12Å; R105-Q108 PolarHBondContact O-N 3.01Å; A106-Q108 PolarHBondContact O-N 3.11Å; Q108-R111 PolarHBondContact O-N 3.2Å; Q108-R112 WeakPolarHBondContact O-CB 3.33Å; Q108-R112 PolarHBondContact O-N 3Å
109	E	85.8	Confident	86.4	Confident	104 Å²	104	108 Å²	108	49%	0.486	50%	0.504	S	S	.	.	H	α-helix	trans	-64.9	-41.3	174.6	-75.5	-175.3	-176.5	0	0	112.5	R105 A106 R112 K113	R105-E109 WeakPolarHBondContact O-CG 3.46Å; R105-E109 PolarHBondContact O-N 3.39Å; A106-E109 PolarHBondContact O-N 3.39Å; E109-R112 PolarHBondContact O-N 3.24Å; E109-K113 WeakPolarHBondContact O-CG 3.45Å; E109-K113 PolarHBondContact O-N 2.92Å
110	E	85.4	Confident	86.9	Confident	117 Å²	117	111 Å²	111	55%	0.547	51%	0.514	S	S	.	.	H	α-helix	trans	-63	-46.4	174.3	-73.8	-172.5	164.5	0	0	111.8	A106 Q107 R112 K113 T114	A106-E110 PolarHBondContact O-N 3.27Å; Q107-E110 PolarHBondContact O-N 3.46Å; E110-R112 VanDerWaalsContact C-N 3.33Å; E110-R112 PolarHBondContact O-N 3.43Å; E110-K113 PolarHBondContact O-N 3.46Å; E110-T114 WeakPolarHBondContact O-CG2 3.48Å; E110-T114 PolarHBondContact O-N 2.98Å; E110-T114 PolarHBondContact O-OG1 2.96Å
111	R	86.1	Confident	87.1	Confident	151 Å²	151	108.3 Å²	108.3	57%	0.57	51%	0.505	S	S	*	.	H	α-helix	trans	-58.4	-43.7	174.8	-77.5	-177.8	-178.7	168.6	2.3	112.1	Q107 Q108 K113 T114 L115	Q107-R111 WeakPolarHBondContact O-CG 3.48Å; Q107-R111 PolarHBondContact O-N 3.46Å; Q108-R111 PolarHBondContact O-N 3.2Å; R111-K113 VanDerWaalsContact C-N 3.35Å; R111-K113 PolarHBondContact O-N 2.73Å; R111-T114 WeakPolarHBondContact CA-OG1 3.44Å; R111-T114 PolarHBondContact O-N 3.5Å; R111-T114 PolarHBondContact O-OG1 3.37Å; R111-L115 WeakPolarHBondContact O-CG 3.36Å; R111-L115 PolarHBondContact O-N 3.02Å
112	R	86.7	Confident	87.4	Confident	149 Å²	149	110.4 Å²	110.4	56%	0.562	51%	0.514	S	S	*	.	H	α-helix	trans	-61	-44.1	177.5	-163	-177.4	79.1	-157.1	-5.4	111.4	Q108 E109 E110 T114 L115 E116	Q108-R112 WeakPolarHBondContact O-CB 3.33Å; Q108-R112 PolarHBondContact O-N 3Å; E109-R112 PolarHBondContact O-N 3.24Å; E110-R112 VanDerWaalsContact C-N 3.33Å; E110-R112 PolarHBondContact O-N 3.43Å; R112-T114 PolarHBondContact O-N 3.35Å; R112-L115 PolarHBondContact O-N 3.48Å; R112-E116 IonicContact NE-OE1 3.24Å; R112-E116 PolarHBondContact NE-OE1 3.26Å; R112-E116 WeakPolarHBondContact O-CB 3.45Å; R112-E116 WeakPolarHBondContact O-CG 3.47Å; R112-E116 PolarHBondContact O-N 3.27Å
113	K	89.9	Confident	87.8	Confident	116 Å²	116	111 Å²	111	50%	0.504	51%	0.514	S	S	.	.	H	α-helix	trans	-60	-44.5	175.9	-72.2	171.3	-175.7	171.9	0	111.7	E109 E110 R111 E116 E117	E109-K113 WeakPolarHBondContact O-CG 3.45Å; E109-K113 PolarHBondContact O-N 2.92Å; E110-K113 PolarHBondContact O-N 3.46Å; R111-K113 VanDerWaalsContact C-N 3.35Å; R111-K113 PolarHBondContact O-N 2.73Å; K113-E116 PolarHBondContact O-N 3.02Å; K113-E117 WeakPolarHBondContact O-CG 3.5Å; K113-E117 PolarHBondContact O-N 3.49Å
114	T	89.4	Confident	88.4	Confident	73 Å²	73	112.1 Å²	112.1	45%	0.448	52%	0.519	S	S	.	.	H	α-helix	trans	-63.1	-43.2	177.9	57.7	0	0	0	0	112.8	E110 R111 R112 E116 E117 E118	E110-T114 WeakPolarHBondContact O-CG2 3.48Å; E110-T114 PolarHBondContact O-N 2.98Å; E110-T114 PolarHBondContact O-OG1 2.96Å; R111-T114 WeakPolarHBondContact CA-OG1 3.44Å; R111-T114 PolarHBondContact O-N 3.5Å; R111-T114 PolarHBondContact O-OG1 3.37Å; R112-T114 PolarHBondContact O-N 3.35Å; T114-E116 PolarHBondContact O-N 3.46Å; T114-E117 PolarHBondContact O-N 3.47Å; T114-E118 WeakPolarHBondContact O-CG 3.47Å; T114-E118 PolarHBondContact O-N 3.24Å
115	L	88.7	Confident	88.7	Confident	110 Å²	110	113.5 Å²	113.5	58%	0.576	52%	0.523	S	S	*	.	H	α-helix	trans	-66.2	-37.9	177.4	-70.9	172	0	0	0	112.3	R111 R112 A119	R111-L115 WeakPolarHBondContact O-CG 3.36Å; R111-L115 PolarHBondContact O-N 3.02Å; R112-L115 PolarHBondContact O-N 3.48Å; L115-A119 VanDerWaalsContact O-CB 3.26Å; L115-A119 WeakPolarHBondContact O-CB 3.29Å; L115-A119 PolarHBondContact O-N 3.47Å
116	E	89.5	Confident	88.9	Confident	88 Å²	88	108 Å²	108	41%	0.411	51%	0.514	S	S	.	.	H	α-helix	trans	-64.9	-38.9	174.9	-76.4	176	-157.6	0	0	112.1	R112 K113 T114 K120	R112-E116 IonicContact NE-OE1 3.24Å; R112-E116 PolarHBondContact NE-OE1 3.26Å; R112-E116 WeakPolarHBondContact O-CB 3.45Å; R112-E116 WeakPolarHBondContact O-CG 3.47Å; R112-E116 PolarHBondContact O-N 3.27Å; K113-E116 PolarHBondContact O-N 3.02Å; T114-E116 PolarHBondContact O-N 3.46Å; E116-K120 WeakPolarHBondContact O-CB 3.46Å; E116-K120 VanDerWaalsContact O-CG 3.29Å; E116-K120 WeakPolarHBondContact O-CG 3.36Å; E116-K120 PolarHBondContact O-N 2.96Å
117	E	88.8	Confident	89.1	Confident	123 Å²	123	110.4 Å²	110.4	58%	0.575	52%	0.521	S	S	*	.	H	α-helix	trans	-67.9	-44.6	175.1	-74.8	-177.4	176.3	0	0	112.1	K113 T114 A119 K120 I121	K113-E117 WeakPolarHBondContact O-CG 3.5Å; K113-E117 PolarHBondContact O-N 3.49Å; T114-E117 PolarHBondContact O-N 3.47Å; E117-A119 PolarHBondContact O-N 2.96Å; E117-K120 WeakPolarHBondContact O-CB 3.26Å; E117-K120 PolarHBondContact O-N 3.31Å; E117-I121 WeakPolarHBondContact O-CG1 3.35Å; E117-I121 PolarHBondContact O-N 3Å
118	E	89.6	Confident	89.4	Confident	113 Å²	113	112 Å²	112	53%	0.528	52%	0.523	S	S	.	.	H	α-helix	trans	-61	-43.3	174.8	-74.1	-176.3	169.3	0	0	111.9	T114 K120 I121 Q122	T114-E118 WeakPolarHBondContact O-CG 3.47Å; T114-E118 PolarHBondContact O-N 3.24Å; E118-K120 VanDerWaalsContact C-N 3.35Å; E118-K120 PolarHBondContact O-N 3.39Å; E118-I121 PolarHBondContact O-N 2.93Å; E118-Q122 WeakPolarHBondContact O-CG 3.35Å; E118-Q122 PolarHBondContact O-N 2.87Å
119	A	89.9	Confident	89.6	Confident	55 Å²	55	114.6 Å²	114.6	46%	0.455	54%	0.535	S	S	.	.	H	α-helix	trans	-63.2	-39.3	176.2	0	0	0	0	0	112.1	L115 E117 Q122 K123	L115-A119 VanDerWaalsContact O-CB 3.26Å; L115-A119 WeakPolarHBondContact O-CB 3.29Å; L115-A119 PolarHBondContact O-N 3.47Å; E117-A119 PolarHBondContact O-N 2.96Å; A119-Q122 PolarHBondContact O-N 2.94Å; A119-K123 WeakPolarHBondContact O-CB 3.47Å; A119-K123 PolarHBondContact O-N 3.25Å
120	K	91.6	Very high	89.9	Confident	127 Å²	127	113.1 Å²	113.1	55%	0.552	53%	0.531	S	S	*	.	H	α-helix	trans	-61.9	-45.2	173.2	-79.1	169.5	-177.9	169	0	111.5	E116 E117 E118 K123 Q124	E116-K120 WeakPolarHBondContact O-CB 3.46Å; E116-K120 VanDerWaalsContact O-CG 3.29Å; E116-K120 WeakPolarHBondContact O-CG 3.36Å; E116-K120 PolarHBondContact O-N 2.96Å; E117-K120 WeakPolarHBondContact O-CB 3.26Å; E117-K120 PolarHBondContact O-N 3.31Å; E118-K120 VanDerWaalsContact C-N 3.35Å; E118-K120 PolarHBondContact O-N 3.39Å; K120-K123 PolarHBondContact O-N 3.01Å; K120-Q124 WeakPolarHBondContact O-CG 3.43Å; K120-Q124 PolarHBondContact O-N 2.92Å
121	I	90.8	Very high	90.1	Very high	81 Å²	81	112.2 Å²	112.2	42%	0.415	53%	0.528	S	S	.	.	H	α-helix	trans	-64.3	-43.3	178.2	-67.3	166.8	0	0	0	110.8	E117 E118 Q124 R125	E117-I121 WeakPolarHBondContact O-CG1 3.35Å; E117-I121 PolarHBondContact O-N 3Å; E118-I121 PolarHBondContact O-N 2.93Å; I121-Q124 PolarHBondContact O-N 3.46Å; I121-R125 WeakPolarHBondContact O-CG 3.39Å; I121-R125 PolarHBondContact O-N 2.99Å
122	Q	91	Very high	90.2	Very high	134 Å²	134	108.2 Å²	108.2	63%	0.626	52%	0.517	S	S	*	.	H	α-helix	trans	-62.8	-43.8	176.6	-75.7	-173.9	6.3	0	0	111.9	E118 A119 R125 A126	E118-Q122 WeakPolarHBondContact O-CG 3.35Å; E118-Q122 PolarHBondContact O-N 2.87Å; A119-Q122 PolarHBondContact O-N 2.94Å; Q122-R125 PolarHBondContact O-N 3.43Å; Q122-A126 WeakPolarHBondContact O-CB 3.42Å; Q122-A126 PolarHBondContact O-N 3.18Å
123	K	91.7	Very high	90.4	Very high	141 Å²	141	102.6 Å²	102.6	61%	0.613	50%	0.503	S	S	*	.	H	α-helix	trans	-60.6	-46.9	175.4	-174.8	-179.2	176	-177.8	0	111.6	A119 K120 R125 A126 D127	A119-K123 WeakPolarHBondContact O-CB 3.47Å; A119-K123 PolarHBondContact O-N 3.25Å; K120-K123 PolarHBondContact O-N 3.01Å; K123-R125 VanDerWaalsContact C-N 3.31Å; K123-R125 PolarHBondContact O-N 2.83Å; K123-A126 PolarHBondContact O-N 3.04Å; K123-D127 WeakPolarHBondContact O-CB 3.39Å; K123-D127 VanDerWaalsContact O-CG 3.29Å; K123-D127 PolarHBondContact O-N 3.35Å
124	Q	91.1	Very high	90.3	Very high	135 Å²	135	104.2 Å²	104.2	63%	0.631	51%	0.506	S	S	*	.	H	α-helix	trans	-60.1	-39.8	176.6	-74.9	177.8	-5.7	0	0	112.4	K120 I121 Y128	K120-Q124 WeakPolarHBondContact O-CG 3.43Å; K120-Q124 PolarHBondContact O-N 2.92Å; I121-Q124 PolarHBondContact O-N 3.46Å; Q124-Y128 VanDerWaalsContact O-CB 3.27Å; Q124-Y128 WeakPolarHBondContact O-CB 3.18Å; Q124-Y128 PolarHBondContact O-N 3.07Å
125	R	92.8	Very high	90.3	Very high	171 Å²	171	106.2 Å²	106.2	65%	0.645	51%	0.508	S	S	*	.	H	α-helix	trans	-65.2	-42.5	174.9	-74.5	178.6	-179	179.1	2.2	112.1	I121 Q122 K123 Y128 Q129	I121-R125 WeakPolarHBondContact O-CG 3.39Å; I121-R125 PolarHBondContact O-N 2.99Å; Q122-R125 PolarHBondContact O-N 3.43Å; K123-R125 VanDerWaalsContact C-N 3.31Å; K123-R125 PolarHBondContact O-N 2.83Å; R125-Y128 PolarHBondContact O-N 2.84Å; R125-Q129 WeakPolarHBondContact O-CB 3.49Å; R125-Q129 WeakPolarHBondContact O-CG 3.27Å; R125-Q129 PolarHBondContact O-N 3.28Å
126	A	90.5	Very high	90.4	Very high	52 Å²	52	108.5 Å²	108.5	43%	0.43	51%	0.509	S	S	.	.	H	α-helix	trans	-64.9	-46.3	177.4	0	0	0	0	0	111.7	Q122 K123 Y128 Q129 D130	Q122-A126 WeakPolarHBondContact O-CB 3.42Å; Q122-A126 PolarHBondContact O-N 3.18Å; K123-A126 PolarHBondContact O-N 3.04Å; A126-Y128 VanDerWaalsContact C-N 3.32Å; A126-Y128 PolarHBondContact O-N 3.4Å; A126-Q129 PolarHBondContact O-N 3.22Å; A126-D130 PolarHBondContact O-N 3.01Å
127	D	90.9	Very high	90.4	Very high	92 Å²	92	110 Å²	110	49%	0.492	52%	0.516	S	S	.	.	H	α-helix	trans	-61.9	-39.7	177.1	-69.2	-18.5	0	0	0	111.2	K123 D130 M131	K123-D127 WeakPolarHBondContact O-CB 3.39Å; K123-D127 VanDerWaalsContact O-CG 3.29Å; K123-D127 PolarHBondContact O-N 3.35Å; D127-D130 PolarHBondContact O-N 3.34Å; D127-M131 WeakPolarHBondContact O-CB 3.37Å; D127-M131 PolarHBondContact O-N 3.16Å
128	Y	91.3	Very high	90.4	Very high	141 Å²	141	110.2 Å²	110.2	55%	0.553	52%	0.517	S	S	*	.	H	α-helix	trans	-66.5	-40.8	175.7	-174.3	-105.9	0	0	0	112.4	Q124 R125 A126 M131 L132	Q124-Y128 VanDerWaalsContact O-CB 3.27Å; Q124-Y128 WeakPolarHBondContact O-CB 3.18Å; Q124-Y128 PolarHBondContact O-N 3.07Å; R125-Y128 PolarHBondContact O-N 2.84Å; A126-Y128 VanDerWaalsContact C-N 3.32Å; A126-Y128 PolarHBondContact O-N 3.4Å; Y128-M131 PolarHBondContact O-N 2.89Å; Y128-L132 HydrophobicContact CD1-CD1 3.91Å; Y128-L132 HydrophobicContact CD1-CG 4.49Å; Y128-L132 HydrophobicContact CE1-CD1 3.44Å; Y128-L132 VanDerWaalsContact CE1-CD1 3.44Å; Y128-L132 HydrophobicContact CE1-CG 4.16Å; Y128-L132 WeakPolarHBondContact O-CG 3.39Å; Y128-L132 PolarHBondContact O-N 3.06Å
129	Q	91.2	Very high	90.4	Very high	134 Å²	134	109.9 Å²	109.9	63%	0.626	52%	0.519	S	S	*	.	H	α-helix	trans	-65	-40.8	174.8	-76.4	-179.4	-7.4	0	0	112.3	R125 A126 L132 A133	R125-Q129 WeakPolarHBondContact O-CB 3.49Å; R125-Q129 WeakPolarHBondContact O-CG 3.27Å; R125-Q129 PolarHBondContact O-N 3.28Å; A126-Q129 PolarHBondContact O-N 3.22Å; Q129-L132 PolarHBondContact O-N 3.28Å; Q129-A133 WeakPolarHBondContact O-CB 3.41Å; Q129-A133 PolarHBondContact O-N 3.38Å
130	D	90.8	Very high	90.3	Very high	73 Å²	73	113.4 Å²	113.4	39%	0.39	53%	0.526	S	S	.	.	H	α-helix	trans	-64.1	-43	175.1	-168.9	46.7	0	0	0	111	A126 D127 L132 A133 R134	A126-D130 PolarHBondContact O-N 3.01Å; D127-D130 PolarHBondContact O-N 3.34Å; D130-L132 PolarHBondContact O-N 2.97Å; D130-A133 PolarHBondContact O-N 2.97Å; D130-A133 VanDerWaalsContact O-N 3.17Å; D130-R134 WeakPolarHBondContact O-CG 3.37Å; D130-R134 PolarHBondContact O-N 3.06Å; D130-R134 IonicContact OD1-NE 3.88Å; D130-R134 IonicContact OD2-CZ 3.66Å; D130-R134 IonicContact OD2-NE 2.75Å; D130-R134 PolarHBondContact OD2-NE 3.22Å; D130-R134 IonicContact OD2-NH2 2.72Å; D130-R134 PolarHBondContact OD2-NH2 3.19Å
131	M	90.2	Very high	90.1	Very high	97 Å²	97	112.6 Å²	112.6	48%	0.478	53%	0.527	S	S	.	.	H	α-helix	trans	-58.5	-45.4	174.2	-170.8	-157.5	-64.1	0	0	111.9	D127 Y128 A133 R134 K135	D127-M131 WeakPolarHBondContact O-CB 3.37Å; D127-M131 PolarHBondContact O-N 3.16Å; Y128-M131 PolarHBondContact O-N 2.89Å; M131-A133 VanDerWaalsContact C-N 3.33Å; M131-A133 PolarHBondContact O-N 3.4Å; M131-R134 PolarHBondContact O-N 3.27Å; M131-K135 PolarHBondContact O-N 2.92Å
132	L	88.8	Confident	90.1	Very high	67 Å²	67	111.5 Å²	111.5	35%	0.351	53%	0.53	S	S	.	.	H	α-helix	trans	-67.1	-32.6	177.1	-73.8	177.6	0	0	0	112.8	Y128 Q129 D130 R136	Y128-L132 HydrophobicContact CD1-CD1 3.91Å; Y128-L132 HydrophobicContact CD1-CG 4.49Å; Y128-L132 HydrophobicContact CE1-CD1 3.44Å; Y128-L132 VanDerWaalsContact CE1-CD1 3.44Å; Y128-L132 HydrophobicContact CE1-CG 4.16Å; Y128-L132 WeakPolarHBondContact O-CG 3.39Å; Y128-L132 PolarHBondContact O-N 3.06Å; Q129-L132 PolarHBondContact O-N 3.28Å; D130-L132 PolarHBondContact O-N 2.97Å; L132-R136 WeakPolarHBondContact O-CB 3.3Å; L132-R136 WeakPolarHBondContact O-CG 3.4Å; L132-R136 PolarHBondContact O-N 3.49Å; L132-R136 VanDerWaalsContact O-N 3.11Å; L132-R136 PolarHBondContact O-NE 2.75Å
133	A	89.7	Confident	90	Very high	31 Å²	31	111.3 Å²	111.3	26%	0.256	53%	0.532	S	S	.	.	H	α-helix	trans	-69.5	-44	175.4	0	0	0	0	0	111.3	Q129 D130 M131 R136 Q137	Q129-A133 WeakPolarHBondContact O-CB 3.41Å; Q129-A133 PolarHBondContact O-N 3.38Å; D130-A133 PolarHBondContact O-N 2.97Å; D130-A133 VanDerWaalsContact O-N 3.17Å; M131-A133 VanDerWaalsContact C-N 3.33Å; M131-A133 PolarHBondContact O-N 3.4Å; A133-R136 PolarHBondContact O-N 3.23Å; A133-Q137 WeakPolarHBondContact O-CG 3.36Å; A133-Q137 PolarHBondContact O-N 2.96Å
134	R	88.7	Confident	89.8	Confident	150 Å²	150	110.6 Å²	110.6	57%	0.566	53%	0.531	S	S	*	.	H	α-helix	trans	-61	-46.2	174.5	-69.4	-179.2	-165.7	-160.4	5.9	111.8	D130 M131 R136 Q137 E138	D130-R134 WeakPolarHBondContact O-CG 3.37Å; D130-R134 PolarHBondContact O-N 3.06Å; D130-R134 IonicContact OD1-NE 3.88Å; D130-R134 IonicContact OD2-CZ 3.66Å; D130-R134 IonicContact OD2-NE 2.75Å; D130-R134 PolarHBondContact OD2-NE 3.22Å; D130-R134 IonicContact OD2-NH2 2.72Å; D130-R134 PolarHBondContact OD2-NH2 3.19Å; M131-R134 PolarHBondContact O-N 3.27Å; R134-R136 PolarHBondContact O-N 2.86Å; R134-Q137 PolarHBondContact O-N 3.18Å; R134-E138 WeakPolarHBondContact O-CB 3.46Å; R134-E138 WeakPolarHBondContact O-CG 3.46Å; R134-E138 PolarHBondContact O-N 3.24Å
135	K	89.6	Confident	89.7	Confident	116 Å²	116	106.6 Å²	106.6	50%	0.504	52%	0.521	S	S	.	.	H	α-helix	trans	-58.9	-45	175	-78.5	-172.8	176.6	-177	0	112.4	M131 Q137 E138 D139	M131-K135 PolarHBondContact O-N 2.92Å; K135-Q137 VanDerWaalsContact C-N 3.32Å; K135-Q137 PolarHBondContact O-N 2.91Å; K135-E138 PolarHBondContact O-N 2.99Å; K135-D139 WeakPolarHBondContact O-CB 3.16Å; K135-D139 VanDerWaalsContact O-CG 3.27Å; K135-D139 PolarHBondContact O-N 3.09Å
136	R	90.2	Very high	89.5	Confident	157 Å²	157	105.3 Å²	105.3	59%	0.592	52%	0.521	S	S	*	.	H	α-helix	trans	-61.5	-39.1	175.9	-79.1	-179	-77.3	147.2	-7.9	112.6	L132 A133 R134 Q140	L132-R136 WeakPolarHBondContact O-CB 3.3Å; L132-R136 WeakPolarHBondContact O-CG 3.4Å; L132-R136 PolarHBondContact O-N 3.49Å; L132-R136 VanDerWaalsContact O-N 3.11Å; L132-R136 PolarHBondContact O-NE 2.75Å; A133-R136 PolarHBondContact O-N 3.23Å; R134-R136 PolarHBondContact O-N 2.86Å; R136-Q140 WeakPolarHBondContact O-CB 3.41Å; R136-Q140 WeakPolarHBondContact O-CG 3.25Å; R136-Q140 PolarHBondContact O-N 2.97Å
137	Q	88.9	Confident	89.4	Confident	120 Å²	120	105.3 Å²	105.3	56%	0.561	52%	0.52	S	S	*	.	H	α-helix	trans	-69.2	-43.4	175.7	-76.4	-177.9	-20	0	0	111.9	A133 R134 K135 Q140 I141	A133-Q137 WeakPolarHBondContact O-CG 3.36Å; A133-Q137 PolarHBondContact O-N 2.96Å; R134-Q137 PolarHBondContact O-N 3.18Å; K135-Q137 VanDerWaalsContact C-N 3.32Å; K135-Q137 PolarHBondContact O-N 2.91Å; Q137-Q140 PolarHBondContact O-N 2.74Å; Q137-I141 WeakPolarHBondContact O-CB 3.34Å; Q137-I141 VanDerWaalsContact O-CG1 3.22Å; Q137-I141 WeakPolarHBondContact O-CG1 3.09Å; Q137-I141 PolarHBondContact O-N 3.32Å
138	E	88.8	Confident	89.2	Confident	127 Å²	127	107.4 Å²	107.4	59%	0.593	53%	0.527	S	S	*	.	H	α-helix	trans	-59.8	-45.9	174.9	-76.7	176.9	173	0	0	111.3	R134 K135 Q140 I141 A142	R134-E138 WeakPolarHBondContact O-CB 3.46Å; R134-E138 WeakPolarHBondContact O-CG 3.46Å; R134-E138 PolarHBondContact O-N 3.24Å; K135-E138 PolarHBondContact O-N 2.99Å; E138-Q140 PolarHBondContact O-N 2.86Å; E138-I141 PolarHBondContact O-N 3.04Å; E138-A142 VanDerWaalsContact O-CB 3.29Å; E138-A142 WeakPolarHBondContact O-CB 3.25Å; E138-A142 PolarHBondContact O-N 3.48Å
139	D	90	Very high	89	Confident	106 Å²	106	103.3 Å²	103.3	57%	0.567	52%	0.523	S	S	*	.	H	α-helix	trans	-62.4	-41.2	176.7	-71.7	-23.5	0	0	0	111.6	K135 A142 L143	K135-D139 WeakPolarHBondContact O-CB 3.16Å; K135-D139 VanDerWaalsContact O-CG 3.27Å; K135-D139 PolarHBondContact O-N 3.09Å; D139-A142 PolarHBondContact O-N 3.5Å; D139-L143 WeakPolarHBondContact O-CB 3.43Å; D139-L143 PolarHBondContact O-N 3.41Å
140	Q	87.6	Confident	88.8	Confident	129 Å²	129	101.1 Å²	101.1	60%	0.603	52%	0.515	S	S	*	.	H	α-helix	trans	-65.4	-43.9	175.2	-81.2	-176.7	2.8	0	0	112.4	R136 Q137 E138 A142 L143 Q144	R136-Q140 WeakPolarHBondContact O-CB 3.41Å; R136-Q140 WeakPolarHBondContact O-CG 3.25Å; R136-Q140 PolarHBondContact O-N 2.97Å; Q137-Q140 PolarHBondContact O-N 2.74Å; E138-Q140 PolarHBondContact O-N 2.86Å; Q140-A142 VanDerWaalsContact C-N 3.33Å; Q140-L143 PolarHBondContact O-N 3.45Å; Q140-Q144 WeakPolarHBondContact O-CB 3.48Å; Q140-Q144 WeakPolarHBondContact O-CG 2.93Å; Q140-Q144 PolarHBondContact O-N 3.06Å
141	I	87.7	Confident	88.6	Confident	110 Å²	110	102 Å²	102	56%	0.564	52%	0.52	S	S	*	.	H	α-helix	trans	-64.4	-41	177.1	-69.1	165.6	0	0	0	109.8	Q137 E138 Q144 A145	Q137-I141 WeakPolarHBondContact O-CB 3.34Å; Q137-I141 VanDerWaalsContact O-CG1 3.22Å; Q137-I141 WeakPolarHBondContact O-CG1 3.09Å; Q137-I141 PolarHBondContact O-N 3.32Å; E138-I141 PolarHBondContact O-N 3.04Å; I141-Q144 PolarHBondContact O-N 2.98Å; I141-A145 WeakPolarHBondContact O-CB 3.21Å; I141-A145 PolarHBondContact O-N 3Å
142	A	89.8	Confident	88.4	Confident	59 Å²	59	101.8 Å²	101.8	49%	0.488	52%	0.52	S	S	.	.	H	α-helix	trans	-64.2	-42.4	176.7	0	0	0	0	0	112	E138 D139 Q140 A145 K146	E138-A142 VanDerWaalsContact O-CB 3.29Å; E138-A142 WeakPolarHBondContact O-CB 3.25Å; E138-A142 PolarHBondContact O-N 3.48Å; D139-A142 PolarHBondContact O-N 3.5Å; Q140-A142 VanDerWaalsContact C-N 3.33Å; A142-A145 PolarHBondContact O-N 3.41Å; A142-K146 WeakPolarHBondContact O-CB 3.44Å; A142-K146 PolarHBondContact O-N 2.88Å
143	L	89.4	Confident	88.3	Confident	129 Å²	129	104.4 Å²	104.4	68%	0.675	53%	0.529	S	S	*	.	H	α-helix	trans	-62.3	-45.7	173.8	-106.9	147.6	0	0	0	112.1	D139 Q140 K146 A147	D139-L143 WeakPolarHBondContact O-CB 3.43Å; D139-L143 PolarHBondContact O-N 3.41Å; Q140-L143 PolarHBondContact O-N 3.45Å; L143-K146 PolarHBondContact O-N 3.1Å; L143-A147 WeakPolarHBondContact O-CB 3.29Å; L143-A147 PolarHBondContact O-N 3.14Å
144	Q	88.1	Confident	88.2	Confident	126 Å²	126	109.5 Å²	109.5	59%	0.589	55%	0.545	S	S	*	.	H	α-helix	trans	-65	-42.6	176.4	-77.2	-175.1	-4.4	0	0	112.1	Q140 I141 K146 A147 Q148	Q140-Q144 WeakPolarHBondContact O-CB 3.48Å; Q140-Q144 WeakPolarHBondContact O-CG 2.93Å; Q140-Q144 PolarHBondContact O-N 3.06Å; I141-Q144 PolarHBondContact O-N 2.98Å; Q144-K146 VanDerWaalsContact C-N 3.32Å; Q144-K146 PolarHBondContact O-N 3.3Å; Q144-A147 PolarHBondContact O-N 3.44Å; Q144-Q148 WeakPolarHBondContact O-CB 3.38Å; Q144-Q148 WeakPolarHBondContact O-CG 3.33Å; Q144-Q148 PolarHBondContact O-N 2.97Å
145	A	88.1	Confident	88	Confident	51 Å²	51	108.4 Å²	108.4	42%	0.421	55%	0.546	S	S	.	.	H	α-helix	trans	-62.5	-40	176.7	0	0	0	0	0	111.4	I141 A142 Q148 A149	I141-A145 WeakPolarHBondContact O-CB 3.21Å; I141-A145 PolarHBondContact O-N 3Å; A142-A145 PolarHBondContact O-N 3.41Å; A145-Q148 PolarHBondContact O-N 3.45Å; A145-A149 VanDerWaalsContact O-CB 3.28Å; A145-A149 WeakPolarHBondContact O-CB 3.31Å; A145-A149 PolarHBondContact O-N 3.32Å
146	K	88.9	Confident	87.8	Confident	145 Å²	145	107.8 Å²	107.8	63%	0.63	55%	0.545	S	S	*	.	H	α-helix	trans	-65.2	-44.8	174.8	-164.6	178.6	-178.4	-178.2	0	111.7	A142 L143 Q144 Q148 A149 D150	A142-K146 WeakPolarHBondContact O-CB 3.44Å; A142-K146 PolarHBondContact O-N 2.88Å; L143-K146 PolarHBondContact O-N 3.1Å; Q144-K146 VanDerWaalsContact C-N 3.32Å; Q144-K146 PolarHBondContact O-N 3.3Å; K146-Q148 PolarHBondContact O-N 3.03Å; K146-A149 PolarHBondContact O-N 3.33Å; K146-D150 PolarHBondContact O-N 3.26Å
147	A	88.4	Confident	87.6	Confident	51 Å²	51	104.5 Å²	104.5	42%	0.421	54%	0.537	S	S	.	.	H	α-helix	trans	-63.9	-39.1	176.2	0	0	0	0	0	112.7	L143 Q144 N151	L143-A147 WeakPolarHBondContact O-CB 3.29Å; L143-A147 PolarHBondContact O-N 3.14Å; Q144-A147 PolarHBondContact O-N 3.44Å; A147-N151 WeakPolarHBondContact O-CB 3.43Å; A147-N151 PolarHBondContact O-N 3.43Å; A147-N151 PolarHBondContact O-ND2 3.04Å
148	Q	86.8	Confident	87.4	Confident	136 Å²	136	101.5 Å²	101.5	64%	0.636	53%	0.529	S	S	*	.	H	α-helix	trans	-66.5	-43.2	173.7	-75.8	-176.5	-7	0	0	111.5	Q144 A145 K146 D150 N151 L152	Q144-Q148 WeakPolarHBondContact O-CB 3.38Å; Q144-Q148 WeakPolarHBondContact O-CG 3.33Å; Q144-Q148 PolarHBondContact O-N 2.97Å; A145-Q148 PolarHBondContact O-N 3.45Å; K146-Q148 PolarHBondContact O-N 3.03Å; Q148-D150 PolarHBondContact O-N 3.2Å; Q148-N151 PolarHBondContact O-N 3Å; Q148-L152 VanDerWaalsContact O-CB 3.28Å; Q148-L152 WeakPolarHBondContact O-CB 3.26Å; Q148-L152 PolarHBondContact O-N 3.15Å
149	A	87.5	Confident	87.3	Confident	56 Å²	56	98.6 Å²	98.6	46%	0.463	52%	0.52	S	S	.	.	H	α-helix	trans	-61.9	-42	176.3	0	0	0	0	0	112	A145 K146 L152 K153	A145-A149 VanDerWaalsContact O-CB 3.28Å; A145-A149 WeakPolarHBondContact O-CB 3.31Å; A145-A149 PolarHBondContact O-N 3.32Å; K146-A149 PolarHBondContact O-N 3.33Å; A149-L152 PolarHBondContact O-N 3.5Å; A149-K153 WeakPolarHBondContact O-CB 3.5Å; A149-K153 PolarHBondContact O-N 2.98Å
150	D	86.9	Confident	87	Confident	87 Å²	87	99.5 Å²	99.5	47%	0.465	52%	0.521	S	S	.	.	H	α-helix	trans	-65.3	-39.9	176.2	-72.5	-19.6	0	0	0	111.8	K146 Q148 K154	K146-D150 PolarHBondContact O-N 3.26Å; Q148-D150 PolarHBondContact O-N 3.2Å; D150-K154 WeakPolarHBondContact O-CG 3.44Å; D150-K154 PolarHBondContact O-N 3.46Å
151	N	86.4	Confident	86.9	Confident	93 Å²	93	100.6 Å²	100.6	50%	0.497	52%	0.523	S	S	.	.	H	α-helix	trans	-67.3	-41.1	174.4	-83.6	-29.5	0	0	0	112.4	A147 Q148 K154 Q155	A147-N151 WeakPolarHBondContact O-CB 3.43Å; A147-N151 PolarHBondContact O-N 3.43Å; A147-N151 PolarHBondContact O-ND2 3.04Å; Q148-N151 PolarHBondContact O-N 3Å; N151-K154 PolarHBondContact O-N 3.19Å; N151-Q155 WeakPolarHBondContact O-CG 3.48Å; N151-Q155 PolarHBondContact O-N 2.94Å
152	L	85.5	Confident	86.5	Confident	92 Å²	92	101.1 Å²	101.1	48%	0.482	52%	0.523	S	S	.	.	H	α-helix	trans	-66.9	-40.3	178.7	-159.7	149.3	0	0	0	110.4	Q148 A149 K154 Q155 E156	Q148-L152 VanDerWaalsContact O-CB 3.28Å; Q148-L152 WeakPolarHBondContact O-CB 3.26Å; Q148-L152 PolarHBondContact O-N 3.15Å; A149-L152 PolarHBondContact O-N 3.5Å; L152-K154 PolarHBondContact O-N 2.9Å; L152-Q155 CarbonylContact O-C 3.56Å; L152-Q155 WeakPolarHBondContact O-CB 3.19Å; L152-Q155 PolarHBondContact O-N 3.38Å; L152-Q155 VanDerWaalsContact O-N 3.17Å; L152-E156 HydrophobicContact CD2-CG 3.91Å; L152-E156 WeakPolarHBondContact CD2-OE1 3.4Å; L152-E156 WeakPolarHBondContact O-CB 3.4Å; L152-E156 WeakPolarHBondContact O-CG 3.41Å; L152-E156 PolarHBondContact O-N 3.3Å
153	K	88.2	Confident	86.1	Confident	121 Å²	121	103 Å²	103	53%	0.526	52%	0.522	S	S	.	.	H	α-helix	trans	-60.9	-43.5	172.4	-171.7	179.3	176.5	-174.9	0	112.1	A149 Q155 E156 E157	A149-K153 WeakPolarHBondContact O-CB 3.5Å; A149-K153 PolarHBondContact O-N 2.98Å; K153-Q155 VanDerWaalsContact C-N 3.32Å; K153-Q155 PolarHBondContact O-N 3.32Å; K153-E156 PolarHBondContact O-N 3.22Å; K153-E157 WeakPolarHBondContact CE-OE1 3.45Å; K153-E157 WeakPolarHBondContact O-CB 3.35Å; K153-E157 WeakPolarHBondContact O-CG 3.5Å; K153-E157 PolarHBondContact O-N 3.41Å
154	K	87.4	Confident	85.9	Confident	138 Å²	138	99.7 Å²	99.7	60%	0.6	51%	0.513	S	S	*	.	H	α-helix	trans	-62.1	-39.1	173.7	-73.7	173.7	-176.8	175.4	0	112.2	D150 N151 L152 S158	D150-K154 WeakPolarHBondContact O-CG 3.44Å; D150-K154 PolarHBondContact O-N 3.46Å; N151-K154 PolarHBondContact O-N 3.19Å; L152-K154 PolarHBondContact O-N 2.9Å; K154-S158 WeakPolarHBondContact O-CB 3.47Å; K154-S158 PolarHBondContact O-N 2.87Å
155	Q	84	Confident	85.6	Confident	127 Å²	127	100.3 Å²	100.3	59%	0.593	52%	0.518	S	S	*	.	H	α-helix	trans	-66	-47	175	-74.7	-179.2	-0.1	0	0	111.2	N151 L152 K153 E157 S158 V159	N151-Q155 WeakPolarHBondContact O-CG 3.48Å; N151-Q155 PolarHBondContact O-N 2.94Å; L152-Q155 CarbonylContact O-C 3.56Å; L152-Q155 WeakPolarHBondContact O-CB 3.19Å; L152-Q155 PolarHBondContact O-N 3.38Å; L152-Q155 VanDerWaalsContact O-N 3.17Å; K153-Q155 VanDerWaalsContact C-N 3.32Å; K153-Q155 PolarHBondContact O-N 3.32Å; Q155-E157 PolarHBondContact O-N 3Å; Q155-S158 PolarHBondContact O-N 2.91Å; Q155-S158 VanDerWaalsContact O-N 3.1Å; Q155-S158 PolarHBondContact O-OG 3.19Å; Q155-V159 WeakPolarHBondContact O-CG2 3.32Å; Q155-V159 PolarHBondContact O-N 3.45Å
156	E	84.8	Confident	85.4	Confident	103 Å²	103	106.3 Å²	106.3	48%	0.481	53%	0.529	S	S	.	.	H	α-helix	trans	-58.8	-44.6	175.5	-75.9	179.6	168.6	0	0	111.7	L152 K153 S158 V159 Q160	L152-E156 HydrophobicContact CD2-CG 3.91Å; L152-E156 WeakPolarHBondContact CD2-OE1 3.4Å; L152-E156 WeakPolarHBondContact O-CB 3.4Å; L152-E156 WeakPolarHBondContact O-CG 3.41Å; L152-E156 PolarHBondContact O-N 3.3Å; K153-E156 PolarHBondContact O-N 3.22Å; E156-S158 VanDerWaalsContact C-N 3.31Å; E156-S158 PolarHBondContact O-N 3.46Å; E156-V159 PolarHBondContact O-N 2.86Å; E156-Q160 VanDerWaalsContact O-CB 3.32Å; E156-Q160 WeakPolarHBondContact O-CB 3.37Å; E156-Q160 VanDerWaalsContact O-CG 3.29Å; E156-Q160 WeakPolarHBondContact O-CG 3.43Å; E156-Q160 PolarHBondContact O-N 2.97Å
157	E	86.6	Confident	85.1	Confident	89 Å²	89	107.6 Å²	107.6	42%	0.416	53%	0.53	S	S	.	.	H	α-helix	trans	-62.1	-37.2	174.7	-74.7	175.9	-170.6	0	0	111.9	K153 Q155 K161	K153-E157 WeakPolarHBondContact CE-OE1 3.45Å; K153-E157 WeakPolarHBondContact O-CB 3.35Å; K153-E157 WeakPolarHBondContact O-CG 3.5Å; K153-E157 PolarHBondContact O-N 3.41Å; Q155-E157 PolarHBondContact O-N 3Å; E157-K161 WeakPolarHBondContact O-CB 3.39Å; E157-K161 VanDerWaalsContact O-CG 3.27Å; E157-K161 WeakPolarHBondContact O-CG 3.46Å; E157-K161 PolarHBondContact O-N 3.41Å
158	S	83.7	Confident	85	Confident	56 Å²	56	107.7 Å²	107.7	39%	0.392	53%	0.531	S	S	.	.	H	α-helix	trans	-70	-39.7	175.9	79.9	0	0	0	0	112.6	K154 Q155 E156 K161 Q162	K154-S158 WeakPolarHBondContact O-CB 3.47Å; K154-S158 PolarHBondContact O-N 2.87Å; Q155-S158 PolarHBondContact O-N 2.91Å; Q155-S158 VanDerWaalsContact O-N 3.1Å; Q155-S158 PolarHBondContact O-OG 3.19Å; E156-S158 VanDerWaalsContact C-N 3.31Å; E156-S158 PolarHBondContact O-N 3.46Å; S158-K161 PolarHBondContact O-N 2.79Å; S158-Q162 WeakPolarHBondContact O-CG 3.45Å; S158-Q162 PolarHBondContact O-N 2.88Å
159	V	87	Confident	85	Confident	66 Å²	66	105.3 Å²	105.3	40%	0.4	53%	0.526	S	S	.	.	H	α-helix	trans	-69.6	-43.8	177.4	171.8	0	0	0	0	109.8	Q155 E156 K161 Q162 E163	Q155-V159 WeakPolarHBondContact O-CG2 3.32Å; Q155-V159 PolarHBondContact O-N 3.45Å; E156-V159 PolarHBondContact O-N 2.86Å; V159-K161 VanDerWaalsContact C-N 3.31Å; V159-K161 PolarHBondContact O-N 3.2Å; V159-Q162 CarbonylContact O-C 3.56Å; V159-Q162 PolarHBondContact O-N 3.13Å; V159-Q162 VanDerWaalsContact O-N 3.11Å; V159-E163 HydrophobicContact CG1-CG 4.27Å; V159-E163 WeakPolarHBondContact O-CB 3.31Å; V159-E163 WeakPolarHBondContact O-CG 3.28Å; V159-E163 PolarHBondContact O-N 3.35Å
160	Q	84.1	Confident	84.6	Confident	126 Å²	126	107.9 Å²	107.9	59%	0.589	53%	0.531	S	S	*	.	H	α-helix	trans	-60	-40.2	174.3	-76.8	-179.5	8.5	0	0	111.7	E156 E163 A164	E156-Q160 VanDerWaalsContact O-CB 3.32Å; E156-Q160 WeakPolarHBondContact O-CB 3.37Å; E156-Q160 VanDerWaalsContact O-CG 3.29Å; E156-Q160 WeakPolarHBondContact O-CG 3.43Å; E156-Q160 PolarHBondContact O-N 2.97Å; Q160-E163 PolarHBondContact O-N 3.2Å; Q160-A164 WeakPolarHBondContact O-CB 3.34Å; Q160-A164 PolarHBondContact O-N 3.17Å
161	K	86.2	Confident	84.5	Confident	151 Å²	151	109.8 Å²	109.8	66%	0.657	54%	0.537	S	S	*	.	H	α-helix	trans	-63	-42.4	173.1	-77	174.5	-176.7	176.9	0	112	E157 S158 V159 M165	E157-K161 WeakPolarHBondContact O-CB 3.39Å; E157-K161 VanDerWaalsContact O-CG 3.27Å; E157-K161 WeakPolarHBondContact O-CG 3.46Å; E157-K161 PolarHBondContact O-N 3.41Å; S158-K161 PolarHBondContact O-N 2.79Å; V159-K161 VanDerWaalsContact C-N 3.31Å; V159-K161 PolarHBondContact O-N 3.2Å; K161-M165 WeakPolarHBondContact O-CB 3.46Å; K161-M165 PolarHBondContact O-N 2.94Å
162	Q	79.3	Confident	84.4	Confident	122 Å²	122	112.2 Å²	112.2	57%	0.57	54%	0.543	S	S	*	.	H	α-helix	trans	-67.1	-40.7	176	-74.9	-177.2	2.2	0	0	112.6	S158 V159 M165 R166	S158-Q162 WeakPolarHBondContact O-CG 3.45Å; S158-Q162 PolarHBondContact O-N 2.88Å; V159-Q162 CarbonylContact O-C 3.56Å; V159-Q162 PolarHBondContact O-N 3.13Å; V159-Q162 VanDerWaalsContact O-N 3.11Å; Q162-M165 PolarHBondContact O-N 2.75Å; Q162-R166 WeakPolarHBondContact O-CB 3.48Å; Q162-R166 PolarHBondContact O-N 3.43Å
163	E	79.9	Confident	84.2	Confident	99 Å²	99	112.5 Å²	112.5	46%	0.463	54%	0.542	S	S	.	.	H	α-helix	trans	-67.9	-41.9	176.9	-76.2	-168.5	169.6	0	0	111.8	V159 Q160 M165 R166 R167	V159-E163 HydrophobicContact CG1-CG 4.27Å; V159-E163 WeakPolarHBondContact O-CB 3.31Å; V159-E163 WeakPolarHBondContact O-CG 3.28Å; V159-E163 PolarHBondContact O-N 3.35Å; Q160-E163 PolarHBondContact O-N 3.2Å; E163-M165 VanDerWaalsContact C-N 3.33Å; E163-R166 PolarHBondContact O-N 3.09Å; E163-R167 WeakPolarHBondContact O-CB 3.47Å; E163-R167 WeakPolarHBondContact O-CG 3.43Å; E163-R167 PolarHBondContact O-N 3.16Å
164	A	85.7	Confident	83.8	Confident	59 Å²	59	109.4 Å²	109.4	49%	0.488	54%	0.536	S	S	.	.	H	α-helix	trans	-61.9	-42.3	173.8	0	0	0	0	0	111	Q160 R167 A168	Q160-A164 WeakPolarHBondContact O-CB 3.34Å; Q160-A164 PolarHBondContact O-N 3.17Å; A164-R167 PolarHBondContact O-N 3.49Å; A164-A168 WeakPolarHBondContact O-CB 3.3Å; A164-A168 PolarHBondContact O-N 3.42Å
165	M	82.6	Confident	83.7	Confident	138 Å²	138	107.3 Å²	107.3	68%	0.68	53%	0.531	S	S	*	.	H	α-helix	trans	-63.4	-43.2	175.9	-157.2	-167.6	-60.7	0	0	111.5	K161 Q162 E163 A168 T169	K161-M165 WeakPolarHBondContact O-CB 3.46Å; K161-M165 PolarHBondContact O-N 2.94Å; Q162-M165 PolarHBondContact O-N 2.75Å; E163-M165 VanDerWaalsContact C-N 3.33Å; M165-A168 PolarHBondContact O-N 2.94Å; M165-T169 PolarHBondContact O-N 3.07Å; M165-T169 PolarHBondContact O-OG1 2.96Å
166	R	83.2	Confident	83.7	Confident	177 Å²	177	105.3 Å²	105.3	67%	0.668	52%	0.524	S	S	*	.	H	α-helix	trans	-63.4	-44.9	174.1	-85.1	-173.9	173.4	161.5	-0.1	112.9	Q162 E163 A168 T169 I170	Q162-R166 WeakPolarHBondContact O-CB 3.48Å; Q162-R166 PolarHBondContact O-N 3.43Å; E163-R166 PolarHBondContact O-N 3.09Å; R166-A168 VanDerWaalsContact C-N 3.33Å; R166-T169 VanDerWaalsContact CA-OG1 3.31Å; R166-T169 WeakPolarHBondContact CA-OG1 3.5Å; R166-T169 PolarHBondContact O-N 3.5Å; R166-T169 PolarHBondContact O-OG1 3.35Å; R166-I170 VanDerWaalsContact O-CG1 3.29Å; R166-I170 WeakPolarHBondContact O-CG1 3.36Å; R166-I170 PolarHBondContact O-N 3.1Å
167	R	83.7	Confident	83.6	Confident	172 Å²	172	107.5 Å²	107.5	65%	0.649	53%	0.528	S	S	*	.	H	α-helix	trans	-60.8	-44.7	176.6	-77.5	-178.6	-175.8	-169.9	4.1	110.6	E163 A164 T169 I170 E171	E163-R167 WeakPolarHBondContact O-CB 3.47Å; E163-R167 WeakPolarHBondContact O-CG 3.43Å; E163-R167 PolarHBondContact O-N 3.16Å; A164-R167 PolarHBondContact O-N 3.49Å; R167-T169 VanDerWaalsContact C-N 3.31Å; R167-T169 PolarHBondContact O-N 2.87Å; R167-I170 PolarHBondContact O-N 2.76Å; R167-E171 WeakPolarHBondContact O-CB 3.41Å; R167-E171 PolarHBondContact O-N 2.93Å
168	A	86.4	Confident	83.3	Confident	54 Å²	54	108.7 Å²	108.7	45%	0.446	53%	0.533	S	S	.	.	H	α-helix	trans	-62.4	-36.4	174.6	0	0	0	0	0	112.4	A164 M165 R166 F172	A164-A168 WeakPolarHBondContact O-CB 3.3Å; A164-A168 PolarHBondContact O-N 3.42Å; M165-A168 PolarHBondContact O-N 2.94Å; R166-A168 VanDerWaalsContact C-N 3.33Å; A168-F172 VanDerWaalsContact O-CB 3.29Å; A168-F172 WeakPolarHBondContact O-CB 3.45Å; A168-F172 PolarHBondContact O-N 3.25Å
169	T	85.1	Confident	83.3	Confident	86 Å²	86	112.9 Å²	112.9	53%	0.528	54%	0.544	S	S	.	.	H	α-helix	trans	-68.5	-42.3	175.1	-1.2	0	0	0	0	111.9	M165 R166 R167 F172 E173	M165-T169 PolarHBondContact O-N 3.07Å; M165-T169 PolarHBondContact O-OG1 2.96Å; R166-T169 VanDerWaalsContact CA-OG1 3.31Å; R166-T169 WeakPolarHBondContact CA-OG1 3.5Å; R166-T169 PolarHBondContact O-N 3.5Å; R166-T169 PolarHBondContact O-OG1 3.35Å; R167-T169 VanDerWaalsContact C-N 3.31Å; R167-T169 PolarHBondContact O-N 2.87Å; T169-F172 PolarHBondContact O-N 3.46Å; T169-E173 WeakPolarHBondContact O-CB 3.32Å; T169-E173 PolarHBondContact O-N 2.87Å
170	I	80.9	Confident	83.2	Confident	109 Å²	109	113.7 Å²	113.7	56%	0.559	55%	0.547	S	S	*	.	H	α-helix	trans	-67.7	-42.3	178.1	-67.3	166.1	0	0	0	110.8	R166 R167 E173 S174	R166-I170 VanDerWaalsContact O-CG1 3.29Å; R166-I170 WeakPolarHBondContact O-CG1 3.36Å; R166-I170 PolarHBondContact O-N 3.1Å; R167-I170 PolarHBondContact O-N 2.76Å; I170-E173 PolarHBondContact O-N 2.88Å; I170-S174 VanDerWaalsContact O-CB 3.26Å; I170-S174 WeakPolarHBondContact O-CB 3.08Å; I170-S174 PolarHBondContact O-N 2.69Å; I170-S174 PolarHBondContact O-OG 2.97Å
171	E	82.8	Confident	83.1	Confident	128 Å²	128	112.9 Å²	112.9	60%	0.598	54%	0.543	S	S	*	.	H	α-helix	trans	-60	-47.8	173.9	-89.7	-179.5	156.9	0	0	110.5	R167 E173 S174 D175	R167-E171 WeakPolarHBondContact O-CB 3.41Å; R167-E171 PolarHBondContact O-N 2.93Å; E171-E173 VanDerWaalsContact C-N 3.34Å; E171-E173 PolarHBondContact O-N 2.92Å; E171-S174 CarbonylContact O-C 3.57Å; E171-S174 PolarHBondContact O-N 2.91Å; E171-S174 PolarHBondContact O-OG 3.03Å; E171-D175 WeakPolarHBondContact O-CB 3.45Å; E171-D175 PolarHBondContact O-N 2.79Å
172	F	84.4	Confident	82.7	Confident	143 Å²	143	110.4 Å²	110.4	63%	0.627	54%	0.535	S	S	*	.	H	α-helix	trans	-59.7	-43.6	177.1	-176.9	-99.6	0	0	0	112.2	A168 T169 D175 L176	A168-F172 VanDerWaalsContact O-CB 3.29Å; A168-F172 WeakPolarHBondContact O-CB 3.45Å; A168-F172 PolarHBondContact O-N 3.25Å; T169-F172 PolarHBondContact O-N 3.46Å; F172-D175 PolarHBondContact O-N 3.46Å; F172-L176 HydrophobicContact CD1-CD1 4.49Å; F172-L176 HydrophobicContact CE1-CD1 3.8Å; F172-L176 HydrophobicContact CE2-CD1 4.45Å; F172-L176 HydrophobicContact CZ-CD1 3.78Å; F172-L176 WeakPolarHBondContact O-CB 3.35Å; F172-L176 PolarHBondContact O-N 3.4Å
