A0A3Q0KST5_SCHMA Loading...

Proline dehydrogenase

Converts proline to delta-1-pyrroline-5-carboxylate.

AlphaFold DB (A0A5K4EWI8), UniProt , Accession A0A3Q0KST5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 605 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	42.7	Very low	44.8	Very low	237 Å²	237	116.8 Å²	116.8	100%	1.167	64%	0.636	S	S	*	*				0	124.6	0	-74.8	175.1	172.4	0	0	108.1	L3	M1-L3 PolarHBondContact O-N 3.05Å
2	S	38.2	Very low	44.6	Very low	100 Å²	100	115.2 Å²	115.2	70%	0.699	63%	0.627	S	S	*	*			trans	-58.7	123.3	-178.8	172.3	0	0	0	0	110.6	S4 P5	S2-S4 PolarHBondContact O-N 3.34Å; S2-S4 VanDerWaalsContact O-N 3.14Å; S2-P5 WeakPolarHBondContact O-CD 3.43Å
3	L	41.1	Very low	44.3	Very low	127 Å²	127	113.1 Å²	113.1	67%	0.665	61%	0.614	S	S	*	*			trans	-76.1	12.9	-177.7	-73.7	163.1	0	0	0	113.5	M1 P5 L6 R7	M1-L3 PolarHBondContact O-N 3.05Å; L3-P5 VanDerWaalsContact C-CD 3.42Å; L3-L6 PolarHBondContact O-N 3.29Å; L3-R7 PolarHBondContact O-N 3.3Å
4	S	48.7	Very low	44.1	Very low	78 Å²	78	116.1 Å²	116.1	55%	0.545	62%	0.622	S	S	.	*	H	α-helix	trans	-61.4	-36	-180	80.3	0	0	0	0	114.5	S2 L6 R7 S8	S2-S4 PolarHBondContact O-N 3.34Å; S2-S4 VanDerWaalsContact O-N 3.14Å; S4-L6 VanDerWaalsContact C-N 3.3Å; S4-L6 PolarHBondContact O-N 3.42Å; S4-R7 PolarHBondContact O-N 3.32Å; S4-S8 PolarHBondContact O-N 3.23Å
5	P	45.4	Very low	43.8	Very low	88 Å²	88	120.3 Å²	120.3	57%	0.571	63%	0.632	S	S	*	*	H	α-helix	trans	-66.1	-34.9	178.6	-18.8	32	0	0	0	112	S2 L3 R7 S8 L9	S2-P5 WeakPolarHBondContact O-CD 3.43Å; L3-P5 VanDerWaalsContact C-CD 3.42Å; P5-R7 PolarHBondContact O-N 2.86Å; P5-S8 PolarHBondContact O-N 3.15Å; P5-L9 PolarHBondContact O-N 3.3Å
6	L	42.2	Very low	43.5	Very low	110 Å²	110	118.7 Å²	118.7	58%	0.576	62%	0.624	S	S	*	*	H	α-helix	trans	-68.9	-35.6	-178.7	-137.7	85.8	0	0	0	111.9	L3 S4 L9 L10	L3-L6 PolarHBondContact O-N 3.29Å; S4-L6 VanDerWaalsContact C-N 3.3Å; S4-L6 PolarHBondContact O-N 3.42Å; L6-L9 PolarHBondContact O-N 3.2Å; L6-L10 WeakPolarHBondContact O-CG 3.47Å; L6-L10 PolarHBondContact O-N 2.81Å; L6-L10 VanDerWaalsContact O-N 3.13Å
7	R	47.4	Very low	42.9	Very low	200 Å²	200	117.8 Å²	117.8	76%	0.755	63%	0.626	S	S	*	*	H	α-helix	trans	-68.6	-36.5	176	-78.5	-173.3	175.6	-171	-0.7	112.5	L3 S4 P5 L10 S11	L3-R7 PolarHBondContact O-N 3.3Å; S4-R7 PolarHBondContact O-N 3.32Å; P5-R7 PolarHBondContact O-N 2.86Å; R7-L10 PolarHBondContact O-N 2.92Å; R7-S11 PolarHBondContact O-N 3.44Å; R7-S11 PolarHBondContact O-OG 2.78Å
8	S	45.6	Very low	42.9	Very low	64 Å²	64	118.9 Å²	118.9	45%	0.448	63%	0.632	S	S	.	*	H	α-helix	trans	-65.3	-38.6	174.8	166.5	0	0	0	0	112.1	S4 P5 S11 N12	S4-S8 PolarHBondContact O-N 3.23Å; P5-S8 PolarHBondContact O-N 3.15Å; S8-S11 PolarHBondContact O-OG 2.94Å; S8-S11 VanDerWaalsContact O-OG 3.1Å; S8-N12 PolarHBondContact O-N 2.92Å; S8-N12 PolarHBondContact O-ND2 3.33Å
9	L	44.4	Very low	42.6	Very low	119 Å²	119	118.1 Å²	118.1	62%	0.623	64%	0.644	S	S	*	*	H	α-helix	trans	-67.1	-41.8	177.5	-141.9	92.4	0	0	0	111.4	P5 L6 N12 L13	P5-L9 PolarHBondContact O-N 3.3Å; L6-L9 PolarHBondContact O-N 3.2Å; L9-N12 PolarHBondContact O-N 3.45Å; L9-L13 WeakPolarHBondContact O-CG 3.29Å; L9-L13 PolarHBondContact O-N 3.49Å
10	L	48.5	Very low	42.5	Very low	104 Å²	104	114.6 Å²	114.6	55%	0.545	63%	0.628	S	S	.	*	H	α-helix	trans	-69.5	-35.7	179.9	-74.7	166.4	0	0	0	113.2	L6 R7 N12 L13	L6-L10 WeakPolarHBondContact O-CG 3.47Å; L6-L10 PolarHBondContact O-N 2.81Å; L6-L10 VanDerWaalsContact O-N 3.13Å; R7-L10 PolarHBondContact O-N 2.92Å; L10-N12 VanDerWaalsContact C-N 3.34Å; L10-L13 HydrophobicContact CD2-CD1 4.49Å; L10-L13 PolarHBondContact O-N 2.92Å
11	S	48.6	Very low	42.4	Very low	58 Å²	58	116.6 Å²	116.6	41%	0.406	63%	0.626	S	S	.	*	H	α-helix	trans	-69.8	-32.6	176.1	67.5	0	0	0	0	112.4	R7 S8 L13 Q14	R7-S11 PolarHBondContact O-N 3.44Å; R7-S11 PolarHBondContact O-OG 2.78Å; S8-S11 PolarHBondContact O-OG 2.94Å; S8-S11 VanDerWaalsContact O-OG 3.1Å; S11-L13 VanDerWaalsContact C-N 3.35Å; S11-Q14 PolarHBondContact O-N 3.41Å
12	N	42.9	Very low	42.5	Very low	97 Å²	97	110 Å²	110	52%	0.519	60%	0.603	S	S	.	*	H	α-helix	trans	-69.7	-32.1	174.9	-77.5	-28.6	0	0	0	112.5	S8 L9 L10 Q14 K15	S8-N12 PolarHBondContact O-N 2.92Å; S8-N12 PolarHBondContact O-ND2 3.33Å; L9-N12 PolarHBondContact O-N 3.45Å; L10-N12 VanDerWaalsContact C-N 3.34Å; N12-Q14 VanDerWaalsContact C-N 3.27Å; N12-Q14 PolarHBondContact O-N 2.87Å; N12-K15 PolarHBondContact O-N 3.48Å
13	L	39.9	Very low	42.4	Very low	88 Å²	88	109.2 Å²	109.2	46%	0.461	60%	0.597	S	S	.	*	H	α-helix	trans	-69.2	-21.4	177.4	-74.1	165.2	0	0	0	113.6	L9 L10 S11 K15 L16	L9-L13 WeakPolarHBondContact O-CG 3.29Å; L9-L13 PolarHBondContact O-N 3.49Å; L10-L13 HydrophobicContact CD2-CD1 4.49Å; L10-L13 PolarHBondContact O-N 2.92Å; S11-L13 VanDerWaalsContact C-N 3.35Å; L13-K15 VanDerWaalsContact C-N 3.29Å; L13-K15 PolarHBondContact O-N 2.99Å; L13-L16 HydrophobicContact CD2-CD1 4.46Å
14	Q	42.1	Very low	42.5	Very low	156 Å²	156	107.2 Å²	107.2	73%	0.729	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.3	-12.6	177.5	-75	-176	-28	0	0	114.4	S11 N12 L16	S11-Q14 PolarHBondContact O-N 3.41Å; N12-Q14 VanDerWaalsContact C-N 3.27Å; N12-Q14 PolarHBondContact O-N 2.87Å; Q14-L16 VanDerWaalsContact C-N 3.34Å
15	K	38.7	Very low	42.3	Very low	178 Å²	178	107.6 Å²	107.6	77%	0.774	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.3	4.1	-178.1	-67.3	-174.1	179.5	179.6	0	114.3	N12 L13	N12-K15 PolarHBondContact O-N 3.48Å; L13-K15 VanDerWaalsContact C-N 3.29Å; L13-K15 PolarHBondContact O-N 2.99Å
16	L	39.9	Very low	41.9	Very low	95 Å²	95	110.3 Å²	110.3	50%	0.497	59%	0.594	S	S	.	*	S	Bend	trans	-88.4	143.3	-178.6	-74.2	164.1	0	0	0	112.7	L13 Q14	L13-L16 HydrophobicContact CD2-CD1 4.46Å; Q14-L16 VanDerWaalsContact C-N 3.34Å
17	P	33.7	Very low	41.5	Very low	103 Å²	103	109 Å²	109	67%	0.669	59%	0.593	S	S	*	*			trans	-62.7	151.6	-173.8	2.4	-2.9	0	0	0	114.3	A19 S20	P17-A19 PolarHBondContact O-N 3.25Å; P17-S20 PolarHBondContact O-N 2.9Å; P17-S20 VanDerWaalsContact O-N 3.1Å; P17-S20 PolarHBondContact O-OG 2.93Å; P17-S20 VanDerWaalsContact O-OG 3.07Å
18	L	42.1	Very low	41.1	Very low	139 Å²	139	106.2 Å²	106.2	73%	0.728	59%	0.588	S	S	*	*	G	3₁₀ helix	trans	-44.4	-26	-166.3	-83.2	138.3	0	0	0	117.5	S20 R21	L18-S20 PolarHBondContact O-N 3.46Å; L18-R21 PolarHBondContact O-N 3.22Å
19	A	38	Very low	40.6	Very low	103 Å²	103	110.8 Å²	110.8	85%	0.851	60%	0.601	S	S	*	*	G	3₁₀ helix	trans	-65.5	-21.1	178.4	0	0	0	0	0	113.7	P17	P17-A19 PolarHBondContact O-N 3.25Å
20	S	40.4	Very low	40	Very low	47 Å²	47	111.6 Å²	111.6	33%	0.329	60%	0.603	S	S	.	*	G	3₁₀ helix	trans	-88.4	-6.9	179.9	62.4	0	0	0	0	114.8	P17 L18 S22	P17-S20 PolarHBondContact O-N 2.9Å; P17-S20 VanDerWaalsContact O-N 3.1Å; P17-S20 PolarHBondContact O-OG 2.93Å; P17-S20 VanDerWaalsContact O-OG 3.07Å; L18-S20 PolarHBondContact O-N 3.46Å; S20-S22 PolarHBondContact O-N 3.24Å
21	R	40.9	Very low	39.3	Very low	158 Å²	158	113 Å²	113	60%	0.596	61%	0.61	S	S	*	*	H	α-helix	trans	-72.6	-25.4	-177	-71	-173.8	178.4	-172.6	-1	114	L18 C23 I24	L18-R21 PolarHBondContact O-N 3.22Å; R21-C23 VanDerWaalsContact C-N 3.29Å; R21-C23 PolarHBondContact O-N 2.78Å; R21-I24 PolarHBondContact O-N 2.82Å
22	S	43.3	Very low	38.5	Very low	98 Å²	98	113.7 Å²	113.7	69%	0.685	62%	0.615	S	S	*	*	H	α-helix	trans	-63.8	-34.3	178.2	170.7	0	0	0	0	112.4	S20	S20-S22 PolarHBondContact O-N 3.24Å
23	C	37.4	Very low	37.9	Very low	84 Å²	84	113 Å²	113	57%	0.568	62%	0.618	S	S	*	*	H	α-helix	trans	-76.5	-25.3	-177.8	-134.1	0	0	0	0	113	R21 Q26 C27	R21-C23 VanDerWaalsContact C-N 3.29Å; R21-C23 PolarHBondContact O-N 2.78Å; C23-Q26 PolarHBondContact O-N 3.35Å; C23-C27 PolarHBondContact O-N 2.95Å
24	I	42.3	Very low	37.5	Very low	84 Å²	84	115.8 Å²	115.8	43%	0.431	63%	0.632	S	S	.	*	H	α-helix	trans	-73.9	-33.2	-176.4	-62.3	173.6	0	0	0	111.7	R21 Q26 C27 Q28	R21-I24 PolarHBondContact O-N 2.82Å; I24-Q26 VanDerWaalsContact C-N 3.33Å; I24-Q26 PolarHBondContact O-N 2.97Å; I24-C27 PolarHBondContact O-N 3.28Å; I24-Q28 PolarHBondContact O-N 2.79Å
25	S	43.8	Very low	36.9	Very low	87 Å²	87	113.2 Å²	113.2	61%	0.608	63%	0.631	S	S	*	*	H	α-helix	trans	-61.9	-40.1	175.9	175.5	0	0	0	0	112.1	C27 Q28 F29	S25-C27 PolarHBondContact O-N 3.37Å; S25-Q28 PolarHBondContact O-N 3Å; S25-F29 PolarHBondContact O-N 3.38Å
26	Q	38.9	Very low	36.5	Very low	145 Å²	145	108 Å²	108	68%	0.678	63%	0.628	S	S	*	*	H	α-helix	trans	-67.8	-35.1	177.1	-89.9	177.7	-12.7	0	0	112.9	C23 I24 F29 M30	C23-Q26 PolarHBondContact O-N 3.35Å; I24-Q26 VanDerWaalsContact C-N 3.33Å; I24-Q26 PolarHBondContact O-N 2.97Å; Q26-F29 PolarHBondContact O-N 3.44Å; Q26-M30 PolarHBondContact O-N 3.31Å
27	C	33.2	Very low	35.9	Very low	81 Å²	81	113 Å²	113	55%	0.547	65%	0.646	S	S	.	*	H	α-helix	trans	-71.2	-32.6	178	-78.2	0	0	0	0	113.5	C23 I24 S25 M30 L31	C23-C27 PolarHBondContact O-N 2.95Å; I24-C27 PolarHBondContact O-N 3.28Å; S25-C27 PolarHBondContact O-N 3.37Å; C27-M30 PolarHBondContact O-N 3.22Å; C27-L31 PolarHBondContact O-N 3.06Å
28	Q	39.1	Very low	35.7	Very low	142 Å²	142	116.4 Å²	116.4	66%	0.664	65%	0.653	S	S	*	*	H	α-helix	trans	-70.8	-32.6	175.7	-87.5	-178.8	-32.1	0	0	112.8	I24 S25 M30 L31 S32	I24-Q28 PolarHBondContact O-N 2.79Å; S25-Q28 PolarHBondContact O-N 3Å; Q28-M30 VanDerWaalsContact C-N 3.34Å; Q28-L31 PolarHBondContact O-N 3.47Å; Q28-S32 PolarHBondContact O-N 2.85Å
29	F	34.9	Very low	34.8	Very low	161 Å²	161	117.9 Å²	117.9	71%	0.706	66%	0.662	S	S	*	*	H	α-helix	trans	-69.3	-32.5	176.1	-163.2	-96.3	0	0	0	112.6	S25 Q26 S32	S25-F29 PolarHBondContact O-N 3.38Å; Q26-F29 PolarHBondContact O-N 3.44Å; F29-S32 PolarHBondContact O-OG 3.27Å
30	M	31.5	Very low	34.3	Very low	136 Å²	136	119.6 Å²	119.6	67%	0.67	66%	0.655	S	S	*	*	H	α-helix	trans	-69.6	-30.6	175.8	-76.7	-88	-79.8	0	0	113.1	Q26 C27 Q28 S33	Q26-M30 PolarHBondContact O-N 3.31Å; C27-M30 PolarHBondContact O-N 3.22Å; Q28-M30 VanDerWaalsContact C-N 3.34Å; M30-S33 PolarHBondContact O-OG 2.94Å
31	L	32.8	Very low	33.6	Very low	132 Å²	132	122.2 Å²	122.2	69%	0.691	68%	0.68	S	S	*	*	H	α-helix	trans	-81.6	-25.9	-178.3	-79.4	162.1	0	0	0	113.4	C27 Q28	C27-L31 PolarHBondContact O-N 3.06Å; Q28-L31 PolarHBondContact O-N 3.47Å
32	S	31.9	Very low	33	Very low	73 Å²	73	120.6 Å²	120.6	51%	0.51	69%	0.687	S	S	.	*	H	α-helix	trans	-78.9	-26.2	177.2	58.1	0	0	0	0	113.4	Q28 F29 L34 S35	Q28-S32 PolarHBondContact O-N 2.85Å; F29-S32 PolarHBondContact O-OG 3.27Å; S32-L34 VanDerWaalsContact C-N 3.28Å; S32-L34 PolarHBondContact O-N 3Å; S32-S35 PolarHBondContact O-OG 3.21Å
33	S	31.6	Very low	32.2	Very low	83 Å²	83	122 Å²	122	58%	0.58	69%	0.692	S	S	*	*	G	3₁₀ helix	trans	-74.2	-14.2	-178	76.8	0	0	0	0	114.4	M30 S35	M30-S33 PolarHBondContact O-OG 2.94Å; S33-S35 VanDerWaalsContact C-N 3.29Å; S33-S35 PolarHBondContact O-N 3.43Å
34	L	30.8	Very low	31.8	Very low	147 Å²	147	123.1 Å²	123.1	77%	0.77	70%	0.7	S	S	*	*	G	3₁₀ helix	trans	-84.4	8.5	-177.9	-78.3	159.9	0	0	0	114.6	S32	S32-L34 VanDerWaalsContact C-N 3.28Å; S32-L34 PolarHBondContact O-N 3Å
35	S	29.3	Very low	31.3	Very low	101 Å²	101	126.9 Å²	126.9	71%	0.706	72%	0.721	S	S	*	*	G	3₁₀ helix	trans	-100.6	5.4	179.8	63.5	0	0	0	0	115.4	S32 S33 K37	S32-S35 PolarHBondContact O-OG 3.21Å; S33-S35 VanDerWaalsContact C-N 3.29Å; S33-S35 PolarHBondContact O-N 3.43Å; S35-K37 PolarHBondContact O-N 2.97Å; S35-K37 VanDerWaalsContact O-N 3.11Å
36	G	30.3	Very low	30.8	Very low	69 Å²	69	129.9 Å²	129.9	71%	0.711	73%	0.73	S	S	*	*			trans	-79.6	89.1	178.8	0	0	0	0	0	113.6	Q38	G36-Q38 PolarHBondContact O-N 3.42Å
37	K	26.7	Very low	30.3	Very low	199 Å²	199	131.6 Å²	131.6	87%	0.865	74%	0.738	S	S	*	*			trans	-61.5	109.3	165.7	-71.1	177	176.7	178.1	0	110.1	S35	S35-K37 PolarHBondContact O-N 2.97Å; S35-K37 VanDerWaalsContact O-N 3.11Å
38	Q	29.9	Very low	30.4	Very low	175 Å²	175	133.2 Å²	133.2	82%	0.818	75%	0.747	S	S	*	*			trans	-131.2	111	155.9	-78.6	-170.3	-11.7	0	0	109.5	G36 I40	G36-Q38 PolarHBondContact O-N 3.42Å; Q38-I40 PolarHBondContact O-N 3.43Å; Q38-I40 VanDerWaalsContact O-N 3.14Å
39	N	23.9	Very low	30	Very low	170 Å²	170	132.3 Å²	132.3	91%	0.909	75%	0.752	S	S	*	*			trans	-63.2	104.7	174.6	-70.5	-29.8	0	0	0	109.2
40	I	28.2	Very low	29.9	Very low	140 Å²	140	132.3 Å²	132.3	72%	0.718	76%	0.759	S	S	*	*			trans	-104.5	111	162.9	-61.7	176.4	0	0	0	106.3	Q38 V42	Q38-I40 PolarHBondContact O-N 3.43Å; Q38-I40 VanDerWaalsContact O-N 3.14Å; I40-V42 HydrophobicContact CG2-CG2 4.34Å; I40-V42 PolarHBondContact O-N 2.92Å
41	A	24.8	Very low	30	Very low	102 Å²	102	129.3 Å²	129.3	84%	0.843	75%	0.751	S	S	*	*			trans	-65.2	96.2	175	0	0	0	0	0	109.2
42	V	28	Very low	30.3	Very low	123 Å²	123	126.4 Å²	126.4	75%	0.745	74%	0.741	S	S	*	*			trans	-90.2	108.1	167.5	-179.7	0	0	0	0	106.6	I40 S44	I40-V42 HydrophobicContact CG2-CG2 4.34Å; I40-V42 PolarHBondContact O-N 2.92Å; V42-S44 PolarHBondContact O-N 3.47Å
43	T	27.8	Very low	30.6	Very low	129 Å²	129	127.1 Å²	127.1	79%	0.791	74%	0.743	S	S	*	*			trans	-52.5	124.6	168.2	11.3	0	0	0	0	109.1	L45	T43-L45 PolarHBondContact O-N 3.11Å
44	S	27.9	Very low	31.3	Very low	106 Å²	106	128.2 Å²	128.2	74%	0.741	75%	0.746	S	S	*	*			trans	-53.7	106.3	-179.3	50.4	0	0	0	0	111.2	V42	V42-S44 PolarHBondContact O-N 3.47Å
45	L	32.9	Very low	32.4	Very low	164 Å²	164	126.7 Å²	126.7	86%	0.859	74%	0.735	S	S	*	*			trans	-79.7	115.5	154.2	-72.9	167.2	0	0	0	105.7	T43 E47	T43-L45 PolarHBondContact O-N 3.11Å; L45-E47 PolarHBondContact O-N 2.71Å
46	D	33.4	Very low	34.1	Very low	149 Å²	149	130.1 Å²	130.1	80%	0.797	75%	0.746	S	S	*	*			trans	-43.9	124.9	179.5	-66.3	-43.2	0	0	0	111.1	P48	D46-P48 VanDerWaalsContact O-CD 3.31Å; D46-P48 WeakPolarHBondContact O-CD 3.34Å
47	E	28.1	Very low	36.2	Very low	181 Å²	181	129.1 Å²	129.1	85%	0.846	72%	0.722	S	S	*	*			trans	-59.1	118.9	175	-75.1	-173.5	151.7	0	0	109.3	L45 T49	L45-E47 PolarHBondContact O-N 2.71Å; E47-T49 PolarHBondContact O-N 2.77Å
48	P	35.2	Very low	39.1	Very low	116 Å²	116	122.9 Å²	122.9	75%	0.753	70%	0.703	S	S	*	*			trans	-72.4	108	173.7	-1.7	16.2	0	0	0	107.9	D46 N50	D46-P48 VanDerWaalsContact O-CD 3.31Å; D46-P48 WeakPolarHBondContact O-CD 3.34Å; P48-N50 PolarHBondContact O-N 3.37Å
49	T	29.5	Very low	42.1	Very low	123 Å²	123	114.7 Å²	114.7	76%	0.755	67%	0.665	S	S	*	*			trans	-42.3	126.9	171.9	42.8	0	0	0	0	111.7	E47 S51	E47-T49 PolarHBondContact O-N 2.77Å; T49-S51 PolarHBondContact O-N 2.63Å
50	N	33.7	Very low	45.4	Very low	160 Å²	160	111.6 Å²	111.6	86%	0.856	64%	0.64	S	S	*	*	S	Bend	trans	-55.1	96.3	169.9	-94.5	-17.6	0	0	0	110.4	P48	P48-N50 PolarHBondContact O-N 3.37Å
51	S	34.1	Very low	48.4	Very low	73 Å²	73	108.3 Å²	108.3	51%	0.51	62%	0.624	S	S	.	*			trans	-147.1	125.5	155.2	57.2	0	0	0	0	106.9	T49 T53	T49-S51 PolarHBondContact O-N 2.63Å; S51-T53 PolarHBondContact O-N 3.17Å; S51-T53 PolarHBondContact O-OG1 3.19Å
52	C	37.5	Very low	51.6	Low	72 Å²	72	104.4 Å²	104.4	49%	0.486	59%	0.591	S	S	.	*			trans	-69.8	63.8	167.3	-160.1	0	0	0	0	107.4	T54 H517	C52-T54 PolarHBondContact O-N 3.12Å; C52-H517 PolarHBondContact O-CD2 3.44Å; C52-H517 PolarHBondContact O-NE2 2.92Å
53	T	40	Very low	54.7	Low	87 Å²	87	104.6 Å²	104.6	53%	0.534	58%	0.581	S	S	.	*			trans	-63.3	128.6	170.8	33	0	0	0	0	105.8	S51 Q55	S51-T53 PolarHBondContact O-N 3.17Å; S51-T53 PolarHBondContact O-OG1 3.19Å; T53-Q55 PolarHBondContact O-N 2.98Å
54	T	45.6	Very low	57.8	Low	107 Å²	107	100.7 Å²	100.7	66%	0.656	56%	0.556	S	S	*	*			trans	-54.8	86.2	160.5	37.4	0	0	0	0	106.6	C52 N56	C52-T54 PolarHBondContact O-N 3.12Å; T54-N56 VanDerWaalsContact C-N 3.32Å; T54-N56 PolarHBondContact O-N 3.36Å
55	Q	52.9	Low	60.8	Low	115 Å²	115	95.7 Å²	95.7	54%	0.537	52%	0.52	S	S	.	.			trans	-60.3	107.5	174.4	-77.1	-166.6	-8.2	0	0	104.8	T53 F57	T53-Q55 PolarHBondContact O-N 2.98Å; Q55-F57 HydrophobicContact CB-CD1 3.75Å; Q55-F57 HydrophobicContact CB-CE1 4.3Å; Q55-F57 WeakPolarHBondContact O-CD1 3.22Å; Q55-F57 PolarHBondContact O-N 3.17Å
56	N	64.7	Low	63.7	Low	173 Å²	173	88 Å²	88	93%	0.925	48%	0.48	S	S	*	.			trans	-76.5	64.8	179.9	-155.8	5.2	0	0	0	107.1	T54	T54-N56 VanDerWaalsContact C-N 3.32Å; T54-N56 PolarHBondContact O-N 3.36Å
57	F	75.8	Confident	66.6	Low	48 Å²	48	81.9 Å²	81.9	21%	0.211	45%	0.45	C	S	.	.			trans	-81.6	140.4	176.7	54.7	-101.4	0	0	0	109.4	Q55 F59 L513 T543 L544 A547 Y549	Q55-F57 HydrophobicContact CB-CD1 3.75Å; Q55-F57 HydrophobicContact CB-CE1 4.3Å; Q55-F57 WeakPolarHBondContact O-CD1 3.22Å; Q55-F57 PolarHBondContact O-N 3.17Å; F57-F59 HydrophobicContact CD2-CD1 4.48Å; F57-F59 HydrophobicContact CD2-CE1 4.08Å; F57-F59 HydrophobicContact CD2-CZ 4.47Å; F57-F59 HydrophobicContact CE2-CD1 4.41Å; F57-F59 AromaticContact CE2-CE1 3.59Å; F57-F59 HydrophobicContact CE2-CE1 3.59Å; F57-F59 AromaticContact CE2-CZ 3.73Å; F57-F59 HydrophobicContact CE2-CZ 3.73Å; F57-L513 HydrophobicContact CE2-CD1 4.11Å; F57-L513 HydrophobicContact CZ-CD1 3.71Å; F57-L513 HydrophobicContact CZ-CD2 4.5Å; F57-T543 HydrophobicContact CB-CG2 4.13Å; F57-T543 HydrophobicContact CD2-CG2 3.4Å; F57-T543 VanDerWaalsContact CD2-CG2 3.4Å; F57-T543 HydrophobicContact CE2-CG2 4.13Å; F57-T543 HydrophobicContact CG-CG2 4.05Å; F57-L544 HydrophobicContact CE2-CD2 4.03Å; F57-L544 HydrophobicContact CZ-CD2 3.92Å; F57-A547 HydrophobicContact CD1-CB 3.62Å; F57-A547 HydrophobicContact CE1-CB 3.55Å; F57-A547 HydrophobicContact CG-CB 4.29Å; F57-A547 HydrophobicContact CZ-CB 4.11Å; F57-Y549 AromaticContact CE1-CE2 3.81Å; F57-Y549 HydrophobicContact CE1-CE2 3.81Å; F57-Y549 HydrophobicContact CZ-CD2 4.47Å; F57-Y549 AromaticContact CZ-CE2 3.91Å; F57-Y549 HydrophobicContact CZ-CE2 3.91Å
58	S	88.2	Confident	69.7	Low	68 Å²	68	73.4 Å²	73.4	48%	0.476	41%	0.411	S	S	.	.			trans	-95.8	125.3	-178.6	-178.7	0	0	0	0	110.7	R60 D61	S58-R60 PolarHBondContact O-N 3.29Å; S58-R60 WeakPolarHBondContact OG-CB 3.44Å; S58-R60 PolarHBondContact OG-N 3.3Å; S58-R60 VanDerWaalsContact OG-N 3.11Å; S58-D61 PolarHBondContact O-N 2.99Å
59	F	92	Very high	72.5	Confident	2 Å²	2	69 Å²	69	1%	0.009	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	8.1	166.5	-62.7	-49.5	0	0	0	113.5	F57 E506 V509 R510 L513 Q539 I540 T543 L544	F57-F59 HydrophobicContact CD2-CD1 4.48Å; F57-F59 HydrophobicContact CD2-CE1 4.08Å; F57-F59 HydrophobicContact CD2-CZ 4.47Å; F57-F59 HydrophobicContact CE2-CD1 4.41Å; F57-F59 AromaticContact CE2-CE1 3.59Å; F57-F59 HydrophobicContact CE2-CE1 3.59Å; F57-F59 AromaticContact CE2-CZ 3.73Å; F57-F59 HydrophobicContact CE2-CZ 3.73Å; F59-E506 HydrophobicContact CB-CG 4.43Å; F59-E506 HydrophobicContact CD2-CG 3.43Å; F59-E506 VanDerWaalsContact CD2-CG 3.43Å; F59-E506 HydrophobicContact CE2-CG 4.01Å; F59-E506 HydrophobicContact CG-CG 4.24Å; F59-V509 HydrophobicContact CE2-CG1 4.37Å; F59-V509 HydrophobicContact CZ-CG1 3.89Å; F59-R510 HydrophobicContact CE2-CG 3.96Å; F59-L513 HydrophobicContact CZ-CD1 4.18Å; F59-Q539 WeakPolarHBondContact CD1-O 3.49Å; F59-Q539 WeakPolarHBondContact O-CB 3.45Å; F59-Q539 WeakPolarHBondContact O-CG 3.36Å; F59-I540 HydrophobicContact CD1-CG1 4.49Å; F59-I540 HydrophobicContact CE1-CG2 4.29Å; F59-I540 HydrophobicContact CZ-CG2 4.5Å; F59-T543 HydrophobicContact CD1-CG2 3.86Å; F59-T543 HydrophobicContact CE1-CG2 4.16Å; F59-L544 HydrophobicContact CE1-CD2 4.2Å; F59-L544 HydrophobicContact CE1-CG 4.07Å; F59-L544 HydrophobicContact CZ-CD2 4.17Å; F59-L544 HydrophobicContact CZ-CG 4.4Å
60	R	92.7	Very high	75.6	Confident	106 Å²	106	63.8 Å²	63.8	40%	0.4	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107	4.6	-180	-50.6	-62.9	169.3	156.3	-12.9	113.3	S58 S62 E506 T583 L587	S58-R60 PolarHBondContact O-N 3.29Å; S58-R60 WeakPolarHBondContact OG-CB 3.44Å; S58-R60 PolarHBondContact OG-N 3.3Å; S58-R60 VanDerWaalsContact OG-N 3.11Å; R60-S62 PolarHBondContact O-N 3.19Å; R60-S62 VanDerWaalsContact O-N 3.12Å; R60-E506 IonicContact CZ-OE1 2.73Å; R60-E506 IonicContact CZ-OE2 3.35Å; R60-E506 IonicContact NE-OE1 3.55Å; R60-E506 IonicContact NE-OE2 3.47Å; R60-E506 IonicContact NH2-OE1 3.21Å; R60-E506 PolarHBondContact NH2-OE1 3.5Å; R60-E506 VanDerWaalsContact NH2-OE1 3.07Å; R60-E506 IonicContact NH2-OE2 2.72Å; R60-E506 PolarHBondContact NH2-OE2 3.11Å; R60-T583 PolarHBondContact NH1-OG1 2.98Å; R60-L587 HydrophobicContact CB-CD2 4.38Å; R60-L587 VanDerWaalsContact O-CD2 3.3Å; R60-L587 WeakPolarHBondContact O-CD2 3.33Å
61	D	92.2	Very high	78.5	Confident	71 Å²	71	56.9 Å²	56.9	38%	0.38	31%	0.312	S	S	.	.			trans	-73.4	100.5	171.5	-173.5	-24	0	0	0	110.6	S58 K63 L64 A65	S58-D61 PolarHBondContact O-N 2.99Å; D61-K63 VanDerWaalsContact C-N 3.31Å; D61-K63 PolarHBondContact O-N 2.83Å; D61-K63 WeakPolarHBondContact OD1-CA 3.45Å; D61-K63 WeakPolarHBondContact OD1-CB 3.45Å; D61-K63 PolarHBondContact OD1-N 3.14Å; D61-L64 HydrophobicContact CB-CB 4.03Å; D61-L64 PolarHBondContact OD1-N 3.11Å; D61-A65 WeakPolarHBondContact O-CB 3.3Å; D61-A65 PolarHBondContact O-N 2.83Å
62	S	92	Very high	81.4	Confident	20 Å²	20	57.2 Å²	57.2	14%	0.14	31%	0.314	C	S	.	.	H	α-helix	trans	-67.5	-29.5	-179	66.8	0	0	0	0	113.6	R60 H66 L587	R60-S62 PolarHBondContact O-N 3.19Å; R60-S62 VanDerWaalsContact O-N 3.12Å; S62-H66 PolarHBondContact O-N 3.23Å; S62-H66 PolarHBondContact O-ND1 2.89Å; S62-L587 WeakPolarHBondContact CB-O 3.41Å
63	K	92.9	Very high	84.2	Confident	126 Å²	126	55 Å²	55	55%	0.548	30%	0.296	S	S	.	.	H	α-helix	trans	-72.1	-47.6	-178.7	-179.8	-174.9	175.8	-172.6	0	109.5	D61 A67 E591	D61-K63 VanDerWaalsContact C-N 3.31Å; D61-K63 PolarHBondContact O-N 2.83Å; D61-K63 WeakPolarHBondContact OD1-CA 3.45Å; D61-K63 WeakPolarHBondContact OD1-CB 3.45Å; D61-K63 PolarHBondContact OD1-N 3.14Å; K63-A67 WeakPolarHBondContact O-CB 2.92Å; K63-A67 PolarHBondContact O-N 3.09Å; K63-E591 VanDerWaalsContact CA-OE2 3.32Å; K63-E591 WeakPolarHBondContact CA-OE2 3.27Å
64	L	91.7	Very high	86.8	Confident	48 Å²	48	50.8 Å²	50.8	25%	0.251	27%	0.271	S	S	.	.	H	α-helix	trans	-63.8	-50.4	176.5	-167.5	164.5	0	0	0	110.6	D61 H66 A67 F542 T543 Q546	D61-L64 HydrophobicContact CB-CB 4.03Å; D61-L64 PolarHBondContact OD1-N 3.11Å; L64-H66 PolarHBondContact O-N 3.15Å; L64-A67 PolarHBondContact O-N 2.92Å; L64-F542 VanDerWaalsContact CD2-C 3.47Å; L64-F542 HydrophobicContact CD2-CB 4.01Å; L64-T543 VanDerWaalsContact CD2-CA 3.5Å; L64-Q546 HydrophobicContact CD1-CB 4.08Å; L64-Q546 HydrophobicContact CD1-CG 4.1Å; L64-Q546 HydrophobicContact CD2-CB 4.27Å; L64-Q546 HydrophobicContact CD2-CG 3.73Å; L64-Q546 HydrophobicContact CG-CB 4.49Å; L64-Q546 HydrophobicContact CG-CG 3.98Å
65	A	92.2	Very high	89.2	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-53.2	-31.7	-178.3	0	0	0	0	0	114.1	D61 Q539 F542	D61-A65 WeakPolarHBondContact O-CB 3.3Å; D61-A65 PolarHBondContact O-N 2.83Å; A65-Q539 VanDerWaalsContact CB-CA 3.48Å; A65-Q539 HydrophobicContact CB-CB 3.75Å; A65-F542 VanDerWaalsContact O-CD2 3.28Å; A65-F542 WeakPolarHBondContact O-CD2 3.35Å
66	H	94.3	Very high	91.3	Very high	3 Å²	3	47.2 Å²	47.2	1%	0.014	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.1	11.4	-172.9	-57.4	104.9	0	0	0	113.6	S62 L64 A68 K69 L588 E591 R595	S62-H66 PolarHBondContact O-N 3.23Å; S62-H66 PolarHBondContact O-ND1 2.89Å; L64-H66 PolarHBondContact O-N 3.15Å; H66-A68 PolarHBondContact O-N 3.47Å; H66-A68 VanDerWaalsContact O-N 3.15Å; H66-K69 PolarHBondContact O-N 3.33Å; H66-L588 VanDerWaalsContact CD2-CD2 3.42Å; H66-L588 WeakPolarHBondContact CD2-CD2 3.47Å; H66-L588 WeakPolarHBondContact NE2-CD2 3.48Å; H66-L588 WeakPolarHBondContact NE2-CG 3.22Å; H66-E591 HydrophobicContact CB-CB 4.39Å; H66-E591 HydrophobicContact CB-CG 3.86Å; H66-R595 PolarHBondContact O-NH2 3.46Å
67	A	92.3	Very high	92.8	Very high	21 Å²	21	39 Å²	39	17%	0.174	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-30.3	178.3	0	0	0	0	0	112	K63 L64 K69 Y140 Y603 P605	K63-A67 WeakPolarHBondContact O-CB 2.92Å; K63-A67 PolarHBondContact O-N 3.09Å; L64-A67 PolarHBondContact O-N 2.92Å; A67-K69 VanDerWaalsContact C-N 3.31Å; A67-K69 PolarHBondContact O-N 3.29Å; A67-Y140 HydrophobicContact CB-CD1 4.23Å; A67-Y140 HydrophobicContact CB-CE1 3.65Å; A67-Y140 PolarHBondContact O-OH 3.03Å; A67-Y603 WeakPolarHBondContact O-CE1 3.27Å; A67-Y603 PolarHBondContact O-OH 2.94Å; A67-P605 WeakPolarHBondContact O-CB 3.27Å
68	A	93.2	Very high	93.7	Very high	2 Å²	2	38 Å²	38	2%	0.017	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83	3.8	178.1	0	0	0	0	0	114.8	H66 R136 Y140 F542 P605	H66-A68 PolarHBondContact O-N 3.47Å; H66-A68 VanDerWaalsContact O-N 3.15Å; A68-R136 VanDerWaalsContact O-CD 3.28Å; A68-R136 WeakPolarHBondContact O-CD 3.17Å; A68-R136 PolarHBondContact O-NE 2.91Å; A68-Y140 HydrophobicContact CB-CD1 4.06Å; A68-Y140 HydrophobicContact CB-CD2 3.56Å; A68-Y140 HydrophobicContact CB-CE1 4.35Å; A68-Y140 HydrophobicContact CB-CE2 3.9Å; A68-Y140 HydrophobicContact CB-CG 3.65Å; A68-F542 HydrophobicContact CB-CD1 4.29Å; A68-F542 HydrophobicContact CB-CE1 3.56Å; A68-F542 HydrophobicContact CB-CE2 4.3Å; A68-F542 HydrophobicContact CB-CZ 3.56Å; A68-P605 WeakPolarHBondContact O-CG 3.3Å
69	K	95	Very high	94	Very high	23 Å²	23	38.7 Å²	38.7	10%	0.1	20%	0.197	C	C	.	.			trans	-117.4	137.4	-175.8	-73.1	-167.3	176.2	175	0	113.3	H66 A67 E73 V74 D538 R595 Y603	H66-K69 PolarHBondContact O-N 3.33Å; A67-K69 VanDerWaalsContact C-N 3.31Å; A67-K69 PolarHBondContact O-N 3.29Å; K69-E73 WeakPolarHBondContact CA-OE2 3.33Å; K69-E73 HydrophobicContact CB-CB 4.18Å; K69-E73 HydrophobicContact CD-CB 4.37Å; K69-E73 HydrophobicContact CG-CB 4.41Å; K69-V74 HydrophobicContact CB-CG2 4.12Å; K69-D538 WeakPolarHBondContact CE-OD2 3.46Å; K69-D538 IonicContact NZ-OD2 3.11Å; K69-D538 PolarHBondContact NZ-OD2 2.89Å; K69-R595 PolarHBondContact O-NH1 3.07Å; K69-R595 PolarHBondContact O-NH2 3.1Å; K69-R595 VanDerWaalsContact O-NH2 3.11Å; K69-Y603 VanDerWaalsContact O-CD1 3.23Å; K69-Y603 WeakPolarHBondContact O-CD1 3.26Å; K69-Y603 WeakPolarHBondContact O-CE1 3.35Å
70	S	95.3	Very high	94.1	Very high	15 Å²	15	38.6 Å²	38.6	11%	0.105	20%	0.197	C	C	.	.			trans	-71.2	168.3	170.3	79.9	0	0	0	0	112.3	S72 E73 V74 Y603	S70-S72 VanDerWaalsContact C-N 3.34Å; S70-S72 PolarHBondContact O-N 3.4Å; S70-S72 PolarHBondContact OG-N 2.92Å; S70-S72 PolarHBondContact OG-OG 3.3Å; S70-E73 PolarHBondContact N-OE2 3.38Å; S70-E73 PolarHBondContact O-N 2.84Å; S70-E73 VanDerWaalsContact OG-CG 3.29Å; S70-E73 WeakPolarHBondContact OG-CG 3.44Å; S70-E73 PolarHBondContact OG-N 2.94Å; S70-E73 PolarHBondContact OG-OE2 2.91Å; S70-V74 WeakPolarHBondContact O-CG2 3.14Å; S70-V74 PolarHBondContact O-N 3.22Å; S70-Y603 VanDerWaalsContact CA-O 3.22Å; S70-Y603 WeakPolarHBondContact CA-O 3.34Å; S70-Y603 VanDerWaalsContact CB-O 3.31Å; S70-Y603 WeakPolarHBondContact CB-O 3.49Å
71	N	94.7	Very high	94.1	Very high	15 Å²	15	33.7 Å²	33.7	8%	0.08	18%	0.178	C	C	.	.	H	α-helix	trans	-61.8	-40.2	175.1	-72	-11.4	0	0	0	112.9	E73 V74 I75 R595 Q600 F601 Y603	N71-E73 VanDerWaalsContact C-N 3.25Å; N71-E73 PolarHBondContact O-N 2.9Å; N71-V74 PolarHBondContact O-N 3.06Å; N71-I75 VanDerWaalsContact O-CG1 3.3Å; N71-I75 WeakPolarHBondContact O-CG1 3.37Å; N71-I75 PolarHBondContact O-N 3.27Å; N71-R595 WeakPolarHBondContact OD1-CD 3.32Å; N71-R595 PolarHBondContact OD1-NH1 3.33Å; N71-Q600 PolarHBondContact ND2-O 3.24Å; N71-F601 PolarHBondContact ND2-O 3.43Å; N71-Y603 PolarHBondContact N-O 3.5Å; N71-Y603 PolarHBondContact ND2-N 3.46Å; N71-Y603 WeakPolarHBondContact OD1-CB 3.42Å
72	S	94.4	Very high	94.1	Very high	79 Å²	79	34.9 Å²	34.9	55%	0.552	18%	0.18	S	C	*	.	H	α-helix	trans	-63.9	-33.6	177.4	56.6	0	0	0	0	112.1	S70 R76	S70-S72 VanDerWaalsContact C-N 3.34Å; S70-S72 PolarHBondContact O-N 3.4Å; S70-S72 PolarHBondContact OG-N 2.92Å; S70-S72 PolarHBondContact OG-OG 3.3Å; S72-R76 WeakPolarHBondContact O-CB 3.49Å; S72-R76 PolarHBondContact O-N 3.09Å
73	E	95.8	Very high	94	Very high	25 Å²	25	36.1 Å²	36.1	12%	0.117	19%	0.185	C	C	.	.	H	α-helix	trans	-72.8	-37.9	176.7	-64.7	179.1	122	0	0	112.6	K69 S70 N71 R76 A77 R136	K69-E73 WeakPolarHBondContact CA-OE2 3.33Å; K69-E73 HydrophobicContact CB-CB 4.18Å; K69-E73 HydrophobicContact CD-CB 4.37Å; K69-E73 HydrophobicContact CG-CB 4.41Å; S70-E73 PolarHBondContact N-OE2 3.38Å; S70-E73 PolarHBondContact O-N 2.84Å; S70-E73 VanDerWaalsContact OG-CG 3.29Å; S70-E73 WeakPolarHBondContact OG-CG 3.44Å; S70-E73 PolarHBondContact OG-N 2.94Å; S70-E73 PolarHBondContact OG-OE2 2.91Å; N71-E73 VanDerWaalsContact C-N 3.25Å; N71-E73 PolarHBondContact O-N 2.9Å; E73-R76 PolarHBondContact O-N 3.22Å; E73-R76 IonicContact OE1-NH2 2.83Å; E73-A77 WeakPolarHBondContact O-CB 3.49Å; E73-A77 PolarHBondContact O-N 2.99Å; E73-R136 IonicContact OE1-CZ 3.63Å; E73-R136 IonicContact OE1-NH1 3.59Å; E73-R136 PolarHBondContact OE1-NH1 3.06Å; E73-R136 IonicContact OE1-NH2 3.7Å; E73-R136 PolarHBondContact OE1-NH2 2.65Å; E73-R136 IonicContact OE2-CZ 2.71Å; E73-R136 IonicContact OE2-NH1 3.87Å; E73-R136 PolarHBondContact OE2-NH1 3.39Å; E73-R136 IonicContact OE2-NH2 2.77Å; E73-R136 PolarHBondContact OE2-NH2 3.36Å
74	V	95.6	Very high	93.9	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-64	-46.4	173.6	171.7	0	0	0	0	110.5	K69 S70 N71 A77 L78 L588 L592	K69-V74 HydrophobicContact CB-CG2 4.12Å; S70-V74 WeakPolarHBondContact O-CG2 3.14Å; S70-V74 PolarHBondContact O-N 3.22Å; N71-V74 PolarHBondContact O-N 3.06Å; V74-A77 PolarHBondContact O-N 3.01Å; V74-L78 HydrophobicContact CG1-CD1 4.28Å; V74-L78 WeakPolarHBondContact O-CG 3.42Å; V74-L78 PolarHBondContact O-N 3.37Å; V74-L588 HydrophobicContact CB-CD2 4.41Å; V74-L588 HydrophobicContact CG1-CB 4.48Å; V74-L588 HydrophobicContact CG1-CD2 4.02Å; V74-L588 HydrophobicContact CG2-CD2 4.32Å; V74-L592 HydrophobicContact CG1-CB 4Å