173	E	81.5	Confident	82.9	Confident	99 Å²	99	111.3 Å²	111.3	46%	0.463	54%	0.537	S	S	.	.	H	α-helix	trans	-67.4	-39.2	176.7	-160.6	-174.5	163.2	0	0	111.7	T169 I170 E171 L176 R177	T169-E173 WeakPolarHBondContact O-CB 3.32Å; T169-E173 PolarHBondContact O-N 2.87Å; I170-E173 PolarHBondContact O-N 2.88Å; E171-E173 VanDerWaalsContact C-N 3.34Å; E171-E173 PolarHBondContact O-N 2.92Å; E173-L176 PolarHBondContact O-N 3.4Å; E173-R177 WeakPolarHBondContact O-CG 3.15Å; E173-R177 PolarHBondContact O-N 3.28Å; E173-R177 IonicContact OE1-CZ 3.59Å; E173-R177 IonicContact OE1-NE 2.7Å; E173-R177 IonicContact OE1-NH2 2.66Å; E173-R177 PolarHBondContact OE1-NH2 2.8Å
174	S	80.7	Confident	82.9	Confident	55 Å²	55	113.2 Å²	113.2	39%	0.385	55%	0.546	S	S	.	.	H	α-helix	trans	-66.8	-39.6	176.5	83.1	0	0	0	0	111.9	I170 E171 L176 R177 H178	I170-S174 VanDerWaalsContact O-CB 3.26Å; I170-S174 WeakPolarHBondContact O-CB 3.08Å; I170-S174 PolarHBondContact O-N 2.69Å; I170-S174 PolarHBondContact O-OG 2.97Å; E171-S174 CarbonylContact O-C 3.57Å; E171-S174 PolarHBondContact O-N 2.91Å; E171-S174 PolarHBondContact O-OG 3.03Å; S174-L176 VanDerWaalsContact C-N 3.33Å; S174-L176 PolarHBondContact O-N 3.49Å; S174-R177 PolarHBondContact O-N 3.35Å; S174-H178 VanDerWaalsContact O-CB 3.26Å; S174-H178 WeakPolarHBondContact O-CB 3.26Å; S174-H178 PolarHBondContact O-N 3.09Å
175	D	85.1	Confident	82.5	Confident	95 Å²	95	114.4 Å²	114.4	51%	0.508	54%	0.543	S	S	.	.	H	α-helix	trans	-66.5	-37.9	175.9	-85.4	-6.8	0	0	0	110.7	E171 F172 K179	E171-D175 WeakPolarHBondContact O-CB 3.45Å; E171-D175 PolarHBondContact O-N 2.79Å; F172-D175 PolarHBondContact O-N 3.46Å; D175-K179 WeakPolarHBondContact O-CB 3.42Å; D175-K179 VanDerWaalsContact O-CG 3.28Å; D175-K179 WeakPolarHBondContact O-CG 3.39Å; D175-K179 PolarHBondContact O-N 3.01Å
176	L	83.2	Confident	82.5	Confident	85 Å²	85	113.7 Å²	113.7	45%	0.445	54%	0.538	S	S	.	.	H	α-helix	trans	-65.6	-44	174.8	-134.4	109.9	0	0	0	111.1	F172 E173 S174 K179 N180	F172-L176 HydrophobicContact CD1-CD1 4.49Å; F172-L176 HydrophobicContact CE1-CD1 3.8Å; F172-L176 HydrophobicContact CE2-CD1 4.45Å; F172-L176 HydrophobicContact CZ-CD1 3.78Å; F172-L176 WeakPolarHBondContact O-CB 3.35Å; F172-L176 PolarHBondContact O-N 3.4Å; E173-L176 PolarHBondContact O-N 3.4Å; S174-L176 VanDerWaalsContact C-N 3.33Å; S174-L176 PolarHBondContact O-N 3.49Å; L176-K179 PolarHBondContact O-N 3.05Å; L176-N180 WeakPolarHBondContact O-CB 3.45Å; L176-N180 VanDerWaalsContact O-CG 3.3Å; L176-N180 PolarHBondContact O-N 3.26Å; L176-N180 PolarHBondContact O-ND2 3.43Å
177	R	82.3	Confident	82.3	Confident	149 Å²	149	108.4 Å²	108.4	56%	0.562	53%	0.532	S	S	*	.	H	α-helix	trans	-62.5	-46.7	174.4	-73	178	-170.5	-168.3	4.7	111.1	E173 S174 K179 N180 E181	E173-R177 WeakPolarHBondContact O-CG 3.15Å; E173-R177 PolarHBondContact O-N 3.28Å; E173-R177 IonicContact OE1-CZ 3.59Å; E173-R177 IonicContact OE1-NE 2.7Å; E173-R177 IonicContact OE1-NH2 2.66Å; E173-R177 PolarHBondContact OE1-NH2 2.8Å; S174-R177 PolarHBondContact O-N 3.35Å; R177-K179 VanDerWaalsContact C-N 3.33Å; R177-K179 PolarHBondContact O-N 2.92Å; R177-N180 CarbonylContact O-C 3.45Å; R177-N180 PolarHBondContact O-N 3.14Å; R177-N180 VanDerWaalsContact O-N 3.09Å; R177-E181 WeakPolarHBondContact O-CB 3.1Å; R177-E181 WeakPolarHBondContact O-CG 3.02Å; R177-E181 PolarHBondContact O-N 3.37Å
178	H	81.4	Confident	82	Confident	114 Å²	114	107.1 Å²	107.1	53%	0.528	53%	0.531	S	S	.	.	H	α-helix	trans	-65.1	-35.9	179.8	-155.9	-48	0	0	0	111.5	S174 M182	S174-H178 VanDerWaalsContact O-CB 3.26Å; S174-H178 WeakPolarHBondContact O-CB 3.26Å; S174-H178 PolarHBondContact O-N 3.09Å; H178-M182 WeakPolarHBondContact O-CB 3.43Å; H178-M182 WeakPolarHBondContact O-CG 3.37Å; H178-M182 PolarHBondContact O-N 2.83Å
179	K	84.4	Confident	81.5	Confident	143 Å²	143	109 Å²	109	62%	0.622	53%	0.533	S	S	*	.	H	α-helix	trans	-66.2	-40.7	170.9	-78.8	176.9	-174	173.2	0	112.2	D175 L176 R177 K183	D175-K179 WeakPolarHBondContact O-CB 3.42Å; D175-K179 VanDerWaalsContact O-CG 3.28Å; D175-K179 WeakPolarHBondContact O-CG 3.39Å; D175-K179 PolarHBondContact O-N 3.01Å; L176-K179 PolarHBondContact O-N 3.05Å; R177-K179 VanDerWaalsContact C-N 3.33Å; R177-K179 PolarHBondContact O-N 2.92Å; K179-K183 WeakPolarHBondContact O-CG 3.38Å; K179-K183 PolarHBondContact O-N 3.38Å
180	N	84.1	Confident	81.4	Confident	83 Å²	83	114.2 Å²	114.2	44%	0.444	54%	0.543	S	S	.	.	H	α-helix	trans	-68.7	-43.4	177.7	-75.5	-24.9	0	0	0	111.9	L176 R177 K183 Q184	L176-N180 WeakPolarHBondContact O-CB 3.45Å; L176-N180 VanDerWaalsContact O-CG 3.3Å; L176-N180 PolarHBondContact O-N 3.26Å; L176-N180 PolarHBondContact O-ND2 3.43Å; R177-N180 CarbonylContact O-C 3.45Å; R177-N180 PolarHBondContact O-N 3.14Å; R177-N180 VanDerWaalsContact O-N 3.09Å; N180-K183 PolarHBondContact O-N 3.34Å; N180-Q184 WeakPolarHBondContact O-CG 3.35Å; N180-Q184 PolarHBondContact O-N 3Å
181	E	81	Confident	81.1	Confident	110 Å²	110	110.9 Å²	110.9	51%	0.514	54%	0.536	S	S	.	.	H	α-helix	trans	-63.8	-43.2	173.5	-75.6	179.9	176.2	0	0	111.2	R177 K183 Q184 I185	R177-E181 WeakPolarHBondContact O-CB 3.1Å; R177-E181 WeakPolarHBondContact O-CG 3.02Å; R177-E181 PolarHBondContact O-N 3.37Å; E181-K183 VanDerWaalsContact C-N 3.31Å; E181-K183 PolarHBondContact O-N 3.21Å; E181-Q184 CarbonylContact O-C 3.47Å; E181-Q184 PolarHBondContact O-N 3.21Å; E181-Q184 VanDerWaalsContact O-N 3.09Å; E181-I185 WeakPolarHBondContact O-CB 3.25Å; E181-I185 VanDerWaalsContact O-CG1 3.29Å; E181-I185 WeakPolarHBondContact O-CG1 3.31Å; E181-I185 PolarHBondContact O-N 3.4Å
182	M	78.3	Confident	80.6	Confident	98 Å²	98	109.9 Å²	109.9	48%	0.483	53%	0.531	S	S	.	.	H	α-helix	trans	-59.7	-41.1	174.1	-81.2	-65.8	-64.5	0	0	111.9	H178 Q184 I185 E186	H178-M182 WeakPolarHBondContact O-CB 3.43Å; H178-M182 WeakPolarHBondContact O-CG 3.37Å; H178-M182 PolarHBondContact O-N 2.83Å; M182-Q184 VanDerWaalsContact C-N 3.34Å; M182-Q184 PolarHBondContact O-N 3.18Å; M182-I185 PolarHBondContact O-N 3.41Å; M182-E186 WeakPolarHBondContact O-CB 3.32Å; M182-E186 PolarHBondContact O-N 2.64Å
183	K	84	Confident	79.7	Confident	141 Å²	141	104.6 Å²	104.6	61%	0.613	51%	0.514	S	S	*	.	H	α-helix	trans	-63.7	-38.8	173.7	-77.9	179.4	178.8	-179	0	112.5	K179 N180 E181 A187	K179-K183 WeakPolarHBondContact O-CG 3.38Å; K179-K183 PolarHBondContact O-N 3.38Å; N180-K183 PolarHBondContact O-N 3.34Å; E181-K183 VanDerWaalsContact C-N 3.31Å; E181-K183 PolarHBondContact O-N 3.21Å; K183-A187 WeakPolarHBondContact O-CB 3.3Å; K183-A187 PolarHBondContact O-N 2.96Å
184	Q	80.9	Confident	79.5	Confident	140 Å²	140	102.4 Å²	102.4	65%	0.654	51%	0.513	S	S	*	.	H	α-helix	trans	-68.3	-44.8	176.2	-73.2	-176.5	11.1	0	0	111.7	N180 E181 M182 A187 K188	N180-Q184 WeakPolarHBondContact O-CG 3.35Å; N180-Q184 PolarHBondContact O-N 3Å; E181-Q184 CarbonylContact O-C 3.47Å; E181-Q184 PolarHBondContact O-N 3.21Å; E181-Q184 VanDerWaalsContact O-N 3.09Å; M182-Q184 VanDerWaalsContact C-N 3.34Å; M182-Q184 PolarHBondContact O-N 3.18Å; Q184-A187 PolarHBondContact O-N 3.08Å; Q184-K188 WeakPolarHBondContact O-CB 3.46Å; Q184-K188 PolarHBondContact O-N 2.68Å
185	I	77.2	Confident	78.7	Confident	84 Å²	84	103.6 Å²	103.6	43%	0.431	52%	0.517	S	S	.	.	H	α-helix	trans	-62.9	-44.4	175.8	-68.4	167.7	0	0	0	109.6	E181 M182 A187 K188 I189	E181-I185 WeakPolarHBondContact O-CB 3.25Å; E181-I185 VanDerWaalsContact O-CG1 3.29Å; E181-I185 WeakPolarHBondContact O-CG1 3.31Å; E181-I185 PolarHBondContact O-N 3.4Å; M182-I185 PolarHBondContact O-N 3.41Å; I185-A187 VanDerWaalsContact C-N 3.35Å; I185-A187 PolarHBondContact O-N 3.34Å; I185-K188 CarbonylContact O-C 3.58Å; I185-K188 PolarHBondContact O-N 3.33Å; I185-K188 VanDerWaalsContact O-N 3.15Å; I185-I189 HydrophobicContact CG2-CD1 3.52Å; I185-I189 HydrophobicContact CG2-CG1 4Å; I185-I189 WeakPolarHBondContact O-CB 3.26Å; I185-I189 VanDerWaalsContact O-CG1 3.26Å; I185-I189 WeakPolarHBondContact O-CG1 3.41Å; I185-I189 PolarHBondContact O-N 2.87Å
186	E	81.3	Confident	77.5	Confident	122 Å²	122	103.3 Å²	103.3	57%	0.57	51%	0.513	S	S	*	.	H	α-helix	trans	-62	-42.1	176.4	-170.1	-179.1	-174.4	0	0	111.2	M182 K188 R190	M182-E186 WeakPolarHBondContact O-CB 3.32Å; M182-E186 PolarHBondContact O-N 2.64Å; E186-K188 VanDerWaalsContact C-N 3.34Å; E186-K188 PolarHBondContact O-N 3.26Å; E186-R190 WeakPolarHBondContact O-CB 3.44Å; E186-R190 PolarHBondContact O-N 3.06Å
187	A	79.2	Confident	76.6	Confident	67 Å²	67	108.5 Å²	108.5	55%	0.554	53%	0.527	S	S	*	.	H	α-helix	trans	-62.7	-39.9	173.3	0	0	0	0	0	112.3	K183 Q184 I185 R190 G191	K183-A187 WeakPolarHBondContact O-CB 3.3Å; K183-A187 PolarHBondContact O-N 2.96Å; Q184-A187 PolarHBondContact O-N 3.08Å; I185-A187 VanDerWaalsContact C-N 3.35Å; I185-A187 PolarHBondContact O-N 3.34Å; A187-R190 PolarHBondContact O-N 3.49Å; A187-G191 PolarHBondContact O-N 3.2Å; A187-G191 VanDerWaalsContact O-N 3.08Å
188	K	78.5	Confident	75.6	Confident	144 Å²	144	109.3 Å²	109.3	63%	0.626	54%	0.537	S	S	*	.	H	α-helix	trans	-69.9	-47.5	179	-146.1	-178.1	-172.6	-172.2	0	111.8	Q184 I185 E186 R190 G191 E192	Q184-K188 WeakPolarHBondContact O-CB 3.46Å; Q184-K188 PolarHBondContact O-N 2.68Å; I185-K188 CarbonylContact O-C 3.58Å; I185-K188 PolarHBondContact O-N 3.33Å; I185-K188 VanDerWaalsContact O-N 3.15Å; E186-K188 VanDerWaalsContact C-N 3.34Å; E186-K188 PolarHBondContact O-N 3.26Å; K188-R190 VanDerWaalsContact C-N 3.29Å; K188-R190 PolarHBondContact O-N 3.31Å; K188-G191 CarbonylContact O-C 3.43Å; K188-G191 WeakPolarHBondContact O-CA 3.33Å; K188-G191 PolarHBondContact O-N 3.19Å; K188-G191 VanDerWaalsContact O-N 3.12Å; K188-E192 WeakPolarHBondContact O-CG 3.43Å; K188-E192 PolarHBondContact O-N 2.98Å
189	I	75.8	Confident	74.5	Confident	95 Å²	95	107.7 Å²	107.7	49%	0.487	53%	0.532	S	S	.	.	H	α-helix	trans	-60.3	-39.1	173.5	-70.1	176.1	0	0	0	110.1	I185 G191 E192 A193	I185-I189 HydrophobicContact CG2-CD1 3.52Å; I185-I189 HydrophobicContact CG2-CG1 4Å; I185-I189 WeakPolarHBondContact O-CB 3.26Å; I185-I189 VanDerWaalsContact O-CG1 3.26Å; I185-I189 WeakPolarHBondContact O-CG1 3.41Å; I185-I189 PolarHBondContact O-N 2.87Å; I189-G191 VanDerWaalsContact C-N 3.3Å; I189-G191 PolarHBondContact O-N 3.12Å; I189-E192 PolarHBondContact O-N 3.38Å; I189-A193 WeakPolarHBondContact O-CA 3.45Å; I189-A193 WeakPolarHBondContact O-CB 3.48Å; I189-A193 PolarHBondContact O-N 3.08Å
190	R	81.3	Confident	72.9	Confident	195 Å²	195	109.1 Å²	109.1	74%	0.736	53%	0.533	S	S	*	.	H	α-helix	trans	-66.4	-35.2	177.2	-158.8	176.5	-166.4	164.9	2.7	111.8	E186 A187 K188 A194	E186-R190 WeakPolarHBondContact O-CB 3.44Å; E186-R190 PolarHBondContact O-N 3.06Å; A187-R190 PolarHBondContact O-N 3.49Å; K188-R190 VanDerWaalsContact C-N 3.29Å; K188-R190 PolarHBondContact O-N 3.31Å; R190-A194 PolarHBondContact O-N 3.2Å
191	G	74.8	Confident	71.5	Confident	39 Å²	39	113.7 Å²	113.7	40%	0.402	55%	0.552	S	S	.	*	H	α-helix	trans	-67.6	-49.1	170.5	0	0	0	0	0	112.6	A187 K188 I189 A193 A194 V195	A187-G191 PolarHBondContact O-N 3.2Å; A187-G191 VanDerWaalsContact O-N 3.08Å; K188-G191 CarbonylContact O-C 3.43Å; K188-G191 WeakPolarHBondContact O-CA 3.33Å; K188-G191 PolarHBondContact O-N 3.19Å; K188-G191 VanDerWaalsContact O-N 3.12Å; I189-G191 VanDerWaalsContact C-N 3.3Å; I189-G191 PolarHBondContact O-N 3.12Å; G191-A193 PolarHBondContact O-N 3.13Å; G191-A194 WeakPolarHBondContact O-CB 3.47Å; G191-A194 PolarHBondContact O-N 3.1Å; G191-A194 VanDerWaalsContact O-N 3.17Å; G191-V195 WeakPolarHBondContact O-CG2 3.43Å; G191-V195 PolarHBondContact O-N 2.96Å; G191-V195 VanDerWaalsContact O-N 3.15Å
192	E	74	Confident	70.1	Confident	107 Å²	107	114.7 Å²	114.7	50%	0.5	56%	0.56	S	S	.	*	H	α-helix	trans	-63.9	-38.3	177.4	-73	174.1	-179.4	0	0	111.9	K188 I189 A194 V195 E196	K188-E192 WeakPolarHBondContact O-CG 3.43Å; K188-E192 PolarHBondContact O-N 2.98Å; I189-E192 PolarHBondContact O-N 3.38Å; E192-A194 VanDerWaalsContact C-N 3.28Å; E192-A194 PolarHBondContact O-N 3.26Å; E192-V195 CarbonylContact O-C 3.58Å; E192-V195 WeakPolarHBondContact O-CA 3.47Å; E192-V195 WeakPolarHBondContact O-CB 3.4Å; E192-V195 PolarHBondContact O-N 2.97Å; E192-V195 VanDerWaalsContact O-N 3.11Å; E192-E196 VanDerWaalsContact O-CB 3.23Å; E192-E196 WeakPolarHBondContact O-CB 3.37Å; E192-E196 PolarHBondContact O-N 3.44Å
193	A	65.5	Low	68.8	Low	32 Å²	32	117.5 Å²	117.5	26%	0.264	57%	0.566	S	S	.	*	H	α-helix	trans	-67.4	-27.3	175.6	0	0	0	0	0	112.4	I189 G191 R197	I189-A193 WeakPolarHBondContact O-CA 3.45Å; I189-A193 WeakPolarHBondContact O-CB 3.48Å; I189-A193 PolarHBondContact O-N 3.08Å; G191-A193 PolarHBondContact O-N 3.13Å; A193-R197 WeakPolarHBondContact O-CB 3.35Å; A193-R197 WeakPolarHBondContact O-CG 3.39Å; A193-R197 PolarHBondContact O-N 3.14Å
194	A	76.7	Confident	67.5	Low	53 Å²	53	115.4 Å²	115.4	44%	0.438	56%	0.56	S	S	.	*	H	α-helix	trans	-69.2	-43.6	169.4	0	0	0	0	0	110.7	R190 G191 E192 E196 R197 E198	R190-A194 PolarHBondContact O-N 3.2Å; G191-A194 WeakPolarHBondContact O-CB 3.47Å; G191-A194 PolarHBondContact O-N 3.1Å; G191-A194 VanDerWaalsContact O-N 3.17Å; E192-A194 VanDerWaalsContact C-N 3.28Å; E192-A194 PolarHBondContact O-N 3.26Å; A194-E196 VanDerWaalsContact C-N 3.33Å; A194-E196 PolarHBondContact O-N 2.92Å; A194-R197 PolarHBondContact O-N 2.8Å; A194-E198 PolarHBondContact O-N 3.34Å
195	V	63.4	Low	66.3	Low	80 Å²	80	116.4 Å²	116.4	49%	0.485	57%	0.565	S	S	.	*	H	α-helix	trans	-67.9	-30.8	175.4	177.8	0	0	0	0	112.2	G191 E192 E198 N199	G191-V195 WeakPolarHBondContact O-CG2 3.43Å; G191-V195 PolarHBondContact O-N 2.96Å; G191-V195 VanDerWaalsContact O-N 3.15Å; E192-V195 CarbonylContact O-C 3.58Å; E192-V195 WeakPolarHBondContact O-CA 3.47Å; E192-V195 WeakPolarHBondContact O-CB 3.4Å; E192-V195 PolarHBondContact O-N 2.97Å; E192-V195 VanDerWaalsContact O-N 3.11Å; V195-E198 PolarHBondContact O-N 2.82Å; V195-N199 PolarHBondContact O-N 3.49Å; V195-N199 PolarHBondContact O-ND2 3.35Å
196	E	59.7	Low	65.4	Low	89 Å²	89	121.9 Å²	121.9	42%	0.416	58%	0.58	S	S	.	*	H	α-helix	trans	-83.5	-24.6	-179.9	-163.2	165	-149.9	0	0	112	E192 A194 E198 N199 R200 R203	E192-E196 VanDerWaalsContact O-CB 3.23Å; E192-E196 WeakPolarHBondContact O-CB 3.37Å; E192-E196 PolarHBondContact O-N 3.44Å; A194-E196 VanDerWaalsContact C-N 3.33Å; A194-E196 PolarHBondContact O-N 2.92Å; E196-E198 VanDerWaalsContact C-N 3.28Å; E196-N199 CarbonylContact O-C 3.47Å; E196-N199 PolarHBondContact O-N 2.91Å; E196-R200 WeakPolarHBondContact O-CA 3.31Å; E196-R200 PolarHBondContact O-N 3.33Å; E196-R203 IonicContact OE1-CZ 2.73Å; E196-R203 IonicContact OE1-NE 3.94Å; E196-R203 IonicContact OE1-NH1 3.32Å; E196-R203 PolarHBondContact OE1-NH1 2.73Å
197	R	65.1	Low	64.2	Low	194 Å²	194	119.2 Å²	119.2	73%	0.732	58%	0.579	S	S	*	*	H	α-helix	trans	-64.2	-34.9	165.7	-80	171.2	-165.6	-178.7	4.5	111.7	A193 A194 R200	A193-R197 WeakPolarHBondContact O-CB 3.35Å; A193-R197 WeakPolarHBondContact O-CG 3.39Å; A193-R197 PolarHBondContact O-N 3.14Å; A194-R197 PolarHBondContact O-N 2.8Å; R197-R200 WeakPolarHBondContact O-CB 3.27Å
198	E	61	Low	63.3	Low	166 Å²	166	125.2 Å²	125.2	78%	0.776	59%	0.587	S	S	*	*	H	α-helix	trans	-71.3	-30.3	172.4	-70.6	-177.6	157.5	0	0	112.2	A194 V195 E196	A194-E198 PolarHBondContact O-N 3.34Å; V195-E198 PolarHBondContact O-N 2.82Å; E196-E198 VanDerWaalsContact C-N 3.28Å
199	N	59.3	Low	62.4	Low	79 Å²	79	122.6 Å²	122.6	42%	0.422	58%	0.583	S	S	.	*	T	Hydrogen-bonded Turn	trans	-98.4	12.4	-179.5	-71.6	-55.7	0	0	0	114.8	V195 E196 E201 L202	V195-N199 PolarHBondContact O-N 3.49Å; V195-N199 PolarHBondContact O-ND2 3.35Å; E196-N199 CarbonylContact O-C 3.47Å; E196-N199 PolarHBondContact O-N 2.91Å; N199-E201 VanDerWaalsContact C-N 3.28Å; N199-E201 PolarHBondContact O-N 3.5Å; N199-L202 PolarHBondContact O-N 3.17Å
200	R	50.3	Low	61.7	Low	173 Å²	173	123.2 Å²	123.2	65%	0.653	59%	0.588	S	S	*	*	H	α-helix	trans	-62.6	-28.3	-167.6	-169.4	176.5	179	-171.8	-0.8	114.3	E196 R197 L204	E196-R200 WeakPolarHBondContact O-CA 3.31Å; E196-R200 PolarHBondContact O-N 3.33Å; R197-R200 WeakPolarHBondContact O-CB 3.27Å; R200-L204 HydrophobicContact CG-CD1 4.36Å
201	E	54.7	Low	60.5	Low	179 Å²	179	116.7 Å²	116.7	84%	0.836	58%	0.575	S	S	*	*	H	α-helix	trans	-71.6	-28.4	-178.8	-74.3	-175.1	150.4	0	0	113.1	N199	N199-E201 VanDerWaalsContact C-N 3.28Å; N199-E201 PolarHBondContact O-N 3.5Å
202	L	51.9	Low	59.9	Low	131 Å²	131	124.6 Å²	124.6	69%	0.686	59%	0.593	S	S	*	*	H	α-helix	trans	-84.8	-17.2	-172.3	-80.9	155.1	0	0	0	115	N199	N199-L202 PolarHBondContact O-N 3.17Å
203	R	51	Low	59.3	Low	158 Å²	158	126.1 Å²	126.1	60%	0.596	60%	0.6	S	S	*	*	H	α-helix	trans	-101.4	-24.5	-176.6	-85.9	-174.3	171.8	134.2	5.1	114.9	E196 E205 R206 A207	E196-R203 IonicContact OE1-CZ 2.73Å; E196-R203 IonicContact OE1-NE 3.94Å; E196-R203 IonicContact OE1-NH1 3.32Å; E196-R203 PolarHBondContact OE1-NH1 2.73Å; R203-E205 PolarHBondContact O-N 3.41Å; R203-R206 PolarHBondContact O-N 2.68Å; R203-A207 PolarHBondContact O-N 3.01Å
204	L	55.1	Low	58.9	Low	96 Å²	96	133 Å²	133	50%	0.503	62%	0.621	S	S	.	*	T	Hydrogen-bonded Turn	trans	-63.2	-25.6	-178.3	-97.2	159.5	0	0	0	113.4	R200	R200-L204 HydrophobicContact CG-CD1 4.36Å
205	E	56.7	Low	58.1	Low	161 Å²	161	140 Å²	140	75%	0.752	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.7	-38.2	175.2	-76.2	-171.7	143.9	0	0	113.3	R203	R203-E205 PolarHBondContact O-N 3.41Å
206	R	57.6	Low	57.9	Low	200 Å²	200	143.6 Å²	143.6	76%	0.755	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.6	-39.4	-178.1	-75.3	178.4	176.5	161.5	-0	112.9	R203 R208 V209	R203-R206 PolarHBondContact O-N 2.68Å; R206-R208 VanDerWaalsContact C-N 3.31Å; R206-R208 PolarHBondContact O-N 2.91Å; R206-V209 PolarHBondContact O-N 2.75Å
207	A	55.9	Low	58.1	Low	65 Å²	65	143.6 Å²	143.6	54%	0.537	65%	0.653	S	S	.	*	H	α-helix	trans	-70	-19.5	-175.6	0	0	0	0	0	115.1	R203 V209	R203-A207 PolarHBondContact O-N 3.01Å; A207-V209 VanDerWaalsContact C-N 3.35Å
208	R	62.1	Low	57.6	Low	193 Å²	193	137.5 Å²	137.5	73%	0.728	64%	0.637	S	S	*	*	H	α-helix	trans	-76.3	-22.6	176.8	-85.3	-178.7	174.4	163.9	-0.2	113.4	R206	R206-R208 VanDerWaalsContact C-N 3.31Å; R206-R208 PolarHBondContact O-N 2.91Å
209	V	59.8	Low	57.5	Low	90 Å²	90	135.6 Å²	135.6	55%	0.545	63%	0.632	S	S	.	*	H	α-helix	trans	-82	-47.8	-178.9	-178.4	0	0	0	0	109.8	R206 A207 A211 R212	R206-V209 PolarHBondContact O-N 2.75Å; A207-V209 VanDerWaalsContact C-N 3.35Å; V209-A211 PolarHBondContact O-N 2.9Å; V209-R212 PolarHBondContact O-N 3.07Å
210	D	59.8	Low	57.6	Low	108 Å²	108	138.5 Å²	138.5	58%	0.578	64%	0.643	S	S	*	*	H	α-helix	trans	-69.1	-27.9	-175.3	-58.8	-18.5	0	0	0	114	R212	D210-R212 VanDerWaalsContact C-N 3.3Å; D210-R212 PolarHBondContact O-N 3.03Å
211	A	56.4	Low	58.1	Low	58 Å²	58	133.7 Å²	133.7	48%	0.479	64%	0.636	S	S	.	*	H	α-helix	trans	-74.6	-14.4	-178	0	0	0	0	0	114.4	V209	V209-A211 PolarHBondContact O-N 2.9Å
212	R	62.6	Low	58.4	Low	205 Å²	205	130.5 Å²	130.5	77%	0.774	62%	0.623	S	S	*	*	H	α-helix	trans	-86.6	-32.2	178.1	-74.9	-177.8	176.8	172.3	-0.6	112.6	V209 D210	V209-R212 PolarHBondContact O-N 3.07Å; D210-R212 VanDerWaalsContact C-N 3.3Å; D210-R212 PolarHBondContact O-N 3.03Å
213	E	60.5	Low	58.8	Low	139 Å²	139	129 Å²	129	65%	0.65	62%	0.619	S	S	*	*	H	α-helix	trans	-79.9	-32.9	-174.8	-65.2	-175.2	165.9	0	0	113.3	T217	E213-T217 PolarHBondContact O-OG1 3.3Å
214	Y	58.3	Low	59.1	Low	177 Å²	177	125.4 Å²	125.4	69%	0.694	62%	0.616	S	S	*	*	H	α-helix	trans	-77.7	-22.8	-175.6	-157.3	-97	0	0	0	114.5	V218	Y214-V218 HydrophobicContact CD1-CG2 4.43Å; Y214-V218 HydrophobicContact CE1-CG2 4.19Å
215	R	59.4	Low	59.2	Low	200 Å²	200	123.6 Å²	123.6	76%	0.755	61%	0.614	S	S	*	*	H	α-helix	trans	-77.2	-28.2	-179.8	-88.4	-177	-175.7	152.2	2.4	113.7
216	Q	59.1	Low	59.1	Low	155 Å²	155	118.3 Å²	118.3	72%	0.724	60%	0.603	S	S	*	*	H	α-helix	trans	-77.1	-37.6	-178.9	-84.5	179	-36.7	0	0	112.4	V218	Q216-V218 PolarHBondContact O-N 3.38Å
217	T	62.7	Low	59.1	Low	88 Å²	88	111.9 Å²	111.9	54%	0.54	59%	0.589	S	S	.	*	H	α-helix	trans	-69	-34.9	-176.1	12.5	0	0	0	0	113.8	E213	E213-T217 PolarHBondContact O-OG1 3.3Å
218	V	56.5	Low	59.2	Low	66 Å²	66	113.6 Å²	113.6	40%	0.4	59%	0.592	S	S	.	*	H	α-helix	trans	-74.9	-36.7	-177	178.7	0	0	0	0	112	Y214 Q216 E220 S221 I222	Y214-V218 HydrophobicContact CD1-CG2 4.43Å; Y214-V218 HydrophobicContact CE1-CG2 4.19Å; Q216-V218 PolarHBondContact O-N 3.38Å; V218-E220 PolarHBondContact O-N 2.98Å; V218-S221 PolarHBondContact O-OG 3.44Å; V218-I222 HydrophobicContact CG1-CD1 4.14Å
219	L	58.7	Low	59	Low	126 Å²	126	109.8 Å²	109.8	66%	0.66	59%	0.585	S	S	*	*	H	α-helix	trans	-71.5	-29.5	-177.5	-76.4	168.2	0	0	0	113.5	T223	L219-T223 PolarHBondContact O-OG1 2.89Å
220	E	61.5	Low	58.8	Low	140 Å²	140	107.5 Å²	107.5	65%	0.654	58%	0.579	S	S	*	*	H	α-helix	trans	-77	-30.4	-179.9	-137.7	169.3	-166.6	0	0	112.4	V218 T223 T224	V218-E220 PolarHBondContact O-N 2.98Å; E220-T223 PolarHBondContact O-OG1 2.98Å; E220-T224 PolarHBondContact O-OG1 2.89Å
221	S	60.4	Low	58.8	Low	72 Å²	72	107.4 Å²	107.4	50%	0.503	58%	0.579	S	S	.	*	H	α-helix	trans	-73.4	-34.3	179.8	70.2	0	0	0	0	114.1	V218 A225	V218-S221 PolarHBondContact O-OG 3.44Å; S221-A225 PolarHBondContact O-N 3.38Å
222	I	59.6	Low	59.1	Low	113 Å²	113	106.7 Å²	106.7	58%	0.579	58%	0.578	S	S	*	*	H	α-helix	trans	-77	-36.9	-175.1	-64.8	171.3	0	0	0	111.6	V218 G226	V218-I222 HydrophobicContact CG1-CD1 4.14Å; I222-G226 PolarHBondContact O-N 2.88Å
223	T	61.5	Low	59.2	Low	98 Å²	98	101.6 Å²	101.6	60%	0.601	57%	0.565	S	S	*	*	H	α-helix	trans	-71.9	-32.9	179.8	50	0	0	0	0	112.3	L219 E220	L219-T223 PolarHBondContact O-OG1 2.89Å; E220-T223 PolarHBondContact O-OG1 2.98Å
224	T	58.1	Low	59.3	Low	84 Å²	84	97.8 Å²	97.8	52%	0.515	55%	0.553	S	S	.	*	H	α-helix	trans	-72.7	-36.4	178.5	-48.4	0	0	0	0	112.5	E220 S227 V228	E220-T224 PolarHBondContact O-OG1 2.89Å; T224-S227 PolarHBondContact O-OG 2.84Å; T224-V228 WeakPolarHBondContact O-CG2 3.37Å
225	A	56.2	Low	59.6	Low	58 Å²	58	94.5 Å²	94.5	48%	0.479	55%	0.548	S	S	.	.	H	α-helix	trans	-72.1	-33.2	178.1	0	0	0	0	0	113.3	S221	S221-A225 PolarHBondContact O-N 3.38Å
226	G	53.9	Low	59.7	Low	50 Å²	50	87.7 Å²	87.7	52%	0.515	53%	0.526	S	S	.	.	H	α-helix	trans	-71.8	-34.5	-178.9	0	0	0	0	0	114.5	I222 G230	I222-G226 PolarHBondContact O-N 2.88Å; G226-G230 PolarHBondContact O-N 3.35Å
227	S	57.4	Low	60.1	Low	64 Å²	64	86.4 Å²	86.4	45%	0.448	52%	0.523	S	S	.	.	H	α-helix	trans	-76.8	-30.1	-177.2	64.7	0	0	0	0	113.5	T224 N231	T224-S227 PolarHBondContact O-OG 2.84Å; S227-N231 PolarHBondContact O-N 2.97Å; S227-N231 PolarHBondContact O-ND2 3.42Å
228	V	58.8	Low	60.7	Low	102 Å²	102	86 Å²	86	62%	0.618	52%	0.524	S	S	*	.	H	α-helix	trans	-74.2	-35.3	-179.4	179.8	0	0	0	0	111.8	T224 G232	T224-V228 WeakPolarHBondContact O-CG2 3.37Å; V228-G232 PolarHBondContact O-N 3.37Å
229	I	58.3	Low	61.6	Low	113 Å²	113	87 Å²	87	58%	0.579	53%	0.525	S	S	*	.	H	α-helix	trans	-76	-41.5	179.2	-63.5	172.7	0	0	0	111.3	N231 G232 I233	I229-N231 PolarHBondContact O-N 3.14Å; I229-G232 PolarHBondContact O-N 3.21Å; I229-I233 HydrophobicContact CG2-CD1 3.9Å; I229-I233 WeakPolarHBondContact O-CG1 3.16Å; I229-I233 PolarHBondContact O-N 3.39Å
230	G	55.2	Low	62.4	Low	41 Å²	41	85.9 Å²	85.9	42%	0.423	53%	0.525	S	S	.	.	H	α-helix	trans	-63.8	-39.7	-179.5	0	0	0	0	0	113.7	G226 S234	G226-G230 PolarHBondContact O-N 3.35Å; G230-S234 PolarHBondContact O-N 3.16Å; G230-S234 PolarHBondContact O-OG 3.26Å
231	N	60.3	Low	63.3	Low	107 Å²	107	85.5 Å²	85.5	57%	0.572	53%	0.527	S	S	*	.	H	α-helix	trans	-75	-26.2	178.5	-71.8	-23.1	0	0	0	113.3	S227 I229 S234 N235	S227-N231 PolarHBondContact O-N 2.97Å; S227-N231 PolarHBondContact O-ND2 3.42Å; I229-N231 PolarHBondContact O-N 3.14Å; N231-S234 PolarHBondContact O-OG 3Å; N231-N235 WeakPolarHBondContact O-CB 3.37Å; N231-N235 PolarHBondContact O-N 3.49Å
232	G	62.3	Low	64	Low	43 Å²	43	87.5 Å²	87.5	44%	0.443	53%	0.527	S	S	.	.	H	α-helix	trans	-71.5	-40.5	176	0	0	0	0	0	112.9	V228 I229 L236	V228-G232 PolarHBondContact O-N 3.37Å; I229-G232 PolarHBondContact O-N 3.21Å; G232-L236 PolarHBondContact O-N 2.77Å; G232-L236 VanDerWaalsContact O-N 3.15Å
233	I	64.2	Low	64.8	Low	98 Å²	98	84.8 Å²	84.8	50%	0.503	51%	0.512	S	S	.	.	H	α-helix	trans	-74.6	-37.7	-177.7	-63.8	170.2	0	0	0	111.4	I229 L236 L237	I229-I233 HydrophobicContact CG2-CD1 3.9Å; I229-I233 WeakPolarHBondContact O-CG1 3.16Å; I229-I233 PolarHBondContact O-N 3.39Å; I233-L236 PolarHBondContact O-N 2.82Å; I233-L237 HydrophobicContact CG2-CD1 3.93Å; I233-L237 WeakPolarHBondContact O-CG 3.14Å; I233-L237 PolarHBondContact O-N 2.73Å
234	S	63.8	Low	65.7	Low	59 Å²	59	83.3 Å²	83.3	41%	0.413	51%	0.51	S	S	.	.	H	α-helix	trans	-68.4	-35	176.9	63.9	0	0	0	0	112.9	G230 N231 S238	G230-S234 PolarHBondContact O-N 3.16Å; G230-S234 PolarHBondContact O-OG 3.26Å; N231-S234 PolarHBondContact O-OG 3Å; S234-S238 WeakPolarHBondContact O-CB 3.39Å; S234-S238 PolarHBondContact O-N 2.94Å; S234-S238 PolarHBondContact O-OG 2.85Å
235	N	63.7	Low	66.8	Low	108 Å²	108	84.1 Å²	84.1	58%	0.578	52%	0.515	S	S	*	.	H	α-helix	trans	-72.6	-26.4	173	-85.3	-16.9	0	0	0	113.3	N231 S238	N231-N235 WeakPolarHBondContact O-CB 3.37Å; N231-N235 PolarHBondContact O-N 3.49Å; N235-S238 WeakPolarHBondContact CA-OG 3.3Å; N235-S238 PolarHBondContact O-OG 2.87Å
236	L	61.5	Low	67.9	Low	56 Å²	56	84.3 Å²	84.3	29%	0.293	51%	0.51	S	S	.	.	H	α-helix	trans	-76.1	-42.6	174.7	-165.2	76.3	0	0	0	111.1	G232 I233 S238 Q239 K242 M243 V246	G232-L236 PolarHBondContact O-N 2.77Å; G232-L236 VanDerWaalsContact O-N 3.15Å; I233-L236 PolarHBondContact O-N 2.82Å; L236-S238 VanDerWaalsContact C-N 3.29Å; L236-S238 PolarHBondContact O-N 3.38Å; L236-Q239 PolarHBondContact O-N 2.86Å; L236-K242 HydrophobicContact CD1-CB 4.07Å; L236-M243 HydrophobicContact CD2-SD 3.94Å; L236-M243 HydrophobicContact CG-CG 4.5Å; L236-M243 HydrophobicContact CG-SD 3.92Å; L236-M243 VanDerWaalsContact O-CG 3.28Å; L236-M243 WeakPolarHBondContact O-CG 3.29Å; L236-V246 HydrophobicContact CD1-CG2 4.04Å; L236-V246 HydrophobicContact CD2-CG2 4.42Å
237	L	66.8	Low	69.3	Low	128 Å²	128	86.4 Å²	86.4	67%	0.67	51%	0.508	S	S	*	.	H	α-helix	trans	-68.2	-24	179.7	-77.7	164.9	0	0	0	114	I233	I233-L237 HydrophobicContact CG2-CD1 3.93Å; I233-L237 WeakPolarHBondContact O-CG 3.14Å; I233-L237 PolarHBondContact O-N 2.73Å
238	S	75.1	Confident	70.6	Confident	80 Å²	80	85 Å²	85	56%	0.559	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-8.7	-178.1	46.9	0	0	0	0	114.4	S234 N235 L236	S234-S238 WeakPolarHBondContact O-CB 3.39Å; S234-S238 PolarHBondContact O-N 2.94Å; S234-S238 PolarHBondContact O-OG 2.85Å; N235-S238 WeakPolarHBondContact CA-OG 3.3Å; N235-S238 PolarHBondContact O-OG 2.87Å; L236-S238 VanDerWaalsContact C-N 3.29Å; L236-S238 PolarHBondContact O-N 3.38Å
239	Q	76.2	Confident	71.7	Confident	88 Å²	88	83.1 Å²	83.1	41%	0.411	50%	0.495	S	S	.	.			trans	-118	103.3	-179.7	-70.2	-168.9	-26.3	0	0	111.9	L236 D241 K242 M243	L236-Q239 PolarHBondContact O-N 2.86Å; Q239-D241 VanDerWaalsContact C-N 3.27Å; Q239-D241 PolarHBondContact O-N 3.08Å; Q239-K242 HydrophobicContact CB-CB 4.27Å; Q239-K242 HydrophobicContact CB-CD 4.43Å; Q239-K242 HydrophobicContact CB-CG 4.3Å; Q239-K242 PolarHBondContact O-N 2.64Å; Q239-M243 PolarHBondContact O-N 2.8Å
240	P	75.9	Confident	73	Confident	102 Å²	102	83.4 Å²	83.4	66%	0.662	50%	0.498	S	S	*	.	H	α-helix	trans	-59.2	-34.6	-175.1	20.5	-30.6	0	0	0	113.4	M243 A244	P240-M243 PolarHBondContact O-N 3.27Å; P240-A244 PolarHBondContact O-N 3.43Å; P240-A244 VanDerWaalsContact O-N 3.14Å
241	D	80.2	Confident	74.4	Confident	132 Å²	132	85.7 Å²	85.7	71%	0.706	50%	0.504	S	S	*	.	H	α-helix	trans	-68.8	-36.4	-179.4	-61	-26.7	0	0	0	113.3	Q239 T245	Q239-D241 VanDerWaalsContact C-N 3.27Å; Q239-D241 PolarHBondContact O-N 3.08Å; D241-T245 PolarHBondContact O-N 3.17Å; D241-T245 PolarHBondContact O-OG1 2.8Å
242	K	75.4	Confident	75.8	Confident	114 Å²	114	87.2 Å²	87.2	50%	0.496	51%	0.511	S	S	.	.	H	α-helix	trans	-73.1	-36.2	177.8	-70.3	-169.6	-178.4	159	0	111.5	L236 Q239 T245 V246	L236-K242 HydrophobicContact CD1-CB 4.07Å; Q239-K242 HydrophobicContact CB-CB 4.27Å; Q239-K242 HydrophobicContact CB-CD 4.43Å; Q239-K242 HydrophobicContact CB-CG 4.3Å; Q239-K242 PolarHBondContact O-N 2.64Å; K242-T245 PolarHBondContact O-N 3.31Å; K242-V246 WeakPolarHBondContact O-CG2 3.49Å; K242-V246 PolarHBondContact O-N 3.25Å
243	M	75.2	Confident	77	Confident	56 Å²	56	90.9 Å²	90.9	28%	0.276	52%	0.52	S	S	.	.	H	α-helix	trans	-62.4	-44.2	174	-86	-62.9	-59.6	0	0	112.3	L236 Q239 P240 T245 V246 I247	L236-M243 HydrophobicContact CD2-SD 3.94Å; L236-M243 HydrophobicContact CG-CG 4.5Å; L236-M243 HydrophobicContact CG-SD 3.92Å; L236-M243 VanDerWaalsContact O-CG 3.28Å; L236-M243 WeakPolarHBondContact O-CG 3.29Å; Q239-M243 PolarHBondContact O-N 2.8Å; P240-M243 PolarHBondContact O-N 3.27Å; M243-T245 VanDerWaalsContact C-N 3.28Å; M243-T245 PolarHBondContact O-N 2.75Å; M243-V246 PolarHBondContact O-N 2.99Å; M243-I247 HydrophobicContact CE-CD1 3.74Å; M243-I247 HydrophobicContact CE-CG1 4.15Å; M243-I247 WeakPolarHBondContact O-CB 3.46Å; M243-I247 VanDerWaalsContact O-CG1 3.31Å; M243-I247 WeakPolarHBondContact O-CG1 3.14Å; M243-I247 PolarHBondContact O-N 3.09Å
244	A	80.5	Confident	77.9	Confident	66 Å²	66	89 Å²	89	55%	0.545	52%	0.519	S	S	.	.	H	α-helix	trans	-59.6	-39.9	176.7	0	0	0	0	0	112.1	P240 G248	P240-A244 PolarHBondContact O-N 3.43Å; P240-A244 VanDerWaalsContact O-N 3.14Å; A244-G248 PolarHBondContact O-N 3.21Å
245	T	81.4	Confident	78.9	Confident	102 Å²	102	88.4 Å²	88.4	63%	0.626	52%	0.521	S	S	*	.	H	α-helix	trans	-67.9	-41	178.4	-53	0	0	0	0	112.3	D241 K242 M243 G248 S249	D241-T245 PolarHBondContact O-N 3.17Å; D241-T245 PolarHBondContact O-OG1 2.8Å; K242-T245 PolarHBondContact O-N 3.31Å; M243-T245 VanDerWaalsContact C-N 3.28Å; M243-T245 PolarHBondContact O-N 2.75Å; T245-G248 PolarHBondContact O-N 2.89Å; T245-S249 WeakPolarHBondContact O-CB 3.44Å; T245-S249 PolarHBondContact O-N 3.26Å; T245-S249 PolarHBondContact O-OG 2.7Å
246	V	80.3	Confident	79.9	Confident	62 Å²	62	85.4 Å²	85.4	38%	0.376	52%	0.516	S	S	.	.	H	α-helix	trans	-69.4	-42.8	176.8	174.1	0	0	0	0	111.4	L236 K242 M243 G248 S249 L250	L236-V246 HydrophobicContact CD1-CG2 4.04Å; L236-V246 HydrophobicContact CD2-CG2 4.42Å; K242-V246 WeakPolarHBondContact O-CG2 3.49Å; K242-V246 PolarHBondContact O-N 3.25Å; M243-V246 PolarHBondContact O-N 2.99Å; V246-G248 VanDerWaalsContact C-N 3.33Å; V246-G248 PolarHBondContact O-N 2.95Å; V246-S249 PolarHBondContact O-N 2.82Å; V246-S249 PolarHBondContact O-OG 3.29Å; V246-L250 VanDerWaalsContact O-CB 3.31Å; V246-L250 WeakPolarHBondContact O-CB 3.43Å; V246-L250 PolarHBondContact O-N 3.09Å
247	I	81.9	Confident	80.9	Confident	93 Å²	93	87.3 Å²	87.3	48%	0.477	53%	0.53	S	S	.	.	H	α-helix	trans	-63	-43.3	175	-67.9	167.8	0	0	0	110	M243 L250 T251	M243-I247 HydrophobicContact CE-CD1 3.74Å; M243-I247 HydrophobicContact CE-CG1 4.15Å; M243-I247 WeakPolarHBondContact O-CB 3.46Å; M243-I247 VanDerWaalsContact O-CG1 3.31Å; M243-I247 WeakPolarHBondContact O-CG1 3.14Å; M243-I247 PolarHBondContact O-N 3.09Å; I247-L250 PolarHBondContact O-N 3.11Å; I247-T251 WeakPolarHBondContact O-CB 3.33Å; I247-T251 PolarHBondContact O-N 3.49Å; I247-T251 PolarHBondContact O-OG1 3.46Å
248	G	84.8	Confident	81.4	Confident	35 Å²	35	88 Å²	88	36%	0.361	53%	0.525	S	S	.	.	H	α-helix	trans	-60.4	-45.3	176.7	0	0	0	0	0	112.6	A244 T245 V246 T251 L252	A244-G248 PolarHBondContact O-N 3.21Å; T245-G248 PolarHBondContact O-N 2.89Å; V246-G248 VanDerWaalsContact C-N 3.33Å; V246-G248 PolarHBondContact O-N 2.95Å; G248-T251 PolarHBondContact O-N 2.96Å; G248-L252 WeakPolarHBondContact O-CB 3.4Å; G248-L252 PolarHBondContact O-N 2.84Å
249	S	83.1	Confident	81.7	Confident	62 Å²	62	86.3 Å²	86.3	43%	0.434	52%	0.52	S	S	.	.	H	α-helix	trans	-69	-38.9	178.2	68.3	0	0	0	0	112.7	T245 V246 L252 L253	T245-S249 WeakPolarHBondContact O-CB 3.44Å; T245-S249 PolarHBondContact O-N 3.26Å; T245-S249 PolarHBondContact O-OG 2.7Å; V246-S249 PolarHBondContact O-N 2.82Å; V246-S249 PolarHBondContact O-OG 3.29Å; S249-L252 PolarHBondContact O-N 3.26Å; S249-L253 WeakPolarHBondContact O-CB 3.47Å; S249-L253 PolarHBondContact O-N 2.93Å
250	L	84.3	Confident	81.9	Confident	120 Å²	120	84.2 Å²	84.2	63%	0.628	52%	0.517	S	S	*	.	H	α-helix	trans	-65.4	-39.6	174.9	-160.8	81.8	0	0	0	111.4	V246 I247 L253 A254	V246-L250 VanDerWaalsContact O-CB 3.31Å; V246-L250 WeakPolarHBondContact O-CB 3.43Å; V246-L250 PolarHBondContact O-N 3.09Å; I247-L250 PolarHBondContact O-N 3.11Å; L250-L253 PolarHBondContact O-N 3.05Å; L250-A254 VanDerWaalsContact O-CB 3.31Å; L250-A254 WeakPolarHBondContact O-CB 3.45Å; L250-A254 PolarHBondContact O-N 2.7Å
251	T	86.2	Confident	81.8	Confident	89 Å²	89	86.8 Å²	86.8	55%	0.546	52%	0.518	S	S	.	.	H	α-helix	trans	-69	-39.6	176.9	-51.8	0	0	0	0	111.3	I247 G248 A254 G255	I247-T251 WeakPolarHBondContact O-CB 3.33Å; I247-T251 PolarHBondContact O-N 3.49Å; I247-T251 PolarHBondContact O-OG1 3.46Å; G248-T251 PolarHBondContact O-N 2.96Å; T251-A254 PolarHBondContact O-N 3.1Å; T251-G255 PolarHBondContact O-N 3.03Å
252	L	89.1	Confident	81.5	Confident	139 Å²	139	86.8 Å²	86.8	73%	0.728	51%	0.509	S	S	*	.	H	α-helix	trans	-63.1	-43.2	173	-105.1	164.5	0	0	0	111.9	G248 S249 G255 G256	G248-L252 WeakPolarHBondContact O-CB 3.4Å; G248-L252 PolarHBondContact O-N 2.84Å; S249-L252 PolarHBondContact O-N 3.26Å; L252-G255 PolarHBondContact O-N 3.17Å; L252-G256 PolarHBondContact O-N 3.02Å
253	L	86.8	Confident	81.2	Confident	120 Å²	120	83 Å²	83	63%	0.628	50%	0.503	S	S	*	.	H	α-helix	trans	-63.5	-45.2	173.8	-86.8	168.4	0	0	0	111.4	S249 L250 G256 V257	S249-L253 WeakPolarHBondContact O-CB 3.47Å; S249-L253 PolarHBondContact O-N 2.93Å; L250-L253 PolarHBondContact O-N 3.05Å; L253-G256 PolarHBondContact O-N 3.29Å; L253-V257 WeakPolarHBondContact O-CB 3.46Å; L253-V257 VanDerWaalsContact O-CG2 3.23Å; L253-V257 WeakPolarHBondContact O-CG2 3.03Å; L253-V257 PolarHBondContact O-N 3.24Å
254	A	83.7	Confident	80.8	Confident	59 Å²	59	85.6 Å²	85.6	49%	0.488	52%	0.517	S	S	.	.	H	α-helix	trans	-62.2	-43.9	176.8	0	0	0	0	0	111.7	L250 T251 V257 Y258	L250-A254 VanDerWaalsContact O-CB 3.31Å; L250-A254 WeakPolarHBondContact O-CB 3.45Å; L250-A254 PolarHBondContact O-N 2.7Å; T251-A254 PolarHBondContact O-N 3.1Å; A254-V257 PolarHBondContact O-N 2.81Å; A254-Y258 VanDerWaalsContact O-CB 3.24Å; A254-Y258 WeakPolarHBondContact O-CB 3.4Å; A254-Y258 PolarHBondContact O-N 3.45Å
255	G	85.4	Confident	79.9	Confident	45 Å²	45	84.4 Å²	84.4	46%	0.464	51%	0.51	S	S	.	.	H	α-helix	trans	-63.6	-40.6	174.8	0	0	0	0	0	112.6	T251 L252 G259	T251-G255 PolarHBondContact O-N 3.03Å; L252-G255 PolarHBondContact O-N 3.17Å; G255-G259 WeakPolarHBondContact O-CA 3.44Å; G255-G259 PolarHBondContact O-N 3Å
256	G	84.7	Confident	78.8	Confident	45 Å²	45	84.2 Å²	84.2	46%	0.464	51%	0.509	S	S	.	.	H	α-helix	trans	-65.8	-43.7	174.5	0	0	0	0	0	112.8	L252 L253 A260	L252-G256 PolarHBondContact O-N 3.02Å; L253-G256 PolarHBondContact O-N 3.29Å; G256-A260 WeakPolarHBondContact O-CB 3.4Å; G256-A260 PolarHBondContact O-N 2.96Å
257	V	81.2	Confident	77.9	Confident	96 Å²	96	88 Å²	88	58%	0.582	52%	0.521	S	S	*	.	H	α-helix	trans	-67.8	-41.9	176.9	171.6	0	0	0	0	111.2	L253 A254 K261	L253-V257 WeakPolarHBondContact O-CB 3.46Å; L253-V257 VanDerWaalsContact O-CG2 3.23Å; L253-V257 WeakPolarHBondContact O-CG2 3.03Å; L253-V257 PolarHBondContact O-N 3.24Å; A254-V257 PolarHBondContact O-N 2.81Å; V257-K261 VanDerWaalsContact O-CB 3.24Å; V257-K261 WeakPolarHBondContact O-CB 3.45Å; V257-K261 PolarHBondContact O-N 3.18Å
258	Y	78.1	Confident	76.8	Confident	143 Å²	143	85.5 Å²	85.5	56%	0.561	52%	0.515	S	S	*	.	H	α-helix	trans	-67.7	-47.6	176.5	-164.5	-87.9	0	0	0	110.8	A254 A260 K261 Y262	A254-Y258 VanDerWaalsContact O-CB 3.24Å; A254-Y258 WeakPolarHBondContact O-CB 3.4Å; A254-Y258 PolarHBondContact O-N 3.45Å; Y258-A260 VanDerWaalsContact C-N 3.32Å; Y258-A260 PolarHBondContact O-N 3.32Å; Y258-K261 PolarHBondContact O-N 3.11Å; Y258-K261 VanDerWaalsContact O-N 3.16Å; Y258-Y262 AromaticContact CD1-CD2 3.63Å; Y258-Y262 HydrophobicContact CD1-CD2 3.63Å; Y258-Y262 AromaticContact CD1-CE2 3.94Å; Y258-Y262 HydrophobicContact CD1-CE2 3.94Å; Y258-Y262 HydrophobicContact CD2-CD2 4Å; Y258-Y262 AromaticContact CD2-CE2 3.54Å; Y258-Y262 HydrophobicContact CD2-CE2 3.54Å; Y258-Y262 AromaticContact CE1-CD2 3.47Å; Y258-Y262 HydrophobicContact CE1-CD2 3.47Å; Y258-Y262 VanDerWaalsContact CE1-CD2 3.47Å; Y258-Y262 AromaticContact CE1-CE2 3.55Å; Y258-Y262 HydrophobicContact CE1-CE2 3.55Å; Y258-Y262 HydrophobicContact CE1-CG 4.14Å; Y258-Y262 AromaticContact CE2-CD2 3.87Å; Y258-Y262 HydrophobicContact CE2-CD2 3.87Å; Y258-Y262 AromaticContact CE2-CE2 3.12Å; Y258-Y262 HydrophobicContact CE2-CE2 3.12Å; Y258-Y262 AromaticContact CE2-CZ 3.73Å; Y258-Y262 AromaticContact CG-CD2 3.89Å; Y258-Y262 HydrophobicContact CG-CD2 3.89Å; Y258-Y262 AromaticContact CG-CE2 3.93Å; Y258-Y262 HydrophobicContact CG-CE2 3.93Å; Y258-Y262 AromaticContact CZ-CD2 3.59Å; Y258-Y262 AromaticContact CZ-CE2 3.11Å; Y258-Y262 AromaticContact CZ-CZ 3.51Å; Y258-Y262 VanDerWaalsContact O-CD2 3.31Å; Y258-Y262 WeakPolarHBondContact O-CD2 3.39Å; Y258-Y262 PolarHBondContact O-N 3.44Å; Y258-Y262 PolarHBondContact OH-OH 3.36Å
259	G	82	Confident	75.5	Confident	45 Å²	45	91.5 Å²	91.5	46%	0.464	53%	0.531	S	S	.	.	H	α-helix	trans	-56.9	-43.2	174.5	0	0	0	0	0	112.5	G255 G263	G255-G259 WeakPolarHBondContact O-CA 3.44Å; G255-G259 PolarHBondContact O-N 3Å; G259-G263 WeakPolarHBondContact O-CA 3.48Å; G259-G263 PolarHBondContact O-N 2.67Å
260	A	79.9	Confident	74.3	Confident	43 Å²	43	92.8 Å²	92.8	36%	0.355	54%	0.536	S	S	.	.	H	α-helix	trans	-64.3	-49	173.1	0	0	0	0	0	111.5	G256 Y258 Y262 I264	G256-A260 WeakPolarHBondContact O-CB 3.4Å; G256-A260 PolarHBondContact O-N 2.96Å; Y258-A260 VanDerWaalsContact C-N 3.32Å; Y258-A260 PolarHBondContact O-N 3.32Å; A260-Y262 PolarHBondContact O-N 2.87Å; A260-I264 HydrophobicContact CB-CD1 3.88Å; A260-I264 WeakPolarHBondContact O-CB 3.37Å; A260-I264 VanDerWaalsContact O-CD1 3.26Å; A260-I264 WeakPolarHBondContact O-CD1 3.03Å; A260-I264 WeakPolarHBondContact O-CG1 3.49Å; A260-I264 PolarHBondContact O-N 2.93Å
261	K	73.9	Confident	73.1	Confident	157 Å²	157	90 Å²	90	68%	0.683	52%	0.521	S	S	*	.	H	α-helix	trans	-60.3	-42.8	-176.7	-170.8	175.8	-179.2	-179	0	112.8	V257 Y258	V257-K261 VanDerWaalsContact O-CB 3.24Å; V257-K261 WeakPolarHBondContact O-CB 3.45Å; V257-K261 PolarHBondContact O-N 3.18Å; Y258-K261 PolarHBondContact O-N 3.11Å; Y258-K261 VanDerWaalsContact O-N 3.16Å
262	Y	72.8	Confident	71.7	Confident	131 Å²	131	92.2 Å²	92.2	51%	0.514	53%	0.525	S	S	.	.	H	α-helix	trans	-86.1	-35.3	-179.6	-71.7	-93.3	0	0	0	113	Y258 A260 T266	Y258-Y262 AromaticContact CD1-CD2 3.63Å; Y258-Y262 HydrophobicContact CD1-CD2 3.63Å; Y258-Y262 AromaticContact CD1-CE2 3.94Å; Y258-Y262 HydrophobicContact CD1-CE2 3.94Å; Y258-Y262 HydrophobicContact CD2-CD2 4Å; Y258-Y262 AromaticContact CD2-CE2 3.54Å; Y258-Y262 HydrophobicContact CD2-CE2 3.54Å; Y258-Y262 AromaticContact CE1-CD2 3.47Å; Y258-Y262 HydrophobicContact CE1-CD2 3.47Å; Y258-Y262 VanDerWaalsContact CE1-CD2 3.47Å; Y258-Y262 AromaticContact CE1-CE2 3.55Å; Y258-Y262 HydrophobicContact CE1-CE2 3.55Å; Y258-Y262 HydrophobicContact CE1-CG 4.14Å; Y258-Y262 AromaticContact CE2-CD2 3.87Å; Y258-Y262 HydrophobicContact CE2-CD2 3.87Å; Y258-Y262 AromaticContact CE2-CE2 3.12Å; Y258-Y262 HydrophobicContact CE2-CE2 3.12Å; Y258-Y262 AromaticContact CE2-CZ 3.73Å; Y258-Y262 AromaticContact CG-CD2 3.89Å; Y258-Y262 HydrophobicContact CG-CD2 3.89Å; Y258-Y262 AromaticContact CG-CE2 3.93Å; Y258-Y262 HydrophobicContact CG-CE2 3.93Å; Y258-Y262 AromaticContact CZ-CD2 3.59Å; Y258-Y262 AromaticContact CZ-CE2 3.11Å; Y258-Y262 AromaticContact CZ-CZ 3.51Å; Y258-Y262 VanDerWaalsContact O-CD2 3.31Å; Y258-Y262 WeakPolarHBondContact O-CD2 3.39Å; Y258-Y262 PolarHBondContact O-N 3.44Å; Y258-Y262 PolarHBondContact OH-OH 3.36Å; A260-Y262 PolarHBondContact O-N 2.87Å; Y262-T266 PolarHBondContact O-OG1 3.12Å
263	G	70.5	Confident	69.9	Low	35 Å²	35	89.9 Å²	89.9	36%	0.361	52%	0.52	S	S	.	.	H	α-helix	trans	-70.7	-40	177.2	0	0	0	0	0	113.1	G259 G265 T266 F267	G259-G263 WeakPolarHBondContact O-CA 3.48Å; G259-G263 PolarHBondContact O-N 2.67Å; G263-G265 VanDerWaalsContact C-N 3.34Å; G263-G265 PolarHBondContact O-N 2.89Å; G263-T266 PolarHBondContact O-OG1 3.18Å; G263-T266 VanDerWaalsContact O-OG1 3.11Å; G263-F267 WeakPolarHBondContact O-CB 3.25Å; G263-F267 PolarHBondContact O-N 2.97Å; G263-F267 VanDerWaalsContact O-N 3.1Å
264	I	65.7	Low	68.3	Low	111 Å²	111	93 Å²	93	57%	0.569	52%	0.524	S	S	*	.	H	α-helix	trans	-65	-38.9	177.8	-66.7	166	0	0	0	110.3	A260 T266 A268	A260-I264 HydrophobicContact CB-CD1 3.88Å; A260-I264 WeakPolarHBondContact O-CB 3.37Å; A260-I264 VanDerWaalsContact O-CD1 3.26Å; A260-I264 WeakPolarHBondContact O-CD1 3.03Å; A260-I264 WeakPolarHBondContact O-CG1 3.49Å; A260-I264 PolarHBondContact O-N 2.93Å; I264-T266 PolarHBondContact O-N 2.85Å; I264-A268 WeakPolarHBondContact O-CA 3.31Å; I264-A268 WeakPolarHBondContact O-CB 3.47Å; I264-A268 PolarHBondContact O-N 2.87Å
265	G	61.7	Low	67.2	Low	40 Å²	40	93.1 Å²	93.1	41%	0.412	52%	0.515	S	S	.	.	H	α-helix	trans	-64.9	-39.6	-178.7	0	0	0	0	0	114.1	G263 K269	G263-G265 VanDerWaalsContact C-N 3.34Å; G263-G265 PolarHBondContact O-N 2.89Å; G265-K269 PolarHBondContact O-N 3.21Å
266	T	58.7	Low	66.3	Low	98 Å²	98	91.7 Å²	91.7	60%	0.601	50%	0.501	S	S	*	.	H	α-helix	trans	-75.4	-42	178.3	52.3	0	0	0	0	111.7	Y262 G263 I264 K269 V270	Y262-T266 PolarHBondContact O-OG1 3.12Å; G263-T266 PolarHBondContact O-OG1 3.18Å; G263-T266 VanDerWaalsContact O-OG1 3.11Å; I264-T266 PolarHBondContact O-N 2.85Å; T266-K269 PolarHBondContact O-N 3Å; T266-V270 PolarHBondContact O-N 3.3Å
267	F	60.9	Low	66.1	Low	141 Å²	141	94.2 Å²	94.2	62%	0.618	50%	0.499	S	S	*	.	H	α-helix	trans	-66.6	-38.7	175.7	-160.8	-112.6	0	0	0	111.8	G263 V270 I271	G263-F267 WeakPolarHBondContact O-CB 3.25Å; G263-F267 PolarHBondContact O-N 2.97Å; G263-F267 VanDerWaalsContact O-N 3.1Å; F267-V270 PolarHBondContact O-N 3.42Å; F267-I271 HydrophobicContact CD1-CD1 3.28Å; F267-I271 HydrophobicContact CD1-CG1 4.17Å; F267-I271 HydrophobicContact CE1-CD1 3.27Å; F267-I271 HydrophobicContact CE1-CG1 4.14Å; F267-I271 HydrophobicContact CG-CD1 4.18Å; F267-I271 HydrophobicContact CZ-CD1 4.13Å; F267-I271 WeakPolarHBondContact O-CB 3.41Å; F267-I271 VanDerWaalsContact O-CG1 3.29Å; F267-I271 WeakPolarHBondContact O-CG1 3.31Å; F267-I271 PolarHBondContact O-N 3.32Å
268	A	60.3	Low	66.2	Low	42 Å²	42	90.5 Å²	90.5	35%	0.347	48%	0.477	S	S	.	.	H	α-helix	trans	-61.6	-44	176.8	0	0	0	0	0	112	I264 V270 I271 E272	I264-A268 WeakPolarHBondContact O-CA 3.31Å; I264-A268 WeakPolarHBondContact O-CB 3.47Å; I264-A268 PolarHBondContact O-N 2.87Å; A268-V270 VanDerWaalsContact C-N 3.35Å; A268-V270 PolarHBondContact O-N 2.88Å; A268-I271 PolarHBondContact O-N 3.34Å; A268-E272 WeakPolarHBondContact O-CB 3.46Å; A268-E272 PolarHBondContact O-N 2.94Å
269	K	56.5	Low	66.5	Low	161 Å²	161	88.7 Å²	88.7	70%	0.7	49%	0.491	S	S	*	.	H	α-helix	trans	-63.3	-38.4	176.7	-79.9	-172.9	176.3	-178.9	0	113	G265 T266 E272 S273	G265-K269 PolarHBondContact O-N 3.21Å; T266-K269 PolarHBondContact O-N 3Å; K269-E272 PolarHBondContact O-N 3.14Å; K269-S273 PolarHBondContact O-N 3.18Å
270	V	57.1	Low	66.7	Low	88 Å²	88	86.9 Å²	86.9	53%	0.533	47%	0.471	S	S	.	.	H	α-helix	trans	-68.6	-43.5	177.4	175.3	0	0	0	0	110.8	T266 F267 A268 S273 R274	T266-V270 PolarHBondContact O-N 3.3Å; F267-V270 PolarHBondContact O-N 3.42Å; A268-V270 VanDerWaalsContact C-N 3.35Å; A268-V270 PolarHBondContact O-N 2.88Å; V270-S273 PolarHBondContact O-N 3.41Å; V270-S273 PolarHBondContact O-OG 3.34Å; V270-R274 PolarHBondContact O-N 2.84Å
271	I	59.3	Low	67.1	Low	62 Å²	62	85 Å²	85	32%	0.318	46%	0.455	S	S	.	.	H	α-helix	trans	-60.8	-48.6	173.3	-73	173.2	0	0	0	110.2	F267 A268 S273 R274 I275	F267-I271 HydrophobicContact CD1-CD1 3.28Å; F267-I271 HydrophobicContact CD1-CG1 4.17Å; F267-I271 HydrophobicContact CE1-CD1 3.27Å; F267-I271 HydrophobicContact CE1-CG1 4.14Å; F267-I271 HydrophobicContact CG-CD1 4.18Å; F267-I271 HydrophobicContact CZ-CD1 4.13Å; F267-I271 WeakPolarHBondContact O-CB 3.41Å; F267-I271 VanDerWaalsContact O-CG1 3.29Å; F267-I271 WeakPolarHBondContact O-CG1 3.31Å; F267-I271 PolarHBondContact O-N 3.32Å; A268-I271 PolarHBondContact O-N 3.34Å; I271-S273 VanDerWaalsContact C-N 3.25Å; I271-S273 PolarHBondContact O-N 2.86Å; I271-R274 PolarHBondContact O-N 2.77Å; I271-I275 HydrophobicContact CB-CD1 4.15Å; I271-I275 HydrophobicContact CG1-CD1 4.21Å; I271-I275 HydrophobicContact CG2-CB 4.18Å; I271-I275 HydrophobicContact CG2-CD1 3.53Å; I271-I275 HydrophobicContact CG2-CG1 4.39Å; I271-I275 WeakPolarHBondContact O-CA 3.48Å; I271-I275 VanDerWaalsContact O-CB 3.23Å; I271-I275 WeakPolarHBondContact O-CB 3.43Å; I271-I275 PolarHBondContact O-N 3.02Å
272	E	56.7	Low	67.8	Low	136 Å²	136	84.1 Å²	84.1	64%	0.636	45%	0.447	S	S	*	.	H	α-helix	trans	-59.6	-37.9	-178.1	-170.3	173.7	-164	0	0	111.3	A268 K269 R274 G276	A268-E272 WeakPolarHBondContact O-CB 3.46Å; A268-E272 PolarHBondContact O-N 2.94Å; K269-E272 PolarHBondContact O-N 3.14Å; E272-R274 PolarHBondContact O-N 2.8Å; E272-G276 WeakPolarHBondContact O-CA 3.41Å; E272-G276 PolarHBondContact O-N 3.3Å
273	S	51.9	Low	68.5	Low	90 Å²	90	81.3 Å²	81.3	63%	0.629	44%	0.439	S	S	*	.	H	α-helix	trans	-70.1	-28.8	176.5	75	0	0	0	0	114.7	K269 V270 I271	K269-S273 PolarHBondContact O-N 3.18Å; V270-S273 PolarHBondContact O-N 3.41Å; V270-S273 PolarHBondContact O-OG 3.34Å; I271-S273 VanDerWaalsContact C-N 3.25Å; I271-S273 PolarHBondContact O-N 2.86Å
274	R	53.5	Low	69.3	Low	186 Å²	186	81.1 Å²	81.1	70%	0.702	43%	0.431	S	S	*	.	H	α-helix	trans	-100.5	-26.8	-176.9	-74.6	-164.6	177	-162	1.2	114.2	V270 I271 E272	V270-R274 PolarHBondContact O-N 2.84Å; I271-R274 PolarHBondContact O-N 2.77Å; E272-R274 PolarHBondContact O-N 2.8Å
275	I	60.5	Low	70.3	Confident	60 Å²	60	77.2 Å²	77.2	31%	0.308	41%	0.413	S	S	.	.	H	α-helix	trans	-114.9	-27.9	-172.3	-62.7	157.9	0	0	0	110.1	I271 I289	I271-I275 HydrophobicContact CB-CD1 4.15Å; I271-I275 HydrophobicContact CG1-CD1 4.21Å; I271-I275 HydrophobicContact CG2-CB 4.18Å; I271-I275 HydrophobicContact CG2-CD1 3.53Å; I271-I275 HydrophobicContact CG2-CG1 4.39Å; I271-I275 WeakPolarHBondContact O-CA 3.48Å; I271-I275 VanDerWaalsContact O-CB 3.23Å; I271-I275 WeakPolarHBondContact O-CB 3.43Å; I271-I275 PolarHBondContact O-N 3.02Å; I275-I289 HydrophobicContact CD1-CD1 3.9Å; I275-I289 HydrophobicContact CG2-CB 4.33Å; I275-I289 HydrophobicContact CG2-CD1 3.92Å; I275-I289 HydrophobicContact CG2-CG1 3.87Å
276	G	66.9	Low	71.1	Confident	15 Å²	15	77.4 Å²	77.4	16%	0.155	40%	0.402	C	S	.	.	S	Bend	trans	-67	144.8	177	0	0	0	0	0	112.8	E272 W394	E272-G276 WeakPolarHBondContact O-CA 3.41Å; E272-G276 PolarHBondContact O-N 3.3Å; G276-W394 PolarHBondContact O-NE1 2.8Å
277	K	79.8	Confident	71.5	Confident	99 Å²	99	76.3 Å²	76.3	43%	0.43	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-64.1	123.8	173.9	175	-177.2	166.7	-172.6	0	109	V281 R282 T284	K277-V281 WeakPolarHBondContact CE-O 3.36Å; K277-V281 HydrophobicContact CG-CB 4Å; K277-V281 HydrophobicContact CG-CG1 4.13Å; K277-V281 PolarHBondContact NZ-O 3.07Å; K277-R282 PolarHBondContact NZ-O 3.21Å; K277-T284 HydrophobicContact CD-CG2 3.83Å; K277-T284 HydrophobicContact CG-CG2 4.06Å
278	P	83.5	Confident	71.6	Confident	18 Å²	18	71 Å²	71	12%	0.117	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-59	147	176.6	-20.8	30	0	0	0	111.4	L280 V281 V391 W394	P278-L280 PolarHBondContact O-N 3.35Å; P278-L280 VanDerWaalsContact O-N 3.14Å; P278-V281 HydrophobicContact CB-CG2 4.13Å; P278-V281 HydrophobicContact CG-CG2 4.09Å; P278-V281 WeakPolarHBondContact O-CB 3.36Å; P278-V281 PolarHBondContact O-N 2.9Å; P278-V391 HydrophobicContact CB-CG2 3.86Å; P278-V391 HydrophobicContact CG-CG2 4.3Å; P278-W394 HydrophobicContact CG-CB 3.72Å; P278-W394 HydrophobicContact CG-CD2 3.78Å; P278-W394 HydrophobicContact CG-CE3 4.12Å; P278-W394 HydrophobicContact CG-CG 3.62Å
279	A	83.8	Confident	71.7	Confident	104 Å²	104	73.8 Å²	73.8	86%	0.86	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-32.8	-177	0	0	0	0	0	113.9	V281	A279-V281 VanDerWaalsContact C-N 3.31Å; A279-V281 PolarHBondContact O-N 3.4Å
280	L	87.3	Confident	72	Confident	7 Å²	7	69.7 Å²	69.7	4%	0.037	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-19.1	178	-76.6	178.6	0	0	0	114.5	P278 R282 L372 D376 I377 M380 A387 V388 V391	P278-L280 PolarHBondContact O-N 3.35Å; P278-L280 VanDerWaalsContact O-N 3.14Å; L280-R282 PolarHBondContact O-N 3.02Å; L280-L372 HydrophobicContact CB-CD2 3.89Å; L280-D376 HydrophobicContact CD2-CB 4.25Å; L280-I377 HydrophobicContact CD1-CD1 4.41Å; L280-I377 HydrophobicContact CD1-CG1 3.97Å; L280-I377 HydrophobicContact CD2-CG1 3.63Å; L280-I377 HydrophobicContact CG-CG1 4.42Å; L280-M380 HydrophobicContact CD1-SD 4.5Å; L280-M380 HydrophobicContact CD2-SD 3.58Å; L280-M380 VanDerWaalsContact CD2-SD 3.58Å; L280-M380 HydrophobicContact CG-SD 4.16Å; L280-A387 HydrophobicContact CD1-CB 3.39Å; L280-A387 HydrophobicContact CG-CB 3.85Å; L280-V388 HydrophobicContact CD1-CG2 4.44Å; L280-V391 HydrophobicContact CB-CG2 3.88Å; L280-V391 HydrophobicContact CD1-CG2 4.08Å
281	V	88.9	Confident	72.3	Confident	4 Å²	4	69.1 Å²	69.1	2%	0.024	36%	0.36	C	S	.	.			trans	-80.3	113	179.2	178.5	0	0	0	0	106.8	K277 P278 A279 E283 T284 A370 I371 L372 V391 W394	K277-V281 WeakPolarHBondContact CE-O 3.36Å; K277-V281 HydrophobicContact CG-CB 4Å; K277-V281 HydrophobicContact CG-CG1 4.13Å; K277-V281 PolarHBondContact NZ-O 3.07Å; P278-V281 HydrophobicContact CB-CG2 4.13Å; P278-V281 HydrophobicContact CG-CG2 4.09Å; P278-V281 WeakPolarHBondContact O-CB 3.36Å; P278-V281 PolarHBondContact O-N 2.9Å; A279-V281 VanDerWaalsContact C-N 3.31Å; A279-V281 PolarHBondContact O-N 3.4Å; V281-E283 VanDerWaalsContact CG1-O 3.25Å; V281-E283 WeakPolarHBondContact CG1-O 3.38Å; V281-T284 HydrophobicContact CG1-CG2 4.26Å; V281-A370 HydrophobicContact CG1-CB 3.85Å; V281-A370 HydrophobicContact CG2-CB 4.32Å; V281-I371 CarbonylContact C-O 3.59Å; V281-L372 HydrophobicContact CG2-CD1 4.48Å; V281-L372 HydrophobicContact CG2-CG 4.38Å; V281-V391 HydrophobicContact CG2-CG2 4.32Å; V281-W394 HydrophobicContact CG2-CZ3 4.23Å
282	R	87.8	Confident	72.6	Confident	139 Å²	139	68.6 Å²	68.6	53%	0.525	36%	0.36	S	S	.	.	S	Bend	trans	-75.8	-41.5	175.9	-73.9	-174	170	-177.1	-2.6	111.8	K277 L280 I371 D376	K277-R282 PolarHBondContact NZ-O 3.21Å; L280-R282 PolarHBondContact O-N 3.02Å; R282-I371 PolarHBondContact N-O 2.96Å; R282-D376 IonicContact CZ-OD1 3.16Å; R282-D376 IonicContact CZ-OD2 3.86Å; R282-D376 VanDerWaalsContact CZ-OD2 3.32Å; R282-D376 IonicContact NE-OD1 2.88Å; R282-D376 IonicContact NE-OD2 3.78Å; R282-D376 PolarHBondContact NE-OD2 2.96Å; R282-D376 VanDerWaalsContact NH2-CG 3.29Å; R282-D376 IonicContact NH2-OD1 2.64Å; R282-D376 PolarHBondContact NH2-OD1 3.36Å; R282-D376 IonicContact NH2-OD2 3.83Å; R282-D376 PolarHBondContact NH2-OD2 3.28Å; R282-D376 VanDerWaalsContact NH2-OD2 3.13Å
283	E	87.7	Confident	73	Confident	72 Å²	72	67.1 Å²	67.1	34%	0.336	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	144	-177.8	-163.3	-176	153.6	0	0	110.1	V281 K359 Y369 A370 I371	V281-E283 VanDerWaalsContact CG1-O 3.25Å; V281-E283 WeakPolarHBondContact CG1-O 3.38Å; E283-K359 WeakPolarHBondContact OE1-CE 3.33Å; E283-K359 IonicContact OE1-NZ 2.69Å; E283-K359 PolarHBondContact OE1-NZ 3.16Å; E283-K359 WeakPolarHBondContact OE2-CE 3.48Å; E283-K359 IonicContact OE2-NZ 2.76Å; E283-K359 PolarHBondContact OE2-NZ 3.19Å; E283-Y369 HydrophobicContact CG-CE2 4.01Å; E283-Y369 PolarHBondContact OE1-OH 2.9Å; E283-A370 CarbonylContact O-C 3.6Å; E283-A370 WeakPolarHBondContact O-CA 3.37Å; E283-I371 HydrophobicContact CB-CB 4.27Å; E283-I371 HydrophobicContact CB-CD1 4.36Å; E283-I371 PolarHBondContact O-N 3.39Å
284	T	88.1	Confident	74	Confident	31 Å²	31	71.3 Å²	71.3	19%	0.19	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	145.7	177.9	173.6	0	0	0	0	110.7	K277 V281 R286 Y369 W394	K277-T284 HydrophobicContact CD-CG2 3.83Å; K277-T284 HydrophobicContact CG-CG2 4.06Å; V281-T284 HydrophobicContact CG1-CG2 4.26Å; T284-R286 VanDerWaalsContact C-N 3.35Å; T284-R286 WeakPolarHBondContact OG1-CB 3.5Å; T284-R286 PolarHBondContact OG1-N 3.4Å; T284-Y369 WeakPolarHBondContact CA-O 3.43Å; T284-Y369 PolarHBondContact OG1-O 3.46Å; T284-W394 HydrophobicContact CG2-CH2 4.44Å; T284-W394 WeakPolarHBondContact OG1-CH2 3.48Å
285	S	85.1	Confident	74.8	Confident	28 Å²	28	66.9 Å²	66.9	20%	0.196	35%	0.352	C	S	.	.			trans	-87.7	-4	169.5	66.8	0	0	0	0	113.6	L287 D368 Y369	S285-L287 PolarHBondContact O-N 3Å; S285-D368 WeakPolarHBondContact OG-CA 3.41Å; S285-D368 WeakPolarHBondContact OG-CB 3.47Å; S285-Y369 VanDerWaalsContact CB-CE1 3.46Å; S285-Y369 PolarHBondContact N-O 3.38Å; S285-Y369 PolarHBondContact OG-N 3.29Å
286	R	78.4	Confident	75.4	Confident	45 Å²	45	67.9 Å²	67.9	17%	0.17	36%	0.363	C	S	.	.	S	Bend	trans	-64.4	126.2	178.9	-73.2	-168.3	63.4	-171.4	7.2	109.9	T284 N288 D368 W394 T397	T284-R286 VanDerWaalsContact C-N 3.35Å; T284-R286 WeakPolarHBondContact OG1-CB 3.5Å; T284-R286 PolarHBondContact OG1-N 3.4Å; R286-N288 PolarHBondContact O-N 2.83Å; R286-D368 HydrophobicContact CG-CB 3.51Å; R286-D368 WeakPolarHBondContact CG-OD2 3.49Å; R286-W394 HydrophobicContact CB-CH2 4.39Å; R286-W394 HydrophobicContact CB-CZ2 4.07Å; R286-W394 VanDerWaalsContact CD-CZ2 3.49Å; R286-W394 HydrophobicContact CG-CH2 4.12Å; R286-W394 HydrophobicContact CG-CZ2 4.14Å; R286-W394 VanDerWaalsContact NH1-CE2 3.28Å; R286-W394 PolarHBondContact NH1-O 2.83Å; R286-T397 PolarHBondContact NH1-OG1 3.28Å; R286-T397 PolarHBondContact NH2-OG1 2.84Å
287	L	66.8	Low	75.8	Confident	74 Å²	74	74 Å²	74	39%	0.387	39%	0.39	S	S	.	.			trans	-65.4	105.4	172.3	-60.5	174	0	0	0	108.6	S285 T299 V303	S285-L287 PolarHBondContact O-N 3Å; L287-T299 HydrophobicContact CD1-CG2 3.58Å; L287-T299 HydrophobicContact CD2-CG2 3.47Å; L287-T299 VanDerWaalsContact CD2-CG2 3.47Å; L287-T299 HydrophobicContact CG-CG2 4.05Å; L287-V303 HydrophobicContact CD1-CG2 3.6Å
288	N	64.6	Low	75.2	Confident	31 Å²	31	75.8 Å²	75.8	17%	0.166	40%	0.398	C	S	.	.			trans	-75.1	141.5	166.3	-167.8	-5.9	0	0	0	107.9	R286 V290 D291 T292	R286-N288 PolarHBondContact O-N 2.83Å; N288-V290 PolarHBondContact O-N 3.17Å; N288-D291 HydrophobicContact CB-CB 4.22Å; N288-D291 WeakPolarHBondContact CB-OD2 3.41Å; N288-D291 PolarHBondContact O-N 3.04Å; N288-D291 VanDerWaalsContact O-N 3.13Å; N288-T292 WeakPolarHBondContact O-CB 3.25Å; N288-T292 PolarHBondContact O-N 3.47Å; N288-T292 PolarHBondContact O-OG1 3.29Å
289	I	60.8	Low	74.3	Confident	100 Å²	100	75.9 Å²	75.9	51%	0.513	40%	0.398	S	S	.	.	H	α-helix	trans	-57.4	-38.9	178.2	-63	178.6	0	0	0	109.7	I275 D291 T292 C293	I275-I289 HydrophobicContact CD1-CD1 3.9Å; I275-I289 HydrophobicContact CG2-CB 4.33Å; I275-I289 HydrophobicContact CG2-CD1 3.92Å; I275-I289 HydrophobicContact CG2-CG1 3.87Å; I289-D291 PolarHBondContact O-N 2.98Å; I289-T292 WeakPolarHBondContact O-CB 3.49Å; I289-T292 PolarHBondContact O-N 3.07Å; I289-C293 PolarHBondContact O-N 3.19Å; I289-C293 PolarHBondContact O-SG 3.02Å
290	V	64.6	Low	73.6	Confident	74 Å²	74	73.6 Å²	73.6	45%	0.448	38%	0.379	S	S	.	.	H	α-helix	trans	-61.4	-46.1	177.5	-176.2	0	0	0	0	111.7	N288 T292 C293 R294	N288-V290 PolarHBondContact O-N 3.17Å; V290-T292 VanDerWaalsContact C-N 3.33Å; V290-C293 PolarHBondContact O-N 3.07Å; V290-R294 WeakPolarHBondContact O-CG 3.48Å; V290-R294 PolarHBondContact O-N 3.15Å
291	D	63.4	Low	72.8	Confident	77 Å²	77	80.3 Å²	80.3	41%	0.412	41%	0.408	S	S	.	.	H	α-helix	trans	-71.2	-32.5	179.6	-66.7	-34.3	0	0	0	111.8	N288 I289 C293 R294 H295	N288-D291 HydrophobicContact CB-CB 4.22Å; N288-D291 WeakPolarHBondContact CB-OD2 3.41Å; N288-D291 PolarHBondContact O-N 3.04Å; N288-D291 VanDerWaalsContact O-N 3.13Å; I289-D291 PolarHBondContact O-N 2.98Å; D291-C293 VanDerWaalsContact C-N 3.35Å; D291-R294 PolarHBondContact O-N 3.33Å; D291-H295 PolarHBondContact O-N 2.87Å
292	T	64.4	Low	71.8	Confident	51 Å²	51	83.2 Å²	83.2	31%	0.313	43%	0.426	S	S	.	.	H	α-helix	trans	-62.9	-42.5	174.8	-54.3	0	0	0	0	110.9	N288 I289 V290 H295 P296 T299	N288-T292 WeakPolarHBondContact O-CB 3.25Å; N288-T292 PolarHBondContact O-N 3.47Å; N288-T292 PolarHBondContact O-OG1 3.29Å; I289-T292 WeakPolarHBondContact O-CB 3.49Å; I289-T292 PolarHBondContact O-N 3.07Å; V290-T292 VanDerWaalsContact C-N 3.33Å; T292-H295 CarbonylContact O-C 3.59Å; T292-P296 WeakPolarHBondContact O-CA 3.37Å; T292-T299 HydrophobicContact CG2-CG2 3.87Å
293	C	66.1	Low	70.8	Confident	104 Å²	104	80.5 Å²	80.5	70%	0.703	43%	0.425	S	S	*	.	H	α-helix	trans	-69.9	-37.4	175.5	-70.4	0	0	0	0	112.8	I289 V290 D291	I289-C293 PolarHBondContact O-N 3.19Å; I289-C293 PolarHBondContact O-SG 3.02Å; V290-C293 PolarHBondContact O-N 3.07Å; D291-C293 VanDerWaalsContact C-N 3.35Å
294	R	71.8	Confident	69.8	Low	178 Å²	178	84.1 Å²	84.1	67%	0.672	45%	0.446	S	S	*	.	H	α-helix	trans	-72.7	-35.1	179.1	-73.9	179.6	177.2	176.6	-1.1	113	V290 D291	V290-R294 WeakPolarHBondContact O-CG 3.48Å; V290-R294 PolarHBondContact O-N 3.15Å; D291-R294 PolarHBondContact O-N 3.33Å
295	H	71.3	Confident	68.8	Low	94 Å²	94	88.1 Å²	88.1	44%	0.435	46%	0.462	S	S	.	.			trans	-136.5	71.6	-175.4	-62.7	-46.1	0	0	0	112	D291 T292 I297 K298 T299	D291-H295 PolarHBondContact O-N 2.87Å; T292-H295 CarbonylContact O-C 3.59Å; H295-I297 VanDerWaalsContact C-N 3.34Å; H295-I297 PolarHBondContact O-N 2.82Å; H295-K298 HydrophobicContact CB-CB 4.05Å; H295-K298 HydrophobicContact CB-CD 4.1Å; H295-K298 HydrophobicContact CB-CG 4.24Å; H295-K298 PolarHBondContact O-N 3.06Å; H295-T299 WeakPolarHBondContact O-CB 3.42Å; H295-T299 PolarHBondContact O-N 3.28Å; H295-T299 PolarHBondContact O-OG1 3.28Å
296	P	71.8	Confident	67.9	Low	81 Å²	81	97.3 Å²	97.3	53%	0.526	49%	0.493	S	S	.	.	H	α-helix	trans	-63	-39.9	-177.1	24.4	-33.6	0	0	0	112.1	T292 T299 A300	T292-P296 WeakPolarHBondContact O-CA 3.37Å; P296-T299 PolarHBondContact O-N 3.43Å; P296-A300 WeakPolarHBondContact O-CB 3.19Å; P296-A300 PolarHBondContact O-N 3.01Å
297	I	76.1	Confident	67.4	Low	143 Å²	143	98.8 Å²	98.8	73%	0.733	51%	0.508	S	S	*	.	H	α-helix	trans	-66	-44.3	-179.4	-61	167	0	0	0	111.4	H295 T299 A300 K301	H295-I297 VanDerWaalsContact C-N 3.34Å; H295-I297 PolarHBondContact O-N 2.82Å; I297-T299 VanDerWaalsContact C-N 3.32Å; I297-T299 PolarHBondContact O-N 3.49Å; I297-A300 PolarHBondContact O-N 2.73Å; I297-K301 PolarHBondContact O-N 2.75Å
298	K	66.9	Low	67.8	Low	137 Å²	137	98.1 Å²	98.1	60%	0.596	51%	0.507	S	S	*	.	H	α-helix	trans	-63.8	-41.9	177.6	-66.6	-176.1	179.7	174.5	0	110.5	H295 K301 T302	H295-K298 HydrophobicContact CB-CB 4.05Å; H295-K298 HydrophobicContact CB-CD 4.1Å; H295-K298 HydrophobicContact CB-CG 4.24Å; H295-K298 PolarHBondContact O-N 3.06Å; K298-K301 PolarHBondContact O-N 3.35Å; K298-T302 PolarHBondContact O-N 3.36Å; K298-T302 PolarHBondContact O-OG1 3Å
299	T	63.9	Low	68.8	Low	19 Å²	19	100.5 Å²	100.5	12%	0.117	52%	0.52	C	S	.	.	H	α-helix	trans	-61.2	-47.5	177.2	-59.1	0	0	0	0	111.7	L287 T292 H295 P296 I297 K301 T302 V303	L287-T299 HydrophobicContact CD1-CG2 3.58Å; L287-T299 HydrophobicContact CD2-CG2 3.47Å; L287-T299 VanDerWaalsContact CD2-CG2 3.47Å; L287-T299 HydrophobicContact CG-CG2 4.05Å; T292-T299 HydrophobicContact CG2-CG2 3.87Å; H295-T299 WeakPolarHBondContact O-CB 3.42Å; H295-T299 PolarHBondContact O-N 3.28Å; H295-T299 PolarHBondContact O-OG1 3.28Å; P296-T299 PolarHBondContact O-N 3.43Å; I297-T299 VanDerWaalsContact C-N 3.32Å; I297-T299 PolarHBondContact O-N 3.49Å; T299-K301 VanDerWaalsContact C-N 3.3Å; T299-K301 PolarHBondContact O-N 2.93Å; T299-T302 PolarHBondContact O-N 3.43Å; T299-V303 HydrophobicContact CG2-CG2 4.49Å; T299-V303 WeakPolarHBondContact O-CG2 3.41Å; T299-V303 PolarHBondContact O-N 2.79Å
300	A	70.9	Confident	69.8	Low	57 Å²	57	96.1 Å²	96.1	47%	0.471	50%	0.498	S	S	.	.	H	α-helix	trans	-57.7	-44	175.8	0	0	0	0	0	111.4	P296 I297 T302 V303 L304	P296-A300 WeakPolarHBondContact O-CB 3.19Å; P296-A300 PolarHBondContact O-N 3.01Å; I297-A300 PolarHBondContact O-N 2.73Å; A300-T302 PolarHBondContact O-N 3.49Å; A300-V303 PolarHBondContact O-N 3.46Å; A300-L304 WeakPolarHBondContact O-CB 3.07Å; A300-L304 PolarHBondContact O-N 3.3Å
301	K	70.5	Confident	70.8	Confident	147 Å²	147	93.1 Å²	93.1	64%	0.639	48%	0.479	S	S	*	.	H	α-helix	trans	-61.3	-44.8	176.5	-167.5	176.8	-176.8	178.3	0	112.1	I297 K298 T299 V303 L304 Q305	I297-K301 PolarHBondContact O-N 2.75Å; K298-K301 PolarHBondContact O-N 3.35Å; T299-K301 VanDerWaalsContact C-N 3.3Å; T299-K301 PolarHBondContact O-N 2.93Å; K301-V303 VanDerWaalsContact C-N 3.33Å; K301-V303 PolarHBondContact O-N 3.31Å; K301-L304 PolarHBondContact O-N 2.95Å; K301-Q305 VanDerWaalsContact O-CG 3.31Å; K301-Q305 WeakPolarHBondContact O-CG 3.23Å; K301-Q305 PolarHBondContact O-N 3.49Å
302	T	66.2	Low	71.8	Confident	65 Å²	65	95.2 Å²	95.2	40%	0.399	49%	0.487	S	S	.	.	H	α-helix	trans	-65.4	-34.9	178.1	-52.1	0	0	0	0	112.3	K298 T299 A300	K298-T302 PolarHBondContact O-N 3.36Å; K298-T302 PolarHBondContact O-OG1 3Å; T299-T302 PolarHBondContact O-N 3.43Å; A300-T302 PolarHBondContact O-N 3.49Å
303	V	67.4	Low	72.6	Confident	82 Å²	82	94.2 Å²	94.2	50%	0.497	49%	0.486	S	S	.	.	H	α-helix	trans	-70.7	-36.2	175.3	175.1	0	0	0	0	111.5	L287 T299 A300 K301	L287-V303 HydrophobicContact CD1-CG2 3.6Å; T299-V303 HydrophobicContact CG2-CG2 4.49Å; T299-V303 WeakPolarHBondContact O-CG2 3.41Å; T299-V303 PolarHBondContact O-N 2.79Å; A300-V303 PolarHBondContact O-N 3.46Å; K301-V303 VanDerWaalsContact C-N 3.33Å; K301-V303 PolarHBondContact O-N 3.31Å
304	L	67.2	Low	73.7	Confident	148 Å²	148	89.9 Å²	89.9	78%	0.775	46%	0.456	S	S	*	.	H	α-helix	trans	-83.9	-10.4	-179.8	-126.3	80.5	0	0	0	114.3	A300 K301 R306	A300-L304 WeakPolarHBondContact O-CB 3.07Å; A300-L304 PolarHBondContact O-N 3.3Å; K301-L304 PolarHBondContact O-N 2.95Å; L304-R306 PolarHBondContact O-N 3.21Å
305	Q	66.6	Low	74.7	Confident	116 Å²	116	82.5 Å²	82.5	54%	0.542	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-60.8	122.5	-178.7	-93.6	170.8	-10.2	0	0	110.4	K301	K301-Q305 VanDerWaalsContact O-CG 3.31Å; K301-Q305 WeakPolarHBondContact O-CG 3.23Å; K301-Q305 PolarHBondContact O-N 3.49Å
306	R	66.9	Low	75.8	Confident	221 Å²	221	78.6 Å²	78.6	83%	0.834	41%	0.412	S	S	*	.	P	Polyproline II helix	trans	-68.9	151.1	174.6	-68	-177	178.5	178.8	-0.3	109.6	L304 T308	L304-R306 PolarHBondContact O-N 3.21Å; R306-T308 PolarHBondContact O-N 2.95Å; R306-T308 VanDerWaalsContact O-N 3.09Å
307	P	67.9	Low	76.8	Confident	76 Å²	76	79.7 Å²	79.7	49%	0.494	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-57	118.2	172.8	-17.1	29	0	0	0	109.2
308	T	74.8	Confident	77.6	Confident	60 Å²	60	76.8 Å²	76.8	37%	0.368	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-79.5	168.3	173.2	51.9	0	0	0	0	110.4	R306 E312 H364	R306-T308 PolarHBondContact O-N 2.95Å; R306-T308 VanDerWaalsContact O-N 3.09Å; T308-E312 WeakPolarHBondContact CB-OE2 3.44Å; T308-H364 PolarHBondContact O-ND1 3.21Å
309	D	86.1	Confident	78.8	Confident	81 Å²	81	78.1 Å²	78.1	43%	0.433	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-60.3	130.2	171	-179.5	-19.6	0	0	0	108.8	L311 E312	D309-L311 PolarHBondContact O-N 3.38Å; D309-L311 VanDerWaalsContact O-N 3.08Å; D309-L311 PolarHBondContact OD1-N 3.26Å; D309-E312 HydrophobicContact CB-CB 4.18Å; D309-E312 WeakPolarHBondContact O-CB 3.44Å; D309-E312 PolarHBondContact O-N 3.04Å
310	P	81.1	Confident	80.3	Confident	7 Å²	7	78.2 Å²	78.2	5%	0.045	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-19	-178.7	27.2	-36.6	0	0	0	113.1	A328 S360 H364	P310-A328 HydrophobicContact CB-CB 3.49Å; P310-A328 VanDerWaalsContact CB-CB 3.49Å; P310-A328 HydrophobicContact CG-CB 3.63Å; P310-S360 WeakPolarHBondContact CA-OG 3.5Å; P310-S360 WeakPolarHBondContact O-CB 3.29Å; P310-S360 PolarHBondContact O-OG 2.92Å; P310-H364 HydrophobicContact CB-CB 3.89Å; P310-H364 WeakPolarHBondContact CD-ND1 3.42Å
311	L	85.2	Confident	81.3	Confident	11 Å²	11	77.1 Å²	77.1	6%	0.058	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115	16	-177.4	-59.7	174.2	0	0	0	112.6	D309 G313 I314 E321 L324 R325 F357	D309-L311 PolarHBondContact O-N 3.38Å; D309-L311 VanDerWaalsContact O-N 3.08Å; D309-L311 PolarHBondContact OD1-N 3.26Å; L311-G313 PolarHBondContact O-N 3.41Å; L311-G313 VanDerWaalsContact O-N 3.17Å; L311-I314 PolarHBondContact O-N 2.91Å; L311-E321 HydrophobicContact CD1-CB 4.48Å; L311-E321 HydrophobicContact CD1-CG 3.46Å; L311-E321 VanDerWaalsContact CD1-CG 3.46Å; L311-E321 WeakPolarHBondContact CD1-O 3.36Å; L311-L324 HydrophobicContact CD1-CB 4.44Å; L311-L324 HydrophobicContact CD2-CB 4.1Å; L311-L324 HydrophobicContact CD2-CD1 4.25Å; L311-R325 HydrophobicContact CD1-CB 4.08Å; L311-F357 HydrophobicContact CD2-CD2 3.6Å; L311-F357 HydrophobicContact CD2-CE2 3.69Å
312	E	84.1	Confident	82.4	Confident	122 Å²	122	72.8 Å²	72.8	57%	0.57	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	120.1	176.3	-163.5	176.9	166.4	0	0	111.4	T308 D309 I314	T308-E312 WeakPolarHBondContact CB-OE2 3.44Å; D309-E312 HydrophobicContact CB-CB 4.18Å; D309-E312 WeakPolarHBondContact O-CB 3.44Å; D309-E312 PolarHBondContact O-N 3.04Å; E312-I314 PolarHBondContact O-N 2.89Å
313	G	82.4	Confident	83.7	Confident	30 Å²	30	72.4 Å²	72.4	31%	0.309	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.8	3.5	-177.8	0	0	0	0	0	115.3	L311	L311-G313 PolarHBondContact O-N 3.41Å; L311-G313 VanDerWaalsContact O-N 3.17Å
314	I	89.3	Confident	85.1	Confident	12 Å²	12	68.5 Å²	68.5	6%	0.062	36%	0.357	C	S	.	.			trans	-101.9	111.9	177.3	-54.6	-179	0	0	0	108.7	L311 E312 L316 M356 F357	L311-I314 PolarHBondContact O-N 2.91Å; E312-I314 PolarHBondContact O-N 2.89Å; I314-L316 HydrophobicContact CG2-CD1 3.69Å; I314-L316 HydrophobicContact CG2-CD2 4.48Å; I314-L316 HydrophobicContact CG2-CG 3.83Å; I314-M356 HydrophobicContact CD1-CB 4.41Å; I314-M356 HydrophobicContact CD1-CG 3.95Å; I314-M356 HydrophobicContact CG1-CE 3.9Å; I314-M356 HydrophobicContact CG1-CG 3.94Å; I314-M356 HydrophobicContact CG1-SD 3.94Å; I314-F357 HydrophobicContact CD1-CB 3.99Å; I314-F357 HydrophobicContact CD1-CD2 4.33Å
315	I	92.8	Very high	86.4	Confident	24 Å²	24	65.8 Å²	65.8	12%	0.123	34%	0.336	C	S	.	.			trans	-102.6	116.9	-179.3	-61.8	162.1	0	0	0	108.7	E476 R479 L480 H483	I315-E476 HydrophobicContact CG2-CB 4.1Å; I315-E476 HydrophobicContact CG2-CG 4.46Å; I315-R479 HydrophobicContact CD1-CB 4.05Å; I315-R479 WeakPolarHBondContact CD1-O 3.31Å; I315-R479 HydrophobicContact CG2-CB 3.76Å; I315-L480 HydrophobicContact CB-CD2 3.88Å; I315-L480 HydrophobicContact CB-CG 3.99Å; I315-L480 HydrophobicContact CD1-CD2 4.02Å; I315-L480 HydrophobicContact CD1-CG 4.19Å; I315-L480 HydrophobicContact CG1-CD2 4.45Å; I315-L480 HydrophobicContact CG2-CD2 4.49Å; I315-L480 HydrophobicContact CG2-CG 4.04Å; I315-H483 HydrophobicContact CD1-CB 3.75Å
316	L	92.8	Very high	87.7	Confident	12 Å²	12	67.9 Å²	67.9	6%	0.063	34%	0.344	C	S	.	.			trans	-136.3	170.5	-178.2	-63.7	168.5	0	0	0	109.9	I314 L320 L324 F469	I314-L316 HydrophobicContact CG2-CD1 3.69Å; I314-L316 HydrophobicContact CG2-CD2 4.48Å; I314-L316 HydrophobicContact CG2-CG 3.83Å; L316-L320 HydrophobicContact CB-CD2 4.36Å; L316-L320 HydrophobicContact CD1-CD2 4.18Å; L316-L320 HydrophobicContact CD1-CG 4.27Å; L316-L320 HydrophobicContact CD2-CD2 4.05Å; L316-L320 HydrophobicContact CG-CD2 4.42Å; L316-L324 HydrophobicContact CD1-CD1 3.34Å; L316-F469 HydrophobicContact CD1-CE1 4.23Å; L316-F469 HydrophobicContact CD2-CD1 4.22Å; L316-F469 HydrophobicContact CD2-CE1 4.3Å
317	R	93.3	Very high	89	Confident	103 Å²	103	57.6 Å²	57.6	39%	0.389	31%	0.305	S	S	.	.			trans	-62.6	142.8	172.5	-64.8	-165	-79.6	172.8	4.2	110.3	E319 L320 E321 T470 E476	R317-E319 VanDerWaalsContact C-N 3.27Å; R317-E319 PolarHBondContact O-N 3.47Å; R317-E319 VanDerWaalsContact O-N 3.16Å; R317-L320 PolarHBondContact O-N 3.04Å; R317-E321 PolarHBondContact O-N 3.1Å; R317-T470 PolarHBondContact NE-OG1 3.4Å; R317-T470 PolarHBondContact NH2-OG1 3.31Å; R317-E476 WeakPolarHBondContact CA-OE1 3.34Å; R317-E476 HydrophobicContact CG-CG 4.16Å; R317-E476 WeakPolarHBondContact CG-OE1 3.2Å
318	P	92.9	Very high	90.3	Very high	82 Å²	82	54 Å²	54	53%	0.532	28%	0.282	S	S	.	.	H	α-helix	trans	-53.3	-39.8	-174.4	-28.8	34.7	0	0	0	114.6	E321 A322	P318-E321 WeakPolarHBondContact O-CB 3.49Å; P318-E321 PolarHBondContact O-N 3.45Å; P318-A322 WeakPolarHBondContact O-CB 3.37Å; P318-A322 PolarHBondContact O-N 2.82Å
319	E	93.5	Very high	91.2	Very high	166 Å²	166	54.8 Å²	54.8	78%	0.776	28%	0.283	S	S	*	.	H	α-helix	trans	-62.4	-47.3	178.3	-63.2	174.6	179.5	0	0	112.1	R317 A322 S323	R317-E319 VanDerWaalsContact C-N 3.27Å; R317-E319 PolarHBondContact O-N 3.47Å; R317-E319 VanDerWaalsContact O-N 3.16Å; E319-A322 PolarHBondContact O-N 3.27Å; E319-S323 PolarHBondContact O-N 3.28Å; E319-S323 VanDerWaalsContact O-N 3.09Å
320	L	93.9	Very high	91.6	Very high	21 Å²	21	52.8 Å²	52.8	11%	0.11	28%	0.278	C	S	.	.	H	α-helix	trans	-67.8	-40.3	177.8	180	60.2	0	0	0	110.6	L316 R317 A322 S323 L324 V467 F469	L316-L320 HydrophobicContact CB-CD2 4.36Å; L316-L320 HydrophobicContact CD1-CD2 4.18Å; L316-L320 HydrophobicContact CD1-CG 4.27Å; L316-L320 HydrophobicContact CD2-CD2 4.05Å; L316-L320 HydrophobicContact CG-CD2 4.42Å; R317-L320 PolarHBondContact O-N 3.04Å; L320-A322 VanDerWaalsContact C-N 3.34Å; L320-A322 PolarHBondContact O-N 3.11Å; L320-S323 PolarHBondContact O-N 2.74Å; L320-L324 HydrophobicContact CD1-CD1 4.42Å; L320-L324 HydrophobicContact CD1-CD2 4.47Å; L320-L324 HydrophobicContact CD1-CG 4.1Å; L320-L324 HydrophobicContact CG-CD1 4.27Å; L320-L324 HydrophobicContact CG-CG 4.33Å; L320-L324 WeakPolarHBondContact O-CB 3.44Å; L320-L324 VanDerWaalsContact O-CG 3.32Å; L320-L324 WeakPolarHBondContact O-CG 3.29Å; L320-L324 PolarHBondContact O-N 3.09Å; L320-V467 HydrophobicContact CD1-CG1 3.45Å; L320-V467 VanDerWaalsContact CD1-CG1 3.45Å; L320-F469 HydrophobicContact CD2-CD1 4.19Å; L320-F469 HydrophobicContact CD2-CG 4.43Å