75	I	95.9	Very high	93.6	Very high	92 Å²	92	29.8 Å²	29.8	47%	0.472	16%	0.16	S	C	.	.	H	α-helix	trans	-62.8	-45	176.9	-67.2	165.8	0	0	0	110.7	N71 A77 L78 L79 L592	N71-I75 VanDerWaalsContact O-CG1 3.3Å; N71-I75 WeakPolarHBondContact O-CG1 3.37Å; N71-I75 PolarHBondContact O-N 3.27Å; I75-A77 VanDerWaalsContact C-N 3.34Å; I75-A77 PolarHBondContact O-N 3.39Å; I75-L78 PolarHBondContact O-N 2.84Å; I75-L79 PolarHBondContact O-N 3.01Å; I75-L592 HydrophobicContact CG1-CD1 4.24Å; I75-L592 HydrophobicContact CG1-CD2 4.17Å
76	R	96.6	Very high	93.5	Very high	55 Å²	55	34.1 Å²	34.1	21%	0.208	18%	0.179	C	C	.	.	H	α-helix	trans	-57.8	-45.9	175.2	177	171.2	70.1	-142.7	0.9	111.7	S72 E73 L79 V80 M115 T116 G119 H120	S72-R76 WeakPolarHBondContact O-CB 3.49Å; S72-R76 PolarHBondContact O-N 3.09Å; E73-R76 PolarHBondContact O-N 3.22Å; E73-R76 IonicContact OE1-NH2 2.83Å; R76-L79 PolarHBondContact O-N 3.17Å; R76-V80 HydrophobicContact CG-CG2 4.34Å; R76-V80 WeakPolarHBondContact O-CB 3.43Å; R76-V80 VanDerWaalsContact O-CG2 3.32Å; R76-V80 WeakPolarHBondContact O-CG2 3.45Å; R76-V80 PolarHBondContact O-N 2.72Å; R76-M115 WeakPolarHBondContact CD-O 3.28Å; R76-M115 VanDerWaalsContact CG-O 3.25Å; R76-M115 WeakPolarHBondContact CG-O 3.49Å; R76-T116 WeakPolarHBondContact CD-O 3.36Å; R76-G119 VanDerWaalsContact CZ-C 3.46Å; R76-G119 VanDerWaalsContact NE-C 3.31Å; R76-G119 PolarHBondContact NE-O 3.17Å; R76-G119 PolarHBondContact NH2-O 3.24Å; R76-H120 HydrophobicContact CG-CB 4.35Å
77	A	95.4	Very high	93.1	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-61.6	-45.5	178.1	0	0	0	0	0	111.7	E73 V74 I75 L79 V80 F81 H120 L588	E73-A77 WeakPolarHBondContact O-CB 3.49Å; E73-A77 PolarHBondContact O-N 2.99Å; V74-A77 PolarHBondContact O-N 3.01Å; I75-A77 VanDerWaalsContact C-N 3.34Å; I75-A77 PolarHBondContact O-N 3.39Å; A77-L79 VanDerWaalsContact C-N 3.31Å; A77-L79 PolarHBondContact O-N 3.49Å; A77-V80 PolarHBondContact O-N 3.23Å; A77-F81 HydrophobicContact CB-CD2 4.37Å; A77-F81 HydrophobicContact CB-CE2 4.19Å; A77-F81 WeakPolarHBondContact O-CD2 3.23Å; A77-F81 WeakPolarHBondContact O-CG 3.36Å; A77-F81 PolarHBondContact O-N 3.32Å; A77-H120 VanDerWaalsContact CB-CE1 3.47Å; A77-H120 WeakPolarHBondContact CB-CE1 3.44Å; A77-L588 HydrophobicContact CB-CD1 3.66Å; A77-L588 HydrophobicContact CB-CD2 4.02Å
78	L	95.1	Very high	92.9	Very high	26 Å²	26	42.5 Å²	42.5	14%	0.136	23%	0.23	C	C	.	.	H	α-helix	trans	-57.4	-43.8	175.3	-74.9	167.3	0	0	0	112.2	V74 I75 K82 L588 W589 L592	V74-L78 HydrophobicContact CG1-CD1 4.28Å; V74-L78 WeakPolarHBondContact O-CG 3.42Å; V74-L78 PolarHBondContact O-N 3.37Å; I75-L78 PolarHBondContact O-N 2.84Å; L78-K82 VanDerWaalsContact O-CB 3.27Å; L78-K82 WeakPolarHBondContact O-CB 3.5Å; L78-K82 PolarHBondContact O-N 2.96Å; L78-L588 HydrophobicContact CD2-CB 3.65Å; L78-L588 HydrophobicContact CG-CB 3.91Å; L78-W589 HydrophobicContact CD1-CE3 4.02Å; L78-W589 HydrophobicContact CD2-CB 4.25Å; L78-L592 HydrophobicContact CD1-CB 4.46Å; L78-L592 HydrophobicContact CD1-CD2 3.7Å
79	L	95.1	Very high	92.7	Very high	84 Å²	84	45.9 Å²	45.9	44%	0.44	25%	0.248	S	C	.	.	H	α-helix	trans	-63.5	-50.2	176.3	176.9	61.7	0	0	0	111.5	I75 R76 A77 F81 K82 I83 T116	I75-L79 PolarHBondContact O-N 3.01Å; R76-L79 PolarHBondContact O-N 3.17Å; A77-L79 VanDerWaalsContact C-N 3.31Å; A77-L79 PolarHBondContact O-N 3.49Å; L79-F81 PolarHBondContact O-N 3.24Å; L79-K82 WeakPolarHBondContact O-CB 3.47Å; L79-K82 PolarHBondContact O-N 3.39Å; L79-K82 VanDerWaalsContact O-N 3.17Å; L79-I83 HydrophobicContact CD1-CD1 4.1Å; L79-I83 HydrophobicContact CD1-CG1 4.36Å; L79-I83 HydrophobicContact CG-CD1 4.05Å; L79-I83 WeakPolarHBondContact O-CG1 3.36Å; L79-I83 PolarHBondContact O-N 2.91Å; L79-T116 HydrophobicContact CD2-CG2 3.97Å
80	V	94.2	Very high	92.3	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-59.3	-49.2	-179.3	168.7	0	0	0	0	110.8	R76 A77 K82 I83 C84 T116 F117 H120 F121	R76-V80 HydrophobicContact CG-CG2 4.34Å; R76-V80 WeakPolarHBondContact O-CB 3.43Å; R76-V80 VanDerWaalsContact O-CG2 3.32Å; R76-V80 WeakPolarHBondContact O-CG2 3.45Å; R76-V80 PolarHBondContact O-N 2.72Å; A77-V80 PolarHBondContact O-N 3.23Å; V80-K82 VanDerWaalsContact C-N 3.29Å; V80-K82 PolarHBondContact O-N 3.45Å; V80-I83 PolarHBondContact O-N 3.13Å; V80-I83 VanDerWaalsContact O-N 3.09Å; V80-C84 PolarHBondContact O-N 2.92Å; V80-C84 PolarHBondContact O-SG 2.98Å; V80-C84 VanDerWaalsContact O-SG 3.33Å; V80-T116 VanDerWaalsContact CG2-C 3.44Å; V80-F117 HydrophobicContact CG1-CD1 4.03Å; V80-F117 HydrophobicContact CG1-CE1 3.98Å; V80-F117 HydrophobicContact CG1-CZ 4.42Å; V80-H120 HydrophobicContact CG2-CB 4.03Å; V80-F121 HydrophobicContact CG1-CE2 3.66Å; V80-F121 HydrophobicContact CG1-CZ 4.06Å
81	F	92.4	Very high	91.8	Very high	3 Å²	3	52.1 Å²	52.1	1%	0.013	27%	0.274	C	S	.	.	H	α-helix	trans	-67.3	-29.2	178.2	-66.4	-53.1	0	0	0	113.2	A77 L79 S85 H120 N574 T581 E584 R585 L588	A77-F81 HydrophobicContact CB-CD2 4.37Å; A77-F81 HydrophobicContact CB-CE2 4.19Å; A77-F81 WeakPolarHBondContact O-CD2 3.23Å; A77-F81 WeakPolarHBondContact O-CG 3.36Å; A77-F81 PolarHBondContact O-N 3.32Å; L79-F81 PolarHBondContact O-N 3.24Å; F81-S85 PolarHBondContact O-N 3.4Å; F81-S85 VanDerWaalsContact O-N 3.12Å; F81-H120 AromaticContact CE1-NE2 3.93Å; F81-H120 AromaticContact CE2-CE1 3.95Å; F81-H120 AromaticContact CE2-NE2 3.75Å; F81-H120 AromaticContact CZ-CE1 3.96Å; F81-H120 AromaticContact CZ-NE2 3.37Å; F81-H120 WeakPolarHBondContact CZ-NE2 3.35Å; F81-N574 WeakPolarHBondContact CE1-OD1 3.46Å; F81-T581 HydrophobicContact CD1-CG2 4.16Å; F81-T581 HydrophobicContact CE1-CG2 4.37Å; F81-E584 HydrophobicContact CE2-CB 4.34Å; F81-E584 WeakPolarHBondContact CE2-OE2 3.33Å; F81-E584 WeakPolarHBondContact CZ-OE2 3.45Å; F81-R585 HydrophobicContact CB-CG 3.48Å; F81-R585 VanDerWaalsContact CB-CG 3.48Å; F81-R585 HydrophobicContact CD2-CG 4.24Å; F81-R585 HydrophobicContact CG-CG 4.16Å; F81-L588 HydrophobicContact CD2-CD1 3.71Å; F81-L588 HydrophobicContact CE2-CD1 3.7Å
82	K	91.2	Very high	91.5	Very high	95 Å²	95	55.6 Å²	55.6	41%	0.413	29%	0.289	S	S	.	.	H	α-helix	trans	-65.7	-42.4	170.3	-179.1	63.3	179.5	174	0	110.9	L78 L79 V80 S85 F86	L78-K82 VanDerWaalsContact O-CB 3.27Å; L78-K82 WeakPolarHBondContact O-CB 3.5Å; L78-K82 PolarHBondContact O-N 2.96Å; L79-K82 WeakPolarHBondContact O-CB 3.47Å; L79-K82 PolarHBondContact O-N 3.39Å; L79-K82 VanDerWaalsContact O-N 3.17Å; V80-K82 VanDerWaalsContact C-N 3.29Å; V80-K82 PolarHBondContact O-N 3.45Å; K82-S85 WeakPolarHBondContact O-CB 3.32Å; K82-S85 PolarHBondContact O-N 2.93Å; K82-S85 PolarHBondContact O-OG 3.4Å; K82-F86 HydrophobicContact CD-CE2 4.39Å; K82-F86 HydrophobicContact CG-CE2 4.22Å; K82-F86 WeakPolarHBondContact O-CD2 3.22Å; K82-F86 VanDerWaalsContact O-CE2 3.22Å; K82-F86 WeakPolarHBondContact O-CE2 3.31Å
83	I	91.2	Very high	91.2	Very high	47 Å²	47	52.7 Å²	52.7	24%	0.241	27%	0.267	C	S	.	.	H	α-helix	trans	-63.5	-44.4	175.7	-62.7	164.7	0	0	0	110.6	L79 V80 S85 F86 L89 F117	L79-I83 HydrophobicContact CD1-CD1 4.1Å; L79-I83 HydrophobicContact CD1-CG1 4.36Å; L79-I83 HydrophobicContact CG-CD1 4.05Å; L79-I83 WeakPolarHBondContact O-CG1 3.36Å; L79-I83 PolarHBondContact O-N 2.91Å; V80-I83 PolarHBondContact O-N 3.13Å; V80-I83 VanDerWaalsContact O-N 3.09Å; I83-S85 PolarHBondContact O-N 3.49Å; I83-F86 WeakPolarHBondContact O-CD2 3.29Å; I83-F86 PolarHBondContact O-N 2.9Å; I83-F86 VanDerWaalsContact O-N 3.15Å; I83-L89 HydrophobicContact CG2-CD1 4.35Å; I83-F117 HydrophobicContact CB-CE2 4.29Å; I83-F117 HydrophobicContact CB-CZ 4.05Å; I83-F117 HydrophobicContact CD1-CE2 4.1Å; I83-F117 HydrophobicContact CG2-CE2 3.9Å; I83-F117 HydrophobicContact CG2-CZ 3.69Å
84	C	89.3	Confident	90.7	Very high	3 Å²	3	55.2 Å²	55.2	2%	0.02	28%	0.278	C	S	.	.	H	α-helix	trans	-60.9	-24.1	176.2	-65.3	0	0	0	0	113.1	V80 F86 V90 N574	V80-C84 PolarHBondContact O-N 2.92Å; V80-C84 PolarHBondContact O-SG 2.98Å; V80-C84 VanDerWaalsContact O-SG 3.33Å; C84-F86 PolarHBondContact O-N 2.93Å; C84-V90 HydrophobicContact CB-CG2 4.45Å; C84-V90 WeakPolarHBondContact O-CG2 3.19Å; C84-N574 HydrophobicContact CB-CB 3.98Å
85	S	87.4	Confident	90.3	Very high	37 Å²	37	62.3 Å²	62.3	26%	0.259	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-2.2	178.1	74.2	0	0	0	0	114.7	F81 K82 I83 P87 R585	F81-S85 PolarHBondContact O-N 3.4Å; F81-S85 VanDerWaalsContact O-N 3.12Å; K82-S85 WeakPolarHBondContact O-CB 3.32Å; K82-S85 PolarHBondContact O-N 2.93Å; K82-S85 PolarHBondContact O-OG 3.4Å; I83-S85 PolarHBondContact O-N 3.49Å; S85-P87 WeakPolarHBondContact O-CD 3.46Å; S85-R585 PolarHBondContact OG-NH1 2.69Å
86	F	89.3	Confident	90	Very high	92 Å²	92	61.7 Å²	61.7	40%	0.404	31%	0.306	S	S	.	.			trans	-101.1	102.7	175.3	-61.6	-76.4	0	0	0	110.8	K82 I83 C84 T88 L89 V90	K82-F86 HydrophobicContact CD-CE2 4.39Å; K82-F86 HydrophobicContact CG-CE2 4.22Å; K82-F86 WeakPolarHBondContact O-CD2 3.22Å; K82-F86 VanDerWaalsContact O-CE2 3.22Å; K82-F86 WeakPolarHBondContact O-CE2 3.31Å; I83-F86 WeakPolarHBondContact O-CD2 3.29Å; I83-F86 PolarHBondContact O-N 2.9Å; I83-F86 VanDerWaalsContact O-N 3.15Å; C84-F86 PolarHBondContact O-N 2.93Å; F86-T88 VanDerWaalsContact C-N 3.29Å; F86-T88 PolarHBondContact O-N 2.83Å; F86-L89 HydrophobicContact CB-CB 4.12Å; F86-L89 HydrophobicContact CB-CD1 3.78Å; F86-L89 HydrophobicContact CB-CG 3.89Å; F86-L89 HydrophobicContact CD2-CD1 3.96Å; F86-L89 HydrophobicContact CG-CD1 4.08Å; F86-L89 PolarHBondContact O-N 2.86Å; F86-L89 VanDerWaalsContact O-N 3.11Å; F86-V90 PolarHBondContact O-N 3.49Å; F86-V90 VanDerWaalsContact O-N 3.14Å
87	P	86.5	Confident	89.7	Confident	98 Å²	98	60.2 Å²	60.2	64%	0.636	30%	0.302	S	S	*	.	H	α-helix	trans	-58.2	-38.2	-172.4	-26.5	35.5	0	0	0	113.7	S85 L89 V90 K91	S85-P87 WeakPolarHBondContact O-CD 3.46Å; P87-L89 PolarHBondContact O-N 2.87Å; P87-V90 PolarHBondContact O-N 3.38Å; P87-K91 VanDerWaalsContact O-CB 3.29Å; P87-K91 WeakPolarHBondContact O-CB 3.22Å; P87-K91 PolarHBondContact O-N 3.47Å
88	T	87.5	Confident	89.4	Confident	101 Å²	101	64.4 Å²	64.4	62%	0.62	32%	0.324	S	S	*	.	H	α-helix	trans	-65.6	-38.5	-179.9	-50.8	0	0	0	0	112.6	F86 H92	F86-T88 VanDerWaalsContact C-N 3.29Å; F86-T88 PolarHBondContact O-N 2.83Å; T88-H92 PolarHBondContact O-N 3.24Å; T88-H92 PolarHBondContact O-ND1 3.25Å
89	L	87.7	Confident	89.2	Confident	73 Å²	73	66.2 Å²	66.2	38%	0.382	34%	0.336	S	S	.	.	H	α-helix	trans	-68.3	-45.3	177.2	-65.1	-177.3	0	0	0	110.4	I83 F86 P87 H92 N93 L96	I83-L89 HydrophobicContact CG2-CD1 4.35Å; F86-L89 HydrophobicContact CB-CB 4.12Å; F86-L89 HydrophobicContact CB-CD1 3.78Å; F86-L89 HydrophobicContact CB-CG 3.89Å; F86-L89 HydrophobicContact CD2-CD1 3.96Å; F86-L89 HydrophobicContact CG-CD1 4.08Å; F86-L89 PolarHBondContact O-N 2.86Å; F86-L89 VanDerWaalsContact O-N 3.11Å; P87-L89 PolarHBondContact O-N 2.87Å; L89-H92 CarbonylContact O-C 3.55Å; L89-H92 PolarHBondContact O-N 3.36Å; L89-N93 WeakPolarHBondContact O-CA 3.33Å; L89-N93 WeakPolarHBondContact O-CB 3.47Å; L89-N93 PolarHBondContact O-N 3.08Å; L89-L96 HydrophobicContact CB-CD1 4.34Å; L89-L96 HydrophobicContact CD2-CD1 3.75Å
90	V	86.5	Confident	88.9	Confident	10 Å²	10	63.5 Å²	63.5	6%	0.061	32%	0.324	C	S	.	.	H	α-helix	trans	-63.9	-43.4	179.1	169.9	0	0	0	0	111.4	C84 F86 P87 H92 N93 A571 L572	C84-V90 HydrophobicContact CB-CG2 4.45Å; C84-V90 WeakPolarHBondContact O-CG2 3.19Å; F86-V90 PolarHBondContact O-N 3.49Å; F86-V90 VanDerWaalsContact O-N 3.14Å; P87-V90 PolarHBondContact O-N 3.38Å; V90-H92 VanDerWaalsContact C-N 3.34Å; V90-H92 PolarHBondContact O-N 2.93Å; V90-N93 WeakPolarHBondContact O-CB 3.49Å; V90-N93 PolarHBondContact O-N 3Å; V90-N93 PolarHBondContact O-ND2 3.49Å; V90-A571 VanDerWaalsContact CG1-O 3.26Å; V90-A571 WeakPolarHBondContact CG1-O 3.25Å; V90-L572 VanDerWaalsContact CG1-CA 3.47Å; V90-L572 HydrophobicContact CG1-CB 4.45Å; V90-L572 HydrophobicContact CG1-CD2 3.88Å; V90-L572 HydrophobicContact CG1-CG 4.33Å; V90-L572 WeakPolarHBondContact O-CD2 3.48Å
91	K	85.9	Confident	88.6	Confident	159 Å²	159	67.3 Å²	67.3	69%	0.691	34%	0.339	S	S	*	.	H	α-helix	trans	-61.8	-39.4	177.9	-175.4	178.4	179.6	-179.9	0	112.8	P87	P87-K91 VanDerWaalsContact O-CB 3.29Å; P87-K91 WeakPolarHBondContact O-CB 3.22Å; P87-K91 PolarHBondContact O-N 3.47Å
92	H	88.3	Confident	88.5	Confident	89 Å²	89	75.8 Å²	75.8	41%	0.412	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	18	-177.1	-58	102.4	0	0	0	113.6	T88 L89 V90 K94 K95 L96	T88-H92 PolarHBondContact O-N 3.24Å; T88-H92 PolarHBondContact O-ND1 3.25Å; L89-H92 CarbonylContact O-C 3.55Å; L89-H92 PolarHBondContact O-N 3.36Å; V90-H92 VanDerWaalsContact C-N 3.34Å; V90-H92 PolarHBondContact O-N 2.93Å; H92-K94 VanDerWaalsContact C-N 3.33Å; H92-K94 PolarHBondContact O-N 3.06Å; H92-K95 PolarHBondContact O-N 3.32Å; H92-K95 VanDerWaalsContact O-N 3.17Å; H92-L96 WeakPolarHBondContact O-CG 3.26Å; H92-L96 PolarHBondContact O-N 3.01Å
93	N	88.3	Confident	88.6	Confident	17 Å²	17	77 Å²	77	9%	0.091	39%	0.386	C	S	.	.	H	α-helix	trans	-58	-40.1	-169.4	78.1	79.6	0	0	0	113.3	L89 V90 K95 L96 M97 S568	L89-N93 WeakPolarHBondContact O-CA 3.33Å; L89-N93 WeakPolarHBondContact O-CB 3.47Å; L89-N93 PolarHBondContact O-N 3.08Å; V90-N93 WeakPolarHBondContact O-CB 3.49Å; V90-N93 PolarHBondContact O-N 3Å; V90-N93 PolarHBondContact O-ND2 3.49Å; N93-K95 PolarHBondContact O-N 3.04Å; N93-L96 PolarHBondContact O-N 3.43Å; N93-M97 WeakPolarHBondContact O-CG 3.46Å; N93-M97 PolarHBondContact O-N 2.91Å; N93-M97 WeakPolarHBondContact OD1-CE 3.43Å; N93-S568 PolarHBondContact ND2-OG 3.29Å; N93-S568 WeakPolarHBondContact OD1-CA 3.38Å; N93-S568 WeakPolarHBondContact OD1-CB 3.33Å; N93-S568 PolarHBondContact OD1-OG 2.94Å
94	K	85.9	Confident	88.6	Confident	79 Å²	79	80 Å²	80	34%	0.343	40%	0.397	S	S	.	.	H	α-helix	trans	-59.6	-50	178	-68.6	-165	177.2	-160.8	0	111.3	H92 L96 M97 D98 D153 S568	H92-K94 VanDerWaalsContact C-N 3.33Å; H92-K94 PolarHBondContact O-N 3.06Å; K94-L96 VanDerWaalsContact C-N 3.31Å; K94-L96 PolarHBondContact O-N 2.96Å; K94-M97 HydrophobicContact CG-CE 4.42Å; K94-M97 WeakPolarHBondContact O-CB 3.45Å; K94-M97 PolarHBondContact O-N 3.34Å; K94-M97 VanDerWaalsContact O-N 3.17Å; K94-D98 PolarHBondContact O-N 2.96Å; K94-D153 IonicContact NZ-OD1 2.83Å; K94-D153 IonicContact NZ-OD2 2.72Å; K94-D153 PolarHBondContact NZ-OD2 3.4Å; K94-S568 WeakPolarHBondContact CG-OG 3.5Å
95	K	87.5	Confident	88.6	Confident	148 Å²	148	81.3 Å²	81.3	64%	0.643	41%	0.41	S	S	*	.	H	α-helix	trans	-60.8	-40.1	176.9	-173.6	176.2	-179.5	178.1	0	111.8	H92 N93 D98 V99	H92-K95 PolarHBondContact O-N 3.32Å; H92-K95 VanDerWaalsContact O-N 3.17Å; N93-K95 PolarHBondContact O-N 3.04Å; K95-D98 PolarHBondContact O-N 3.12Å; K95-V99 HydrophobicContact CG-CG2 4.47Å; K95-V99 WeakPolarHBondContact O-CB 3.41Å; K95-V99 VanDerWaalsContact O-CG2 3.26Å; K95-V99 WeakPolarHBondContact O-CG2 3.46Å; K95-V99 PolarHBondContact O-N 2.9Å
96	L	89.7	Confident	88.7	Confident	79 Å²	79	85.9 Å²	85.9	41%	0.414	43%	0.426	S	S	.	.	H	α-helix	trans	-65.8	-40.2	176.3	-70.5	170.4	0	0	0	112	L89 H92 N93 K94 V99 S100	L89-L96 HydrophobicContact CB-CD1 4.34Å; L89-L96 HydrophobicContact CD2-CD1 3.75Å; H92-L96 WeakPolarHBondContact O-CG 3.26Å; H92-L96 PolarHBondContact O-N 3.01Å; N93-L96 PolarHBondContact O-N 3.43Å; K94-L96 VanDerWaalsContact C-N 3.31Å; K94-L96 PolarHBondContact O-N 2.96Å; L96-V99 PolarHBondContact O-N 3.45Å; L96-S100 WeakPolarHBondContact O-CB 3.18Å; L96-S100 PolarHBondContact O-N 3.43Å; L96-S100 PolarHBondContact O-OG 3.25Å
97	M	89.8	Confident	88.9	Confident	24 Å²	24	86.4 Å²	86.4	12%	0.118	44%	0.441	C	S	.	.	H	α-helix	trans	-62	-45.1	173.4	-72.4	-172.1	-65.5	0	0	111	N93 K94 S100 R101 F109 M113 L564	N93-M97 WeakPolarHBondContact O-CG 3.46Å; N93-M97 PolarHBondContact O-N 2.91Å; N93-M97 WeakPolarHBondContact OD1-CE 3.43Å; K94-M97 HydrophobicContact CG-CE 4.42Å; K94-M97 WeakPolarHBondContact O-CB 3.45Å; K94-M97 PolarHBondContact O-N 3.34Å; K94-M97 VanDerWaalsContact O-N 3.17Å; M97-S100 WeakPolarHBondContact CA-OG 3.16Å; M97-S100 PolarHBondContact O-N 3.23Å; M97-S100 PolarHBondContact O-OG 3.34Å; M97-R101 WeakPolarHBondContact O-CB 3.38Å; M97-R101 PolarHBondContact O-N 3.04Å; M97-F109 HydrophobicContact CB-CE2 4.2Å; M97-F109 HydrophobicContact CB-CZ 4.19Å; M97-F109 HydrophobicContact CG-CE2 4.32Å; M97-F109 HydrophobicContact CG-CZ 4.33Å; M97-M113 HydrophobicContact SD-CE 4.31Å; M97-L564 HydrophobicContact SD-CD2 4.16Å
98	D	87.8	Confident	89.2	Confident	89 Å²	89	85.4 Å²	85.4	48%	0.476	43%	0.43	S	S	.	.	H	α-helix	trans	-63.6	-44.2	178	-66.7	-31	0	0	0	112.6	K94 K95 K102	K94-D98 PolarHBondContact O-N 2.96Å; K95-D98 PolarHBondContact O-N 3.12Å; D98-K102 VanDerWaalsContact O-CG 3.32Å; D98-K102 WeakPolarHBondContact O-CG 3.35Å; D98-K102 PolarHBondContact O-N 3.47Å
99	V	91.1	Very high	89.4	Confident	64 Å²	64	80.8 Å²	80.8	39%	0.388	40%	0.401	S	S	.	.	H	α-helix	trans	-66.2	-47.6	177.7	170.1	0	0	0	0	110.9	K95 L96 R101 K102 I103	K95-V99 HydrophobicContact CG-CG2 4.47Å; K95-V99 WeakPolarHBondContact O-CB 3.41Å; K95-V99 VanDerWaalsContact O-CG2 3.26Å; K95-V99 WeakPolarHBondContact O-CG2 3.46Å; K95-V99 PolarHBondContact O-N 2.9Å; L96-V99 PolarHBondContact O-N 3.45Å; V99-R101 VanDerWaalsContact C-N 3.31Å; V99-R101 PolarHBondContact O-N 3.16Å; V99-K102 PolarHBondContact O-N 3.28Å; V99-K102 VanDerWaalsContact O-N 3.13Å; V99-I103 HydrophobicContact CG1-CD1 3.55Å; V99-I103 HydrophobicContact CG1-CG1 4.31Å; V99-I103 WeakPolarHBondContact O-CG1 3.44Å; V99-I103 PolarHBondContact O-N 3.15Å
100	S	88.9	Confident	89.7	Confident	27 Å²	27	81.5 Å²	81.5	19%	0.189	40%	0.399	C	S	.	.	H	α-helix	trans	-62.1	-38.8	178.8	64.2	0	0	0	0	111.9	L96 M97 K102 I103 F104 F109	L96-S100 WeakPolarHBondContact O-CB 3.18Å; L96-S100 PolarHBondContact O-N 3.43Å; L96-S100 PolarHBondContact O-OG 3.25Å; M97-S100 WeakPolarHBondContact CA-OG 3.16Å; M97-S100 PolarHBondContact O-N 3.23Å; M97-S100 PolarHBondContact O-OG 3.34Å; S100-K102 PolarHBondContact O-N 2.93Å; S100-I103 PolarHBondContact O-N 2.92Å; S100-F104 WeakPolarHBondContact O-CB 3.32Å; S100-F104 VanDerWaalsContact O-CD2 3.26Å; S100-F104 WeakPolarHBondContact O-CD2 3.31Å; S100-F104 PolarHBondContact O-N 3.03Å; S100-F109 WeakPolarHBondContact OG-CD2 3.18Å; S100-F109 WeakPolarHBondContact OG-CE2 3.49Å
101	R	88.8	Confident	90.1	Very high	79 Å²	79	85.6 Å²	85.6	30%	0.298	42%	0.42	S	S	.	.	H	α-helix	trans	-64.4	-36.7	174	-179.4	179.4	165.6	160.5	2.6	112.7	M97 V99 G105 F109 E561	M97-R101 WeakPolarHBondContact O-CB 3.38Å; M97-R101 PolarHBondContact O-N 3.04Å; V99-R101 VanDerWaalsContact C-N 3.31Å; V99-R101 PolarHBondContact O-N 3.16Å; R101-G105 VanDerWaalsContact O-CA 3.31Å; R101-G105 WeakPolarHBondContact O-CA 3.33Å; R101-G105 PolarHBondContact O-N 2.97Å; R101-F109 HydrophobicContact CB-CD1 4.41Å; R101-F109 HydrophobicContact CB-CD2 4.16Å; R101-F109 HydrophobicContact CB-CE2 4.47Å; R101-F109 HydrophobicContact CB-CG 4.13Å; R101-F109 HydrophobicContact CG-CD1 4.44Å; R101-E561 IonicContact CZ-OE2 2.6Å; R101-E561 IonicContact NE-OE2 3.38Å; R101-E561 IonicContact NH1-OE2 3.44Å; R101-E561 PolarHBondContact NH1-OE2 2.6Å; R101-E561 IonicContact NH2-OE2 3.4Å
102	K	90.8	Very high	90.5	Very high	181 Å²	181	81.4 Å²	81.4	79%	0.787	40%	0.404	S	S	*	.	H	α-helix	trans	-70.2	-40.9	174.9	-74.4	177.1	-175.6	-176.5	0	112.3	D98 V99 S100	D98-K102 VanDerWaalsContact O-CG 3.32Å; D98-K102 WeakPolarHBondContact O-CG 3.35Å; D98-K102 PolarHBondContact O-N 3.47Å; V99-K102 PolarHBondContact O-N 3.28Å; V99-K102 VanDerWaalsContact O-N 3.13Å; S100-K102 PolarHBondContact O-N 2.93Å
103	I	92.1	Very high	90.8	Very high	122 Å²	122	77.7 Å²	77.7	63%	0.626	39%	0.387	S	S	*	.	H	α-helix	trans	-77.5	-51.1	-176.2	-67.6	172.5	0	0	0	111.9	V99 S100	V99-I103 HydrophobicContact CG1-CD1 3.55Å; V99-I103 HydrophobicContact CG1-CG1 4.31Å; V99-I103 WeakPolarHBondContact O-CG1 3.44Å; V99-I103 PolarHBondContact O-N 3.15Å; S100-I103 PolarHBondContact O-N 2.92Å
104	F	90.5	Very high	91.1	Very high	110 Å²	110	80.9 Å²	80.9	48%	0.482	40%	0.4	S	S	.	.	H	α-helix	trans	-88	-12	-173.6	-61.3	-57.6	0	0	0	113.4	S100 L108	S100-F104 WeakPolarHBondContact O-CB 3.32Å; S100-F104 VanDerWaalsContact O-CD2 3.26Å; S100-F104 WeakPolarHBondContact O-CD2 3.31Å; S100-F104 PolarHBondContact O-N 3.03Å; F104-L108 HydrophobicContact CB-CB 4.13Å; F104-L108 HydrophobicContact CB-CD2 3.87Å; F104-L108 HydrophobicContact CB-CG 4.05Å; F104-L108 HydrophobicContact CD1-CD2 3.89Å; F104-L108 HydrophobicContact CG-CD2 4.14Å; F104-L108 WeakPolarHBondContact O-CB 3.37Å
105	G	90.8	Very high	91.5	Very high	29 Å²	29	83 Å²	83	30%	0.299	41%	0.413	S	S	.	.	H	α-helix	trans	73.8	168	-171.7	0	0	0	0	0	113.3	R101 S107 F109	R101-G105 VanDerWaalsContact O-CA 3.31Å; R101-G105 WeakPolarHBondContact O-CA 3.33Å; R101-G105 PolarHBondContact O-N 2.97Å; G105-S107 PolarHBondContact O-N 3.43Å; G105-F109 WeakPolarHBondContact O-CB 3.44Å; G105-F109 PolarHBondContact O-N 3.15Å; G105-F109 VanDerWaalsContact O-N 3.08Å
106	K	89.3	Confident	91.9	Very high	133 Å²	133	76.7 Å²	76.7	58%	0.578	39%	0.387	S	S	*	.	H	α-helix	trans	-63.9	-38.1	-172.9	-65.9	-177.9	-178.1	177	0	113.5	R110	K106-R110 WeakPolarHBondContact O-CB 3.3Å; K106-R110 VanDerWaalsContact O-CG 3.22Å; K106-R110 WeakPolarHBondContact O-CG 3.22Å; K106-R110 PolarHBondContact O-N 2.86Å
107	S	92.3	Very high	92.1	Very high	104 Å²	104	74.3 Å²	74.3	73%	0.727	37%	0.373	S	S	*	.	H	α-helix	trans	-67.1	-53	-175.4	-171.2	0	0	0	0	111.8	G105 R110 L111	G105-S107 PolarHBondContact O-N 3.43Å; S107-R110 PolarHBondContact O-N 3.39Å; S107-L111 PolarHBondContact O-N 2.94Å
108	L	92.8	Very high	92.4	Very high	76 Å²	76	73.6 Å²	73.6	40%	0.398	37%	0.369	S	S	.	.	H	α-helix	trans	-66.9	-39	179.3	-178.1	55.8	0	0	0	111.4	F104 R110 L111 I112	F104-L108 HydrophobicContact CB-CB 4.13Å; F104-L108 HydrophobicContact CB-CD2 3.87Å; F104-L108 HydrophobicContact CB-CG 4.05Å; F104-L108 HydrophobicContact CD1-CD2 3.89Å; F104-L108 HydrophobicContact CG-CD2 4.14Å; F104-L108 WeakPolarHBondContact O-CB 3.37Å; L108-R110 PolarHBondContact O-N 3.48Å; L108-L111 HydrophobicContact CD1-CD2 4.26Å; L108-L111 WeakPolarHBondContact O-CB 3.49Å; L108-L111 PolarHBondContact O-N 3.24Å; L108-I112 HydrophobicContact CD1-CD1 4.25Å; L108-I112 HydrophobicContact CD1-CG1 4.33Å; L108-I112 HydrophobicContact CG-CD1 4.04Å; L108-I112 WeakPolarHBondContact O-CG1 3.33Å; L108-I112 PolarHBondContact O-N 3.45Å
109	F	93.3	Very high	92.7	Very high	4 Å²	4	70.2 Å²	70.2	2%	0.018	36%	0.355	C	S	.	.	H	α-helix	trans	-56.8	-50.1	172.2	175.7	-101.8	0	0	0	111.9	M97 S100 R101 G105 L111 I112 M113 L564	M97-F109 HydrophobicContact CB-CE2 4.2Å; M97-F109 HydrophobicContact CB-CZ 4.19Å; M97-F109 HydrophobicContact CG-CE2 4.32Å; M97-F109 HydrophobicContact CG-CZ 4.33Å; S100-F109 WeakPolarHBondContact OG-CD2 3.18Å; S100-F109 WeakPolarHBondContact OG-CE2 3.49Å; R101-F109 HydrophobicContact CB-CD1 4.41Å; R101-F109 HydrophobicContact CB-CD2 4.16Å; R101-F109 HydrophobicContact CB-CE2 4.47Å; R101-F109 HydrophobicContact CB-CG 4.13Å; R101-F109 HydrophobicContact CG-CD1 4.44Å; G105-F109 WeakPolarHBondContact O-CB 3.44Å; G105-F109 PolarHBondContact O-N 3.15Å; G105-F109 VanDerWaalsContact O-N 3.08Å; F109-L111 VanDerWaalsContact C-N 3.3Å; F109-L111 PolarHBondContact O-N 2.98Å; F109-I112 PolarHBondContact O-N 3.04Å; F109-M113 HydrophobicContact CD1-CG 4.26Å; F109-M113 HydrophobicContact CD2-CG 4.31Å; F109-M113 HydrophobicContact CE1-CG 3.85Å; F109-M113 HydrophobicContact CE2-CG 3.9Å; F109-M113 HydrophobicContact CE2-SD 4.06Å; F109-M113 HydrophobicContact CG-CG 4.47Å; F109-M113 HydrophobicContact CZ-CG 3.65Å; F109-M113 HydrophobicContact CZ-SD 4.05Å; F109-M113 VanDerWaalsContact O-CG 3.32Å; F109-M113 WeakPolarHBondContact O-CG 3.47Å; F109-M113 PolarHBondContact O-N 3.38Å; F109-L564 HydrophobicContact CE1-CD1 4.02Å; F109-L564 HydrophobicContact CE1-CD2 3.88Å; F109-L564 HydrophobicContact CZ-CD1 4.19Å; F109-L564 HydrophobicContact CZ-CD2 3.83Å
110	R	93.4	Very high	93	Very high	89 Å²	89	67.6 Å²	67.6	34%	0.336	34%	0.339	S	S	.	.	H	α-helix	trans	-59.4	-40.5	177.1	-76.1	179.3	72.4	-173.1	3.9	112.2	K106 S107 L108 M113 K114 E125 V560 E561	K106-R110 WeakPolarHBondContact O-CB 3.3Å; K106-R110 VanDerWaalsContact O-CG 3.22Å; K106-R110 WeakPolarHBondContact O-CG 3.22Å; K106-R110 PolarHBondContact O-N 2.86Å; S107-R110 PolarHBondContact O-N 3.39Å; L108-R110 PolarHBondContact O-N 3.48Å; R110-M113 PolarHBondContact O-N 2.69Å; R110-K114 WeakPolarHBondContact O-CB 3.19Å; R110-K114 WeakPolarHBondContact O-CG 3.17Å; R110-K114 PolarHBondContact O-N 3.31Å; R110-E125 IonicContact CZ-OE1 2.82Å; R110-E125 IonicContact NH2-OE1 2.75Å; R110-E125 PolarHBondContact NH2-OE1 2.72Å; R110-E125 IonicContact NH2-OE2 3.47Å; R110-E125 PolarHBondContact NH2-OE2 3.11Å; R110-V560 HydrophobicContact CG-CB 4.25Å; R110-V560 HydrophobicContact CG-CG1 4.17Å; R110-E561 WeakPolarHBondContact CG-OE1 3.12Å
111	L	94.3	Very high	93.3	Very high	96 Å²	96	66.3 Å²	66.3	50%	0.503	33%	0.33	S	S	.	.	H	α-helix	trans	-60.9	-50.6	176.1	-179.3	67.5	0	0	0	111.1	S107 L108 F109 M113 K114 M115	S107-L111 PolarHBondContact O-N 2.94Å; L108-L111 HydrophobicContact CD1-CD2 4.26Å; L108-L111 WeakPolarHBondContact O-CB 3.49Å; L108-L111 PolarHBondContact O-N 3.24Å; F109-L111 VanDerWaalsContact C-N 3.3Å; F109-L111 PolarHBondContact O-N 2.98Å; L111-M113 VanDerWaalsContact C-N 3.32Å; L111-M113 PolarHBondContact O-N 2.72Å; L111-K114 PolarHBondContact O-N 3.3Å; L111-M115 HydrophobicContact CD1-SD 4.23Å; L111-M115 HydrophobicContact CG-SD 4.11Å; L111-M115 WeakPolarHBondContact O-CG 3.32Å; L111-M115 PolarHBondContact O-N 2.78Å
112	I	94	Very high	93.6	Very high	70 Å²	70	62.8 Å²	62.8	36%	0.359	32%	0.317	S	S	.	.	H	α-helix	trans	-58.4	-44.9	178.4	-68.5	166.8	0	0	0	110.6	L108 F109 M115 T116	L108-I112 HydrophobicContact CD1-CD1 4.25Å; L108-I112 HydrophobicContact CD1-CG1 4.33Å; L108-I112 HydrophobicContact CG-CD1 4.04Å; L108-I112 WeakPolarHBondContact O-CG1 3.33Å; L108-I112 PolarHBondContact O-N 3.45Å; F109-I112 PolarHBondContact O-N 3.04Å; I112-M115 PolarHBondContact O-N 3.32Å; I112-T116 WeakPolarHBondContact O-CB 3.35Å; I112-T116 WeakPolarHBondContact O-CG2 3.25Å; I112-T116 PolarHBondContact O-N 3.41Å; I112-T116 VanDerWaalsContact O-N 3.09Å; I112-T116 PolarHBondContact O-OG1 3.27Å
113	M	94.4	Very high	93.9	Very high	12 Å²	12	55 Å²	55	6%	0.059	29%	0.286	C	S	.	.	H	α-helix	trans	-61.9	-46.7	178.5	-69.5	-54.4	-67	0	0	111.5	M97 F109 R110 L111 M115 T116 F117 Y118 V560 L564 L567	M97-M113 HydrophobicContact SD-CE 4.31Å; F109-M113 HydrophobicContact CD1-CG 4.26Å; F109-M113 HydrophobicContact CD2-CG 4.31Å; F109-M113 HydrophobicContact CE1-CG 3.85Å; F109-M113 HydrophobicContact CE2-CG 3.9Å; F109-M113 HydrophobicContact CE2-SD 4.06Å; F109-M113 HydrophobicContact CG-CG 4.47Å; F109-M113 HydrophobicContact CZ-CG 3.65Å; F109-M113 HydrophobicContact CZ-SD 4.05Å; F109-M113 VanDerWaalsContact O-CG 3.32Å; F109-M113 WeakPolarHBondContact O-CG 3.47Å; F109-M113 PolarHBondContact O-N 3.38Å; R110-M113 PolarHBondContact O-N 2.69Å; L111-M113 VanDerWaalsContact C-N 3.32Å; L111-M113 PolarHBondContact O-N 2.72Å; M113-M115 PolarHBondContact O-N 3.41Å; M113-T116 CarbonylContact O-C 3.56Å; M113-T116 PolarHBondContact O-N 3.13Å; M113-T116 PolarHBondContact O-OG1 3.08Å; M113-F117 HydrophobicContact CE-CB 3.91Å; M113-F117 PolarHBondContact O-N 3.5Å; M113-Y118 VanDerWaalsContact O-CB 3.23Å; M113-Y118 WeakPolarHBondContact O-CB 3.28Å; M113-Y118 PolarHBondContact O-N 2.85Å; M113-V560 HydrophobicContact CB-CG1 3.84Å; M113-V560 HydrophobicContact CG-CG1 4.36Å; M113-L564 HydrophobicContact CE-CD2 4.23Å; M113-L567 HydrophobicContact CE-CB 4.47Å; M113-L567 HydrophobicContact CE-CD1 3.37Å
114	K	95.2	Very high	94	Very high	83 Å²	83	49.5 Å²	49.5	36%	0.361	26%	0.26	S	S	.	.	H	α-helix	trans	-60.2	-33.9	176.4	-76.3	-176.9	177.9	-172.1	0	112.7	R110 L111 T116 Y118 G119 E125 V560	R110-K114 WeakPolarHBondContact O-CB 3.19Å; R110-K114 WeakPolarHBondContact O-CG 3.17Å; R110-K114 PolarHBondContact O-N 3.31Å; L111-K114 PolarHBondContact O-N 3.3Å; K114-T116 VanDerWaalsContact C-N 3.31Å; K114-Y118 HydrophobicContact CG-CD1 3.86Å; K114-Y118 HydrophobicContact CG-CE1 4.28Å; K114-G119 WeakPolarHBondContact O-CA 3.02Å; K114-G119 PolarHBondContact O-N 3.22Å; K114-E125 WeakPolarHBondContact CE-OE1 3.29Å; K114-E125 IonicContact NZ-OE1 2.91Å; K114-E125 PolarHBondContact NZ-OE1 3.07Å; K114-V560 HydrophobicContact CD-CG2 4.48Å; K114-V560 HydrophobicContact CG-CG2 4.03Å
115	M	95	Very high	94.2	Very high	123 Å²	123	46.4 Å²	46.4	61%	0.606	25%	0.247	S	C	*	.	H	α-helix	trans	-78.2	-13.1	176	-67.9	-178.9	74.2	0	0	113.6	R76 L111 I112 M113	R76-M115 WeakPolarHBondContact CD-O 3.28Å; R76-M115 VanDerWaalsContact CG-O 3.25Å; R76-M115 WeakPolarHBondContact CG-O 3.49Å; L111-M115 HydrophobicContact CD1-SD 4.23Å; L111-M115 HydrophobicContact CG-SD 4.11Å; L111-M115 WeakPolarHBondContact O-CG 3.32Å; L111-M115 PolarHBondContact O-N 2.78Å; I112-M115 PolarHBondContact O-N 3.32Å; M113-M115 PolarHBondContact O-N 3.41Å
116	T	95.1	Very high	94.2	Very high	16 Å²	16	48.8 Å²	48.8	10%	0.098	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.2	-109.8	-174.2	59.6	0	0	0	0	112.1	R76 L79 V80 I112 M113 K114 G119 H120	R76-T116 WeakPolarHBondContact CD-O 3.36Å; L79-T116 HydrophobicContact CD2-CG2 3.97Å; V80-T116 VanDerWaalsContact CG2-C 3.44Å; I112-T116 WeakPolarHBondContact O-CB 3.35Å; I112-T116 WeakPolarHBondContact O-CG2 3.25Å; I112-T116 PolarHBondContact O-N 3.41Å; I112-T116 VanDerWaalsContact O-N 3.09Å; I112-T116 PolarHBondContact O-OG1 3.27Å; M113-T116 CarbonylContact O-C 3.56Å; M113-T116 PolarHBondContact O-N 3.13Å; M113-T116 PolarHBondContact O-OG1 3.08Å; K114-T116 VanDerWaalsContact C-N 3.31Å; T116-G119 PolarHBondContact O-N 3.49Å; T116-H120 VanDerWaalsContact O-CB 3.29Å; T116-H120 WeakPolarHBondContact O-CB 3.5Å; T116-H120 PolarHBondContact O-N 2.91Å; T116-H120 VanDerWaalsContact O-N 3.08Å
117	F	93.8	Very high	94.1	Very high	29 Å²	29	45.7 Å²	45.7	13%	0.127	24%	0.24	C	C	.	.	H	α-helix	trans	-64.3	-44.5	-170.5	-73.8	-94.6	0	0	0	112.8	V80 I83 M113 H120 F121 L567 A571	V80-F117 HydrophobicContact CG1-CD1 4.03Å; V80-F117 HydrophobicContact CG1-CE1 3.98Å; V80-F117 HydrophobicContact CG1-CZ 4.42Å; I83-F117 HydrophobicContact CB-CE2 4.29Å; I83-F117 HydrophobicContact CB-CZ 4.05Å; I83-F117 HydrophobicContact CD1-CE2 4.1Å; I83-F117 HydrophobicContact CG2-CE2 3.9Å; I83-F117 HydrophobicContact CG2-CZ 3.69Å; M113-F117 HydrophobicContact CE-CB 3.91Å; M113-F117 PolarHBondContact O-N 3.5Å; F117-H120 PolarHBondContact O-N 2.96Å; F117-F121 HydrophobicContact CD1-CD2 4.2Å; F117-F121 AromaticContact CD1-CE2 3.88Å; F117-F121 HydrophobicContact CD1-CE2 3.88Å; F117-F121 HydrophobicContact CE1-CE2 4.45Å; F117-F121 WeakPolarHBondContact O-CD2 3.5Å; F117-F121 PolarHBondContact O-N 3.44Å; F117-L567 HydrophobicContact CB-CD1 4.42Å; F117-L567 HydrophobicContact CB-CD2 4.31Å; F117-A571 HydrophobicContact CD1-CB 4.42Å; F117-A571 HydrophobicContact CE1-CB 3.83Å
118	Y	95.6	Very high	94.1	Very high	10 Å²	10	44.2 Å²	44.2	4%	0.039	23%	0.234	C	C	.	.	H	α-helix	trans	-62.8	-52.1	179.5	179.5	-85.8	0	0	0	110.2	M113 K114 H120 F121 V122 G124 E125 G558 V560 V563 L567	M113-Y118 VanDerWaalsContact O-CB 3.23Å; M113-Y118 WeakPolarHBondContact O-CB 3.28Å; M113-Y118 PolarHBondContact O-N 2.85Å; K114-Y118 HydrophobicContact CG-CD1 3.86Å; K114-Y118 HydrophobicContact CG-CE1 4.28Å; Y118-H120 PolarHBondContact O-N 2.96Å; Y118-H120 VanDerWaalsContact O-N 3.13Å; Y118-F121 PolarHBondContact O-N 3.48Å; Y118-V122 HydrophobicContact CD2-CB 3.96Å; Y118-V122 HydrophobicContact CD2-CG1 4.1Å; Y118-V122 HydrophobicContact CD2-CG2 4.27Å; Y118-V122 HydrophobicContact CE1-CG1 4.42Å; Y118-V122 HydrophobicContact CE2-CB 3.93Å; Y118-V122 HydrophobicContact CE2-CG1 3.55Å; Y118-V122 HydrophobicContact CE2-CG2 4.46Å; Y118-V122 HydrophobicContact CG-CB 4.3Å; Y118-V122 WeakPolarHBondContact O-CA 3.43Å; Y118-V122 WeakPolarHBondContact O-CB 3.38Å; Y118-V122 PolarHBondContact O-N 2.93Å; Y118-V122 VanDerWaalsContact O-O 3.07Å; Y118-G124 PolarHBondContact OH-O 2.83Å; Y118-E125 VanDerWaalsContact OH-CA 3.28Å; Y118-E125 WeakPolarHBondContact OH-CA 3.43Å; Y118-E125 WeakPolarHBondContact OH-CG 3.47Å; Y118-E125 PolarHBondContact OH-N 3.39Å; Y118-G558 WeakPolarHBondContact CE2-O 3.33Å; Y118-G558 PolarHBondContact OH-O 2.71Å; Y118-V560 HydrophobicContact CD1-CG2 4.12Å; Y118-V560 HydrophobicContact CD2-CB 4.09Å; Y118-V560 HydrophobicContact CD2-CG1 4.16Å; Y118-V560 HydrophobicContact CD2-CG2 3.73Å; Y118-V560 HydrophobicContact CE1-CG2 4.03Å; Y118-V560 HydrophobicContact CE2-CB 4.13Å; Y118-V560 HydrophobicContact CE2-CG2 3.64Å; Y118-V560 HydrophobicContact CG-CG1 4.5Å; Y118-V560 HydrophobicContact CG-CG2 3.97Å; Y118-V563 HydrophobicContact CD2-CG2 3.55Å; Y118-V563 HydrophobicContact CE2-CG2 3.57Å; Y118-L567 HydrophobicContact CD2-CD1 4.25Å
119	G	96	Very high	94.1	Very high	17 Å²	17	42.9 Å²	42.9	18%	0.175	23%	0.231	C	C	.	.	H	α-helix	trans	-64.7	-20.1	179.9	0	0	0	0	0	113.8	R76 K114 T116	R76-G119 VanDerWaalsContact CZ-C 3.46Å; R76-G119 VanDerWaalsContact NE-C 3.31Å; R76-G119 PolarHBondContact NE-O 3.17Å; R76-G119 PolarHBondContact NH2-O 3.24Å; K114-G119 WeakPolarHBondContact O-CA 3.02Å; K114-G119 PolarHBondContact O-N 3.22Å; T116-G119 PolarHBondContact O-N 3.49Å
120	H	96.1	Very high	94.1	Very high	10 Å²	10	42.7 Å²	42.7	5%	0.046	23%	0.23	C	C	.	.	H	α-helix	trans	-89.5	-42.3	-180	-176	63.4	0	0	0	113.4	R76 A77 V80 F81 T116 F117 Y118 G535	R76-H120 HydrophobicContact CG-CB 4.35Å; A77-H120 VanDerWaalsContact CB-CE1 3.47Å; A77-H120 WeakPolarHBondContact CB-CE1 3.44Å; V80-H120 HydrophobicContact CG2-CB 4.03Å; F81-H120 AromaticContact CE1-NE2 3.93Å; F81-H120 AromaticContact CE2-CE1 3.95Å; F81-H120 AromaticContact CE2-NE2 3.75Å; F81-H120 AromaticContact CZ-CE1 3.96Å; F81-H120 AromaticContact CZ-NE2 3.37Å; F81-H120 WeakPolarHBondContact CZ-NE2 3.35Å; T116-H120 VanDerWaalsContact O-CB 3.29Å; T116-H120 WeakPolarHBondContact O-CB 3.5Å; T116-H120 PolarHBondContact O-N 2.91Å; T116-H120 VanDerWaalsContact O-N 3.08Å; F117-H120 PolarHBondContact O-N 2.96Å; Y118-H120 PolarHBondContact O-N 2.96Å; Y118-H120 VanDerWaalsContact O-N 3.13Å; H120-G535 PolarHBondContact CE1-O 2.54Å; H120-G535 VanDerWaalsContact CE1-O 3.28Å; H120-G535 PolarHBondContact NE2-O 3.39Å; H120-G535 VanDerWaalsContact NE2-O 3.1Å
121	F	95.5	Very high	94	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-103.2	-15.4	-174.7	-64.4	-62.8	0	0	0	114.2	V80 F117 Y118 M536 P556 Y566 L567 R570 N574	V80-F121 HydrophobicContact CG1-CE2 3.66Å; V80-F121 HydrophobicContact CG1-CZ 4.06Å; F117-F121 HydrophobicContact CD1-CD2 4.2Å; F117-F121 AromaticContact CD1-CE2 3.88Å; F117-F121 HydrophobicContact CD1-CE2 3.88Å; F117-F121 HydrophobicContact CE1-CE2 4.45Å; F117-F121 WeakPolarHBondContact O-CD2 3.5Å; F117-F121 PolarHBondContact O-N 3.44Å; Y118-F121 PolarHBondContact O-N 3.48Å; F121-M536 HydrophobicContact CD1-CG 4.48Å; F121-M536 HydrophobicContact CE1-CG 3.88Å; F121-M536 HydrophobicContact CE1-SD 4.41Å; F121-P556 WeakPolarHBondContact O-CG 3.37Å; F121-Y566 HydrophobicContact CB-CE1 4.2Å; F121-L567 HydrophobicContact CB-CD2 4.02Å; F121-L567 HydrophobicContact CD2-CD2 4.48Å; F121-R570 HydrophobicContact CB-CG 4.18Å; F121-R570 HydrophobicContact CD1-CB 4.26Å; F121-R570 HydrophobicContact CD1-CG 4.24Å; F121-R570 HydrophobicContact CD2-CB 3.79Å; F121-R570 HydrophobicContact CD2-CG 4.34Å; F121-R570 HydrophobicContact CE1-CB 4.41Å; F121-R570 HydrophobicContact CE2-CB 3.94Å; F121-R570 HydrophobicContact CG-CB 3.96Å; F121-R570 HydrophobicContact CG-CG 4.02Å; F121-R570 HydrophobicContact CZ-CB 4.25Å; F121-N574 WeakPolarHBondContact CZ-ND2 3.08Å
122	V	96.3	Very high	93.9	Very high	5 Å²	5	43 Å²	43	3%	0.03	24%	0.241	C	C	.	.			trans	-119.8	135.3	-176.4	-178.6	0	0	0	0	110.6	Y118 P556 V563 Y566 L567	Y118-V122 HydrophobicContact CD2-CB 3.96Å; Y118-V122 HydrophobicContact CD2-CG1 4.1Å; Y118-V122 HydrophobicContact CD2-CG2 4.27Å; Y118-V122 HydrophobicContact CE1-CG1 4.42Å; Y118-V122 HydrophobicContact CE2-CB 3.93Å; Y118-V122 HydrophobicContact CE2-CG1 3.55Å; Y118-V122 HydrophobicContact CE2-CG2 4.46Å; Y118-V122 HydrophobicContact CG-CB 4.3Å; Y118-V122 WeakPolarHBondContact O-CA 3.43Å; Y118-V122 WeakPolarHBondContact O-CB 3.38Å; Y118-V122 PolarHBondContact O-N 2.93Å; Y118-V122 VanDerWaalsContact O-O 3.07Å; V122-P556 WeakPolarHBondContact CG1-O 2.87Å; V122-P556 HydrophobicContact CG2-CG 4.19Å; V122-V563 HydrophobicContact CG2-CG2 4.21Å; V122-Y566 HydrophobicContact CG2-CD1 4.03Å; V122-Y566 HydrophobicContact CG2-CE1 4.06Å; V122-L567 HydrophobicContact CG2-CD2 3.76Å; V122-L567 HydrophobicContact CG2-CG 4.49Å
123	A	95.1	Very high	93.9	Very high	16 Å²	16	40.8 Å²	40.8	13%	0.132	23%	0.23	C	C	.	.			trans	-71.9	-33.2	-172.7	0	0	0	0	0	113.7	I130 L133 L534 V555 P556	A123-I130 HydrophobicContact CB-CB 3.99Å; A123-I130 HydrophobicContact CB-CG2 3.52Å; A123-L133 HydrophobicContact CB-CD2 3.61Å; A123-L534 HydrophobicContact CB-CD2 4.13Å; A123-V555 HydrophobicContact CB-CG1 3.43Å; A123-V555 VanDerWaalsContact CB-CG1 3.43Å; A123-P556 WeakPolarHBondContact CB-O 3.47Å; A123-P556 PolarHBondContact N-O 2.72Å
124	G	95	Very high	93.9	Very high	8 Å²	8	40.5 Å²	40.5	8%	0.082	23%	0.228	C	C	.	.			trans	163.2	175.8	-171.5	0	0	0	0	0	112.2	Y118 S129 Y557 G558	Y118-G124 PolarHBondContact OH-O 2.83Å; G124-S129 WeakPolarHBondContact CA-OG 3.19Å; G124-Y557 WeakPolarHBondContact O-CA 3.37Å; G124-Y557 WeakPolarHBondContact O-CB 3.26Å; G124-G558 PolarHBondContact O-N 2.66Å
125	E	94.2	Very high	93.7	Very high	45 Å²	45	40.9 Å²	40.9	21%	0.21	23%	0.232	C	C	.	.	S	Bend	trans	-84.2	-28.6	-173.6	-67.5	-173.3	178.4	0	0	112.6	R110 K114 Y118 S129 G558 V560	R110-E125 IonicContact CZ-OE1 2.82Å; R110-E125 IonicContact NH2-OE1 2.75Å; R110-E125 PolarHBondContact NH2-OE1 2.72Å; R110-E125 IonicContact NH2-OE2 3.47Å; R110-E125 PolarHBondContact NH2-OE2 3.11Å; K114-E125 WeakPolarHBondContact CE-OE1 3.29Å; K114-E125 IonicContact NZ-OE1 2.91Å; K114-E125 PolarHBondContact NZ-OE1 3.07Å; Y118-E125 VanDerWaalsContact OH-CA 3.28Å; Y118-E125 WeakPolarHBondContact OH-CA 3.43Å; Y118-E125 WeakPolarHBondContact OH-CG 3.47Å; Y118-E125 PolarHBondContact OH-N 3.39Å; E125-S129 PolarHBondContact N-OG 2.61Å; E125-G558 WeakPolarHBondContact CA-O 3.36Å; E125-G558 CarbonylContact O-C 3.58Å; E125-G558 WeakPolarHBondContact O-CA 3.43Å; E125-V560 WeakPolarHBondContact OE1-CG2 3.21Å
126	N	91.7	Very high	93.7	Very high	79 Å²	79	37.5 Å²	37.5	42%	0.422	21%	0.213	S	C	.	.	S	Bend	trans	-154.9	174.7	-172.9	58.8	49.4	0	0	0	111.3	A128 S129 I130	N126-A128 PolarHBondContact O-N 2.84Å; N126-A128 PolarHBondContact OD1-N 3Å; N126-S129 PolarHBondContact N-OG 3.48Å; N126-S129 PolarHBondContact O-N 2.6Å; N126-S129 VanDerWaalsContact O-N 3.08Å; N126-S129 PolarHBondContact O-OG 3.4Å; N126-S129 PolarHBondContact OD1-N 2.98Å; N126-S129 PolarHBondContact OD1-OG 3.32Å; N126-I130 WeakPolarHBondContact O-CG2 3.34Å; N126-I130 PolarHBondContact O-N 3.28Å; N126-I130 VanDerWaalsContact O-N 3.15Å
127	E	87.9	Confident	93.6	Very high	68 Å²	68	37 Å²	37	32%	0.318	21%	0.21	S	C	.	.	H	α-helix	trans	-48.6	-50.1	-179.8	178.9	176.2	-177	0	0	113.9	S129 I130 Q131 V225 K228	E127-S129 VanDerWaalsContact C-N 3.27Å; E127-S129 PolarHBondContact O-N 3.42Å; E127-I130 VanDerWaalsContact O-CG1 3.25Å; E127-I130 WeakPolarHBondContact O-CG1 3.41Å; E127-I130 PolarHBondContact O-N 2.74Å; E127-Q131 PolarHBondContact O-N 3.42Å; E127-V225 HydrophobicContact CB-CG2 3.93Å; E127-V225 HydrophobicContact CG-CB 4.36Å; E127-V225 HydrophobicContact CG-CG1 3.88Å; E127-V225 HydrophobicContact CG-CG2 3.55Å; E127-K228 VanDerWaalsContact OE1-CD 3.29Å; E127-K228 WeakPolarHBondContact OE1-CD 3.41Å; E127-K228 WeakPolarHBondContact OE1-CE 3.35Å; E127-K228 IonicContact OE1-NZ 2.75Å; E127-K228 PolarHBondContact OE1-NZ 2.66Å; E127-K228 IonicContact OE2-NZ 3.06Å
128	A	90.3	Very high	93.5	Very high	72 Å²	72	40.4 Å²	40.4	60%	0.595	22%	0.224	S	C	*	.	H	α-helix	trans	-62.1	-38.5	-177.9	0	0	0	0	0	111.6	N126 P132	N126-A128 PolarHBondContact O-N 2.84Å; N126-A128 PolarHBondContact OD1-N 3Å; A128-P132 WeakPolarHBondContact O-CD 3.43Å
129	S	93.3	Very high	93.4	Very high	48 Å²	48	46.6 Å²	46.6	34%	0.336	25%	0.252	S	S	.	.	H	α-helix	trans	-74.7	-24.1	-179.1	67.8	0	0	0	0	114.5	G124 E125 N126 E127	G124-S129 WeakPolarHBondContact CA-OG 3.19Å; E125-S129 PolarHBondContact N-OG 2.61Å; N126-S129 PolarHBondContact N-OG 3.48Å; N126-S129 PolarHBondContact O-N 2.6Å; N126-S129 VanDerWaalsContact O-N 3.08Å; N126-S129 PolarHBondContact O-OG 3.4Å; N126-S129 PolarHBondContact OD1-N 2.98Å; N126-S129 PolarHBondContact OD1-OG 3.32Å; E127-S129 VanDerWaalsContact C-N 3.27Å; E127-S129 PolarHBondContact O-N 3.42Å
130	I	93.7	Very high	93.3	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-88.4	-24	-179.4	65.7	176.7	0	0	0	113.4	A123 N126 E127 P132 L133 I134 L146 V225 Y557	A123-I130 HydrophobicContact CB-CB 3.99Å; A123-I130 HydrophobicContact CB-CG2 3.52Å; N126-I130 WeakPolarHBondContact O-CG2 3.34Å; N126-I130 PolarHBondContact O-N 3.28Å; N126-I130 VanDerWaalsContact O-N 3.15Å; E127-I130 VanDerWaalsContact O-CG1 3.25Å; E127-I130 WeakPolarHBondContact O-CG1 3.41Å; E127-I130 PolarHBondContact O-N 2.74Å; I130-P132 VanDerWaalsContact C-CD 3.5Å; I130-L133 PolarHBondContact O-N 3.09Å; I130-L133 VanDerWaalsContact O-N 3.11Å; I130-I134 HydrophobicContact CB-CD1 4.08Å; I130-I134 HydrophobicContact CD1-CD1 3.77Å; I130-I134 HydrophobicContact CG1-CD1 3.72Å; I130-I134 WeakPolarHBondContact O-CG1 3.46Å; I130-I134 PolarHBondContact O-N 3.24Å; I130-L146 HydrophobicContact CD1-CD1 4.45Å; I130-L146 HydrophobicContact CD1-CD2 4.25Å; I130-V225 HydrophobicContact CD1-CG1 4.07Å; I130-Y557 HydrophobicContact CD1-CD1 4.02Å; I130-Y557 HydrophobicContact CD1-CD2 4.09Å; I130-Y557 HydrophobicContact CD1-CE1 4.34Å; I130-Y557 HydrophobicContact CD1-CE2 4.38Å; I130-Y557 HydrophobicContact CD1-CG 3.89Å; I130-Y557 HydrophobicContact CG2-CD2 4.39Å; I130-Y557 HydrophobicContact CG2-CG 4.13Å
131	Q	91.8	Very high	93.1	Very high	102 Å²	102	49 Å²	49	48%	0.477	27%	0.267	S	S	.	.	H	α-helix	trans	-51.8	-45.8	-178.4	174.3	176.5	11.7	0	0	113.7	E127 L133 I134 M135 Y229	E127-Q131 PolarHBondContact O-N 3.42Å; Q131-L133 VanDerWaalsContact C-N 3.31Å; Q131-L133 PolarHBondContact O-N 3.41Å; Q131-I134 PolarHBondContact O-N 2.94Å; Q131-M135 HydrophobicContact CG-CG 4.17Å; Q131-M135 WeakPolarHBondContact O-CB 3.5Å; Q131-M135 VanDerWaalsContact O-CG 3.28Å; Q131-M135 WeakPolarHBondContact O-CG 3.49Å; Q131-M135 PolarHBondContact O-N 3.31Å; Q131-Y229 HydrophobicContact CG-CE1 4.18Å
132	P	92.8	Very high	93	Very high	89 Å²	89	49 Å²	49	58%	0.578	27%	0.267	S	S	*	.	H	α-helix	trans	-59.8	-40.6	179	-24.8	35.1	0	0	0	113	A128 I130 R136	A128-P132 WeakPolarHBondContact O-CD 3.43Å; I130-P132 VanDerWaalsContact C-CD 3.5Å; P132-R136 VanDerWaalsContact O-CB 3.31Å; P132-R136 WeakPolarHBondContact O-CB 3.29Å; P132-R136 PolarHBondContact O-N 3.42Å
133	L	93.8	Very high	92.9	Very high	25 Å²	25	50.6 Å²	50.6	13%	0.131	27%	0.274	C	S	.	.	H	α-helix	trans	-67.5	-45.7	178.6	178.6	64.4	0	0	0	111	A123 I130 Q131 R136 L137 L534	A123-L133 HydrophobicContact CB-CD2 3.61Å; I130-L133 PolarHBondContact O-N 3.09Å; I130-L133 VanDerWaalsContact O-N 3.11Å; Q131-L133 VanDerWaalsContact C-N 3.31Å; Q131-L133 PolarHBondContact O-N 3.41Å; L133-R136 PolarHBondContact O-N 2.96Å; L133-L137 HydrophobicContact CD1-CG 4.36Å; L133-L137 HydrophobicContact CG-CD1 4.29Å; L133-L137 HydrophobicContact CG-CG 4.45Å; L133-L137 WeakPolarHBondContact O-CG 3.28Å; L133-L137 PolarHBondContact O-N 3.3Å; L133-L534 HydrophobicContact CD2-CD1 4.02Å; L133-L534 HydrophobicContact CD2-CD2 3.7Å
134	I	92.7	Very high	92.9	Very high	5 Å²	5	50.3 Å²	50.3	3%	0.026	27%	0.27	C	S	.	.	H	α-helix	trans	-63	-45.4	-179	-65	165.5	0	0	0	110.8	I130 Q131 R136 L137 K138 L146 Y229	I130-I134 HydrophobicContact CB-CD1 4.08Å; I130-I134 HydrophobicContact CD1-CD1 3.77Å; I130-I134 HydrophobicContact CG1-CD1 3.72Å; I130-I134 WeakPolarHBondContact O-CG1 3.46Å; I130-I134 PolarHBondContact O-N 3.24Å; Q131-I134 PolarHBondContact O-N 2.94Å; I134-R136 VanDerWaalsContact C-N 3.28Å; I134-R136 PolarHBondContact O-N 2.73Å; I134-L137 PolarHBondContact O-N 3.19Å; I134-K138 WeakPolarHBondContact O-CB 3.35Å; I134-K138 PolarHBondContact O-N 3.28Å; I134-L146 HydrophobicContact CD1-CD2 3.74Å; I134-L146 HydrophobicContact CG1-CD2 4.47Å; I134-Y229 HydrophobicContact CB-CE1 4.28Å; I134-Y229 HydrophobicContact CB-CE2 4.39Å; I134-Y229 HydrophobicContact CD1-CE2 3.62Å; I134-Y229 WeakPolarHBondContact CD1-OH 3.43Å; I134-Y229 HydrophobicContact CG2-CD1 3.85Å; I134-Y229 HydrophobicContact CG2-CD2 3.75Å; I134-Y229 HydrophobicContact CG2-CE1 3.91Å; I134-Y229 HydrophobicContact CG2-CE2 3.78Å; I134-Y229 HydrophobicContact CG2-CG 3.78Å
135	M	92.2	Very high	92.9	Very high	91 Å²	91	50 Å²	50	45%	0.448	27%	0.267	S	S	.	.	H	α-helix	trans	-62.2	-38.8	176.8	-70.2	-62	-63.4	0	0	111.6	Q131 K138 K139 Y229	Q131-M135 HydrophobicContact CG-CG 4.17Å; Q131-M135 WeakPolarHBondContact O-CB 3.5Å; Q131-M135 VanDerWaalsContact O-CG 3.28Å; Q131-M135 WeakPolarHBondContact O-CG 3.49Å; Q131-M135 PolarHBondContact O-N 3.31Å; M135-K138 PolarHBondContact O-N 2.75Å; M135-K139 WeakPolarHBondContact O-CB 3.5Å; M135-K139 PolarHBondContact O-N 2.67Å; M135-Y229 HydrophobicContact CG-CE1 4.47Å; M135-Y229 HydrophobicContact SD-CD1 3.88Å; M135-Y229 HydrophobicContact SD-CE1 4.31Å
136	R	93.8	Very high	92.9	Very high	52 Å²	52	48 Å²	48	20%	0.196	26%	0.257	C	S	.	.	H	α-helix	trans	-66.3	-47.1	174.5	-175.3	175.4	61.1	176.9	4.7	111.9	A68 E73 P132 L133 I134 K138 K139 Y140	A68-R136 VanDerWaalsContact O-CD 3.28Å; A68-R136 WeakPolarHBondContact O-CD 3.17Å; A68-R136 PolarHBondContact O-NE 2.91Å; E73-R136 IonicContact OE1-CZ 3.63Å; E73-R136 IonicContact OE1-NH1 3.59Å; E73-R136 PolarHBondContact OE1-NH1 3.06Å; E73-R136 IonicContact OE1-NH2 3.7Å; E73-R136 PolarHBondContact OE1-NH2 2.65Å; E73-R136 IonicContact OE2-CZ 2.71Å; E73-R136 IonicContact OE2-NH1 3.87Å; E73-R136 PolarHBondContact OE2-NH1 3.39Å; E73-R136 IonicContact OE2-NH2 2.77Å; E73-R136 PolarHBondContact OE2-NH2 3.36Å; P132-R136 VanDerWaalsContact O-CB 3.31Å; P132-R136 WeakPolarHBondContact O-CB 3.29Å; P132-R136 PolarHBondContact O-N 3.42Å; L133-R136 PolarHBondContact O-N 2.96Å; I134-R136 VanDerWaalsContact C-N 3.28Å; I134-R136 PolarHBondContact O-N 2.73Å; R136-K138 VanDerWaalsContact C-N 3.26Å; R136-K138 PolarHBondContact O-N 3.1Å; R136-K139 WeakPolarHBondContact O-CB 3.37Å; R136-K139 PolarHBondContact O-N 3.11Å; R136-Y140 HydrophobicContact CG-CD2 4.34Å; R136-Y140 HydrophobicContact CG-CE2 4.32Å; R136-Y140 VanDerWaalsContact O-CD2 3.32Å; R136-Y140 WeakPolarHBondContact O-CD2 3.39Å; R136-Y140 PolarHBondContact O-N 3.12Å
137	L	94.1	Very high	93	Very high	7 Å²	7	44.3 Å²	44.3	4%	0.037	24%	0.238	C	C	.	.	H	α-helix	trans	-55.6	-45.7	175.2	-70.3	176.2	0	0	0	110.8	L133 I134 K139 Y140 G141 V142 F542 K553 V555	L133-L137 HydrophobicContact CD1-CG 4.36Å; L133-L137 HydrophobicContact CG-CD1 4.29Å; L133-L137 HydrophobicContact CG-CG 4.45Å; L133-L137 WeakPolarHBondContact O-CG 3.28Å; L133-L137 PolarHBondContact O-N 3.3Å; I134-L137 PolarHBondContact O-N 3.19Å; L137-K139 PolarHBondContact O-N 3.1Å; L137-Y140 CarbonylContact O-C 3.55Å; L137-Y140 WeakPolarHBondContact O-CA 3.35Å; L137-Y140 PolarHBondContact O-N 2.89Å; L137-G141 PolarHBondContact O-N 2.8Å; L137-V142 CarbonylContact C-O 3.44Å; L137-V142 HydrophobicContact CB-CB 4.24Å; L137-V142 HydrophobicContact CB-CG1 4.41Å; L137-V142 WeakPolarHBondContact CB-O 3.4Å; L137-V142 HydrophobicContact CD2-CG1 4.38Å; L137-V142 PolarHBondContact O-N 3.43Å; L137-V142 VanDerWaalsContact O-O 3.13Å; L137-F542 HydrophobicContact CD2-CE1 4.29Å; L137-F542 HydrophobicContact CD2-CZ 3.75Å; L137-K553 HydrophobicContact CD1-CB 4.33Å; L137-V555 HydrophobicContact CD1-CG2 4.18Å
138	K	92.3	Very high	93	Very high	99 Å²	99	43.9 Å²	43.9	43%	0.43	23%	0.234	S	C	.	.	H	α-helix	trans	-61.4	-41.5	177.9	-174.9	-178.5	175	-173.7	0	112.7	I134 M135 R136 Y140 G141 V142 Y229	I134-K138 WeakPolarHBondContact O-CB 3.35Å; I134-K138 PolarHBondContact O-N 3.28Å; M135-K138 PolarHBondContact O-N 2.75Å; R136-K138 VanDerWaalsContact C-N 3.26Å; R136-K138 PolarHBondContact O-N 3.1Å; K138-Y140 PolarHBondContact O-N 3.28Å; K138-G141 PolarHBondContact O-N 3.45Å; K138-V142 WeakPolarHBondContact CA-O 3Å; K138-V142 PolarHBondContact N-O 3.24Å; K138-V142 VanDerWaalsContact N-O 3.1Å; K138-Y229 PolarHBondContact NZ-O 3.4Å
139	K	92.7	Very high	92.7	Very high	141 Å²	141	40.4 Å²	40.4	61%	0.613	21%	0.205	S	C	*	.	H	α-helix	trans	-55.2	-33.5	174.6	178.5	-175.9	174	-175.7	0	111.8	M135 R136 L137 P605	M135-K139 WeakPolarHBondContact O-CB 3.5Å; M135-K139 PolarHBondContact O-N 2.67Å; R136-K139 WeakPolarHBondContact O-CB 3.37Å; R136-K139 PolarHBondContact O-N 3.11Å; L137-K139 PolarHBondContact O-N 3.1Å; K139-P605 PolarHBondContact NZ-OXT 3.48Å
140	Y	93.8	Very high	92	Very high	38 Å²	38	39.4 Å²	39.4	15%	0.149	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	19.4	177.2	-71.6	-93	0	0	0	113.2	A67 A68 R136 L137 K138 V142 F542 S545 Q546 P605	A67-Y140 HydrophobicContact CB-CD1 4.23Å; A67-Y140 HydrophobicContact CB-CE1 3.65Å; A67-Y140 PolarHBondContact O-OH 3.03Å; A68-Y140 HydrophobicContact CB-CD1 4.06Å; A68-Y140 HydrophobicContact CB-CD2 3.56Å; A68-Y140 HydrophobicContact CB-CE1 4.35Å; A68-Y140 HydrophobicContact CB-CE2 3.9Å; A68-Y140 HydrophobicContact CB-CG 3.65Å; R136-Y140 HydrophobicContact CG-CD2 4.34Å; R136-Y140 HydrophobicContact CG-CE2 4.32Å; R136-Y140 VanDerWaalsContact O-CD2 3.32Å; R136-Y140 WeakPolarHBondContact O-CD2 3.39Å; R136-Y140 PolarHBondContact O-N 3.12Å; L137-Y140 CarbonylContact O-C 3.55Å; L137-Y140 WeakPolarHBondContact O-CA 3.35Å; L137-Y140 PolarHBondContact O-N 2.89Å; K138-Y140 PolarHBondContact O-N 3.28Å; Y140-V142 VanDerWaalsContact C-N 3.34Å; Y140-V142 PolarHBondContact O-N 2.83Å; Y140-F542 HydrophobicContact CG-CE1 4.49Å; Y140-S545 PolarHBondContact O-OG 3.41Å; Y140-Q546 PolarHBondContact O-NE2 2.94Å; Y140-P605 HydrophobicContact CE2-CB 3.98Å; Y140-P605 WeakPolarHBondContact OH-CB 3.4Å
141	G	92.2	Very high	91.2	Very high	38 Å²	38	40.1 Å²	40.1	39%	0.392	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.6	12.4	173.4	0	0	0	0	0	115.6	L137 K138 S545	L137-G141 PolarHBondContact O-N 2.8Å; K138-G141 PolarHBondContact O-N 3.45Å; G141-S545 WeakPolarHBondContact CA-OG 3.38Å; G141-S545 PolarHBondContact O-OG 3.31Å
142	V	94.2	Very high	90.2	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	125.7	-179.4	177.6	0	0	0	0	110.1	L137 K138 Y140 F542 V551 K553	L137-V142 CarbonylContact C-O 3.44Å; L137-V142 HydrophobicContact CB-CB 4.24Å; L137-V142 HydrophobicContact CB-CG1 4.41Å; L137-V142 WeakPolarHBondContact CB-O 3.4Å; L137-V142 HydrophobicContact CD2-CG1 4.38Å; L137-V142 PolarHBondContact O-N 3.43Å; L137-V142 VanDerWaalsContact O-O 3.13Å; K138-V142 WeakPolarHBondContact CA-O 3Å; K138-V142 PolarHBondContact N-O 3.24Å; K138-V142 VanDerWaalsContact N-O 3.1Å; Y140-V142 VanDerWaalsContact C-N 3.34Å; Y140-V142 PolarHBondContact O-N 2.83Å; V142-F542 HydrophobicContact CB-CE1 4.32Å; V142-F542 HydrophobicContact CG2-CD1 3.71Å; V142-F542 HydrophobicContact CG2-CE1 3.66Å; V142-F542 HydrophobicContact CG2-CZ 4.42Å; V142-V551 HydrophobicContact CG1-CG1 4.32Å; V142-V551 HydrophobicContact CG2-CB 4.47Å; V142-V551 HydrophobicContact CG2-CG1 4.26Å; V142-K553 HydrophobicContact CG1-CB 4.3Å; V142-K553 HydrophobicContact CG1-CG 3.61Å
143	K	93.9	Very high	89.3	Confident	40 Å²	40	40.2 Å²	40.2	17%	0.174	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	172.5	179.5	-61.7	166.6	-171.9	169.4	0	111.1	D232 S550 V551 Y552 K553	K143-D232 VanDerWaalsContact CE-CG 3.46Å; K143-D232 WeakPolarHBondContact CE-OD2 2.94Å; K143-D232 IonicContact NZ-OD1 2.69Å; K143-D232 PolarHBondContact NZ-OD1 3.18Å; K143-D232 IonicContact NZ-OD2 3.17Å; K143-D232 PolarHBondContact NZ-OD2 3.33Å; K143-S550 PolarHBondContact NZ-OG 3.43Å; K143-V551 PolarHBondContact N-O 3.11Å; K143-Y552 HydrophobicContact CB-CD1 3.44Å; K143-Y552 VanDerWaalsContact CB-CD1 3.44Å; K143-Y552 HydrophobicContact CB-CE1 3.4Å; K143-Y552 HydrophobicContact CB-CG 4.07Å; K143-Y552 HydrophobicContact CD-CD1 4.36Å; K143-Y552 HydrophobicContact CD-CE1 3.57Å; K143-Y552 HydrophobicContact CD-CE2 3.96Å; K143-Y552 WeakPolarHBondContact CD-OH 3.31Å; K143-Y552 HydrophobicContact CG-CE1 4.15Å; K143-Y552 PolarHBondContact NZ-OH 3.49Å; K143-Y552 CarbonylContact O-C 3.58Å; K143-Y552 VanDerWaalsContact O-CA 3.28Å; K143-Y552 WeakPolarHBondContact O-CA 3.25Å; K143-K553 PolarHBondContact O-N 3.4Å
144	S	94.2	Very high	88.7	Confident	9 Å²	9	39.7 Å²	39.7	6%	0.063	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	141.9	-177.1	-57.7	0	0	0	0	112.4	G234 F235 K553	S144-G234 WeakPolarHBondContact O-CA 3.32Å; S144-F235 PolarHBondContact O-N 3.41Å; S144-F235 VanDerWaalsContact O-N 3.13Å; S144-K553 CarbonylContact C-O 3.59Å; S144-K553 WeakPolarHBondContact CA-O 3.09Å
145	I	95.2	Very high	88.3	Confident	3 Å²	3	46 Å²	46	2%	0.015	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	104.6	161.3	-48	165.7	0	0	0	105.3	F235 A237 M382 M500 Y552 K553 Y554 V555	I145-F235 CarbonylContact C-O 3.52Å; I145-F235 VanDerWaalsContact CA-O 3.31Å; I145-F235 WeakPolarHBondContact CA-O 3.23Å; I145-F235 HydrophobicContact CB-CB 4.05Å; I145-F235 HydrophobicContact CG1-CB 3.96Å; I145-F235 HydrophobicContact CG1-CD2 4.23Å; I145-F235 HydrophobicContact CG1-CG 4.4Å; I145-F235 HydrophobicContact CG2-CB 3.68Å; I145-A237 HydrophobicContact CG2-CB 4.15Å; I145-M382 HydrophobicContact CD1-CE 4.38Å; I145-M382 HydrophobicContact CD1-SD 4.19Å; I145-M382 HydrophobicContact CG2-SD 4.32Å; I145-M500 HydrophobicContact CD1-CE 3.68Å; I145-M500 HydrophobicContact CD1-SD 3.52Å; I145-M500 VanDerWaalsContact CD1-SD 3.52Å; I145-M500 HydrophobicContact CG1-CE 4.26Å; I145-Y552 HydrophobicContact CG1-CD1 4.08Å; I145-Y552 HydrophobicContact CG1-CG 4.31Å; I145-K553 PolarHBondContact N-O 3.17Å; I145-Y554 HydrophobicContact CB-CD2 4.2Å; I145-Y554 HydrophobicContact CD1-CD2 4.48Å; I145-Y554 HydrophobicContact CG2-CD2 3.91Å; I145-Y554 HydrophobicContact CG2-CE2 4.26Å; I145-V555 PolarHBondContact O-N 3.3Å
146	L	94.6	Very high	88	Confident	1 Å²	1	45.8 Å²	45.8	1%	0.005	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	135.7	-178.4	-64.8	-170	0	0	0	111	I130 I134 V225 S226 F235 A237 V555	I130-L146 HydrophobicContact CD1-CD1 4.45Å; I130-L146 HydrophobicContact CD1-CD2 4.25Å; I134-L146 HydrophobicContact CD1-CD2 3.74Å; I134-L146 HydrophobicContact CG1-CD2 4.47Å; L146-V225 HydrophobicContact CD1-CB 3.77Å; L146-V225 HydrophobicContact CD1-CG1 3.59Å; L146-S226 VanDerWaalsContact CD1-OG 3.31Å; L146-S226 WeakPolarHBondContact CD1-OG 3.5Å; L146-S226 WeakPolarHBondContact CG-OG 3.5Å; L146-F235 PolarHBondContact N-O 3.04Å; L146-A237 PolarHBondContact O-N 3.33Å; L146-V555 HydrophobicContact CD2-CB 4.03Å; L146-V555 HydrophobicContact CD2-CG1 4.07Å
147	D	92.8	Very high	87.8	Confident	2 Å²	2	48.7 Å²	48.7	1%	0.011	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	121.3	171.3	176.6	43.4	0	0	0	110.2	S149 R202 A237 Y554 V555 P556 Y557	D147-S149 PolarHBondContact O-N 3.03Å; D147-S149 VanDerWaalsContact O-N 3.15Å; D147-S149 PolarHBondContact O-OG 3.2Å; D147-S149 PolarHBondContact OD2-OG 3.18Å; D147-R202 IonicContact OD1-CZ 3.82Å; D147-R202 IonicContact OD1-NH1 2.84Å; D147-R202 PolarHBondContact OD1-NH1 2.92Å; D147-R202 IonicContact OD1-NH2 3.62Å; D147-R202 PolarHBondContact OD1-NH2 2.94Å; D147-R202 IonicContact OD2-NH1 3.07Å; D147-A237 HydrophobicContact CB-CB 4.34Å; D147-Y554 HydrophobicContact CB-CD1 4.25Å; D147-Y554 HydrophobicContact CB-CE1 3.37Å; D147-Y554 HydrophobicContact CB-CE2 4.33Å; D147-Y554 VanDerWaalsContact CB-CZ 3.44Å; D147-Y554 WeakPolarHBondContact CB-OH 3.21Å; D147-Y554 PolarHBondContact OD2-OH 3.34Å; D147-V555 PolarHBondContact N-O 2.85Å; D147-V555 VanDerWaalsContact N-O 3.12Å; D147-P556 CarbonylContact O-C 3.55Å; D147-P556 VanDerWaalsContact O-CA 3.28Å; D147-P556 WeakPolarHBondContact O-CA 3.24Å; D147-Y557 VanDerWaalsContact O-CD1 3.23Å; D147-Y557 WeakPolarHBondContact O-CD1 3.4Å; D147-Y557 PolarHBondContact O-N 3.23Å
148	Y	88.3	Confident	87.7	Confident	59 Å²	59	52 Å²	52	23%	0.231	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	90.2	171.4	-174.3	-108.4	0	0	0	110.1	V150 R202 T218 C222 Y557	Y148-V150 HydrophobicContact CD1-CB 3.91Å; Y148-V150 HydrophobicContact CD1-CG2 3.82Å; Y148-V150 HydrophobicContact CE1-CB 3.55Å; Y148-V150 HydrophobicContact CE1-CG1 4.38Å; Y148-V150 HydrophobicContact CE1-CG2 3.19Å; Y148-V150 HydrophobicContact CE2-CG2 3.99Å; Y148-V150 HydrophobicContact CG-CG2 4.49Å; Y148-V150 PolarHBondContact O-N 3.21Å; Y148-V150 WeakPolarHBondContact OH-CG2 3.49Å; Y148-R202 PolarHBondContact O-NH1 3.29Å; Y148-T218 HydrophobicContact CD1-CG2 3.13Å; Y148-T218 HydrophobicContact CE1-CG2 3.63Å; Y148-T218 HydrophobicContact CG-CG2 3.69Å; Y148-C222 VanDerWaalsContact CB-SG 3.53Å; Y148-Y557 CarbonylContact C-O 3.38Å; Y148-Y557 WeakPolarHBondContact CA-O 3.28Å; Y148-Y557 HydrophobicContact CD2-CD1 4.5Å; Y148-Y557 AromaticContact CD2-CD2 3.8Å; Y148-Y557 HydrophobicContact CD2-CD2 3.8Å; Y148-Y557 HydrophobicContact CD2-CE1 4.13Å; Y148-Y557 AromaticContact CD2-CE2 3.39Å; Y148-Y557 HydrophobicContact CD2-CE2 3.39Å; Y148-Y557 HydrophobicContact CD2-CG 4.34Å; Y148-Y557 AromaticContact CD2-CZ 3.57Å; Y148-Y557 HydrophobicContact CE2-CD2 4.29Å; Y148-Y557 AromaticContact CE2-CE2 3.96Å; Y148-Y557 HydrophobicContact CE2-CE2 3.96Å; Y148-Y557 HydrophobicContact CG-CE2 4.44Å
149	S	84.3	Confident	87.6	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.232	C	C	.	.			trans	-82.1	35.6	-165.9	-46.3	0	0	0	0	114.4	D147 E151 P556 Y557	D147-S149 PolarHBondContact O-N 3.03Å; D147-S149 VanDerWaalsContact O-N 3.15Å; D147-S149 PolarHBondContact O-OG 3.2Å; D147-S149 PolarHBondContact OD2-OG 3.18Å; S149-E151 PolarHBondContact O-N 3.35Å; S149-P556 WeakPolarHBondContact OG-CA 3.49Å; S149-P556 WeakPolarHBondContact OG-CB 3.47Å; S149-Y557 PolarHBondContact N-O 3.48Å
150	V	79.5	Confident	87.6	Confident	26 Å²	26	41.9 Å²	41.9	16%	0.158	21%	0.211	C	C	.	.			trans	-71.3	124.7	172	164.6	0	0	0	0	109.8	Y148 E562	Y148-V150 HydrophobicContact CD1-CB 3.91Å; Y148-V150 HydrophobicContact CD1-CG2 3.82Å; Y148-V150 HydrophobicContact CE1-CB 3.55Å; Y148-V150 HydrophobicContact CE1-CG1 4.38Å; Y148-V150 HydrophobicContact CE1-CG2 3.19Å; Y148-V150 HydrophobicContact CE2-CG2 3.99Å; Y148-V150 HydrophobicContact CG-CG2 4.49Å; Y148-V150 PolarHBondContact O-N 3.21Å; Y148-V150 WeakPolarHBondContact OH-CG2 3.49Å; V150-E562 HydrophobicContact CB-CB 4.28Å; V150-E562 HydrophobicContact CG1-CB 4.04Å; V150-E562 HydrophobicContact CG1-CG 4.44Å; V150-E562 WeakPolarHBondContact CG1-OE2 3.37Å; V150-E562 HydrophobicContact CG2-CB 3.83Å; V150-E562 WeakPolarHBondContact CG2-OE2 2.92Å