321	E	93.3	Very high	92.3	Very high	34 Å²	34	53 Å²	53	16%	0.159	28%	0.279	C	S	.	.	H	α-helix	trans	-57.2	-46.9	175.5	-162.7	-168.8	125.3	0	0	111.3	L311 R317 P318 S323 L324 R325	L311-E321 HydrophobicContact CD1-CB 4.48Å; L311-E321 HydrophobicContact CD1-CG 3.46Å; L311-E321 VanDerWaalsContact CD1-CG 3.46Å; L311-E321 WeakPolarHBondContact CD1-O 3.36Å; R317-E321 PolarHBondContact O-N 3.1Å; P318-E321 WeakPolarHBondContact O-CB 3.49Å; P318-E321 PolarHBondContact O-N 3.45Å; E321-S323 PolarHBondContact O-N 3.24Å; E321-L324 PolarHBondContact O-N 3.35Å; E321-R325 VanDerWaalsContact O-CB 3.3Å; E321-R325 WeakPolarHBondContact O-CB 3.44Å; E321-R325 PolarHBondContact O-N 3.43Å; E321-R325 IonicContact OE1-CZ 2.75Å; E321-R325 IonicContact OE1-NH1 3.84Å; E321-R325 PolarHBondContact OE1-NH1 3.17Å; E321-R325 IonicContact OE1-NH2 3.04Å; E321-R325 PolarHBondContact OE1-NH2 3.14Å
322	A	93.7	Very high	92.6	Very high	56 Å²	56	58.2 Å²	58.2	46%	0.463	30%	0.298	S	S	.	.	H	α-helix	trans	-62.1	-43.5	176.8	0	0	0	0	0	112.2	P318 E319 L320 R325 K326	P318-A322 WeakPolarHBondContact O-CB 3.37Å; P318-A322 PolarHBondContact O-N 2.82Å; E319-A322 PolarHBondContact O-N 3.27Å; L320-A322 VanDerWaalsContact C-N 3.34Å; L320-A322 PolarHBondContact O-N 3.11Å; A322-R325 PolarHBondContact O-N 3.14Å; A322-K326 PolarHBondContact O-N 3.45Å
323	S	93.4	Very high	93.1	Very high	56 Å²	56	57.4 Å²	57.4	39%	0.392	29%	0.294	S	S	.	.	H	α-helix	trans	-62.4	-46.7	176.7	-169	0	0	0	0	111.8	E319 L320 E321 R325 K326 I327	E319-S323 PolarHBondContact O-N 3.28Å; E319-S323 VanDerWaalsContact O-N 3.09Å; L320-S323 PolarHBondContact O-N 2.74Å; E321-S323 PolarHBondContact O-N 3.24Å; S323-R325 VanDerWaalsContact C-N 3.34Å; S323-R325 PolarHBondContact O-N 3.12Å; S323-K326 WeakPolarHBondContact O-CB 3.31Å; S323-K326 PolarHBondContact O-N 2.82Å; S323-I327 WeakPolarHBondContact O-CG1 3.5Å; S323-I327 PolarHBondContact O-N 3.3Å
324	L	95.1	Very high	93.6	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-66.1	-36.2	178.6	-70.5	-172.1	0	0	0	112.5	L311 L316 L320 E321 I327 A328 F357 V467 F469	L311-L324 HydrophobicContact CD1-CB 4.44Å; L311-L324 HydrophobicContact CD2-CB 4.1Å; L311-L324 HydrophobicContact CD2-CD1 4.25Å; L316-L324 HydrophobicContact CD1-CD1 3.34Å; L320-L324 HydrophobicContact CD1-CD1 4.42Å; L320-L324 HydrophobicContact CD1-CD2 4.47Å; L320-L324 HydrophobicContact CD1-CG 4.1Å; L320-L324 HydrophobicContact CG-CD1 4.27Å; L320-L324 HydrophobicContact CG-CG 4.33Å; L320-L324 WeakPolarHBondContact O-CB 3.44Å; L320-L324 VanDerWaalsContact O-CG 3.32Å; L320-L324 WeakPolarHBondContact O-CG 3.29Å; L320-L324 PolarHBondContact O-N 3.09Å; E321-L324 PolarHBondContact O-N 3.35Å; L324-I327 HydrophobicContact CD2-CD1 4.19Å; L324-I327 WeakPolarHBondContact O-CB 3.49Å; L324-I327 PolarHBondContact O-N 2.94Å; L324-A328 WeakPolarHBondContact O-CB 3.32Å; L324-A328 PolarHBondContact O-N 3.44Å; L324-F357 HydrophobicContact CB-CD2 4.38Å; L324-F357 HydrophobicContact CB-CE1 4.44Å; L324-F357 HydrophobicContact CB-CE2 3.71Å; L324-F357 HydrophobicContact CB-CZ 3.75Å; L324-F357 HydrophobicContact CD1-CD1 4.15Å; L324-F357 HydrophobicContact CD1-CD2 3.88Å; L324-F357 HydrophobicContact CD1-CE1 4.32Å; L324-F357 HydrophobicContact CD1-CE2 4.03Å; L324-F357 HydrophobicContact CD1-CG 3.95Å; L324-F357 HydrophobicContact CD1-CZ 4.25Å; L324-F357 HydrophobicContact CD2-CD1 3.9Å; L324-F357 HydrophobicContact CD2-CE1 3.43Å; L324-F357 VanDerWaalsContact CD2-CE1 3.43Å; L324-F357 HydrophobicContact CD2-CE2 4.23Å; L324-F357 HydrophobicContact CD2-CG 4.5Å; L324-F357 HydrophobicContact CD2-CZ 3.61Å; L324-F357 HydrophobicContact CG-CE1 4.26Å; L324-F357 HydrophobicContact CG-CE2 4.21Å; L324-F357 HydrophobicContact CG-CZ 4.07Å; L324-V467 HydrophobicContact CD2-CG1 3.69Å; L324-V467 HydrophobicContact CD2-CG2 4.33Å; L324-F469 HydrophobicContact CD1-CE1 4.18Å; L324-F469 HydrophobicContact CD1-CZ 3.89Å; L324-F469 HydrophobicContact CD2-CZ 4.39Å
325	R	94.5	Very high	93.7	Very high	91 Å²	91	59.5 Å²	59.5	34%	0.343	30%	0.297	S	S	.	.	H	α-helix	trans	-63.1	-42.3	173.6	-175.5	173.7	-73.9	121.7	1.3	111	L311 E321 A322 S323 I327 A328 I329	L311-R325 HydrophobicContact CD1-CB 4.08Å; E321-R325 VanDerWaalsContact O-CB 3.3Å; E321-R325 WeakPolarHBondContact O-CB 3.44Å; E321-R325 PolarHBondContact O-N 3.43Å; E321-R325 IonicContact OE1-CZ 2.75Å; E321-R325 IonicContact OE1-NH1 3.84Å; E321-R325 PolarHBondContact OE1-NH1 3.17Å; E321-R325 IonicContact OE1-NH2 3.04Å; E321-R325 PolarHBondContact OE1-NH2 3.14Å; A322-R325 PolarHBondContact O-N 3.14Å; S323-R325 VanDerWaalsContact C-N 3.34Å; S323-R325 PolarHBondContact O-N 3.12Å; R325-I327 PolarHBondContact O-N 3.01Å; R325-A328 PolarHBondContact O-N 3.15Å; R325-I329 HydrophobicContact CG-CD1 3.9Å; R325-I329 WeakPolarHBondContact O-CB 3.43Å; R325-I329 VanDerWaalsContact O-CG1 3.29Å; R325-I329 WeakPolarHBondContact O-CG1 3.29Å; R325-I329 PolarHBondContact O-N 3.04Å
326	K	94.7	Very high	93.7	Very high	160 Å²	160	62 Å²	62	70%	0.696	32%	0.321	S	S	*	.	H	α-helix	trans	-59.6	-45.3	174.3	-174.8	-179	178.1	-177.1	0	111.5	A322 S323 A328 I329 A330	A322-K326 PolarHBondContact O-N 3.45Å; S323-K326 WeakPolarHBondContact O-CB 3.31Å; S323-K326 PolarHBondContact O-N 2.82Å; K326-A328 PolarHBondContact O-N 3.31Å; K326-I329 PolarHBondContact O-N 2.86Å; K326-A330 VanDerWaalsContact O-CB 3.25Å; K326-A330 WeakPolarHBondContact O-CB 3.41Å; K326-A330 PolarHBondContact O-N 3.47Å
327	I	94.9	Very high	93.7	Very high	6 Å²	6	67.7 Å²	67.7	3%	0.031	35%	0.352	C	S	.	.	H	α-helix	trans	-59.3	-46.2	175.6	-71	171.6	0	0	0	111.4	S323 L324 R325 A330 T331 I344 F357 L361 E465 V467	S323-I327 WeakPolarHBondContact O-CG1 3.5Å; S323-I327 PolarHBondContact O-N 3.3Å; L324-I327 HydrophobicContact CD2-CD1 4.19Å; L324-I327 WeakPolarHBondContact O-CB 3.49Å; L324-I327 PolarHBondContact O-N 2.94Å; R325-I327 PolarHBondContact O-N 3.01Å; I327-A330 PolarHBondContact O-N 3.31Å; I327-T331 WeakPolarHBondContact O-CB 3.49Å; I327-T331 PolarHBondContact O-N 3.38Å; I327-T331 PolarHBondContact O-OG1 2.98Å; I327-I344 HydrophobicContact CD1-CD1 4.37Å; I327-I344 HydrophobicContact CG2-CD1 3.35Å; I327-F357 HydrophobicContact CG2-CZ 4.49Å; I327-L361 HydrophobicContact CG2-CD1 4.38Å; I327-L361 HydrophobicContact CG2-CD2 4.23Å; I327-E465 WeakPolarHBondContact CD1-OE2 3.25Å; I327-E465 WeakPolarHBondContact CG1-OE2 3.35Å; I327-V467 HydrophobicContact CD1-CG2 3.57Å
328	A	94.8	Very high	93.6	Very high	0 Å²	0	70.8 Å²	70.8	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-63.9	-45	-179.2	0	0	0	0	0	112.2	P310 L324 R325 K326 T331 R332 L361	P310-A328 HydrophobicContact CB-CB 3.49Å; P310-A328 VanDerWaalsContact CB-CB 3.49Å; P310-A328 HydrophobicContact CG-CB 3.63Å; L324-A328 WeakPolarHBondContact O-CB 3.32Å; L324-A328 PolarHBondContact O-N 3.44Å; R325-A328 PolarHBondContact O-N 3.15Å; K326-A328 PolarHBondContact O-N 3.31Å; A328-T331 PolarHBondContact O-N 3.48Å; A328-R332 WeakPolarHBondContact O-CB 3.22Å; A328-R332 PolarHBondContact O-N 2.82Å; A328-L361 HydrophobicContact CB-CD1 3.91Å
329	I	94.2	Very high	93.6	Very high	77 Å²	77	68 Å²	68	40%	0.395	36%	0.355	S	S	.	.	H	α-helix	trans	-62.6	-48.4	176.3	-69	168.4	0	0	0	110.3	R325 K326 T331 R332 H333	R325-I329 HydrophobicContact CG-CD1 3.9Å; R325-I329 WeakPolarHBondContact O-CB 3.43Å; R325-I329 VanDerWaalsContact O-CG1 3.29Å; R325-I329 WeakPolarHBondContact O-CG1 3.29Å; R325-I329 PolarHBondContact O-N 3.04Å; K326-I329 PolarHBondContact O-N 2.86Å; I329-T331 PolarHBondContact O-N 3.1Å; I329-R332 PolarHBondContact O-N 2.65Å; I329-H333 VanDerWaalsContact CG2-CD2 3.42Å; I329-H333 WeakPolarHBondContact CG2-CD2 3.49Å; I329-H333 WeakPolarHBondContact CG2-NE2 3.21Å; I329-H333 PolarHBondContact O-CD2 3.01Å; I329-H333 PolarHBondContact O-N 2.66Å
330	A	94.6	Very high	93.6	Very high	39 Å²	39	65.8 Å²	65.8	32%	0.322	34%	0.342	S	S	.	.	H	α-helix	trans	-59	-46	178.1	0	0	0	0	0	111.8	K326 I327 R332 H333 T334	K326-A330 VanDerWaalsContact O-CB 3.25Å; K326-A330 WeakPolarHBondContact O-CB 3.41Å; K326-A330 PolarHBondContact O-N 3.47Å; I327-A330 PolarHBondContact O-N 3.31Å; A330-R332 VanDerWaalsContact C-N 3.35Å; A330-R332 PolarHBondContact O-N 3.22Å; A330-H333 PolarHBondContact O-N 3.37Å; A330-T334 WeakPolarHBondContact O-CB 2.98Å; A330-T334 PolarHBondContact O-N 3.48Å; A330-T334 PolarHBondContact O-OG1 3.47Å
331	T	94.3	Very high	93.6	Very high	11 Å²	11	65.3 Å²	65.3	7%	0.067	34%	0.339	C	S	.	.	H	α-helix	trans	-61.9	-42.7	179.4	-55.6	0	0	0	0	111.6	I327 A328 I329 T334 K335 Y341 L361 S365 M367 M444	I327-T331 WeakPolarHBondContact O-CB 3.49Å; I327-T331 PolarHBondContact O-N 3.38Å; I327-T331 PolarHBondContact O-OG1 2.98Å; A328-T331 PolarHBondContact O-N 3.48Å; I329-T331 PolarHBondContact O-N 3.1Å; T331-T334 PolarHBondContact O-N 2.77Å; T331-K335 PolarHBondContact O-N 2.96Å; T331-Y341 HydrophobicContact CG2-CD1 4.42Å; T331-L361 HydrophobicContact CG2-CD1 4.37Å; T331-S365 WeakPolarHBondContact CG2-OG 3.41Å; T331-M367 HydrophobicContact CG2-CE 3.59Å; T331-M444 HydrophobicContact CG2-CE 4.28Å; T331-M444 HydrophobicContact CG2-SD 3.69Å
332	R	92.9	Very high	93.6	Very high	120 Å²	120	70.6 Å²	70.6	45%	0.453	36%	0.358	S	S	.	.	H	α-helix	trans	-62.6	-44.4	175.9	-177.9	177.2	172.6	-171.3	-2	112	A328 I329 A330 K335 A336	A328-R332 WeakPolarHBondContact O-CB 3.22Å; A328-R332 PolarHBondContact O-N 2.82Å; I329-R332 PolarHBondContact O-N 2.65Å; A330-R332 VanDerWaalsContact C-N 3.35Å; A330-R332 PolarHBondContact O-N 3.22Å; R332-K335 PolarHBondContact O-N 3.14Å; R332-A336 PolarHBondContact O-N 2.73Å
333	H	94	Very high	93.7	Very high	106 Å²	106	68.2 Å²	68.2	49%	0.491	34%	0.337	S	S	.	.	H	α-helix	trans	-66.2	-43	176.3	-71.8	-56.2	0	0	0	112.4	I329 A330 K335 A336 N337	I329-H333 VanDerWaalsContact CG2-CD2 3.42Å; I329-H333 WeakPolarHBondContact CG2-CD2 3.49Å; I329-H333 WeakPolarHBondContact CG2-NE2 3.21Å; I329-H333 PolarHBondContact O-CD2 3.01Å; I329-H333 PolarHBondContact O-N 2.66Å; A330-H333 PolarHBondContact O-N 3.37Å; H333-K335 VanDerWaalsContact C-N 3.26Å; H333-K335 PolarHBondContact O-N 2.91Å; H333-A336 PolarHBondContact O-N 3.04Å; H333-A336 VanDerWaalsContact O-N 3.16Å; H333-N337 WeakPolarHBondContact O-CB 3.23Å; H333-N337 PolarHBondContact O-N 3.48Å; H333-N337 PolarHBondContact O-ND2 2.72Å
334	T	93.5	Very high	93.8	Very high	37 Å²	37	65.6 Å²	65.6	23%	0.227	32%	0.319	C	S	.	.	H	α-helix	trans	-55.4	-44.4	174.7	-66.8	0	0	0	0	110.9	A330 T331 N337 K338 G339 F340 Y341	A330-T334 WeakPolarHBondContact O-CB 2.98Å; A330-T334 PolarHBondContact O-N 3.48Å; A330-T334 PolarHBondContact O-OG1 3.47Å; T331-T334 PolarHBondContact O-N 2.77Å; T334-N337 CarbonylContact O-C 3.53Å; T334-N337 PolarHBondContact O-N 3.32Å; T334-K338 PolarHBondContact O-N 3.47Å; T334-G339 PolarHBondContact O-N 2.77Å; T334-F340 WeakPolarHBondContact CG2-O 3.33Å; T334-Y341 HydrophobicContact CG2-CD1 3.93Å; T334-Y341 HydrophobicContact CG2-CE1 4.22Å
335	K	91	Very high	93.8	Very high	49 Å²	49	65.7 Å²	65.7	21%	0.213	32%	0.319	C	S	.	.	H	α-helix	trans	-63	-49	175.2	-177	179.5	-171.8	172.4	0	112.7	T331 R332 H333 N337 K338 Y341 S365 G366 M367 K400	T331-K335 PolarHBondContact O-N 2.96Å; R332-K335 PolarHBondContact O-N 3.14Å; H333-K335 VanDerWaalsContact C-N 3.26Å; H333-K335 PolarHBondContact O-N 2.91Å; K335-N337 PolarHBondContact O-N 3.17Å; K335-K338 PolarHBondContact O-N 3.28Å; K335-Y341 HydrophobicContact CB-CE1 4.06Å; K335-Y341 WeakPolarHBondContact CG-OH 2.72Å; K335-S365 WeakPolarHBondContact CD-O 3.4Å; K335-S365 PolarHBondContact NZ-O 3.24Å; K335-S365 VanDerWaalsContact NZ-O 3.08Å; K335-G366 PolarHBondContact NZ-O 2.8Å; K335-M367 HydrophobicContact CD-CG 3.95Å; K335-M367 VanDerWaalsContact NZ-N 3.14Å; K335-K400 WeakPolarHBondContact CE-O 3.34Å; K335-K400 PolarHBondContact NZ-O 2.65Å
336	A	91.6	Very high	93.9	Very high	75 Å²	75	61.4 Å²	61.4	62%	0.62	30%	0.303	S	S	*	.	H	α-helix	trans	-57.3	-38.3	179.7	0	0	0	0	0	111.4	R332 H333 K338	R332-A336 PolarHBondContact O-N 2.73Å; H333-A336 PolarHBondContact O-N 3.04Å; H333-A336 VanDerWaalsContact O-N 3.16Å; A336-K338 VanDerWaalsContact C-N 3.35Å
337	N	93.8	Very high	93.9	Very high	132 Å²	132	53.8 Å²	53.8	71%	0.706	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	4.9	179.9	-63.5	-24.8	0	0	0	114	H333 T334 K335 G339	H333-N337 WeakPolarHBondContact O-CB 3.23Å; H333-N337 PolarHBondContact O-N 3.48Å; H333-N337 PolarHBondContact O-ND2 2.72Å; T334-N337 CarbonylContact O-C 3.53Å; T334-N337 PolarHBondContact O-N 3.32Å; K335-N337 PolarHBondContact O-N 3.17Å; N337-G339 PolarHBondContact O-N 3.1Å
338	K	91.2	Very high	93.9	Very high	169 Å²	169	53.7 Å²	53.7	74%	0.735	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	35.3	-177.3	-55.2	175.5	-176.3	171.8	0	113.2	T334 K335 A336	T334-K338 PolarHBondContact O-N 3.47Å; K335-K338 PolarHBondContact O-N 3.28Å; A336-K338 VanDerWaalsContact C-N 3.35Å
339	G	92.5	Very high	93.7	Very high	24 Å²	24	55.6 Å²	55.6	25%	0.247	28%	0.283	C	S	.	.			trans	-75.4	176.9	176.2	0	0	0	0	0	112.8	T334 N337	T334-G339 PolarHBondContact O-N 2.77Å; N337-G339 PolarHBondContact O-N 3.1Å
340	F	93.9	Very high	93.6	Very high	118 Å²	118	54.4 Å²	54.4	52%	0.518	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-80.9	133.1	171.8	-65.3	-85	0	0	0	109.8	T334 Q439 K441	T334-F340 WeakPolarHBondContact CG2-O 3.33Å; F340-Q439 HydrophobicContact CB-CB 4.15Å; F340-Q439 HydrophobicContact CD1-CB 4Å; F340-Q439 WeakPolarHBondContact CD1-O 3.42Å; F340-Q439 HydrophobicContact CG-CB 4.32Å; F340-K441 HydrophobicContact CD1-CD 4.41Å; F340-K441 HydrophobicContact CD1-CG 3.55Å; F340-K441 HydrophobicContact CE1-CD 4.19Å; F340-K441 HydrophobicContact CE1-CG 3.7Å; F340-K441 VanDerWaalsContact CE2-CE 3.43Å; F340-K441 HydrophobicContact CG-CG 4.08Å; F340-K441 HydrophobicContact CZ-CD 4.37Å; F340-K441 HydrophobicContact CZ-CG 4.33Å
341	Y	94.2	Very high	93.4	Very high	12 Å²	12	53.7 Å²	53.7	5%	0.047	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-73.6	149.2	176.8	-63.8	-64.5	0	0	0	110.7	T331 T334 K335 M367 Q439 S440 K441 M444	T331-Y341 HydrophobicContact CG2-CD1 4.42Å; T334-Y341 HydrophobicContact CG2-CD1 3.93Å; T334-Y341 HydrophobicContact CG2-CE1 4.22Å; K335-Y341 HydrophobicContact CB-CE1 4.06Å; K335-Y341 WeakPolarHBondContact CG-OH 2.72Å; Y341-M367 HydrophobicContact CD1-SD 4.27Å; Y341-M367 HydrophobicContact CE1-SD 3.67Å; Y341-M367 HydrophobicContact CE2-SD 4.24Å; Y341-Q439 PolarHBondContact O-OE1 3.37Å; Y341-S440 WeakPolarHBondContact CD2-O 3.42Å; Y341-S440 PolarHBondContact N-O 3.11Å; Y341-S440 VanDerWaalsContact N-O 3.1Å; Y341-K441 WeakPolarHBondContact CE2-O 3.46Å; Y341-M444 HydrophobicContact CD1-CB 4.44Å; Y341-M444 HydrophobicContact CD2-CB 4.38Å; Y341-M444 HydrophobicContact CG-CB 3.96Å
342	R	93	Very high	93.4	Very high	144 Å²	144	53.9 Å²	53.9	54%	0.543	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-93.9	140	173.7	-69.6	-177.3	-177.9	-174.3	-4.2	110.1	M444 D464 E465	R342-M444 VanDerWaalsContact O-CE 3.25Å; R342-M444 WeakPolarHBondContact O-CE 3.41Å; R342-M444 WeakPolarHBondContact O-CG 3.31Å; R342-D464 VanDerWaalsContact CA-OD2 3.3Å; R342-D464 WeakPolarHBondContact CA-OD2 3.24Å; R342-D464 HydrophobicContact CB-CB 3.88Å; R342-D464 HydrophobicContact CG-CB 4.15Å; R342-E465 IonicContact NH1-OE1 3.01Å; R342-E465 PolarHBondContact NH1-OE1 3.45Å
343	N	94.7	Very high	93.3	Very high	6 Å²	6	49.3 Å²	49.3	3%	0.032	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-85.8	139.6	176	-57.6	-37.1	0	0	0	110.4	L445 R462 M463 D464 E465	N343-L445 CarbonylContact C-O 3.57Å; N343-L445 VanDerWaalsContact CA-O 3.28Å; N343-L445 WeakPolarHBondContact CA-O 3.28Å; N343-L445 HydrophobicContact CB-CB 4.27Å; N343-L445 WeakPolarHBondContact OD1-CB 3.39Å; N343-L445 PolarHBondContact OD1-N 2.9Å; N343-R462 WeakPolarHBondContact CB-O 3.36Å; N343-R462 PolarHBondContact ND2-O 2.99Å; N343-M463 HydrophobicContact CB-CE 3.68Å; N343-M463 HydrophobicContact CB-SD 4.15Å; N343-D464 PolarHBondContact N-OD2 2.85Å; N343-D464 PolarHBondContact O-N 3.16Å; N343-E465 PolarHBondContact O-N 3.16Å
344	I	95.6	Very high	93.4	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.01	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	132.9	-174.2	-56.2	-179.2	0	0	0	110.5	I327 M346 L361 M444 L445 V446 L447 E465 V467	I327-I344 HydrophobicContact CD1-CD1 4.37Å; I327-I344 HydrophobicContact CG2-CD1 3.35Å; I344-M346 HydrophobicContact CG2-CE 4.14Å; I344-M346 HydrophobicContact CG2-CG 4.18Å; I344-L361 HydrophobicContact CD1-CD2 4.39Å; I344-M444 HydrophobicContact CD1-CE 3.28Å; I344-M444 HydrophobicContact CG1-CE 3.74Å; I344-L445 PolarHBondContact N-O 3.48Å; I344-V446 HydrophobicContact CB-CG2 4.4Å; I344-V446 CarbonylContact O-C 3.6Å; I344-V446 VanDerWaalsContact O-CA 3.31Å; I344-V446 WeakPolarHBondContact O-CA 3.49Å; I344-L447 PolarHBondContact O-N 3.3Å; I344-E465 CarbonylContact C-O 3.6Å; I344-E465 WeakPolarHBondContact CA-O 3.4Å; I344-E465 HydrophobicContact CG1-CB 4.5Å; I344-V467 HydrophobicContact CG2-CG2 4Å
345	L	95.8	Very high	93.3	Very high	2 Å²	2	45 Å²	45	1%	0.01	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	118.5	167.7	177.8	59.4	0	0	0	110.3	L447 P452 F455 M463 E465 I466 V467	L345-L447 CarbonylContact C-O 3.5Å; L345-L447 HydrophobicContact CD1-CB 3.82Å; L345-P452 HydrophobicContact CD2-CB 4.37Å; L345-F455 HydrophobicContact CD1-CD2 4.39Å; L345-F455 HydrophobicContact CD1-CE2 3.56Å; L345-F455 HydrophobicContact CD1-CZ 4.03Å; L345-F455 HydrophobicContact CD2-CD2 4.37Å; L345-F455 HydrophobicContact CD2-CE2 4.32Å; L345-M463 HydrophobicContact CB-CB 4.25Å; L345-M463 HydrophobicContact CB-CG 3.93Å; L345-M463 HydrophobicContact CB-SD 4.13Å; L345-E465 PolarHBondContact N-O 3.48Å; L345-I466 HydrophobicContact CB-CG1 4.28Å; L345-I466 HydrophobicContact CD2-CG1 4.37Å; L345-I466 HydrophobicContact CD2-CG2 4.31Å; L345-I466 HydrophobicContact CG-CG2 4.45Å; L345-I466 CarbonylContact O-C 3.54Å; L345-I466 WeakPolarHBondContact O-CA 3.33Å; L345-V467 PolarHBondContact O-N 3.28Å
346	M	97	Very high	93.4	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	103.2	173.4	-60.8	-178	-175.6	0	0	109.5	I344 K354 F357 F405 V446 L447 A448 S449 V467 F469	I344-M346 HydrophobicContact CG2-CE 4.14Å; I344-M346 HydrophobicContact CG2-CG 4.18Å; M346-K354 HydrophobicContact CB-CB 4.34Å; M346-K354 HydrophobicContact CB-CD 4.05Å; M346-K354 HydrophobicContact CB-CG 4.22Å; M346-K354 WeakPolarHBondContact O-CD 3.48Å; M346-K354 HydrophobicContact SD-CB 4.39Å; M346-F357 HydrophobicContact CE-CD1 3.32Å; M346-F357 HydrophobicContact CE-CE1 3.54Å; M346-F357 HydrophobicContact SD-CD1 4.04Å; M346-F405 HydrophobicContact SD-CE2 4.45Å; M346-V446 HydrophobicContact CE-CG1 3.43Å; M346-V446 VanDerWaalsContact CE-CG1 3.43Å; M346-V446 HydrophobicContact CG-CG1 4.11Å; M346-V446 HydrophobicContact SD-CG1 3.79Å; M346-L447 PolarHBondContact N-O 3.26Å; M346-A448 HydrophobicContact CB-CB 4.46Å; M346-A448 WeakPolarHBondContact O-CA 3.19Å; M346-S449 PolarHBondContact O-N 2.87Å; M346-V467 WeakPolarHBondContact CA-O 3.47Å; M346-F469 HydrophobicContact CB-CD2 4.16Å; M346-F469 HydrophobicContact CB-CE2 3.86Å; M346-F469 HydrophobicContact CG-CE2 3.84Å; M346-F469 HydrophobicContact SD-CE2 4.02Å; M346-F469 HydrophobicContact SD-CZ 4.26Å
347	A	95.5	Very high	93.6	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	146	-179.5	0	0	0	0	0	111	S449 P452 V467 Q468 F469	A347-S449 WeakPolarHBondContact CA-O 2.98Å; A347-P452 HydrophobicContact CB-CB 4.11Å; A347-P452 HydrophobicContact CB-CG 3.82Å; A347-V467 PolarHBondContact N-O 3.43Å; A347-Q468 VanDerWaalsContact CB-OE1 3.23Å; A347-Q468 CarbonylContact O-C 3.58Å; A347-F469 PolarHBondContact O-N 3.02Å
348	G	92.9	Very high	93.6	Very high	4 Å²	4	36.9 Å²	36.9	4%	0.041	20%	0.195	C	C	.	.	S	Bend	trans	145.9	-178.7	169.7	0	0	0	0	0	114.3	K354 S449 N450 F469	G348-K354 PolarHBondContact O-NZ 3.38Å; G348-S449 PolarHBondContact N-O 3.33Å; G348-S449 VanDerWaalsContact N-O 3.12Å; G348-N450 WeakPolarHBondContact O-CA 3.25Å; G348-N450 PolarHBondContact O-OD1 2.88Å; G348-F469 VanDerWaalsContact CA-O 3.31Å; G348-F469 WeakPolarHBondContact CA-O 3.42Å
349	P	91.7	Very high	93.7	Very high	40 Å²	40	31.3 Å²	31.3	26%	0.26	17%	0.171	S	C	.	.			trans	-60.7	156.8	-179.6	-23.5	34.5	0	0	0	113	T352 K354 F469 L471	P349-T352 HydrophobicContact CB-CG2 4.2Å; P349-T352 WeakPolarHBondContact O-CG2 3.44Å; P349-T352 PolarHBondContact O-OG1 3.13Å; P349-K354 PolarHBondContact O-NZ 3.01Å; P349-F469 VanDerWaalsContact CD-O 3.25Å; P349-F469 WeakPolarHBondContact CD-O 3.49Å; P349-L471 HydrophobicContact CB-CD2 4.31Å; P349-L471 HydrophobicContact CG-CD2 4.41Å; P349-L471 HydrophobicContact CG-CG 4.34Å
350	P	91	Very high	93.7	Very high	53 Å²	53	30.6 Å²	30.6	34%	0.344	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	150.1	173.3	28.8	-35.1	0	0	0	111
351	G	91.6	Very high	93.7	Very high	24 Å²	24	25 Å²	25	25%	0.247	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.6	14.6	175.9	0	0	0	0	0	115.9	G524 R525	G351-G524 PolarHBondContact O-N 2.7Å; G351-G524 VanDerWaalsContact O-N 3.15Å; G351-R525 PolarHBondContact O-N 3.5Å
352	T	93.3	Very high	93.7	Very high	14 Å²	14	24.4 Å²	24.4	9%	0.086	14%	0.135	C	C	.	.	S	Bend	trans	-93.2	1	178.1	49.7	0	0	0	0	114.3	P349 L471	P349-T352 HydrophobicContact CB-CG2 4.2Å; P349-T352 WeakPolarHBondContact O-CG2 3.44Å; P349-T352 PolarHBondContact O-OG1 3.13Å; T352-L471 HydrophobicContact CG2-CD2 4.42Å
353	G	92.4	Very high	93.5	Very high	24 Å²	24	21.6 Å²	21.6	25%	0.247	13%	0.13	C	C	.	.	S	Bend	trans	99.9	6.2	174.5	0	0	0	0	0	116.4	T355 M356 F357	G353-T355 PolarHBondContact O-N 3.25Å; G353-M356 WeakPolarHBondContact O-CB 3.44Å; G353-M356 PolarHBondContact O-N 3.45Å; G353-M356 VanDerWaalsContact O-N 3.07Å; G353-F357 PolarHBondContact O-N 3.48Å
354	K	94.3	Very high	93.4	Very high	9 Å²	9	22.1 Å²	22.1	4%	0.039	13%	0.132	C	C	.	.	H	α-helix	trans	-47.1	-55.9	178.5	-57.7	-172.3	-67.8	-110.6	0	113.2	M346 G348 P349 M356 F357 A358 A448 N450 F469	M346-K354 HydrophobicContact CB-CB 4.34Å; M346-K354 HydrophobicContact CB-CD 4.05Å; M346-K354 HydrophobicContact CB-CG 4.22Å; M346-K354 WeakPolarHBondContact O-CD 3.48Å; M346-K354 HydrophobicContact SD-CB 4.39Å; G348-K354 PolarHBondContact O-NZ 3.38Å; P349-K354 PolarHBondContact O-NZ 3.01Å; K354-M356 VanDerWaalsContact C-N 3.33Å; K354-M356 PolarHBondContact O-N 2.83Å; K354-F357 PolarHBondContact O-N 3.36Å; K354-A358 PolarHBondContact O-N 3.06Å; K354-A448 HydrophobicContact CB-CB 4.39Å; K354-A448 HydrophobicContact CD-CB 4.23Å; K354-N450 PolarHBondContact NZ-OD1 3.45Å; K354-F469 HydrophobicContact CD-CD2 4.37Å; K354-F469 HydrophobicContact CG-CB 4.24Å; K354-F469 HydrophobicContact CG-CD1 4.13Å; K354-F469 HydrophobicContact CG-CD2 3.81Å; K354-F469 HydrophobicContact CG-CE1 4.45Å; K354-F469 HydrophobicContact CG-CE2 4.17Å; K354-F469 HydrophobicContact CG-CG 3.79Å; K354-F469 HydrophobicContact CG-CZ 4.48Å
355	T	93.4	Very high	93.2	Very high	43 Å²	43	22.3 Å²	22.3	26%	0.264	13%	0.133	S	C	.	.	H	α-helix	trans	-64.5	-35.2	-179.8	-40.4	0	0	0	0	112.5	G353 K359 I371 F405 D407	G353-T355 PolarHBondContact O-N 3.25Å; T355-K359 WeakPolarHBondContact O-CG 3.47Å; T355-K359 PolarHBondContact O-N 3.38Å; T355-I371 HydrophobicContact CG2-CD1 4.13Å; T355-F405 HydrophobicContact CG2-CD1 4.16Å; T355-F405 HydrophobicContact CG2-CE1 3.61Å; T355-F405 HydrophobicContact CG2-CZ 4.26Å; T355-D407 PolarHBondContact OG1-OD2 2.84Å; T355-D407 VanDerWaalsContact OG1-OD2 3.1Å
356	M	92.9	Very high	92.8	Very high	84 Å²	84	23.9 Å²	23.9	41%	0.414	15%	0.15	S	C	.	.	H	α-helix	trans	-69.3	-43.5	178.6	-172.5	174	177.6	0	0	110.9	I314 G353 K354 K359 S360	I314-M356 HydrophobicContact CD1-CB 4.41Å; I314-M356 HydrophobicContact CD1-CG 3.95Å; I314-M356 HydrophobicContact CG1-CE 3.9Å; I314-M356 HydrophobicContact CG1-CG 3.94Å; I314-M356 HydrophobicContact CG1-SD 3.94Å; G353-M356 WeakPolarHBondContact O-CB 3.44Å; G353-M356 PolarHBondContact O-N 3.45Å; G353-M356 VanDerWaalsContact O-N 3.07Å; K354-M356 VanDerWaalsContact C-N 3.33Å; K354-M356 PolarHBondContact O-N 2.83Å; M356-K359 PolarHBondContact O-N 2.85Å; M356-S360 WeakPolarHBondContact O-CB 3.44Å; M356-S360 PolarHBondContact O-N 2.84Å
357	F	95.1	Very high	92.6	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-63.5	-42.4	175.3	177.2	-108.5	0	0	0	111.9	L311 I314 L324 I327 M346 G353 K354 K359 S360 L361 F469	L311-F357 HydrophobicContact CD2-CD2 3.6Å; L311-F357 HydrophobicContact CD2-CE2 3.69Å; I314-F357 HydrophobicContact CD1-CB 3.99Å; I314-F357 HydrophobicContact CD1-CD2 4.33Å; L324-F357 HydrophobicContact CB-CD2 4.38Å; L324-F357 HydrophobicContact CB-CE1 4.44Å; L324-F357 HydrophobicContact CB-CE2 3.71Å; L324-F357 HydrophobicContact CB-CZ 3.75Å; L324-F357 HydrophobicContact CD1-CD1 4.15Å; L324-F357 HydrophobicContact CD1-CD2 3.88Å; L324-F357 HydrophobicContact CD1-CE1 4.32Å; L324-F357 HydrophobicContact CD1-CE2 4.03Å; L324-F357 HydrophobicContact CD1-CG 3.95Å; L324-F357 HydrophobicContact CD1-CZ 4.25Å; L324-F357 HydrophobicContact CD2-CD1 3.9Å; L324-F357 HydrophobicContact CD2-CE1 3.43Å; L324-F357 VanDerWaalsContact CD2-CE1 3.43Å; L324-F357 HydrophobicContact CD2-CE2 4.23Å; L324-F357 HydrophobicContact CD2-CG 4.5Å; L324-F357 HydrophobicContact CD2-CZ 3.61Å; L324-F357 HydrophobicContact CG-CE1 4.26Å; L324-F357 HydrophobicContact CG-CE2 4.21Å; L324-F357 HydrophobicContact CG-CZ 4.07Å; I327-F357 HydrophobicContact CG2-CZ 4.49Å; M346-F357 HydrophobicContact CE-CD1 3.32Å; M346-F357 HydrophobicContact CE-CE1 3.54Å; M346-F357 HydrophobicContact SD-CD1 4.04Å; G353-F357 PolarHBondContact O-N 3.48Å; K354-F357 PolarHBondContact O-N 3.36Å; F357-K359 PolarHBondContact O-N 3.07Å; F357-S360 PolarHBondContact O-N 3.38Å; F357-S360 VanDerWaalsContact O-N 3.16Å; F357-L361 HydrophobicContact CE1-CB 4.44Å; F357-L361 HydrophobicContact CE1-CD2 4.05Å; F357-L361 HydrophobicContact CZ-CB 4.3Å; F357-L361 HydrophobicContact CZ-CD1 4.46Å; F357-L361 HydrophobicContact CZ-CD2 4.28Å; F357-L361 VanDerWaalsContact O-CB 3.27Å; F357-L361 WeakPolarHBondContact O-CB 3.45Å; F357-L361 PolarHBondContact O-N 2.92Å; F357-F469 HydrophobicContact CB-CZ 4.36Å; F357-F469 HydrophobicContact CD1-CZ 4.31Å
358	A	94.5	Very high	92.4	Very high	2 Å²	2	25 Å²	25	2%	0.017	16%	0.156	C	C	.	.	H	α-helix	trans	-58.9	-43	176.7	0	0	0	0	0	113.1	K354 A362 L403 F405 V446	K354-A358 PolarHBondContact O-N 3.06Å; A358-A362 PolarHBondContact O-N 3.12Å; A358-L403 HydrophobicContact CB-CD2 4.3Å; A358-F405 HydrophobicContact CB-CB 4.27Å; A358-F405 HydrophobicContact CB-CD2 3.26Å; A358-F405 HydrophobicContact CB-CE2 3.63Å; A358-F405 HydrophobicContact CB-CG 3.8Å; A358-F405 HydrophobicContact CB-CZ 4.44Å; A358-V446 HydrophobicContact CB-CG1 4.48Å
359	K	93	Very high	92.4	Very high	52 Å²	52	26.3 Å²	26.3	23%	0.226	16%	0.16	C	C	.	.	H	α-helix	trans	-61.5	-47.3	173.4	-71.3	-177.8	-179.8	-166.9	0	111.5	E283 T355 M356 F357 A362 M363 I371	E283-K359 WeakPolarHBondContact OE1-CE 3.33Å; E283-K359 IonicContact OE1-NZ 2.69Å; E283-K359 PolarHBondContact OE1-NZ 3.16Å; E283-K359 WeakPolarHBondContact OE2-CE 3.48Å; E283-K359 IonicContact OE2-NZ 2.76Å; E283-K359 PolarHBondContact OE2-NZ 3.19Å; T355-K359 WeakPolarHBondContact O-CG 3.47Å; T355-K359 PolarHBondContact O-N 3.38Å; M356-K359 PolarHBondContact O-N 2.85Å; F357-K359 PolarHBondContact O-N 3.07Å; K359-A362 PolarHBondContact O-N 3.24Å; K359-M363 WeakPolarHBondContact O-CG 3.07Å; K359-M363 PolarHBondContact O-N 3.37Å; K359-M363 VanDerWaalsContact O-N 3.07Å; K359-I371 HydrophobicContact CD-CD1 4.11Å; K359-I371 HydrophobicContact CG-CD1 3.9Å
360	S	92.6	Very high	92.6	Very high	9 Å²	9	24.4 Å²	24.4	6%	0.063	15%	0.148	C	C	.	.	H	α-helix	trans	-64.6	-40.2	-178.7	-162.8	0	0	0	0	112.5	P310 M356 F357 A362 M363 H364	P310-S360 WeakPolarHBondContact CA-OG 3.5Å; P310-S360 WeakPolarHBondContact O-CB 3.29Å; P310-S360 PolarHBondContact O-OG 2.92Å; M356-S360 WeakPolarHBondContact O-CB 3.44Å; M356-S360 PolarHBondContact O-N 2.84Å; F357-S360 PolarHBondContact O-N 3.38Å; F357-S360 VanDerWaalsContact O-N 3.16Å; S360-A362 VanDerWaalsContact C-N 3.34Å; S360-A362 PolarHBondContact O-N 3.22Å; S360-M363 PolarHBondContact O-N 3.49Å; S360-H364 VanDerWaalsContact O-CB 3.3Å; S360-H364 WeakPolarHBondContact O-CB 3Å; S360-H364 PolarHBondContact O-N 2.82Å
361	L	94.5	Very high	92.8	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-59.2	-43.6	174.8	177.1	59.4	0	0	0	111.9	I327 A328 T331 I344 F357 S365 L403 M444	I327-L361 HydrophobicContact CG2-CD1 4.38Å; I327-L361 HydrophobicContact CG2-CD2 4.23Å; A328-L361 HydrophobicContact CB-CD1 3.91Å; T331-L361 HydrophobicContact CG2-CD1 4.37Å; I344-L361 HydrophobicContact CD1-CD2 4.39Å; F357-L361 HydrophobicContact CE1-CB 4.44Å; F357-L361 HydrophobicContact CE1-CD2 4.05Å; F357-L361 HydrophobicContact CZ-CB 4.3Å; F357-L361 HydrophobicContact CZ-CD1 4.46Å; F357-L361 HydrophobicContact CZ-CD2 4.28Å; F357-L361 VanDerWaalsContact O-CB 3.27Å; F357-L361 WeakPolarHBondContact O-CB 3.45Å; F357-L361 PolarHBondContact O-N 2.92Å; L361-S365 VanDerWaalsContact O-CB 3.26Å; L361-S365 WeakPolarHBondContact O-CB 3.46Å; L361-S365 PolarHBondContact O-N 3.3Å; L361-S365 PolarHBondContact O-OG 2.85Å; L361-L403 HydrophobicContact CB-CD1 4.23Å; L361-L403 HydrophobicContact CD2-CD1 3.87Å; L361-L403 HydrophobicContact CG-CD1 3.88Å; L361-M444 HydrophobicContact CD2-CE 4.03Å; L361-M444 HydrophobicContact CD2-SD 4.39Å
362	A	93.1	Very high	92.9	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-63.6	-48.3	176.2	0	0	0	0	0	111.6	A358 K359 S360 S365 G366 M367 Y369 L403	A358-A362 PolarHBondContact O-N 3.12Å; K359-A362 PolarHBondContact O-N 3.24Å; S360-A362 VanDerWaalsContact C-N 3.34Å; S360-A362 PolarHBondContact O-N 3.22Å; A362-S365 CarbonylContact O-C 3.57Å; A362-S365 PolarHBondContact O-N 3.38Å; A362-G366 CarbonylContact O-C 3.52Å; A362-G366 PolarHBondContact O-N 2.88Å; A362-M367 PolarHBondContact O-N 2.83Å; A362-Y369 HydrophobicContact CB-CD1 4.27Å; A362-Y369 HydrophobicContact CB-CG 4.46Å; A362-L403 HydrophobicContact CB-CB 3.91Å; A362-L403 HydrophobicContact CB-CD1 4.08Å; A362-L403 HydrophobicContact CB-CG 4.49Å
363	M	89.9	Confident	92.9	Very high	85 Å²	85	21.6 Å²	21.6	42%	0.419	12%	0.123	S	C	.	.	H	α-helix	trans	-62	-46.2	178.8	-68.5	-173.9	-62.6	0	0	112	K359 S360 S365 G366	K359-M363 WeakPolarHBondContact O-CG 3.07Å; K359-M363 PolarHBondContact O-N 3.37Å; K359-M363 VanDerWaalsContact O-N 3.07Å; S360-M363 PolarHBondContact O-N 3.49Å; M363-S365 VanDerWaalsContact C-N 3.32Å; M363-S365 PolarHBondContact O-N 3.17Å; M363-G366 WeakPolarHBondContact O-CA 3.48Å; M363-G366 PolarHBondContact O-N 3.39Å
364	H	91.5	Very high	92.7	Very high	18 Å²	18	20.4 Å²	20.4	8%	0.083	11%	0.111	C	C	.	.	H	α-helix	trans	-62.2	-39	177.8	-176.6	70.1	0	0	0	112.6	T308 P310 S360 G366	T308-H364 PolarHBondContact O-ND1 3.21Å; P310-H364 HydrophobicContact CB-CB 3.89Å; P310-H364 WeakPolarHBondContact CD-ND1 3.42Å; S360-H364 VanDerWaalsContact O-CB 3.3Å; S360-H364 WeakPolarHBondContact O-CB 3Å; S360-H364 PolarHBondContact O-N 2.82Å; H364-G366 PolarHBondContact O-N 3.46Å
365	S	91	Very high	92.4	Very high	6 Å²	6	21.5 Å²	21.5	4%	0.042	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-4	175.2	-52.5	0	0	0	0	112.3	T331 K335 L361 A362 M363 M367	T331-S365 WeakPolarHBondContact CG2-OG 3.41Å; K335-S365 WeakPolarHBondContact CD-O 3.4Å; K335-S365 PolarHBondContact NZ-O 3.24Å; K335-S365 VanDerWaalsContact NZ-O 3.08Å; L361-S365 VanDerWaalsContact O-CB 3.26Å; L361-S365 WeakPolarHBondContact O-CB 3.46Å; L361-S365 PolarHBondContact O-N 3.3Å; L361-S365 PolarHBondContact O-OG 2.85Å; A362-S365 CarbonylContact O-C 3.57Å; A362-S365 PolarHBondContact O-N 3.38Å; M363-S365 VanDerWaalsContact C-N 3.32Å; M363-S365 PolarHBondContact O-N 3.17Å; S365-M367 PolarHBondContact O-N 2.96Å
366	G	88.5	Confident	92.3	Very high	35 Å²	35	22 Å²	22	36%	0.361	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.6	14.1	-174.4	0	0	0	0	0	114.6	K335 A362 M363 H364	K335-G366 PolarHBondContact NZ-O 2.8Å; A362-G366 CarbonylContact O-C 3.52Å; A362-G366 PolarHBondContact O-N 2.88Å; M363-G366 WeakPolarHBondContact O-CA 3.48Å; M363-G366 PolarHBondContact O-N 3.39Å; H364-G366 PolarHBondContact O-N 3.46Å
367	M	91.4	Very high	92	Very high	7 Å²	7	18.2 Å²	18.2	3%	0.034	11%	0.107	C	C	.	.			trans	-77.7	159.6	175.6	-65.6	-171.4	-67.8	0	0	109.6	T331 K335 Y341 A362 S365 L403 M444	T331-M367 HydrophobicContact CG2-CE 3.59Å; K335-M367 HydrophobicContact CD-CG 3.95Å; K335-M367 VanDerWaalsContact NZ-N 3.14Å; Y341-M367 HydrophobicContact CD1-SD 4.27Å; Y341-M367 HydrophobicContact CE1-SD 3.67Å; Y341-M367 HydrophobicContact CE2-SD 4.24Å; A362-M367 PolarHBondContact O-N 2.83Å; S365-M367 PolarHBondContact O-N 2.96Å; M367-L403 HydrophobicContact CE-CB 4.17Å; M367-L403 HydrophobicContact CE-CD1 4.14Å; M367-M444 HydrophobicContact CE-CB 4.39Å; M367-M444 HydrophobicContact CE-SD 3.86Å
368	D	91.8	Very high	91.3	Very high	16 Å²	16	19.7 Å²	19.7	9%	0.086	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	155	163.5	-56.2	-48.1	0	0	0	109.3	S285 R286 S398 G401 V402 L403	S285-D368 WeakPolarHBondContact OG-CA 3.41Å; S285-D368 WeakPolarHBondContact OG-CB 3.47Å; R286-D368 HydrophobicContact CG-CB 3.51Å; R286-D368 WeakPolarHBondContact CG-OD2 3.49Å; D368-S398 PolarHBondContact OD2-OG 3.37Å; D368-G401 PolarHBondContact N-O 3.41Å; D368-V402 HydrophobicContact CB-CG2 4.31Å; D368-V402 CarbonylContact O-C 3.59Å; D368-V402 VanDerWaalsContact O-CA 3.29Å; D368-V402 WeakPolarHBondContact O-CA 3.1Å; D368-L403 PolarHBondContact O-N 3.42Å
369	Y	93.9	Very high	90.9	Very high	32 Å²	32	24.5 Å²	24.5	13%	0.125	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	153.5	166.9	65.1	-99.4	0	0	0	110.7	E283 T284 S285 A362 I371 L403	E283-Y369 HydrophobicContact CG-CE2 4.01Å; E283-Y369 PolarHBondContact OE1-OH 2.9Å; T284-Y369 WeakPolarHBondContact CA-O 3.43Å; T284-Y369 PolarHBondContact OG1-O 3.46Å; S285-Y369 VanDerWaalsContact CB-CE1 3.46Å; S285-Y369 PolarHBondContact N-O 3.38Å; S285-Y369 PolarHBondContact OG-N 3.29Å; A362-Y369 HydrophobicContact CB-CD1 4.27Å; A362-Y369 HydrophobicContact CB-CG 4.46Å; Y369-I371 HydrophobicContact CD2-CD1 4.28Å; Y369-I371 HydrophobicContact CD2-CG1 4.2Å; Y369-I371 HydrophobicContact CE2-CD1 4.36Å; Y369-L403 CarbonylContact C-O 3.53Å; Y369-L403 WeakPolarHBondContact CA-O 3.12Å