151	E	75.5	Confident	87.6	Confident	15 Å²	15	45.5 Å²	45.5	7%	0.07	23%	0.229	C	C	.	.			trans	-134.4	147.4	-174.9	-64	-173.5	-146.4	0	0	111.5	S149 R202 E562 P565 R569	S149-E151 PolarHBondContact O-N 3.35Å; E151-R202 VanDerWaalsContact CD-CG 3.45Å; E151-R202 HydrophobicContact CG-CB 4.26Å; E151-R202 HydrophobicContact CG-CG 3.58Å; E151-R202 VanDerWaalsContact OE1-CB 3.31Å; E151-R202 WeakPolarHBondContact OE1-CB 3.33Å; E151-E562 PolarHBondContact N-O 3.27Å; E151-P565 HydrophobicContact CB-CB 4.11Å; E151-P565 HydrophobicContact CB-CG 3.97Å; E151-R569 IonicContact OE1-CZ 3.09Å; E151-R569 IonicContact OE1-NH1 2.61Å; E151-R569 IonicContact OE1-NH2 2.66Å; E151-R569 PolarHBondContact OE1-NH2 3.12Å; E151-R569 IonicContact OE2-CZ 3.89Å; E151-R569 IonicContact OE2-NH1 3.77Å; E151-R569 PolarHBondContact OE2-NH1 3.14Å; E151-R569 IonicContact OE2-NH2 3.56Å; E151-R569 PolarHBondContact OE2-NH2 3.17Å
152	K	71.5	Confident	87.6	Confident	122 Å²	122	45.1 Å²	45.1	53%	0.53	22%	0.218	S	C	.	.			trans	-119.3	115.7	171.9	-65.7	-175.2	-179.6	178.2	0	108.1
153	D	73.5	Confident	87.5	Confident	71 Å²	71	45.4 Å²	45.4	38%	0.38	22%	0.219	S	C	.	.			trans	-74.7	132.6	160.7	-77.5	-9.6	0	0	0	107.1	K94	K94-D153 IonicContact NZ-OD1 2.83Å; K94-D153 IonicContact NZ-OD2 2.72Å; K94-D153 PolarHBondContact NZ-OD2 3.4Å
154	I	81.4	Confident	87.4	Confident	15 Å²	15	48.1 Å²	48.1	8%	0.077	23%	0.231	C	C	.	.			trans	-116.6	161.4	172.9	64	171.6	0	0	0	109.2	E158 A159 I162 F205	I154-E158 HydrophobicContact CB-CB 4.41Å; I154-E158 HydrophobicContact CB-CG 4.4Å; I154-E158 HydrophobicContact CD1-CG 4.36Å; I154-A159 HydrophobicContact CD1-CB 3.66Å; I154-A159 HydrophobicContact CG1-CB 4.15Å; I154-I162 HydrophobicContact CD1-CD1 3.75Å; I154-F205 HydrophobicContact CD1-CB 3.98Å; I154-F205 HydrophobicContact CD1-CD1 3.37Å; I154-F205 HydrophobicContact CD1-CD2 3.62Å; I154-F205 HydrophobicContact CD1-CE1 3.6Å; I154-F205 HydrophobicContact CD1-CE2 3.83Å; I154-F205 HydrophobicContact CD1-CG 3.36Å; I154-F205 HydrophobicContact CD1-CZ 3.8Å; I154-F205 HydrophobicContact CG1-CD1 4.22Å; I154-F205 HydrophobicContact CG1-CD2 3.74Å; I154-F205 HydrophobicContact CG1-CE1 4.07Å; I154-F205 HydrophobicContact CG1-CE2 3.58Å; I154-F205 HydrophobicContact CG1-CG 4.05Å; I154-F205 HydrophobicContact CG1-CZ 3.73Å; I154-F205 HydrophobicContact CG2-CD2 4.37Å
155	Q	84.7	Confident	87.4	Confident	137 Å²	137	53.4 Å²	53.4	64%	0.64	25%	0.253	S	S	*	.			trans	-73	154.8	175.3	-60.3	-59.8	-49.6	0	0	111	D157 E158 A159	Q155-D157 VanDerWaalsContact C-N 3.29Å; Q155-D157 WeakPolarHBondContact CB-OD1 3.41Å; Q155-D157 PolarHBondContact O-N 3.48Å; Q155-E158 HydrophobicContact CB-CB 4.47Å; Q155-E158 WeakPolarHBondContact O-CB 3.35Å; Q155-E158 PolarHBondContact O-N 3.37Å; Q155-A159 PolarHBondContact O-N 3.2Å
156	E	85.6	Confident	87.2	Confident	87 Å²	87	53.3 Å²	53.3	41%	0.407	25%	0.253	S	S	.	.	H	α-helix	trans	-62.7	-36.4	-176.6	-175.2	164.8	-171.1	0	0	111.9	A159 V160 D193 K196	E156-A159 PolarHBondContact O-N 3.45Å; E156-V160 VanDerWaalsContact O-CG2 3.32Å; E156-V160 WeakPolarHBondContact O-CG2 3.42Å; E156-V160 PolarHBondContact O-N 2.93Å; E156-D193 HydrophobicContact CG-CB 4.36Å; E156-K196 IonicContact OE1-NZ 3.31Å; E156-K196 PolarHBondContact OE1-NZ 2.86Å; E156-K196 IonicContact OE2-NZ 3.68Å; E156-K196 PolarHBondContact OE2-NZ 3.43Å
157	D	89.9	Confident	86.9	Confident	112 Å²	112	54.9 Å²	54.9	60%	0.599	26%	0.261	S	S	*	.	H	α-helix	trans	-65.9	-43.9	173.3	62.3	-37.2	0	0	0	112.2	Q155 A159 V160 Q161	Q155-D157 VanDerWaalsContact C-N 3.29Å; Q155-D157 WeakPolarHBondContact CB-OD1 3.41Å; Q155-D157 PolarHBondContact O-N 3.48Å; D157-A159 VanDerWaalsContact C-N 3.33Å; D157-A159 PolarHBondContact O-N 2.91Å; D157-V160 PolarHBondContact O-N 3.11Å; D157-Q161 WeakPolarHBondContact O-CG 3.21Å; D157-Q161 PolarHBondContact O-N 3.35Å
158	E	91.6	Very high	86.9	Confident	76 Å²	76	59.1 Å²	59.1	36%	0.355	29%	0.291	S	S	.	.	H	α-helix	trans	-59.2	-44.9	173.6	-172.7	-176.1	167.7	0	0	110.9	I154 Q155 V160 Q161 I162	I154-E158 HydrophobicContact CB-CB 4.41Å; I154-E158 HydrophobicContact CB-CG 4.4Å; I154-E158 HydrophobicContact CD1-CG 4.36Å; Q155-E158 HydrophobicContact CB-CB 4.47Å; Q155-E158 WeakPolarHBondContact O-CB 3.35Å; Q155-E158 PolarHBondContact O-N 3.37Å; E158-V160 VanDerWaalsContact C-N 3.35Å; E158-V160 PolarHBondContact O-N 3.02Å; E158-Q161 PolarHBondContact O-N 2.9Å; E158-I162 HydrophobicContact CG-CD1 4.17Å; E158-I162 WeakPolarHBondContact O-CG1 3.42Å; E158-I162 PolarHBondContact O-N 3.15Å
159	A	90	Very high	87.1	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-59.5	-45.2	176.9	0	0	0	0	0	111.7	I154 Q155 E156 D157 Q161 I162 V163 A192 D193 F205	I154-A159 HydrophobicContact CD1-CB 3.66Å; I154-A159 HydrophobicContact CG1-CB 4.15Å; Q155-A159 PolarHBondContact O-N 3.2Å; E156-A159 PolarHBondContact O-N 3.45Å; D157-A159 VanDerWaalsContact C-N 3.33Å; D157-A159 PolarHBondContact O-N 2.91Å; A159-Q161 VanDerWaalsContact C-N 3.34Å; A159-Q161 PolarHBondContact O-N 3.02Å; A159-I162 PolarHBondContact O-N 3.2Å; A159-V163 WeakPolarHBondContact O-CG2 3.35Å; A159-V163 PolarHBondContact O-N 2.92Å; A159-A192 HydrophobicContact CB-CB 4.39Å; A159-D193 HydrophobicContact CB-CB 3.99Å; A159-F205 HydrophobicContact CB-CE1 3.97Å
160	V	92.6	Very high	87.3	Confident	28 Å²	28	59.4 Å²	59.4	17%	0.17	29%	0.294	C	S	.	.	H	α-helix	trans	-59.2	-43.8	176.2	163.1	0	0	0	0	111.4	E156 D157 E158 V163 K164 I189 A192	E156-V160 VanDerWaalsContact O-CG2 3.32Å; E156-V160 WeakPolarHBondContact O-CG2 3.42Å; E156-V160 PolarHBondContact O-N 2.93Å; D157-V160 PolarHBondContact O-N 3.11Å; E158-V160 VanDerWaalsContact C-N 3.35Å; E158-V160 PolarHBondContact O-N 3.02Å; V160-V163 PolarHBondContact O-N 3.08Å; V160-K164 HydrophobicContact CG1-CD 4.04Å; V160-K164 HydrophobicContact CG1-CG 4.43Å; V160-K164 WeakPolarHBondContact O-CB 3.46Å; V160-K164 WeakPolarHBondContact O-CG 3.21Å; V160-K164 PolarHBondContact O-N 2.96Å; V160-I189 HydrophobicContact CB-CG2 4.32Å; V160-I189 HydrophobicContact CG1-CG2 3.64Å; V160-I189 HydrophobicContact CG2-CG2 4Å; V160-A192 HydrophobicContact CG2-CB 3.96Å
161	Q	93.7	Very high	87.8	Confident	115 Å²	115	58.6 Å²	58.6	54%	0.537	29%	0.289	S	S	.	.	H	α-helix	trans	-65.8	-41.2	178.8	-64.8	-54.2	-27.6	0	0	112.2	D157 E158 A159 V163 K164 K165	D157-Q161 WeakPolarHBondContact O-CG 3.21Å; D157-Q161 PolarHBondContact O-N 3.35Å; E158-Q161 PolarHBondContact O-N 2.9Å; A159-Q161 VanDerWaalsContact C-N 3.34Å; A159-Q161 PolarHBondContact O-N 3.02Å; Q161-V163 VanDerWaalsContact C-N 3.32Å; Q161-V163 PolarHBondContact O-N 3.1Å; Q161-K164 PolarHBondContact O-N 2.79Å; Q161-K165 VanDerWaalsContact O-CB 3.29Å; Q161-K165 WeakPolarHBondContact O-CB 3.45Å; Q161-K165 PolarHBondContact O-N 3.26Å
162	I	92	Very high	88.2	Confident	29 Å²	29	63 Å²	63	15%	0.149	31%	0.31	C	S	.	.	H	α-helix	trans	-59.1	-44.3	175.7	-69.1	168.8	0	0	0	110.9	I154 E158 A159 S166 F205 Y206	I154-I162 HydrophobicContact CD1-CD1 3.75Å; E158-I162 HydrophobicContact CG-CD1 4.17Å; E158-I162 WeakPolarHBondContact O-CG1 3.42Å; E158-I162 PolarHBondContact O-N 3.15Å; A159-I162 PolarHBondContact O-N 3.2Å; I162-S166 WeakPolarHBondContact O-CB 3.15Å; I162-S166 PolarHBondContact O-N 3.08Å; I162-S166 PolarHBondContact O-OG 3.39Å; I162-F205 HydrophobicContact CD1-CB 4.18Å; I162-Y206 WeakPolarHBondContact CG2-O 3.49Å
163	V	91.7	Very high	88.7	Confident	6 Å²	6	62.2 Å²	62.2	4%	0.036	32%	0.315	C	S	.	.	H	α-helix	trans	-67.4	-47.1	178.8	175.8	0	0	0	0	111.1	A159 V160 Q161 K165 S166 L167 I187 A192	A159-V163 WeakPolarHBondContact O-CG2 3.35Å; A159-V163 PolarHBondContact O-N 2.92Å; V160-V163 PolarHBondContact O-N 3.08Å; Q161-V163 VanDerWaalsContact C-N 3.32Å; Q161-V163 PolarHBondContact O-N 3.1Å; V163-K165 VanDerWaalsContact C-N 3.35Å; V163-K165 PolarHBondContact O-N 3.03Å; V163-S166 PolarHBondContact O-N 3.23Å; V163-L167 HydrophobicContact CG1-CD1 4.27Å; V163-L167 HydrophobicContact CG1-CG 4.37Å; V163-L167 WeakPolarHBondContact O-CG 3.35Å; V163-L167 PolarHBondContact O-N 3.32Å; V163-I187 HydrophobicContact CG1-CG2 3.85Å; V163-A192 HydrophobicContact CB-CB 4.02Å; V163-A192 HydrophobicContact CG2-CB 3.53Å
164	K	93.2	Very high	88.9	Confident	98 Å²	98	59.5 Å²	59.5	43%	0.426	30%	0.301	S	S	.	.	H	α-helix	trans	-57.8	-46.4	178	-77.3	179.7	176.6	-177.4	0	112.2	V160 Q161 S166 L167 S168 I189	V160-K164 HydrophobicContact CG1-CD 4.04Å; V160-K164 HydrophobicContact CG1-CG 4.43Å; V160-K164 WeakPolarHBondContact O-CB 3.46Å; V160-K164 WeakPolarHBondContact O-CG 3.21Å; V160-K164 PolarHBondContact O-N 2.96Å; Q161-K164 PolarHBondContact O-N 2.79Å; K164-S166 VanDerWaalsContact C-N 3.34Å; K164-S166 PolarHBondContact O-N 2.86Å; K164-L167 WeakPolarHBondContact O-CB 3.29Å; K164-L167 PolarHBondContact O-N 3.36Å; K164-S168 PolarHBondContact O-N 2.7Å; K164-S168 PolarHBondContact O-OG 2.99Å; K164-I189 HydrophobicContact CG-CD1 3.95Å; K164-I189 HydrophobicContact CG-CG1 4.48Å
165	K	93.1	Very high	88.7	Confident	120 Å²	120	68.5 Å²	68.5	52%	0.522	34%	0.343	S	S	.	.	H	α-helix	trans	-60.8	-43.5	176.2	-178.8	176.7	175.5	179.5	0	111.5	Q161 V163 L167 S168 E169	Q161-K165 VanDerWaalsContact O-CB 3.29Å; Q161-K165 WeakPolarHBondContact O-CB 3.45Å; Q161-K165 PolarHBondContact O-N 3.26Å; V163-K165 VanDerWaalsContact C-N 3.35Å; V163-K165 PolarHBondContact O-N 3.03Å; K165-L167 VanDerWaalsContact C-N 3.35Å; K165-L167 PolarHBondContact O-N 2.78Å; K165-S168 PolarHBondContact O-N 3.21Å; K165-S168 PolarHBondContact O-OG 3.35Å; K165-E169 VanDerWaalsContact CE-CD 3.46Å; K165-E169 WeakPolarHBondContact CE-OE1 3.43Å; K165-E169 HydrophobicContact CG-CG 4.33Å; K165-E169 IonicContact NZ-OE1 3.7Å; K165-E169 WeakPolarHBondContact O-CB 3.38Å; K165-E169 VanDerWaalsContact O-CG 3.3Å; K165-E169 WeakPolarHBondContact O-CG 3.4Å; K165-E169 PolarHBondContact O-N 3.45Å
166	S	90.5	Very high	88.5	Confident	1 Å²	1	65 Å²	65	1%	0.007	33%	0.326	C	S	.	.	H	α-helix	trans	-63.6	-41.3	177.1	-59.5	0	0	0	0	111.9	I162 V163 K164 S168 E169 V170 R245	I162-S166 WeakPolarHBondContact O-CB 3.15Å; I162-S166 PolarHBondContact O-N 3.08Å; I162-S166 PolarHBondContact O-OG 3.39Å; V163-S166 PolarHBondContact O-N 3.23Å; K164-S166 VanDerWaalsContact C-N 3.34Å; K164-S166 PolarHBondContact O-N 2.86Å; S166-S168 VanDerWaalsContact C-N 3.29Å; S166-S168 PolarHBondContact O-N 3.01Å; S166-E169 PolarHBondContact O-N 2.81Å; S166-V170 WeakPolarHBondContact O-CG2 3.32Å; S166-V170 PolarHBondContact O-N 3.19Å; S166-R245 PolarHBondContact OG-NH1 2.98Å; S166-R245 VanDerWaalsContact OG-NH1 3.08Å
167	L	90.2	Very high	88.4	Confident	34 Å²	34	63.2 Å²	63.2	18%	0.178	32%	0.315	C	S	.	.	H	α-helix	trans	-58.4	-40.3	176.1	-72.5	176.7	0	0	0	112.3	V163 K164 K165 L171 I187 I189	V163-L167 HydrophobicContact CG1-CD1 4.27Å; V163-L167 HydrophobicContact CG1-CG 4.37Å; V163-L167 WeakPolarHBondContact O-CG 3.35Å; V163-L167 PolarHBondContact O-N 3.32Å; K164-L167 WeakPolarHBondContact O-CB 3.29Å; K164-L167 PolarHBondContact O-N 3.36Å; K165-L167 VanDerWaalsContact C-N 3.35Å; K165-L167 PolarHBondContact O-N 2.78Å; L167-L171 HydrophobicContact CD2-CD1 3.87Å; L167-I187 HydrophobicContact CD1-CG2 4.24Å; L167-I187 HydrophobicContact CD2-CB 4.04Å; L167-I187 HydrophobicContact CD2-CD1 3.45Å; L167-I187 VanDerWaalsContact CD2-CD1 3.45Å; L167-I187 HydrophobicContact CD2-CG1 4.34Å; L167-I187 HydrophobicContact CD2-CG2 3.81Å; L167-I187 HydrophobicContact CG-CG2 4.32Å; L167-I189 HydrophobicContact CD1-CG1 4.38Å
168	S	91	Very high	87.8	Confident	90 Å²	90	58.5 Å²	58.5	63%	0.629	29%	0.291	S	S	*	.	H	α-helix	trans	-77.4	-28.2	179.2	53.1	0	0	0	0	114.3	K164 K165 S166	K164-S168 PolarHBondContact O-N 2.7Å; K164-S168 PolarHBondContact O-OG 2.99Å; K165-S168 PolarHBondContact O-N 3.21Å; K165-S168 PolarHBondContact O-OG 3.35Å; S166-S168 VanDerWaalsContact C-N 3.29Å; S166-S168 PolarHBondContact O-N 3.01Å
169	E	92.5	Very high	87.2	Confident	66 Å²	66	64 Å²	64	31%	0.308	32%	0.316	S	S	.	.	H	α-helix	trans	-86.5	-41.9	-174.7	-74.1	177	161.3	0	0	112.8	K165 S166 R245 T353	K165-E169 VanDerWaalsContact CE-CD 3.46Å; K165-E169 WeakPolarHBondContact CE-OE1 3.43Å; K165-E169 HydrophobicContact CG-CG 4.33Å; K165-E169 IonicContact NZ-OE1 3.7Å; K165-E169 WeakPolarHBondContact O-CB 3.38Å; K165-E169 VanDerWaalsContact O-CG 3.3Å; K165-E169 WeakPolarHBondContact O-CG 3.4Å; K165-E169 PolarHBondContact O-N 3.45Å; S166-E169 PolarHBondContact O-N 2.81Å; E169-R245 IonicContact OE2-CZ 2.69Å; E169-R245 IonicContact OE2-NH1 3.18Å; E169-R245 PolarHBondContact OE2-NH1 3.12Å; E169-R245 IonicContact OE2-NH2 3.39Å; E169-R245 PolarHBondContact OE2-NH2 3.24Å; E169-T353 PolarHBondContact O-OG1 3.37Å
170	V	89.5	Confident	86.6	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-111.7	-12.3	-168.3	-63.9	0	0	0	0	114.7	S166 L248 T353	S166-V170 WeakPolarHBondContact O-CG2 3.32Å; S166-V170 PolarHBondContact O-N 3.19Å; V170-L248 HydrophobicContact CB-CD2 4.01Å; V170-L248 HydrophobicContact CG2-CD2 4.03Å; V170-L248 HydrophobicContact CG2-CG 4.37Å; V170-T353 VanDerWaalsContact CA-OG1 3.25Å; V170-T353 WeakPolarHBondContact CA-OG1 3.32Å; V170-T353 PolarHBondContact O-N 2.85Å; V170-T353 PolarHBondContact O-OG1 3.34Å
171	L	89	Confident	86	Confident	8 Å²	8	66.3 Å²	66.3	4%	0.042	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	142.5	-177.4	-61	-176.9	0	0	0	112	L167 I187 Q251 T351 L352	L167-L171 HydrophobicContact CD2-CD1 3.87Å; L171-I187 HydrophobicContact CD1-CD1 3.31Å; L171-Q251 HydrophobicContact CD1-CB 4.29Å; L171-Q251 HydrophobicContact CD2-CB 3.88Å; L171-Q251 HydrophobicContact CD2-CG 3.74Å; L171-T351 WeakPolarHBondContact CA-O 3.49Å; L171-L352 HydrophobicContact CD2-CD2 3.47Å; L171-L352 VanDerWaalsContact CD2-CD2 3.47Å
172	Q	85.4	Confident	85.6	Confident	109 Å²	109	62.1 Å²	62.1	51%	0.509	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	111.3	162.3	-70.2	174.3	1.6	0	0	107.8	P350 T351 T353	Q172-P350 WeakPolarHBondContact O-CA 3.45Å; Q172-P350 WeakPolarHBondContact O-CB 3.33Å; Q172-T351 VanDerWaalsContact CB-OG1 3.31Å; Q172-T351 WeakPolarHBondContact CB-OG1 3.48Å; Q172-T351 PolarHBondContact N-O 3.06Å; Q172-T351 PolarHBondContact O-N 3.15Å; Q172-T351 PolarHBondContact OE1-OG1 3.33Å; Q172-T353 HydrophobicContact CG-CG2 3.95Å
173	T	81.6	Confident	85.5	Confident	104 Å²	104	65.7 Å²	65.7	64%	0.638	34%	0.335	S	S	*	.			trans	-77.5	129.6	-179.7	-57.2	0	0	0	0	109
174	P	78.2	Confident	85.6	Confident	15 Å²	15	66.6 Å²	66.6	10%	0.097	34%	0.339	C	S	.	.			trans	-68.7	144.7	179.2	29.8	-36.2	0	0	0	111.2	K176 R177 Q347	P174-K176 VanDerWaalsContact C-N 3.26Å; P174-K176 PolarHBondContact O-N 2.87Å; P174-R177 HydrophobicContact CG-CG 3.62Å; P174-Q347 HydrophobicContact CB-CB 3.63Å; P174-Q347 HydrophobicContact CB-CG 4.37Å
175	E	77.2	Confident	85.5	Confident	204 Å²	204	62.3 Å²	62.3	95%	0.953	32%	0.32	S	S	*	.	S	Bend	trans	-59.3	-40.3	176.2	-67.1	-174.5	169.4	0	0	111.5
176	K	80.8	Confident	85.4	Confident	64 Å²	64	59 Å²	59	28%	0.278	31%	0.306	S	S	.	.			trans	-140.9	133.3	178.5	-164.1	176.9	-178.6	-149.4	0	111.5	P174 E344 E346 Q347	P174-K176 VanDerWaalsContact C-N 3.26Å; P174-K176 PolarHBondContact O-N 2.87Å; K176-E344 HydrophobicContact CD-CB 4.43Å; K176-E344 WeakPolarHBondContact CD-OE2 3.22Å; K176-E344 WeakPolarHBondContact CE-OE2 3.44Å; K176-E344 IonicContact NZ-OE2 3.72Å; K176-E344 PolarHBondContact NZ-OE2 3.35Å; K176-E346 HydrophobicContact CB-CG 4.25Å; K176-E346 HydrophobicContact CD-CG 3.89Å; K176-E346 WeakPolarHBondContact CE-OE1 3.3Å; K176-E346 HydrophobicContact CG-CG 4.01Å; K176-E346 IonicContact NZ-OE1 3.27Å; K176-E346 PolarHBondContact NZ-OE1 3.07Å; K176-E346 WeakPolarHBondContact O-CA 3.5Å; K176-Q347 PolarHBondContact O-N 2.71Å
177	R	82.2	Confident	85.4	Confident	48 Å²	48	61 Å²	61	18%	0.181	32%	0.317	C	S	.	.			trans	-101.4	144.4	170.2	-62.7	-165.8	72.1	163.9	-5.7	110.2	P174 Q186 D254 L348	P174-R177 HydrophobicContact CG-CG 3.62Å; R177-Q186 VanDerWaalsContact NH1-CG 3.32Å; R177-D254 IonicContact CZ-OD2 3.21Å; R177-D254 IonicContact NH1-OD2 2.68Å; R177-D254 PolarHBondContact NH1-OD2 2.98Å; R177-D254 IonicContact NH2-OD1 2.81Å; R177-D254 PolarHBondContact NH2-OD1 2.6Å; R177-D254 IonicContact NH2-OD2 3.46Å; R177-D254 PolarHBondContact NH2-OD2 3.29Å; R177-L348 PolarHBondContact NE-O 3.38Å; R177-L348 PolarHBondContact NH2-O 3.01Å
178	P	78	Confident	85.4	Confident	14 Å²	14	60.4 Å²	60.4	9%	0.091	32%	0.316	C	S	.	.			trans	-59.6	141.3	172.1	-22.5	33	0	0	0	111.6	A180 A181 L337 E346 Q347 L348	P178-A180 PolarHBondContact O-N 3.44Å; P178-A180 VanDerWaalsContact O-N 3.15Å; P178-A181 WeakPolarHBondContact O-CB 3.49Å; P178-A181 PolarHBondContact O-N 3.29Å; P178-L337 HydrophobicContact CG-CD1 3.86Å; P178-E346 WeakPolarHBondContact CA-OE2 2.94Å; P178-E346 WeakPolarHBondContact CB-OE2 3.33Å; P178-E346 HydrophobicContact CG-CB 3.9Å; P178-Q347 WeakPolarHBondContact CD-O 3.31Å; P178-L348 HydrophobicContact CG-CD2 3.92Å; P178-L348 HydrophobicContact CG-CG 4.41Å
179	E	78.1	Confident	85.3	Confident	190 Å²	190	59.3 Å²	59.3	89%	0.888	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-31.5	177.1	-68.4	-179.3	174.1	0	0	112.8	A181	E179-A181 PolarHBondContact O-N 3.24Å
180	A	77.5	Confident	85.2	Confident	71 Å²	71	64.8 Å²	64.8	59%	0.587	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-13.7	178.4	0	0	0	0	0	113.5	P178 T182 R261	P178-A180 PolarHBondContact O-N 3.44Å; P178-A180 VanDerWaalsContact O-N 3.15Å; A180-T182 PolarHBondContact O-N 2.98Å; A180-R261 VanDerWaalsContact O-CZ 3.32Å; A180-R261 PolarHBondContact O-NH1 3.39Å; A180-R261 PolarHBondContact O-NH2 3.42Å
181	A	80.4	Confident	85.3	Confident	6 Å²	6	66.7 Å²	66.7	5%	0.05	33%	0.328	C	S	.	.	S	Bend	trans	-64.2	127.4	-179.9	0	0	0	0	0	110.2	P178 E179 K183	P178-A181 WeakPolarHBondContact O-CB 3.49Å; P178-A181 PolarHBondContact O-N 3.29Å; E179-A181 PolarHBondContact O-N 3.24Å; A181-K183 PolarHBondContact O-N 3.46Å
182	T	84.6	Confident	85.3	Confident	27 Å²	27	66.6 Å²	66.6	17%	0.166	33%	0.328	C	S	.	.			trans	-60.8	134.1	179	173.4	0	0	0	0	111.2	A180 Q184 Y185 Q186 V257	A180-T182 PolarHBondContact O-N 2.98Å; T182-Q184 PolarHBondContact OG1-N 3.1Å; T182-Y185 HydrophobicContact CG2-CD2 3.59Å; T182-Y185 HydrophobicContact CG2-CE2 4.03Å; T182-Q186 WeakPolarHBondContact O-CG 3.42Å; T182-Q186 PolarHBondContact O-NE2 2.97Å; T182-Q186 VanDerWaalsContact O-NE2 3.14Å; T182-V257 HydrophobicContact CG2-CG1 3.83Å
183	K	90.5	Very high	85.5	Confident	104 Å²	104	62.4 Å²	62.4	45%	0.452	31%	0.31	S	S	.	.	S	Bend	trans	-82.3	-17	179.2	-62.1	179.2	-177.1	174.2	0	113	A181 Y185 Q186 L461 Y463	A181-K183 PolarHBondContact O-N 3.46Å; K183-Y185 VanDerWaalsContact C-N 3.33Å; K183-Y185 PolarHBondContact O-N 2.67Å; K183-Q186 PolarHBondContact O-N 2.92Å; K183-L461 WeakPolarHBondContact CD-O 3.36Å; K183-Y463 HydrophobicContact CB-CD1 4.16Å
184	Q	93.6	Very high	85.9	Confident	25 Å²	25	57.9 Å²	57.9	12%	0.117	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-46.2	-175.1	179.6	176.4	-0.1	0	0	112.5	T182 Y389 R457 Y463	T182-Q184 PolarHBondContact OG1-N 3.1Å; Q184-Y389 WeakPolarHBondContact O-CB 3.35Å; Q184-R457 PolarHBondContact O-NH2 2.93Å; Q184-Y463 HydrophobicContact CB-CD1 4.23Å; Q184-Y463 HydrophobicContact CB-CD2 3.61Å; Q184-Y463 HydrophobicContact CB-CE1 4.31Å; Q184-Y463 HydrophobicContact CB-CE2 3.72Å; Q184-Y463 HydrophobicContact CB-CG 3.9Å; Q184-Y463 HydrophobicContact CG-CD2 3.92Å; Q184-Y463 HydrophobicContact CG-CE2 3.55Å
185	Y	92.2	Very high	86.2	Confident	9 Å²	9	58.4 Å²	58.4	4%	0.035	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-5.2	-174	-53.7	-79.7	0	0	0	113.2	T182 K183 Q250 V257 P392	T182-Y185 HydrophobicContact CG2-CD2 3.59Å; T182-Y185 HydrophobicContact CG2-CE2 4.03Å; K183-Y185 VanDerWaalsContact C-N 3.33Å; K183-Y185 PolarHBondContact O-N 2.67Å; Y185-Q250 WeakPolarHBondContact O-CG 3.07Å; Y185-Q250 PolarHBondContact O-NE2 3.44Å; Y185-V257 HydrophobicContact CD2-CB 4.11Å; Y185-V257 HydrophobicContact CD2-CG1 4.07Å; Y185-V257 HydrophobicContact CD2-CG2 4.1Å; Y185-V257 HydrophobicContact CE1-CG2 4.16Å; Y185-V257 HydrophobicContact CE2-CB 4Å; Y185-V257 HydrophobicContact CE2-CG1 3.7Å; Y185-V257 HydrophobicContact CE2-CG2 3.69Å; Y185-P392 HydrophobicContact CD1-CG 4.18Å; Y185-P392 HydrophobicContact CE1-CG 3.49Å; Y185-P392 VanDerWaalsContact CE1-CG 3.49Å
186	Q	90	Very high	86.4	Confident	49 Å²	49	53.2 Å²	53.2	23%	0.229	26%	0.258	C	S	.	.	S	Bend	trans	-73.8	137.9	179.7	-51.5	-169.4	7	0	0	111.5	R177 T182 K183 S188 Q250 R457	R177-Q186 VanDerWaalsContact NH1-CG 3.32Å; T182-Q186 WeakPolarHBondContact O-CG 3.42Å; T182-Q186 PolarHBondContact O-NE2 2.97Å; T182-Q186 VanDerWaalsContact O-NE2 3.14Å; K183-Q186 PolarHBondContact O-N 2.92Å; Q186-S188 PolarHBondContact O-N 3.26Å; Q186-Q250 PolarHBondContact O-NE2 2.83Å; Q186-R457 PolarHBondContact O-NH2 3.48Å
187	I	90.2	Very high	86.2	Confident	43 Å²	43	55.9 Å²	55.9	22%	0.221	27%	0.272	C	S	.	.			trans	-65.5	130.5	180	-60.2	163.2	0	0	0	109.3	V163 L167 L171 Q247 Q250	V163-I187 HydrophobicContact CG1-CG2 3.85Å; L167-I187 HydrophobicContact CD1-CG2 4.24Å; L167-I187 HydrophobicContact CD2-CB 4.04Å; L167-I187 HydrophobicContact CD2-CD1 3.45Å; L167-I187 VanDerWaalsContact CD2-CD1 3.45Å; L167-I187 HydrophobicContact CD2-CG1 4.34Å; L167-I187 HydrophobicContact CD2-CG2 3.81Å; L167-I187 HydrophobicContact CG-CG2 4.32Å; L171-I187 HydrophobicContact CD1-CD1 3.31Å; I187-Q247 HydrophobicContact CD1-CB 3.92Å; I187-Q247 HydrophobicContact CD1-CG 3.96Å; I187-Q247 HydrophobicContact CG2-CG 4.49Å; I187-Q250 HydrophobicContact CG1-CB 4.25Å; I187-Q250 HydrophobicContact CG1-CG 3.8Å
188	S	90.5	Very high	85.9	Confident	22 Å²	22	54 Å²	54	15%	0.154	27%	0.266	C	S	.	.			trans	-125.4	121.2	179.1	-176.9	0	0	0	0	110.8	Q186 R190 F191 A192	Q186-S188 PolarHBondContact O-N 3.26Å; S188-R190 PolarHBondContact O-N 3.05Å; S188-F191 CarbonylContact O-C 3.51Å; S188-F191 PolarHBondContact O-N 3.23Å; S188-F191 VanDerWaalsContact O-N 3.1Å; S188-A192 PolarHBondContact O-N 3.42Å
189	I	90.4	Very high	85.4	Confident	68 Å²	68	55.5 Å²	55.5	35%	0.349	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-62	-32.4	177.7	-60.9	174.1	0	0	0	111.1	V160 K164 L167 F191 A192	V160-I189 HydrophobicContact CB-CG2 4.32Å; V160-I189 HydrophobicContact CG1-CG2 3.64Å; V160-I189 HydrophobicContact CG2-CG2 4Å; K164-I189 HydrophobicContact CG-CD1 3.95Å; K164-I189 HydrophobicContact CG-CG1 4.48Å; L167-I189 HydrophobicContact CD1-CG1 4.38Å; I189-F191 PolarHBondContact O-N 2.8Å; I189-A192 WeakPolarHBondContact O-CB 3.19Å; I189-A192 PolarHBondContact O-N 2.82Å; I189-A192 VanDerWaalsContact O-N 3.11Å
190	R	89.6	Confident	84.7	Confident	181 Å²	181	47.4 Å²	47.4	68%	0.683	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-63.4	-23	177.2	-67.4	-172.1	-178.7	-168.5	-0.8	113.3	S188 E460	S188-R190 PolarHBondContact O-N 3.05Å; R190-E460 IonicContact CZ-OE1 2.83Å; R190-E460 IonicContact NH1-OE1 2.73Å; R190-E460 PolarHBondContact NH1-OE1 3.06Å
191	F	90.9	Very high	84.5	Confident	39 Å²	39	44.5 Å²	44.5	17%	0.171	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-111.8	26.5	177.8	-65.6	-88	0	0	0	111.6	S188 I189 R457 E460	S188-F191 CarbonylContact O-C 3.51Å; S188-F191 PolarHBondContact O-N 3.23Å; S188-F191 VanDerWaalsContact O-N 3.1Å; I189-F191 PolarHBondContact O-N 2.8Å; F191-R457 HydrophobicContact CD1-CB 3.92Å; F191-R457 HydrophobicContact CD1-CG 3.99Å; F191-R457 HydrophobicContact CD2-CB 4.49Å; F191-R457 HydrophobicContact CD2-CG 3.85Å; F191-R457 HydrophobicContact CE1-CB 3.64Å; F191-R457 HydrophobicContact CE1-CG 4.04Å; F191-R457 HydrophobicContact CE2-CB 4.24Å; F191-R457 HydrophobicContact CE2-CG 3.9Å; F191-R457 HydrophobicContact CG-CB 4.35Å; F191-R457 HydrophobicContact CG-CG 3.9Å; F191-R457 HydrophobicContact CZ-CB 3.84Å; F191-R457 HydrophobicContact CZ-CG 4.02Å; F191-E460 HydrophobicContact CE2-CB 3.88Å; F191-E460 HydrophobicContact CE2-CG 3.77Å; F191-E460 HydrophobicContact CZ-CB 3.77Å; F191-E460 HydrophobicContact CZ-CG 3.98Å
192	A	90	Very high	84.4	Confident	6 Å²	6	44.6 Å²	44.6	5%	0.05	22%	0.217	C	C	.	.			trans	-63.7	-40.5	178.2	0	0	0	0	0	112.5	A159 V160 V163 S188 I189 R194	A159-A192 HydrophobicContact CB-CB 4.39Å; V160-A192 HydrophobicContact CG2-CB 3.96Å; V163-A192 HydrophobicContact CB-CB 4.02Å; V163-A192 HydrophobicContact CG2-CB 3.53Å; S188-A192 PolarHBondContact O-N 3.42Å; I189-A192 WeakPolarHBondContact O-CB 3.19Å; I189-A192 PolarHBondContact O-N 2.82Å; I189-A192 VanDerWaalsContact O-N 3.11Å; A192-R194 PolarHBondContact O-N 2.91Å
193	D	89.2	Confident	84.3	Confident	21 Å²	21	43.7 Å²	43.7	11%	0.112	21%	0.211	C	C	.	.			trans	-75.5	95.4	170.7	179	13	0	0	0	110.7	E156 A159 T195 K196	E156-D193 HydrophobicContact CG-CB 4.36Å; A159-D193 HydrophobicContact CB-CB 3.99Å; D193-T195 PolarHBondContact O-N 3.45Å; D193-T195 WeakPolarHBondContact OD1-CA 2.94Å; D193-T195 WeakPolarHBondContact OD1-CB 3.45Å; D193-T195 PolarHBondContact OD1-N 3.06Å; D193-T195 PolarHBondContact OD1-OG1 3.29Å; D193-T195 PolarHBondContact OD2-OG1 3.44Å; D193-K196 PolarHBondContact O-N 2.69Å
194	R	89.4	Confident	84.1	Confident	10 Å²	10	40.1 Å²	40.1	4%	0.038	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-6.9	178.4	-62.2	-163.7	-64.3	142.9	-8.7	113.9	A192 V198 S203 Y204 T241 P246 E386 Q387 Q453	A192-R194 PolarHBondContact O-N 2.91Å; R194-V198 VanDerWaalsContact O-CG2 3.23Å; R194-V198 WeakPolarHBondContact O-CG2 3.46Å; R194-S203 PolarHBondContact O-OG 3.44Å; R194-Y204 PolarHBondContact NH2-O 3.26Å; R194-T241 PolarHBondContact NH2-OG1 3.21Å; R194-T241 VanDerWaalsContact NH2-OG1 3.16Å; R194-P246 VanDerWaalsContact NH2-CG 3.32Å; R194-E386 IonicContact NH1-OE1 2.87Å; R194-E386 PolarHBondContact NH1-OE1 2.91Å; R194-E386 VanDerWaalsContact NH1-OE1 3.09Å; R194-Q387 PolarHBondContact O-NE2 2.93Å; R194-Q453 PolarHBondContact O-NE2 2.74Å; R194-Q453 VanDerWaalsContact O-NE2 3.12Å
195	T	84.4	Confident	83.9	Confident	26 Å²	26	40.1 Å²	40.1	16%	0.16	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-17	179.3	72.3	0	0	0	0	113.2	D193 Q197 V198 F205	D193-T195 PolarHBondContact O-N 3.45Å; D193-T195 WeakPolarHBondContact OD1-CA 2.94Å; D193-T195 WeakPolarHBondContact OD1-CB 3.45Å; D193-T195 PolarHBondContact OD1-N 3.06Å; D193-T195 PolarHBondContact OD1-OG1 3.29Å; D193-T195 PolarHBondContact OD2-OG1 3.44Å; T195-Q197 PolarHBondContact O-N 3.06Å; T195-V198 PolarHBondContact O-N 2.95Å; T195-F205 HydrophobicContact CG2-CE2 3.68Å; T195-F205 HydrophobicContact CG2-CZ 3.88Å
196	K	82.4	Confident	83.8	Confident	95 Å²	95	40.5 Å²	40.5	41%	0.413	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	128.3	-179.2	-165.1	169.4	-173.8	163.4	0	111.4	E156 D193 V198 Q453	E156-K196 IonicContact OE1-NZ 3.31Å; E156-K196 PolarHBondContact OE1-NZ 2.86Å; E156-K196 IonicContact OE2-NZ 3.68Å; E156-K196 PolarHBondContact OE2-NZ 3.43Å; D193-K196 PolarHBondContact O-N 2.69Å; K196-V198 PolarHBondContact O-N 3.1Å; K196-V198 VanDerWaalsContact O-N 3.16Å; K196-Q453 PolarHBondContact O-NE2 2.86Å
197	Q	77.2	Confident	83.9	Confident	120 Å²	120	42.9 Å²	42.9	56%	0.561	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	57	23.6	179.3	-61.5	175.7	-14.7	0	0	114.8	T195	T195-Q197 PolarHBondContact O-N 3.06Å
198	V	74.2	Confident	84.1	Confident	9 Å²	9	43 Å²	43	6%	0.055	21%	0.211	C	C	.	.			trans	-97.9	123.1	174.4	177.2	0	0	0	0	110.4	R194 T195 K196 A201 Y450 Q453	R194-V198 VanDerWaalsContact O-CG2 3.23Å; R194-V198 WeakPolarHBondContact O-CG2 3.46Å; T195-V198 PolarHBondContact O-N 2.95Å; K196-V198 PolarHBondContact O-N 3.1Å; K196-V198 VanDerWaalsContact O-N 3.16Å; V198-A201 HydrophobicContact CG1-CB 4.14Å; V198-Y450 HydrophobicContact CB-CD1 4.31Å; V198-Y450 HydrophobicContact CG1-CD1 3.52Å; V198-Y450 HydrophobicContact CG1-CE1 3.6Å; V198-Y450 HydrophobicContact CG2-CD1 3.76Å; V198-Y450 HydrophobicContact CG2-CE1 4.3Å; V198-Q453 HydrophobicContact CG2-CB 4.2Å; V198-Q453 VanDerWaalsContact CG2-CD 3.49Å; V198-Q453 HydrophobicContact CG2-CG 4.45Å; V198-Q453 VanDerWaalsContact CG2-OE1 3.28Å
199	V	68	Low	84.3	Confident	45 Å²	45	43.5 Å²	43.5	27%	0.273	21%	0.211	S	C	.	.			trans	-104.3	128.4	174	-174.7	0	0	0	0	109	A201 L572 E573	V199-A201 PolarHBondContact O-N 2.92Å; V199-L572 HydrophobicContact CG1-CB 4.07Å; V199-E573 HydrophobicContact CG1-CB 4.06Å
200	G	63.5	Low	84.6	Confident	19 Å²	19	47.4 Å²	47.4	20%	0.196	22%	0.222	C	C	.	.	S	Bend	trans	87.3	-8.3	167.9	0	0	0	0	0	118.2	R570	G200-R570 PolarHBondContact O-NH2 3.49Å
201	A	72.6	Confident	84.8	Confident	11 Å²	11	41 Å²	41	9%	0.091	20%	0.2	C	C	.	.			trans	-126.2	140.8	-177.8	0	0	0	0	0	115.4	V198 V199 A449 Y450 R569	V198-A201 HydrophobicContact CG1-CB 4.14Å; V199-A201 PolarHBondContact O-N 2.92Å; A201-A449 HydrophobicContact CB-CB 3.76Å; A201-Y450 HydrophobicContact CB-CE1 3.76Å; A201-Y450 HydrophobicContact CB-CE2 4Å; A201-Y450 WeakPolarHBondContact CB-OH 3.29Å; A201-R569 PolarHBondContact O-NE 3.18Å
202	R	79.2	Confident	85.1	Confident	7 Å²	7	39.3 Å²	39.3	3%	0.026	19%	0.193	C	C	.	.			trans	-70.9	147.4	173.9	174.7	169.6	65.4	-159	-7.9	112.2	D147 Y148 E151 Y204 K239	D147-R202 IonicContact OD1-CZ 3.82Å; D147-R202 IonicContact OD1-NH1 2.84Å; D147-R202 PolarHBondContact OD1-NH1 2.92Å; D147-R202 IonicContact OD1-NH2 3.62Å; D147-R202 PolarHBondContact OD1-NH2 2.94Å; D147-R202 IonicContact OD2-NH1 3.07Å; Y148-R202 PolarHBondContact O-NH1 3.29Å; E151-R202 VanDerWaalsContact CD-CG 3.45Å; E151-R202 HydrophobicContact CG-CB 4.26Å; E151-R202 HydrophobicContact CG-CG 3.58Å; E151-R202 VanDerWaalsContact OE1-CB 3.31Å; E151-R202 WeakPolarHBondContact OE1-CB 3.33Å; R202-Y204 HydrophobicContact CG-CD2 4.33Å; R202-Y204 HydrophobicContact CG-CE2 3.96Å; R202-Y204 PolarHBondContact NE-OH 3.46Å; R202-Y204 VanDerWaalsContact NE-OH 3.11Å; R202-Y204 PolarHBondContact NH1-OH 3.45Å; R202-K239 HydrophobicContact CB-CD 4.35Å; R202-K239 WeakPolarHBondContact O-CE 3.42Å; R202-K239 PolarHBondContact O-NZ 3.23Å
203	S	83.2	Confident	85.4	Confident	8 Å²	8	41.8 Å²	41.8	6%	0.056	21%	0.205	C	C	.	.			trans	-126.4	143.6	168.8	-59.8	0	0	0	0	111.1	R194	R194-S203 PolarHBondContact O-OG 3.44Å
204	Y	85.7	Confident	85.7	Confident	29 Å²	29	46.5 Å²	46.5	11%	0.114	22%	0.222	C	C	.	.			trans	-105.8	141.6	173.6	-73.7	-90.7	0	0	0	110.5	R194 R202 K239 A242	R194-Y204 PolarHBondContact NH2-O 3.26Å; R202-Y204 HydrophobicContact CG-CD2 4.33Å; R202-Y204 HydrophobicContact CG-CE2 3.96Å; R202-Y204 PolarHBondContact NE-OH 3.46Å; R202-Y204 VanDerWaalsContact NE-OH 3.11Å; R202-Y204 PolarHBondContact NH1-OH 3.45Å; Y204-K239 HydrophobicContact CD2-CB 4.15Å; Y204-K239 HydrophobicContact CD2-CD 4.23Å; Y204-K239 HydrophobicContact CE2-CB 3.96Å; Y204-K239 HydrophobicContact CE2-CD 4.05Å; Y204-K239 HydrophobicContact CE2-CG 4.36Å; Y204-A242 HydrophobicContact CD1-CB 3.79Å; Y204-A242 HydrophobicContact CD2-CB 3.59Å; Y204-A242 HydrophobicContact CE1-CB 3.79Å; Y204-A242 HydrophobicContact CE2-CB 3.57Å; Y204-A242 HydrophobicContact CG-CB 3.69Å
205	F	88.4	Confident	85.9	Confident	26 Å²	26	47.1 Å²	47.1	11%	0.114	23%	0.225	C	C	.	.			trans	-110.2	129.6	169.4	-65.3	-84.3	0	0	0	108.4	I154 A159 I162 T195	I154-F205 HydrophobicContact CD1-CB 3.98Å; I154-F205 HydrophobicContact CD1-CD1 3.37Å; I154-F205 HydrophobicContact CD1-CD2 3.62Å; I154-F205 HydrophobicContact CD1-CE1 3.6Å; I154-F205 HydrophobicContact CD1-CE2 3.83Å; I154-F205 HydrophobicContact CD1-CG 3.36Å; I154-F205 HydrophobicContact CD1-CZ 3.8Å; I154-F205 HydrophobicContact CG1-CD1 4.22Å; I154-F205 HydrophobicContact CG1-CD2 3.74Å; I154-F205 HydrophobicContact CG1-CE1 4.07Å; I154-F205 HydrophobicContact CG1-CE2 3.58Å; I154-F205 HydrophobicContact CG1-CG 4.05Å; I154-F205 HydrophobicContact CG1-CZ 3.73Å; I154-F205 HydrophobicContact CG2-CD2 4.37Å; A159-F205 HydrophobicContact CB-CE1 3.97Å; I162-F205 HydrophobicContact CD1-CB 4.18Å; T195-F205 HydrophobicContact CG2-CE2 3.68Å; T195-F205 HydrophobicContact CG2-CZ 3.88Å
206	Y	91.7	Very high	86.5	Confident	17 Å²	17	47.2 Å²	47.2	7%	0.067	23%	0.225	C	C	.	.			trans	-64.9	139	177	179.3	-88.6	0	0	0	110	I162 E209 R245 E359	I162-Y206 WeakPolarHBondContact CG2-O 3.49Å; Y206-E209 PolarHBondContact OH-N 3.16Å; Y206-E209 VanDerWaalsContact OH-N 3.14Å; Y206-R245 HydrophobicContact CD1-CG 3.74Å; Y206-R245 HydrophobicContact CD2-CB 4.25Å; Y206-R245 HydrophobicContact CD2-CG 3.34Å; Y206-R245 HydrophobicContact CE1-CG 3.97Å; Y206-R245 VanDerWaalsContact CE1-NE 3.31Å; Y206-R245 VanDerWaalsContact CE1-NH2 3.33Å; Y206-R245 HydrophobicContact CE2-CG 3.53Å; Y206-R245 HydrophobicContact CG-CB 4.43Å; Y206-R245 HydrophobicContact CG-CG 3.42Å; Y206-R245 VanDerWaalsContact CG-CG 3.42Å; Y206-R245 PolarHBondContact OH-NH2 3.27Å; Y206-E359 PolarHBondContact OH-OE1 2.91Å
207	K	91.2	Very high	87.1	Confident	98 Å²	98	47.3 Å²	47.3	43%	0.426	23%	0.226	S	C	.	.			trans	-126	-45.7	175.5	-65.9	-166.6	173.4	-151.1	0	111.7	Q211	K207-Q211 HydrophobicContact CB-CB 4.22Å; K207-Q211 HydrophobicContact CB-CG 4.35Å
208	S	94	Very high	87.9	Confident	45 Å²	45	43.2 Å²	43.2	32%	0.315	21%	0.21	S	C	.	.			trans	-167.9	163	177	58.6	0	0	0	0	110.1	Y210 Q211 C212	S208-Y210 PolarHBondContact O-N 3.02Å; S208-Q211 WeakPolarHBondContact O-CB 3.49Å; S208-Q211 PolarHBondContact O-N 3.12Å; S208-Q211 PolarHBondContact OG-N 3.05Å; S208-C212 PolarHBondContact O-N 2.78Å
209	E	95.9	Very high	88.9	Confident	34 Å²	34	42.9 Å²	42.9	16%	0.159	21%	0.208	C	C	.	.	H	α-helix	trans	-55.1	-40.1	170	-74	-68.4	89.9	0	0	112	Y206 Q211 C212 D213 E359 N362 R366	Y206-E209 PolarHBondContact OH-N 3.16Å; Y206-E209 VanDerWaalsContact OH-N 3.14Å; E209-Q211 VanDerWaalsContact C-N 3.28Å; E209-Q211 PolarHBondContact O-N 3.29Å; E209-C212 CarbonylContact O-C 3.57Å; E209-C212 WeakPolarHBondContact O-CA 3.39Å; E209-C212 VanDerWaalsContact O-CB 3.32Å; E209-C212 WeakPolarHBondContact O-CB 3.41Å; E209-C212 PolarHBondContact O-N 2.76Å; E209-D213 PolarHBondContact O-N 2.84Å; E209-E359 HydrophobicContact CG-CG 4.14Å; E209-N362 WeakPolarHBondContact OE2-CB 3.47Å; E209-N362 PolarHBondContact OE2-ND2 2.87Å; E209-R366 VanDerWaalsContact CD-NH2 3.28Å; E209-R366 PolarHBondContact O-NH2 2.93Å; E209-R366 IonicContact OE1-CZ 3.05Å; E209-R366 IonicContact OE1-NH1 3.15Å; E209-R366 PolarHBondContact OE1-NH1 2.84Å; E209-R366 IonicContact OE1-NH2 2.7Å; E209-R366 IonicContact OE2-CZ 3.62Å; E209-R366 VanDerWaalsContact OE2-CZ 3.29Å; E209-R366 IonicContact OE2-NH1 3.35Å; E209-R366 PolarHBondContact OE2-NH1 2.75Å; E209-R366 IonicContact OE2-NH2 2.74Å; E209-R366 PolarHBondContact OE2-NH2 2.76Å
210	Y	96.3	Very high	90.2	Very high	149 Å²	149	43 Å²	43	58%	0.584	21%	0.206	S	C	*	.	H	α-helix	trans	-57.7	-38.5	174	176.3	-103.7	0	0	0	112.7	S208 C212 D213 R214	S208-Y210 PolarHBondContact O-N 3.02Å; Y210-C212 VanDerWaalsContact C-N 3.34Å; Y210-D213 PolarHBondContact O-N 2.62Å; Y210-R214 VanDerWaalsContact CE1-CD 3.42Å; Y210-R214 HydrophobicContact CE1-CG 4.12Å; Y210-R214 HydrophobicContact CE2-CG 4.44Å; Y210-R214 WeakPolarHBondContact O-CG 3.36Å; Y210-R214 PolarHBondContact O-N 2.69Å
211	Q	93.9	Very high	91.6	Very high	48 Å²	48	48 Å²	48	22%	0.224	22%	0.222	C	C	.	.	H	α-helix	trans	-68.8	-35	175.1	-178.4	60.7	61.8	0	0	111.7	K207 S208 E209 R214 N215	K207-Q211 HydrophobicContact CB-CB 4.22Å; K207-Q211 HydrophobicContact CB-CG 4.35Å; S208-Q211 WeakPolarHBondContact O-CB 3.49Å; S208-Q211 PolarHBondContact O-N 3.12Å; S208-Q211 PolarHBondContact OG-N 3.05Å; E209-Q211 VanDerWaalsContact C-N 3.28Å; E209-Q211 PolarHBondContact O-N 3.29Å; Q211-R214 PolarHBondContact O-N 3.43Å; Q211-N215 PolarHBondContact NE2-OD1 2.92Å; Q211-N215 PolarHBondContact O-N 2.64Å; Q211-N215 PolarHBondContact O-ND2 3.33Å; Q211-N215 PolarHBondContact O-OD1 3.33Å
212	C	96.3	Very high	92.5	Very high	3 Å²	3	47.5 Å²	47.5	2%	0.02	22%	0.218	C	C	.	.	H	α-helix	trans	-64.8	-40	173.4	-67.7	0	0	0	0	111.7	S208 E209 Y210 N215 M216	S208-C212 PolarHBondContact O-N 2.78Å; E209-C212 CarbonylContact O-C 3.57Å; E209-C212 WeakPolarHBondContact O-CA 3.39Å; E209-C212 VanDerWaalsContact O-CB 3.32Å; E209-C212 WeakPolarHBondContact O-CB 3.41Å; E209-C212 PolarHBondContact O-N 2.76Å; Y210-C212 VanDerWaalsContact C-N 3.34Å; C212-N215 WeakPolarHBondContact O-CB 3.09Å; C212-N215 PolarHBondContact O-N 3.45Å; C212-M216 PolarHBondContact O-N 3.29Å
213	D	97.1	Very high	93.2	Very high	57 Å²	57	47.2 Å²	47.2	31%	0.305	22%	0.217	S	C	.	.	H	α-helix	trans	-63.5	-43.4	174.3	-62	-27.4	0	0	0	111.4	E209 Y210 N215 M216 E217 R366	E209-D213 PolarHBondContact O-N 2.84Å; Y210-D213 PolarHBondContact O-N 2.62Å; D213-N215 VanDerWaalsContact C-N 3.3Å; D213-N215 PolarHBondContact O-N 2.92Å; D213-M216 WeakPolarHBondContact O-CA 3.42Å; D213-M216 WeakPolarHBondContact O-CB 3.43Å; D213-M216 PolarHBondContact O-N 2.67Å; D213-M216 VanDerWaalsContact O-N 3.11Å; D213-E217 WeakPolarHBondContact O-CG 3.41Å; D213-E217 PolarHBondContact O-N 3.38Å; D213-R366 IonicContact OD1-CZ 2.8Å; D213-R366 VanDerWaalsContact OD1-CZ 3.26Å; D213-R366 IonicContact OD1-NE 3.83Å; D213-R366 PolarHBondContact OD1-NE 3.29Å; D213-R366 IonicContact OD1-NH2 2.6Å; D213-R366 PolarHBondContact OD1-NH2 3.16Å; D213-R366 IonicContact OD2-NH2 3.67Å
214	R	95	Very high	93.7	Very high	121 Å²	121	49.3 Å²	49.3	46%	0.457	23%	0.227	S	C	.	.	H	α-helix	trans	-62	-35.8	173.8	-72.6	-171.9	66.5	161.4	2.6	113.2	Y210 Q211 T218	Y210-R214 VanDerWaalsContact CE1-CD 3.42Å; Y210-R214 HydrophobicContact CE1-CG 4.12Å; Y210-R214 HydrophobicContact CE2-CG 4.44Å; Y210-R214 WeakPolarHBondContact O-CG 3.36Å; Y210-R214 PolarHBondContact O-N 2.69Å; Q211-R214 PolarHBondContact O-N 3.43Å; R214-T218 WeakPolarHBondContact O-CB 3.41Å; R214-T218 PolarHBondContact O-N 2.75Å; R214-T218 PolarHBondContact O-OG1 3.02Å
215	N	94.4	Very high	93.9	Very high	22 Å²	22	48 Å²	48	12%	0.118	22%	0.222	C	C	.	.	H	α-helix	trans	-66.4	-42.2	173.9	-66	-20.3	0	0	0	110.4	Q211 C212 D213 T218 F219 A242	Q211-N215 PolarHBondContact NE2-OD1 2.92Å; Q211-N215 PolarHBondContact O-N 2.64Å; Q211-N215 PolarHBondContact O-ND2 3.33Å; Q211-N215 PolarHBondContact O-OD1 3.33Å; C212-N215 WeakPolarHBondContact O-CB 3.09Å; C212-N215 PolarHBondContact O-N 3.45Å; D213-N215 VanDerWaalsContact C-N 3.3Å; D213-N215 PolarHBondContact O-N 2.92Å; N215-T218 WeakPolarHBondContact O-CB 3.06Å; N215-T218 PolarHBondContact O-N 2.9Å; N215-F219 HydrophobicContact CB-CE2 4.35Å; N215-F219 WeakPolarHBondContact O-CD2 3.5Å; N215-F219 WeakPolarHBondContact O-CG 3.48Å; N215-F219 PolarHBondContact O-N 2.61Å; N215-A242 HydrophobicContact CB-CB 4.23Å; N215-A242 WeakPolarHBondContact CB-O 3.28Å; N215-A242 PolarHBondContact ND2-O 3.28Å
216	M	96.3	Very high	94	Very high	29 Å²	29	46.9 Å²	46.9	14%	0.143	22%	0.218	C	C	.	.	H	α-helix	trans	-58.3	-49.6	173.6	-175.5	-174.3	65.5	0	0	111.7	C212 D213 T218 F219 M220 L243 R366 T369 L370	C212-M216 PolarHBondContact O-N 3.29Å; D213-M216 WeakPolarHBondContact O-CA 3.42Å; D213-M216 WeakPolarHBondContact O-CB 3.43Å; D213-M216 PolarHBondContact O-N 2.67Å; D213-M216 VanDerWaalsContact O-N 3.11Å; M216-T218 PolarHBondContact O-N 3.49Å; M216-F219 PolarHBondContact O-N 3.27Å; M216-M220 WeakPolarHBondContact O-CG 3.28Å; M216-M220 PolarHBondContact O-N 3.45Å; M216-L243 HydrophobicContact CB-CD2 3.98Å; M216-R366 HydrophobicContact CG-CB 4.39Å; M216-R366 HydrophobicContact SD-CB 3.73Å; M216-R366 HydrophobicContact SD-CG 3.7Å; M216-T369 HydrophobicContact CE-CG2 4.48Å; M216-T369 HydrophobicContact SD-CG2 3.95Å; M216-L370 HydrophobicContact CG-CD1 4.12Å; M216-L370 HydrophobicContact CG-CD2 3.83Å; M216-L370 HydrophobicContact CG-CG 3.79Å
217	E	95.7	Very high	94	Very high	96 Å²	96	47.6 Å²	47.6	45%	0.449	23%	0.225	S	C	.	.	H	α-helix	trans	-56.6	-37.3	175.6	-71.3	175.2	-176.1	0	0	112.3	D213 M220 K221	D213-E217 WeakPolarHBondContact O-CG 3.41Å; D213-E217 PolarHBondContact O-N 3.38Å; E217-M220 PolarHBondContact O-N 3.33Å; E217-K221 WeakPolarHBondContact O-CG 3.39Å; E217-K221 PolarHBondContact O-N 2.91Å
218	T	92.7	Very high	93.8	Very high	35 Å²	35	49 Å²	49	22%	0.215	23%	0.231	C	C	.	.	H	α-helix	trans	-65.7	-42.2	176.6	-58.8	0	0	0	0	111.3	Y148 R214 N215 M216 K221 C222	Y148-T218 HydrophobicContact CD1-CG2 3.13Å; Y148-T218 HydrophobicContact CE1-CG2 3.63Å; Y148-T218 HydrophobicContact CG-CG2 3.69Å; R214-T218 WeakPolarHBondContact O-CB 3.41Å; R214-T218 PolarHBondContact O-N 2.75Å; R214-T218 PolarHBondContact O-OG1 3.02Å; N215-T218 WeakPolarHBondContact O-CB 3.06Å; N215-T218 PolarHBondContact O-N 2.9Å; M216-T218 PolarHBondContact O-N 3.49Å; T218-K221 PolarHBondContact O-N 3.27Å; T218-C222 PolarHBondContact O-N 3.46Å; T218-C222 PolarHBondContact O-SG 3.04Å
219	F	95.6	Very high	93.1	Very high	2 Å²	2	48.3 Å²	48.3	1%	0.009	22%	0.222	C	C	.	.	H	α-helix	trans	-67.3	-35.8	173.7	-62.4	-51.3	0	0	0	112.3	N215 M216 K221 C222 I223 I238 A242 L243 L370	N215-F219 HydrophobicContact CB-CE2 4.35Å; N215-F219 WeakPolarHBondContact O-CD2 3.5Å; N215-F219 WeakPolarHBondContact O-CG 3.48Å; N215-F219 PolarHBondContact O-N 2.61Å; M216-F219 PolarHBondContact O-N 3.27Å; F219-K221 VanDerWaalsContact C-N 3.35Å; F219-C222 WeakPolarHBondContact O-CB 3.45Å; F219-C222 PolarHBondContact O-N 3.41Å; F219-C222 VanDerWaalsContact O-N 3.14Å; F219-I223 WeakPolarHBondContact O-CG1 3.45Å; F219-I223 PolarHBondContact O-N 2.81Å; F219-I238 HydrophobicContact CB-CG2 4.02Å; F219-I238 HydrophobicContact CD1-CB 4.33Å; F219-I238 HydrophobicContact CD1-CG2 3.77Å; F219-I238 HydrophobicContact CD2-CB 4.45Å; F219-I238 HydrophobicContact CD2-CG2 4.2Å; F219-I238 HydrophobicContact CE1-CB 4.34Å; F219-I238 HydrophobicContact CE1-CG2 4.27Å; F219-I238 HydrophobicContact CE2-CB 4.47Å; F219-I238 HydrophobicContact CG-CB 4.4Å; F219-I238 HydrophobicContact CG-CG2 3.74Å; F219-I238 HydrophobicContact CZ-CB 4.41Å; F219-A242 HydrophobicContact CE2-CB 3.71Å; F219-A242 HydrophobicContact CZ-CB 3.8Å; F219-L243 HydrophobicContact CD2-CD2 3.95Å; F219-L243 HydrophobicContact CE2-CD2 3.93Å; F219-L243 HydrophobicContact CE2-CG 4.38Å; F219-L370 HydrophobicContact CB-CD1 4.12Å; F219-L370 HydrophobicContact CB-CD2 3.68Å; F219-L370 HydrophobicContact CD2-CD1 3.99Å; F219-L370 HydrophobicContact CG-CD1 4.46Å
220	M	95.4	Very high	91.4	Very high	48 Å²	48	48.1 Å²	48.1	24%	0.236	23%	0.229	C	C	.	.	H	α-helix	trans	-60.5	-44.5	172.1	-69.7	-175	73.8	0	0	111.3	M216 E217 C222 I223 D224 L370 Y373	M216-M220 WeakPolarHBondContact O-CG 3.28Å; M216-M220 PolarHBondContact O-N 3.45Å; E217-M220 PolarHBondContact O-N 3.33Å; M220-C222 VanDerWaalsContact C-N 3.31Å; M220-C222 PolarHBondContact O-N 3.25Å; M220-I223 CarbonylContact O-C 3.48Å; M220-I223 WeakPolarHBondContact O-CA 3.4Å; M220-I223 VanDerWaalsContact O-CB 3.32Å; M220-I223 WeakPolarHBondContact O-CB 3.41Å; M220-I223 PolarHBondContact O-N 2.88Å; M220-I223 VanDerWaalsContact O-N 3.08Å; M220-D224 PolarHBondContact O-N 2.97Å; M220-L370 HydrophobicContact CG-CD2 3.62Å; M220-Y373 HydrophobicContact CB-CD1 4.3Å; M220-Y373 HydrophobicContact CB-CE1 4.32Å; M220-Y373 HydrophobicContact CE-CD1 3.73Å; M220-Y373 HydrophobicContact CE-CD2 4.04Å; M220-Y373 HydrophobicContact CE-CE1 3.95Å; M220-Y373 HydrophobicContact CE-CE2 4.26Å; M220-Y373 HydrophobicContact CE-CG 3.76Å; M220-Y373 HydrophobicContact CG-CD1 4.2Å
221	K	92.9	Very high	89.4	Confident	123 Å²	123	50.3 Å²	50.3	54%	0.535	25%	0.245	S	C	.	.	H	α-helix	trans	-59.4	-41.5	172.4	-70.1	171.4	-173.1	173.8	0	111.6	E217 T218 F219 I223 D224 V225	E217-K221 WeakPolarHBondContact O-CG 3.39Å; E217-K221 PolarHBondContact O-N 2.91Å; T218-K221 PolarHBondContact O-N 3.27Å; F219-K221 VanDerWaalsContact C-N 3.35Å; K221-I223 VanDerWaalsContact C-N 3.3Å; K221-I223 PolarHBondContact O-N 2.87Å; K221-D224 WeakPolarHBondContact O-CB 3.34Å; K221-D224 PolarHBondContact O-N 3.46Å; K221-V225 VanDerWaalsContact O-CG2 3.26Å; K221-V225 WeakPolarHBondContact O-CG2 3.19Å; K221-V225 PolarHBondContact O-N 2.85Å
222	C	92.6	Very high	87.9	Confident	1 Å²	1	50.6 Å²	50.6	1%	0.007	25%	0.248	C	C	.	.	H	α-helix	trans	-61.1	-39.7	174.9	-62.2	0	0	0	0	112.1	Y148 T218 F219 M220 V225 S226 T236 Y557	Y148-C222 VanDerWaalsContact CB-SG 3.53Å; T218-C222 PolarHBondContact O-N 3.46Å; T218-C222 PolarHBondContact O-SG 3.04Å; F219-C222 WeakPolarHBondContact O-CB 3.45Å; F219-C222 PolarHBondContact O-N 3.41Å; F219-C222 VanDerWaalsContact O-N 3.14Å; M220-C222 VanDerWaalsContact C-N 3.31Å; M220-C222 PolarHBondContact O-N 3.25Å; C222-V225 PolarHBondContact O-N 3.42Å; C222-S226 WeakPolarHBondContact O-CB 3.2Å; C222-S226 PolarHBondContact O-N 3.31Å; C222-S226 PolarHBondContact O-OG 2.99Å; C222-S226 VanDerWaalsContact O-OG 3.09Å; C222-T236 HydrophobicContact CB-CG2 3.45Å; C222-T236 VanDerWaalsContact CB-CG2 3.45Å; C222-T236 PolarHBondContact O-OG1 3.04Å; C222-Y557 PolarHBondContact SG-OH 3.3Å
223	I	94	Very high	86.8	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-61.6	-45.2	173.7	-71.4	162.7	0	0	0	110.3	F219 M220 K221 V225 S226 S227 T236 L370 Y373 A374 V377 V379	F219-I223 WeakPolarHBondContact O-CG1 3.45Å; F219-I223 PolarHBondContact O-N 2.81Å; M220-I223 CarbonylContact O-C 3.48Å; M220-I223 WeakPolarHBondContact O-CA 3.4Å; M220-I223 VanDerWaalsContact O-CB 3.32Å; M220-I223 WeakPolarHBondContact O-CB 3.41Å; M220-I223 PolarHBondContact O-N 2.88Å; M220-I223 VanDerWaalsContact O-N 3.08Å; K221-I223 VanDerWaalsContact C-N 3.3Å; K221-I223 PolarHBondContact O-N 2.87Å; I223-V225 PolarHBondContact O-N 3.4Å; I223-S226 PolarHBondContact O-N 2.99Å; I223-S227 WeakPolarHBondContact O-CB 3.12Å; I223-S227 PolarHBondContact O-N 3.02Å; I223-T236 WeakPolarHBondContact CA-OG1 3.5Å; I223-T236 HydrophobicContact CG1-CG2 4.05Å; I223-T236 PolarHBondContact N-OG1 3.48Å; I223-L370 HydrophobicContact CD1-CD2 4.09Å; I223-Y373 HydrophobicContact CB-CD1 4.2Å; I223-Y373 HydrophobicContact CB-CE1 4.35Å; I223-Y373 HydrophobicContact CD1-CD1 4.31Å; I223-Y373 HydrophobicContact CG2-CD1 3.68Å; I223-Y373 HydrophobicContact CG2-CE1 3.86Å; I223-A374 HydrophobicContact CD1-CB 3.96Å; I223-A374 HydrophobicContact CG1-CB 4.36Å; I223-A374 HydrophobicContact CG2-CB 4.42Å; I223-V377 HydrophobicContact CG2-CG2 3.27Å; I223-V379 HydrophobicContact CG1-CG1 4.49Å; I223-V379 HydrophobicContact CG2-CB 4.15Å; I223-V379 HydrophobicContact CG2-CG1 4.41Å; I223-V379 HydrophobicContact CG2-CG2 4.29Å
224	D	92.2	Very high	86.3	Confident	52 Å²	52	52.5 Å²	52.5	28%	0.278	25%	0.254	S	S	.	.	H	α-helix	trans	-56.7	-50	175	-76	-39.2	0	0	0	111.8	M220 K221 S226 S227 K228 Y373	M220-D224 PolarHBondContact O-N 2.97Å; K221-D224 WeakPolarHBondContact O-CB 3.34Å; K221-D224 PolarHBondContact O-N 3.46Å; D224-S226 VanDerWaalsContact C-N 3.34Å; D224-S226 PolarHBondContact O-N 3.28Å; D224-S227 WeakPolarHBondContact O-CB 3.18Å; D224-S227 PolarHBondContact O-N 3.32Å; D224-S227 VanDerWaalsContact O-N 3.15Å; D224-S227 PolarHBondContact O-OG 3.31Å; D224-K228 WeakPolarHBondContact O-CG 3.26Å; D224-K228 PolarHBondContact O-N 3.32Å; D224-Y373 PolarHBondContact OD1-OH 3.35Å
225	V	90.4	Very high	86.3	Confident	2 Å²	2	46.8 Å²	46.8	1%	0.012	23%	0.232	C	C	.	.	H	α-helix	trans	-60.9	-45.7	178.7	-174.9	0	0	0	0	110.6	E127 I130 L146 K221 C222 I223 S227 K228 Y229	E127-V225 HydrophobicContact CB-CG2 3.93Å; E127-V225 HydrophobicContact CG-CB 4.36Å; E127-V225 HydrophobicContact CG-CG1 3.88Å; E127-V225 HydrophobicContact CG-CG2 3.55Å; I130-V225 HydrophobicContact CD1-CG1 4.07Å; L146-V225 HydrophobicContact CD1-CB 3.77Å; L146-V225 HydrophobicContact CD1-CG1 3.59Å; K221-V225 VanDerWaalsContact O-CG2 3.26Å; K221-V225 WeakPolarHBondContact O-CG2 3.19Å; K221-V225 PolarHBondContact O-N 2.85Å; C222-V225 PolarHBondContact O-N 3.42Å; I223-V225 PolarHBondContact O-N 3.4Å; V225-S227 PolarHBondContact O-N 3.49Å; V225-K228 PolarHBondContact O-N 2.87Å; V225-Y229 HydrophobicContact CG1-CE2 3.81Å; V225-Y229 WeakPolarHBondContact O-CD2 3.4Å; V225-Y229 WeakPolarHBondContact O-CE2 3.39Å
226	S	90.8	Very high	86.3	Confident	3 Å²	3	45.8 Å²	45.8	2%	0.021	23%	0.226	C	C	.	.	H	α-helix	trans	-60.2	-31.2	176.9	-70.6	0	0	0	0	113.5	L146 C222 I223 D224 K228 F235 T236	L146-S226 VanDerWaalsContact CD1-OG 3.31Å; L146-S226 WeakPolarHBondContact CD1-OG 3.5Å; L146-S226 WeakPolarHBondContact CG-OG 3.5Å; C222-S226 WeakPolarHBondContact O-CB 3.2Å; C222-S226 PolarHBondContact O-N 3.31Å; C222-S226 PolarHBondContact O-OG 2.99Å; C222-S226 VanDerWaalsContact O-OG 3.09Å; I223-S226 PolarHBondContact O-N 2.99Å; D224-S226 VanDerWaalsContact C-N 3.34Å; D224-S226 PolarHBondContact O-N 3.28Å; S226-K228 VanDerWaalsContact C-N 3.34Å; S226-F235 PolarHBondContact OG-O 3.06Å; S226-T236 PolarHBondContact OG-OG1 2.97Å; S226-T236 VanDerWaalsContact OG-OG1 3.1Å
227	S	90.4	Very high	86.3	Confident	31 Å²	31	44.4 Å²	44.4	22%	0.217	22%	0.22	C	C	.	.	H	α-helix	trans	-71.9	-25.9	-178.2	80.4	0	0	0	0	113.4	I223 D224 V225 Y229	I223-S227 WeakPolarHBondContact O-CB 3.12Å; I223-S227 PolarHBondContact O-N 3.02Å; D224-S227 WeakPolarHBondContact O-CB 3.18Å; D224-S227 PolarHBondContact O-N 3.32Å; D224-S227 VanDerWaalsContact O-N 3.15Å; D224-S227 PolarHBondContact O-OG 3.31Å; V225-S227 PolarHBondContact O-N 3.49Å; S227-Y229 PolarHBondContact O-N 2.93Å
228	K	87.6	Confident	86.3	Confident	128 Å²	128	40 Å²	40	56%	0.557	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72	-10.4	-174.5	-69.2	174.2	-174.7	-179.1	0	114.3	E127 D224 V225 S226	E127-K228 VanDerWaalsContact OE1-CD 3.29Å; E127-K228 WeakPolarHBondContact OE1-CD 3.41Å; E127-K228 WeakPolarHBondContact OE1-CE 3.35Å; E127-K228 IonicContact OE1-NZ 2.75Å; E127-K228 PolarHBondContact OE1-NZ 2.66Å; E127-K228 IonicContact OE2-NZ 3.06Å; D224-K228 WeakPolarHBondContact O-CG 3.26Å; D224-K228 PolarHBondContact O-N 3.32Å; V225-K228 PolarHBondContact O-N 2.87Å; S226-K228 VanDerWaalsContact C-N 3.34Å
229	Y	79.3	Confident	86.4	Confident	31 Å²	31	38.5 Å²	38.5	12%	0.122	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	21.6	-169.3	-55.8	-65.2	0	0	0	115.9	Q131 I134 M135 K138 V225 S227	Q131-Y229 HydrophobicContact CG-CE1 4.18Å; I134-Y229 HydrophobicContact CB-CE1 4.28Å; I134-Y229 HydrophobicContact CB-CE2 4.39Å; I134-Y229 HydrophobicContact CD1-CE2 3.62Å; I134-Y229 WeakPolarHBondContact CD1-OH 3.43Å; I134-Y229 HydrophobicContact CG2-CD1 3.85Å; I134-Y229 HydrophobicContact CG2-CD2 3.75Å; I134-Y229 HydrophobicContact CG2-CE1 3.91Å; I134-Y229 HydrophobicContact CG2-CE2 3.78Å; I134-Y229 HydrophobicContact CG2-CG 3.78Å; M135-Y229 HydrophobicContact CG-CE1 4.47Å; M135-Y229 HydrophobicContact SD-CD1 3.88Å; M135-Y229 HydrophobicContact SD-CE1 4.31Å; K138-Y229 PolarHBondContact NZ-O 3.4Å; V225-Y229 HydrophobicContact CG1-CE2 3.81Å; V225-Y229 WeakPolarHBondContact O-CD2 3.4Å; V225-Y229 WeakPolarHBondContact O-CE2 3.39Å; S227-Y229 PolarHBondContact O-N 2.93Å
230	G	61.6	Low	86.3	Confident	30 Å²	30	38.5 Å²	38.5	31%	0.309	19%	0.19	S	C	.	.			trans	106	-165	165.9	0	0	0	0	0	116.2	R233	G230-R233 WeakPolarHBondContact O-CG 3.39Å; G230-R233 PolarHBondContact O-NE 3.22Å
231	E	54	Low	86.3	Confident	195 Å²	195	36.3 Å²	36.3	91%	0.911	18%	0.179	S	C	*	.	S	Bend	trans	-73.8	-34.4	-166.6	-68.1	-179.5	164	0	0	115.4	R233	E231-R233 VanDerWaalsContact C-N 3.27Å; E231-R233 PolarHBondContact O-N 3.3Å; E231-R233 VanDerWaalsContact O-N 3.17Å
232	D	61.7	Low	86.4	Confident	53 Å²	53	30.5 Å²	30.5	28%	0.283	15%	0.154	S	C	.	.	S	Bend	trans	-93.1	59.4	176.5	-160.1	-25.2	0	0	0	110.7	K143 R380 R526	K143-D232 VanDerWaalsContact CE-CG 3.46Å; K143-D232 WeakPolarHBondContact CE-OD2 2.94Å; K143-D232 IonicContact NZ-OD1 2.69Å; K143-D232 PolarHBondContact NZ-OD1 3.18Å; K143-D232 IonicContact NZ-OD2 3.17Å; K143-D232 PolarHBondContact NZ-OD2 3.33Å; D232-R380 IonicContact OD1-NH2 2.74Å; D232-R380 PolarHBondContact OD1-NH2 2.91Å; D232-R526 IonicContact OD2-CZ 3.69Å; D232-R526 IonicContact OD2-NE 3.89Å; D232-R526 IonicContact OD2-NH1 2.86Å; D232-R526 PolarHBondContact OD2-NH1 3.39Å
233	R	72.6	Confident	86.5	Confident	91 Å²	91	30.4 Å²	30.4	34%	0.343	15%	0.153	S	C	.	.			trans	-50.7	143.6	-167.3	-66.5	178.5	-175.2	170.4	6.2	112.8	G230 E231 V377 G378 V379 R380	G230-R233 WeakPolarHBondContact O-CG 3.39Å; G230-R233 PolarHBondContact O-NE 3.22Å; E231-R233 VanDerWaalsContact C-N 3.27Å; E231-R233 PolarHBondContact O-N 3.3Å; E231-R233 VanDerWaalsContact O-N 3.17Å; R233-V377 VanDerWaalsContact CD-O 3.23Å; R233-V377 WeakPolarHBondContact CD-O 3.48Å; R233-V377 PolarHBondContact NH1-O 2.94Å; R233-G378 VanDerWaalsContact CB-O 3.29Å; R233-G378 WeakPolarHBondContact CB-O 3.28Å; R233-G378 VanDerWaalsContact CD-O 3.32Å; R233-G378 WeakPolarHBondContact CD-O 3.38Å; R233-V379 HydrophobicContact CB-CG2 4.44Å; R233-R380 PolarHBondContact O-NH2 2.95Å
234	G	86.5	Confident	86.5	Confident	10 Å²	10	30.4 Å²	30.4	10%	0.103	15%	0.153	C	C	.	.			trans	-66.7	-171.7	-176.1	0	0	0	0	0	114.2	S144 R380	S144-G234 WeakPolarHBondContact O-CA 3.32Å; G234-R380 PolarHBondContact O-N 2.85Å
235	F	94.5	Very high	86.6	Confident	1 Å²	1	28.6 Å²	28.6	0%	0.004	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	150.7	170.3	-72	-95.4	0	0	0	110.4	S144 I145 L146 S226 R380 M382 F413 M500 Y552	S144-F235 PolarHBondContact O-N 3.41Å; S144-F235 VanDerWaalsContact O-N 3.13Å; I145-F235 CarbonylContact C-O 3.52Å; I145-F235 VanDerWaalsContact CA-O 3.31Å; I145-F235 WeakPolarHBondContact CA-O 3.23Å; I145-F235 HydrophobicContact CB-CB 4.05Å; I145-F235 HydrophobicContact CG1-CB 3.96Å; I145-F235 HydrophobicContact CG1-CD2 4.23Å; I145-F235 HydrophobicContact CG1-CG 4.4Å; I145-F235 HydrophobicContact CG2-CB 3.68Å; L146-F235 PolarHBondContact N-O 3.04Å; S226-F235 PolarHBondContact OG-O 3.06Å; F235-R380 CarbonylContact C-O 3.53Å; F235-R380 VanDerWaalsContact CA-O 3.25Å; F235-R380 WeakPolarHBondContact CA-O 3.44Å; F235-R380 HydrophobicContact CD1-CB 3.37Å; F235-R380 HydrophobicContact CE1-CB 3.41Å; F235-R380 VanDerWaalsContact CE1-CB 3.41Å; F235-R380 HydrophobicContact CE1-CG 4.18Å; F235-R380 HydrophobicContact CG-CB 4.08Å; F235-R380 HydrophobicContact CZ-CB 4.13Å; F235-M382 HydrophobicContact CD1-CB 4.19Å; F235-M382 HydrophobicContact CD1-CE 3.73Å; F235-M382 HydrophobicContact CE1-CE 3.82Å; F235-M382 HydrophobicContact CG-CE 4.09Å; F235-M382 HydrophobicContact CZ-CE 4.27Å; F235-F413 HydrophobicContact CD1-CD2 4.49Å; F235-F413 HydrophobicContact CE1-CB 4.44Å; F235-F413 HydrophobicContact CE1-CD1 4.14Å; F235-F413 AromaticContact CE1-CD2 3.54Å; F235-F413 HydrophobicContact CE1-CD2 3.54Å; F235-F413 HydrophobicContact CE1-CE1 4.28Å; F235-F413 AromaticContact CE1-CE2 3.69Å; F235-F413 HydrophobicContact CE1-CE2 3.69Å; F235-F413 AromaticContact CE1-CG 3.79Å; F235-F413 HydrophobicContact CE1-CG 3.79Å; F235-F413 HydrophobicContact CE1-CZ 4.06Å; F235-F413 HydrophobicContact CZ-CD1 4.42Å; F235-F413 HydrophobicContact CZ-CD2 4.31Å; F235-F413 HydrophobicContact CZ-CE1 4.19Å; F235-F413 HydrophobicContact CZ-CE2 4.06Å; F235-F413 HydrophobicContact CZ-CG 4.49Å; F235-F413 HydrophobicContact CZ-CZ 4Å; F235-M500 HydrophobicContact CD2-CE 3.96Å; F235-M500 HydrophobicContact CE2-CE 3.63Å; F235-M500 HydrophobicContact CZ-CE 4.12Å; F235-Y552 AromaticContact CD2-CD1 3.68Å; F235-Y552 HydrophobicContact CD2-CD1 3.68Å; F235-Y552 AromaticContact CD2-CE1 3.42Å; F235-Y552 HydrophobicContact CD2-CE1 3.42Å; F235-Y552 VanDerWaalsContact CD2-CE1 3.42Å; F235-Y552 HydrophobicContact CD2-CG 4.44Å; F235-Y552 HydrophobicContact CE2-CD1 4.03Å; F235-Y552 AromaticContact CE2-CE1 3.53Å; F235-Y552 HydrophobicContact CE2-CE1 3.53Å; F235-Y552 HydrophobicContact CE2-CE2 4.11Å; F235-Y552 AromaticContact CE2-CZ 3.59Å
236	T	95.3	Very high	86.8	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	128.4	161	-65.9	0	0	0	0	108.8	C222 I223 S226 I238 R380 M382	C222-T236 HydrophobicContact CB-CG2 3.45Å; C222-T236 VanDerWaalsContact CB-CG2 3.45Å; C222-T236 PolarHBondContact O-OG1 3.04Å; I223-T236 WeakPolarHBondContact CA-OG1 3.5Å; I223-T236 HydrophobicContact CG1-CG2 4.05Å; I223-T236 PolarHBondContact N-OG1 3.48Å; S226-T236 PolarHBondContact OG-OG1 2.97Å; S226-T236 VanDerWaalsContact OG-OG1 3.1Å; T236-I238 HydrophobicContact CG2-CG2 4.33Å; T236-R380 PolarHBondContact N-O 2.77Å; T236-M382 PolarHBondContact O-N 2.87Å
237	A	95.5	Very high	86.9	Confident	0 Å²	0	29 Å²	29	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	135.5	174.9	0	0	0	0	0	111.1	I145 L146 D147 M382 Y554	I145-A237 HydrophobicContact CG2-CB 4.15Å; L146-A237 PolarHBondContact O-N 3.33Å; D147-A237 HydrophobicContact CB-CB 4.34Å; A237-M382 CarbonylContact C-O 3.42Å; A237-M382 WeakPolarHBondContact CA-O 3.43Å; A237-Y554 HydrophobicContact CB-CE2 3.7Å
238	I	95.9	Very high	87	Confident	3 Å²	3	27.6 Å²	27.6	2%	0.015	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	158.8	175.9	69.7	167.9	0	0	0	111	F219 T236 L370 V381 M382 V383 D384	F219-I238 HydrophobicContact CB-CG2 4.02Å; F219-I238 HydrophobicContact CD1-CB 4.33Å; F219-I238 HydrophobicContact CD1-CG2 3.77Å; F219-I238 HydrophobicContact CD2-CB 4.45Å; F219-I238 HydrophobicContact CD2-CG2 4.2Å; F219-I238 HydrophobicContact CE1-CB 4.34Å; F219-I238 HydrophobicContact CE1-CG2 4.27Å; F219-I238 HydrophobicContact CE2-CB 4.47Å; F219-I238 HydrophobicContact CG-CB 4.4Å; F219-I238 HydrophobicContact CG-CG2 3.74Å; F219-I238 HydrophobicContact CZ-CB 4.41Å; T236-I238 HydrophobicContact CG2-CG2 4.33Å; I238-L370 HydrophobicContact CD1-CD1 4.35Å; I238-V381 HydrophobicContact CD1-CG1 3.53Å; I238-V381 HydrophobicContact CG1-CG1 3.66Å; I238-V381 HydrophobicContact CG2-CG1 4.12Å; I238-M382 PolarHBondContact N-O 3.28Å; I238-V383 HydrophobicContact CD1-CG2 4.13Å; I238-V383 HydrophobicContact CG1-CB 4.48Å; I238-V383 HydrophobicContact CG1-CG2 4.06Å; I238-D384 PolarHBondContact O-N 3.41Å
239	K	94.7	Very high	87.3	Confident	5 Å²	5	21.5 Å²	21.5	2%	0.022	11%	0.108	C	C	.	.			trans	-125.2	133.5	172.2	-71.4	-167.3	172.3	-132	0	110.2	R202 Y204 T241 A242 D384 E386 Y450	R202-K239 HydrophobicContact CB-CD 4.35Å; R202-K239 WeakPolarHBondContact O-CE 3.42Å; R202-K239 PolarHBondContact O-NZ 3.23Å; Y204-K239 HydrophobicContact CD2-CB 4.15Å; Y204-K239 HydrophobicContact CD2-CD 4.23Å; Y204-K239 HydrophobicContact CE2-CB 3.96Å; Y204-K239 HydrophobicContact CE2-CD 4.05Å; Y204-K239 HydrophobicContact CE2-CG 4.36Å; K239-T241 VanDerWaalsContact C-N 3.35Å; K239-T241 PolarHBondContact O-N 2.77Å; K239-A242 VanDerWaalsContact O-CB 3.23Å; K239-A242 WeakPolarHBondContact O-CB 3.28Å; K239-A242 PolarHBondContact O-N 3.26Å; K239-A242 VanDerWaalsContact O-N 3.14Å; K239-D384 HydrophobicContact CG-CB 3.91Å; K239-E386 HydrophobicContact CD-CG 4.48Å; K239-Y450 PolarHBondContact NZ-OH 3.16Å