370	A	94.8	Very high	90.4	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	128	165.8	0	0	0	0	0	109.3	V281 E283 W394 V402 L403 L404 F405	V281-A370 HydrophobicContact CG1-CB 3.85Å; V281-A370 HydrophobicContact CG2-CB 4.32Å; E283-A370 CarbonylContact O-C 3.6Å; E283-A370 WeakPolarHBondContact O-CA 3.37Å; A370-W394 HydrophobicContact CB-CH2 3.89Å; A370-W394 HydrophobicContact CB-CZ3 3.6Å; A370-V402 HydrophobicContact CB-CG1 3.95Å; A370-L403 PolarHBondContact N-O 2.69Å; A370-L404 HydrophobicContact CB-CD2 4.07Å; A370-F405 PolarHBondContact O-N 2.93Å
371	I	95.2	Very high	89.9	Confident	16 Å²	16	25.3 Å²	25.3	8%	0.082	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	124.9	-177.4	-66.6	173.4	0	0	0	108.9	V281 R282 E283 T355 K359 Y369 F405	V281-I371 CarbonylContact C-O 3.59Å; R282-I371 PolarHBondContact N-O 2.96Å; E283-I371 HydrophobicContact CB-CB 4.27Å; E283-I371 HydrophobicContact CB-CD1 4.36Å; E283-I371 PolarHBondContact O-N 3.39Å; T355-I371 HydrophobicContact CG2-CD1 4.13Å; K359-I371 HydrophobicContact CD-CD1 4.11Å; K359-I371 HydrophobicContact CG-CD1 3.9Å; Y369-I371 HydrophobicContact CD2-CD1 4.28Å; Y369-I371 HydrophobicContact CD2-CG1 4.2Å; Y369-I371 HydrophobicContact CE2-CD1 4.36Å; I371-F405 CarbonylContact C-O 3.56Å; I371-F405 WeakPolarHBondContact CA-O 3.13Å; I371-F405 HydrophobicContact CB-CD1 4.5Å; I371-F405 HydrophobicContact CG1-CB 4.18Å; I371-F405 HydrophobicContact CG1-CD1 4.06Å; I371-F405 HydrophobicContact CG2-CD1 4.08Å
372	L	94.4	Very high	89.4	Confident	8 Å²	8	29.8 Å²	29.8	4%	0.042	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	159.8	173.4	-61.8	94.6	0	0	0	108.3	L280 V281 V391 L404 F405 V406 D407	L280-L372 HydrophobicContact CB-CD2 3.89Å; V281-L372 HydrophobicContact CG2-CD1 4.48Å; V281-L372 HydrophobicContact CG2-CG 4.38Å; L372-V391 HydrophobicContact CD1-CG1 4.15Å; L372-V391 HydrophobicContact CD2-CB 4.21Å; L372-V391 HydrophobicContact CD2-CG1 3.63Å; L372-V391 HydrophobicContact CD2-CG2 3.72Å; L372-L404 HydrophobicContact CD1-CD2 4.12Å; L372-F405 PolarHBondContact N-O 3.4Å; L372-V406 HydrophobicContact CB-CG2 4.37Å; L372-D407 PolarHBondContact O-N 3.28Å
373	T	93.1	Very high	89.2	Confident	7 Å²	7	36 Å²	36	4%	0.043	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	140.8	168.1	174.5	0	0	0	0	109.3	G375 D376 D407	T373-G375 PolarHBondContact O-N 3.12Å; T373-G375 PolarHBondContact OG1-N 3.37Å; T373-D376 HydrophobicContact CG2-CB 3.6Å; T373-D376 WeakPolarHBondContact CG2-OD2 3.04Å; T373-D376 PolarHBondContact O-N 3.4Å; T373-D407 CarbonylContact C-O 3.59Å; T373-D407 VanDerWaalsContact CA-O 3.32Å; T373-D407 WeakPolarHBondContact CA-O 3.38Å
374	G	88.9	Confident	89.1	Confident	0 Å²	0	32 Å²	32	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-65.1	-28.6	172.6	0	0	0	0	0	112.4	D376 I377 A378 D407 E408 A411 F412	G374-D376 VanDerWaalsContact C-N 3.27Å; G374-D376 PolarHBondContact O-N 3.46Å; G374-I377 PolarHBondContact O-N 2.93Å; G374-I377 VanDerWaalsContact O-N 3.12Å; G374-A378 PolarHBondContact O-N 3.17Å; G374-A378 VanDerWaalsContact O-N 3.14Å; G374-D407 PolarHBondContact N-O 3.5Å; G374-E408 WeakPolarHBondContact CA-O 3.26Å; G374-A411 VanDerWaalsContact C-CB 3.45Å; G374-F412 VanDerWaalsContact CA-CD1 3.49Å
375	G	87.8	Confident	89.1	Confident	31 Å²	31	32.8 Å²	32.8	32%	0.32	21%	0.208	S	C	.	.	H	α-helix	trans	-63.8	-28.5	178.3	0	0	0	0	0	114	T373 P379	T373-G375 PolarHBondContact O-N 3.12Å; T373-G375 PolarHBondContact OG1-N 3.37Å; G375-P379 WeakPolarHBondContact O-CD 3.45Å
376	D	89.9	Confident	89.1	Confident	55 Å²	55	36 Å²	36	29%	0.294	23%	0.228	S	C	.	.	H	α-helix	trans	-81.7	-22.6	175.8	-66.4	-11.8	0	0	0	111.9	L280 R282 T373 G374 M380	L280-D376 HydrophobicContact CD2-CB 4.25Å; R282-D376 IonicContact CZ-OD1 3.16Å; R282-D376 IonicContact CZ-OD2 3.86Å; R282-D376 VanDerWaalsContact CZ-OD2 3.32Å; R282-D376 IonicContact NE-OD1 2.88Å; R282-D376 IonicContact NE-OD2 3.78Å; R282-D376 PolarHBondContact NE-OD2 2.96Å; R282-D376 VanDerWaalsContact NH2-CG 3.29Å; R282-D376 IonicContact NH2-OD1 2.64Å; R282-D376 PolarHBondContact NH2-OD1 3.36Å; R282-D376 IonicContact NH2-OD2 3.83Å; R282-D376 PolarHBondContact NH2-OD2 3.28Å; R282-D376 VanDerWaalsContact NH2-OD2 3.13Å; T373-D376 HydrophobicContact CG2-CB 3.6Å; T373-D376 WeakPolarHBondContact CG2-OD2 3.04Å; T373-D376 PolarHBondContact O-N 3.4Å; G374-D376 VanDerWaalsContact C-N 3.27Å; G374-D376 PolarHBondContact O-N 3.46Å; D376-M380 VanDerWaalsContact O-CG 3.31Å; D376-M380 WeakPolarHBondContact O-CG 3.41Å
377	I	87.3	Confident	89.3	Confident	4 Å²	4	35 Å²	35	2%	0.021	22%	0.215	C	C	.	.	H	α-helix	trans	-83.1	-44.5	-176.3	-63.7	171.3	0	0	0	111	L280 G374 P379 M380 V388 F412 T428	L280-I377 HydrophobicContact CD1-CD1 4.41Å; L280-I377 HydrophobicContact CD1-CG1 3.97Å; L280-I377 HydrophobicContact CD2-CG1 3.63Å; L280-I377 HydrophobicContact CG-CG1 4.42Å; G374-I377 PolarHBondContact O-N 2.93Å; G374-I377 VanDerWaalsContact O-N 3.12Å; I377-P379 VanDerWaalsContact C-CD 3.49Å; I377-M380 PolarHBondContact O-N 2.93Å; I377-M380 VanDerWaalsContact O-N 3.17Å; I377-V388 HydrophobicContact CG2-CG2 4.34Å; I377-F412 HydrophobicContact CB-CD1 4.23Å; I377-F412 HydrophobicContact CB-CG 4.35Å; I377-F412 HydrophobicContact CD1-CD1 4.18Å; I377-F412 HydrophobicContact CD1-CE1 3.75Å; I377-F412 HydrophobicContact CD1-CE2 4.49Å; I377-F412 HydrophobicContact CD1-CZ 3.93Å; I377-F412 HydrophobicContact CG2-CB 4.3Å; I377-F412 HydrophobicContact CG2-CD1 4.32Å; I377-F412 HydrophobicContact CG2-CD2 4.13Å; I377-F412 HydrophobicContact CG2-CG 3.99Å; I377-T428 HydrophobicContact CG2-CG2 3.42Å; I377-T428 VanDerWaalsContact CG2-CG2 3.42Å
378	A	81.2	Confident	89.3	Confident	31 Å²	31	34.9 Å²	34.9	26%	0.256	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-52.1	-44.4	-177.8	0	0	0	0	0	114.8	G374 M380	G374-A378 PolarHBondContact O-N 3.17Å; G374-A378 VanDerWaalsContact O-N 3.14Å; A378-M380 VanDerWaalsContact C-N 3.33Å; A378-M380 PolarHBondContact O-N 3.45Å
379	P	84.8	Confident	89.3	Confident	103 Å²	103	36.8 Å²	36.8	67%	0.669	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	-76.3	-11.4	-178.2	29.2	-35.7	0	0	0	114.8	G375 I377 G381	G375-P379 WeakPolarHBondContact O-CD 3.45Å; I377-P379 VanDerWaalsContact C-CD 3.49Å; P379-G381 PolarHBondContact O-N 3.4Å
380	M	83.8	Confident	89.1	Confident	54 Å²	54	41.7 Å²	41.7	27%	0.266	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-71.9	-14.1	-175.4	-62.1	-170.8	76.1	0	0	114.2	L280 D376 I377 A378 S382 E383 A387	L280-M380 HydrophobicContact CD1-SD 4.5Å; L280-M380 HydrophobicContact CD2-SD 3.58Å; L280-M380 VanDerWaalsContact CD2-SD 3.58Å; L280-M380 HydrophobicContact CG-SD 4.16Å; D376-M380 VanDerWaalsContact O-CG 3.31Å; D376-M380 WeakPolarHBondContact O-CG 3.41Å; I377-M380 PolarHBondContact O-N 2.93Å; I377-M380 VanDerWaalsContact O-N 3.17Å; A378-M380 VanDerWaalsContact C-N 3.33Å; A378-M380 PolarHBondContact O-N 3.45Å; M380-S382 PolarHBondContact O-N 2.98Å; M380-E383 HydrophobicContact CB-CB 4.33Å; M380-E383 HydrophobicContact CE-CB 4.1Å; M380-E383 WeakPolarHBondContact O-CB 3.36Å; M380-E383 PolarHBondContact O-N 2.74Å; M380-E383 VanDerWaalsContact O-N 3.14Å; M380-A387 HydrophobicContact CE-CB 3.76Å; M380-A387 HydrophobicContact SD-CB 3.92Å
381	G	81.3	Confident	89	Confident	23 Å²	23	41.9 Å²	41.9	24%	0.237	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.9	-125.4	-177.7	0	0	0	0	0	112.3	P379 E383 G384 T428	P379-G381 PolarHBondContact O-N 3.4Å; G381-E383 VanDerWaalsContact C-N 3.32Å; G381-E383 PolarHBondContact O-N 2.99Å; G381-G384 PolarHBondContact O-N 3.48Å; G381-T428 PolarHBondContact O-OG1 3.4Å
382	S	83	Confident	88.9	Confident	95 Å²	95	41.3 Å²	41.3	66%	0.664	24%	0.244	S	C	*	.	H	α-helix	trans	-68.5	-27.3	179.1	54.9	0	0	0	0	113.5	M380 G384 V385	M380-S382 PolarHBondContact O-N 2.98Å; S382-G384 PolarHBondContact O-N 3.24Å; S382-V385 PolarHBondContact O-N 2.75Å
383	E	88.7	Confident	88.7	Confident	131 Å²	131	45 Å²	45	61%	0.612	26%	0.261	S	S	*	.	H	α-helix	trans	-67.7	-25.2	176.6	-62.1	-173	177.2	0	0	112.1	M380 G381 V385 T386 A387	M380-E383 HydrophobicContact CB-CB 4.33Å; M380-E383 HydrophobicContact CE-CB 4.1Å; M380-E383 WeakPolarHBondContact O-CB 3.36Å; M380-E383 PolarHBondContact O-N 2.74Å; M380-E383 VanDerWaalsContact O-N 3.14Å; G381-E383 VanDerWaalsContact C-N 3.32Å; G381-E383 PolarHBondContact O-N 2.99Å; E383-V385 VanDerWaalsContact C-N 3.26Å; E383-V385 PolarHBondContact O-N 2.72Å; E383-T386 PolarHBondContact O-N 3.49Å; E383-T386 VanDerWaalsContact O-N 3.14Å; E383-A387 WeakPolarHBondContact O-CB 3.47Å; E383-A387 PolarHBondContact O-N 3.08Å
384	G	89.4	Confident	88.5	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-56	-40.2	177.5	0	0	0	0	0	112.3	G381 S382 A387 V388	G381-G384 PolarHBondContact O-N 3.48Å; S382-G384 PolarHBondContact O-N 3.24Å; G384-A387 PolarHBondContact O-N 2.91Å; G384-V388 WeakPolarHBondContact O-CB 3.22Å; G384-V388 VanDerWaalsContact O-CG2 3.31Å; G384-V388 WeakPolarHBondContact O-CG2 3.42Å; G384-V388 PolarHBondContact O-N 3.13Å
385	V	91.5	Very high	88.6	Confident	34 Å²	34	45.4 Å²	45.4	21%	0.206	26%	0.261	C	S	.	.	H	α-helix	trans	-57	-54.4	175.3	173.7	0	0	0	0	110.6	S382 E383 A387 V388 H389 A427 T428 A431	S382-V385 PolarHBondContact O-N 2.75Å; E383-V385 VanDerWaalsContact C-N 3.26Å; E383-V385 PolarHBondContact O-N 2.72Å; V385-A387 VanDerWaalsContact C-N 3.3Å; V385-A387 PolarHBondContact O-N 3.3Å; V385-V388 PolarHBondContact O-N 3.43Å; V385-H389 PolarHBondContact O-CD2 3.48Å; V385-H389 PolarHBondContact O-N 3.19Å; V385-A427 HydrophobicContact CG2-CB 3.74Å; V385-T428 PolarHBondContact N-OG1 3.12Å; V385-A431 HydrophobicContact CB-CB 4.36Å; V385-A431 HydrophobicContact CG1-CB 3.83Å; V385-A431 HydrophobicContact CG2-CB 4.33Å
386	T	91.2	Very high	88.7	Confident	75 Å²	75	47.7 Å²	47.7	46%	0.46	26%	0.262	S	S	.	.	H	α-helix	trans	-61.2	-41.8	-179	-61.7	0	0	0	0	111.1	E383 H389 K390	E383-T386 PolarHBondContact O-N 3.49Å; E383-T386 VanDerWaalsContact O-N 3.14Å; T386-H389 PolarHBondContact O-N 3.24Å; T386-K390 HydrophobicContact CG2-CD 4.28Å; T386-K390 WeakPolarHBondContact O-CG 3.47Å; T386-K390 PolarHBondContact O-N 2.84Å
387	A	91.4	Very high	88.5	Confident	13 Å²	13	48.7 Å²	48.7	11%	0.107	27%	0.27	C	S	.	.	H	α-helix	trans	-65.2	-43.1	179.6	0	0	0	0	0	112	L280 M380 E383 G384 V385 K390 V391	L280-A387 HydrophobicContact CD1-CB 3.39Å; L280-A387 HydrophobicContact CG-CB 3.85Å; M380-A387 HydrophobicContact CE-CB 3.76Å; M380-A387 HydrophobicContact SD-CB 3.92Å; E383-A387 WeakPolarHBondContact O-CB 3.47Å; E383-A387 PolarHBondContact O-N 3.08Å; G384-A387 PolarHBondContact O-N 2.91Å; V385-A387 VanDerWaalsContact C-N 3.3Å; V385-A387 PolarHBondContact O-N 3.3Å; A387-K390 PolarHBondContact O-N 3.37Å; A387-V391 WeakPolarHBondContact O-CG2 3.36Å; A387-V391 PolarHBondContact O-N 2.85Å
388	V	92.6	Very high	88.4	Confident	5 Å²	5	48.7 Å²	48.7	3%	0.03	27%	0.271	C	S	.	.	H	α-helix	trans	-60.1	-47.3	173.3	169.3	0	0	0	0	110.7	L280 I377 G384 V385 K390 V391 F392 T428 F432	L280-V388 HydrophobicContact CD1-CG2 4.44Å; I377-V388 HydrophobicContact CG2-CG2 4.34Å; G384-V388 WeakPolarHBondContact O-CB 3.22Å; G384-V388 VanDerWaalsContact O-CG2 3.31Å; G384-V388 WeakPolarHBondContact O-CG2 3.42Å; G384-V388 PolarHBondContact O-N 3.13Å; V385-V388 PolarHBondContact O-N 3.43Å; V388-K390 VanDerWaalsContact C-N 3.32Å; V388-K390 PolarHBondContact O-N 2.96Å; V388-V391 PolarHBondContact O-N 3.29Å; V388-F392 HydrophobicContact CG1-CD2 3.79Å; V388-F392 HydrophobicContact CG1-CE2 3.76Å; V388-F392 WeakPolarHBondContact O-CD2 3.22Å; V388-F392 PolarHBondContact O-N 3.19Å; V388-F392 VanDerWaalsContact O-N 3.14Å; V388-T428 HydrophobicContact CG2-CG2 3.68Å; V388-F432 HydrophobicContact CG1-CB 4.28Å; V388-F432 HydrophobicContact CG1-CD2 4.24Å
389	H	90.9	Very high	88.6	Confident	56 Å²	56	59.1 Å²	59.1	26%	0.259	30%	0.304	S	S	.	.	H	α-helix	trans	-57.4	-44	176.1	-77.3	-75.3	0	0	0	112.1	V385 T386 V391 F392 E393 R435	V385-H389 PolarHBondContact O-CD2 3.48Å; V385-H389 PolarHBondContact O-N 3.19Å; T386-H389 PolarHBondContact O-N 3.24Å; H389-V391 PolarHBondContact O-N 2.98Å; H389-F392 PolarHBondContact O-N 3.44Å; H389-E393 WeakPolarHBondContact O-CG 3.31Å; H389-E393 PolarHBondContact O-N 3.39Å; H389-R435 VanDerWaalsContact ND1-CZ 3.32Å; H389-R435 PolarHBondContact ND1-NE 2.89Å; H389-R435 PolarHBondContact ND1-NH2 3.41Å; H389-R435 VanDerWaalsContact ND1-NH2 3.1Å
390	K	90.6	Very high	88.7	Confident	134 Å²	134	58.7 Å²	58.7	58%	0.583	29%	0.291	S	S	*	.	H	α-helix	trans	-61.5	-41.8	178	-75.6	175.3	179.3	175.9	0	112.3	T386 A387 V388 W394	T386-K390 HydrophobicContact CG2-CD 4.28Å; T386-K390 WeakPolarHBondContact O-CG 3.47Å; T386-K390 PolarHBondContact O-N 2.84Å; A387-K390 PolarHBondContact O-N 3.37Å; V388-K390 VanDerWaalsContact C-N 3.32Å; V388-K390 PolarHBondContact O-N 2.96Å; K390-W394 WeakPolarHBondContact O-CB 3.38Å; K390-W394 PolarHBondContact O-N 3.42Å
391	V	92.1	Very high	89	Confident	4 Å²	4	56.3 Å²	56.3	2%	0.024	28%	0.281	C	S	.	.	H	α-helix	trans	-61.5	-49.2	177.7	170.7	0	0	0	0	111.1	P278 L280 V281 L372 A387 V388 H389 W394 A395 L404	P278-V391 HydrophobicContact CB-CG2 3.86Å; P278-V391 HydrophobicContact CG-CG2 4.3Å; L280-V391 HydrophobicContact CB-CG2 3.88Å; L280-V391 HydrophobicContact CD1-CG2 4.08Å; V281-V391 HydrophobicContact CG2-CG2 4.32Å; L372-V391 HydrophobicContact CD1-CG1 4.15Å; L372-V391 HydrophobicContact CD2-CB 4.21Å; L372-V391 HydrophobicContact CD2-CG1 3.63Å; L372-V391 HydrophobicContact CD2-CG2 3.72Å; A387-V391 WeakPolarHBondContact O-CG2 3.36Å; A387-V391 PolarHBondContact O-N 2.85Å; V388-V391 PolarHBondContact O-N 3.29Å; H389-V391 PolarHBondContact O-N 2.98Å; V391-W394 PolarHBondContact O-N 3.11Å; V391-A395 WeakPolarHBondContact O-CB 3.39Å; V391-A395 PolarHBondContact O-N 2.95Å; V391-L404 HydrophobicContact CG1-CD2 3.93Å
392	F	92.6	Very high	89.6	Confident	5 Å²	5	55.2 Å²	55.2	2%	0.022	27%	0.269	C	S	.	.	H	α-helix	trans	-66.2	-40.9	-179.1	-82.1	-79.2	0	0	0	112.4	V388 H389 A395 K396 L404 F432 R435 T436 F443	V388-F392 HydrophobicContact CG1-CD2 3.79Å; V388-F392 HydrophobicContact CG1-CE2 3.76Å; V388-F392 WeakPolarHBondContact O-CD2 3.22Å; V388-F392 PolarHBondContact O-N 3.19Å; V388-F392 VanDerWaalsContact O-N 3.14Å; H389-F392 PolarHBondContact O-N 3.44Å; F392-A395 PolarHBondContact O-N 3.47Å; F392-K396 WeakPolarHBondContact O-CG 3.38Å; F392-K396 PolarHBondContact O-N 3.36Å; F392-K396 VanDerWaalsContact O-N 3.09Å; F392-L404 HydrophobicContact CD1-CD1 3.84Å; F392-L404 HydrophobicContact CE1-CD1 3.78Å; F392-L404 HydrophobicContact CZ-CD1 4.48Å; F392-F432 AromaticContact CE2-CD2 3.7Å; F392-F432 HydrophobicContact CE2-CD2 3.7Å; F392-F432 AromaticContact CE2-CE2 3.82Å; F392-F432 HydrophobicContact CE2-CE2 3.82Å; F392-F432 AromaticContact CZ-CD2 3.96Å; F392-F432 HydrophobicContact CZ-CD2 3.96Å; F392-F432 AromaticContact CZ-CE2 3.66Å; F392-F432 HydrophobicContact CZ-CE2 3.66Å; F392-F432 HydrophobicContact CZ-CZ 4.22Å; F392-R435 HydrophobicContact CB-CB 4.38Å; F392-R435 HydrophobicContact CB-CG 4.11Å; F392-R435 HydrophobicContact CD1-CB 3.94Å; F392-R435 HydrophobicContact CD2-CB 3.63Å; F392-R435 HydrophobicContact CD2-CG 3.71Å; F392-R435 HydrophobicContact CE1-CB 4.06Å; F392-R435 HydrophobicContact CE2-CB 3.76Å; F392-R435 HydrophobicContact CE2-CG 4.25Å; F392-R435 HydrophobicContact CG-CB 3.72Å; F392-R435 HydrophobicContact CG-CG 3.89Å; F392-R435 HydrophobicContact CZ-CB 3.97Å; F392-T436 HydrophobicContact CE1-CG2 4.22Å; F392-T436 HydrophobicContact CZ-CG2 3.89Å; F392-F443 HydrophobicContact CD1-CD1 4.45Å; F392-F443 HydrophobicContact CD1-CD2 4.46Å; F392-F443 HydrophobicContact CD1-CE1 4Å; F392-F443 HydrophobicContact CD1-CE2 4.03Å; F392-F443 AromaticContact CD1-CZ 3.78Å; F392-F443 HydrophobicContact CD1-CZ 3.78Å; F392-F443 HydrophobicContact CE1-CD2 4.22Å; F392-F443 HydrophobicContact CE1-CE1 4.44Å; F392-F443 AromaticContact CE1-CE2 3.65Å; F392-F443 HydrophobicContact CE1-CE2 3.65Å; F392-F443 AromaticContact CE1-CZ 3.77Å; F392-F443 HydrophobicContact CE1-CZ 3.77Å
393	E	90.4	Very high	90.2	Very high	85 Å²	85	50.7 Å²	50.7	40%	0.397	24%	0.238	S	C	.	.	H	α-helix	trans	-64.7	-44.4	174.6	-70	-53.1	142.5	0	0	111.5	H389 A395 K396 T397 R435	H389-E393 WeakPolarHBondContact O-CG 3.31Å; H389-E393 PolarHBondContact O-N 3.39Å; E393-A395 VanDerWaalsContact C-N 3.32Å; E393-A395 PolarHBondContact O-N 2.99Å; E393-K396 PolarHBondContact O-N 3.42Å; E393-K396 IonicContact OE1-NZ 3.82Å; E393-T397 WeakPolarHBondContact O-CG2 3.26Å; E393-T397 PolarHBondContact O-N 2.82Å; E393-R435 IonicContact OE1-CZ 3.5Å; E393-R435 IonicContact OE1-NH1 3.2Å; E393-R435 PolarHBondContact OE1-NH1 3.44Å; E393-R435 IonicContact OE1-NH2 2.94Å; E393-R435 PolarHBondContact OE1-NH2 2.94Å
394	W	89.1	Confident	90.6	Very high	16 Å²	16	44.6 Å²	44.6	6%	0.061	21%	0.209	C	C	.	.	H	α-helix	trans	-59.1	-42.9	174.1	173.8	88.8	0	0	0	111.5	G276 P278 V281 T284 R286 A370 K390 V391 K396 T397 V402	G276-W394 PolarHBondContact O-NE1 2.8Å; P278-W394 HydrophobicContact CG-CB 3.72Å; P278-W394 HydrophobicContact CG-CD2 3.78Å; P278-W394 HydrophobicContact CG-CE3 4.12Å; P278-W394 HydrophobicContact CG-CG 3.62Å; V281-W394 HydrophobicContact CG2-CZ3 4.23Å; T284-W394 HydrophobicContact CG2-CH2 4.44Å; T284-W394 WeakPolarHBondContact OG1-CH2 3.48Å; R286-W394 HydrophobicContact CB-CH2 4.39Å; R286-W394 HydrophobicContact CB-CZ2 4.07Å; R286-W394 VanDerWaalsContact CD-CZ2 3.49Å; R286-W394 HydrophobicContact CG-CH2 4.12Å; R286-W394 HydrophobicContact CG-CZ2 4.14Å; R286-W394 VanDerWaalsContact NH1-CE2 3.28Å; R286-W394 PolarHBondContact NH1-O 2.83Å; A370-W394 HydrophobicContact CB-CH2 3.89Å; A370-W394 HydrophobicContact CB-CZ3 3.6Å; K390-W394 WeakPolarHBondContact O-CB 3.38Å; K390-W394 PolarHBondContact O-N 3.42Å; V391-W394 PolarHBondContact O-N 3.11Å; W394-K396 VanDerWaalsContact C-N 3.31Å; W394-K396 PolarHBondContact O-N 2.82Å; W394-T397 PolarHBondContact O-N 3.46Å; W394-T397 VanDerWaalsContact O-N 3.14Å; W394-T397 PolarHBondContact O-OG1 3.16Å; W394-V402 HydrophobicContact CZ3-CG1 4.45Å
395	A	90.9	Very high	91	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-60.4	-40.7	177.8	0	0	0	0	0	112.1	V391 F392 E393 T397 S398 V402 L404 F443	V391-A395 WeakPolarHBondContact O-CB 3.39Å; V391-A395 PolarHBondContact O-N 2.95Å; F392-A395 PolarHBondContact O-N 3.47Å; E393-A395 VanDerWaalsContact C-N 3.32Å; E393-A395 PolarHBondContact O-N 2.99Å; A395-T397 PolarHBondContact O-N 2.79Å; A395-S398 PolarHBondContact O-N 2.83Å; A395-V402 HydrophobicContact CB-CB 4.23Å; A395-V402 HydrophobicContact CB-CG2 4.35Å; A395-V402 WeakPolarHBondContact O-CG2 3.5Å; A395-L404 HydrophobicContact CB-CD1 3.85Å; A395-L404 HydrophobicContact CB-CD2 3.95Å; A395-L404 HydrophobicContact CB-CG 4.13Å; A395-F443 HydrophobicContact CB-CB 4.29Å
396	K	89.6	Confident	91.2	Very high	78 Å²	78	43.2 Å²	43.2	34%	0.339	20%	0.201	S	C	.	.	H	α-helix	trans	-63.7	-24	177.8	-72.4	174.1	-178.4	-178.3	0	113.7	F392 E393 W394 S398 K442 F443	F392-K396 WeakPolarHBondContact O-CG 3.38Å; F392-K396 PolarHBondContact O-N 3.36Å; F392-K396 VanDerWaalsContact O-N 3.09Å; E393-K396 PolarHBondContact O-N 3.42Å; E393-K396 IonicContact OE1-NZ 3.82Å; W394-K396 VanDerWaalsContact C-N 3.31Å; W394-K396 PolarHBondContact O-N 2.82Å; K396-S398 VanDerWaalsContact C-N 3.28Å; K396-S398 PolarHBondContact O-N 3.31Å; K396-K442 HydrophobicContact CG-CB 4.32Å; K396-F443 HydrophobicContact CG-CD1 4.26Å
397	T	86.7	Confident	91.4	Very high	76 Å²	76	41.5 Å²	41.5	47%	0.466	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-13.2	178.2	72.4	0	0	0	0	113.9	R286 E393 W394 A395	R286-T397 PolarHBondContact NH1-OG1 3.28Å; R286-T397 PolarHBondContact NH2-OG1 2.84Å; E393-T397 WeakPolarHBondContact O-CG2 3.26Å; E393-T397 PolarHBondContact O-N 2.82Å; W394-T397 PolarHBondContact O-N 3.46Å; W394-T397 VanDerWaalsContact O-N 3.14Å; W394-T397 PolarHBondContact O-OG1 3.16Å; A395-T397 PolarHBondContact O-N 2.79Å
398	S	85.2	Confident	91.4	Very high	4 Å²	4	45.3 Å²	45.3	3%	0.028	20%	0.204	C	C	.	.			trans	-67.9	136.5	178.4	-178.8	0	0	0	0	111.7	D368 A395 K396 K400 G401	D368-S398 PolarHBondContact OD2-OG 3.37Å; A395-S398 PolarHBondContact O-N 2.83Å; K396-S398 VanDerWaalsContact C-N 3.28Å; K396-S398 PolarHBondContact O-N 3.31Å; S398-K400 PolarHBondContact OG-N 2.91Å; S398-G401 PolarHBondContact OG-N 3.43Å
399	R	84.6	Confident	91.5	Very high	250 Å²	250	45 Å²	45	94%	0.943	20%	0.203	S	C	*	.	S	Bend	trans	-74	-32.6	173	-65	-176.8	-178.5	174.7	0.3	112.4
400	K	86.3	Confident	91.5	Very high	95 Å²	95	43.1 Å²	43.1	41%	0.413	20%	0.195	S	C	.	.	S	Bend	trans	-84.8	-14.4	-177.2	-66.8	-176.8	178.5	-178.1	0	113.1	K335 S398	K335-K400 WeakPolarHBondContact CE-O 3.34Å; K335-K400 PolarHBondContact NZ-O 2.65Å; S398-K400 PolarHBondContact OG-N 2.91Å
401	G	91	Very high	91.4	Very high	4 Å²	4	38.2 Å²	38.2	4%	0.041	18%	0.179	C	C	.	.			trans	81.3	154.5	-164.4	0	0	0	0	0	111.9	D368 S398 K442	D368-G401 PolarHBondContact N-O 3.41Å; S398-G401 PolarHBondContact OG-N 3.43Å; G401-K442 CarbonylContact C-O 3.6Å; G401-K442 WeakPolarHBondContact CA-O 3.36Å
402	V	93.6	Very high	91.3	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	129.2	-176.9	-172	0	0	0	0	111.3	D368 A370 W394 A395 L404 K442 F443 M444	D368-V402 HydrophobicContact CB-CG2 4.31Å; D368-V402 CarbonylContact O-C 3.59Å; D368-V402 VanDerWaalsContact O-CA 3.29Å; D368-V402 WeakPolarHBondContact O-CA 3.1Å; A370-V402 HydrophobicContact CB-CG1 3.95Å; W394-V402 HydrophobicContact CZ3-CG1 4.45Å; A395-V402 HydrophobicContact CB-CB 4.23Å; A395-V402 HydrophobicContact CB-CG2 4.35Å; A395-V402 WeakPolarHBondContact O-CG2 3.5Å; V402-L404 HydrophobicContact CG1-CD2 4.12Å; V402-L404 HydrophobicContact CG1-CG 4.44Å; V402-L404 PolarHBondContact O-N 2.92Å; V402-K442 PolarHBondContact N-O 3.15Å; V402-F443 CarbonylContact O-C 3.58Å; V402-F443 WeakPolarHBondContact O-CA 3.26Å; V402-F443 WeakPolarHBondContact O-CB 3.49Å; V402-M444 PolarHBondContact O-N 3.22Å
403	L	96.3	Very high	91.2	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	109.5	162.6	-170.4	153.4	0	0	0	108.6	A358 L361 A362 M367 D368 Y369 A370 F405 M444 V446	A358-L403 HydrophobicContact CB-CD2 4.3Å; L361-L403 HydrophobicContact CB-CD1 4.23Å; L361-L403 HydrophobicContact CD2-CD1 3.87Å; L361-L403 HydrophobicContact CG-CD1 3.88Å; A362-L403 HydrophobicContact CB-CB 3.91Å; A362-L403 HydrophobicContact CB-CD1 4.08Å; A362-L403 HydrophobicContact CB-CG 4.49Å; M367-L403 HydrophobicContact CE-CB 4.17Å; M367-L403 HydrophobicContact CE-CD1 4.14Å; D368-L403 PolarHBondContact O-N 3.42Å; Y369-L403 CarbonylContact C-O 3.53Å; Y369-L403 WeakPolarHBondContact CA-O 3.12Å; A370-L403 PolarHBondContact N-O 2.69Å; L403-F405 HydrophobicContact CD2-CB 3.95Å; L403-M444 CarbonylContact C-O 3.55Å; L403-M444 WeakPolarHBondContact CA-O 3.41Å; L403-M444 HydrophobicContact CD1-SD 3.94Å; L403-M444 HydrophobicContact CG-SD 4.41Å; L403-V446 HydrophobicContact CD1-CG2 4.01Å; L403-V446 HydrophobicContact CD2-CB 4.14Å; L403-V446 HydrophobicContact CD2-CG2 3.83Å; L403-V446 HydrophobicContact CG-CG2 3.89Å
404	L	96.4	Very high	90.9	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.01	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	104.1	175	-69.9	175.4	0	0	0	108.8	A370 L372 V391 F392 A395 V402 F443 M444 L445 V446	A370-L404 HydrophobicContact CB-CD2 4.07Å; L372-L404 HydrophobicContact CD1-CD2 4.12Å; V391-L404 HydrophobicContact CG1-CD2 3.93Å; F392-L404 HydrophobicContact CD1-CD1 3.84Å; F392-L404 HydrophobicContact CE1-CD1 3.78Å; F392-L404 HydrophobicContact CZ-CD1 4.48Å; A395-L404 HydrophobicContact CB-CD1 3.85Å; A395-L404 HydrophobicContact CB-CD2 3.95Å; A395-L404 HydrophobicContact CB-CG 4.13Å; V402-L404 HydrophobicContact CG1-CD2 4.12Å; V402-L404 HydrophobicContact CG1-CG 4.44Å; V402-L404 PolarHBondContact O-N 2.92Å; L404-F443 HydrophobicContact CD1-CB 4.1Å; L404-F443 HydrophobicContact CD1-CD2 3.92Å; L404-F443 HydrophobicContact CD1-CG 4.04Å; L404-F443 HydrophobicContact CG-CB 4.39Å; L404-M444 PolarHBondContact N-O 3.12Å; L404-L445 HydrophobicContact CB-CD1 4.28Å; L404-V446 PolarHBondContact O-N 3.39Å
405	F	97.2	Very high	90.6	Very high	1 Å²	1	42.1 Å²	42.1	0%	0.004	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	120.5	176.2	-178.5	-104.4	0	0	0	110	M346 T355 A358 A370 I371 L372 L403 D407 V446 A448	M346-F405 HydrophobicContact SD-CE2 4.45Å; T355-F405 HydrophobicContact CG2-CD1 4.16Å; T355-F405 HydrophobicContact CG2-CE1 3.61Å; T355-F405 HydrophobicContact CG2-CZ 4.26Å; A358-F405 HydrophobicContact CB-CB 4.27Å; A358-F405 HydrophobicContact CB-CD2 3.26Å; A358-F405 HydrophobicContact CB-CE2 3.63Å; A358-F405 HydrophobicContact CB-CG 3.8Å; A358-F405 HydrophobicContact CB-CZ 4.44Å; A370-F405 PolarHBondContact O-N 2.93Å; I371-F405 CarbonylContact C-O 3.56Å; I371-F405 WeakPolarHBondContact CA-O 3.13Å; I371-F405 HydrophobicContact CB-CD1 4.5Å; I371-F405 HydrophobicContact CG1-CB 4.18Å; I371-F405 HydrophobicContact CG1-CD1 4.06Å; I371-F405 HydrophobicContact CG2-CD1 4.08Å; L372-F405 PolarHBondContact N-O 3.4Å; L403-F405 HydrophobicContact CD2-CB 3.95Å; F405-D407 HydrophobicContact CD1-CB 4.36Å; F405-D407 HydrophobicContact CE1-CB 3.66Å; F405-D407 HydrophobicContact CZ-CB 4.33Å; F405-V446 CarbonylContact C-O 3.59Å; F405-V446 VanDerWaalsContact CA-O 3.31Å; F405-V446 WeakPolarHBondContact CA-O 3.28Å; F405-V446 HydrophobicContact CD2-CB 3.99Å; F405-V446 HydrophobicContact CD2-CG1 3.64Å; F405-V446 HydrophobicContact CE2-CG1 4Å; F405-A448 HydrophobicContact CE1-CB 4.49Å; F405-A448 HydrophobicContact CE2-CB 3.67Å; F405-A448 HydrophobicContact CZ-CB 3.47Å; F405-A448 VanDerWaalsContact CZ-CB 3.47Å
406	V	96.2	Very high	89.7	Confident	4 Å²	4	45.8 Å²	45.8	2%	0.024	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	102.5	176.8	-172.1	0	0	0	0	108.6	L372 A409 F412 F432 L445 V446 L447 A448	L372-V406 HydrophobicContact CB-CG2 4.37Å; V406-A409 HydrophobicContact CB-CB 4.4Å; V406-A409 HydrophobicContact CG1-CB 3.95Å; V406-F412 HydrophobicContact CG1-CE1 3.73Å; V406-F412 HydrophobicContact CG1-CZ 4.08Å; V406-F432 HydrophobicContact CG2-CE2 4.5Å; V406-L445 HydrophobicContact CG2-CD1 4.13Å; V406-V446 PolarHBondContact N-O 3.24Å; V406-L447 HydrophobicContact CB-CD2 3.72Å; V406-L447 HydrophobicContact CG1-CD2 4.45Å; V406-L447 HydrophobicContact CG2-CD2 3.93Å; V406-A448 PolarHBondContact O-N 2.92Å
407	D	94.8	Very high	88.8	Confident	40 Å²	40	49.1 Å²	49.1	21%	0.214	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	151.1	175.4	-146.1	-14.1	0	0	0	110.9	T355 L372 T373 G374 F405 A409	T355-D407 PolarHBondContact OG1-OD2 2.84Å; T355-D407 VanDerWaalsContact OG1-OD2 3.1Å; L372-D407 PolarHBondContact O-N 3.28Å; T373-D407 CarbonylContact C-O 3.59Å; T373-D407 VanDerWaalsContact CA-O 3.32Å; T373-D407 WeakPolarHBondContact CA-O 3.38Å; G374-D407 PolarHBondContact N-O 3.5Å; F405-D407 HydrophobicContact CD1-CB 4.36Å; F405-D407 HydrophobicContact CE1-CB 3.66Å; F405-D407 HydrophobicContact CZ-CB 4.33Å; D407-A409 PolarHBondContact O-N 3.5Å
408	E	93.2	Very high	87.8	Confident	92 Å²	92	49.2 Å²	49.2	43%	0.43	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.9	43.4	-178.8	-60.2	179.1	170.5	0	0	113.2	G374 D410 A411 A448	G374-E408 WeakPolarHBondContact CA-O 3.26Å; E408-D410 PolarHBondContact O-N 3.32Å; E408-D410 VanDerWaalsContact O-N 3.17Å; E408-A411 VanDerWaalsContact O-CB 3.29Å; E408-A411 WeakPolarHBondContact O-CB 3.12Å; E408-A411 PolarHBondContact O-N 3.02Å; E408-A448 PolarHBondContact N-O 3.45Å
409	A	93.7	Very high	86.4	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-65.3	-20.4	-173.7	0	0	0	0	0	113.1	V406 D407 A411 F412 L413 L447 A448 F455	V406-A409 HydrophobicContact CB-CB 4.4Å; V406-A409 HydrophobicContact CG1-CB 3.95Å; D407-A409 PolarHBondContact O-N 3.5Å; A409-A411 PolarHBondContact O-N 2.72Å; A409-A411 VanDerWaalsContact O-N 3.1Å; A409-F412 HydrophobicContact CB-CE1 4.5Å; A409-F412 PolarHBondContact O-N 3.36Å; A409-L413 HydrophobicContact CB-CD1 3.85Å; A409-L413 HydrophobicContact CB-CG 4.46Å; A409-L413 VanDerWaalsContact O-CB 3.26Å; A409-L413 WeakPolarHBondContact O-CB 3.24Å; A409-L413 WeakPolarHBondContact O-CG 3.17Å; A409-L413 PolarHBondContact O-N 3.33Å; A409-L447 HydrophobicContact CB-CB 4.36Å; A409-L447 HydrophobicContact CB-CD2 4.13Å; A409-A448 PolarHBondContact N-O 2.86Å; A409-F455 HydrophobicContact CB-CZ 3.93Å
410	D	90.8	Very high	85.8	Confident	16 Å²	16	58.4 Å²	58.4	9%	0.086	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-60	-12.9	169.7	44.3	-62.5	0	0	0	114	E408 R414 S449 F455	E408-D410 PolarHBondContact O-N 3.32Å; E408-D410 VanDerWaalsContact O-N 3.17Å; D410-R414 WeakPolarHBondContact O-CG 3.43Å; D410-R414 PolarHBondContact O-NE 3.27Å; D410-S449 WeakPolarHBondContact CB-OG 3.39Å; D410-S449 WeakPolarHBondContact OD1-CB 3.42Å; D410-S449 PolarHBondContact OD1-OG 3.35Å; D410-F455 HydrophobicContact CB-CD1 4.33Å; D410-F455 HydrophobicContact CB-CE1 3.77Å
411	A	88.8	Confident	85.3	Confident	31 Å²	31	55.9 Å²	55.9	26%	0.256	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-67.6	-33.9	175.9	0	0	0	0	0	113.1	G374 E408 A409	G374-A411 VanDerWaalsContact C-CB 3.45Å; E408-A411 VanDerWaalsContact O-CB 3.29Å; E408-A411 WeakPolarHBondContact O-CB 3.12Å; E408-A411 PolarHBondContact O-N 3.02Å; A409-A411 PolarHBondContact O-N 2.72Å; A409-A411 VanDerWaalsContact O-N 3.1Å
412	F	89.3	Confident	84.9	Confident	2 Å²	2	59.3 Å²	59.3	1%	0.009	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.5	-9.2	-178.5	75.9	-79.1	0	0	0	114.3	G374 I377 V406 A409 V425 T428 F432	G374-F412 VanDerWaalsContact CA-CD1 3.49Å; I377-F412 HydrophobicContact CB-CD1 4.23Å; I377-F412 HydrophobicContact CB-CG 4.35Å; I377-F412 HydrophobicContact CD1-CD1 4.18Å; I377-F412 HydrophobicContact CD1-CE1 3.75Å; I377-F412 HydrophobicContact CD1-CE2 4.49Å; I377-F412 HydrophobicContact CD1-CZ 3.93Å; I377-F412 HydrophobicContact CG2-CB 4.3Å; I377-F412 HydrophobicContact CG2-CD1 4.32Å; I377-F412 HydrophobicContact CG2-CD2 4.13Å; I377-F412 HydrophobicContact CG2-CG 3.99Å; V406-F412 HydrophobicContact CG1-CE1 3.73Å; V406-F412 HydrophobicContact CG1-CZ 4.08Å; A409-F412 HydrophobicContact CB-CE1 4.5Å; A409-F412 PolarHBondContact O-N 3.36Å; F412-V425 HydrophobicContact CB-CG1 4.15Å; F412-T428 HydrophobicContact CD2-CG2 4.47Å; F412-F432 HydrophobicContact CE2-CB 4.19Å; F412-F432 AromaticContact CE2-CD2 3.94Å; F412-F432 HydrophobicContact CE2-CD2 3.94Å; F412-F432 AromaticContact CE2-CG 4Å; F412-F432 HydrophobicContact CE2-CG 4Å; F412-F432 HydrophobicContact CZ-CD2 4.09Å; F412-F432 HydrophobicContact CZ-CE2 4.26Å; F412-F432 HydrophobicContact CZ-CG 4.49Å
413	L	90.5	Very high	84.5	Confident	0 Å²	0	66 Å²	66	0%	0	31%	0.31	C	S	.	.			trans	-95.6	25.7	-179.9	-61.2	-175	0	0	0	114.6	A409 L429 F432 L447 F455 D456 I459	A409-L413 HydrophobicContact CB-CD1 3.85Å; A409-L413 HydrophobicContact CB-CG 4.46Å; A409-L413 VanDerWaalsContact O-CB 3.26Å; A409-L413 WeakPolarHBondContact O-CB 3.24Å; A409-L413 WeakPolarHBondContact O-CG 3.17Å; A409-L413 PolarHBondContact O-N 3.33Å; L413-L429 HydrophobicContact CB-CD1 4.35Å; L413-L429 HydrophobicContact CD2-CD1 3.79Å; L413-F432 HydrophobicContact CD1-CE1 4.32Å; L413-F432 HydrophobicContact CD2-CD1 3.86Å; L413-F432 HydrophobicContact CD2-CE1 4.27Å; L413-F432 HydrophobicContact CD2-CG 4.26Å; L413-L447 HydrophobicContact CD1-CD1 3.7Å; L413-L447 HydrophobicContact CD1-CD2 4.23Å; L413-F455 HydrophobicContact CD1-CE2 4.32Å; L413-F455 HydrophobicContact CD1-CZ 4.41Å; L413-F455 WeakPolarHBondContact O-CA 3.46Å; L413-D456 PolarHBondContact O-N 2.92Å; L413-I459 HydrophobicContact CB-CG1 4.33Å; L413-I459 HydrophobicContact CD1-CD1 4.02Å; L413-I459 HydrophobicContact CD1-CG1 4.23Å; L413-I459 HydrophobicContact CD1-CG2 4.17Å; L413-I459 HydrophobicContact CD2-CD1 3.75Å; L413-I459 HydrophobicContact CD2-CG1 4.14Å; L413-I459 HydrophobicContact CG-CD1 4.41Å; L413-I459 HydrophobicContact CG-CG1 4.49Å
414	R	85.6	Confident	84	Confident	90 Å²	90	66.5 Å²	66.5	34%	0.34	32%	0.316	S	S	.	.	B	Isolated β-bridge	trans	-73.7	154.8	-175.7	-60.9	-172.5	176.8	-155.9	-6.2	113.2	D410 R416 I421 Q454	D410-R414 WeakPolarHBondContact O-CG 3.43Å; D410-R414 PolarHBondContact O-NE 3.27Å; R414-R416 PolarHBondContact O-N 3.34Å; R414-I421 HydrophobicContact CB-CD1 3.75Å; R414-Q454 CarbonylContact C-O 3.58Å; R414-Q454 VanDerWaalsContact CA-O 3.3Å; R414-Q454 WeakPolarHBondContact CA-O 3.47Å
415	K	82.9	Confident	83.5	Confident	100 Å²	100	67.5 Å²	67.5	44%	0.435	32%	0.322	S	S	.	.			trans	-51.6	124.2	173.2	-69.2	178.7	-174.1	176.9	0	111.6	D417 Q418 I421 E453 Q454 F455	K415-D417 PolarHBondContact O-N 2.97Å; K415-D417 VanDerWaalsContact O-N 3.08Å; K415-Q418 HydrophobicContact CB-CG 4.42Å; K415-Q418 PolarHBondContact O-N 3.31Å; K415-I421 WeakPolarHBondContact O-CD1 3.24Å; K415-E453 VanDerWaalsContact CE-O 3.25Å; K415-E453 WeakPolarHBondContact CE-O 3.26Å; K415-E453 PolarHBondContact NZ-O 2.98Å; K415-Q454 PolarHBondContact N-O 3.43Å; K415-F455 VanDerWaalsContact CG-O 3.31Å; K415-F455 WeakPolarHBondContact CG-O 3.31Å
416	R	71.8	Confident	83.1	Confident	77 Å²	77	72 Å²	72	29%	0.291	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-23.6	-179.3	-68.9	168.1	-169.5	-165.8	1.1	115.3	R414 Q418 L429 N430 D456	R414-R416 PolarHBondContact O-N 3.34Å; R416-Q418 VanDerWaalsContact C-N 3.29Å; R416-L429 HydrophobicContact CG-CD2 3.72Å; R416-L429 VanDerWaalsContact NE-CD2 3.3Å; R416-N430 PolarHBondContact NH2-OD1 3.29Å; R416-D456 WeakPolarHBondContact CD-OD2 3.31Å; R416-D456 VanDerWaalsContact CG-OD2 3.31Å; R416-D456 WeakPolarHBondContact CG-OD2 3.31Å; R416-D456 IonicContact NE-OD2 3.13Å; R416-D456 PolarHBondContact NE-OD2 2.89Å
417	D	69	Low	82.8	Confident	148 Å²	148	73.7 Å²	73.7	79%	0.791	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-4.5	-174.9	-54.7	-26.6	0	0	0	113	K415 E419	K415-D417 PolarHBondContact O-N 2.97Å; K415-D417 VanDerWaalsContact O-N 3.08Å; D417-E419 PolarHBondContact O-N 3.41Å
418	Q	67.5	Low	82.7	Confident	78 Å²	78	71.8 Å²	71.8	36%	0.364	34%	0.343	S	S	.	.	S	Bend	trans	-75.3	115.2	171.7	-67.3	-175.5	-10.6	0	0	109.6	K415 R416 R420 I421	K415-Q418 HydrophobicContact CB-CG 4.42Å; K415-Q418 PolarHBondContact O-N 3.31Å; R416-Q418 VanDerWaalsContact C-N 3.29Å; Q418-R420 PolarHBondContact O-N 3.5Å; Q418-I421 HydrophobicContact CB-CD1 4.3Å; Q418-I421 HydrophobicContact CB-CG1 4.37Å; Q418-I421 PolarHBondContact O-N 3.01Å
419	E	55.8	Low	82.6	Confident	200 Å²	200	67.6 Å²	67.6	94%	0.935	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-10.7	-175.1	-66.5	-178.7	164.6	0	0	115.6	D417	D417-E419 PolarHBondContact O-N 3.41Å
420	R	71.1	Confident	82.5	Confident	246 Å²	246	70.6 Å²	70.6	93%	0.928	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	6.2	-174.9	-65.1	-174.9	177.8	169.6	-0.1	114.9	Q418	Q418-R420 PolarHBondContact O-N 3.5Å
421	I	75.3	Confident	82.5	Confident	42 Å²	42	70.2 Å²	70.2	22%	0.215	34%	0.339	C	S	.	.			trans	-84.9	122.5	-179.2	-59.3	178.1	0	0	0	110.4	R414 K415 Q418 V425	R414-I421 HydrophobicContact CB-CD1 3.75Å; K415-I421 WeakPolarHBondContact O-CD1 3.24Å; Q418-I421 HydrophobicContact CB-CD1 4.3Å; Q418-I421 HydrophobicContact CB-CG1 4.37Å; Q418-I421 PolarHBondContact O-N 3.01Å; I421-V425 HydrophobicContact CG2-CB 3.8Å; I421-V425 HydrophobicContact CG2-CG1 3.84Å
422	S	82.2	Confident	82.7	Confident	76 Å²	76	69 Å²	69	53%	0.531	33%	0.328	S	S	.	.			trans	-62.1	141.7	172.6	173.6	0	0	0	0	111.5	G424 V425 R426	S422-G424 PolarHBondContact O-N 3.49Å; S422-G424 VanDerWaalsContact O-N 3.11Å; S422-G424 PolarHBondContact OG-N 3.09Å; S422-V425 WeakPolarHBondContact O-CB 3.24Å; S422-V425 PolarHBondContact O-N 3.37Å; S422-R426 PolarHBondContact O-N 3.08Å; S422-R426 VanDerWaalsContact O-N 3.09Å
423	E	85.6	Confident	82.9	Confident	140 Å²	140	69.1 Å²	69.1	65%	0.654	33%	0.329	S	S	*	.	H	α-helix	trans	-51.2	-35.8	175.7	-77	-59.9	138.2	0	0	112.9	V425 R426 A427	E423-V425 PolarHBondContact O-N 3.01Å; E423-R426 PolarHBondContact O-N 3.35Å; E423-A427 WeakPolarHBondContact O-CB 3.17Å; E423-A427 PolarHBondContact O-N 3.11Å
424	G	85.8	Confident	82.9	Confident	11 Å²	11	77.5 Å²	77.5	11%	0.113	36%	0.361	C	S	.	.	H	α-helix	trans	-64.6	-37.8	176.8	0	0	0	0	0	113.4	S422 T428	S422-G424 PolarHBondContact O-N 3.49Å; S422-G424 VanDerWaalsContact O-N 3.11Å; S422-G424 PolarHBondContact OG-N 3.09Å; G424-T428 WeakPolarHBondContact O-CB 3.39Å; G424-T428 PolarHBondContact O-N 3.33Å; G424-T428 PolarHBondContact O-OG1 3.18Å
425	V	86.9	Confident	83.2	Confident	23 Å²	23	75.2 Å²	75.2	14%	0.139	35%	0.353	C	S	.	.	H	α-helix	trans	-69.2	-42.2	175.3	178.4	0	0	0	0	110	F412 I421 S422 E423 A427 T428 L429	F412-V425 HydrophobicContact CB-CG1 4.15Å; I421-V425 HydrophobicContact CG2-CB 3.8Å; I421-V425 HydrophobicContact CG2-CG1 3.84Å; S422-V425 WeakPolarHBondContact O-CB 3.24Å; S422-V425 PolarHBondContact O-N 3.37Å; E423-V425 PolarHBondContact O-N 3.01Å; V425-A427 PolarHBondContact O-N 2.94Å; V425-T428 PolarHBondContact O-N 2.98Å; V425-L429 WeakPolarHBondContact O-CB 3.23Å; V425-L429 PolarHBondContact O-N 3.18Å
426	R	87.7	Confident	83.6	Confident	95 Å²	95	70.8 Å²	70.8	36%	0.358	33%	0.334	S	S	.	.	H	α-helix	trans	-61.8	-42.8	175.7	-172.6	-178.5	175.2	113.8	-2.5	112.2	S422 E423 T428 L429 N430	S422-R426 PolarHBondContact O-N 3.08Å; S422-R426 VanDerWaalsContact O-N 3.09Å; E423-R426 PolarHBondContact O-N 3.35Å; R426-T428 VanDerWaalsContact C-N 3.35Å; R426-L429 WeakPolarHBondContact O-CB 3.45Å; R426-L429 PolarHBondContact O-N 3.45Å; R426-N430 PolarHBondContact O-N 3.47Å; R426-N430 PolarHBondContact O-ND2 2.91Å
427	A	90.4	Very high	84.1	Confident	40 Å²	40	69.5 Å²	69.5	33%	0.331	35%	0.345	S	S	.	.	H	α-helix	trans	-63	-42.7	175.1	0	0	0	0	0	111.4	V385 E423 V425 N430 A431	V385-A427 HydrophobicContact CG2-CB 3.74Å; E423-A427 WeakPolarHBondContact O-CB 3.17Å; E423-A427 PolarHBondContact O-N 3.11Å; V425-A427 PolarHBondContact O-N 2.94Å; A427-N430 PolarHBondContact O-N 3.48Å; A427-A431 PolarHBondContact O-N 2.84Å
428	T	92	Very high	84.8	Confident	1 Å²	1	70.4 Å²	70.4	1%	0.006	34%	0.344	C	S	.	.	H	α-helix	trans	-67	-39.6	178.2	-57.1	0	0	0	0	112.2	I377 G381 V385 V388 F412 G424 V425 R426 A431 F432	I377-T428 HydrophobicContact CG2-CG2 3.42Å; I377-T428 VanDerWaalsContact CG2-CG2 3.42Å; G381-T428 PolarHBondContact O-OG1 3.4Å; V385-T428 PolarHBondContact N-OG1 3.12Å; V388-T428 HydrophobicContact CG2-CG2 3.68Å; F412-T428 HydrophobicContact CD2-CG2 4.47Å; G424-T428 WeakPolarHBondContact O-CB 3.39Å; G424-T428 PolarHBondContact O-N 3.33Å; G424-T428 PolarHBondContact O-OG1 3.18Å; V425-T428 PolarHBondContact O-N 2.98Å; R426-T428 VanDerWaalsContact C-N 3.35Å; T428-A431 PolarHBondContact O-N 2.93Å; T428-F432 WeakPolarHBondContact O-CB 3.49Å; T428-F432 PolarHBondContact O-N 3.19Å
429	L	91.5	Very high	85.6	Confident	3 Å²	3	70.3 Å²	70.3	2%	0.016	34%	0.344	C	S	.	.	H	α-helix	trans	-55.6	-52.6	168.9	176.9	99.7	0	0	0	110.1	L413 R416 V425 R426 A431 F432 L433 D456	L413-L429 HydrophobicContact CB-CD1 4.35Å; L413-L429 HydrophobicContact CD2-CD1 3.79Å; R416-L429 HydrophobicContact CG-CD2 3.72Å; R416-L429 VanDerWaalsContact NE-CD2 3.3Å; V425-L429 WeakPolarHBondContact O-CB 3.23Å; V425-L429 PolarHBondContact O-N 3.18Å; R426-L429 WeakPolarHBondContact O-CB 3.45Å; R426-L429 PolarHBondContact O-N 3.45Å; L429-A431 VanDerWaalsContact C-N 3.3Å; L429-A431 PolarHBondContact O-N 3.44Å; L429-F432 WeakPolarHBondContact O-CB 3.42Å; L429-F432 PolarHBondContact O-N 2.97Å; L429-F432 VanDerWaalsContact O-N 3.14Å; L429-L433 HydrophobicContact CD2-CD1 3.87Å; L429-L433 HydrophobicContact CG-CD1 3.82Å; L429-L433 HydrophobicContact CG-CG 4.23Å; L429-L433 WeakPolarHBondContact O-CB 3.47Å; L429-L433 WeakPolarHBondContact O-CG 3.47Å; L429-L433 PolarHBondContact O-N 3.36Å; L429-D456 HydrophobicContact CD1-CB 4.29Å
430	N	91.3	Very high	87.2	Confident	64 Å²	64	61.5 Å²	61.5	34%	0.342	31%	0.305	S	S	.	.	H	α-helix	trans	-59.6	-39.8	179.6	-72.3	-24.8	0	0	0	112.6	R416 R426 A427 L433 Y434	R416-N430 PolarHBondContact NH2-OD1 3.29Å; R426-N430 PolarHBondContact O-N 3.47Å; R426-N430 PolarHBondContact O-ND2 2.91Å; A427-N430 PolarHBondContact O-N 3.48Å; N430-L433 PolarHBondContact O-N 3.05Å; N430-Y434 WeakPolarHBondContact O-CB 3.33Å; N430-Y434 PolarHBondContact O-N 3.42Å
431	A	92.1	Very high	88.1	Confident	7 Å²	7	55.1 Å²	55.1	6%	0.058	28%	0.283	C	S	.	.	H	α-helix	trans	-63.7	-43.4	175	0	0	0	0	0	112.1	V385 A427 T428 L429 L433 Y434 R435	V385-A431 HydrophobicContact CB-CB 4.36Å; V385-A431 HydrophobicContact CG1-CB 3.83Å; V385-A431 HydrophobicContact CG2-CB 4.33Å; A427-A431 PolarHBondContact O-N 2.84Å; T428-A431 PolarHBondContact O-N 2.93Å; L429-A431 VanDerWaalsContact C-N 3.3Å; L429-A431 PolarHBondContact O-N 3.44Å; A431-L433 VanDerWaalsContact C-N 3.33Å; A431-Y434 PolarHBondContact O-N 3.1Å; A431-R435 WeakPolarHBondContact O-CG 3.44Å; A431-R435 PolarHBondContact O-N 2.85Å
432	F	93.4	Very high	88.9	Confident	5 Å²	5	58.2 Å²	58.2	2%	0.022	30%	0.295	C	S	.	.	H	α-helix	trans	-61.9	-43.3	174	-172.5	-89.5	0	0	0	111.5	V388 F392 V406 F412 L413 T428 L429 Y434 R435 T436 L445 L447 I459	V388-F432 HydrophobicContact CG1-CB 4.28Å; V388-F432 HydrophobicContact CG1-CD2 4.24Å; F392-F432 AromaticContact CE2-CD2 3.7Å; F392-F432 HydrophobicContact CE2-CD2 3.7Å; F392-F432 AromaticContact CE2-CE2 3.82Å; F392-F432 HydrophobicContact CE2-CE2 3.82Å; F392-F432 AromaticContact CZ-CD2 3.96Å; F392-F432 HydrophobicContact CZ-CD2 3.96Å; F392-F432 AromaticContact CZ-CE2 3.66Å; F392-F432 HydrophobicContact CZ-CE2 3.66Å; F392-F432 HydrophobicContact CZ-CZ 4.22Å; V406-F432 HydrophobicContact CG2-CE2 4.5Å; F412-F432 HydrophobicContact CE2-CB 4.19Å; F412-F432 AromaticContact CE2-CD2 3.94Å; F412-F432 HydrophobicContact CE2-CD2 3.94Å; F412-F432 AromaticContact CE2-CG 4Å; F412-F432 HydrophobicContact CE2-CG 4Å; F412-F432 HydrophobicContact CZ-CD2 4.09Å; F412-F432 HydrophobicContact CZ-CE2 4.26Å; F412-F432 HydrophobicContact CZ-CG 4.49Å; L413-F432 HydrophobicContact CD1-CE1 4.32Å; L413-F432 HydrophobicContact CD2-CD1 3.86Å; L413-F432 HydrophobicContact CD2-CE1 4.27Å; L413-F432 HydrophobicContact CD2-CG 4.26Å; T428-F432 WeakPolarHBondContact O-CB 3.49Å; T428-F432 PolarHBondContact O-N 3.19Å; L429-F432 WeakPolarHBondContact O-CB 3.42Å; L429-F432 PolarHBondContact O-N 2.97Å; L429-F432 VanDerWaalsContact O-N 3.14Å; F432-Y434 PolarHBondContact O-N 3.09Å; F432-R435 PolarHBondContact O-N 3.5Å; F432-T436 HydrophobicContact CD1-CG2 4.12Å; F432-T436 HydrophobicContact CE1-CG2 3.71Å; F432-T436 HydrophobicContact CZ-CG2 3.98Å; F432-T436 WeakPolarHBondContact O-CG2 3.22Å; F432-T436 PolarHBondContact O-N 3.32Å; F432-T436 VanDerWaalsContact O-N 3.13Å; F432-T436 PolarHBondContact O-OG1 3.07Å; F432-L445 HydrophobicContact CE1-CD2 3.92Å; F432-L445 HydrophobicContact CE2-CD1 4.39Å; F432-L445 HydrophobicContact CZ-CD1 3.86Å; F432-L445 HydrophobicContact CZ-CD2 3.54Å; F432-L445 HydrophobicContact CZ-CG 4.34Å; F432-L447 HydrophobicContact CZ-CD2 3.96Å; F432-I459 HydrophobicContact CD1-CD1 3.81Å; F432-I459 HydrophobicContact CE1-CD1 3.9Å
433	L	92.1	Very high	89.5	Confident	6 Å²	6	54.9 Å²	54.9	3%	0.031	27%	0.271	C	S	.	.	H	α-helix	trans	-63.3	-42.9	178.9	-70.6	173	0	0	0	111.5	L429 N430 A431 R435 T436 G437 A458 I459 R462	L429-L433 HydrophobicContact CD2-CD1 3.87Å; L429-L433 HydrophobicContact CG-CD1 3.82Å; L429-L433 HydrophobicContact CG-CG 4.23Å; L429-L433 WeakPolarHBondContact O-CB 3.47Å; L429-L433 WeakPolarHBondContact O-CG 3.47Å; L429-L433 PolarHBondContact O-N 3.36Å; N430-L433 PolarHBondContact O-N 3.05Å; A431-L433 VanDerWaalsContact C-N 3.33Å; L433-R435 VanDerWaalsContact C-N 3.28Å; L433-R435 PolarHBondContact O-N 2.82Å; L433-T436 WeakPolarHBondContact CA-OG1 3.49Å; L433-T436 PolarHBondContact O-N 3.32Å; L433-T436 PolarHBondContact O-OG1 3.44Å; L433-G437 PolarHBondContact O-N 3.42Å; L433-G437 VanDerWaalsContact O-N 3.09Å; L433-A458 HydrophobicContact CD1-CB 4.45Å; L433-A458 HydrophobicContact CD2-CB 4Å; L433-I459 HydrophobicContact CD2-CD1 3.27Å; L433-I459 HydrophobicContact CD2-CG1 3.75Å; L433-I459 HydrophobicContact CG-CD1 4.28Å; L433-R462 VanDerWaalsContact C-NH1 3.32Å; L433-R462 VanDerWaalsContact O-CZ 3.25Å; L433-R462 PolarHBondContact O-NH1 3.48Å
434	Y	92	Very high	90	Very high	175 Å²	175	48.3 Å²	48.3	69%	0.686	24%	0.24	S	C	*	.	H	α-helix	trans	-58.7	-39	174.7	177.4	-100.2	0	0	0	112.2	N430 A431 F432 T436	N430-Y434 WeakPolarHBondContact O-CB 3.33Å; N430-Y434 PolarHBondContact O-N 3.42Å; A431-Y434 PolarHBondContact O-N 3.1Å; F432-Y434 PolarHBondContact O-N 3.09Å; Y434-T436 VanDerWaalsContact C-N 3.33Å; Y434-T436 PolarHBondContact O-N 3.47Å
435	R	91.1	Very high	90.4	Very high	43 Å²	43	47.8 Å²	47.8	16%	0.162	24%	0.235	C	C	.	.	H	α-helix	trans	-75.9	-18.9	179.4	-67.7	-55.8	-165.3	169	13.5	114.8	H389 F392 E393 A431 F432 L433	H389-R435 VanDerWaalsContact ND1-CZ 3.32Å; H389-R435 PolarHBondContact ND1-NE 2.89Å; H389-R435 PolarHBondContact ND1-NH2 3.41Å; H389-R435 VanDerWaalsContact ND1-NH2 3.1Å; F392-R435 HydrophobicContact CB-CB 4.38Å; F392-R435 HydrophobicContact CB-CG 4.11Å; F392-R435 HydrophobicContact CD1-CB 3.94Å; F392-R435 HydrophobicContact CD2-CB 3.63Å; F392-R435 HydrophobicContact CD2-CG 3.71Å; F392-R435 HydrophobicContact CE1-CB 4.06Å; F392-R435 HydrophobicContact CE2-CB 3.76Å; F392-R435 HydrophobicContact CE2-CG 4.25Å; F392-R435 HydrophobicContact CG-CB 3.72Å; F392-R435 HydrophobicContact CG-CG 3.89Å; F392-R435 HydrophobicContact CZ-CB 3.97Å; E393-R435 IonicContact OE1-CZ 3.5Å; E393-R435 IonicContact OE1-NH1 3.2Å; E393-R435 PolarHBondContact OE1-NH1 3.44Å; E393-R435 IonicContact OE1-NH2 2.94Å; E393-R435 PolarHBondContact OE1-NH2 2.94Å; A431-R435 WeakPolarHBondContact O-CG 3.44Å; A431-R435 PolarHBondContact O-N 2.85Å; F432-R435 PolarHBondContact O-N 3.5Å; L433-R435 VanDerWaalsContact C-N 3.28Å; L433-R435 PolarHBondContact O-N 2.82Å
436	T	90.5	Very high	90.9	Very high	6 Å²	6	46.7 Å²	46.7	4%	0.037	23%	0.228	C	C	.	.	H	α-helix	trans	-105.9	-1.4	-176.9	51.9	0	0	0	0	113.2	F392 F432 L433 Y434 E438 L445 R462	F392-T436 HydrophobicContact CE1-CG2 4.22Å; F392-T436 HydrophobicContact CZ-CG2 3.89Å; F432-T436 HydrophobicContact CD1-CG2 4.12Å; F432-T436 HydrophobicContact CE1-CG2 3.71Å; F432-T436 HydrophobicContact CZ-CG2 3.98Å; F432-T436 WeakPolarHBondContact O-CG2 3.22Å; F432-T436 PolarHBondContact O-N 3.32Å; F432-T436 VanDerWaalsContact O-N 3.13Å; F432-T436 PolarHBondContact O-OG1 3.07Å; L433-T436 WeakPolarHBondContact CA-OG1 3.49Å; L433-T436 PolarHBondContact O-N 3.32Å; L433-T436 PolarHBondContact O-OG1 3.44Å; Y434-T436 VanDerWaalsContact C-N 3.33Å; Y434-T436 PolarHBondContact O-N 3.47Å; T436-E438 PolarHBondContact O-N 3.38Å; T436-L445 HydrophobicContact CG2-CD2 3.59Å; T436-R462 WeakPolarHBondContact O-CD 3.49Å; T436-R462 WeakPolarHBondContact OG1-CD 3.43Å; T436-R462 PolarHBondContact OG1-NH1 2.88Å
437	G	83.1	Confident	91.3	Very high	50 Å²	50	42.1 Å²	42.1	52%	0.515	21%	0.211	S	C	.	.	S	Bend	trans	-65.3	-21	-179.4	0	0	0	0	0	115	L433	L433-G437 PolarHBondContact O-N 3.42Å; L433-G437 VanDerWaalsContact O-N 3.09Å
438	E	83	Confident	91.6	Very high	168 Å²	168	40.2 Å²	40.2	79%	0.785	20%	0.196	S	C	*	.	S	Bend	trans	-119.3	141.1	177.7	-66.8	179.2	178	0	0	111	T436	T436-E438 PolarHBondContact O-N 3.38Å
439	Q	84.5	Confident	91.7	Very high	75 Å²	75	40.2 Å²	40.2	35%	0.35	20%	0.196	S	C	.	.			trans	-66.5	135.9	173.5	-68.9	-67.5	-0.2	0	0	110.6	F340 Y341 D464	F340-Q439 HydrophobicContact CB-CB 4.15Å; F340-Q439 HydrophobicContact CD1-CB 4Å; F340-Q439 WeakPolarHBondContact CD1-O 3.42Å; F340-Q439 HydrophobicContact CG-CB 4.32Å; Y341-Q439 PolarHBondContact O-OE1 3.37Å; Q439-D464 PolarHBondContact NE2-OD1 2.64Å; Q439-D464 PolarHBondContact NE2-OD2 2.93Å
440	S	89.5	Confident	91.7	Very high	16 Å²	16	42.7 Å²	42.7	11%	0.112	21%	0.209	C	C	.	.			trans	-112.1	137.7	-171.7	-178.5	0	0	0	0	112.1	Y341 K442 F443	Y341-S440 WeakPolarHBondContact CD2-O 3.42Å; Y341-S440 PolarHBondContact N-O 3.11Å; Y341-S440 VanDerWaalsContact N-O 3.1Å; S440-K442 VanDerWaalsContact C-N 3.33Å; S440-K442 PolarHBondContact OG-N 3.21Å; S440-F443 VanDerWaalsContact CB-CE1 3.47Å; S440-F443 WeakPolarHBondContact OG-CD1 3.33Å; S440-F443 WeakPolarHBondContact OG-CE1 3.47Å; S440-F443 PolarHBondContact OG-N 3.49Å; S440-F443 VanDerWaalsContact OG-N 3.14Å
441	K	91.2	Very high	91.5	Very high	111 Å²	111	43.2 Å²	43.2	48%	0.483	21%	0.209	S	C	.	.	S	Bend	trans	-87.4	-5.2	167	-57.6	-172.5	179.5	-171.7	0	112.7	F340 Y341	F340-K441 HydrophobicContact CD1-CD 4.41Å; F340-K441 HydrophobicContact CD1-CG 3.55Å; F340-K441 HydrophobicContact CE1-CD 4.19Å; F340-K441 HydrophobicContact CE1-CG 3.7Å; F340-K441 VanDerWaalsContact CE2-CE 3.43Å; F340-K441 HydrophobicContact CG-CG 4.08Å; F340-K441 HydrophobicContact CZ-CD 4.37Å; F340-K441 HydrophobicContact CZ-CG 4.33Å; Y341-K441 WeakPolarHBondContact CE2-O 3.46Å
442	K	91.7	Very high	91.4	Very high	108 Å²	108	44.5 Å²	44.5	47%	0.47	22%	0.217	S	C	.	.	S	Bend	trans	-106.8	-29.4	-171.7	-66.1	-63.3	-173.1	177.2	0	113.2	K396 G401 V402 S440	K396-K442 HydrophobicContact CG-CB 4.32Å; G401-K442 CarbonylContact C-O 3.6Å; G401-K442 WeakPolarHBondContact CA-O 3.36Å; V402-K442 PolarHBondContact N-O 3.15Å; S440-K442 VanDerWaalsContact C-N 3.33Å; S440-K442 PolarHBondContact OG-N 3.21Å
443	F	94	Very high	91.2	Very high	6 Å²	6	49.8 Å²	49.8	3%	0.026	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	151.8	176.5	67.2	-94.9	0	0	0	110.5	F392 A395 K396 V402 L404 S440	F392-F443 HydrophobicContact CD1-CD1 4.45Å; F392-F443 HydrophobicContact CD1-CD2 4.46Å; F392-F443 HydrophobicContact CD1-CE1 4Å; F392-F443 HydrophobicContact CD1-CE2 4.03Å; F392-F443 AromaticContact CD1-CZ 3.78Å; F392-F443 HydrophobicContact CD1-CZ 3.78Å; F392-F443 HydrophobicContact CE1-CD2 4.22Å; F392-F443 HydrophobicContact CE1-CE1 4.44Å; F392-F443 AromaticContact CE1-CE2 3.65Å; F392-F443 HydrophobicContact CE1-CE2 3.65Å; F392-F443 AromaticContact CE1-CZ 3.77Å; F392-F443 HydrophobicContact CE1-CZ 3.77Å; A395-F443 HydrophobicContact CB-CB 4.29Å; K396-F443 HydrophobicContact CG-CD1 4.26Å; V402-F443 CarbonylContact O-C 3.58Å; V402-F443 WeakPolarHBondContact O-CA 3.26Å; V402-F443 WeakPolarHBondContact O-CB 3.49Å; L404-F443 HydrophobicContact CD1-CB 4.1Å; L404-F443 HydrophobicContact CD1-CD2 3.92Å; L404-F443 HydrophobicContact CD1-CG 4.04Å; L404-F443 HydrophobicContact CG-CB 4.39Å; S440-F443 VanDerWaalsContact CB-CE1 3.47Å; S440-F443 WeakPolarHBondContact OG-CD1 3.33Å; S440-F443 WeakPolarHBondContact OG-CE1 3.47Å; S440-F443 PolarHBondContact OG-N 3.49Å; S440-F443 VanDerWaalsContact OG-N 3.14Å
444	M	95.4	Very high	91	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.005	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	130	170.1	179.3	-176.3	-171.9	0	0	107.4	T331 Y341 R342 I344 L361 M367 V402 L403 L404 V446	T331-M444 HydrophobicContact CG2-CE 4.28Å; T331-M444 HydrophobicContact CG2-SD 3.69Å; Y341-M444 HydrophobicContact CD1-CB 4.44Å; Y341-M444 HydrophobicContact CD2-CB 4.38Å; Y341-M444 HydrophobicContact CG-CB 3.96Å; R342-M444 VanDerWaalsContact O-CE 3.25Å; R342-M444 WeakPolarHBondContact O-CE 3.41Å; R342-M444 WeakPolarHBondContact O-CG 3.31Å; I344-M444 HydrophobicContact CD1-CE 3.28Å; I344-M444 HydrophobicContact CG1-CE 3.74Å; L361-M444 HydrophobicContact CD2-CE 4.03Å; L361-M444 HydrophobicContact CD2-SD 4.39Å; M367-M444 HydrophobicContact CE-CB 4.39Å; M367-M444 HydrophobicContact CE-SD 3.86Å; V402-M444 PolarHBondContact O-N 3.22Å; L403-M444 CarbonylContact C-O 3.55Å; L403-M444 WeakPolarHBondContact CA-O 3.41Å; L403-M444 HydrophobicContact CD1-SD 3.94Å; L403-M444 HydrophobicContact CG-SD 4.41Å; L404-M444 PolarHBondContact N-O 3.12Å; M444-V446 HydrophobicContact CE-CG2 4.32Å; M444-V446 HydrophobicContact CG-CG2 4.45Å
445	L	96	Very high	90.9	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	129.3	176.2	-179.7	64.2	0	0	0	110.6	N343 I344 L404 V406 F432 T436 L447 M463	N343-L445 CarbonylContact C-O 3.57Å; N343-L445 VanDerWaalsContact CA-O 3.28Å; N343-L445 WeakPolarHBondContact CA-O 3.28Å; N343-L445 HydrophobicContact CB-CB 4.27Å; N343-L445 WeakPolarHBondContact OD1-CB 3.39Å; N343-L445 PolarHBondContact OD1-N 2.9Å; I344-L445 PolarHBondContact N-O 3.48Å; L404-L445 HydrophobicContact CB-CD1 4.28Å; V406-L445 HydrophobicContact CG2-CD1 4.13Å; F432-L445 HydrophobicContact CE1-CD2 3.92Å; F432-L445 HydrophobicContact CE2-CD1 4.39Å; F432-L445 HydrophobicContact CZ-CD1 3.86Å; F432-L445 HydrophobicContact CZ-CD2 3.54Å; F432-L445 HydrophobicContact CZ-CG 4.34Å; T436-L445 HydrophobicContact CG2-CD2 3.59Å; L445-L447 HydrophobicContact CD1-CD2 3.82Å; L445-L447 HydrophobicContact CD1-CG 4.46Å; L445-L447 HydrophobicContact CD2-CD1 4.47Å; L445-L447 HydrophobicContact CD2-CD2 4.19Å; L445-L447 HydrophobicContact CD2-CG 4.23Å; L445-L447 HydrophobicContact CG-CD2 4.04Å; L445-L447 HydrophobicContact CG-CG 4.15Å; L445-M463 HydrophobicContact CD2-CE 3.85Å
446	V	96.8	Very high	90.8	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	115.2	170.9	-178.7	0	0	0	0	108.8	I344 M346 A358 L403 L404 F405 V406 M444	I344-V446 HydrophobicContact CB-CG2 4.4Å; I344-V446 CarbonylContact O-C 3.6Å; I344-V446 VanDerWaalsContact O-CA 3.31Å; I344-V446 WeakPolarHBondContact O-CA 3.49Å; M346-V446 HydrophobicContact CE-CG1 3.43Å; M346-V446 VanDerWaalsContact CE-CG1 3.43Å; M346-V446 HydrophobicContact CG-CG1 4.11Å; M346-V446 HydrophobicContact SD-CG1 3.79Å; A358-V446 HydrophobicContact CB-CG1 4.48Å; L403-V446 HydrophobicContact CD1-CG2 4.01Å; L403-V446 HydrophobicContact CD2-CB 4.14Å; L403-V446 HydrophobicContact CD2-CG2 3.83Å; L403-V446 HydrophobicContact CG-CG2 3.89Å; L404-V446 PolarHBondContact O-N 3.39Å; F405-V446 CarbonylContact C-O 3.59Å; F405-V446 VanDerWaalsContact CA-O 3.31Å; F405-V446 WeakPolarHBondContact CA-O 3.28Å; F405-V446 HydrophobicContact CD2-CB 3.99Å; F405-V446 HydrophobicContact CD2-CG1 3.64Å; F405-V446 HydrophobicContact CE2-CG1 4Å; V406-V446 PolarHBondContact N-O 3.24Å; M444-V446 HydrophobicContact CE-CG2 4.32Å; M444-V446 HydrophobicContact CG-CG2 4.45Å
447	L	96.9	Very high	90.8	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	136.6	176.1	-61.2	-176.1	0	0	0	109.4	I344 L345 M346 V406 A409 L413 F432 L445 F455 I459 M463	I344-L447 PolarHBondContact O-N 3.3Å; L345-L447 CarbonylContact C-O 3.5Å; L345-L447 HydrophobicContact CD1-CB 3.82Å; M346-L447 PolarHBondContact N-O 3.26Å; V406-L447 HydrophobicContact CB-CD2 3.72Å; V406-L447 HydrophobicContact CG1-CD2 4.45Å; V406-L447 HydrophobicContact CG2-CD2 3.93Å; A409-L447 HydrophobicContact CB-CB 4.36Å; A409-L447 HydrophobicContact CB-CD2 4.13Å; L413-L447 HydrophobicContact CD1-CD1 3.7Å; L413-L447 HydrophobicContact CD1-CD2 4.23Å; F432-L447 HydrophobicContact CZ-CD2 3.96Å; L445-L447 HydrophobicContact CD1-CD2 3.82Å; L445-L447 HydrophobicContact CD1-CG 4.46Å; L445-L447 HydrophobicContact CD2-CD1 4.47Å; L445-L447 HydrophobicContact CD2-CD2 4.19Å; L445-L447 HydrophobicContact CD2-CG 4.23Å; L445-L447 HydrophobicContact CG-CD2 4.04Å; L445-L447 HydrophobicContact CG-CG 4.15Å; L447-F455 HydrophobicContact CD1-CE2 4.07Å; L447-I459 HydrophobicContact CD1-CG2 3.68Å; L447-M463 HydrophobicContact CB-SD 4.46Å; L447-M463 HydrophobicContact CD1-CE 3.88Å; L447-M463 HydrophobicContact CD1-SD 3.72Å; L447-M463 HydrophobicContact CG-CE 4.4Å; L447-M463 HydrophobicContact CG-SD 4.04Å
448	A	96.6	Very high	91.1	Very high	0 Å²	0	48 Å²	48	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	133.7	168.5	0	0	0	0	0	110.5	M346 K354 F405 V406 E408 A409	M346-A448 HydrophobicContact CB-CB 4.46Å; M346-A448 WeakPolarHBondContact O-CA 3.19Å; K354-A448 HydrophobicContact CB-CB 4.39Å; K354-A448 HydrophobicContact CD-CB 4.23Å; F405-A448 HydrophobicContact CE1-CB 4.49Å; F405-A448 HydrophobicContact CE2-CB 3.67Å; F405-A448 HydrophobicContact CZ-CB 3.47Å; F405-A448 VanDerWaalsContact CZ-CB 3.47Å; V406-A448 PolarHBondContact O-N 2.92Å; E408-A448 PolarHBondContact N-O 3.45Å; A409-A448 PolarHBondContact N-O 2.86Å
449	S	94.2	Very high	91.6	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.007	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	150.4	177.1	-173.3	0	0	0	0	112.1	M346 A347 G348 D410 Q451 F455	M346-S449 PolarHBondContact O-N 2.87Å; A347-S449 WeakPolarHBondContact CA-O 2.98Å; G348-S449 PolarHBondContact N-O 3.33Å; G348-S449 VanDerWaalsContact N-O 3.12Å; D410-S449 WeakPolarHBondContact CB-OG 3.39Å; D410-S449 WeakPolarHBondContact OD1-CB 3.42Å; D410-S449 PolarHBondContact OD1-OG 3.35Å; S449-Q451 PolarHBondContact OG-N 3.26Å; S449-F455 WeakPolarHBondContact OG-CE1 3.31Å
450	N	90.1	Very high	91.7	Very high	55 Å²	55	39.6 Å²	39.6	29%	0.294	18%	0.184	S	C	.	.	S	Bend	trans	-93.4	-17	169.4	-57.2	-43.8	0	0	0	112.2	G348 K354	G348-N450 WeakPolarHBondContact O-CA 3.25Å; G348-N450 PolarHBondContact O-OD1 2.88Å; K354-N450 PolarHBondContact NZ-OD1 3.45Å
451	Q	88.2	Confident	91.7	Very high	75 Å²	75	45.1 Å²	45.1	35%	0.35	21%	0.212	S	C	.	.			trans	-136.8	64.2	-174.3	-67.7	178.6	-8.8	0	0	110.5	S449 E453 Q454	S449-Q451 PolarHBondContact OG-N 3.26Å; Q451-E453 WeakPolarHBondContact CA-OE2 3.39Å; Q451-E453 WeakPolarHBondContact CB-OE1 3.44Å; Q451-E453 PolarHBondContact O-N 3.09Å; Q451-E453 VanDerWaalsContact O-N 3.13Å; Q451-Q454 HydrophobicContact CB-CG 4.27Å; Q451-Q454 PolarHBondContact O-N 2.64Å; Q451-Q454 VanDerWaalsContact O-N 3.12Å; Q451-Q454 VanDerWaalsContact OE1-CD 3.24Å
452	P	89.5	Confident	91.8	Very high	33 Å²	33	42.7 Å²	42.7	21%	0.214	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-58.9	-24.8	-177.3	28.9	-39.2	0	0	0	113.4	L345 A347 Q454 F455	L345-P452 HydrophobicContact CD2-CB 4.37Å; A347-P452 HydrophobicContact CB-CB 4.11Å; A347-P452 HydrophobicContact CB-CG 3.82Å; P452-Q454 PolarHBondContact O-N 2.88Å; P452-F455 VanDerWaalsContact O-CB 3.32Å; P452-F455 WeakPolarHBondContact O-CB 3.48Å; P452-F455 PolarHBondContact O-N 3.15Å; P452-F455 VanDerWaalsContact O-N 3.1Å
453	E	89.1	Confident	91.8	Very high	117 Å²	117	38.3 Å²	38.3	55%	0.547	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-63.2	-20.1	177.7	66.9	-78.5	179.3	0	0	114.1	K415 Q451 F455	K415-E453 VanDerWaalsContact CE-O 3.25Å; K415-E453 WeakPolarHBondContact CE-O 3.26Å; K415-E453 PolarHBondContact NZ-O 2.98Å; Q451-E453 WeakPolarHBondContact CA-OE2 3.39Å; Q451-E453 WeakPolarHBondContact CB-OE1 3.44Å; Q451-E453 PolarHBondContact O-N 3.09Å; Q451-E453 VanDerWaalsContact O-N 3.13Å; E453-F455 VanDerWaalsContact C-N 3.34Å
454	Q	87.5	Confident	91.8	Very high	41 Å²	41	41.6 Å²	41.6	19%	0.192	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-85.8	-6.9	177.2	-64.3	-173.2	13.5	0	0	113.3	R414 K415 Q451 P452	R414-Q454 CarbonylContact C-O 3.58Å; R414-Q454 VanDerWaalsContact CA-O 3.3Å; R414-Q454 WeakPolarHBondContact CA-O 3.47Å; K415-Q454 PolarHBondContact N-O 3.43Å; Q451-Q454 HydrophobicContact CB-CG 4.27Å; Q451-Q454 PolarHBondContact O-N 2.64Å; Q451-Q454 VanDerWaalsContact O-N 3.12Å; Q451-Q454 VanDerWaalsContact OE1-CD 3.24Å; P452-Q454 PolarHBondContact O-N 2.88Å
455	F	89.9	Confident	91.7	Very high	1 Å²	1	44 Å²	44	0%	0.004	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-65.7	144.8	-177.6	-82.5	24.9	0	0	0	112	L345 A409 D410 L413 K415 L447 S449 P452 E453 I459	L345-F455 HydrophobicContact CD1-CD2 4.39Å; L345-F455 HydrophobicContact CD1-CE2 3.56Å; L345-F455 HydrophobicContact CD1-CZ 4.03Å; L345-F455 HydrophobicContact CD2-CD2 4.37Å; L345-F455 HydrophobicContact CD2-CE2 4.32Å; A409-F455 HydrophobicContact CB-CZ 3.93Å; D410-F455 HydrophobicContact CB-CD1 4.33Å; D410-F455 HydrophobicContact CB-CE1 3.77Å; L413-F455 HydrophobicContact CD1-CE2 4.32Å; L413-F455 HydrophobicContact CD1-CZ 4.41Å; L413-F455 WeakPolarHBondContact O-CA 3.46Å; K415-F455 VanDerWaalsContact CG-O 3.31Å; K415-F455 WeakPolarHBondContact CG-O 3.31Å; L447-F455 HydrophobicContact CD1-CE2 4.07Å; S449-F455 WeakPolarHBondContact OG-CE1 3.31Å; P452-F455 VanDerWaalsContact O-CB 3.32Å; P452-F455 WeakPolarHBondContact O-CB 3.48Å; P452-F455 PolarHBondContact O-N 3.15Å; P452-F455 VanDerWaalsContact O-N 3.1Å; E453-F455 VanDerWaalsContact C-N 3.34Å; F455-I459 HydrophobicContact CD2-CB 4.34Å; F455-I459 HydrophobicContact CD2-CG2 3.6Å; F455-I459 HydrophobicContact CE2-CG2 3.95Å
456	D	89.9	Confident	91.5	Very high	4 Å²	4	49.2 Å²	49.2	2%	0.021	24%	0.237	C	C	.	.			trans	-60.3	139.2	166.7	-169.5	-83.9	0	0	0	110.5	L413 R416 L429 A458 I459 N460	L413-D456 PolarHBondContact O-N 2.92Å; R416-D456 WeakPolarHBondContact CD-OD2 3.31Å; R416-D456 VanDerWaalsContact CG-OD2 3.31Å; R416-D456 WeakPolarHBondContact CG-OD2 3.31Å; R416-D456 IonicContact NE-OD2 3.13Å; R416-D456 PolarHBondContact NE-OD2 2.89Å; L429-D456 HydrophobicContact CD1-CB 4.29Å; D456-A458 PolarHBondContact O-N 3Å; D456-A458 VanDerWaalsContact OD1-CB 3.26Å; D456-A458 WeakPolarHBondContact OD1-CB 3.31Å; D456-A458 PolarHBondContact OD1-N 3.21Å; D456-I459 HydrophobicContact CB-CG1 4.41Å; D456-I459 WeakPolarHBondContact O-CB 3.44Å; D456-I459 PolarHBondContact O-N 3.06Å; D456-N460 PolarHBondContact O-N 3.29Å
457	W	89	Confident	91.5	Very high	188 Å²	188	49.6 Å²	49.6	71%	0.712	24%	0.239	S	C	*	.	H	α-helix	trans	-59.5	-32.2	-176.5	69.1	-93	0	0	0	112.2	I459 N460 D461	W457-I459 PolarHBondContact O-N 3.14Å; W457-N460 PolarHBondContact O-N 3.44Å; W457-D461 PolarHBondContact O-N 3.27Å; W457-D461 VanDerWaalsContact O-N 3.15Å
458	A	91	Very high	91.4	Very high	9 Å²	9	54.5 Å²	54.5	7%	0.074	26%	0.262	C	S	.	.	H	α-helix	trans	-71.6	-17.2	179.7	0	0	0	0	0	112.9	L433 D456 R462	L433-A458 HydrophobicContact CD1-CB 4.45Å; L433-A458 HydrophobicContact CD2-CB 4Å; D456-A458 PolarHBondContact O-N 3Å; D456-A458 VanDerWaalsContact OD1-CB 3.26Å; D456-A458 WeakPolarHBondContact OD1-CB 3.31Å; D456-A458 PolarHBondContact OD1-N 3.21Å; A458-R462 WeakPolarHBondContact O-CG 3.45Å
459	I	91.7	Very high	91.3	Very high	1 Å²	1	54.5 Å²	54.5	1%	0.005	26%	0.262	C	S	.	.	H	α-helix	trans	-77.5	-45.6	169.9	-65.6	-69.1	0	0	0	110	L413 F432 L433 L447 F455 D456 W457 D461 R462 M463	L413-I459 HydrophobicContact CB-CG1 4.33Å; L413-I459 HydrophobicContact CD1-CD1 4.02Å; L413-I459 HydrophobicContact CD1-CG1 4.23Å; L413-I459 HydrophobicContact CD1-CG2 4.17Å; L413-I459 HydrophobicContact CD2-CD1 3.75Å; L413-I459 HydrophobicContact CD2-CG1 4.14Å; L413-I459 HydrophobicContact CG-CD1 4.41Å; L413-I459 HydrophobicContact CG-CG1 4.49Å; F432-I459 HydrophobicContact CD1-CD1 3.81Å; F432-I459 HydrophobicContact CE1-CD1 3.9Å; L433-I459 HydrophobicContact CD2-CD1 3.27Å; L433-I459 HydrophobicContact CD2-CG1 3.75Å; L433-I459 HydrophobicContact CG-CD1 4.28Å; L447-I459 HydrophobicContact CD1-CG2 3.68Å; F455-I459 HydrophobicContact CD2-CB 4.34Å; F455-I459 HydrophobicContact CD2-CG2 3.6Å; F455-I459 HydrophobicContact CE2-CG2 3.95Å; D456-I459 HydrophobicContact CB-CG1 4.41Å; D456-I459 WeakPolarHBondContact O-CB 3.44Å; D456-I459 PolarHBondContact O-N 3.06Å; W457-I459 PolarHBondContact O-N 3.14Å; I459-D461 VanDerWaalsContact C-N 3.26Å; I459-D461 PolarHBondContact O-N 3.04Å; I459-R462 PolarHBondContact O-N 3.45Å; I459-M463 WeakPolarHBondContact O-CG 3.44Å; I459-M463 PolarHBondContact O-N 3.22Å
460	N	88.5	Confident	91.3	Very high	64 Å²	64	56.5 Å²	56.5	34%	0.342	27%	0.274	S	S	.	.	H	α-helix	trans	-59.7	-39.2	-179.5	-70.5	-23.3	0	0	0	111.7	D456 W457 R462 M463	D456-N460 PolarHBondContact O-N 3.29Å; W457-N460 PolarHBondContact O-N 3.44Å; N460-R462 PolarHBondContact O-N 2.9Å; N460-M463 PolarHBondContact O-N 3.36Å
461	D	89.5	Confident	91.5	Very high	132 Å²	132	57 Å²	57	71%	0.706	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-24.8	175.6	-171.6	58.8	0	0	0	113.8	W457 I459	W457-D461 PolarHBondContact O-N 3.27Å; W457-D461 VanDerWaalsContact O-N 3.15Å; I459-D461 VanDerWaalsContact C-N 3.26Å; I459-D461 PolarHBondContact O-N 3.04Å
462	R	91.8	Very high	91.9	Very high	60 Å²	60	54.3 Å²	54.3	23%	0.226	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95	-5.8	-178.9	-68.3	-179.2	-178.4	136.1	10.5	114.4	N343 L433 T436 A458 I459 N460	N343-R462 WeakPolarHBondContact CB-O 3.36Å; N343-R462 PolarHBondContact ND2-O 2.99Å; L433-R462 VanDerWaalsContact C-NH1 3.32Å; L433-R462 VanDerWaalsContact O-CZ 3.25Å; L433-R462 PolarHBondContact O-NH1 3.48Å; T436-R462 WeakPolarHBondContact O-CD 3.49Å; T436-R462 WeakPolarHBondContact OG1-CD 3.43Å; T436-R462 PolarHBondContact OG1-NH1 2.88Å; A458-R462 WeakPolarHBondContact O-CG 3.45Å; I459-R462 PolarHBondContact O-N 3.45Å; N460-R462 PolarHBondContact O-N 2.9Å
463	M	92.9	Very high	92.2	Very high	16 Å²	16	53.9 Å²	53.9	8%	0.079	27%	0.268	C	S	.	.			trans	-90.9	114.7	177.3	-62.8	-62.9	102.1	0	0	108.6	N343 L345 L445 L447 I459 N460	N343-M463 HydrophobicContact CB-CE 3.68Å; N343-M463 HydrophobicContact CB-SD 4.15Å; L345-M463 HydrophobicContact CB-CB 4.25Å; L345-M463 HydrophobicContact CB-CG 3.93Å; L345-M463 HydrophobicContact CB-SD 4.13Å; L445-M463 HydrophobicContact CD2-CE 3.85Å; L447-M463 HydrophobicContact CB-SD 4.46Å; L447-M463 HydrophobicContact CD1-CE 3.88Å; L447-M463 HydrophobicContact CD1-SD 3.72Å; L447-M463 HydrophobicContact CG-CE 4.4Å; L447-M463 HydrophobicContact CG-SD 4.04Å; I459-M463 WeakPolarHBondContact O-CG 3.44Å; I459-M463 PolarHBondContact O-N 3.22Å; N460-M463 PolarHBondContact O-N 3.36Å
464	D	93	Very high	92.5	Very high	76 Å²	76	52.2 Å²	52.2	41%	0.406	26%	0.262	S	S	.	.	S	Bend	trans	-74.4	-31.8	-179.1	-60.6	-77.5	0	0	0	111.7	R342 N343 Q439	R342-D464 VanDerWaalsContact CA-OD2 3.3Å; R342-D464 WeakPolarHBondContact CA-OD2 3.24Å; R342-D464 HydrophobicContact CB-CB 3.88Å; R342-D464 HydrophobicContact CG-CB 4.15Å; N343-D464 PolarHBondContact N-OD2 2.85Å; N343-D464 PolarHBondContact O-N 3.16Å; Q439-D464 PolarHBondContact NE2-OD1 2.64Å; Q439-D464 PolarHBondContact NE2-OD2 2.93Å
465	E	92.9	Very high	92.9	Very high	51 Å²	51	57 Å²	57	24%	0.238	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	134.1	-179	-62.6	-173.4	-164.2	0	0	111.5	I327 R342 N343 I344 L345	I327-E465 WeakPolarHBondContact CD1-OE2 3.25Å; I327-E465 WeakPolarHBondContact CG1-OE2 3.35Å; R342-E465 IonicContact NH1-OE1 3.01Å; R342-E465 PolarHBondContact NH1-OE1 3.45Å; N343-E465 PolarHBondContact O-N 3.16Å; I344-E465 CarbonylContact C-O 3.6Å; I344-E465 WeakPolarHBondContact CA-O 3.4Å; I344-E465 HydrophobicContact CG1-CB 4.5Å; L345-E465 PolarHBondContact N-O 3.48Å
466	I	93.6	Very high	93.1	Very high	110 Å²	110	57.5 Å²	57.5	56%	0.564	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.9	122.2	175.5	-55.4	176.7	0	0	0	108.3	L345	L345-I466 HydrophobicContact CB-CG1 4.28Å; L345-I466 HydrophobicContact CD2-CG1 4.37Å; L345-I466 HydrophobicContact CD2-CG2 4.31Å; L345-I466 HydrophobicContact CG-CG2 4.45Å; L345-I466 CarbonylContact O-C 3.54Å; L345-I466 WeakPolarHBondContact O-CA 3.33Å
467	V	95.2	Very high	93.4	Very high	7 Å²	7	58.2 Å²	58.2	4%	0.042	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	116.9	-178.5	-177.6	0	0	0	0	109.6	L320 L324 I327 I344 L345 M346 A347 F469	L320-V467 HydrophobicContact CD1-CG1 3.45Å; L320-V467 VanDerWaalsContact CD1-CG1 3.45Å; L324-V467 HydrophobicContact CD2-CG1 3.69Å; L324-V467 HydrophobicContact CD2-CG2 4.33Å; I327-V467 HydrophobicContact CD1-CG2 3.57Å; I344-V467 HydrophobicContact CG2-CG2 4Å; L345-V467 PolarHBondContact O-N 3.28Å; M346-V467 WeakPolarHBondContact CA-O 3.47Å; A347-V467 PolarHBondContact N-O 3.43Å; V467-F469 HydrophobicContact CB-CE2 4.36Å; V467-F469 HydrophobicContact CG1-CD2 4.13Å; V467-F469 HydrophobicContact CG1-CE2 3.73Å
468	Q	95.2	Very high	93.8	Very high	104 Å²	104	51.6 Å²	51.6	49%	0.486	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	113.4	177.9	-172.1	64.4	33.2	0	0	111.3	A347 T470	A347-Q468 VanDerWaalsContact CB-OE1 3.23Å; A347-Q468 CarbonylContact O-C 3.58Å; Q468-T470 HydrophobicContact CG-CG2 4.17Å
469	F	95.6	Very high	94	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.283	C	S	.	.			trans	-86.1	130.2	168.2	-73.7	-105	0	0	0	109.8	L316 L320 L324 M346 A347 G348 P349 K354 F357 V467	L316-F469 HydrophobicContact CD1-CE1 4.23Å; L316-F469 HydrophobicContact CD2-CD1 4.22Å; L316-F469 HydrophobicContact CD2-CE1 4.3Å; L320-F469 HydrophobicContact CD2-CD1 4.19Å; L320-F469 HydrophobicContact CD2-CG 4.43Å; L324-F469 HydrophobicContact CD1-CE1 4.18Å; L324-F469 HydrophobicContact CD1-CZ 3.89Å; L324-F469 HydrophobicContact CD2-CZ 4.39Å; M346-F469 HydrophobicContact CB-CD2 4.16Å; M346-F469 HydrophobicContact CB-CE2 3.86Å; M346-F469 HydrophobicContact CG-CE2 3.84Å; M346-F469 HydrophobicContact SD-CE2 4.02Å; M346-F469 HydrophobicContact SD-CZ 4.26Å; A347-F469 PolarHBondContact O-N 3.02Å; G348-F469 VanDerWaalsContact CA-O 3.31Å; G348-F469 WeakPolarHBondContact CA-O 3.42Å; P349-F469 VanDerWaalsContact CD-O 3.25Å; P349-F469 WeakPolarHBondContact CD-O 3.49Å; K354-F469 HydrophobicContact CD-CD2 4.37Å; K354-F469 HydrophobicContact CG-CB 4.24Å; K354-F469 HydrophobicContact CG-CD1 4.13Å; K354-F469 HydrophobicContact CG-CD2 3.81Å; K354-F469 HydrophobicContact CG-CE1 4.45Å; K354-F469 HydrophobicContact CG-CE2 4.17Å; K354-F469 HydrophobicContact CG-CG 3.79Å; K354-F469 HydrophobicContact CG-CZ 4.48Å; F357-F469 HydrophobicContact CB-CZ 4.36Å; F357-F469 HydrophobicContact CD1-CZ 4.31Å; V467-F469 HydrophobicContact CB-CE2 4.36Å; V467-F469 HydrophobicContact CG1-CD2 4.13Å; V467-F469 HydrophobicContact CG1-CE2 3.73Å
470	T	93.9	Very high	94.2	Very high	42 Å²	42	56.9 Å²	56.9	26%	0.258	29%	0.285	S	S	.	.			trans	-119.6	168.4	179.1	59.6	0	0	0	0	110.6	R317 Q468	R317-T470 PolarHBondContact NE-OG1 3.4Å; R317-T470 PolarHBondContact NH2-OG1 3.31Å; Q468-T470 HydrophobicContact CG-CG2 4.17Å
471	L	94.4	Very high	94.6	Very high	66 Å²	66	54 Å²	54	35%	0.346	27%	0.269	S	S	.	.			trans	-63.9	149.5	169.9	-62.5	170.7	0	0	0	110.5	P349 T352 G521	P349-L471 HydrophobicContact CB-CD2 4.31Å; P349-L471 HydrophobicContact CG-CD2 4.41Å; P349-L471 HydrophobicContact CG-CG 4.34Å; T352-L471 HydrophobicContact CG2-CD2 4.42Å; L471-G521 WeakPolarHBondContact CD1-O 3.33Å