240	L	95.3	Very high	87.9	Confident	2 Å²	2	20.4 Å²	20.4	1%	0.01	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-69.7	-32.7	-176.3	-62.5	-165.4	0	0	0	112.3	A242 L243 L249 V367 V383 E386 I394 L397	L240-A242 PolarHBondContact O-N 3Å; L240-A242 VanDerWaalsContact O-N 3.1Å; L240-L243 HydrophobicContact CD2-CD1 4.35Å; L240-L243 PolarHBondContact O-N 3.01Å; L240-L249 HydrophobicContact CB-CD1 3.85Å; L240-V367 HydrophobicContact CD2-CG1 4.4Å; L240-V367 HydrophobicContact CD2-CG2 3.59Å; L240-V383 HydrophobicContact CD1-CG1 4.34Å; L240-V383 HydrophobicContact CD2-CG1 4Å; L240-V383 HydrophobicContact CG-CG1 3.81Å; L240-E386 PolarHBondContact N-OE2 3.14Å; L240-I394 HydrophobicContact CB-CG1 4.28Å; L240-I394 HydrophobicContact CD1-CB 4.09Å; L240-I394 HydrophobicContact CD1-CG1 3.99Å; L240-I394 HydrophobicContact CD1-CG2 3.9Å; L240-I394 HydrophobicContact CG-CG1 4.42Å; L240-I394 HydrophobicContact CG-CG2 4.36Å; L240-L397 HydrophobicContact CD1-CB 4Å; L240-L397 HydrophobicContact CD1-CD1 3.75Å
241	T	94.5	Very high	89.2	Confident	2 Å²	2	19.3 Å²	19.3	1%	0.012	9%	0.091	C	C	.	.	G	3₁₀ helix	trans	-69.1	-6.2	174.4	68.4	0	0	0	0	114.7	R194 K239 L243 P246 L249 E386	R194-T241 PolarHBondContact NH2-OG1 3.21Å; R194-T241 VanDerWaalsContact NH2-OG1 3.16Å; K239-T241 VanDerWaalsContact C-N 3.35Å; K239-T241 PolarHBondContact O-N 2.77Å; T241-L243 VanDerWaalsContact C-N 3.33Å; T241-P246 HydrophobicContact CG2-CB 3.92Å; T241-P246 HydrophobicContact CG2-CG 4.13Å; T241-L249 HydrophobicContact CG2-CD1 3.72Å; T241-E386 WeakPolarHBondContact CB-OE1 3.29Å; T241-E386 WeakPolarHBondContact CB-OE2 3.44Å; T241-E386 VanDerWaalsContact CG2-CD 3.43Å; T241-E386 WeakPolarHBondContact CG2-OE1 3.35Å; T241-E386 WeakPolarHBondContact CG2-OE2 3.41Å; T241-E386 PolarHBondContact N-OE2 3.21Å; T241-E386 PolarHBondContact OG1-OE1 3.1Å; T241-E386 PolarHBondContact OG1-OE2 3.41Å; T241-E386 VanDerWaalsContact OG1-OE2 3.12Å
242	A	94.3	Very high	90.8	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.047	C	C	.	.	G	3₁₀ helix	trans	-79.4	-20.2	168.8	0	0	0	0	0	112.4	Y204 N215 F219 K239 L240	Y204-A242 HydrophobicContact CD1-CB 3.79Å; Y204-A242 HydrophobicContact CD2-CB 3.59Å; Y204-A242 HydrophobicContact CE1-CB 3.79Å; Y204-A242 HydrophobicContact CE2-CB 3.57Å; Y204-A242 HydrophobicContact CG-CB 3.69Å; N215-A242 HydrophobicContact CB-CB 4.23Å; N215-A242 WeakPolarHBondContact CB-O 3.28Å; N215-A242 PolarHBondContact ND2-O 3.28Å; F219-A242 HydrophobicContact CE2-CB 3.71Å; F219-A242 HydrophobicContact CZ-CB 3.8Å; K239-A242 VanDerWaalsContact O-CB 3.23Å; K239-A242 WeakPolarHBondContact O-CB 3.28Å; K239-A242 PolarHBondContact O-N 3.26Å; K239-A242 VanDerWaalsContact O-N 3.14Å; L240-A242 PolarHBondContact O-N 3Å; L240-A242 VanDerWaalsContact O-N 3.1Å
243	L	96	Very high	92.3	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	3%	0.034	C	C	.	.	S	Bend	trans	-105.2	-2.6	-169.7	-57.9	175.5	0	0	0	113.1	M216 F219 L240 T241 M363 R366 V367 L370	M216-L243 HydrophobicContact CB-CD2 3.98Å; F219-L243 HydrophobicContact CD2-CD2 3.95Å; F219-L243 HydrophobicContact CE2-CD2 3.93Å; F219-L243 HydrophobicContact CE2-CG 4.38Å; L240-L243 HydrophobicContact CD2-CD1 4.35Å; L240-L243 PolarHBondContact O-N 3.01Å; T241-L243 VanDerWaalsContact C-N 3.33Å; L243-M363 HydrophobicContact CB-CG 4.22Å; L243-M363 WeakPolarHBondContact O-CA 3.35Å; L243-R366 HydrophobicContact CB-CB 4.26Å; L243-R366 HydrophobicContact CD2-CB 4.26Å; L243-R366 WeakPolarHBondContact O-CD 3.31Å; L243-R366 PolarHBondContact O-NH1 2.83Å; L243-V367 HydrophobicContact CD1-CG2 3.61Å; L243-L370 HydrophobicContact CD1-CD1 3.71Å; L243-L370 HydrophobicContact CD2-CD1 3.97Å; L243-L370 HydrophobicContact CG-CD1 4.5Å
244	G	94.3	Very high	93.1	Very high	0 Å²	0	3.3 Å²	3.3	0%	0	2%	0.018	C	C	.	.	S	Bend	trans	-173.4	-177.3	176.3	0	0	0	0	0	111.7
245	R	93.6	Very high	93	Very high	13 Å²	13	3.5 Å²	3.5	5%	0.049	2%	0.016	C	C	.	.			trans	-65.4	129.1	177.8	-75	-172.3	-160.1	-121.5	11.1	111.4	S166 E169 Y206 Q247 L248 E359	S166-R245 PolarHBondContact OG-NH1 2.98Å; S166-R245 VanDerWaalsContact OG-NH1 3.08Å; E169-R245 IonicContact OE2-CZ 2.69Å; E169-R245 IonicContact OE2-NH1 3.18Å; E169-R245 PolarHBondContact OE2-NH1 3.12Å; E169-R245 IonicContact OE2-NH2 3.39Å; E169-R245 PolarHBondContact OE2-NH2 3.24Å; Y206-R245 HydrophobicContact CD1-CG 3.74Å; Y206-R245 HydrophobicContact CD2-CB 4.25Å; Y206-R245 HydrophobicContact CD2-CG 3.34Å; Y206-R245 HydrophobicContact CE1-CG 3.97Å; Y206-R245 VanDerWaalsContact CE1-NE 3.31Å; Y206-R245 VanDerWaalsContact CE1-NH2 3.33Å; Y206-R245 HydrophobicContact CE2-CG 3.53Å; Y206-R245 HydrophobicContact CG-CB 4.43Å; Y206-R245 HydrophobicContact CG-CG 3.42Å; Y206-R245 VanDerWaalsContact CG-CG 3.42Å; Y206-R245 PolarHBondContact OH-NH2 3.27Å; R245-Q247 PolarHBondContact O-N 2.94Å; R245-L248 HydrophobicContact CB-CB 4.49Å; R245-L248 HydrophobicContact CB-CD1 4.02Å; R245-L248 HydrophobicContact CB-CG 3.97Å; R245-L248 WeakPolarHBondContact O-CB 3.5Å; R245-L248 PolarHBondContact O-N 2.83Å; R245-L248 VanDerWaalsContact O-N 3.14Å; R245-E359 WeakPolarHBondContact CD-OE2 3.23Å; R245-E359 WeakPolarHBondContact CG-OE2 3.45Å; R245-E359 IonicContact CZ-OE1 3.65Å; R245-E359 IonicContact CZ-OE2 3.95Å; R245-E359 VanDerWaalsContact NE-CD 3.33Å; R245-E359 IonicContact NE-OE1 3.15Å; R245-E359 PolarHBondContact NE-OE1 3.13Å; R245-E359 IonicContact NE-OE2 3.91Å; R245-E359 PolarHBondContact NE-OE2 2.72Å; R245-E359 IonicContact NH2-OE1 3.99Å; R245-E359 PolarHBondContact NH2-OE1 3.16Å; R245-E359 IonicContact NH2-OE2 2.95Å
246	P	94.6	Very high	92.4	Very high	4 Å²	4	4.8 Å²	4.8	3%	0.026	2%	0.023	C	C	.	.	H	α-helix	trans	-55.8	-36.1	172.2	-21.1	28.8	0	0	0	112.8	R194 T241 L248 L249 Q250 F390	R194-P246 VanDerWaalsContact NH2-CG 3.32Å; T241-P246 HydrophobicContact CG2-CB 3.92Å; T241-P246 HydrophobicContact CG2-CG 4.13Å; P246-L248 PolarHBondContact O-N 2.92Å; P246-L249 PolarHBondContact O-N 3.21Å; P246-L249 VanDerWaalsContact O-N 3.14Å; P246-Q250 PolarHBondContact O-N 3.49Å; P246-F390 HydrophobicContact CB-CE1 3.77Å; P246-F390 HydrophobicContact CB-CZ 3.72Å; P246-F390 WeakPolarHBondContact O-CE1 3.24Å
247	Q	93.1	Very high	92	Very high	11 Å²	11	6 Å²	6	5%	0.051	3%	0.031	C	C	.	.	H	α-helix	trans	-61.5	-32	-178.5	-72.1	65.4	37.6	0	0	112.4	I187 R245 Q250 Q251	I187-Q247 HydrophobicContact CD1-CB 3.92Å; I187-Q247 HydrophobicContact CD1-CG 3.96Å; I187-Q247 HydrophobicContact CG2-CG 4.49Å; R245-Q247 PolarHBondContact O-N 2.94Å; Q247-Q250 PolarHBondContact O-N 3.06Å; Q247-Q251 WeakPolarHBondContact O-CB 3.48Å; Q247-Q251 PolarHBondContact O-N 2.84Å
248	L	92.1	Very high	91.3	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-67.9	-45.3	175	-67	175.9	0	0	0	111.2	V170 R245 P246 Q250 Q251 M252 L352 E359 M360	V170-L248 HydrophobicContact CB-CD2 4.01Å; V170-L248 HydrophobicContact CG2-CD2 4.03Å; V170-L248 HydrophobicContact CG2-CG 4.37Å; R245-L248 HydrophobicContact CB-CB 4.49Å; R245-L248 HydrophobicContact CB-CD1 4.02Å; R245-L248 HydrophobicContact CB-CG 3.97Å; R245-L248 WeakPolarHBondContact O-CB 3.5Å; R245-L248 PolarHBondContact O-N 2.83Å; R245-L248 VanDerWaalsContact O-N 3.14Å; P246-L248 PolarHBondContact O-N 2.92Å; L248-Q250 VanDerWaalsContact C-N 3.27Å; L248-Q250 PolarHBondContact O-N 3.27Å; L248-Q251 PolarHBondContact O-N 3.23Å; L248-M252 VanDerWaalsContact O-CB 3.29Å; L248-M252 WeakPolarHBondContact O-CB 3.47Å; L248-M252 PolarHBondContact O-N 2.8Å; L248-L352 HydrophobicContact CD2-CD2 3.69Å; L248-E359 HydrophobicContact CD1-CB 3.74Å; L248-M360 HydrophobicContact CB-CE 3.76Å; L248-M360 HydrophobicContact CB-SD 4.49Å; L248-M360 HydrophobicContact CD1-CB 4.34Å; L248-M360 WeakPolarHBondContact O-CE 3.25Å
249	L	93.1	Very high	90.3	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-62.4	-36.4	173.8	-69.6	171.2	0	0	0	112	L240 T241 P246 S253 M363 F390 A393 I394 L397	L240-L249 HydrophobicContact CB-CD1 3.85Å; T241-L249 HydrophobicContact CG2-CD1 3.72Å; P246-L249 PolarHBondContact O-N 3.21Å; P246-L249 VanDerWaalsContact O-N 3.14Å; L249-S253 WeakPolarHBondContact O-CB 3.11Å; L249-S253 PolarHBondContact O-N 3.11Å; L249-S253 PolarHBondContact O-OG 3.19Å; L249-M363 HydrophobicContact CD1-SD 4.08Å; L249-M363 HydrophobicContact CD2-CE 3.5Å; L249-M363 HydrophobicContact CD2-SD 3.96Å; L249-M363 HydrophobicContact CG-CE 3.81Å; L249-M363 HydrophobicContact CG-SD 3.86Å; L249-F390 HydrophobicContact CB-CD1 3.99Å; L249-A393 HydrophobicContact CB-CB 4.3Å; L249-A393 HydrophobicContact CD2-CB 4Å; L249-A393 WeakPolarHBondContact O-CB 3.46Å; L249-I394 HydrophobicContact CD1-CG1 4.31Å; L249-L397 HydrophobicContact CD2-CD1 3.58Å
250	Q	92.9	Very high	89.5	Confident	8 Å²	8	9.3 Å²	9.3	4%	0.037	5%	0.045	C	C	.	.	H	α-helix	trans	-70.7	-44.6	178.1	-176.3	161.9	5.7	0	0	111.9	Y185 Q186 I187 P246 Q247 L248 M252 S253 D254 Y389 F390	Y185-Q250 WeakPolarHBondContact O-CG 3.07Å; Y185-Q250 PolarHBondContact O-NE2 3.44Å; Q186-Q250 PolarHBondContact O-NE2 2.83Å; I187-Q250 HydrophobicContact CG1-CB 4.25Å; I187-Q250 HydrophobicContact CG1-CG 3.8Å; P246-Q250 PolarHBondContact O-N 3.49Å; Q247-Q250 PolarHBondContact O-N 3.06Å; L248-Q250 VanDerWaalsContact C-N 3.27Å; L248-Q250 PolarHBondContact O-N 3.27Å; Q250-M252 VanDerWaalsContact C-N 3.33Å; Q250-S253 WeakPolarHBondContact O-CB 2.93Å; Q250-S253 PolarHBondContact O-N 3.15Å; Q250-D254 PolarHBondContact O-N 3.27Å; Q250-Y389 HydrophobicContact CG-CD2 4.18Å; Q250-F390 HydrophobicContact CB-CD1 3.85Å; Q250-F390 HydrophobicContact CB-CE1 3.7Å
251	Q	89.4	Confident	88.8	Confident	7 Å²	7	14.2 Å²	14.2	3%	0.033	6%	0.064	C	C	.	.	H	α-helix	trans	-61.3	-43.7	173.8	-179.7	-83.3	-12.5	0	0	110.8	L171 Q247 L248 S253 D254 F255 V349 P350 L352	L171-Q251 HydrophobicContact CD1-CB 4.29Å; L171-Q251 HydrophobicContact CD2-CB 3.88Å; L171-Q251 HydrophobicContact CD2-CG 3.74Å; Q247-Q251 WeakPolarHBondContact O-CB 3.48Å; Q247-Q251 PolarHBondContact O-N 2.84Å; L248-Q251 PolarHBondContact O-N 3.23Å; Q251-S253 VanDerWaalsContact C-N 3.27Å; Q251-S253 PolarHBondContact O-N 2.95Å; Q251-D254 WeakPolarHBondContact O-CB 3.31Å; Q251-D254 PolarHBondContact O-N 3.26Å; Q251-F255 PolarHBondContact O-N 3.26Å; Q251-V349 HydrophobicContact CG-CG1 4.34Å; Q251-P350 HydrophobicContact CG-CB 4.33Å; Q251-P350 PolarHBondContact NE2-O 2.73Å; Q251-L352 HydrophobicContact CG-CD2 4.2Å
252	M	87.5	Confident	87.9	Confident	1 Å²	1	14.7 Å²	14.7	1%	0.005	7%	0.066	C	C	.	.	H	α-helix	trans	-62	-38.1	176.1	-176.9	-172	-173.8	0	0	111.2	L248 Q250 F255 L256 L324 F327 M360 A393 R396 L397	L248-M252 VanDerWaalsContact O-CB 3.29Å; L248-M252 WeakPolarHBondContact O-CB 3.47Å; L248-M252 PolarHBondContact O-N 2.8Å; Q250-M252 VanDerWaalsContact C-N 3.33Å; M252-F255 PolarHBondContact O-N 3.46Å; M252-L256 HydrophobicContact CE-CD1 4.25Å; M252-L256 HydrophobicContact CG-CD1 4.11Å; M252-L256 HydrophobicContact CG-CG 4.49Å; M252-L256 WeakPolarHBondContact O-CB 3.41Å; M252-L256 VanDerWaalsContact O-CG 3.25Å; M252-L256 WeakPolarHBondContact O-CG 3.38Å; M252-L256 PolarHBondContact O-N 3.38Å; M252-L324 HydrophobicContact CE-CD2 3.67Å; M252-F327 HydrophobicContact CE-CD1 4.39Å; M252-F327 HydrophobicContact CE-CD2 3.98Å; M252-F327 HydrophobicContact CE-CE1 4.19Å; M252-F327 HydrophobicContact CE-CE2 3.77Å; M252-F327 HydrophobicContact CE-CG 4.28Å; M252-F327 HydrophobicContact CE-CZ 3.88Å; M252-F327 HydrophobicContact CG-CD1 4.27Å; M252-F327 HydrophobicContact CG-CE1 3.77Å; M252-F327 HydrophobicContact CG-CZ 4.13Å; M252-M360 HydrophobicContact CB-CE 3.93Å; M252-M360 HydrophobicContact CG-CE 4.48Å; M252-M360 HydrophobicContact SD-CE 4.26Å; M252-A393 HydrophobicContact CB-CB 3.8Å; M252-A393 HydrophobicContact CG-CB 3.79Å; M252-A393 HydrophobicContact SD-CB 3.62Å; M252-R396 HydrophobicContact CE-CB 4.35Å; M252-R396 HydrophobicContact CE-CG 3.91Å; M252-L397 HydrophobicContact CE-CD2 4.49Å; M252-L397 HydrophobicContact CE-CG 4.49Å; M252-L397 HydrophobicContact SD-CG 4.49Å
253	S	91.7	Very high	86.8	Confident	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-65.8	-43.8	176.3	-62.4	0	0	0	0	111.8	L249 Q250 Q251 L256 V257 Y389 F390 A393	L249-S253 WeakPolarHBondContact O-CB 3.11Å; L249-S253 PolarHBondContact O-N 3.11Å; L249-S253 PolarHBondContact O-OG 3.19Å; Q250-S253 WeakPolarHBondContact O-CB 2.93Å; Q250-S253 PolarHBondContact O-N 3.15Å; Q251-S253 VanDerWaalsContact C-N 3.27Å; Q251-S253 PolarHBondContact O-N 2.95Å; S253-L256 PolarHBondContact O-N 2.74Å; S253-V257 WeakPolarHBondContact O-CB 3.45Å; S253-V257 VanDerWaalsContact O-CG2 3.29Å; S253-V257 WeakPolarHBondContact O-CG2 3.47Å; S253-V257 PolarHBondContact O-N 3Å; S253-V257 VanDerWaalsContact O-N 3.08Å; S253-Y389 VanDerWaalsContact CB-O 3.28Å; S253-Y389 WeakPolarHBondContact CB-O 3.33Å; S253-Y389 PolarHBondContact OG-O 3.4Å; S253-F390 PolarHBondContact OG-O 3.18Å; S253-A393 WeakPolarHBondContact OG-CB 3.35Å; S253-A393 PolarHBondContact OG-N 3.15Å
254	D	89.4	Confident	85.8	Confident	3 Å²	3	18.6 Å²	18.6	2%	0.016	8%	0.083	C	C	.	.	H	α-helix	trans	-59.3	-47.9	174.3	-166.3	6.1	0	0	0	110.4	R177 Q250 Q251 V257 Q258 V349	R177-D254 IonicContact CZ-OD2 3.21Å; R177-D254 IonicContact NH1-OD2 2.68Å; R177-D254 PolarHBondContact NH1-OD2 2.98Å; R177-D254 IonicContact NH2-OD1 2.81Å; R177-D254 PolarHBondContact NH2-OD1 2.6Å; R177-D254 IonicContact NH2-OD2 3.46Å; R177-D254 PolarHBondContact NH2-OD2 3.29Å; Q250-D254 PolarHBondContact O-N 3.27Å; Q251-D254 WeakPolarHBondContact O-CB 3.31Å; Q251-D254 PolarHBondContact O-N 3.26Å; D254-V257 PolarHBondContact O-N 3.43Å; D254-Q258 WeakPolarHBondContact O-CG 3.37Å; D254-Q258 PolarHBondContact O-N 3.19Å; D254-Q258 PolarHBondContact OD1-NE2 2.94Å; D254-V349 HydrophobicContact CB-CG1 4.45Å
255	F	84.2	Confident	84.9	Confident	14 Å²	14	24 Å²	24	6%	0.061	11%	0.112	C	C	.	.	H	α-helix	trans	-53.3	-59.4	174.9	-177.5	-98.4	0	0	0	112	Q251 M252 V257 Q258 M259 F327 L331 A332 F335 V349	Q251-F255 PolarHBondContact O-N 3.26Å; M252-F255 PolarHBondContact O-N 3.46Å; F255-V257 PolarHBondContact O-N 2.94Å; F255-Q258 PolarHBondContact O-N 3.35Å; F255-M259 HydrophobicContact CD1-CG 3.93Å; F255-M259 HydrophobicContact CD2-CG 4.09Å; F255-M259 HydrophobicContact CE1-CG 3.63Å; F255-M259 HydrophobicContact CE2-CG 3.75Å; F255-M259 HydrophobicContact CE2-SD 3.98Å; F255-M259 HydrophobicContact CG-CG 4.18Å; F255-M259 HydrophobicContact CZ-CG 3.52Å; F255-M259 HydrophobicContact CZ-SD 4.1Å; F255-M259 WeakPolarHBondContact O-CB 3.48Å; F255-M259 WeakPolarHBondContact O-CG 3.32Å; F255-M259 PolarHBondContact O-N 3.23Å; F255-F327 HydrophobicContact CD1-CD1 4.38Å; F255-F327 AromaticContact CD1-CE1 3.28Å; F255-F327 HydrophobicContact CD1-CE1 3.28Å; F255-F327 AromaticContact CD1-CZ 3.54Å; F255-F327 HydrophobicContact CD1-CZ 3.54Å; F255-F327 AromaticContact CE1-CE1 3.65Å; F255-F327 HydrophobicContact CE1-CE1 3.65Å; F255-F327 AromaticContact CE1-CZ 3.75Å; F255-F327 HydrophobicContact CE1-CZ 3.75Å; F255-F327 HydrophobicContact CG-CE1 4.15Å; F255-L331 HydrophobicContact CE2-CB 4.09Å; F255-L331 HydrophobicContact CZ-CB 3.68Å; F255-L331 HydrophobicContact CZ-CD1 4.36Å; F255-A332 HydrophobicContact CD2-CB 4.02Å; F255-A332 HydrophobicContact CE2-CB 4.21Å; F255-F335 HydrophobicContact CE2-CD2 4.3Å; F255-F335 HydrophobicContact CE2-CE2 4.48Å; F255-V349 HydrophobicContact CB-CG1 3.93Å; F255-V349 HydrophobicContact CB-CG2 4.41Å; F255-V349 HydrophobicContact CD2-CB 4.41Å; F255-V349 HydrophobicContact CD2-CG1 4.38Å; F255-V349 HydrophobicContact CD2-CG2 4.19Å
256	L	83.4	Confident	83.7	Confident	27 Å²	27	23.6 Å²	23.6	14%	0.141	11%	0.11	C	C	.	.	H	α-helix	trans	-54.5	-40.1	-177.9	-74.3	168	0	0	0	112.5	M252 S253 K260 F327 P392 R396	M252-L256 HydrophobicContact CE-CD1 4.25Å; M252-L256 HydrophobicContact CG-CD1 4.11Å; M252-L256 HydrophobicContact CG-CG 4.49Å; M252-L256 WeakPolarHBondContact O-CB 3.41Å; M252-L256 VanDerWaalsContact O-CG 3.25Å; M252-L256 WeakPolarHBondContact O-CG 3.38Å; M252-L256 PolarHBondContact O-N 3.38Å; S253-L256 PolarHBondContact O-N 2.74Å; L256-K260 WeakPolarHBondContact O-CB 3.45Å; L256-K260 PolarHBondContact O-N 3.39Å; L256-F327 HydrophobicContact CD2-CE2 4.06Å; L256-F327 HydrophobicContact CD2-CZ 3.57Å; L256-F327 HydrophobicContact CG-CZ 3.88Å; L256-P392 HydrophobicContact CD1-CB 4.41Å; L256-R396 HydrophobicContact CD1-CB 3.81Å; L256-R396 HydrophobicContact CD1-CG 4.09Å; L256-R396 HydrophobicContact CD2-CG 4.43Å
257	V	86.3	Confident	82.6	Confident	27 Å²	27	23.8 Å²	23.8	16%	0.164	11%	0.111	C	C	.	.	H	α-helix	trans	-74.2	-43.2	-178.8	173.4	0	0	0	0	111.8	T182 Y185 S253 D254 F255 M259 K260 R261 P392	T182-V257 HydrophobicContact CG2-CG1 3.83Å; Y185-V257 HydrophobicContact CD2-CB 4.11Å; Y185-V257 HydrophobicContact CD2-CG1 4.07Å; Y185-V257 HydrophobicContact CD2-CG2 4.1Å; Y185-V257 HydrophobicContact CE1-CG2 4.16Å; Y185-V257 HydrophobicContact CE2-CB 4Å; Y185-V257 HydrophobicContact CE2-CG1 3.7Å; Y185-V257 HydrophobicContact CE2-CG2 3.69Å; S253-V257 WeakPolarHBondContact O-CB 3.45Å; S253-V257 VanDerWaalsContact O-CG2 3.29Å; S253-V257 WeakPolarHBondContact O-CG2 3.47Å; S253-V257 PolarHBondContact O-N 3Å; S253-V257 VanDerWaalsContact O-N 3.08Å; D254-V257 PolarHBondContact O-N 3.43Å; F255-V257 PolarHBondContact O-N 2.94Å; V257-M259 VanDerWaalsContact C-N 3.26Å; V257-M259 PolarHBondContact O-N 3.4Å; V257-K260 PolarHBondContact O-N 2.88Å; V257-R261 VanDerWaalsContact O-CG 3.28Å; V257-R261 WeakPolarHBondContact O-CG 3.4Å; V257-R261 PolarHBondContact O-N 3.21Å; V257-P392 HydrophobicContact CG2-CB 4.12Å; V257-P392 HydrophobicContact CG2-CG 3.83Å
258	Q	81	Confident	81.3	Confident	6 Å²	6	31.1 Å²	31.1	3%	0.028	14%	0.143	C	C	.	.	H	α-helix	trans	-62.9	-38.9	174.4	-58	-45.8	-25.9	0	0	110.8	D254 F255 R261 L262 V349	D254-Q258 WeakPolarHBondContact O-CG 3.37Å; D254-Q258 PolarHBondContact O-N 3.19Å; D254-Q258 PolarHBondContact OD1-NE2 2.94Å; F255-Q258 PolarHBondContact O-N 3.35Å; Q258-R261 PolarHBondContact O-N 3.39Å; Q258-R261 VanDerWaalsContact OE1-NH1 3.12Å; Q258-L262 WeakPolarHBondContact O-CB 3.49Å; Q258-L262 PolarHBondContact O-N 3.49Å; Q258-V349 HydrophobicContact CB-CG2 3.97Å; Q258-V349 HydrophobicContact CG-CG2 3.72Å
259	M	75.6	Confident	79.3	Confident	11 Å²	11	34.9 Å²	34.9	5%	0.054	17%	0.174	C	C	.	.	H	α-helix	trans	-64.3	-46.6	177.5	-69.3	-40.6	-64.9	0	0	112.3	F255 V257 R261 L262 F263 W321 F335	F255-M259 HydrophobicContact CD1-CG 3.93Å; F255-M259 HydrophobicContact CD2-CG 4.09Å; F255-M259 HydrophobicContact CE1-CG 3.63Å; F255-M259 HydrophobicContact CE2-CG 3.75Å; F255-M259 HydrophobicContact CE2-SD 3.98Å; F255-M259 HydrophobicContact CG-CG 4.18Å; F255-M259 HydrophobicContact CZ-CG 3.52Å; F255-M259 HydrophobicContact CZ-SD 4.1Å; F255-M259 WeakPolarHBondContact O-CB 3.48Å; F255-M259 WeakPolarHBondContact O-CG 3.32Å; F255-M259 PolarHBondContact O-N 3.23Å; V257-M259 VanDerWaalsContact C-N 3.26Å; V257-M259 PolarHBondContact O-N 3.4Å; M259-R261 VanDerWaalsContact C-N 3.26Å; M259-R261 PolarHBondContact O-N 2.85Å; M259-L262 HydrophobicContact CE-CD2 4.19Å; M259-L262 PolarHBondContact O-N 3.49Å; M259-F263 WeakPolarHBondContact O-CB 3.49Å; M259-F263 PolarHBondContact O-N 3.29Å; M259-W321 HydrophobicContact CE-CE3 3.84Å; M259-W321 HydrophobicContact CE-CH2 4Å; M259-W321 HydrophobicContact CE-CZ3 3.18Å; M259-F335 HydrophobicContact CE-CD1 4.3Å; M259-F335 HydrophobicContact CE-CD2 4.1Å; M259-F335 HydrophobicContact CE-CE1 3.64Å; M259-F335 HydrophobicContact CE-CE2 3.41Å; M259-F335 VanDerWaalsContact CE-CE2 3.41Å; M259-F335 HydrophobicContact CE-CZ 3.16Å; M259-F335 HydrophobicContact SD-CD1 4.37Å; M259-F335 HydrophobicContact SD-CD2 3.77Å; M259-F335 HydrophobicContact SD-CE1 4.28Å; M259-F335 HydrophobicContact SD-CE2 3.67Å; M259-F335 HydrophobicContact SD-CG 4.15Å; M259-F335 HydrophobicContact SD-CZ 3.96Å
260	K	77.7	Confident	77.2	Confident	60 Å²	60	38.5 Å²	38.5	26%	0.261	19%	0.193	S	C	.	.	H	α-helix	trans	-55.9	-42.4	172.8	-178.8	173.6	175	179.8	0	111.2	L256 V257 F264 E425	L256-K260 WeakPolarHBondContact O-CB 3.45Å; L256-K260 PolarHBondContact O-N 3.39Å; V257-K260 PolarHBondContact O-N 2.88Å; K260-F264 HydrophobicContact CD-CE2 4.16Å; K260-F264 HydrophobicContact CG-CD2 3.9Å; K260-F264 HydrophobicContact CG-CE2 3.54Å; K260-F264 WeakPolarHBondContact O-CD2 3.31Å; K260-F264 PolarHBondContact O-N 3.36Å; K260-E425 IonicContact NZ-OE1 2.71Å; K260-E425 PolarHBondContact NZ-OE1 3.33Å
261	R	79.6	Confident	74.8	Confident	105 Å²	105	43.6 Å²	43.6	40%	0.396	22%	0.221	S	C	.	.	H	α-helix	trans	-67.2	-44	178	-69.8	172.6	80.7	-154.1	7.3	112.3	A180 V257 Q258 M259 F263 F264 L265	A180-R261 VanDerWaalsContact O-CZ 3.32Å; A180-R261 PolarHBondContact O-NH1 3.39Å; A180-R261 PolarHBondContact O-NH2 3.42Å; V257-R261 VanDerWaalsContact O-CG 3.28Å; V257-R261 WeakPolarHBondContact O-CG 3.4Å; V257-R261 PolarHBondContact O-N 3.21Å; Q258-R261 PolarHBondContact O-N 3.39Å; Q258-R261 VanDerWaalsContact OE1-NH1 3.12Å; M259-R261 VanDerWaalsContact C-N 3.26Å; M259-R261 PolarHBondContact O-N 2.85Å; R261-F263 VanDerWaalsContact C-N 3.35Å; R261-F264 PolarHBondContact O-N 3.28Å; R261-L265 WeakPolarHBondContact O-CG 3.41Å; R261-L265 PolarHBondContact O-N 2.93Å
262	L	75.1	Confident	72.7	Confident	12 Å²	12	47.4 Å²	47.4	6%	0.063	26%	0.262	C	S	.	.	H	α-helix	trans	-60.4	-46.6	176.4	179.3	60.5	0	0	0	110.6	Q258 M259 F264 L265 L266 L289 L292 I294 F335	Q258-L262 WeakPolarHBondContact O-CB 3.49Å; Q258-L262 PolarHBondContact O-N 3.49Å; M259-L262 HydrophobicContact CE-CD2 4.19Å; M259-L262 PolarHBondContact O-N 3.49Å; L262-F264 VanDerWaalsContact C-N 3.32Å; L262-F264 PolarHBondContact O-N 2.96Å; L262-L265 WeakPolarHBondContact O-CB 3.39Å; L262-L265 PolarHBondContact O-N 3.24Å; L262-L265 VanDerWaalsContact O-N 3.09Å; L262-L266 HydrophobicContact CD1-CD1 4.25Å; L262-L266 HydrophobicContact CD1-CG 4.31Å; L262-L266 HydrophobicContact CG-CD1 4.02Å; L262-L266 VanDerWaalsContact O-CG 3.3Å; L262-L266 WeakPolarHBondContact O-CG 3.5Å; L262-L266 PolarHBondContact O-N 3.12Å; L262-L289 HydrophobicContact CD2-CD2 4.37Å; L262-L292 HydrophobicContact CD1-CD1 4.1Å; L262-I294 HydrophobicContact CD1-CD1 3.82Å; L262-I294 HydrophobicContact CD2-CD1 4.32Å; L262-F335 HydrophobicContact CD2-CD1 3.71Å; L262-F335 HydrophobicContact CD2-CE1 3.66Å
263	F	72.8	Confident	70.2	Confident	2 Å²	2	54.8 Å²	54.8	1%	0.009	30%	0.297	C	S	.	.	H	α-helix	trans	-55.8	-46.4	175.1	-178.4	-93.4	0	0	0	112	M259 R261 L265 L266 T267 V278 L280 L318 W321	M259-F263 WeakPolarHBondContact O-CB 3.49Å; M259-F263 PolarHBondContact O-N 3.29Å; R261-F263 VanDerWaalsContact C-N 3.35Å; F263-L265 VanDerWaalsContact C-N 3.32Å; F263-L265 PolarHBondContact O-N 3.03Å; F263-L266 PolarHBondContact O-N 3.37Å; F263-T267 HydrophobicContact CD1-CG2 4.05Å; F263-T267 HydrophobicContact CD2-CG2 4.4Å; F263-T267 HydrophobicContact CE1-CG2 3.55Å; F263-T267 HydrophobicContact CE2-CG2 3.97Å; F263-T267 HydrophobicContact CG-CG2 4.46Å; F263-T267 HydrophobicContact CZ-CG2 3.53Å; F263-T267 WeakPolarHBondContact O-CB 3.38Å; F263-T267 WeakPolarHBondContact O-CG2 3.26Å; F263-T267 PolarHBondContact O-N 3.46Å; F263-T267 PolarHBondContact O-OG1 3.29Å; F263-V278 WeakPolarHBondContact CZ-O 3.43Å; F263-L280 HydrophobicContact CD2-CD1 4.31Å; F263-L280 HydrophobicContact CE2-CD1 4.04Å; F263-L318 HydrophobicContact CD1-CD2 3.3Å; F263-L318 HydrophobicContact CD1-CG 3.83Å; F263-L318 HydrophobicContact CE1-CD1 4.1Å; F263-L318 HydrophobicContact CE1-CD2 3.47Å; F263-L318 VanDerWaalsContact CE1-CD2 3.47Å; F263-L318 HydrophobicContact CE1-CG 3.4Å; F263-L318 VanDerWaalsContact CE1-CG 3.4Å; F263-L318 HydrophobicContact CG-CD2 3.97Å; F263-L318 HydrophobicContact CZ-CD2 4.24Å; F263-L318 HydrophobicContact CZ-CG 3.97Å; F263-W321 AromaticContact CD2-CD1 3.4Å; F263-W321 VanDerWaalsContact CD2-CD1 3.4Å; F263-W321 HydrophobicContact CD2-CD2 4.36Å; F263-W321 AromaticContact CD2-CE2 3.75Å; F263-W321 HydrophobicContact CD2-CG 4.21Å; F263-W321 HydrophobicContact CD2-CZ2 4.36Å; F263-W321 AromaticContact CD2-NE1 3.16Å; F263-W321 AromaticContact CE2-CD1 3.5Å; F263-W321 AromaticContact CE2-NE1 3.32Å; F263-W321 VanDerWaalsContact CE2-NE1 3.32Å
264	F	75.2	Confident	67.5	Low	80 Å²	80	65.2 Å²	65.2	35%	0.351	34%	0.342	S	S	.	.	H	α-helix	trans	-64.6	-33.5	176.4	-78.1	-56.3	0	0	0	113.9	K260 R261 L262 T267 K268 L318	K260-F264 HydrophobicContact CD-CE2 4.16Å; K260-F264 HydrophobicContact CG-CD2 3.9Å; K260-F264 HydrophobicContact CG-CE2 3.54Å; K260-F264 WeakPolarHBondContact O-CD2 3.31Å; K260-F264 PolarHBondContact O-N 3.36Å; R261-F264 PolarHBondContact O-N 3.28Å; L262-F264 VanDerWaalsContact C-N 3.32Å; L262-F264 PolarHBondContact O-N 2.96Å; F264-T267 VanDerWaalsContact CA-OG1 3.28Å; F264-T267 WeakPolarHBondContact CA-OG1 3.4Å; F264-T267 PolarHBondContact O-OG1 2.84Å; F264-K268 VanDerWaalsContact O-CB 3.24Å; F264-K268 WeakPolarHBondContact O-CB 3.49Å; F264-K268 WeakPolarHBondContact O-CG 3.28Å; F264-K268 PolarHBondContact O-N 2.93Å; F264-L318 HydrophobicContact CZ-CD1 4.35Å
265	L	73.8	Confident	65.1	Low	114 Å²	114	69 Å²	69	60%	0.597	38%	0.381	S	S	*	.	H	α-helix	trans	-67.2	-40	174.5	-71.2	170.7	0	0	0	111.6	R261 L262 F263	R261-L265 WeakPolarHBondContact O-CG 3.41Å; R261-L265 PolarHBondContact O-N 2.93Å; L262-L265 WeakPolarHBondContact O-CB 3.39Å; L262-L265 PolarHBondContact O-N 3.24Å; L262-L265 VanDerWaalsContact O-N 3.09Å; F263-L265 VanDerWaalsContact C-N 3.32Å; F263-L265 PolarHBondContact O-N 3.03Å
266	L	70.1	Confident	63	Low	3 Å²	3	71 Å²	71	2%	0.016	41%	0.406	C	S	.	.	H	α-helix	trans	-70.5	-34	178.7	-64	169.5	0	0	0	112.2	L262 F263 L280 F285 K288 L289 L292	L262-L266 HydrophobicContact CD1-CD1 4.25Å; L262-L266 HydrophobicContact CD1-CG 4.31Å; L262-L266 HydrophobicContact CG-CD1 4.02Å; L262-L266 VanDerWaalsContact O-CG 3.3Å; L262-L266 WeakPolarHBondContact O-CG 3.5Å; L262-L266 PolarHBondContact O-N 3.12Å; F263-L266 PolarHBondContact O-N 3.37Å; L266-L280 HydrophobicContact CB-CD1 3.85Å; L266-F285 HydrophobicContact CD1-CD2 3.91Å; L266-F285 HydrophobicContact CD1-CE2 3.41Å; L266-F285 VanDerWaalsContact CD1-CE2 3.41Å; L266-F285 HydrophobicContact CD1-CZ 4.33Å; L266-K288 HydrophobicContact CD2-CB 3.53Å; L266-K288 VanDerWaalsContact O-CD 3.31Å; L266-K288 WeakPolarHBondContact O-CD 3.3Å; L266-K288 PolarHBondContact O-NZ 3.36Å; L266-L289 HydrophobicContact CD1-CD2 3.89Å; L266-L289 HydrophobicContact CD1-CG 4.48Å; L266-L289 HydrophobicContact CD2-CD2 4.19Å; L266-L292 HydrophobicContact CD2-CD1 3.55Å; L266-L292 HydrophobicContact CD2-CG 4.43Å; L266-L292 HydrophobicContact CG-CD1 4.34Å
267	T	70	Confident	61.4	Low	9 Å²	9	75 Å²	75	6%	0.055	43%	0.427	C	S	.	.	H	α-helix	trans	-86.7	-30.7	-178.4	49.3	0	0	0	0	114.4	F263 F264 A269 D270 V278 L280	F263-T267 HydrophobicContact CD1-CG2 4.05Å; F263-T267 HydrophobicContact CD2-CG2 4.4Å; F263-T267 HydrophobicContact CE1-CG2 3.55Å; F263-T267 HydrophobicContact CE2-CG2 3.97Å; F263-T267 HydrophobicContact CG-CG2 4.46Å; F263-T267 HydrophobicContact CZ-CG2 3.53Å; F263-T267 WeakPolarHBondContact O-CB 3.38Å; F263-T267 WeakPolarHBondContact O-CG2 3.26Å; F263-T267 PolarHBondContact O-N 3.46Å; F263-T267 PolarHBondContact O-OG1 3.29Å; F264-T267 VanDerWaalsContact CA-OG1 3.28Å; F264-T267 WeakPolarHBondContact CA-OG1 3.4Å; F264-T267 PolarHBondContact O-OG1 2.84Å; T267-A269 PolarHBondContact O-N 3.44Å; T267-A269 VanDerWaalsContact O-N 3.12Å; T267-D270 PolarHBondContact O-N 3.49Å; T267-V278 HydrophobicContact CG2-CB 3.98Å; T267-V278 HydrophobicContact CG2-CG1 3.38Å; T267-L280 HydrophobicContact CG2-CD1 3.51Å; T267-L280 HydrophobicContact CG2-CG 3.94Å
268	K	66	Low	60.3	Low	165 Å²	165	76.5 Å²	76.5	72%	0.717	44%	0.437	S	S	*	.	H	α-helix	trans	-59.5	-23	177.5	-87.6	-178.8	178.1	-174	0	113.9	F264 D270	F264-K268 VanDerWaalsContact O-CB 3.24Å; F264-K268 WeakPolarHBondContact O-CB 3.49Å; F264-K268 WeakPolarHBondContact O-CG 3.28Å; F264-K268 PolarHBondContact O-N 2.93Å; K268-D270 PolarHBondContact O-N 3.44Å
269	A	50.9	Low	59.6	Low	78 Å²	78	79.2 Å²	79.2	65%	0.645	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-23.4	174.5	0	0	0	0	0	113.1	T267	T267-A269 PolarHBondContact O-N 3.44Å; T267-A269 VanDerWaalsContact O-N 3.12Å
270	D	49	Very low	59.2	Low	76 Å²	76	78.8 Å²	78.8	41%	0.406	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-23.1	-169.1	-80.8	6.8	0	0	0	116.2	T267 K268 K288	T267-D270 PolarHBondContact O-N 3.49Å; K268-D270 PolarHBondContact O-N 3.44Å; D270-K288 IonicContact OD1-NZ 2.84Å; D270-K288 PolarHBondContact OD1-NZ 3.03Å; D270-K288 IonicContact OD2-NZ 2.69Å; D270-K288 PolarHBondContact OD2-NZ 3.25Å
271	N	42.8	Very low	59	Low	115 Å²	115	78.8 Å²	78.8	62%	0.615	46%	0.457	S	S	*	.			trans	-157.5	131.5	-174.1	-90.4	-44.3	0	0	0	117.6	Q273	N271-Q273 HydrophobicContact CB-CB 4.32Å; N271-Q273 PolarHBondContact O-N 2.95Å
272	G	44.3	Very low	58.4	Low	88 Å²	88	76.9 Å²	76.9	91%	0.907	45%	0.454	S	S	*	.			trans	-77.8	23.7	159.3	0	0	0	0	0	114.2
273	Q	35.8	Very low	58.1	Low	156 Å²	156	81.3 Å²	81.3	73%	0.729	48%	0.478	S	S	*	.			trans	-98.1	115.1	178.8	-68	-164.7	-5.9	0	0	111.4	N271 G275	N271-Q273 HydrophobicContact CB-CB 4.32Å; N271-Q273 PolarHBondContact O-N 2.95Å; Q273-G275 PolarHBondContact O-N 3.41Å
274	K	35	Very low	58.1	Low	218 Å²	218	84.1 Å²	84.1	95%	0.948	49%	0.493	S	S	*	.	S	Bend	trans	-68	114.5	173	-71.4	175.5	175.6	175.9	0	109.9
275	G	38.3	Very low	57.9	Low	82 Å²	82	80.4 Å²	80.4	85%	0.845	48%	0.477	S	S	*	.	S	Bend	trans	104.2	9.3	150.1	0	0	0	0	0	119.5	Q273	Q273-G275 PolarHBondContact O-N 3.41Å
276	G	39.8	Very low	57.6	Low	57 Å²	57	79 Å²	79	59%	0.588	46%	0.464	S	S	*	.	S	Bend	trans	-85.1	150.8	167.8	0	0	0	0	0	112.4	V278	G276-V278 PolarHBondContact O-N 3.17Å
277	L	49.3	Very low	57.8	Low	111 Å²	111	85.5 Å²	85.5	58%	0.581	49%	0.492	S	S	*	.			trans	-57.6	112.5	161.1	-106.5	112.6	0	0	0	106.7	D317 L319	L277-D317 HydrophobicContact CD2-CB 3.99Å; L277-D317 WeakPolarHBondContact CD2-OD2 3.42Å; L277-L319 HydrophobicContact CD2-CD1 4.13Å; L277-L319 HydrophobicContact CD2-CG 4.26Å