472	P	95.5	Very high	94.9	Very high	19 Å²	19	51.5 Å²	51.5	12%	0.123	25%	0.25	C	C	.	.			trans	-67.8	140.4	179.9	27.5	-34.9	0	0	0	112.2	E476 R477 L480 L522 I527	P472-E476 HydrophobicContact CB-CB 3.7Å; P472-R477 HydrophobicContact CB-CG 3.85Å; P472-R477 HydrophobicContact CG-CG 3.68Å; P472-R477 PolarHBondContact O-NH1 2.88Å; P472-R477 VanDerWaalsContact O-NH1 3.1Å; P472-L480 HydrophobicContact CB-CD1 3.85Å; P472-L480 HydrophobicContact CG-CD1 3.92Å; P472-L522 WeakPolarHBondContact CD-O 3.35Å; P472-L522 WeakPolarHBondContact CG-O 3.35Å; P472-I527 HydrophobicContact CG-CD1 4.18Å
473	G	95.6	Very high	95	Very high	24 Å²	24	51.4 Å²	51.4	25%	0.247	25%	0.252	C	S	.	.			trans	-74.1	-174.3	169.5	0	0	0	0	0	111.5	E476 R477	G473-E476 VanDerWaalsContact C-OE2 3.27Å; G473-E476 WeakPolarHBondContact CA-OE2 3.48Å; G473-E476 PolarHBondContact N-OE2 3.01Å; G473-R477 WeakPolarHBondContact O-CB 3.24Å; G473-R477 WeakPolarHBondContact O-CG 3.33Å; G473-R477 PolarHBondContact O-N 3.3Å; G473-R477 PolarHBondContact O-NH1 2.76Å
474	L	96.4	Very high	95.1	Very high	81 Å²	81	52.2 Å²	52.2	42%	0.424	25%	0.254	S	S	.	.	H	α-helix	trans	-62	-47.6	-176.2	179.4	63.5	0	0	0	111.9	R477 E478 A516 K517	L474-R477 PolarHBondContact O-N 2.92Å; L474-E478 PolarHBondContact O-N 3.31Å; L474-A516 HydrophobicContact CD1-CB 4.45Å; L474-K517 HydrophobicContact CD1-CG 3.87Å
475	E	95.5	Very high	95.1	Very high	141 Å²	141	48.6 Å²	48.6	66%	0.659	24%	0.235	S	C	*	.	H	α-helix	trans	-64.2	-42	-178.7	-62.5	-177.5	-177	0	0	111.8	E478 R479	E475-E478 PolarHBondContact O-N 3.07Å; E475-R479 WeakPolarHBondContact O-CG 3.32Å; E475-R479 PolarHBondContact O-N 3.39Å
476	E	95.2	Very high	95	Very high	13 Å²	13	49 Å²	49	6%	0.061	24%	0.239	C	C	.	.	H	α-helix	trans	-68.8	-37.1	177.4	-61.3	78	-164.3	0	0	111.7	I315 R317 P472 G473 E478 R479 L480	I315-E476 HydrophobicContact CG2-CB 4.1Å; I315-E476 HydrophobicContact CG2-CG 4.46Å; R317-E476 WeakPolarHBondContact CA-OE1 3.34Å; R317-E476 HydrophobicContact CG-CG 4.16Å; R317-E476 WeakPolarHBondContact CG-OE1 3.2Å; P472-E476 HydrophobicContact CB-CB 3.7Å; G473-E476 VanDerWaalsContact C-OE2 3.27Å; G473-E476 WeakPolarHBondContact CA-OE2 3.48Å; G473-E476 PolarHBondContact N-OE2 3.01Å; E476-E478 VanDerWaalsContact C-N 3.35Å; E476-R479 PolarHBondContact O-N 2.97Å; E476-L480 WeakPolarHBondContact O-CB 3.41Å; E476-L480 WeakPolarHBondContact O-CD1 3.46Å; E476-L480 VanDerWaalsContact O-CG 3.23Å; E476-L480 WeakPolarHBondContact O-CG 3.37Å; E476-L480 PolarHBondContact O-N 3.48Å
477	R	96.3	Very high	94.9	Very high	18 Å²	18	49.7 Å²	49.7	7%	0.068	24%	0.235	C	C	.	.	H	α-helix	trans	-62	-44	174.2	-74.5	-167.1	-49.1	-94.3	8.3	111.3	P472 G473 L474 R479 L480 V481 A516 T519 T520 I527	P472-R477 HydrophobicContact CB-CG 3.85Å; P472-R477 HydrophobicContact CG-CG 3.68Å; P472-R477 PolarHBondContact O-NH1 2.88Å; P472-R477 VanDerWaalsContact O-NH1 3.1Å; G473-R477 WeakPolarHBondContact O-CB 3.24Å; G473-R477 WeakPolarHBondContact O-CG 3.33Å; G473-R477 PolarHBondContact O-N 3.3Å; G473-R477 PolarHBondContact O-NH1 2.76Å; L474-R477 PolarHBondContact O-N 2.92Å; R477-R479 PolarHBondContact O-N 2.78Å; R477-L480 PolarHBondContact O-N 3.36Å; R477-V481 VanDerWaalsContact O-CG2 3.26Å; R477-V481 WeakPolarHBondContact O-CG2 3.47Å; R477-V481 PolarHBondContact O-N 3.38Å; R477-A516 HydrophobicContact CB-CB 4.13Å; R477-A516 PolarHBondContact NE-O 3.06Å; R477-A516 PolarHBondContact NH2-O 2.76Å; R477-A516 VanDerWaalsContact NH2-O 3.09Å; R477-T519 WeakPolarHBondContact CD-O 3.33Å; R477-T520 PolarHBondContact NH2-OG1 2.83Å; R477-T520 VanDerWaalsContact NH2-OG1 3.11Å; R477-I527 HydrophobicContact CB-CD1 4.33Å; R477-I527 HydrophobicContact CG-CD1 3.81Å
478	E	96.5	Very high	94.7	Very high	50 Å²	50	51.2 Å²	51.2	23%	0.234	24%	0.241	C	C	.	.	H	α-helix	trans	-60.2	-45.8	176.3	-170.8	177.2	146.2	0	0	111.6	L474 E475 E476 L480 V481 R482 A516	L474-E478 PolarHBondContact O-N 3.31Å; E475-E478 PolarHBondContact O-N 3.07Å; E476-E478 VanDerWaalsContact C-N 3.35Å; E478-L480 PolarHBondContact O-N 2.86Å; E478-V481 PolarHBondContact O-N 3.14Å; E478-R482 WeakPolarHBondContact O-CB 3.28Å; E478-R482 WeakPolarHBondContact O-CG 3.48Å; E478-R482 PolarHBondContact O-N 3.31Å; E478-R482 IonicContact OE1-CZ 3.36Å; E478-R482 IonicContact OE1-NH1 3.45Å; E478-R482 PolarHBondContact OE1-NH1 3.43Å; E478-R482 IonicContact OE1-NH2 2.84Å; E478-R482 PolarHBondContact OE1-NH2 2.94Å; E478-A516 HydrophobicContact CB-CB 3.77Å; E478-A516 HydrophobicContact CG-CB 4.39Å
479	R	95.5	Very high	94.4	Very high	111 Å²	111	46.2 Å²	46.2	42%	0.419	22%	0.217	S	C	.	.	H	α-helix	trans	-60.9	-42.6	174	-70.7	172.3	67.6	-164.7	1.4	112.2	I315 E475 E476 R477 H483	I315-R479 HydrophobicContact CD1-CB 4.05Å; I315-R479 WeakPolarHBondContact CD1-O 3.31Å; I315-R479 HydrophobicContact CG2-CB 3.76Å; E475-R479 WeakPolarHBondContact O-CG 3.32Å; E475-R479 PolarHBondContact O-N 3.39Å; E476-R479 PolarHBondContact O-N 2.97Å; R477-R479 PolarHBondContact O-N 2.78Å; R479-H483 VanDerWaalsContact O-CB 3.31Å; R479-H483 WeakPolarHBondContact O-CB 3.28Å; R479-H483 PolarHBondContact O-N 3.17Å
480	L	95.8	Very high	94	Very high	10 Å²	10	48.6 Å²	48.6	5%	0.052	23%	0.23	C	C	.	.	H	α-helix	trans	-64.5	-47.9	178.8	-78.9	163.8	0	0	0	111.8	I315 P472 E476 R477 E478 R482 H483 Y484 I527	I315-L480 HydrophobicContact CB-CD2 3.88Å; I315-L480 HydrophobicContact CB-CG 3.99Å; I315-L480 HydrophobicContact CD1-CD2 4.02Å; I315-L480 HydrophobicContact CD1-CG 4.19Å; I315-L480 HydrophobicContact CG1-CD2 4.45Å; I315-L480 HydrophobicContact CG2-CD2 4.49Å; I315-L480 HydrophobicContact CG2-CG 4.04Å; P472-L480 HydrophobicContact CB-CD1 3.85Å; P472-L480 HydrophobicContact CG-CD1 3.92Å; E476-L480 WeakPolarHBondContact O-CB 3.41Å; E476-L480 WeakPolarHBondContact O-CD1 3.46Å; E476-L480 VanDerWaalsContact O-CG 3.23Å; E476-L480 WeakPolarHBondContact O-CG 3.37Å; E476-L480 PolarHBondContact O-N 3.48Å; R477-L480 PolarHBondContact O-N 3.36Å; E478-L480 PolarHBondContact O-N 2.86Å; L480-R482 VanDerWaalsContact C-N 3.34Å; L480-R482 PolarHBondContact O-N 2.84Å; L480-H483 PolarHBondContact O-N 2.88Å; L480-Y484 HydrophobicContact CB-CE2 4.39Å; L480-Y484 HydrophobicContact CD2-CE2 3.82Å; L480-Y484 WeakPolarHBondContact O-CD2 3.49Å; L480-Y484 PolarHBondContact O-N 2.89Å; L480-I527 HydrophobicContact CB-CD1 4.38Å; L480-I527 HydrophobicContact CB-CG2 4.15Å; L480-I527 HydrophobicContact CD1-CD1 4Å
481	V	96.3	Very high	93.6	Very high	3 Å²	3	51.3 Å²	51.3	2%	0.018	24%	0.239	C	C	.	.	H	α-helix	trans	-59.3	-48.7	177.9	175.1	0	0	0	0	109.5	R477 E478 H483 Y484 F485 C512 V515 I527 W534	R477-V481 VanDerWaalsContact O-CG2 3.26Å; R477-V481 WeakPolarHBondContact O-CG2 3.47Å; R477-V481 PolarHBondContact O-N 3.38Å; E478-V481 PolarHBondContact O-N 3.14Å; V481-H483 PolarHBondContact O-N 3.17Å; V481-Y484 PolarHBondContact O-N 3.48Å; V481-F485 WeakPolarHBondContact O-CB 3.33Å; V481-F485 PolarHBondContact O-N 3.05Å; V481-C512 HydrophobicContact CG1-CB 3.94Å; V481-V515 HydrophobicContact CG1-CB 4.31Å; V481-V515 HydrophobicContact CG1-CG1 4.22Å; V481-V515 HydrophobicContact CG2-CG1 4.03Å; V481-I527 HydrophobicContact CB-CG2 4.48Å; V481-I527 HydrophobicContact CG2-CG2 3.63Å; V481-W534 HydrophobicContact CG1-CH2 3.97Å; V481-W534 HydrophobicContact CG1-CZ3 4.29Å
482	R	95.4	Very high	93	Very high	79 Å²	79	48.9 Å²	48.9	30%	0.298	23%	0.228	S	C	.	.	H	α-helix	trans	-57	-47.7	175.9	-77.1	-167.6	179.7	122.2	10.5	112.7	E478 L480 Y484 F485 D486 Y508 C512	E478-R482 WeakPolarHBondContact O-CB 3.28Å; E478-R482 WeakPolarHBondContact O-CG 3.48Å; E478-R482 PolarHBondContact O-N 3.31Å; E478-R482 IonicContact OE1-CZ 3.36Å; E478-R482 IonicContact OE1-NH1 3.45Å; E478-R482 PolarHBondContact OE1-NH1 3.43Å; E478-R482 IonicContact OE1-NH2 2.84Å; E478-R482 PolarHBondContact OE1-NH2 2.94Å; L480-R482 VanDerWaalsContact C-N 3.34Å; L480-R482 PolarHBondContact O-N 2.84Å; R482-Y484 PolarHBondContact O-N 3.1Å; R482-F485 PolarHBondContact O-N 2.88Å; R482-D486 PolarHBondContact O-N 3.06Å; R482-Y508 VanDerWaalsContact CA-OH 3.24Å; R482-Y508 WeakPolarHBondContact CA-OH 3.47Å; R482-Y508 WeakPolarHBondContact CB-OH 3.27Å; R482-Y508 HydrophobicContact CG-CE2 4.32Å; R482-Y508 VanDerWaalsContact CG-OH 3.26Å; R482-Y508 WeakPolarHBondContact CG-OH 3.35Å; R482-Y508 PolarHBondContact O-OH 3.45Å; R482-C512 HydrophobicContact CG-CB 3.74Å
483	H	94.4	Very high	92.1	Very high	59 Å²	59	50.2 Å²	50.2	27%	0.273	24%	0.237	S	C	.	.	H	α-helix	trans	-60.2	-46.6	179.7	177.1	70	0	0	0	112.5	I315 R479 L480 V481 R487	I315-H483 HydrophobicContact CD1-CB 3.75Å; R479-H483 VanDerWaalsContact O-CB 3.31Å; R479-H483 WeakPolarHBondContact O-CB 3.28Å; R479-H483 PolarHBondContact O-N 3.17Å; L480-H483 PolarHBondContact O-N 2.88Å; V481-H483 PolarHBondContact O-N 3.17Å; H483-R487 WeakPolarHBondContact O-CB 3.44Å; H483-R487 PolarHBondContact O-N 3.25Å; H483-R487 VanDerWaalsContact O-N 3.11Å
484	Y	94.7	Very high	91.3	Very high	32 Å²	32	56 Å²	56	13%	0.125	26%	0.262	C	S	.	.	H	α-helix	trans	-74.4	-32.7	180	-66.6	-51.9	0	0	0	112.8	L480 V481 R482 R487 F488 I527	L480-Y484 HydrophobicContact CB-CE2 4.39Å; L480-Y484 HydrophobicContact CD2-CE2 3.82Å; L480-Y484 WeakPolarHBondContact O-CD2 3.49Å; L480-Y484 PolarHBondContact O-N 2.89Å; V481-Y484 PolarHBondContact O-N 3.48Å; R482-Y484 PolarHBondContact O-N 3.1Å; Y484-R487 PolarHBondContact O-N 3.1Å; Y484-F488 HydrophobicContact CD1-CD2 4.32Å; Y484-F488 AromaticContact CD1-CE2 3.78Å; Y484-F488 HydrophobicContact CD1-CE2 3.78Å; Y484-F488 HydrophobicContact CG-CE2 4.39Å; Y484-F488 WeakPolarHBondContact O-CB 3.29Å; Y484-F488 VanDerWaalsContact O-CD2 3.25Å; Y484-F488 WeakPolarHBondContact O-CD2 3.34Å; Y484-F488 PolarHBondContact O-N 3.07Å; Y484-I527 HydrophobicContact CD2-CG2 4.08Å
485	F	93.4	Very high	90.4	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-60.6	-47.4	172.7	-171.1	-74.2	0	0	0	110.8	V481 R482 R487 L489 L490 L502 Y508 W534 M551	V481-F485 WeakPolarHBondContact O-CB 3.33Å; V481-F485 PolarHBondContact O-N 3.05Å; R482-F485 PolarHBondContact O-N 2.88Å; F485-R487 PolarHBondContact O-N 3.1Å; F485-L489 HydrophobicContact CD1-CB 4.41Å; F485-L489 HydrophobicContact CD1-CD1 4.37Å; F485-L489 HydrophobicContact CD2-CD1 3.61Å; F485-L489 HydrophobicContact CE1-CB 4.43Å; F485-L489 HydrophobicContact CE1-CD1 4.35Å; F485-L489 HydrophobicContact CE2-CD1 3.59Å; F485-L489 HydrophobicContact CG-CD1 4.02Å; F485-L489 HydrophobicContact CZ-CD1 4.01Å; F485-L489 WeakPolarHBondContact O-CA 3.32Å; F485-L489 VanDerWaalsContact O-CB 3.31Å; F485-L489 WeakPolarHBondContact O-CB 3.36Å; F485-L489 PolarHBondContact O-N 2.97Å; F485-L490 HydrophobicContact CD1-CD1 4.07Å; F485-L490 HydrophobicContact CD1-CD2 4.4Å; F485-L490 HydrophobicContact CD1-CG 3.87Å; F485-L490 HydrophobicContact CE1-CD1 4.21Å; F485-L490 HydrophobicContact CE1-CD2 3.87Å; F485-L490 HydrophobicContact CE1-CG 3.85Å; F485-L490 PolarHBondContact O-N 3.37Å; F485-L502 HydrophobicContact CE1-CD2 3.81Å; F485-L502 HydrophobicContact CE2-CD2 4.35Å; F485-L502 HydrophobicContact CZ-CD2 3.31Å; F485-Y508 HydrophobicContact CB-CD2 4.46Å; F485-Y508 HydrophobicContact CB-CE2 3.78Å; F485-Y508 AromaticContact CD1-CD2 3.27Å; F485-Y508 HydrophobicContact CD1-CD2 3.27Å; F485-Y508 AromaticContact CD1-CE2 3.24Å; F485-Y508 HydrophobicContact CD1-CE2 3.24Å; F485-Y508 HydrophobicContact CD1-CG 4.38Å; F485-Y508 HydrophobicContact CD2-CD2 4.06Å; F485-Y508 HydrophobicContact CD2-CE2 4.2Å; F485-Y508 AromaticContact CE1-CD2 3.25Å; F485-Y508 HydrophobicContact CE1-CD2 3.25Å; F485-Y508 AromaticContact CE1-CE2 3.77Å; F485-Y508 HydrophobicContact CE1-CE2 3.77Å; F485-Y508 HydrophobicContact CE1-CG 4.08Å; F485-Y508 HydrophobicContact CE2-CD2 4.05Å; F485-Y508 AromaticContact CG-CD2 3.69Å; F485-Y508 HydrophobicContact CG-CD2 3.69Å; F485-Y508 AromaticContact CG-CE2 3.48Å; F485-Y508 HydrophobicContact CG-CE2 3.48Å; F485-Y508 VanDerWaalsContact CG-CE2 3.48Å; F485-Y508 AromaticContact CZ-CD2 3.64Å; F485-Y508 HydrophobicContact CZ-CD2 3.64Å; F485-Y508 HydrophobicContact CZ-CE2 4.41Å; F485-Y508 HydrophobicContact CZ-CG 4.47Å; F485-W534 HydrophobicContact CD2-CE3 4.03Å; F485-W534 AromaticContact CD2-CZ3 3.69Å; F485-W534 HydrophobicContact CD2-CZ3 3.69Å; F485-W534 HydrophobicContact CE2-CZ3 4.48Å; F485-M551 HydrophobicContact CD2-CE 4.28Å; F485-M551 HydrophobicContact CE2-CE 3.65Å
486	D	91.6	Very high	88.9	Confident	60 Å²	60	59.2 Å²	59.2	32%	0.321	28%	0.276	S	S	.	.	I	π-helix	trans	-57.8	-50.7	175.2	179.2	61.9	0	0	0	111.3	R482 F488 L490 Q491	R482-D486 PolarHBondContact O-N 3.06Å; D486-F488 PolarHBondContact O-N 3.04Å; D486-L490 HydrophobicContact CB-CD1 4.38Å; D486-L490 PolarHBondContact O-N 3.3Å; D486-Q491 WeakPolarHBondContact O-CG 3.37Å; D486-Q491 PolarHBondContact O-N 3.42Å; D486-Q491 PolarHBondContact OD2-NE2 2.87Å
487	R	91	Very high	87.5	Confident	125 Å²	125	63.1 Å²	63.1	47%	0.472	31%	0.305	S	S	.	.	I	π-helix	trans	-64	-41	-176.5	-177.3	175.8	177.9	166.8	0.7	114.3	H483 Y484 F485 P492	H483-R487 WeakPolarHBondContact O-CB 3.44Å; H483-R487 PolarHBondContact O-N 3.25Å; H483-R487 VanDerWaalsContact O-N 3.11Å; Y484-R487 PolarHBondContact O-N 3.1Å; F485-R487 PolarHBondContact O-N 3.1Å; R487-P492 WeakPolarHBondContact O-CD 3.28Å
488	F	90.7	Very high	86.1	Confident	38 Å²	38	66 Å²	66	17%	0.167	32%	0.319	C	S	.	.	I	π-helix	trans	-100.5	-20.5	-171.1	-69.9	-70.7	0	0	0	114.2	Y484 D486 P492 A531 V532 Q535	Y484-F488 HydrophobicContact CD1-CD2 4.32Å; Y484-F488 AromaticContact CD1-CE2 3.78Å; Y484-F488 HydrophobicContact CD1-CE2 3.78Å; Y484-F488 HydrophobicContact CG-CE2 4.39Å; Y484-F488 WeakPolarHBondContact O-CB 3.29Å; Y484-F488 VanDerWaalsContact O-CD2 3.25Å; Y484-F488 WeakPolarHBondContact O-CD2 3.34Å; Y484-F488 PolarHBondContact O-N 3.07Å; D486-F488 PolarHBondContact O-N 3.04Å; F488-P492 WeakPolarHBondContact O-CG 3.46Å; F488-A531 HydrophobicContact CB-CB 4.37Å; F488-A531 HydrophobicContact CD2-CB 3.81Å; F488-A531 HydrophobicContact CG-CB 4.44Å; F488-V532 HydrophobicContact CD1-CG2 4.16Å; F488-V532 HydrophobicContact CD2-CG2 4.48Å; F488-V532 HydrophobicContact CE1-CG2 3.83Å; F488-V532 HydrophobicContact CE2-CG2 4.18Å; F488-V532 HydrophobicContact CG-CG2 4.49Å; F488-V532 HydrophobicContact CZ-CG2 3.85Å; F488-Q535 PolarHBondContact O-NE2 3.19Å; F488-Q535 VanDerWaalsContact O-NE2 3.1Å
489	L	89.2	Confident	84.8	Confident	0 Å²	0	73.4 Å²	73.4	0%	0	35%	0.345	C	S	.	.	I	π-helix	trans	-115.7	-55.3	-178.2	-57.8	175.2	0	0	0	111.4	F485 S493 I500 W534 Q535 L546	F485-L489 HydrophobicContact CD1-CB 4.41Å; F485-L489 HydrophobicContact CD1-CD1 4.37Å; F485-L489 HydrophobicContact CD2-CD1 3.61Å; F485-L489 HydrophobicContact CE1-CB 4.43Å; F485-L489 HydrophobicContact CE1-CD1 4.35Å; F485-L489 HydrophobicContact CE2-CD1 3.59Å; F485-L489 HydrophobicContact CG-CD1 4.02Å; F485-L489 HydrophobicContact CZ-CD1 4.01Å; F485-L489 WeakPolarHBondContact O-CA 3.32Å; F485-L489 VanDerWaalsContact O-CB 3.31Å; F485-L489 WeakPolarHBondContact O-CB 3.36Å; F485-L489 PolarHBondContact O-N 2.97Å; L489-S493 WeakPolarHBondContact O-CB 3.21Å; L489-S493 PolarHBondContact O-N 2.81Å; L489-S493 PolarHBondContact O-OG 3.47Å; L489-I500 HydrophobicContact CD2-CG2 4.45Å; L489-W534 HydrophobicContact CD1-CB 4.07Å; L489-W534 HydrophobicContact CD1-CD2 4.49Å; L489-W534 HydrophobicContact CD1-CE3 3.87Å; L489-W534 HydrophobicContact CD2-CB 4.17Å; L489-Q535 HydrophobicContact CD2-CB 4.16Å; L489-L546 HydrophobicContact CD1-CD2 3.76Å; L489-L546 HydrophobicContact CD2-CD2 3.99Å
490	L	86.5	Confident	84.2	Confident	49 Å²	49	68.2 Å²	68.2	26%	0.257	33%	0.325	S	S	.	.	I	π-helix	trans	-70.3	-50.6	-174.7	-60.2	179.1	0	0	0	112.3	F485 D486 S493 L494 L502	F485-L490 HydrophobicContact CD1-CD1 4.07Å; F485-L490 HydrophobicContact CD1-CD2 4.4Å; F485-L490 HydrophobicContact CD1-CG 3.87Å; F485-L490 HydrophobicContact CE1-CD1 4.21Å; F485-L490 HydrophobicContact CE1-CD2 3.87Å; F485-L490 HydrophobicContact CE1-CG 3.85Å; F485-L490 PolarHBondContact O-N 3.37Å; D486-L490 HydrophobicContact CB-CD1 4.38Å; D486-L490 PolarHBondContact O-N 3.3Å; L490-S493 WeakPolarHBondContact CA-OG 3.47Å; L490-S493 PolarHBondContact O-N 3.28Å; L490-S493 VanDerWaalsContact O-N 3.09Å; L490-S493 PolarHBondContact O-OG 3.26Å; L490-L494 WeakPolarHBondContact O-CG 3.48Å; L490-L494 PolarHBondContact O-N 3.02Å; L490-L494 VanDerWaalsContact O-N 3.15Å; L490-L502 HydrophobicContact CD2-CD1 4.32Å
491	Q	85.9	Confident	83.6	Confident	99 Å²	99	72.9 Å²	72.9	46%	0.463	35%	0.347	S	S	.	.	H	α-helix	trans	-60.9	-43.3	-179.4	-68.8	178.9	11.8	0	0	113	D486 L494 T495	D486-Q491 WeakPolarHBondContact O-CG 3.37Å; D486-Q491 PolarHBondContact O-N 3.42Å; D486-Q491 PolarHBondContact OD2-NE2 2.87Å; Q491-L494 PolarHBondContact O-N 2.7Å; Q491-T495 PolarHBondContact O-OG1 3.46Å
492	P	82.2	Confident	83	Confident	16 Å²	16	75 Å²	75	10%	0.104	36%	0.358	C	S	.	.	H	α-helix	trans	-62.1	-40.4	171.3	-28.7	40.5	0	0	0	113	R487 F488 L494 T495 H498 I500	R487-P492 WeakPolarHBondContact O-CD 3.28Å; F488-P492 WeakPolarHBondContact O-CG 3.46Å; P492-L494 PolarHBondContact O-N 3.1Å; P492-T495 PolarHBondContact O-N 3.35Å; P492-H498 HydrophobicContact CB-CB 4.01Å; P492-H498 WeakPolarHBondContact O-CB 3.17Å; P492-I500 HydrophobicContact CB-CD1 4.26Å
493	S	76.5	Confident	82.6	Confident	46 Å²	46	72.1 Å²	72.1	32%	0.322	35%	0.351	S	S	.	.	H	α-helix	trans	-61.6	-25.6	178.7	74.5	0	0	0	0	113.9	L489 L490 I500	L489-S493 WeakPolarHBondContact O-CB 3.21Å; L489-S493 PolarHBondContact O-N 2.81Å; L489-S493 PolarHBondContact O-OG 3.47Å; L490-S493 WeakPolarHBondContact CA-OG 3.47Å; L490-S493 PolarHBondContact O-N 3.28Å; L490-S493 VanDerWaalsContact O-N 3.09Å; L490-S493 PolarHBondContact O-OG 3.26Å; S493-I500 VanDerWaalsContact CB-O 3.28Å; S493-I500 WeakPolarHBondContact CB-O 3.48Å
494	L	78.7	Confident	81.9	Confident	145 Å²	145	79.3 Å²	79.3	76%	0.759	39%	0.385	S	S	*	.	H	α-helix	trans	-78.3	-20.8	175.1	-64.9	172.3	0	0	0	113.2	L490 Q491 P492	L490-L494 WeakPolarHBondContact O-CG 3.48Å; L490-L494 PolarHBondContact O-N 3.02Å; L490-L494 VanDerWaalsContact O-N 3.15Å; Q491-L494 PolarHBondContact O-N 2.7Å; P492-L494 PolarHBondContact O-N 3.1Å
495	T	77.2	Confident	81.4	Confident	73 Å²	73	83.2 Å²	83.2	45%	0.448	41%	0.408	S	S	.	.	S	Bend	trans	-91.4	121	-176.6	-53.6	0	0	0	0	109.3	Q491 P492 S497 H498	Q491-T495 PolarHBondContact O-OG1 3.46Å; P492-T495 PolarHBondContact O-N 3.35Å; T495-S497 PolarHBondContact O-N 2.84Å; T495-H498 PolarHBondContact O-N 3.46Å
496	K	64.4	Low	81	Confident	217 Å²	217	84.4 Å²	84.4	94%	0.943	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51	-20.3	-179.7	-68.1	-173	178.1	-176.8	0	115.2
497	S	66.1	Low	80.9	Confident	95 Å²	95	86.2 Å²	86.2	66%	0.664	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-17.2	179.8	-165.9	0	0	0	0	114.3	T495	T495-S497 PolarHBondContact O-N 2.84Å
498	H	66.1	Low	80.7	Confident	80 Å²	80	83.5 Å²	83.5	37%	0.37	41%	0.414	S	S	.	.			trans	-120.4	113.8	-175.2	-62.9	-65.1	0	0	0	110.1	P492 T495 I500 Y539	P492-H498 HydrophobicContact CB-CB 4.01Å; P492-H498 WeakPolarHBondContact O-CB 3.17Å; T495-H498 PolarHBondContact O-N 3.46Å; H498-I500 VanDerWaalsContact C-N 3.29Å; H498-I500 PolarHBondContact O-N 3.03Å; H498-I500 VanDerWaalsContact O-N 3.14Å; H498-Y539 PolarHBondContact ND1-OH 3.41Å
499	R	69.6	Low	80.8	Confident	205 Å²	205	83.8 Å²	83.8	77%	0.774	42%	0.423	S	S	*	.			trans	-86.5	67.2	176.9	-64.7	-178.9	179.2	169.3	-1.9	110.2
500	I	81.6	Confident	81	Confident	1 Å²	1	88.2 Å²	88.2	1%	0.005	45%	0.45	C	S	.	.			trans	-106.2	118.8	167.4	-60.8	179.2	0	0	0	107	L489 P492 S493 H498 Q535 A538 Y539	L489-I500 HydrophobicContact CD2-CG2 4.45Å; P492-I500 HydrophobicContact CB-CD1 4.26Å; S493-I500 VanDerWaalsContact CB-O 3.28Å; S493-I500 WeakPolarHBondContact CB-O 3.48Å; H498-I500 VanDerWaalsContact C-N 3.29Å; H498-I500 PolarHBondContact O-N 3.03Å; H498-I500 VanDerWaalsContact O-N 3.14Å; I500-Q535 HydrophobicContact CD1-CG 3.56Å; I500-A538 HydrophobicContact CG1-CB 4.36Å; I500-A538 HydrophobicContact CG2-CB 3.89Å; I500-Y539 HydrophobicContact CD1-CD2 4.49Å; I500-Y539 HydrophobicContact CD1-CE1 4.05Å; I500-Y539 HydrophobicContact CD1-CE2 3.86Å; I500-Y539 HydrophobicContact CG1-CD1 4.28Å; I500-Y539 HydrophobicContact CG1-CE1 3.75Å; I500-Y539 HydrophobicContact CG1-CE2 4.45Å
501	H	83.4	Confident	81.3	Confident	108 Å²	108	86 Å²	86	50%	0.5	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	136	174.2	-62.3	-72.2	0	0	0	109	G544 V545 L546	H501-G544 PolarHBondContact N-O 3.35Å; H501-V545 HydrophobicContact CB-CG2 4.12Å; H501-V545 CarbonylContact O-C 3.58Å; H501-V545 VanDerWaalsContact O-CA 3.28Å; H501-V545 WeakPolarHBondContact O-CA 3.45Å; H501-L546 PolarHBondContact O-N 3.29Å
502	L	85.5	Confident	81.7	Confident	49 Å²	49	81.4 Å²	81.4	26%	0.257	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	139.1	170.2	-71.6	89.6	0	0	0	108.4	F485 L490 E504	F485-L502 HydrophobicContact CE1-CD2 3.81Å; F485-L502 HydrophobicContact CE2-CD2 4.35Å; F485-L502 HydrophobicContact CZ-CD2 3.31Å; L490-L502 HydrophobicContact CD2-CD1 4.32Å; L502-E504 PolarHBondContact O-N 3.41Å
503	A	85.4	Confident	82.4	Confident	18 Å²	18	81.7 Å²	81.7	15%	0.149	42%	0.42	C	S	.	.			trans	-58.6	138.6	172.4	0	0	0	0	0	110.4	N505 I506 V545 L546	A503-N505 WeakPolarHBondContact CB-OD1 3.41Å; A503-N505 PolarHBondContact O-N 3.03Å; A503-I506 HydrophobicContact CB-CD1 4.04Å; A503-I506 HydrophobicContact CB-CG1 4.25Å; A503-I506 PolarHBondContact O-N 3.34Å; A503-I506 VanDerWaalsContact O-N 3.1Å; A503-V545 HydrophobicContact CB-CG1 4.06Å; A503-L546 PolarHBondContact N-O 2.75Å
504	E	80.1	Confident	83.3	Confident	209 Å²	209	82.5 Å²	82.5	98%	0.977	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-21.6	-171.1	-63.6	-175.5	167.7	0	0	113.7	L502	L502-E504 PolarHBondContact O-N 3.41Å
505	N	84.4	Confident	84.2	Confident	115 Å²	115	75.6 Å²	75.6	62%	0.615	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-6	-178.5	64.9	-30.5	0	0	0	114.5	A503 N507	A503-N505 WeakPolarHBondContact CB-OD1 3.41Å; A503-N505 PolarHBondContact O-N 3.03Å; N505-N507 PolarHBondContact O-N 3.12Å
506	I	84.6	Confident	85.1	Confident	24 Å²	24	72.1 Å²	72.1	12%	0.123	36%	0.362	C	S	.	.			trans	-83.9	105.4	-173.8	-59.1	174.4	0	0	0	110.6	A503 Y508 K511 L546 E548 M551	A503-I506 HydrophobicContact CB-CD1 4.04Å; A503-I506 HydrophobicContact CB-CG1 4.25Å; A503-I506 PolarHBondContact O-N 3.34Å; A503-I506 VanDerWaalsContact O-N 3.1Å; I506-Y508 PolarHBondContact O-N 3.23Å; I506-Y508 VanDerWaalsContact O-N 3.12Å; I506-K511 HydrophobicContact CG2-CB 4.46Å; I506-L546 VanDerWaalsContact CD1-O 3.24Å; I506-L546 WeakPolarHBondContact CD1-O 3.49Å; I506-E548 HydrophobicContact CG1-CB 4.37Å; I506-M551 HydrophobicContact CD1-SD 3.99Å; I506-M551 HydrophobicContact CG2-SD 4.33Å
507	N	89.5	Confident	86.6	Confident	99 Å²	99	68.6 Å²	68.6	53%	0.529	35%	0.346	S	S	.	.			trans	-77	98.4	165.8	-172.4	-33.2	0	0	0	110.2	N505 A509 V510 K511	N505-N507 PolarHBondContact O-N 3.12Å; N507-A509 VanDerWaalsContact C-N 3.3Å; N507-A509 PolarHBondContact O-N 2.86Å; N507-A509 PolarHBondContact OD1-N 3.3Å; N507-A509 VanDerWaalsContact OD1-N 3.15Å; N507-V510 HydrophobicContact CB-CB 4.16Å; N507-V510 HydrophobicContact CB-CG2 4.16Å; N507-V510 PolarHBondContact O-N 2.78Å; N507-V510 PolarHBondContact OD1-N 3.06Å; N507-K511 PolarHBondContact O-N 3.2Å
508	Y	88	Confident	88.1	Confident	68 Å²	68	67.4 Å²	67.4	27%	0.267	33%	0.327	S	S	.	.	H	α-helix	trans	-47.2	-47	179.2	159.9	-111.2	0	0	0	114.1	R482 F485 I506 V510 K511 C512	R482-Y508 VanDerWaalsContact CA-OH 3.24Å; R482-Y508 WeakPolarHBondContact CA-OH 3.47Å; R482-Y508 WeakPolarHBondContact CB-OH 3.27Å; R482-Y508 HydrophobicContact CG-CE2 4.32Å; R482-Y508 VanDerWaalsContact CG-OH 3.26Å; R482-Y508 WeakPolarHBondContact CG-OH 3.35Å; R482-Y508 PolarHBondContact O-OH 3.45Å; F485-Y508 HydrophobicContact CB-CD2 4.46Å; F485-Y508 HydrophobicContact CB-CE2 3.78Å; F485-Y508 AromaticContact CD1-CD2 3.27Å; F485-Y508 HydrophobicContact CD1-CD2 3.27Å; F485-Y508 AromaticContact CD1-CE2 3.24Å; F485-Y508 HydrophobicContact CD1-CE2 3.24Å; F485-Y508 HydrophobicContact CD1-CG 4.38Å; F485-Y508 HydrophobicContact CD2-CD2 4.06Å; F485-Y508 HydrophobicContact CD2-CE2 4.2Å; F485-Y508 AromaticContact CE1-CD2 3.25Å; F485-Y508 HydrophobicContact CE1-CD2 3.25Å; F485-Y508 AromaticContact CE1-CE2 3.77Å; F485-Y508 HydrophobicContact CE1-CE2 3.77Å; F485-Y508 HydrophobicContact CE1-CG 4.08Å; F485-Y508 HydrophobicContact CE2-CD2 4.05Å; F485-Y508 AromaticContact CG-CD2 3.69Å; F485-Y508 HydrophobicContact CG-CD2 3.69Å; F485-Y508 AromaticContact CG-CE2 3.48Å; F485-Y508 HydrophobicContact CG-CE2 3.48Å; F485-Y508 VanDerWaalsContact CG-CE2 3.48Å; F485-Y508 AromaticContact CZ-CD2 3.64Å; F485-Y508 HydrophobicContact CZ-CD2 3.64Å; F485-Y508 HydrophobicContact CZ-CE2 4.41Å; F485-Y508 HydrophobicContact CZ-CG 4.47Å; I506-Y508 PolarHBondContact O-N 3.23Å; I506-Y508 VanDerWaalsContact O-N 3.12Å; Y508-V510 PolarHBondContact O-N 2.81Å; Y508-K511 PolarHBondContact O-N 3.36Å; Y508-C512 WeakPolarHBondContact CD2-SG 3.19Å; Y508-C512 WeakPolarHBondContact CE2-SG 3.02Å; Y508-C512 WeakPolarHBondContact O-CB 3.45Å; Y508-C512 PolarHBondContact O-N 2.95Å; Y508-C512 PolarHBondContact O-SG 3.39Å
509	A	91.3	Very high	89.5	Confident	44 Å²	44	63.6 Å²	63.6	36%	0.364	31%	0.31	S	S	.	.	H	α-helix	trans	-66.9	-41.3	-174.2	0	0	0	0	0	111.6	N507 A513	N507-A509 VanDerWaalsContact C-N 3.3Å; N507-A509 PolarHBondContact O-N 2.86Å; N507-A509 PolarHBondContact OD1-N 3.3Å; N507-A509 VanDerWaalsContact OD1-N 3.15Å; A509-A513 PolarHBondContact O-N 3.34Å
510	V	94.2	Very high	90.6	Very high	92 Å²	92	58.2 Å²	58.2	56%	0.558	30%	0.3	S	S	*	.	H	α-helix	trans	-69	-46.7	177.2	178.2	0	0	0	0	110.2	N507 Y508 C512 A513 E514	N507-V510 HydrophobicContact CB-CB 4.16Å; N507-V510 HydrophobicContact CB-CG2 4.16Å; N507-V510 PolarHBondContact O-N 2.78Å; N507-V510 PolarHBondContact OD1-N 3.06Å; Y508-V510 PolarHBondContact O-N 2.81Å; V510-C512 PolarHBondContact O-N 3.05Å; V510-A513 PolarHBondContact O-N 3.08Å; V510-E514 PolarHBondContact O-N 3.02Å
511	K	93	Very high	91.1	Very high	4 Å²	4	59.2 Å²	59.2	2%	0.017	31%	0.311	C	S	.	.	H	α-helix	trans	-63	-41.7	-178.8	-164.4	64.3	178	179.9	0	112	I506 N507 Y508 A513 E514 V515 E548 M551 D552	I506-K511 HydrophobicContact CG2-CB 4.46Å; N507-K511 PolarHBondContact O-N 3.2Å; Y508-K511 PolarHBondContact O-N 3.36Å; K511-A513 VanDerWaalsContact C-N 3.34Å; K511-A513 PolarHBondContact O-N 2.91Å; K511-E514 WeakPolarHBondContact CD-OE2 3.46Å; K511-E514 IonicContact NZ-OE1 3.54Å; K511-E514 IonicContact NZ-OE2 2.76Å; K511-E514 PolarHBondContact NZ-OE2 2.94Å; K511-E514 WeakPolarHBondContact O-CB 3.47Å; K511-E514 PolarHBondContact O-N 3.48Å; K511-V515 HydrophobicContact CG-CG2 4.47Å; K511-V515 VanDerWaalsContact O-CG2 3.26Å; K511-V515 WeakPolarHBondContact O-CG2 3.48Å; K511-V515 PolarHBondContact O-N 3.14Å; K511-E548 HydrophobicContact CD-CG 4.37Å; K511-E548 IonicContact NZ-OE1 3.48Å; K511-E548 PolarHBondContact NZ-OE1 3.18Å; K511-M551 HydrophobicContact CG-CE 3.74Å; K511-M551 HydrophobicContact CG-SD 4.39Å; K511-D552 VanDerWaalsContact CE-OD1 3.25Å; K511-D552 WeakPolarHBondContact CE-OD1 3.39Å; K511-D552 IonicContact NZ-OD1 2.88Å; K511-D552 PolarHBondContact NZ-OD1 2.84Å; K511-D552 IonicContact NZ-OD2 2.83Å; K511-D552 PolarHBondContact NZ-OD2 3.09Å
512	C	95	Very high	91.7	Very high	1 Å²	1	54.3 Å²	54.3	1%	0.007	29%	0.288	C	S	.	.	H	α-helix	trans	-62.3	-40.5	176.2	-70.5	0	0	0	0	112.8	V481 R482 Y508 V510 A516	V481-C512 HydrophobicContact CG1-CB 3.94Å; R482-C512 HydrophobicContact CG-CB 3.74Å; Y508-C512 WeakPolarHBondContact CD2-SG 3.19Å; Y508-C512 WeakPolarHBondContact CE2-SG 3.02Å; Y508-C512 WeakPolarHBondContact O-CB 3.45Å; Y508-C512 PolarHBondContact O-N 2.95Å; Y508-C512 PolarHBondContact O-SG 3.39Å; V510-C512 PolarHBondContact O-N 3.05Å; C512-A516 VanDerWaalsContact O-CB 3.31Å; C512-A516 WeakPolarHBondContact O-CB 3.38Å; C512-A516 PolarHBondContact O-N 2.93Å
513	A	96.2	Very high	92.1	Very high	22 Å²	22	52.3 Å²	52.3	18%	0.182	28%	0.278	C	S	.	.	H	α-helix	trans	-67.4	-38.3	176.8	0	0	0	0	0	111.9	A509 V510 K511 A516 K517	A509-A513 PolarHBondContact O-N 3.34Å; V510-A513 PolarHBondContact O-N 3.08Å; K511-A513 VanDerWaalsContact C-N 3.34Å; K511-A513 PolarHBondContact O-N 2.91Å; A513-A516 PolarHBondContact O-N 3.28Å; A513-K517 WeakPolarHBondContact O-CG 3.31Å; A513-K517 PolarHBondContact O-N 3Å
514	E	95.7	Very high	92.5	Very high	63 Å²	63	52 Å²	52	29%	0.294	28%	0.276	S	S	.	.	H	α-helix	trans	-62.2	-50.6	174.2	-167.9	-146.3	136.7	0	0	111.5	V510 K511 A516 K517 R518	V510-E514 PolarHBondContact O-N 3.02Å; K511-E514 WeakPolarHBondContact CD-OE2 3.46Å; K511-E514 IonicContact NZ-OE1 3.54Å; K511-E514 IonicContact NZ-OE2 2.76Å; K511-E514 PolarHBondContact NZ-OE2 2.94Å; K511-E514 WeakPolarHBondContact O-CB 3.47Å; K511-E514 PolarHBondContact O-N 3.48Å; E514-A516 VanDerWaalsContact C-N 3.29Å; E514-A516 PolarHBondContact O-N 3.15Å; E514-K517 WeakPolarHBondContact O-CB 3.46Å; E514-K517 PolarHBondContact O-N 3.28Å; E514-K517 VanDerWaalsContact O-N 3.12Å; E514-R518 PolarHBondContact O-N 3.26Å; E514-R518 VanDerWaalsContact O-N 3.12Å; E514-R518 WeakPolarHBondContact OE1-CD 3.36Å; E514-R518 IonicContact OE1-CZ 2.73Å; E514-R518 IonicContact OE1-NH1 2.65Å; E514-R518 PolarHBondContact OE1-NH1 2.79Å
515	V	96.3	Very high	93.2	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-61.7	-38.5	178.4	175.2	0	0	0	0	110.9	V481 K511 K517 R518 T519 W534 V555	V481-V515 HydrophobicContact CG1-CB 4.31Å; V481-V515 HydrophobicContact CG1-CG1 4.22Å; V481-V515 HydrophobicContact CG2-CG1 4.03Å; K511-V515 HydrophobicContact CG-CG2 4.47Å; K511-V515 VanDerWaalsContact O-CG2 3.26Å; K511-V515 WeakPolarHBondContact O-CG2 3.48Å; K511-V515 PolarHBondContact O-N 3.14Å; V515-K517 VanDerWaalsContact C-N 3.31Å; V515-K517 PolarHBondContact O-N 3.36Å; V515-R518 PolarHBondContact O-N 3.39Å; V515-T519 HydrophobicContact CG1-CG2 3.88Å; V515-T519 WeakPolarHBondContact O-CB 3.22Å; V515-T519 VanDerWaalsContact O-CG2 3.22Å; V515-T519 WeakPolarHBondContact O-CG2 3.2Å; V515-T519 PolarHBondContact O-N 3.41Å; V515-T519 PolarHBondContact O-OG1 3.04Å; V515-W534 HydrophobicContact CB-CH2 4.48Å; V515-W534 HydrophobicContact CG1-CH2 4.06Å; V515-W534 HydrophobicContact CG1-CZ2 4.13Å; V515-W534 HydrophobicContact CG2-CH2 4.12Å; V515-W534 HydrophobicContact CG2-CZ2 3.92Å; V515-V555 HydrophobicContact CG1-CG1 4.48Å; V515-V555 HydrophobicContact CG1-CG2 3.97Å; V515-V555 HydrophobicContact CG2-CG2 4Å
516	A	96.7	Very high	93.8	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-62.2	-35.9	175.9	0	0	0	0	0	113.2	L474 R477 E478 C512 A513 E514 T519	L474-A516 HydrophobicContact CD1-CB 4.45Å; R477-A516 HydrophobicContact CB-CB 4.13Å; R477-A516 PolarHBondContact NE-O 3.06Å; R477-A516 PolarHBondContact NH2-O 2.76Å; R477-A516 VanDerWaalsContact NH2-O 3.09Å; E478-A516 HydrophobicContact CB-CB 3.77Å; E478-A516 HydrophobicContact CG-CB 4.39Å; C512-A516 VanDerWaalsContact O-CB 3.31Å; C512-A516 WeakPolarHBondContact O-CB 3.38Å; C512-A516 PolarHBondContact O-N 2.93Å; A513-A516 PolarHBondContact O-N 3.28Å; E514-A516 VanDerWaalsContact C-N 3.29Å; E514-A516 PolarHBondContact O-N 3.15Å; A516-T519 PolarHBondContact O-OG1 3.35Å
517	K	96.8	Very high	94.3	Very high	143 Å²	143	44.7 Å²	44.7	62%	0.622	23%	0.231	S	C	*	.	H	α-helix	trans	-68.3	-41.5	174.5	-70.6	173.1	-177.7	178.9	0	111.6	L474 A513 E514 V515 T520	L474-K517 HydrophobicContact CD1-CG 3.87Å; A513-K517 WeakPolarHBondContact O-CG 3.31Å; A513-K517 PolarHBondContact O-N 3Å; E514-K517 WeakPolarHBondContact O-CB 3.46Å; E514-K517 PolarHBondContact O-N 3.28Å; E514-K517 VanDerWaalsContact O-N 3.12Å; V515-K517 VanDerWaalsContact C-N 3.31Å; V515-K517 PolarHBondContact O-N 3.36Å; K517-T520 PolarHBondContact O-OG1 3.44Å
518	R	96.1	Very high	94.6	Very high	70 Å²	70	41.1 Å²	41.1	26%	0.264	21%	0.214	S	C	.	.	H	α-helix	trans	-72.9	-28.5	-178.6	-69.4	170.8	65.2	-169.1	-1.3	113.9	E514 V515 T520 D552 V555 D556 I559	E514-R518 PolarHBondContact O-N 3.26Å; E514-R518 VanDerWaalsContact O-N 3.12Å; E514-R518 WeakPolarHBondContact OE1-CD 3.36Å; E514-R518 IonicContact OE1-CZ 2.73Å; E514-R518 IonicContact OE1-NH1 2.65Å; E514-R518 PolarHBondContact OE1-NH1 2.79Å; V515-R518 PolarHBondContact O-N 3.39Å; R518-T520 VanDerWaalsContact C-N 3.27Å; R518-T520 PolarHBondContact O-N 2.77Å; R518-D552 IonicContact CZ-OD1 3.03Å; R518-D552 IonicContact NH1-OD1 3.71Å; R518-D552 PolarHBondContact NH1-OD1 3.39Å; R518-V555 HydrophobicContact CB-CG1 4.46Å; R518-D556 IonicContact CZ-OD1 3Å; R518-D556 IonicContact NH2-OD1 2.66Å; R518-D556 PolarHBondContact NH2-OD1 3.29Å; R518-D556 IonicContact NH2-OD2 2.65Å; R518-D556 PolarHBondContact NH2-OD2 3Å; R518-D556 VanDerWaalsContact NH2-OD2 3.16Å; R518-I559 HydrophobicContact CB-CD1 3.93Å; R518-I559 WeakPolarHBondContact O-CD1 3.47Å
519	T	95.2	Very high	95	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	32.4	-174.4	52.1	0	0	0	0	114.5	R477 V515 A516 G521 L522 I530 V555	R477-T519 WeakPolarHBondContact CD-O 3.33Å; V515-T519 HydrophobicContact CG1-CG2 3.88Å; V515-T519 WeakPolarHBondContact O-CB 3.22Å; V515-T519 VanDerWaalsContact O-CG2 3.22Å; V515-T519 WeakPolarHBondContact O-CG2 3.2Å; V515-T519 PolarHBondContact O-N 3.41Å; V515-T519 PolarHBondContact O-OG1 3.04Å; A516-T519 PolarHBondContact O-OG1 3.35Å; T519-G521 PolarHBondContact O-N 3.39Å; T519-L522 HydrophobicContact CG2-CD2 3.97Å; T519-L522 WeakPolarHBondContact O-CB 3.38Å; T519-L522 PolarHBondContact O-N 3.41Å; T519-I530 HydrophobicContact CG2-CD1 3.64Å; T519-V555 HydrophobicContact CG2-CG1 4.48Å
520	T	93.9	Very high	95.3	Very high	93 Å²	93	41.3 Å²	41.3	57%	0.571	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	131.1	178.8	-62.7	0	0	0	0	111.1	R477 K517 R518 L522	R477-T520 PolarHBondContact NH2-OG1 2.83Å; R477-T520 VanDerWaalsContact NH2-OG1 3.11Å; K517-T520 PolarHBondContact O-OG1 3.44Å; R518-T520 VanDerWaalsContact C-N 3.27Å; R518-T520 PolarHBondContact O-N 2.77Å; T520-L522 VanDerWaalsContact C-N 3.32Å; T520-L522 PolarHBondContact O-N 3.44Å
521	G	92.2	Very high	95.3	Very high	22 Å²	22	37 Å²	37	23%	0.227	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.3	-5.4	-179.5	0	0	0	0	0	115.3	L471 T519	L471-G521 WeakPolarHBondContact CD1-O 3.33Å; T519-G521 PolarHBondContact O-N 3.39Å
522	L	94.9	Very high	95.4	Very high	4 Å²	4	39.5 Å²	39.5	2%	0.021	20%	0.197	C	C	.	.			trans	-78	142.9	176.1	-81.3	67.8	0	0	0	111.4	P472 T519 T520 E526 I527 I530 N562	P472-L522 WeakPolarHBondContact CD-O 3.35Å; P472-L522 WeakPolarHBondContact CG-O 3.35Å; T519-L522 HydrophobicContact CG2-CD2 3.97Å; T519-L522 WeakPolarHBondContact O-CB 3.38Å; T519-L522 PolarHBondContact O-N 3.41Å; T520-L522 VanDerWaalsContact C-N 3.32Å; T520-L522 PolarHBondContact O-N 3.44Å; L522-E526 HydrophobicContact CB-CB 4.1Å; L522-E526 HydrophobicContact CD2-CB 4.14Å; L522-E526 HydrophobicContact CG-CB 4.15Å; L522-I527 HydrophobicContact CB-CG1 4.15Å; L522-I530 HydrophobicContact CD2-CD1 3.79Å; L522-N562 HydrophobicContact CD1-CB 4.04Å; L522-N562 HydrophobicContact CG-CB 4.35Å