278	V	63.6	Low	58	Low	59 Å²	59	86.8 Å²	86.8	36%	0.358	50%	0.496	S	S	.	.			trans	-79.7	127.1	176.9	-166.8	0	0	0	0	107.2	F263 T267 G276	F263-V278 WeakPolarHBondContact CZ-O 3.43Å; T267-V278 HydrophobicContact CG2-CB 3.98Å; T267-V278 HydrophobicContact CG2-CG1 3.38Å; G276-V278 PolarHBondContact O-N 3.17Å
279	S	65.9	Low	58.3	Low	62 Å²	62	79 Å²	79	43%	0.434	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	150	173	59.1	0	0	0	0	109.8	L316	S279-L316 WeakPolarHBondContact CA-O 3.43Å
280	L	68.2	Low	59.2	Low	2 Å²	2	80.6 Å²	80.6	1%	0.01	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	120.6	174.5	-80.6	159.1	0	0	0	108.2	F263 L266 T267 N284 F285 K288 L316	F263-L280 HydrophobicContact CD2-CD1 4.31Å; F263-L280 HydrophobicContact CE2-CD1 4.04Å; L266-L280 HydrophobicContact CB-CD1 3.85Å; T267-L280 HydrophobicContact CG2-CD1 3.51Å; T267-L280 HydrophobicContact CG2-CG 3.94Å; L280-N284 HydrophobicContact CD2-CB 4.49Å; L280-F285 HydrophobicContact CB-CB 4.32Å; L280-F285 HydrophobicContact CD1-CD2 4.2Å; L280-K288 HydrophobicContact CD2-CD 3.98Å; L280-L316 PolarHBondContact N-O 3.24Å; L280-L316 WeakPolarHBondContact O-CB 3.38Å; L280-L316 PolarHBondContact O-N 2.97Å
281	D	72.7	Confident	60.1	Low	61 Å²	61	79.3 Å²	79.3	33%	0.326	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	162.9	168.7	65.2	65.5	0	0	0	111.8	D283 N284 F285	D281-D283 PolarHBondContact O-N 2.91Å; D281-D283 PolarHBondContact OD1-N 2.96Å; D281-D283 VanDerWaalsContact OD1-N 3.13Å; D281-N284 PolarHBondContact O-N 3.34Å; D281-N284 VanDerWaalsContact OD1-CB 3.27Å; D281-N284 WeakPolarHBondContact OD1-CB 3.28Å; D281-N284 PolarHBondContact OD1-N 3.29Å; D281-N284 PolarHBondContact OD2-ND2 3.12Å; D281-F285 WeakPolarHBondContact O-CB 3.44Å; D281-F285 PolarHBondContact O-N 3.27Å
282	L	67	Low	61.3	Low	65 Å²	65	77.7 Å²	77.7	34%	0.34	45%	0.452	S	S	.	.	H	α-helix	trans	-46.5	-51.6	178.8	-105.3	166.2	0	0	0	114.4	R286 W304 F305	L282-R286 PolarHBondContact O-N 2.83Å; L282-W304 HydrophobicContact CD2-CH2 4.37Å; L282-F305 HydrophobicContact CB-CD2 4.42Å; L282-F305 HydrophobicContact CB-CE2 4.12Å; L282-F305 HydrophobicContact CB-CZ 4.33Å; L282-F305 HydrophobicContact CD1-CD1 3.72Å; L282-F305 HydrophobicContact CD1-CD2 4.46Å; L282-F305 HydrophobicContact CD1-CE1 3.79Å; L282-F305 HydrophobicContact CD1-CE2 4.48Å; L282-F305 HydrophobicContact CD1-CG 4.09Å; L282-F305 HydrophobicContact CD1-CZ 4.2Å; L282-F305 HydrophobicContact CD2-CB 3.51Å; L282-F305 HydrophobicContact CD2-CD1 3.7Å; L282-F305 HydrophobicContact CD2-CD2 3.13Å; L282-F305 HydrophobicContact CD2-CE1 4.2Å; L282-F305 HydrophobicContact CD2-CE2 3.67Å; L282-F305 HydrophobicContact CD2-CG 3.13Å; L282-F305 HydrophobicContact CD2-CZ 4.21Å; L282-F305 HydrophobicContact CG-CB 4.36Å; L282-F305 HydrophobicContact CG-CD1 3.56Å; L282-F305 HydrophobicContact CG-CD2 3.43Å; L282-F305 VanDerWaalsContact CG-CD2 3.43Å; L282-F305 HydrophobicContact CG-CE1 3.57Å; L282-F305 HydrophobicContact CG-CE2 3.4Å; L282-F305 HydrophobicContact CG-CG 3.5Å; L282-F305 HydrophobicContact CG-CZ 3.51Å
283	D	68.9	Low	62.2	Low	105 Å²	105	74.5 Å²	74.5	56%	0.561	42%	0.419	S	S	*	.	H	α-helix	trans	-73.9	-42.5	-170.1	-73.3	-31.7	0	0	0	110.7	D281 R286 K287	D281-D283 PolarHBondContact O-N 2.91Å; D281-D283 PolarHBondContact OD1-N 2.96Å; D281-D283 VanDerWaalsContact OD1-N 3.13Å; D283-R286 PolarHBondContact O-N 3.31Å; D283-K287 WeakPolarHBondContact O-CB 3.31Å; D283-K287 VanDerWaalsContact O-CG 3.27Å; D283-K287 WeakPolarHBondContact O-CG 3.46Å; D283-K287 PolarHBondContact O-N 3.13Å
284	N	73.2	Confident	63.5	Low	61 Å²	61	67.4 Å²	67.4	33%	0.326	39%	0.386	S	S	.	.	H	α-helix	trans	-66.4	-40.9	175	-80.1	-32.5	0	0	0	111.4	L280 D281 K288	L280-N284 HydrophobicContact CD2-CB 4.49Å; D281-N284 PolarHBondContact O-N 3.34Å; D281-N284 VanDerWaalsContact OD1-CB 3.27Å; D281-N284 WeakPolarHBondContact OD1-CB 3.28Å; D281-N284 PolarHBondContact OD1-N 3.29Å; D281-N284 PolarHBondContact OD2-ND2 3.12Å; N284-K288 WeakPolarHBondContact O-CB 3.23Å; N284-K288 WeakPolarHBondContact O-CG 3.2Å; N284-K288 PolarHBondContact O-N 3.35Å
285	F	71.2	Confident	64.6	Low	1 Å²	1	65.4 Å²	65.4	0%	0.004	38%	0.378	C	S	.	.	H	α-helix	trans	-60	-49.6	175.6	-178.7	-99.7	0	0	0	111.4	L266 L280 D281 K288 L289 W304 L316 W321	L266-F285 HydrophobicContact CD1-CD2 3.91Å; L266-F285 HydrophobicContact CD1-CE2 3.41Å; L266-F285 VanDerWaalsContact CD1-CE2 3.41Å; L266-F285 HydrophobicContact CD1-CZ 4.33Å; L280-F285 HydrophobicContact CB-CB 4.32Å; L280-F285 HydrophobicContact CD1-CD2 4.2Å; D281-F285 WeakPolarHBondContact O-CB 3.44Å; D281-F285 PolarHBondContact O-N 3.27Å; F285-K288 PolarHBondContact O-N 2.83Å; F285-L289 HydrophobicContact CD1-CD1 3.84Å; F285-L289 HydrophobicContact CD1-CG 4.38Å; F285-L289 HydrophobicContact CE1-CD1 3.14Å; F285-L289 HydrophobicContact CE1-CG 3.95Å; F285-L289 HydrophobicContact CE2-CD1 4.23Å; F285-L289 HydrophobicContact CE2-CD2 4.44Å; F285-L289 HydrophobicContact CE2-CG 4.26Å; F285-L289 HydrophobicContact CZ-CD1 3.35Å; F285-L289 HydrophobicContact CZ-CD2 4.12Å; F285-L289 HydrophobicContact CZ-CG 3.85Å; F285-L289 WeakPolarHBondContact O-CG 3.45Å; F285-L289 PolarHBondContact O-N 2.89Å; F285-W304 AromaticContact CD1-CH2 3.49Å; F285-W304 HydrophobicContact CD1-CH2 3.49Å; F285-W304 VanDerWaalsContact CD1-CH2 3.49Å; F285-W304 AromaticContact CD1-CZ3 3.49Å; F285-W304 HydrophobicContact CD1-CZ3 3.49Å; F285-W304 VanDerWaalsContact CD1-CZ3 3.49Å; F285-W304 HydrophobicContact CE1-CE3 4.21Å; F285-W304 AromaticContact CE1-CH2 3.64Å; F285-W304 HydrophobicContact CE1-CH2 3.64Å; F285-W304 AromaticContact CE1-CZ3 3.25Å; F285-W304 HydrophobicContact CE1-CZ3 3.25Å; F285-W304 HydrophobicContact CZ-CZ3 4.43Å; F285-L316 HydrophobicContact CB-CD1 4.44Å; F285-L316 HydrophobicContact CD1-CD1 4.06Å; F285-L316 HydrophobicContact CD2-CD1 4.08Å; F285-L316 HydrophobicContact CE1-CD1 4.35Å; F285-L316 HydrophobicContact CE2-CD1 4.41Å; F285-L316 HydrophobicContact CG-CD1 3.91Å; F285-W321 HydrophobicContact CD2-CZ2 4.06Å; F285-W321 HydrophobicContact CE1-CH2 4.44Å; F285-W321 AromaticContact CE2-CH2 3.57Å; F285-W321 HydrophobicContact CE2-CH2 3.57Å; F285-W321 AromaticContact CE2-CZ2 3.28Å; F285-W321 HydrophobicContact CE2-CZ2 3.28Å; F285-W321 AromaticContact CZ-CH2 3.42Å; F285-W321 HydrophobicContact CZ-CH2 3.42Å; F285-W321 VanDerWaalsContact CZ-CH2 3.42Å; F285-W321 AromaticContact CZ-CZ2 3.6Å; F285-W321 HydrophobicContact CZ-CZ2 3.6Å
286	R	68.5	Low	65.5	Low	86 Å²	86	62.9 Å²	62.9	33%	0.325	34%	0.344	S	S	.	.	H	α-helix	trans	-60.7	-51.4	177.9	-176.9	-177.9	-71.1	173.5	-1	112	L282 D283 K288 L289 E290	L282-R286 PolarHBondContact O-N 2.83Å; D283-R286 PolarHBondContact O-N 3.31Å; R286-K288 PolarHBondContact O-N 3.17Å; R286-L289 PolarHBondContact O-N 3.14Å; R286-L289 VanDerWaalsContact O-N 3.16Å; R286-E290 HydrophobicContact CG-CG 4.45Å; R286-E290 WeakPolarHBondContact O-CG 3.47Å; R286-E290 PolarHBondContact O-N 2.68Å
287	K	73.9	Confident	66.2	Low	138 Å²	138	63.2 Å²	63.2	60%	0.6	34%	0.341	S	S	*	.	H	α-helix	trans	-56.4	-40.2	179.8	-76.2	172.2	-176.7	169.3	0	112	D283 G291	D283-K287 WeakPolarHBondContact O-CB 3.31Å; D283-K287 VanDerWaalsContact O-CG 3.27Å; D283-K287 WeakPolarHBondContact O-CG 3.46Å; D283-K287 PolarHBondContact O-N 3.13Å; K287-G291 PolarHBondContact O-N 3.23Å
288	K	73.9	Confident	66.2	Low	36 Å²	36	66.7 Å²	66.7	16%	0.157	35%	0.348	C	S	.	.	H	α-helix	trans	-71.5	-39.2	179.2	-71.5	175.4	173.8	-172.9	0	112.3	L266 D270 L280 N284 F285 R286 G291 L292	L266-K288 HydrophobicContact CD2-CB 3.53Å; L266-K288 VanDerWaalsContact O-CD 3.31Å; L266-K288 WeakPolarHBondContact O-CD 3.3Å; L266-K288 PolarHBondContact O-NZ 3.36Å; D270-K288 IonicContact OD1-NZ 2.84Å; D270-K288 PolarHBondContact OD1-NZ 3.03Å; D270-K288 IonicContact OD2-NZ 2.69Å; D270-K288 PolarHBondContact OD2-NZ 3.25Å; L280-K288 HydrophobicContact CD2-CD 3.98Å; N284-K288 WeakPolarHBondContact O-CB 3.23Å; N284-K288 WeakPolarHBondContact O-CG 3.2Å; N284-K288 PolarHBondContact O-N 3.35Å; F285-K288 PolarHBondContact O-N 2.83Å; R286-K288 PolarHBondContact O-N 3.17Å; K288-G291 PolarHBondContact O-N 2.77Å; K288-L292 WeakPolarHBondContact O-CG 3.18Å; K288-L292 PolarHBondContact O-N 2.87Å
289	L	71.3	Confident	65.7	Low	1 Å²	1	67.4 Å²	67.4	1%	0.005	35%	0.35	C	S	.	.	H	α-helix	trans	-61.1	-47.1	172.6	-75.7	-175.5	0	0	0	111.8	L262 L266 F285 R286 G291 L292 G293 I294 I296	L262-L289 HydrophobicContact CD2-CD2 4.37Å; L266-L289 HydrophobicContact CD1-CD2 3.89Å; L266-L289 HydrophobicContact CD1-CG 4.48Å; L266-L289 HydrophobicContact CD2-CD2 4.19Å; F285-L289 HydrophobicContact CD1-CD1 3.84Å; F285-L289 HydrophobicContact CD1-CG 4.38Å; F285-L289 HydrophobicContact CE1-CD1 3.14Å; F285-L289 HydrophobicContact CE1-CG 3.95Å; F285-L289 HydrophobicContact CE2-CD1 4.23Å; F285-L289 HydrophobicContact CE2-CD2 4.44Å; F285-L289 HydrophobicContact CE2-CG 4.26Å; F285-L289 HydrophobicContact CZ-CD1 3.35Å; F285-L289 HydrophobicContact CZ-CD2 4.12Å; F285-L289 HydrophobicContact CZ-CG 3.85Å; F285-L289 WeakPolarHBondContact O-CG 3.45Å; F285-L289 PolarHBondContact O-N 2.89Å; R286-L289 PolarHBondContact O-N 3.14Å; R286-L289 VanDerWaalsContact O-N 3.16Å; L289-G291 VanDerWaalsContact C-N 3.32Å; L289-G291 PolarHBondContact O-N 3.01Å; L289-L292 PolarHBondContact O-N 2.94Å; L289-L292 VanDerWaalsContact O-N 3.14Å; L289-G293 PolarHBondContact O-N 2.83Å; L289-I294 HydrophobicContact CB-CB 4.2Å; L289-I294 HydrophobicContact CD2-CB 4.18Å; L289-I294 HydrophobicContact CD2-CD1 3.67Å; L289-I294 HydrophobicContact CD2-CG1 4.26Å; L289-I294 HydrophobicContact CD2-CG2 4.32Å; L289-I294 WeakPolarHBondContact O-CB 3.41Å; L289-I294 PolarHBondContact O-N 3.29Å; L289-I296 HydrophobicContact CD1-CD1 3.22Å; L289-I296 HydrophobicContact CD1-CG1 3.7Å
290	E	70.3	Confident	64.8	Low	113 Å²	113	73 Å²	73	53%	0.528	37%	0.37	S	S	.	.	H	α-helix	trans	-59.3	-43.2	174.6	-72.5	175	180	0	0	111.3	R286 L292 G293	R286-E290 HydrophobicContact CG-CG 4.45Å; R286-E290 WeakPolarHBondContact O-CG 3.47Å; R286-E290 PolarHBondContact O-N 2.68Å; E290-L292 VanDerWaalsContact C-N 3.28Å; E290-L292 PolarHBondContact O-N 2.94Å; E290-G293 WeakPolarHBondContact O-CA 2.99Å; E290-G293 PolarHBondContact O-N 2.93Å
291	G	69.2	Low	63.9	Low	48 Å²	48	80 Å²	80	50%	0.495	41%	0.407	S	S	.	.	H	α-helix	trans	-59.3	-35.9	175	0	0	0	0	0	113.5	K287 K288 L289 G293 K340	K287-G291 PolarHBondContact O-N 3.23Å; K288-G291 PolarHBondContact O-N 2.77Å; L289-G291 VanDerWaalsContact C-N 3.32Å; L289-G291 PolarHBondContact O-N 3.01Å; G291-G293 PolarHBondContact O-N 3.34Å; G291-K340 PolarHBondContact O-NZ 3.15Å
292	L	67.6	Low	62.9	Low	82 Å²	82	79.2 Å²	79.2	43%	0.429	40%	0.404	S	S	.	.	H	α-helix	trans	-76	-8.4	173.2	-69.5	-179.3	0	0	0	113.5	L262 L266 K288 L289 E290 I294	L262-L292 HydrophobicContact CD1-CD1 4.1Å; L266-L292 HydrophobicContact CD2-CD1 3.55Å; L266-L292 HydrophobicContact CD2-CG 4.43Å; L266-L292 HydrophobicContact CG-CD1 4.34Å; K288-L292 WeakPolarHBondContact O-CG 3.18Å; K288-L292 PolarHBondContact O-N 2.87Å; L289-L292 PolarHBondContact O-N 2.94Å; L289-L292 VanDerWaalsContact O-N 3.14Å; E290-L292 VanDerWaalsContact C-N 3.28Å; E290-L292 PolarHBondContact O-N 2.94Å; L292-I294 HydrophobicContact CB-CD1 4.24Å; L292-I294 HydrophobicContact CB-CG1 3.92Å; L292-I294 HydrophobicContact CD1-CD1 4.42Å
293	G	63.7	Low	62.6	Low	21 Å²	21	83.5 Å²	83.5	22%	0.216	42%	0.42	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.1	17	-176.6	0	0	0	0	0	113.8	L289 E290 G291 K295	L289-G293 PolarHBondContact O-N 2.83Å; E290-G293 WeakPolarHBondContact O-CA 2.99Å; E290-G293 PolarHBondContact O-N 2.93Å; G291-G293 PolarHBondContact O-N 3.34Å; G293-K295 PolarHBondContact O-N 3.46Å
294	I	62	Low	62.3	Low	7 Å²	7	79.7 Å²	79.7	4%	0.036	40%	0.398	C	S	.	.	B	Isolated β-bridge	trans	-85	109.9	177	-46.2	-163.9	0	0	0	107.6	L262 L289 L292 I296 L337	L262-I294 HydrophobicContact CD1-CD1 3.82Å; L262-I294 HydrophobicContact CD2-CD1 4.32Å; L289-I294 HydrophobicContact CB-CB 4.2Å; L289-I294 HydrophobicContact CD2-CB 4.18Å; L289-I294 HydrophobicContact CD2-CD1 3.67Å; L289-I294 HydrophobicContact CD2-CG1 4.26Å; L289-I294 HydrophobicContact CD2-CG2 4.32Å; L289-I294 WeakPolarHBondContact O-CB 3.41Å; L289-I294 PolarHBondContact O-N 3.29Å; L292-I294 HydrophobicContact CB-CD1 4.24Å; L292-I294 HydrophobicContact CB-CG1 3.92Å; L292-I294 HydrophobicContact CD1-CD1 4.42Å; I294-I296 PolarHBondContact O-N 3.31Å; I294-L337 HydrophobicContact CB-CD2 4.09Å; I294-L337 HydrophobicContact CD1-CD2 3.41Å; I294-L337 VanDerWaalsContact CD1-CD2 3.41Å; I294-L337 HydrophobicContact CG1-CD2 3.34Å; I294-L337 HydrophobicContact CG2-CD2 4.03Å
295	K	58.1	Low	61.7	Low	176 Å²	176	77.5 Å²	77.5	77%	0.765	39%	0.385	S	S	*	.			trans	-87	105	170.7	-71.1	-170	177	-170	0	108.1	G293 A297	G293-K295 PolarHBondContact O-N 3.46Å; K295-A297 PolarHBondContact O-N 3.41Å
296	I	57.5	Low	61.2	Low	28 Å²	28	81.7 Å²	81.7	14%	0.144	41%	0.411	C	S	.	.			trans	-69.2	127	163.8	-51.3	167.8	0	0	0	106.2	L289 I294 Y298 W304	L289-I296 HydrophobicContact CD1-CD1 3.22Å; L289-I296 HydrophobicContact CD1-CG1 3.7Å; I294-I296 PolarHBondContact O-N 3.31Å; I296-Y298 PolarHBondContact O-N 2.76Å; I296-W304 HydrophobicContact CD1-CD2 4.28Å; I296-W304 HydrophobicContact CD1-CE3 4.48Å; I296-W304 HydrophobicContact CD1-CH2 3.92Å; I296-W304 HydrophobicContact CD1-CZ2 3.58Å; I296-W304 HydrophobicContact CD1-CZ3 4.35Å; I296-W304 HydrophobicContact CG2-CD2 4.26Å; I296-W304 HydrophobicContact CG2-CG 4.13Å
297	A	54	Low	60.7	Low	64 Å²	64	79.2 Å²	79.2	53%	0.529	40%	0.404	S	S	.	.			trans	-56.5	126.1	171	0	0	0	0	0	108.7	K295 D299	K295-A297 PolarHBondContact O-N 3.41Å; A297-D299 PolarHBondContact O-N 3.35Å
298	Y	49.7	Very low	60.3	Low	184 Å²	184	72.9 Å²	72.9	72%	0.722	38%	0.377	S	S	*	.			trans	-68.5	84.9	165.2	-92.2	-94.4	0	0	0	106.9	I296	I296-Y298 PolarHBondContact O-N 2.76Å
299	D	52.8	Low	59.8	Low	74 Å²	74	71.9 Å²	71.9	40%	0.396	37%	0.373	S	S	.	.			trans	-95.1	104.9	160.9	-166.9	-15.9	0	0	0	107.1	A297 N301 V302	A297-D299 PolarHBondContact O-N 3.35Å; D299-N301 PolarHBondContact O-N 2.64Å; D299-N301 VanDerWaalsContact O-N 3.15Å; D299-N301 VanDerWaalsContact OD1-CB 3.27Å; D299-N301 WeakPolarHBondContact OD1-CB 3.38Å; D299-N301 PolarHBondContact OD1-N 2.72Å; D299-N301 PolarHBondContact OD1-ND2 2.94Å; D299-V302 HydrophobicContact CB-CB 4.08Å; D299-V302 HydrophobicContact CB-CG2 4.28Å; D299-V302 PolarHBondContact O-N 3.23Å; D299-V302 WeakPolarHBondContact OD2-CG2 3.49Å
300	E	48.1	Very low	59.4	Low	181 Å²	181	73.7 Å²	73.7	85%	0.846	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-20	175.7	-67.1	-175.7	168.1	0	0	112
301	N	48	Very low	59.2	Low	148 Å²	148	71.4 Å²	71.4	79%	0.791	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-24.3	178.8	-54.6	-59.8	0	0	0	113.2	D299	D299-N301 PolarHBondContact O-N 2.64Å; D299-N301 VanDerWaalsContact O-N 3.15Å; D299-N301 VanDerWaalsContact OD1-CB 3.27Å; D299-N301 WeakPolarHBondContact OD1-CB 3.38Å; D299-N301 PolarHBondContact OD1-N 2.72Å; D299-N301 PolarHBondContact OD1-ND2 2.94Å
302	V	52.1	Low	59.1	Low	45 Å²	45	72 Å²	72	27%	0.273	39%	0.387	S	S	.	.			trans	-105.7	96.6	179.6	-176.7	0	0	0	0	108.5	D299 W304 L307	D299-V302 HydrophobicContact CB-CB 4.08Å; D299-V302 HydrophobicContact CB-CG2 4.28Å; D299-V302 PolarHBondContact O-N 3.23Å; D299-V302 WeakPolarHBondContact OD2-CG2 3.49Å; V302-W304 HydrophobicContact CG1-CB 4.5Å; V302-W304 PolarHBondContact O-N 3.5Å; V302-L307 HydrophobicContact CG1-CD1 3.52Å
303	K	61.1	Low	59.5	Low	154 Å²	154	72.7 Å²	72.7	67%	0.67	39%	0.391	S	S	*	.			trans	-68.3	72.6	167.1	-65.1	-173.8	-179.9	-177.7	0	109.6	F305 T306 L307	K303-F305 PolarHBondContact O-N 3.03Å; K303-F305 VanDerWaalsContact O-N 3.1Å; K303-T306 WeakPolarHBondContact CB-OG1 3.37Å; K303-T306 CarbonylContact O-C 3.59Å; K303-T306 WeakPolarHBondContact O-CA 3.29Å; K303-T306 WeakPolarHBondContact O-CB 3.5Å; K303-T306 PolarHBondContact O-N 2.94Å; K303-L307 PolarHBondContact O-N 3.33Å
304	W	61.7	Low	59.7	Low	25 Å²	25	73.4 Å²	73.4	10%	0.095	40%	0.398	C	S	.	.	H	α-helix	trans	-54.1	-33.4	-177.8	61.2	-93.5	0	0	0	111.9	L282 F285 I296 V302 L307 L308 L334	L282-W304 HydrophobicContact CD2-CH2 4.37Å; F285-W304 AromaticContact CD1-CH2 3.49Å; F285-W304 HydrophobicContact CD1-CH2 3.49Å; F285-W304 VanDerWaalsContact CD1-CH2 3.49Å; F285-W304 AromaticContact CD1-CZ3 3.49Å; F285-W304 HydrophobicContact CD1-CZ3 3.49Å; F285-W304 VanDerWaalsContact CD1-CZ3 3.49Å; F285-W304 HydrophobicContact CE1-CE3 4.21Å; F285-W304 AromaticContact CE1-CH2 3.64Å; F285-W304 HydrophobicContact CE1-CH2 3.64Å; F285-W304 AromaticContact CE1-CZ3 3.25Å; F285-W304 HydrophobicContact CE1-CZ3 3.25Å; F285-W304 HydrophobicContact CZ-CZ3 4.43Å; I296-W304 HydrophobicContact CD1-CD2 4.28Å; I296-W304 HydrophobicContact CD1-CE3 4.48Å; I296-W304 HydrophobicContact CD1-CH2 3.92Å; I296-W304 HydrophobicContact CD1-CZ2 3.58Å; I296-W304 HydrophobicContact CD1-CZ3 4.35Å; I296-W304 HydrophobicContact CG2-CD2 4.26Å; I296-W304 HydrophobicContact CG2-CG 4.13Å; V302-W304 HydrophobicContact CG1-CB 4.5Å; V302-W304 PolarHBondContact O-N 3.5Å; W304-L307 WeakPolarHBondContact O-CB 3.26Å; W304-L307 PolarHBondContact O-N 3.39Å; W304-L307 VanDerWaalsContact O-N 3.15Å; W304-L308 HydrophobicContact CE3-CD1 3.72Å; W304-L308 HydrophobicContact CZ3-CD1 4.04Å; W304-L308 WeakPolarHBondContact O-CG 3.38Å; W304-L308 PolarHBondContact O-N 3.03Å; W304-L334 HydrophobicContact CB-CD1 3.75Å
305	F	62	Low	60.1	Low	16 Å²	16	75 Å²	75	7%	0.07	41%	0.409	C	S	.	.	H	α-helix	trans	-64.2	-45.9	174.7	-174.5	-93.4	0	0	0	111.1	L282 K303 L307 L308 D309 L316	L282-F305 HydrophobicContact CB-CD2 4.42Å; L282-F305 HydrophobicContact CB-CE2 4.12Å; L282-F305 HydrophobicContact CB-CZ 4.33Å; L282-F305 HydrophobicContact CD1-CD1 3.72Å; L282-F305 HydrophobicContact CD1-CD2 4.46Å; L282-F305 HydrophobicContact CD1-CE1 3.79Å; L282-F305 HydrophobicContact CD1-CE2 4.48Å; L282-F305 HydrophobicContact CD1-CG 4.09Å; L282-F305 HydrophobicContact CD1-CZ 4.2Å; L282-F305 HydrophobicContact CD2-CB 3.51Å; L282-F305 HydrophobicContact CD2-CD1 3.7Å; L282-F305 HydrophobicContact CD2-CD2 3.13Å; L282-F305 HydrophobicContact CD2-CE1 4.2Å; L282-F305 HydrophobicContact CD2-CE2 3.67Å; L282-F305 HydrophobicContact CD2-CG 3.13Å; L282-F305 HydrophobicContact CD2-CZ 4.21Å; L282-F305 HydrophobicContact CG-CB 4.36Å; L282-F305 HydrophobicContact CG-CD1 3.56Å; L282-F305 HydrophobicContact CG-CD2 3.43Å; L282-F305 VanDerWaalsContact CG-CD2 3.43Å; L282-F305 HydrophobicContact CG-CE1 3.57Å; L282-F305 HydrophobicContact CG-CE2 3.4Å; L282-F305 HydrophobicContact CG-CG 3.5Å; L282-F305 HydrophobicContact CG-CZ 3.51Å; K303-F305 PolarHBondContact O-N 3.03Å; K303-F305 VanDerWaalsContact O-N 3.1Å; F305-L307 PolarHBondContact O-N 3.15Å; F305-L308 CarbonylContact O-C 3.56Å; F305-L308 PolarHBondContact O-N 2.88Å; F305-D309 HydrophobicContact CD1-CB 3.9Å; F305-D309 HydrophobicContact CE1-CB 3.47Å; F305-D309 VanDerWaalsContact CE1-CB 3.47Å; F305-D309 VanDerWaalsContact CE1-OD2 3.31Å; F305-D309 WeakPolarHBondContact CE1-OD2 3.44Å; F305-D309 HydrophobicContact CZ-CB 3.9Å; F305-D309 WeakPolarHBondContact O-CB 3.5Å; F305-D309 PolarHBondContact O-N 3.41Å; F305-L316 HydrophobicContact CD2-CD1 3.63Å; F305-L316 HydrophobicContact CD2-CG 4.01Å; F305-L316 HydrophobicContact CE2-CB 4.49Å; F305-L316 HydrophobicContact CE2-CD1 3.33Å; F305-L316 HydrophobicContact CE2-CD2 4.15Å; F305-L316 HydrophobicContact CE2-CG 3.34Å; F305-L316 HydrophobicContact CZ-CD1 4.31Å; F305-L316 HydrophobicContact CZ-CD2 4.47Å; F305-L316 HydrophobicContact CZ-CG 3.84Å
306	T	59.2	Low	60.4	Low	89 Å²	89	66.7 Å²	66.7	55%	0.546	37%	0.372	S	S	.	.	H	α-helix	trans	-63.5	-24	173.6	-49.5	0	0	0	0	112.7	K303	K303-T306 WeakPolarHBondContact CB-OG1 3.37Å; K303-T306 CarbonylContact O-C 3.59Å; K303-T306 WeakPolarHBondContact O-CA 3.29Å; K303-T306 WeakPolarHBondContact O-CB 3.5Å; K303-T306 PolarHBondContact O-N 2.94Å
307	L	57.4	Low	60.8	Low	33 Å²	33	66.5 Å²	66.5	17%	0.173	37%	0.372	C	S	.	.	H	α-helix	trans	-74.8	-29.1	171.6	-64.5	-179.9	0	0	0	112.7	V302 K303 W304 F305 Y329 L331	V302-L307 HydrophobicContact CG1-CD1 3.52Å; K303-L307 PolarHBondContact O-N 3.33Å; W304-L307 WeakPolarHBondContact O-CB 3.26Å; W304-L307 PolarHBondContact O-N 3.39Å; W304-L307 VanDerWaalsContact O-N 3.15Å; F305-L307 PolarHBondContact O-N 3.15Å; L307-Y329 HydrophobicContact CD1-CD2 4.04Å; L307-Y329 HydrophobicContact CD1-CG 4.16Å; L307-Y329 HydrophobicContact CD2-CD2 3.71Å; L307-Y329 HydrophobicContact CD2-CE2 3.57Å; L307-L331 HydrophobicContact CB-CD2 4.42Å; L307-L331 HydrophobicContact CD1-CD2 4.05Å
308	L	65.6	Low	61.1	Low	6 Å²	6	65.6 Å²	65.6	3%	0.031	36%	0.358	C	S	.	.	H	α-helix	trans	-91	-42.2	-179.6	-66.3	176.5	0	0	0	112.1	W304 F305 V310 L316 D320 W321 L331	W304-L308 HydrophobicContact CE3-CD1 3.72Å; W304-L308 HydrophobicContact CZ3-CD1 4.04Å; W304-L308 WeakPolarHBondContact O-CG 3.38Å; W304-L308 PolarHBondContact O-N 3.03Å; F305-L308 CarbonylContact O-C 3.56Å; F305-L308 PolarHBondContact O-N 2.88Å; L308-V310 PolarHBondContact O-N 2.93Å; L308-L316 HydrophobicContact CB-CD1 4.48Å; L308-L316 HydrophobicContact CB-CD2 3.43Å; L308-L316 VanDerWaalsContact CB-CD2 3.43Å; L308-L316 HydrophobicContact CD1-CD1 4.49Å; L308-D320 CarbonylContact O-C 3.29Å; L308-D320 VanDerWaalsContact O-C 3.29Å; L308-D320 WeakPolarHBondContact O-CB 3.46Å; L308-W321 HydrophobicContact CD1-CH2 3.56Å; L308-W321 HydrophobicContact CD1-CZ2 4.2Å; L308-W321 HydrophobicContact CD1-CZ3 3.74Å; L308-W321 HydrophobicContact CD2-CE3 3.9Å; L308-W321 HydrophobicContact CD2-CH2 4.31Å; L308-W321 HydrophobicContact CD2-CZ3 3.63Å; L308-W321 HydrophobicContact CG-CH2 4.49Å; L308-W321 HydrophobicContact CG-CZ3 4.27Å; L308-L331 HydrophobicContact CD2-CD1 3.92Å
309	D	64.6	Low	61.5	Low	14 Å²	14	57.8 Å²	57.8	8%	0.075	33%	0.328	C	S	.	.			trans	-81.1	81.2	172.8	172.6	15.1	0	0	0	108.7	F305 S311 G312 D313 G314 L316	F305-D309 HydrophobicContact CD1-CB 3.9Å; F305-D309 HydrophobicContact CE1-CB 3.47Å; F305-D309 VanDerWaalsContact CE1-CB 3.47Å; F305-D309 VanDerWaalsContact CE1-OD2 3.31Å; F305-D309 WeakPolarHBondContact CE1-OD2 3.44Å; F305-D309 HydrophobicContact CZ-CB 3.9Å; F305-D309 WeakPolarHBondContact O-CB 3.5Å; F305-D309 PolarHBondContact O-N 3.41Å; D309-S311 PolarHBondContact OD1-OG 2.53Å; D309-S311 VanDerWaalsContact OD1-OG 3.13Å; D309-G312 VanDerWaalsContact OD1-CA 3.31Å; D309-G312 WeakPolarHBondContact OD1-CA 3.03Å; D309-G312 PolarHBondContact OD1-N 3.39Å; D309-D313 PolarHBondContact OD1-N 3.33Å; D309-G314 VanDerWaalsContact OD2-CA 3.29Å; D309-G314 WeakPolarHBondContact OD2-CA 3.47Å; D309-G314 PolarHBondContact OD2-N 3.46Å; D309-L316 HydrophobicContact CB-CD2 3.96Å; D309-L316 VanDerWaalsContact N-CD2 3.34Å
310	V	61.8	Low	61.8	Low	40 Å²	40	54.3 Å²	54.3	24%	0.242	31%	0.31	C	S	.	.			trans	-83.1	-23.3	-177.8	175.9	0	0	0	0	111.4	L308 G312 D320 H323 K325	L308-V310 PolarHBondContact O-N 2.93Å; V310-G312 VanDerWaalsContact C-N 3.27Å; V310-D320 PolarHBondContact N-OD1 2.74Å; V310-H323 HydrophobicContact CB-CB 3.87Å; V310-H323 VanDerWaalsContact CB-CD2 3.45Å; V310-H323 WeakPolarHBondContact CB-CD2 3.32Å; V310-H323 HydrophobicContact CG1-CB 3.82Å; V310-H323 HydrophobicContact CG2-CB 3.68Å; V310-K325 HydrophobicContact CG1-CD 4.25Å
311	S	67.3	Low	62.3	Low	65 Å²	65	47 Å²	47	46%	0.455	28%	0.275	S	S	.	.	S	Bend	trans	-67.2	-30.3	171.8	75	0	0	0	0	112	D309 D313 D320	D309-S311 PolarHBondContact OD1-OG 2.53Å; D309-S311 VanDerWaalsContact OD1-OG 3.13Å; S311-D313 VanDerWaalsContact C-N 3.28Å; S311-D313 PolarHBondContact OG-N 2.66Å; S311-D313 PolarHBondContact OG-OD1 2.53Å; S311-D313 VanDerWaalsContact OG-OD1 3.12Å; S311-D320 WeakPolarHBondContact CB-OD1 3.42Å; S311-D320 PolarHBondContact N-OD1 2.87Å; S311-D320 PolarHBondContact OG-OD1 2.88Å; S311-D320 VanDerWaalsContact OG-OD1 3.07Å; S311-D320 PolarHBondContact OG-OD2 2.88Å
312	G	67.7	Low	62.5	Low	61 Å²	61	40.7 Å²	40.7	63%	0.629	24%	0.242	S	C	*	.			trans	73.5	19.9	-177.9	0	0	0	0	0	113	D309 V310 G314	D309-G312 VanDerWaalsContact OD1-CA 3.31Å; D309-G312 WeakPolarHBondContact OD1-CA 3.03Å; D309-G312 PolarHBondContact OD1-N 3.39Å; V310-G312 VanDerWaalsContact C-N 3.27Å; G312-G314 VanDerWaalsContact C-N 3.29Å
313	D	74.5	Confident	63	Low	95 Å²	95	39 Å²	39	51%	0.508	23%	0.231	S	C	.	.	S	Bend	trans	-85.9	-3.2	-179.8	73.8	0.4	0	0	0	113.1	D309 S311 V315	D309-D313 PolarHBondContact OD1-N 3.33Å; S311-D313 VanDerWaalsContact C-N 3.28Å; S311-D313 PolarHBondContact OG-N 2.66Å; S311-D313 PolarHBondContact OG-OD1 2.53Å; S311-D313 VanDerWaalsContact OG-OD1 3.12Å; D313-V315 VanDerWaalsContact C-N 3.32Å; D313-V315 VanDerWaalsContact CG-CG2 3.43Å; D313-V315 WeakPolarHBondContact OD1-CG2 3.47Å; D313-V315 PolarHBondContact OD1-N 3.06Å; D313-V315 VanDerWaalsContact OD1-O 3.08Å; D313-V315 VanDerWaalsContact OD2-CG2 3.3Å; D313-V315 WeakPolarHBondContact OD2-CG2 3.45Å
314	G	68.3	Low	62.6	Low	36 Å²	36	32.7 Å²	32.7	37%	0.371	20%	0.204	S	C	.	.	S	Bend	trans	83.6	3.8	178.7	0	0	0	0	0	114	D309 G312	D309-G314 VanDerWaalsContact OD2-CA 3.29Å; D309-G314 WeakPolarHBondContact OD2-CA 3.47Å; D309-G314 PolarHBondContact OD2-N 3.46Å; G312-G314 VanDerWaalsContact C-N 3.29Å
315	V	70.2	Confident	62.3	Low	42 Å²	42	37.8 Å²	37.8	26%	0.255	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	153.2	173.7	-62.9	0	0	0	0	110.7	D313 D320	D313-V315 VanDerWaalsContact C-N 3.32Å; D313-V315 VanDerWaalsContact CG-CG2 3.43Å; D313-V315 WeakPolarHBondContact OD1-CG2 3.47Å; D313-V315 PolarHBondContact OD1-N 3.06Å; D313-V315 VanDerWaalsContact OD1-O 3.08Å; D313-V315 VanDerWaalsContact OD2-CG2 3.3Å; D313-V315 WeakPolarHBondContact OD2-CG2 3.45Å; V315-D320 VanDerWaalsContact O-OD2 3.08Å
316	L	65.1	Low	61.9	Low	0 Å²	0	37.2 Å²	37.2	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	107.6	174.5	-75.2	170.8	0	0	0	109.8	S279 L280 F285 F305 L308 D309 D320 W321	S279-L316 WeakPolarHBondContact CA-O 3.43Å; L280-L316 PolarHBondContact N-O 3.24Å; L280-L316 WeakPolarHBondContact O-CB 3.38Å; L280-L316 PolarHBondContact O-N 2.97Å; F285-L316 HydrophobicContact CB-CD1 4.44Å; F285-L316 HydrophobicContact CD1-CD1 4.06Å; F285-L316 HydrophobicContact CD2-CD1 4.08Å; F285-L316 HydrophobicContact CE1-CD1 4.35Å; F285-L316 HydrophobicContact CE2-CD1 4.41Å; F285-L316 HydrophobicContact CG-CD1 3.91Å; F305-L316 HydrophobicContact CD2-CD1 3.63Å; F305-L316 HydrophobicContact CD2-CG 4.01Å; F305-L316 HydrophobicContact CE2-CB 4.49Å; F305-L316 HydrophobicContact CE2-CD1 3.33Å; F305-L316 HydrophobicContact CE2-CD2 4.15Å; F305-L316 HydrophobicContact CE2-CG 3.34Å; F305-L316 HydrophobicContact CZ-CD1 4.31Å; F305-L316 HydrophobicContact CZ-CD2 4.47Å; F305-L316 HydrophobicContact CZ-CG 3.84Å; L308-L316 HydrophobicContact CB-CD1 4.48Å; L308-L316 HydrophobicContact CB-CD2 3.43Å; L308-L316 VanDerWaalsContact CB-CD2 3.43Å; L308-L316 HydrophobicContact CD1-CD1 4.49Å; D309-L316 HydrophobicContact CB-CD2 3.96Å; D309-L316 VanDerWaalsContact N-CD2 3.34Å; L316-D320 HydrophobicContact CD2-CB 4.35Å; L316-W321 HydrophobicContact CD1-CZ2 3.86Å
317	D	65.3	Low	61.7	Low	24 Å²	24	34.1 Å²	34.1	13%	0.128	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	167.6	171.8	82	20.6	0	0	0	112.8	L277 L319 D320 W321	L277-D317 HydrophobicContact CD2-CB 3.99Å; L277-D317 WeakPolarHBondContact CD2-OD2 3.42Å; D317-L319 PolarHBondContact O-N 2.76Å; D317-L319 WeakPolarHBondContact OD1-CA 3.37Å; D317-L319 WeakPolarHBondContact OD1-CB 3.28Å; D317-L319 PolarHBondContact OD1-N 3.31Å; D317-D320 PolarHBondContact N-OD2 2.95Å; D317-D320 WeakPolarHBondContact O-CB 3.35Å; D317-D320 PolarHBondContact O-N 3.47Å; D317-D320 PolarHBondContact OD1-N 2.89Å; D317-W321 PolarHBondContact O-N 2.92Å; D317-W321 VanDerWaalsContact O-N 3.11Å
318	L	59.7	Low	61.6	Low	45 Å²	45	37.8 Å²	37.8	24%	0.236	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-23.3	179.9	-80.8	170.8	0	0	0	114.3	F263 F264 S322	F263-L318 HydrophobicContact CD1-CD2 3.3Å; F263-L318 HydrophobicContact CD1-CG 3.83Å; F263-L318 HydrophobicContact CE1-CD1 4.1Å; F263-L318 HydrophobicContact CE1-CD2 3.47Å; F263-L318 VanDerWaalsContact CE1-CD2 3.47Å; F263-L318 HydrophobicContact CE1-CG 3.4Å; F263-L318 VanDerWaalsContact CE1-CG 3.4Å; F263-L318 HydrophobicContact CG-CD2 3.97Å; F263-L318 HydrophobicContact CZ-CD2 4.24Å; F263-L318 HydrophobicContact CZ-CG 3.97Å; F264-L318 HydrophobicContact CZ-CD1 4.35Å; L318-S322 WeakPolarHBondContact O-CB 3.49Å; L318-S322 PolarHBondContact O-N 3.09Å
319	L	58.6	Low	61.4	Low	20 Å²	20	43.3 Å²	43.3	11%	0.105	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-45.3	176	-54.4	170.2	0	0	0	110.1	L277 D317 W321 S322 H323 H433 T436	L277-L319 HydrophobicContact CD2-CD1 4.13Å; L277-L319 HydrophobicContact CD2-CG 4.26Å; D317-L319 PolarHBondContact O-N 2.76Å; D317-L319 WeakPolarHBondContact OD1-CA 3.37Å; D317-L319 WeakPolarHBondContact OD1-CB 3.28Å; D317-L319 PolarHBondContact OD1-N 3.31Å; L319-W321 VanDerWaalsContact C-N 3.34Å; L319-W321 PolarHBondContact O-N 3.4Å; L319-S322 WeakPolarHBondContact O-CA 3.44Å; L319-S322 VanDerWaalsContact O-CB 3.29Å; L319-S322 WeakPolarHBondContact O-CB 3.49Å; L319-S322 PolarHBondContact O-N 3.1Å; L319-S322 PolarHBondContact O-OG 3.31Å; L319-H323 PolarHBondContact O-CD2 3Å; L319-H323 PolarHBondContact O-N 3.17Å; L319-H323 PolarHBondContact O-NE2 2.62Å; L319-H433 WeakPolarHBondContact CD2-CD2 3.29Å; L319-H433 WeakPolarHBondContact CD2-NE2 3.39Å; L319-T436 HydrophobicContact CD1-CG2 4.17Å