523	S	94.7	Very high	95.4	Very high	8 Å²	8	40.4 Å²	40.4	6%	0.056	21%	0.207	C	C	.	.			trans	-77.1	162.1	172.2	62.1	0	0	0	0	112.1	R525 E526 I527	S523-R525 PolarHBondContact O-N 2.99Å; S523-E526 PolarHBondContact N-OE2 3.24Å; S523-E526 PolarHBondContact O-N 3.13Å; S523-E526 WeakPolarHBondContact OG-CG 3.29Å; S523-E526 PolarHBondContact OG-N 3.38Å; S523-E526 PolarHBondContact OG-OE2 3.3Å; S523-I527 PolarHBondContact O-N 3.33Å
524	G	94.5	Very high	95.4	Very high	10 Å²	10	39.5 Å²	39.5	10%	0.103	20%	0.199	C	C	.	.	H	α-helix	trans	-56.8	-36.3	175.1	0	0	0	0	0	113	G351 E526 I527 S528	G351-G524 PolarHBondContact O-N 2.7Å; G351-G524 VanDerWaalsContact O-N 3.15Å; G524-E526 PolarHBondContact O-N 3.32Å; G524-I527 PolarHBondContact O-N 3.41Å; G524-S528 WeakPolarHBondContact O-CB 3.29Å; G524-S528 PolarHBondContact O-N 3.01Å
525	R	94.8	Very high	95.2	Very high	160 Å²	160	38.2 Å²	38.2	60%	0.604	19%	0.193	S	C	*	.	H	α-helix	trans	-63	-38.9	173.1	-176	177.4	-177.5	-172.1	0.7	112.6	G351 S523 K529	G351-R525 PolarHBondContact O-N 3.5Å; S523-R525 PolarHBondContact O-N 2.99Å; R525-K529 WeakPolarHBondContact O-CG 3.4Å; R525-K529 PolarHBondContact O-N 3.18Å; R525-K529 VanDerWaalsContact O-N 3.08Å
526	E	95.6	Very high	95	Very high	32 Å²	32	41.9 Å²	41.9	15%	0.15	22%	0.215	C	C	.	.	H	α-helix	trans	-71	-39.8	178	-72.5	168.4	129.4	0	0	111.4	L522 S523 G524 S528 K529 I530 N562 K565	L522-E526 HydrophobicContact CB-CB 4.1Å; L522-E526 HydrophobicContact CD2-CB 4.14Å; L522-E526 HydrophobicContact CG-CB 4.15Å; S523-E526 PolarHBondContact N-OE2 3.24Å; S523-E526 PolarHBondContact O-N 3.13Å; S523-E526 WeakPolarHBondContact OG-CG 3.29Å; S523-E526 PolarHBondContact OG-N 3.38Å; S523-E526 PolarHBondContact OG-OE2 3.3Å; G524-E526 PolarHBondContact O-N 3.32Å; E526-S528 VanDerWaalsContact C-N 3.33Å; E526-S528 PolarHBondContact O-N 3.23Å; E526-K529 WeakPolarHBondContact O-CB 3.42Å; E526-K529 PolarHBondContact O-N 3.39Å; E526-K529 VanDerWaalsContact O-N 3.09Å; E526-I530 PolarHBondContact O-N 3.33Å; E526-I530 VanDerWaalsContact O-N 3.1Å; E526-N562 PolarHBondContact OE1-ND2 3.27Å; E526-N562 PolarHBondContact OE2-ND2 3.08Å; E526-K565 IonicContact OE1-NZ 3.33Å; E526-K565 PolarHBondContact OE1-NZ 2.79Å
527	I	96.3	Very high	94.9	Very high	3 Å²	3	42.8 Å²	42.8	2%	0.015	22%	0.223	C	C	.	.	H	α-helix	trans	-63.4	-40.5	174	-63	164.7	0	0	0	110.8	P472 R477 L480 V481 Y484 L522 S523 G524 K529 I530 A531	P472-I527 HydrophobicContact CG-CD1 4.18Å; R477-I527 HydrophobicContact CB-CD1 4.33Å; R477-I527 HydrophobicContact CG-CD1 3.81Å; L480-I527 HydrophobicContact CB-CD1 4.38Å; L480-I527 HydrophobicContact CB-CG2 4.15Å; L480-I527 HydrophobicContact CD1-CD1 4Å; V481-I527 HydrophobicContact CB-CG2 4.48Å; V481-I527 HydrophobicContact CG2-CG2 3.63Å; Y484-I527 HydrophobicContact CD2-CG2 4.08Å; L522-I527 HydrophobicContact CB-CG1 4.15Å; S523-I527 PolarHBondContact O-N 3.33Å; G524-I527 PolarHBondContact O-N 3.41Å; I527-K529 VanDerWaalsContact C-N 3.29Å; I527-K529 PolarHBondContact O-N 3.47Å; I527-I530 WeakPolarHBondContact O-CB 3.26Å; I527-I530 PolarHBondContact O-N 3.28Å; I527-A531 PolarHBondContact O-N 3.11Å
528	S	95.5	Very high	94.6	Very high	24 Å²	24	36 Å²	36	17%	0.168	19%	0.193	C	C	.	.	H	α-helix	trans	-60.7	-37.3	172.3	178.9	0	0	0	0	112.5	G524 E526 I530 A531 V532	G524-S528 WeakPolarHBondContact O-CB 3.29Å; G524-S528 PolarHBondContact O-N 3.01Å; E526-S528 VanDerWaalsContact C-N 3.33Å; E526-S528 PolarHBondContact O-N 3.23Å; S528-I530 VanDerWaalsContact C-N 3.31Å; S528-A531 PolarHBondContact O-N 2.89Å; S528-V532 WeakPolarHBondContact O-CG2 3.32Å; S528-V532 PolarHBondContact O-N 3.32Å
529	K	96.4	Very high	94.2	Very high	114 Å²	114	37.6 Å²	37.6	50%	0.496	20%	0.2	S	C	.	.	H	α-helix	trans	-66.6	-32.6	176.9	-76.8	178.8	175.2	-168.7	0	112.5	R525 E526 I527 V532 G533	R525-K529 WeakPolarHBondContact O-CG 3.4Å; R525-K529 PolarHBondContact O-N 3.18Å; R525-K529 VanDerWaalsContact O-N 3.08Å; E526-K529 WeakPolarHBondContact O-CB 3.42Å; E526-K529 PolarHBondContact O-N 3.39Å; E526-K529 VanDerWaalsContact O-N 3.09Å; I527-K529 VanDerWaalsContact C-N 3.29Å; I527-K529 PolarHBondContact O-N 3.47Å; K529-V532 PolarHBondContact O-N 3.41Å; K529-G533 PolarHBondContact O-N 3.42Å
530	I	96.8	Very high	94	Very high	3 Å²	3	42.2 Å²	42.2	2%	0.015	23%	0.232	C	C	.	.	H	α-helix	trans	-60.8	-48.4	173	-68	171.4	0	0	0	109.9	T519 L522 E526 I527 S528 V532 G533 W534 V554 V555 A558	T519-I530 HydrophobicContact CG2-CD1 3.64Å; L522-I530 HydrophobicContact CD2-CD1 3.79Å; E526-I530 PolarHBondContact O-N 3.33Å; E526-I530 VanDerWaalsContact O-N 3.1Å; I527-I530 WeakPolarHBondContact O-CB 3.26Å; I527-I530 PolarHBondContact O-N 3.28Å; S528-I530 VanDerWaalsContact C-N 3.31Å; I530-V532 PolarHBondContact O-N 3Å; I530-G533 CarbonylContact O-C 3.59Å; I530-G533 WeakPolarHBondContact O-CA 3.26Å; I530-G533 PolarHBondContact O-N 3.4Å; I530-W534 HydrophobicContact CG2-CD2 4.06Å; I530-W534 VanDerWaalsContact CG2-CE2 3.47Å; I530-W534 HydrophobicContact CG2-CE3 4.47Å; I530-W534 HydrophobicContact CG2-CH2 3.89Å; I530-W534 HydrophobicContact CG2-CZ2 3.41Å; I530-W534 VanDerWaalsContact CG2-CZ2 3.41Å; I530-W534 HydrophobicContact CG2-CZ3 4.37Å; I530-W534 PolarHBondContact O-N 3.32Å; I530-V554 HydrophobicContact CG2-CG1 4.31Å; I530-V555 HydrophobicContact CG2-CG2 3.8Å; I530-A558 HydrophobicContact CD1-CB 3.79Å; I530-A558 HydrophobicContact CG1-CB 3.5Å
531	A	94.9	Very high	93.8	Very high	2 Å²	2	39.1 Å²	39.1	2%	0.017	22%	0.215	C	C	.	.	H	α-helix	trans	-63.5	-38.8	178.7	0	0	0	0	0	113.1	F488 I527 S528 G533 W534 Q535	F488-A531 HydrophobicContact CB-CB 4.37Å; F488-A531 HydrophobicContact CD2-CB 3.81Å; F488-A531 HydrophobicContact CG-CB 4.44Å; I527-A531 PolarHBondContact O-N 3.11Å; S528-A531 PolarHBondContact O-N 2.89Å; A531-G533 VanDerWaalsContact C-N 3.32Å; A531-W534 HydrophobicContact CB-CE3 4.19Å; A531-W534 HydrophobicContact CB-CZ3 4.49Å; A531-W534 PolarHBondContact O-N 3.22Å; A531-Q535 PolarHBondContact O-N 3.45Å; A531-Q535 VanDerWaalsContact O-N 3.07Å
532	V	94.9	Very high	93.5	Very high	55 Å²	55	47.5 Å²	47.5	33%	0.333	25%	0.248	S	C	.	.	H	α-helix	trans	-63.4	-40.5	171.4	174.6	0	0	0	0	110.7	F488 S528 K529 I530 W534 Q535 T536	F488-V532 HydrophobicContact CD1-CG2 4.16Å; F488-V532 HydrophobicContact CD2-CG2 4.48Å; F488-V532 HydrophobicContact CE1-CG2 3.83Å; F488-V532 HydrophobicContact CE2-CG2 4.18Å; F488-V532 HydrophobicContact CG-CG2 4.49Å; F488-V532 HydrophobicContact CZ-CG2 3.85Å; S528-V532 WeakPolarHBondContact O-CG2 3.32Å; S528-V532 PolarHBondContact O-N 3.32Å; K529-V532 PolarHBondContact O-N 3.41Å; I530-V532 PolarHBondContact O-N 3Å; V532-W534 PolarHBondContact O-N 2.66Å; V532-Q535 WeakPolarHBondContact O-CB 3.46Å; V532-Q535 PolarHBondContact O-N 2.82Å; V532-Q535 VanDerWaalsContact O-N 3.17Å; V532-T536 PolarHBondContact O-N 2.77Å; V532-T536 PolarHBondContact O-OG1 3.43Å; V532-T536 VanDerWaalsContact O-OG1 3.1Å
533	G	95.5	Very high	93.1	Very high	21 Å²	21	53.7 Å²	53.7	22%	0.216	28%	0.281	C	S	.	.	H	α-helix	trans	-61	-41.1	175.6	0	0	0	0	0	112.8	K529 I530 A531 Q535 T536 A537	K529-G533 PolarHBondContact O-N 3.42Å; I530-G533 CarbonylContact O-C 3.59Å; I530-G533 WeakPolarHBondContact O-CA 3.26Å; I530-G533 PolarHBondContact O-N 3.4Å; A531-G533 VanDerWaalsContact C-N 3.32Å; G533-Q535 VanDerWaalsContact C-N 3.34Å; G533-T536 PolarHBondContact O-N 2.78Å; G533-A537 WeakPolarHBondContact O-CB 3.32Å; G533-A537 PolarHBondContact O-N 3.4Å
534	W	94.8	Very high	92.7	Very high	3 Å²	3	53.8 Å²	53.8	1%	0.011	28%	0.283	C	S	.	.	H	α-helix	trans	-61.1	-43.2	172	-65.2	-26.9	0	0	0	112.1	V481 F485 L489 V515 I530 A531 V532 A537 A538 L546 M551 V555	V481-W534 HydrophobicContact CG1-CH2 3.97Å; V481-W534 HydrophobicContact CG1-CZ3 4.29Å; F485-W534 HydrophobicContact CD2-CE3 4.03Å; F485-W534 AromaticContact CD2-CZ3 3.69Å; F485-W534 HydrophobicContact CD2-CZ3 3.69Å; F485-W534 HydrophobicContact CE2-CZ3 4.48Å; L489-W534 HydrophobicContact CD1-CB 4.07Å; L489-W534 HydrophobicContact CD1-CD2 4.49Å; L489-W534 HydrophobicContact CD1-CE3 3.87Å; L489-W534 HydrophobicContact CD2-CB 4.17Å; V515-W534 HydrophobicContact CB-CH2 4.48Å; V515-W534 HydrophobicContact CG1-CH2 4.06Å; V515-W534 HydrophobicContact CG1-CZ2 4.13Å; V515-W534 HydrophobicContact CG2-CH2 4.12Å; V515-W534 HydrophobicContact CG2-CZ2 3.92Å; I530-W534 HydrophobicContact CG2-CD2 4.06Å; I530-W534 VanDerWaalsContact CG2-CE2 3.47Å; I530-W534 HydrophobicContact CG2-CE3 4.47Å; I530-W534 HydrophobicContact CG2-CH2 3.89Å; I530-W534 HydrophobicContact CG2-CZ2 3.41Å; I530-W534 VanDerWaalsContact CG2-CZ2 3.41Å; I530-W534 HydrophobicContact CG2-CZ3 4.37Å; I530-W534 PolarHBondContact O-N 3.32Å; A531-W534 HydrophobicContact CB-CE3 4.19Å; A531-W534 HydrophobicContact CB-CZ3 4.49Å; A531-W534 PolarHBondContact O-N 3.22Å; V532-W534 PolarHBondContact O-N 2.66Å; W534-A537 PolarHBondContact O-N 2.79Å; W534-A538 PolarHBondContact O-N 2.87Å; W534-L546 HydrophobicContact CB-CD1 4.4Å; W534-L546 HydrophobicContact CB-CD2 3.93Å; W534-L546 WeakPolarHBondContact O-CD1 3.15Å; W534-M551 HydrophobicContact CD2-CE 3.95Å; W534-M551 HydrophobicContact CD2-CG 4.5Å; W534-M551 HydrophobicContact CE3-CE 4.13Å; W534-M551 HydrophobicContact CG-CG 4.25Å; W534-M551 HydrophobicContact CH2-CE 3.97Å; W534-M551 HydrophobicContact CZ2-CE 3.76Å; W534-M551 HydrophobicContact CZ3-CE 4.17Å; W534-M551 PolarHBondContact NE1-O 3.32Å; W534-V555 HydrophobicContact CZ2-CG2 3.66Å
535	Q	92.7	Very high	92.4	Very high	36 Å²	36	55.3 Å²	55.3	17%	0.168	29%	0.291	C	S	.	.	H	α-helix	trans	-61.8	-45	176.7	-166.2	-174	40	0	0	111.4	F488 L489 I500 A531 V532 G533 A538 Y539	F488-Q535 PolarHBondContact O-NE2 3.19Å; F488-Q535 VanDerWaalsContact O-NE2 3.1Å; L489-Q535 HydrophobicContact CD2-CB 4.16Å; I500-Q535 HydrophobicContact CD1-CG 3.56Å; A531-Q535 PolarHBondContact O-N 3.45Å; A531-Q535 VanDerWaalsContact O-N 3.07Å; V532-Q535 WeakPolarHBondContact O-CB 3.46Å; V532-Q535 PolarHBondContact O-N 2.82Å; V532-Q535 VanDerWaalsContact O-N 3.17Å; G533-Q535 VanDerWaalsContact C-N 3.34Å; Q535-A538 PolarHBondContact O-N 3.26Å; Q535-Y539 HydrophobicContact CG-CD2 3.95Å; Q535-Y539 HydrophobicContact CG-CE2 3.54Å; Q535-Y539 WeakPolarHBondContact O-CD2 3.39Å; Q535-Y539 PolarHBondContact O-N 3.44Å
536	T	92.8	Very high	92.2	Very high	76 Å²	76	47.7 Å²	47.7	47%	0.466	26%	0.262	S	S	.	.	H	α-helix	trans	-61.7	-44.7	175.2	-56.5	0	0	0	0	111.3	V532 G533 A538 Y539 S540	V532-T536 PolarHBondContact O-N 2.77Å; V532-T536 PolarHBondContact O-OG1 3.43Å; V532-T536 VanDerWaalsContact O-OG1 3.1Å; G533-T536 PolarHBondContact O-N 2.78Å; T536-A538 VanDerWaalsContact C-N 3.31Å; T536-A538 PolarHBondContact O-N 2.91Å; T536-Y539 PolarHBondContact O-N 3.17Å; T536-S540 WeakPolarHBondContact O-CB 3.45Å; T536-S540 PolarHBondContact O-N 2.96Å; T536-S540 PolarHBondContact O-OG 2.91Å; T536-S540 VanDerWaalsContact O-OG 3.08Å
537	A	93.1	Very high	92.1	Very high	19 Å²	19	49 Å²	49	16%	0.157	27%	0.272	C	S	.	.	H	α-helix	trans	-59	-44	178	0	0	0	0	0	111.2	G533 W534 S540 S541 L546 M550 V554	G533-A537 WeakPolarHBondContact O-CB 3.32Å; G533-A537 PolarHBondContact O-N 3.4Å; W534-A537 PolarHBondContact O-N 2.79Å; A537-S540 PolarHBondContact O-N 2.98Å; A537-S541 PolarHBondContact O-N 2.76Å; A537-S541 VanDerWaalsContact O-N 3.13Å; A537-L546 HydrophobicContact CB-CD1 4.21Å; A537-M550 HydrophobicContact CB-CE 3.69Å; A537-M550 WeakPolarHBondContact O-CE 3.18Å; A537-V554 HydrophobicContact CB-CG2 4.35Å
538	A	90.7	Very high	91.9	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-59.4	-48.2	175.3	0	0	0	0	0	112	I500 W534 Q535 T536 S540 S541 G544 L546	I500-A538 HydrophobicContact CG1-CB 4.36Å; I500-A538 HydrophobicContact CG2-CB 3.89Å; W534-A538 PolarHBondContact O-N 2.87Å; Q535-A538 PolarHBondContact O-N 3.26Å; T536-A538 VanDerWaalsContact C-N 3.31Å; T536-A538 PolarHBondContact O-N 2.91Å; A538-S540 VanDerWaalsContact C-N 3.25Å; A538-S540 PolarHBondContact O-N 3.48Å; A538-S541 PolarHBondContact O-N 2.93Å; A538-S541 PolarHBondContact O-OG 3.25Å; A538-G544 WeakPolarHBondContact O-CA 3.28Å; A538-L546 HydrophobicContact CB-CB 3.99Å; A538-L546 HydrophobicContact CB-CD1 4.4Å
539	Y	89	Confident	91.8	Very high	104 Å²	104	53.5 Å²	53.5	41%	0.408	30%	0.304	S	S	.	.	H	α-helix	trans	-65.9	-25.1	178	-74.1	-52.2	0	0	0	114.2	H498 I500 Q535 T536	H498-Y539 PolarHBondContact ND1-OH 3.41Å; I500-Y539 HydrophobicContact CD1-CD2 4.49Å; I500-Y539 HydrophobicContact CD1-CE1 4.05Å; I500-Y539 HydrophobicContact CD1-CE2 3.86Å; I500-Y539 HydrophobicContact CG1-CD1 4.28Å; I500-Y539 HydrophobicContact CG1-CE1 3.75Å; I500-Y539 HydrophobicContact CG1-CE2 4.45Å; Q535-Y539 HydrophobicContact CG-CD2 3.95Å; Q535-Y539 HydrophobicContact CG-CE2 3.54Å; Q535-Y539 WeakPolarHBondContact O-CD2 3.39Å; Q535-Y539 PolarHBondContact O-N 3.44Å; T536-Y539 PolarHBondContact O-N 3.17Å
540	S	90.5	Very high	91.6	Very high	97 Å²	97	50.5 Å²	50.5	68%	0.678	29%	0.292	S	S	*	.	H	α-helix	trans	-85.5	-11.2	176.9	-61.9	0	0	0	0	113.5	T536 A537 A538	T536-S540 WeakPolarHBondContact O-CB 3.45Å; T536-S540 PolarHBondContact O-N 2.96Å; T536-S540 PolarHBondContact O-OG 2.91Å; T536-S540 VanDerWaalsContact O-OG 3.08Å; A537-S540 PolarHBondContact O-N 2.98Å; A538-S540 VanDerWaalsContact C-N 3.25Å; A538-S540 PolarHBondContact O-N 3.48Å
541	S	89.7	Confident	91.5	Very high	29 Å²	29	50.3 Å²	50.3	20%	0.203	29%	0.291	C	S	.	.	S	Bend	trans	-75.9	143.2	172.8	69.4	0	0	0	0	111	A537 A538 D543 G544 V545	A537-S541 PolarHBondContact O-N 2.76Å; A537-S541 VanDerWaalsContact O-N 3.13Å; A538-S541 PolarHBondContact O-N 2.93Å; A538-S541 PolarHBondContact O-OG 3.25Å; S541-D543 PolarHBondContact O-N 3.49Å; S541-G544 PolarHBondContact O-N 3.41Å; S541-G544 WeakPolarHBondContact OG-CA 3.49Å; S541-G544 PolarHBondContact OG-N 3.29Å; S541-V545 PolarHBondContact OG-N 2.7Å; S541-V545 PolarHBondContact OG-O 3.49Å
542	E	85.7	Confident	91.6	Very high	198 Å²	198	51.9 Å²	51.9	93%	0.925	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-37.8	178.5	-63.7	-174.7	171.1	0	0	111.7
543	D	85.7	Confident	91.6	Very high	133 Å²	133	52.1 Å²	52.1	71%	0.711	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-8.5	-176.9	-57.6	-41.4	0	0	0	114	S541 V545	S541-D543 PolarHBondContact O-N 3.49Å; D543-V545 HydrophobicContact CB-CB 4.35Å; D543-V545 HydrophobicContact CB-CG2 3.84Å; D543-V545 PolarHBondContact O-N 3Å
544	G	85.9	Confident	91.6	Very high	10 Å²	10	52.6 Å²	52.6	10%	0.103	31%	0.306	C	S	.	.			trans	69	16.7	-170.6	0	0	0	0	0	114.1	H501 A538 S541	H501-G544 PolarHBondContact N-O 3.35Å; A538-G544 WeakPolarHBondContact O-CA 3.28Å; S541-G544 PolarHBondContact O-N 3.41Å; S541-G544 WeakPolarHBondContact OG-CA 3.49Å; S541-G544 PolarHBondContact OG-N 3.29Å
545	V	89.5	Confident	91.7	Very high	43 Å²	43	52.5 Å²	52.5	26%	0.261	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	123.7	-176.3	-177.6	0	0	0	0	110.9	H501 A503 S541 D543	H501-V545 HydrophobicContact CB-CG2 4.12Å; H501-V545 CarbonylContact O-C 3.58Å; H501-V545 VanDerWaalsContact O-CA 3.28Å; H501-V545 WeakPolarHBondContact O-CA 3.45Å; A503-V545 HydrophobicContact CB-CG1 4.06Å; S541-V545 PolarHBondContact OG-N 2.7Å; S541-V545 PolarHBondContact OG-O 3.49Å; D543-V545 HydrophobicContact CB-CB 4.35Å; D543-V545 HydrophobicContact CB-CG2 3.84Å; D543-V545 PolarHBondContact O-N 3Å
546	L	91.3	Very high	91.9	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	111.9	171.6	-174.6	64.1	0	0	0	109.9	L489 H501 A503 I506 W534 A537 A538 M550 M551	L489-L546 HydrophobicContact CD1-CD2 3.76Å; L489-L546 HydrophobicContact CD2-CD2 3.99Å; H501-L546 PolarHBondContact O-N 3.29Å; A503-L546 PolarHBondContact N-O 2.75Å; I506-L546 VanDerWaalsContact CD1-O 3.24Å; I506-L546 WeakPolarHBondContact CD1-O 3.49Å; W534-L546 HydrophobicContact CB-CD1 4.4Å; W534-L546 HydrophobicContact CB-CD2 3.93Å; W534-L546 WeakPolarHBondContact O-CD1 3.15Å; A537-L546 HydrophobicContact CB-CD1 4.21Å; A538-L546 HydrophobicContact CB-CB 3.99Å; A538-L546 HydrophobicContact CB-CD1 4.4Å; L546-M550 HydrophobicContact CD1-CB 4.11Å; L546-M551 HydrophobicContact CD1-CG 3.98Å; L546-M551 HydrophobicContact CD2-CG 3.8Å; L546-M551 HydrophobicContact CD2-SD 4.04Å; L546-M551 HydrophobicContact CG-CG 3.77Å; L546-M551 HydrophobicContact CG-SD 4.32Å
547	T	92.6	Very high	92.1	Very high	58 Å²	58	55.1 Å²	55.1	36%	0.356	32%	0.324	S	S	.	.			trans	-91.3	159.5	175.4	65.8	0	0	0	0	111.9	G549 M550 M551	T547-G549 VanDerWaalsContact C-N 3.33Å; T547-G549 PolarHBondContact O-N 3.14Å; T547-M550 HydrophobicContact CG2-SD 4.35Å; T547-M550 WeakPolarHBondContact O-CB 3.42Å; T547-M550 PolarHBondContact O-N 3.49Å; T547-M550 WeakPolarHBondContact OG1-CG 3.29Å; T547-M550 PolarHBondContact OG1-N 3.48Å; T547-M550 PolarHBondContact OG1-SD 3.36Å; T547-M550 VanDerWaalsContact OG1-SD 3.35Å; T547-M551 PolarHBondContact O-N 2.91Å; T547-M551 VanDerWaalsContact O-N 3.12Å
548	E	92.5	Very high	92.2	Very high	72 Å²	72	55.4 Å²	55.4	34%	0.336	33%	0.326	S	S	.	.	H	α-helix	trans	-59.5	-42.4	177.8	-174.8	170.1	-162.8	0	0	112.5	I506 K511 M550 M551 D552	I506-E548 HydrophobicContact CG1-CB 4.37Å; K511-E548 HydrophobicContact CD-CG 4.37Å; K511-E548 IonicContact NZ-OE1 3.48Å; K511-E548 PolarHBondContact NZ-OE1 3.18Å; E548-M550 VanDerWaalsContact C-N 3.3Å; E548-M550 PolarHBondContact O-N 2.78Å; E548-M551 WeakPolarHBondContact O-CA 3.45Å; E548-M551 WeakPolarHBondContact O-CB 3.34Å; E548-M551 PolarHBondContact O-N 2.89Å; E548-D552 PolarHBondContact O-N 3.09Å
549	G	92.7	Very high	92.4	Very high	50 Å²	50	57.8 Å²	57.8	52%	0.515	34%	0.339	S	S	.	.	H	α-helix	trans	-61.8	-36.2	177.8	0	0	0	0	0	113.1	T547 M551 D552 A553	T547-G549 VanDerWaalsContact C-N 3.33Å; T547-G549 PolarHBondContact O-N 3.14Å; G549-M551 VanDerWaalsContact C-N 3.34Å; G549-D552 PolarHBondContact O-N 3.46Å; G549-A553 WeakPolarHBondContact O-CB 3.35Å; G549-A553 PolarHBondContact O-N 2.76Å
550	M	93.3	Very high	92.7	Very high	51 Å²	51	55.7 Å²	55.7	25%	0.251	34%	0.343	S	S	.	.	H	α-helix	trans	-66.2	-38.6	173.3	-68.1	168.2	71.6	0	0	111.5	A537 L546 T547 E548 V554	A537-M550 HydrophobicContact CB-CE 3.69Å; A537-M550 WeakPolarHBondContact O-CE 3.18Å; L546-M550 HydrophobicContact CD1-CB 4.11Å; T547-M550 HydrophobicContact CG2-SD 4.35Å; T547-M550 WeakPolarHBondContact O-CB 3.42Å; T547-M550 PolarHBondContact O-N 3.49Å; T547-M550 WeakPolarHBondContact OG1-CG 3.29Å; T547-M550 PolarHBondContact OG1-N 3.48Å; T547-M550 PolarHBondContact OG1-SD 3.36Å; T547-M550 VanDerWaalsContact OG1-SD 3.35Å; E548-M550 VanDerWaalsContact C-N 3.3Å; E548-M550 PolarHBondContact O-N 2.78Å; M550-V554 WeakPolarHBondContact O-CG2 3.46Å; M550-V554 PolarHBondContact O-N 2.78Å
551	M	94.3	Very high	92.8	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-63.6	-44.1	176.1	-68.3	-178.5	66.2	0	0	111.9	F485 I506 K511 W534 L546 T547 E548 G549 V554 V555	F485-M551 HydrophobicContact CD2-CE 4.28Å; F485-M551 HydrophobicContact CE2-CE 3.65Å; I506-M551 HydrophobicContact CD1-SD 3.99Å; I506-M551 HydrophobicContact CG2-SD 4.33Å; K511-M551 HydrophobicContact CG-CE 3.74Å; K511-M551 HydrophobicContact CG-SD 4.39Å; W534-M551 HydrophobicContact CD2-CE 3.95Å; W534-M551 HydrophobicContact CD2-CG 4.5Å; W534-M551 HydrophobicContact CE3-CE 4.13Å; W534-M551 HydrophobicContact CG-CG 4.25Å; W534-M551 HydrophobicContact CH2-CE 3.97Å; W534-M551 HydrophobicContact CZ2-CE 3.76Å; W534-M551 HydrophobicContact CZ3-CE 4.17Å; W534-M551 PolarHBondContact NE1-O 3.32Å; L546-M551 HydrophobicContact CD1-CG 3.98Å; L546-M551 HydrophobicContact CD2-CG 3.8Å; L546-M551 HydrophobicContact CD2-SD 4.04Å; L546-M551 HydrophobicContact CG-CG 3.77Å; L546-M551 HydrophobicContact CG-SD 4.32Å; T547-M551 PolarHBondContact O-N 2.91Å; T547-M551 VanDerWaalsContact O-N 3.12Å; E548-M551 WeakPolarHBondContact O-CA 3.45Å; E548-M551 WeakPolarHBondContact O-CB 3.34Å; E548-M551 PolarHBondContact O-N 2.89Å; G549-M551 VanDerWaalsContact C-N 3.34Å; M551-V554 PolarHBondContact O-N 2.97Å; M551-V555 WeakPolarHBondContact O-CG2 3.34Å; M551-V555 PolarHBondContact O-N 3.41Å; M551-V555 VanDerWaalsContact O-N 3.14Å
552	D	95.7	Very high	92.9	Very high	34 Å²	34	51.9 Å²	51.9	18%	0.182	32%	0.317	C	S	.	.	H	α-helix	trans	-65.2	-43.4	179.7	-74.6	-36.9	0	0	0	112.3	K511 R518 E548 G549 V554 V555 D556	K511-D552 VanDerWaalsContact CE-OD1 3.25Å; K511-D552 WeakPolarHBondContact CE-OD1 3.39Å; K511-D552 IonicContact NZ-OD1 2.88Å; K511-D552 PolarHBondContact NZ-OD1 2.84Å; K511-D552 IonicContact NZ-OD2 2.83Å; K511-D552 PolarHBondContact NZ-OD2 3.09Å; R518-D552 IonicContact CZ-OD1 3.03Å; R518-D552 IonicContact NH1-OD1 3.71Å; R518-D552 PolarHBondContact NH1-OD1 3.39Å; E548-D552 PolarHBondContact O-N 3.09Å; G549-D552 PolarHBondContact O-N 3.46Å; D552-V554 VanDerWaalsContact C-N 3.29Å; D552-V554 PolarHBondContact O-N 2.86Å; D552-V555 PolarHBondContact O-N 3.33Å; D552-V555 VanDerWaalsContact O-N 3.07Å; D552-D556 PolarHBondContact O-N 3.49Å
553	A	95.8	Very high	93.2	Very high	60 Å²	60	50.7 Å²	50.7	50%	0.496	30%	0.304	S	S	.	.	H	α-helix	trans	-58.1	-40.6	176.5	0	0	0	0	0	112.5	G549 S557	G549-A553 WeakPolarHBondContact O-CB 3.35Å; G549-A553 PolarHBondContact O-N 2.76Å; A553-S557 WeakPolarHBondContact O-CB 3.16Å; A553-S557 PolarHBondContact O-N 2.94Å
554	V	96.4	Very high	93.4	Very high	32 Å²	32	48.8 Å²	48.8	19%	0.194	29%	0.291	C	S	.	.	H	α-helix	trans	-65.6	-40.9	176.1	172.4	0	0	0	0	111.2	I530 A537 M550 M551 D552 A558	I530-V554 HydrophobicContact CG2-CG1 4.31Å; A537-V554 HydrophobicContact CB-CG2 4.35Å; M550-V554 WeakPolarHBondContact O-CG2 3.46Å; M550-V554 PolarHBondContact O-N 2.78Å; M551-V554 PolarHBondContact O-N 2.97Å; D552-V554 VanDerWaalsContact C-N 3.29Å; D552-V554 PolarHBondContact O-N 2.86Å; V554-A558 WeakPolarHBondContact O-CB 3.47Å; V554-A558 PolarHBondContact O-N 3.31Å
555	V	96.7	Very high	93.5	Very high	0 Å²	0	52 Å²	52	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-66.4	-45.7	178.6	172.5	0	0	0	0	110.9	V515 R518 T519 I530 W534 M551 D552 S557 A558 I559	V515-V555 HydrophobicContact CG1-CG1 4.48Å; V515-V555 HydrophobicContact CG1-CG2 3.97Å; V515-V555 HydrophobicContact CG2-CG2 4Å; R518-V555 HydrophobicContact CB-CG1 4.46Å; T519-V555 HydrophobicContact CG2-CG1 4.48Å; I530-V555 HydrophobicContact CG2-CG2 3.8Å; W534-V555 HydrophobicContact CZ2-CG2 3.66Å; M551-V555 WeakPolarHBondContact O-CG2 3.34Å; M551-V555 PolarHBondContact O-N 3.41Å; M551-V555 VanDerWaalsContact O-N 3.14Å; D552-V555 PolarHBondContact O-N 3.33Å; D552-V555 VanDerWaalsContact O-N 3.07Å; V555-S557 PolarHBondContact O-N 3.36Å; V555-A558 WeakPolarHBondContact O-CB 3.26Å; V555-A558 PolarHBondContact O-N 3.39Å; V555-A558 VanDerWaalsContact O-N 3.16Å; V555-I559 HydrophobicContact CG1-CD1 3.76Å; V555-I559 HydrophobicContact CG1-CG1 4.46Å; V555-I559 WeakPolarHBondContact O-CG1 3.39Å; V555-I559 PolarHBondContact O-N 2.98Å
556	D	96.7	Very high	93.3	Very high	85 Å²	85	54 Å²	54	46%	0.455	31%	0.309	S	S	.	.	H	α-helix	trans	-62.4	-43.1	178.3	-73.6	-36.8	0	0	0	111.9	R518 D552 A558 I559 A560	R518-D556 IonicContact CZ-OD1 3Å; R518-D556 IonicContact NH2-OD1 2.66Å; R518-D556 PolarHBondContact NH2-OD1 3.29Å; R518-D556 IonicContact NH2-OD2 2.65Å; R518-D556 PolarHBondContact NH2-OD2 3Å; R518-D556 VanDerWaalsContact NH2-OD2 3.16Å; D552-D556 PolarHBondContact O-N 3.49Å; D556-A558 VanDerWaalsContact C-N 3.32Å; D556-A558 PolarHBondContact O-N 2.98Å; D556-I559 PolarHBondContact O-N 3.15Å; D556-A560 WeakPolarHBondContact O-CB 3.06Å; D556-A560 PolarHBondContact O-N 3.46Å
557	S	95.6	Very high	93.2	Very high	82 Å²	82	59.1 Å²	59.1	57%	0.573	33%	0.333	S	S	*	.	H	α-helix	trans	-59.6	-42.2	173.5	-177.6	0	0	0	0	111.9	A553 V555 A560 A561	A553-S557 WeakPolarHBondContact O-CB 3.16Å; A553-S557 PolarHBondContact O-N 2.94Å; V555-S557 PolarHBondContact O-N 3.36Å; S557-A560 PolarHBondContact O-N 2.73Å; S557-A561 VanDerWaalsContact O-CB 3.24Å; S557-A561 WeakPolarHBondContact O-CB 3.17Å; S557-A561 PolarHBondContact O-N 3.32Å
558	A	95.2	Very high	92.9	Very high	25 Å²	25	64.3 Å²	64.3	21%	0.207	35%	0.346	C	S	.	.	H	α-helix	trans	-66.5	-38.3	177.8	0	0	0	0	0	112.9	I530 V554 V555 D556 N562	I530-A558 HydrophobicContact CD1-CB 3.79Å; I530-A558 HydrophobicContact CG1-CB 3.5Å; V554-A558 WeakPolarHBondContact O-CB 3.47Å; V554-A558 PolarHBondContact O-N 3.31Å; V555-A558 WeakPolarHBondContact O-CB 3.26Å; V555-A558 PolarHBondContact O-N 3.39Å; V555-A558 VanDerWaalsContact O-N 3.16Å; D556-A558 VanDerWaalsContact C-N 3.32Å; D556-A558 PolarHBondContact O-N 2.98Å; A558-N562 WeakPolarHBondContact O-CB 3.47Å; A558-N562 PolarHBondContact O-N 2.76Å
559	I	95.3	Very high	92.2	Very high	51 Å²	51	69.1 Å²	69.1	26%	0.262	36%	0.361	S	S	.	.	H	α-helix	trans	-67.6	-47.8	176.1	-67.6	165.7	0	0	0	110.3	R518 V555 D556 A561 N562 R563	R518-I559 HydrophobicContact CB-CD1 3.93Å; R518-I559 WeakPolarHBondContact O-CD1 3.47Å; V555-I559 HydrophobicContact CG1-CD1 3.76Å; V555-I559 HydrophobicContact CG1-CG1 4.46Å; V555-I559 WeakPolarHBondContact O-CG1 3.39Å; V555-I559 PolarHBondContact O-N 2.98Å; D556-I559 PolarHBondContact O-N 3.15Å; I559-A561 VanDerWaalsContact C-N 3.31Å; I559-A561 PolarHBondContact O-N 2.86Å; I559-N562 PolarHBondContact O-N 3.48Å; I559-N562 VanDerWaalsContact O-N 3.12Å; I559-R563 PolarHBondContact O-N 3.48Å
560	A	94.9	Very high	91.3	Very high	59 Å²	59	74.3 Å²	74.3	49%	0.488	37%	0.371	S	S	.	.	H	α-helix	trans	-58.1	-44.7	176.3	0	0	0	0	0	111.4	D556 S557 N562 R563 Q564	D556-A560 WeakPolarHBondContact O-CB 3.06Å; D556-A560 PolarHBondContact O-N 3.46Å; S557-A560 PolarHBondContact O-N 2.73Å; A560-N562 VanDerWaalsContact C-N 3.34Å; A560-N562 PolarHBondContact O-N 2.66Å; A560-R563 PolarHBondContact O-N 2.85Å; A560-Q564 PolarHBondContact O-N 3.44Å
561	A	93.2	Very high	90.6	Very high	33 Å²	33	79.3 Å²	79.3	27%	0.273	39%	0.389	S	S	.	.	H	α-helix	trans	-65.2	-34	176.2	0	0	0	0	0	113	S557 I559 K565	S557-A561 VanDerWaalsContact O-CB 3.24Å; S557-A561 WeakPolarHBondContact O-CB 3.17Å; S557-A561 PolarHBondContact O-N 3.32Å; I559-A561 VanDerWaalsContact C-N 3.31Å; I559-A561 PolarHBondContact O-N 2.86Å; A561-K565 WeakPolarHBondContact O-CD 3.23Å; A561-K565 VanDerWaalsContact O-CG 3.22Å; A561-K565 WeakPolarHBondContact O-CG 3.46Å; A561-K565 PolarHBondContact O-N 3.17Å
562	N	91.5	Very high	88.8	Confident	14 Å²	14	90.1 Å²	90.1	8%	0.075	43%	0.429	C	S	.	.	H	α-helix	trans	-68.9	-44.5	174.7	-175.3	-90.5	0	0	0	111.1	L522 E526 A558 I559 A560 Q564 K565 Q566	L522-N562 HydrophobicContact CD1-CB 4.04Å; L522-N562 HydrophobicContact CG-CB 4.35Å; E526-N562 PolarHBondContact OE1-ND2 3.27Å; E526-N562 PolarHBondContact OE2-ND2 3.08Å; A558-N562 WeakPolarHBondContact O-CB 3.47Å; A558-N562 PolarHBondContact O-N 2.76Å; I559-N562 PolarHBondContact O-N 3.48Å; I559-N562 VanDerWaalsContact O-N 3.12Å; A560-N562 VanDerWaalsContact C-N 3.34Å; A560-N562 PolarHBondContact O-N 2.66Å; N562-Q564 PolarHBondContact O-N 3.28Å; N562-K565 WeakPolarHBondContact O-CB 3.46Å; N562-K565 PolarHBondContact O-N 3.46Å; N562-Q566 WeakPolarHBondContact O-CG 3.19Å; N562-Q566 PolarHBondContact O-N 3.46Å; N562-Q566 PolarHBondContact OD1-NE2 2.7Å
563	R	91.7	Very high	87.2	Confident	172 Å²	172	95.2 Å²	95.2	65%	0.649	46%	0.456	S	S	*	.	H	α-helix	trans	-56.8	-48.5	175.6	-176.2	178.9	176.8	163.9	4.2	111.6	I559 A560 K565 Q566 E567	I559-R563 PolarHBondContact O-N 3.48Å; A560-R563 PolarHBondContact O-N 2.85Å; R563-K565 VanDerWaalsContact C-N 3.32Å; R563-K565 PolarHBondContact O-N 3.15Å; R563-Q566 WeakPolarHBondContact O-CB 3.48Å; R563-Q566 PolarHBondContact O-N 3.12Å; R563-Q566 VanDerWaalsContact O-N 3.09Å; R563-E567 IonicContact NE-OE1 2.76Å; R563-E567 PolarHBondContact NE-OE1 3.24Å; R563-E567 WeakPolarHBondContact O-CG 3.45Å; R563-E567 PolarHBondContact O-N 3.48Å
564	Q	91.2	Very high	85.3	Confident	93 Å²	93	97.4 Å²	97.4	44%	0.435	47%	0.465	S	S	.	.	H	α-helix	trans	-59.7	-40.3	177.3	-170.9	177.3	24.8	0	0	112.5	A560 N562 Q566 E567 W568	A560-Q564 PolarHBondContact O-N 3.44Å; N562-Q564 PolarHBondContact O-N 3.28Å; Q564-Q566 VanDerWaalsContact C-N 3.35Å; Q564-Q566 PolarHBondContact O-N 3.41Å; Q564-E567 PolarHBondContact O-N 3.39Å; Q564-W568 VanDerWaalsContact CD-CZ2 3.48Å; Q564-W568 HydrophobicContact CG-CD2 4.25Å; Q564-W568 HydrophobicContact CG-CH2 4.19Å; Q564-W568 HydrophobicContact CG-CZ2 3.63Å; Q564-W568 VanDerWaalsContact NE2-CZ2 3.27Å; Q564-W568 VanDerWaalsContact O-CG 3.28Å; Q564-W568 PolarHBondContact O-N 3.2Å
565	K	87.5	Confident	83.4	Confident	78 Å²	78	102.6 Å²	102.6	34%	0.339	49%	0.492	S	S	.	.	H	α-helix	trans	-66	-35.8	175.3	-71.2	167	-165.3	155.1	0	112.8	E526 A561 N562 R563 W568 R569	E526-K565 IonicContact OE1-NZ 3.33Å; E526-K565 PolarHBondContact OE1-NZ 2.79Å; A561-K565 WeakPolarHBondContact O-CD 3.23Å; A561-K565 VanDerWaalsContact O-CG 3.22Å; A561-K565 WeakPolarHBondContact O-CG 3.46Å; A561-K565 PolarHBondContact O-N 3.17Å; N562-K565 WeakPolarHBondContact O-CB 3.46Å; N562-K565 PolarHBondContact O-N 3.46Å; R563-K565 VanDerWaalsContact C-N 3.32Å; R563-K565 PolarHBondContact O-N 3.15Å; K565-W568 PolarHBondContact O-N 3.25Å; K565-R569 WeakPolarHBondContact O-CG 3.42Å; K565-R569 PolarHBondContact O-N 3.38Å; K565-R569 VanDerWaalsContact O-N 3.08Å
566	Q	85.5	Confident	81.1	Confident	86 Å²	86	108 Å²	108	40%	0.402	54%	0.536	S	S	.	.	H	α-helix	trans	-65.9	-44.4	176	-68.8	-178	11.5	0	0	110.2	N562 R563 Q564 W568 R569 H570	N562-Q566 WeakPolarHBondContact O-CG 3.19Å; N562-Q566 PolarHBondContact O-N 3.46Å; N562-Q566 PolarHBondContact OD1-NE2 2.7Å; R563-Q566 WeakPolarHBondContact O-CB 3.48Å; R563-Q566 PolarHBondContact O-N 3.12Å; R563-Q566 VanDerWaalsContact O-N 3.09Å; Q564-Q566 VanDerWaalsContact C-N 3.35Å; Q564-Q566 PolarHBondContact O-N 3.41Å; Q566-W568 VanDerWaalsContact C-N 3.34Å; Q566-W568 PolarHBondContact O-N 3.27Å; Q566-R569 WeakPolarHBondContact O-CB 3.48Å; Q566-R569 PolarHBondContact O-N 2.7Å; Q566-R569 VanDerWaalsContact O-N 3.11Å; Q566-H570 PolarHBondContact O-CD2 3.42Å; Q566-H570 PolarHBondContact O-N 3.22Å
567	E	87.9	Confident	78.9	Confident	107 Å²	107	109.4 Å²	109.4	50%	0.5	55%	0.548	S	S	.	.	H	α-helix	trans	-56.8	-46.4	174.5	-70	168.5	-174.2	0	0	111.3	R563 Q564 R569 H570 Y571	R563-E567 IonicContact NE-OE1 2.76Å; R563-E567 PolarHBondContact NE-OE1 3.24Å; R563-E567 WeakPolarHBondContact O-CG 3.45Å; R563-E567 PolarHBondContact O-N 3.48Å; Q564-E567 PolarHBondContact O-N 3.39Å; E567-R569 VanDerWaalsContact C-N 3.31Å; E567-R569 PolarHBondContact O-N 3.11Å; E567-H570 PolarHBondContact O-N 3.25Å; E567-Y571 PolarHBondContact O-N 2.98Å
568	W	86.5	Confident	76.4	Confident	167 Å²	167	113.5 Å²	113.5	63%	0.633	56%	0.558	S	S	*	*	H	α-helix	trans	-63.7	-30.8	176.3	-65.6	-15.2	0	0	0	114.4	Q564 K565 Q566 H570	Q564-W568 VanDerWaalsContact CD-CZ2 3.48Å; Q564-W568 HydrophobicContact CG-CD2 4.25Å; Q564-W568 HydrophobicContact CG-CH2 4.19Å; Q564-W568 HydrophobicContact CG-CZ2 3.63Å; Q564-W568 VanDerWaalsContact NE2-CZ2 3.27Å; Q564-W568 VanDerWaalsContact O-CG 3.28Å; Q564-W568 PolarHBondContact O-N 3.2Å; K565-W568 PolarHBondContact O-N 3.25Å; Q566-W568 VanDerWaalsContact C-N 3.34Å; Q566-W568 PolarHBondContact O-N 3.27Å; W568-H570 VanDerWaalsContact C-N 3.34Å
569	R	77.6	Confident	74.2	Confident	172 Å²	172	117.1 Å²	117.1	65%	0.649	59%	0.588	S	S	*	*	H	α-helix	trans	-69.7	-33	175.8	-78.5	178.6	-179.2	178	3.3	112.6	K565 Q566 E567	K565-R569 WeakPolarHBondContact O-CG 3.42Å; K565-R569 PolarHBondContact O-N 3.38Å; K565-R569 VanDerWaalsContact O-N 3.08Å; Q566-R569 WeakPolarHBondContact O-CB 3.48Å; Q566-R569 PolarHBondContact O-N 2.7Å; Q566-R569 VanDerWaalsContact O-N 3.11Å; E567-R569 VanDerWaalsContact C-N 3.31Å; E567-R569 PolarHBondContact O-N 3.11Å
570	H	75.2	Confident	72.2	Confident	160 Å²	160	120.1 Å²	120.1	74%	0.741	61%	0.608	S	S	*	*	H	α-helix	trans	-87.2	-17	178.7	-69.2	-66.6	0	0	0	112.9	Q566 E567 W568 R572	Q566-H570 PolarHBondContact O-CD2 3.42Å; Q566-H570 PolarHBondContact O-N 3.22Å; E567-H570 PolarHBondContact O-N 3.25Å; W568-H570 VanDerWaalsContact C-N 3.34Å; H570-R572 PolarHBondContact O-N 3.42Å
571	Y	77.7	Confident	70.2	Confident	156 Å²	156	123 Å²	123	61%	0.612	62%	0.622	S	S	*	*			trans	-61.9	104.1	176.2	-168.6	-95.5	0	0	0	110.7	E567 L573	E567-Y571 PolarHBondContact O-N 2.98Å; Y571-L573 HydrophobicContact CE1-CD2 4.42Å
572	R	57.4	Low	68.2	Low	226 Å²	226	132.2 Å²	132.2	85%	0.853	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-89.3	135.5	159.6	-68.9	-170	-157.2	167	7.3	107.7	H570	H570-R572 PolarHBondContact O-N 3.42Å
573	L	62.3	Low	67	Low	141 Å²	141	138.2 Å²	138.2	74%	0.738	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-53.5	135.8	165.3	-75.6	151.4	0	0	0	108.1	Y571 D575	Y571-L573 HydrophobicContact CE1-CD2 4.42Å; L573-D575 PolarHBondContact O-N 3.23Å
574	P	55.9	Low	65.7	Low	106 Å²	106	136.4 Å²	136.4	69%	0.688	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-53.9	130.2	168.9	-18.4	29.4	0	0	0	108.1	A576	P574-A576 PolarHBondContact O-N 3Å
575	D	55.5	Low	64.3	Low	142 Å²	142	138.8 Å²	138.8	76%	0.759	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-55.5	133	171	-70.4	-39.2	0	0	0	107.5	L573 V577	L573-D575 PolarHBondContact O-N 3.23Å; D575-V577 HydrophobicContact CB-CG2 3.96Å; D575-V577 PolarHBondContact O-N 3.22Å
576	A	48.9	Very low	62.9	Low	112 Å²	112	142.4 Å²	142.4	93%	0.926	74%	0.735	S	S	*	*			trans	-65.9	81.4	174.7	0	0	0	0	0	109.4	P574	P574-A576 PolarHBondContact O-N 3Å
577	V	49.8	Very low	61.5	Low	116 Å²	116	145.9 Å²	145.9	70%	0.703	76%	0.756	S	S	*	*			trans	-121.5	106.8	171	-174.2	0	0	0	0	101.5	D575	D575-V577 HydrophobicContact CB-CG2 3.96Å; D575-V577 PolarHBondContact O-N 3.22Å
578	E	44.2	Very low	59.8	Low	167 Å²	167	148.5 Å²	148.5	78%	0.78	77%	0.773	S	S	*	*			cis	-143.5	125.6	47.3	-67.2	163.4	151.3	0	0	109	V580	E578-V580 PolarHBondContact O-N 3.45Å
579	A	48.4	Very low	57.9	Low	101 Å²	101	147.1 Å²	147.1	84%	0.835	78%	0.783	S	S	*	*			trans	-64.1	105.6	154.6	0	0	0	0	0	106.4
580	V	53.4	Low	56.3	Low	114 Å²	114	145.2 Å²	145.2	69%	0.691	79%	0.794	S	S	*	*			trans	-54.4	123.7	171.8	179.6	0	0	0	0	107.9	E578 N582	E578-V580 PolarHBondContact O-N 3.45Å; V580-N582 PolarHBondContact O-N 2.98Å
581	P	52.3	Low	54.8	Low	119 Å²	119	144 Å²	144	77%	0.773	80%	0.798	S	S	*	*			trans	-73.8	119.7	169.5	29.9	-28	0	0	0	107.8
582	N	51.7	Low	52.7	Low	228 Å²	228	142.9 Å²	142.9	100%	1.219	82%	0.815	S	S	*	*			trans	-134	0	157.8	-98	-10.5	0	0	0	108.4	V580	V580-N582 PolarHBondContact O-N 2.98Å

Retrieved 582 of 582 residues in 209.3 ms (Link to these results)

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