320	D	58.5	Low	61.3	Low	1 Å²	1	44 Å²	44	1%	0.005	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-51	-53.4	173	-75.9	-48.5	0	0	0	111.5	L308 V310 S311 V315 L316 D317 S322 H323	L308-D320 CarbonylContact O-C 3.29Å; L308-D320 VanDerWaalsContact O-C 3.29Å; L308-D320 WeakPolarHBondContact O-CB 3.46Å; V310-D320 PolarHBondContact N-OD1 2.74Å; S311-D320 WeakPolarHBondContact CB-OD1 3.42Å; S311-D320 PolarHBondContact N-OD1 2.87Å; S311-D320 PolarHBondContact OG-OD1 2.88Å; S311-D320 VanDerWaalsContact OG-OD1 3.07Å; S311-D320 PolarHBondContact OG-OD2 2.88Å; V315-D320 VanDerWaalsContact O-OD2 3.08Å; L316-D320 HydrophobicContact CD2-CB 4.35Å; D317-D320 PolarHBondContact N-OD2 2.95Å; D317-D320 WeakPolarHBondContact O-CB 3.35Å; D317-D320 PolarHBondContact O-N 3.47Å; D317-D320 PolarHBondContact OD1-N 2.89Å; D320-S322 PolarHBondContact O-N 3.48Å; D320-H323 PolarHBondContact O-CD2 3.06Å; D320-H323 PolarHBondContact O-N 3.47Å; D320-H323 VanDerWaalsContact O-N 3.14Å
321	W	59.1	Low	61.3	Low	29 Å²	29	42.4 Å²	42.4	11%	0.11	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-57.7	-22.7	174.9	-74.9	103.6	0	0	0	114.5	M259 F263 F285 L308 L316 D317 L319 F335	M259-W321 HydrophobicContact CE-CE3 3.84Å; M259-W321 HydrophobicContact CE-CH2 4Å; M259-W321 HydrophobicContact CE-CZ3 3.18Å; F263-W321 AromaticContact CD2-CD1 3.4Å; F263-W321 VanDerWaalsContact CD2-CD1 3.4Å; F263-W321 HydrophobicContact CD2-CD2 4.36Å; F263-W321 AromaticContact CD2-CE2 3.75Å; F263-W321 HydrophobicContact CD2-CG 4.21Å; F263-W321 HydrophobicContact CD2-CZ2 4.36Å; F263-W321 AromaticContact CD2-NE1 3.16Å; F263-W321 AromaticContact CE2-CD1 3.5Å; F263-W321 AromaticContact CE2-NE1 3.32Å; F263-W321 VanDerWaalsContact CE2-NE1 3.32Å; F285-W321 HydrophobicContact CD2-CZ2 4.06Å; F285-W321 HydrophobicContact CE1-CH2 4.44Å; F285-W321 AromaticContact CE2-CH2 3.57Å; F285-W321 HydrophobicContact CE2-CH2 3.57Å; F285-W321 AromaticContact CE2-CZ2 3.28Å; F285-W321 HydrophobicContact CE2-CZ2 3.28Å; F285-W321 AromaticContact CZ-CH2 3.42Å; F285-W321 HydrophobicContact CZ-CH2 3.42Å; F285-W321 VanDerWaalsContact CZ-CH2 3.42Å; F285-W321 AromaticContact CZ-CZ2 3.6Å; F285-W321 HydrophobicContact CZ-CZ2 3.6Å; L308-W321 HydrophobicContact CD1-CH2 3.56Å; L308-W321 HydrophobicContact CD1-CZ2 4.2Å; L308-W321 HydrophobicContact CD1-CZ3 3.74Å; L308-W321 HydrophobicContact CD2-CE3 3.9Å; L308-W321 HydrophobicContact CD2-CH2 4.31Å; L308-W321 HydrophobicContact CD2-CZ3 3.63Å; L308-W321 HydrophobicContact CG-CH2 4.49Å; L308-W321 HydrophobicContact CG-CZ3 4.27Å; L316-W321 HydrophobicContact CD1-CZ2 3.86Å; D317-W321 PolarHBondContact O-N 2.92Å; D317-W321 VanDerWaalsContact O-N 3.11Å; L319-W321 VanDerWaalsContact C-N 3.34Å; L319-W321 PolarHBondContact O-N 3.4Å; W321-F335 HydrophobicContact CZ3-CZ 4.3Å
322	S	52.6	Low	61.2	Low	14 Å²	14	39.4 Å²	39.4	10%	0.098	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-84.4	-21.8	-176.9	82.6	0	0	0	0	112.5	L318 L319 D320 R396	L318-S322 WeakPolarHBondContact O-CB 3.49Å; L318-S322 PolarHBondContact O-N 3.09Å; L319-S322 WeakPolarHBondContact O-CA 3.44Å; L319-S322 VanDerWaalsContact O-CB 3.29Å; L319-S322 WeakPolarHBondContact O-CB 3.49Å; L319-S322 PolarHBondContact O-N 3.1Å; L319-S322 PolarHBondContact O-OG 3.31Å; D320-S322 PolarHBondContact O-N 3.48Å; S322-R396 VanDerWaalsContact C-CZ 3.41Å; S322-R396 WeakPolarHBondContact O-CD 3.34Å; S322-R396 PolarHBondContact O-NE 3.1Å; S322-R396 PolarHBondContact O-NH1 3.23Å; S322-R396 PolarHBondContact O-NH2 3.21Å; S322-R396 PolarHBondContact OG-NH1 3.47Å
323	H	61.7	Low	61	Low	10 Å²	10	39.2 Å²	39.2	5%	0.046	20%	0.204	C	C	.	.			trans	-62.1	144.7	-168	-72.5	-59.3	0	0	0	116.3	V310 L319 D320 K325 A326 R396 E400 R403 E437	V310-H323 HydrophobicContact CB-CB 3.87Å; V310-H323 VanDerWaalsContact CB-CD2 3.45Å; V310-H323 WeakPolarHBondContact CB-CD2 3.32Å; V310-H323 HydrophobicContact CG1-CB 3.82Å; V310-H323 HydrophobicContact CG2-CB 3.68Å; L319-H323 PolarHBondContact O-CD2 3Å; L319-H323 PolarHBondContact O-N 3.17Å; L319-H323 PolarHBondContact O-NE2 2.62Å; D320-H323 PolarHBondContact O-CD2 3.06Å; D320-H323 PolarHBondContact O-N 3.47Å; D320-H323 VanDerWaalsContact O-N 3.14Å; H323-K325 PolarHBondContact O-N 3.11Å; H323-A326 WeakPolarHBondContact O-CB 3.14Å; H323-A326 PolarHBondContact O-N 2.63Å; H323-R396 VanDerWaalsContact CA-NH2 3.27Å; H323-E400 IonicContact ND1-OE1 3.8Å; H323-R403 PolarHBondContact CE1-NH1 3.09Å; H323-R403 PolarHBondContact ND1-NH1 3.16Å; H323-R403 VanDerWaalsContact ND1-NH1 3.15Å; H323-E437 IonicContact CE1-OE1 3.76Å
324	L	53.9	Low	60.5	Low	22 Å²	22	36 Å²	36	12%	0.115	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-70.5	-27.5	-177.2	-92.5	173	0	0	0	114.3	M252 A326 F327 I364 L397 E400	M252-L324 HydrophobicContact CE-CD2 3.67Å; L324-A326 PolarHBondContact O-N 2.53Å; L324-A326 VanDerWaalsContact O-N 3.13Å; L324-F327 HydrophobicContact CD2-CD2 4.06Å; L324-F327 WeakPolarHBondContact O-CB 3.49Å; L324-F327 PolarHBondContact O-N 3.12Å; L324-I364 HydrophobicContact CD2-CD1 4.41Å; L324-L397 HydrophobicContact CD1-CD2 4.01Å; L324-L397 HydrophobicContact CD2-CD2 3.81Å; L324-E400 HydrophobicContact CB-CG 4.3Å; L324-E400 HydrophobicContact CD1-CB 3.37Å; L324-E400 HydrophobicContact CD1-CG 3.47Å; L324-E400 VanDerWaalsContact CD1-CG 3.47Å; L324-E400 HydrophobicContact CG-CB 4.21Å; L324-E400 HydrophobicContact CG-CG 3.73Å
325	K	54.4	Low	60.4	Low	131 Å²	131	34.8 Å²	34.8	57%	0.57	17%	0.171	S	C	*	.	G	3₁₀ helix	trans	-56.4	-29.8	178.8	-73.5	-174.7	177.2	-180	0	112.1	V310 H323 F327 E328	V310-K325 HydrophobicContact CG1-CD 4.25Å; H323-K325 PolarHBondContact O-N 3.11Å; K325-F327 PolarHBondContact O-N 3.29Å; K325-E328 PolarHBondContact O-N 3.44Å; K325-E328 VanDerWaalsContact O-N 3.14Å
326	A	53.7	Low	60.2	Low	5 Å²	5	36.3 Å²	36.3	4%	0.041	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-53.1	-32.9	172	0	0	0	0	0	112.3	H323 L324 L331	H323-A326 WeakPolarHBondContact O-CB 3.14Å; H323-A326 PolarHBondContact O-N 2.63Å; L324-A326 PolarHBondContact O-N 2.53Å; L324-A326 VanDerWaalsContact O-N 3.13Å; A326-L331 HydrophobicContact CB-CD1 3.48Å; A326-L331 VanDerWaalsContact CB-CD1 3.48Å; A326-L331 WeakPolarHBondContact O-CD1 3.28Å; A326-L331 WeakPolarHBondContact O-CG 3.25Å
327	F	55.4	Low	60.4	Low	24 Å²	24	37.8 Å²	37.8	11%	0.105	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-90.4	-2.6	-177.5	-62.6	-86.8	0	0	0	114.8	M252 F255 L256 L324 K325 Y329	M252-F327 HydrophobicContact CE-CD1 4.39Å; M252-F327 HydrophobicContact CE-CD2 3.98Å; M252-F327 HydrophobicContact CE-CE1 4.19Å; M252-F327 HydrophobicContact CE-CE2 3.77Å; M252-F327 HydrophobicContact CE-CG 4.28Å; M252-F327 HydrophobicContact CE-CZ 3.88Å; M252-F327 HydrophobicContact CG-CD1 4.27Å; M252-F327 HydrophobicContact CG-CE1 3.77Å; M252-F327 HydrophobicContact CG-CZ 4.13Å; F255-F327 HydrophobicContact CD1-CD1 4.38Å; F255-F327 AromaticContact CD1-CE1 3.28Å; F255-F327 HydrophobicContact CD1-CE1 3.28Å; F255-F327 AromaticContact CD1-CZ 3.54Å; F255-F327 HydrophobicContact CD1-CZ 3.54Å; F255-F327 AromaticContact CE1-CE1 3.65Å; F255-F327 HydrophobicContact CE1-CE1 3.65Å; F255-F327 AromaticContact CE1-CZ 3.75Å; F255-F327 HydrophobicContact CE1-CZ 3.75Å; F255-F327 HydrophobicContact CG-CE1 4.15Å; L256-F327 HydrophobicContact CD2-CE2 4.06Å; L256-F327 HydrophobicContact CD2-CZ 3.57Å; L256-F327 HydrophobicContact CG-CZ 3.88Å; L324-F327 HydrophobicContact CD2-CD2 4.06Å; L324-F327 WeakPolarHBondContact O-CB 3.49Å; L324-F327 PolarHBondContact O-N 3.12Å; K325-F327 PolarHBondContact O-N 3.29Å; F327-Y329 CarbonylContact C-O 3.55Å; F327-Y329 PolarHBondContact O-N 3.14Å
328	E	55.2	Low	60.5	Low	109 Å²	109	42.9 Å²	42.9	51%	0.509	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-65.5	-20.1	168.5	-68.8	-179.1	-172.1	0	0	111.6	K325 R361	K325-E328 PolarHBondContact O-N 3.44Å; K325-E328 VanDerWaalsContact O-N 3.14Å; E328-R361 PolarHBondContact O-NH2 2.89Å; E328-R361 VanDerWaalsContact O-NH2 3.17Å
329	Y	61.7	Low	60.8	Low	122 Å²	122	42.7 Å²	42.7	48%	0.478	21%	0.205	S	C	.	.	S	Bend	trans	-115.4	148.4	174	-58	-85.3	0	0	0	109.6	L307 F327 L331	L307-Y329 HydrophobicContact CD1-CD2 4.04Å; L307-Y329 HydrophobicContact CD1-CG 4.16Å; L307-Y329 HydrophobicContact CD2-CD2 3.71Å; L307-Y329 HydrophobicContact CD2-CE2 3.57Å; F327-Y329 CarbonylContact C-O 3.55Å; F327-Y329 PolarHBondContact O-N 3.14Å; Y329-L331 VanDerWaalsContact C-N 3.29Å; Y329-L331 PolarHBondContact O-N 3.24Å
330	D	61.9	Low	61.3	Low	29 Å²	29	49 Å²	49	16%	0.155	23%	0.232	C	C	.	.			trans	-78.5	81.2	172.4	-173.5	7.2	0	0	0	111	A332 S333 T351 L352 I357	D330-A332 PolarHBondContact O-N 3.44Å; D330-A332 VanDerWaalsContact OD1-CB 3.25Å; D330-A332 WeakPolarHBondContact OD1-CB 3.31Å; D330-A332 PolarHBondContact OD1-N 3.45Å; D330-A332 VanDerWaalsContact OD1-N 3.12Å; D330-S333 WeakPolarHBondContact O-CB 3.25Å; D330-S333 PolarHBondContact O-N 2.94Å; D330-S333 VanDerWaalsContact O-N 3.12Å; D330-S333 PolarHBondContact O-OG 3.19Å; D330-T351 WeakPolarHBondContact OD2-CA 3.4Å; D330-T351 WeakPolarHBondContact OD2-CB 3.26Å; D330-T351 WeakPolarHBondContact OD2-CG2 3.25Å; D330-L352 PolarHBondContact OD2-N 2.99Å; D330-I357 HydrophobicContact CB-CD1 4.15Å
331	L	63.1	Low	62.1	Low	6 Å²	6	58.6 Å²	58.6	3%	0.031	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-64.6	-16.8	177.3	-63.5	177.3	0	0	0	112.9	F255 L307 L308 A326 Y329 S333 L334 F335	F255-L331 HydrophobicContact CE2-CB 4.09Å; F255-L331 HydrophobicContact CZ-CB 3.68Å; F255-L331 HydrophobicContact CZ-CD1 4.36Å; L307-L331 HydrophobicContact CB-CD2 4.42Å; L307-L331 HydrophobicContact CD1-CD2 4.05Å; L308-L331 HydrophobicContact CD2-CD1 3.92Å; A326-L331 HydrophobicContact CB-CD1 3.48Å; A326-L331 VanDerWaalsContact CB-CD1 3.48Å; A326-L331 WeakPolarHBondContact O-CD1 3.28Å; A326-L331 WeakPolarHBondContact O-CG 3.25Å; Y329-L331 VanDerWaalsContact C-N 3.29Å; Y329-L331 PolarHBondContact O-N 3.24Å; L331-S333 PolarHBondContact O-N 2.93Å; L331-L334 HydrophobicContact CD2-CD1 3.55Å; L331-L334 WeakPolarHBondContact O-CB 3.48Å; L331-L334 PolarHBondContact O-N 2.86Å; L331-F335 WeakPolarHBondContact O-CD2 3.49Å
332	A	64.3	Low	62.9	Low	2 Å²	2	60.9 Å²	60.9	2%	0.017	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-62.2	-24.1	174.4	0	0	0	0	0	111.8	F255 D330 L334 F335 Q347 V349 T351	F255-A332 HydrophobicContact CD2-CB 4.02Å; F255-A332 HydrophobicContact CE2-CB 4.21Å; D330-A332 PolarHBondContact O-N 3.44Å; D330-A332 VanDerWaalsContact OD1-CB 3.25Å; D330-A332 WeakPolarHBondContact OD1-CB 3.31Å; D330-A332 PolarHBondContact OD1-N 3.45Å; D330-A332 VanDerWaalsContact OD1-N 3.12Å; A332-L334 VanDerWaalsContact C-N 3.25Å; A332-L334 PolarHBondContact O-N 2.92Å; A332-F335 PolarHBondContact O-N 3.41Å; A332-Q347 PolarHBondContact O-NE2 3.44Å; A332-V349 HydrophobicContact CB-CB 4.19Å; A332-V349 HydrophobicContact CB-CG1 4.49Å; A332-T351 HydrophobicContact CB-CG2 4Å
333	S	64.4	Low	63.9	Low	58 Å²	58	62 Å²	62	41%	0.406	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-65.8	-25.2	173.5	68.9	0	0	0	0	113.4	D330 L331 F335	D330-S333 WeakPolarHBondContact O-CB 3.25Å; D330-S333 PolarHBondContact O-N 2.94Å; D330-S333 VanDerWaalsContact O-N 3.12Å; D330-S333 PolarHBondContact O-OG 3.19Å; L331-S333 PolarHBondContact O-N 2.93Å; S333-F335 VanDerWaalsContact C-N 3.32Å
334	L	63.4	Low	64.7	Low	28 Å²	28	66 Å²	66	15%	0.147	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-78.2	-17.1	179.6	-60	178	0	0	0	113	W304 L331 A332 I336	W304-L334 HydrophobicContact CB-CD1 3.75Å; L331-L334 HydrophobicContact CD2-CD1 3.55Å; L331-L334 WeakPolarHBondContact O-CB 3.48Å; L331-L334 PolarHBondContact O-N 2.86Å; A332-L334 VanDerWaalsContact C-N 3.25Å; A332-L334 PolarHBondContact O-N 2.92Å; L334-I336 PolarHBondContact O-N 3.08Å
335	F	66.3	Low	65.8	Low	10 Å²	10	69.3 Å²	69.3	4%	0.044	34%	0.344	C	S	.	.			trans	-106.5	55.1	-172.3	-64.4	-74.5	0	0	0	112.6	F255 M259 L262 W321 L331 A332 S333 L348	F255-F335 HydrophobicContact CE2-CD2 4.3Å; F255-F335 HydrophobicContact CE2-CE2 4.48Å; M259-F335 HydrophobicContact CE-CD1 4.3Å; M259-F335 HydrophobicContact CE-CD2 4.1Å; M259-F335 HydrophobicContact CE-CE1 3.64Å; M259-F335 HydrophobicContact CE-CE2 3.41Å; M259-F335 VanDerWaalsContact CE-CE2 3.41Å; M259-F335 HydrophobicContact CE-CZ 3.16Å; M259-F335 HydrophobicContact SD-CD1 4.37Å; M259-F335 HydrophobicContact SD-CD2 3.77Å; M259-F335 HydrophobicContact SD-CE1 4.28Å; M259-F335 HydrophobicContact SD-CE2 3.67Å; M259-F335 HydrophobicContact SD-CG 4.15Å; M259-F335 HydrophobicContact SD-CZ 3.96Å; L262-F335 HydrophobicContact CD2-CD1 3.71Å; L262-F335 HydrophobicContact CD2-CE1 3.66Å; W321-F335 HydrophobicContact CZ3-CZ 4.3Å; L331-F335 WeakPolarHBondContact O-CD2 3.49Å; A332-F335 PolarHBondContact O-N 3.41Å; S333-F335 VanDerWaalsContact C-N 3.32Å; F335-L348 HydrophobicContact CB-CD1 4.23Å
336	I	66.8	Low	67	Low	73 Å²	73	63.6 Å²	63.6	37%	0.374	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	120.4	170.9	-61.8	174.5	0	0	0	108.7	L334 V345 Q347	L334-I336 PolarHBondContact O-N 3.08Å; I336-V345 HydrophobicContact CG2-CG1 3.21Å; I336-Q347 HydrophobicContact CG1-CG 4.47Å
337	L	69.4	Low	68	Low	32 Å²	32	64.7 Å²	64.7	17%	0.168	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	142.1	-179.9	-55.6	179.7	0	0	0	109.9	P178 I294 V345 E346 L348	P178-L337 HydrophobicContact CG-CD1 3.86Å; I294-L337 HydrophobicContact CB-CD2 4.09Å; I294-L337 HydrophobicContact CD1-CD2 3.41Å; I294-L337 VanDerWaalsContact CD1-CD2 3.41Å; I294-L337 HydrophobicContact CG1-CD2 3.34Å; I294-L337 HydrophobicContact CG2-CD2 4.03Å; L337-V345 CarbonylContact O-C 3.56Å; L337-V345 WeakPolarHBondContact O-CA 3.48Å; L337-E346 WeakPolarHBondContact CA-O 3.43Å; L337-E346 HydrophobicContact CB-CB 4.5Å; L337-E346 WeakPolarHBondContact CB-O 3.34Å; L337-E346 PolarHBondContact N-O 3.24Å; L337-E346 PolarHBondContact O-N 3.05Å; L337-E346 VanDerWaalsContact O-O 3.11Å; L337-L348 HydrophobicContact CD1-CD1 3.93Å; L337-L348 HydrophobicContact CD1-CD2 3.95Å; L337-L348 HydrophobicContact CD1-CG 3.66Å; L337-L348 HydrophobicContact CD2-CD1 4.43Å; L337-L348 HydrophobicContact CG-CD1 4.29Å; L337-L348 HydrophobicContact CG-CG 4.21Å
338	K	66.4	Low	69	Low	131 Å²	131	64.5 Å²	64.5	57%	0.57	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.8	116.5	161.6	-169.6	174.1	-176.6	175.9	0	108.5	K340 G343	K338-K340 PolarHBondContact O-N 2.67Å; K338-G343 WeakPolarHBondContact CE-O 3.39Å
339	N	65.6	Low	69.9	Low	40 Å²	40	59.5 Å²	59.5	21%	0.214	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-64.7	121.5	178.5	-173.6	-37.6	0	0	0	109.7	K341 T342 G343 E344 E346	N339-K341 VanDerWaalsContact C-N 3.26Å; N339-K341 PolarHBondContact O-N 2.83Å; N339-K341 WeakPolarHBondContact OD1-CB 3.19Å; N339-K341 PolarHBondContact OD1-N 3.31Å; N339-T342 WeakPolarHBondContact CB-OG1 3.12Å; N339-T342 PolarHBondContact OD1-N 3.01Å; N339-G343 WeakPolarHBondContact O-CA 2.89Å; N339-G343 PolarHBondContact O-N 3.46Å; N339-E344 PolarHBondContact N-O 3.38Å; N339-E346 HydrophobicContact CB-CG 4.31Å; N339-E346 PolarHBondContact ND2-OE1 3.35Å
340	K	70.2	Confident	70.8	Confident	154 Å²	154	54.3 Å²	54.3	67%	0.67	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-26.6	-178.3	-65.6	-174.4	-178.7	-178.4	0	113.5	G291 K338	G291-K340 PolarHBondContact O-NZ 3.15Å; K338-K340 PolarHBondContact O-N 2.67Å
341	K	73.7	Confident	71.8	Confident	202 Å²	202	53.3 Å²	53.3	88%	0.878	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-43.4	-176.9	-66.3	-177.1	178.7	-179.9	0	112.8	N339	N339-K341 VanDerWaalsContact C-N 3.26Å; N339-K341 PolarHBondContact O-N 2.83Å; N339-K341 WeakPolarHBondContact OD1-CB 3.19Å; N339-K341 PolarHBondContact OD1-N 3.31Å
342	T	76.3	Confident	72.8	Confident	76 Å²	76	53.7 Å²	53.7	47%	0.466	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-17.9	-177.1	67	0	0	0	0	113.2	N339 E344	N339-T342 WeakPolarHBondContact CB-OG1 3.12Å; N339-T342 PolarHBondContact OD1-N 3.01Å; T342-E344 WeakPolarHBondContact CB-OE2 3.36Å; T342-E344 PolarHBondContact O-N 3.19Å; T342-E344 WeakPolarHBondContact OG1-CB 3.37Å; T342-E344 PolarHBondContact OG1-N 3Å; T342-E344 PolarHBondContact OG1-OE2 2.94Å
343	G	74.5	Confident	73.9	Confident	38 Å²	38	54.3 Å²	54.3	39%	0.392	28%	0.283	S	S	.	.			trans	75.6	-5.1	-174.1	0	0	0	0	0	114.4	K338 N339	K338-G343 WeakPolarHBondContact CE-O 3.39Å; N339-G343 WeakPolarHBondContact O-CA 2.89Å; N339-G343 PolarHBondContact O-N 3.46Å
344	E	78.5	Confident	75	Confident	94 Å²	94	56.9 Å²	56.9	44%	0.439	30%	0.296	S	S	.	.			trans	-74.4	151.9	-177.4	-64.8	165.4	145.9	0	0	111.9	K176 N339 T342	K176-E344 HydrophobicContact CD-CB 4.43Å; K176-E344 WeakPolarHBondContact CD-OE2 3.22Å; K176-E344 WeakPolarHBondContact CE-OE2 3.44Å; K176-E344 IonicContact NZ-OE2 3.72Å; K176-E344 PolarHBondContact NZ-OE2 3.35Å; N339-E344 PolarHBondContact N-O 3.38Å; T342-E344 WeakPolarHBondContact CB-OE2 3.36Å; T342-E344 PolarHBondContact O-N 3.19Å; T342-E344 WeakPolarHBondContact OG1-CB 3.37Å; T342-E344 PolarHBondContact OG1-N 3Å; T342-E344 PolarHBondContact OG1-OE2 2.94Å
345	V	77.4	Confident	76.2	Confident	91 Å²	91	61 Å²	61	55%	0.552	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.6	121.8	172.9	-178.5	0	0	0	0	108.4	I336 L337	I336-V345 HydrophobicContact CG2-CG1 3.21Å; L337-V345 CarbonylContact O-C 3.56Å; L337-V345 WeakPolarHBondContact O-CA 3.48Å
346	E	77.8	Confident	77.4	Confident	11 Å²	11	60.6 Å²	60.6	5%	0.051	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	137.8	178.4	-64.5	179.7	175.7	0	0	109	K176 P178 L337 N339	K176-E346 HydrophobicContact CB-CG 4.25Å; K176-E346 HydrophobicContact CD-CG 3.89Å; K176-E346 WeakPolarHBondContact CE-OE1 3.3Å; K176-E346 HydrophobicContact CG-CG 4.01Å; K176-E346 IonicContact NZ-OE1 3.27Å; K176-E346 PolarHBondContact NZ-OE1 3.07Å; K176-E346 WeakPolarHBondContact O-CA 3.5Å; P178-E346 WeakPolarHBondContact CA-OE2 2.94Å; P178-E346 WeakPolarHBondContact CB-OE2 3.33Å; P178-E346 HydrophobicContact CG-CB 3.9Å; L337-E346 WeakPolarHBondContact CA-O 3.43Å; L337-E346 HydrophobicContact CB-CB 4.5Å; L337-E346 WeakPolarHBondContact CB-O 3.34Å; L337-E346 PolarHBondContact N-O 3.24Å; L337-E346 PolarHBondContact O-N 3.05Å; L337-E346 VanDerWaalsContact O-O 3.11Å; N339-E346 HydrophobicContact CB-CG 4.31Å; N339-E346 PolarHBondContact ND2-OE1 3.35Å
347	Q	76.6	Confident	78.2	Confident	29 Å²	29	58.4 Å²	58.4	14%	0.136	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	131.4	178.3	-167.8	-179.6	5.1	0	0	109.8	P174 K176 P178 A332 I336 V349	P174-Q347 HydrophobicContact CB-CB 3.63Å; P174-Q347 HydrophobicContact CB-CG 4.37Å; K176-Q347 PolarHBondContact O-N 2.71Å; P178-Q347 WeakPolarHBondContact CD-O 3.31Å; A332-Q347 PolarHBondContact O-NE2 3.44Å; I336-Q347 HydrophobicContact CG1-CG 4.47Å; Q347-V349 VanDerWaalsContact C-N 3.33Å; Q347-V349 WeakPolarHBondContact CG-O 3.43Å; Q347-V349 PolarHBondContact NE2-O 3.42Å; Q347-V349 PolarHBondContact O-N 2.94Å
348	L	75.1	Confident	79.1	Confident	20 Å²	20	61 Å²	61	11%	0.105	31%	0.313	C	S	.	.	S	Bend	trans	-65.8	-37.4	-174.1	-82.8	166.6	0	0	0	112.4	R177 P178 F335 L337	R177-L348 PolarHBondContact NE-O 3.38Å; R177-L348 PolarHBondContact NH2-O 3.01Å; P178-L348 HydrophobicContact CG-CD2 3.92Å; P178-L348 HydrophobicContact CG-CG 4.41Å; F335-L348 HydrophobicContact CB-CD1 4.23Å; L337-L348 HydrophobicContact CD1-CD1 3.93Å; L337-L348 HydrophobicContact CD1-CD2 3.95Å; L337-L348 HydrophobicContact CD1-CG 3.66Å; L337-L348 HydrophobicContact CD2-CD1 4.43Å; L337-L348 HydrophobicContact CG-CD1 4.29Å; L337-L348 HydrophobicContact CG-CG 4.21Å
349	V	75.3	Confident	80.3	Confident	3 Å²	3	55.9 Å²	55.9	2%	0.018	29%	0.291	C	S	.	.	S	Bend	trans	-143.6	143.3	-170.4	-172.1	0	0	0	0	109.1	Q251 D254 F255 Q258 A332 Q347	Q251-V349 HydrophobicContact CG-CG1 4.34Å; D254-V349 HydrophobicContact CB-CG1 4.45Å; F255-V349 HydrophobicContact CB-CG1 3.93Å; F255-V349 HydrophobicContact CB-CG2 4.41Å; F255-V349 HydrophobicContact CD2-CB 4.41Å; F255-V349 HydrophobicContact CD2-CG1 4.38Å; F255-V349 HydrophobicContact CD2-CG2 4.19Å; Q258-V349 HydrophobicContact CB-CG2 3.97Å; Q258-V349 HydrophobicContact CG-CG2 3.72Å; A332-V349 HydrophobicContact CB-CB 4.19Å; A332-V349 HydrophobicContact CB-CG1 4.49Å; Q347-V349 VanDerWaalsContact C-N 3.33Å; Q347-V349 WeakPolarHBondContact CG-O 3.43Å; Q347-V349 PolarHBondContact NE2-O 3.42Å; Q347-V349 PolarHBondContact O-N 2.94Å
350	P	80.1	Confident	81.4	Confident	13 Å²	13	54.2 Å²	54.2	8%	0.084	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-55.9	139.1	169.5	-23	33.5	0	0	0	112.4	Q172 Q251	Q172-P350 WeakPolarHBondContact O-CA 3.45Å; Q172-P350 WeakPolarHBondContact O-CB 3.33Å; Q251-P350 HydrophobicContact CG-CB 4.33Å; Q251-P350 PolarHBondContact NE2-O 2.73Å
351	T	82.4	Confident	82.2	Confident	8 Å²	8	52.2 Å²	52.2	5%	0.049	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	152.3	172	34.4	0	0	0	0	110.6	L171 Q172 D330 A332	L171-T351 WeakPolarHBondContact CA-O 3.49Å; Q172-T351 VanDerWaalsContact CB-OG1 3.31Å; Q172-T351 WeakPolarHBondContact CB-OG1 3.48Å; Q172-T351 PolarHBondContact N-O 3.06Å; Q172-T351 PolarHBondContact O-N 3.15Å; Q172-T351 PolarHBondContact OE1-OG1 3.33Å; D330-T351 WeakPolarHBondContact OD2-CA 3.4Å; D330-T351 WeakPolarHBondContact OD2-CB 3.26Å; D330-T351 WeakPolarHBondContact OD2-CG2 3.25Å; A332-T351 HydrophobicContact CB-CG2 4Å
352	L	83.5	Confident	83.1	Confident	14 Å²	14	44.7 Å²	44.7	7%	0.073	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	138.6	174.2	-63.3	-177.9	0	0	0	109.1	L171 L248 Q251 D330 I357	L171-L352 HydrophobicContact CD2-CD2 3.47Å; L171-L352 VanDerWaalsContact CD2-CD2 3.47Å; L248-L352 HydrophobicContact CD2-CD2 3.69Å; Q251-L352 HydrophobicContact CG-CD2 4.2Å; D330-L352 PolarHBondContact OD2-N 2.99Å; L352-I357 HydrophobicContact CB-CG1 3.65Å; L352-I357 HydrophobicContact CD1-CG1 4.1Å
353	T	88.3	Confident	83.9	Confident	16 Å²	16	41 Å²	41	10%	0.098	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-70.7	167.7	165.5	62.3	0	0	0	0	109.9	E169 V170 Q172 E355 G356 I357	E169-T353 PolarHBondContact O-OG1 3.37Å; V170-T353 VanDerWaalsContact CA-OG1 3.25Å; V170-T353 WeakPolarHBondContact CA-OG1 3.32Å; V170-T353 PolarHBondContact O-N 2.85Å; V170-T353 PolarHBondContact O-OG1 3.34Å; Q172-T353 HydrophobicContact CG-CG2 3.95Å; T353-E355 PolarHBondContact O-N 2.92Å; T353-G356 WeakPolarHBondContact O-CA 3.25Å; T353-G356 PolarHBondContact O-N 3.43Å; T353-G356 PolarHBondContact OG1-N 2.96Å; T353-I357 WeakPolarHBondContact O-CG1 3.31Å; T353-I357 PolarHBondContact O-N 3.37Å
354	T	86.7	Confident	84.6	Confident	112 Å²	112	41.2 Å²	41.2	69%	0.687	21%	0.209	S	C	*	.	H	α-helix	trans	-53.7	-42.7	172.9	-53.4	0	0	0	0	111.3	I357 E358	T354-I357 PolarHBondContact O-N 3.43Å; T354-E358 PolarHBondContact O-N 3.45Å; T354-E358 VanDerWaalsContact O-N 3.1Å
355	E	90.2	Very high	85.2	Confident	115 Å²	115	43.7 Å²	43.7	54%	0.537	22%	0.218	S	C	.	.	H	α-helix	trans	-64.2	-42.2	175.2	-63.7	71.6	-159.2	0	0	111.3	T353 I357 E358 E359	T353-E355 PolarHBondContact O-N 2.92Å; E355-I357 PolarHBondContact O-N 2.98Å; E355-E358 PolarHBondContact O-N 3.21Å; E355-E359 WeakPolarHBondContact O-CG 2.91Å; E355-E359 PolarHBondContact O-N 3.23Å
356	G	89.7	Confident	86.1	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-62.8	-39.4	176.9	0	0	0	0	0	113.6	T353 M360	T353-G356 WeakPolarHBondContact O-CA 3.25Å; T353-G356 PolarHBondContact O-N 3.43Å; T353-G356 PolarHBondContact OG1-N 2.96Å; G356-M360 WeakPolarHBondContact O-CB 3.29Å; G356-M360 PolarHBondContact O-N 3.21Å
357	I	85.2	Confident	86.9	Confident	27 Å²	27	39.7 Å²	39.7	14%	0.138	19%	0.193	C	C	.	.	H	α-helix	trans	-63.6	-46.1	173.7	-63.8	171.4	0	0	0	109.9	D330 L352 T353 T354 E355 M360 R361	D330-I357 HydrophobicContact CB-CD1 4.15Å; L352-I357 HydrophobicContact CB-CG1 3.65Å; L352-I357 HydrophobicContact CD1-CG1 4.1Å; T353-I357 WeakPolarHBondContact O-CG1 3.31Å; T353-I357 PolarHBondContact O-N 3.37Å; T354-I357 PolarHBondContact O-N 3.43Å; E355-I357 PolarHBondContact O-N 2.98Å; I357-M360 WeakPolarHBondContact O-CB 3.1Å; I357-M360 PolarHBondContact O-N 3.19Å; I357-R361 VanDerWaalsContact CG2-NH2 3.29Å; I357-R361 WeakPolarHBondContact O-CG 3.48Å; I357-R361 PolarHBondContact O-N 3.22Å
358	E	88.4	Confident	87.6	Confident	88 Å²	88	41.1 Å²	41.1	41%	0.411	20%	0.202	S	C	.	.	H	α-helix	trans	-66.1	-42.9	-178.6	-170.2	58	-159.6	0	0	112.4	T354 E355 M360 R361 N362	T354-E358 PolarHBondContact O-N 3.45Å; T354-E358 VanDerWaalsContact O-N 3.1Å; E355-E358 PolarHBondContact O-N 3.21Å; E358-M360 VanDerWaalsContact C-N 3.31Å; E358-M360 PolarHBondContact O-N 3.42Å; E358-R361 WeakPolarHBondContact O-CB 3.4Å; E358-R361 PolarHBondContact O-N 2.83Å; E358-R361 IonicContact OE2-NH1 2.68Å; E358-R361 PolarHBondContact OE2-NH1 3.45Å; E358-N362 PolarHBondContact O-N 2.77Å; E358-N362 PolarHBondContact O-ND2 3.36Å
359	E	91.9	Very high	88.6	Confident	22 Å²	22	42.4 Å²	42.4	10%	0.103	21%	0.211	C	C	.	.	H	α-helix	trans	-65.6	-33.7	175.1	-73	-167.2	-170.5	0	0	112.5	Y206 E209 R245 L248 E355 N362 M363	Y206-E359 PolarHBondContact OH-OE1 2.91Å; E209-E359 HydrophobicContact CG-CG 4.14Å; R245-E359 WeakPolarHBondContact CD-OE2 3.23Å; R245-E359 WeakPolarHBondContact CG-OE2 3.45Å; R245-E359 IonicContact CZ-OE1 3.65Å; R245-E359 IonicContact CZ-OE2 3.95Å; R245-E359 VanDerWaalsContact NE-CD 3.33Å; R245-E359 IonicContact NE-OE1 3.15Å; R245-E359 PolarHBondContact NE-OE1 3.13Å; R245-E359 IonicContact NE-OE2 3.91Å; R245-E359 PolarHBondContact NE-OE2 2.72Å; R245-E359 IonicContact NH2-OE1 3.99Å; R245-E359 PolarHBondContact NH2-OE1 3.16Å; R245-E359 IonicContact NH2-OE2 2.95Å; L248-E359 HydrophobicContact CD1-CB 3.74Å; E355-E359 WeakPolarHBondContact O-CG 2.91Å; E355-E359 PolarHBondContact O-N 3.23Å; E359-N362 PolarHBondContact O-N 2.83Å; E359-M363 PolarHBondContact O-N 3.47Å
360	M	88.7	Confident	89.6	Confident	6 Å²	6	42.3 Å²	42.3	3%	0.03	21%	0.21	C	C	.	.	H	α-helix	trans	-62.4	-45.6	171.8	179.9	66.8	84.1	0	0	110.7	L248 M252 G356 I357 E358 N362 M363 I364	L248-M360 HydrophobicContact CB-CE 3.76Å; L248-M360 HydrophobicContact CB-SD 4.49Å; L248-M360 HydrophobicContact CD1-CB 4.34Å; L248-M360 WeakPolarHBondContact O-CE 3.25Å; M252-M360 HydrophobicContact CB-CE 3.93Å; M252-M360 HydrophobicContact CG-CE 4.48Å; M252-M360 HydrophobicContact SD-CE 4.26Å; G356-M360 WeakPolarHBondContact O-CB 3.29Å; G356-M360 PolarHBondContact O-N 3.21Å; I357-M360 WeakPolarHBondContact O-CB 3.1Å; I357-M360 PolarHBondContact O-N 3.19Å; E358-M360 VanDerWaalsContact C-N 3.31Å; E358-M360 PolarHBondContact O-N 3.42Å; M360-N362 VanDerWaalsContact C-N 3.34Å; M360-N362 PolarHBondContact O-N 2.97Å; M360-M363 HydrophobicContact CE-CE 4.38Å; M360-M363 PolarHBondContact O-N 3.37Å; M360-M363 HydrophobicContact SD-CE 3.32Å; M360-M363 WeakPolarHBondContact SD-CE 3.37Å; M360-I364 HydrophobicContact CG-CD1 4.18Å; M360-I364 WeakPolarHBondContact O-CG1 3.48Å; M360-I364 PolarHBondContact O-N 2.93Å
361	R	86.4	Confident	90.3	Very high	111 Å²	111	41.8 Å²	41.8	42%	0.419	21%	0.207	S	C	.	.	H	α-helix	trans	-60.1	-43.6	175.3	-70	175.9	-170.9	140.3	0.5	111.6	E328 I357 E358 M363 I364 K365	E328-R361 PolarHBondContact O-NH2 2.89Å; E328-R361 VanDerWaalsContact O-NH2 3.17Å; I357-R361 VanDerWaalsContact CG2-NH2 3.29Å; I357-R361 WeakPolarHBondContact O-CG 3.48Å; I357-R361 PolarHBondContact O-N 3.22Å; E358-R361 WeakPolarHBondContact O-CB 3.4Å; E358-R361 PolarHBondContact O-N 2.83Å; E358-R361 IonicContact OE2-NH1 2.68Å; E358-R361 PolarHBondContact OE2-NH1 3.45Å; R361-M363 PolarHBondContact O-N 3.34Å; R361-I364 PolarHBondContact O-N 3.28Å; R361-K365 WeakPolarHBondContact O-CB 3.33Å; R361-K365 PolarHBondContact O-N 2.81Å
362	N	92.2	Very high	90.9	Very high	44 Å²	44	43.7 Å²	43.7	24%	0.235	22%	0.221	C	C	.	.	H	α-helix	trans	-62.7	-42.1	177.4	-70.7	-23.4	0	0	0	112.1	E209 E358 E359 M360 I364 K365 R366	E209-N362 WeakPolarHBondContact OE2-CB 3.47Å; E209-N362 PolarHBondContact OE2-ND2 2.87Å; E358-N362 PolarHBondContact O-N 2.77Å; E358-N362 PolarHBondContact O-ND2 3.36Å; E359-N362 PolarHBondContact O-N 2.83Å; M360-N362 VanDerWaalsContact C-N 3.34Å; M360-N362 PolarHBondContact O-N 2.97Å; N362-I364 PolarHBondContact O-N 2.96Å; N362-K365 PolarHBondContact O-N 3.12Å; N362-R366 VanDerWaalsContact O-CG 3.28Å; N362-R366 WeakPolarHBondContact O-CG 3.49Å; N362-R366 PolarHBondContact O-N 3.31Å
363	M	93.1	Very high	91.5	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-59.3	-47.2	174.3	-178.4	176.4	61.6	0	0	111.5	L243 L249 E359 M360 R361 K365 R366 V367 L397	L243-M363 HydrophobicContact CB-CG 4.22Å; L243-M363 WeakPolarHBondContact O-CA 3.35Å; L249-M363 HydrophobicContact CD1-SD 4.08Å; L249-M363 HydrophobicContact CD2-CE 3.5Å; L249-M363 HydrophobicContact CD2-SD 3.96Å; L249-M363 HydrophobicContact CG-CE 3.81Å; L249-M363 HydrophobicContact CG-SD 3.86Å; E359-M363 PolarHBondContact O-N 3.47Å; M360-M363 HydrophobicContact CE-CE 4.38Å; M360-M363 PolarHBondContact O-N 3.37Å; M360-M363 HydrophobicContact SD-CE 3.32Å; M360-M363 WeakPolarHBondContact SD-CE 3.37Å; R361-M363 PolarHBondContact O-N 3.34Å; M363-K365 PolarHBondContact O-N 2.92Å; M363-R366 PolarHBondContact O-N 3.15Å; M363-V367 WeakPolarHBondContact O-CG2 3.48Å; M363-V367 PolarHBondContact O-N 3.4Å; M363-V367 VanDerWaalsContact O-N 3.09Å; M363-L397 HydrophobicContact CE-CD1 4.35Å
364	I	89.6	Confident	91.8	Very high	42 Å²	42	45.2 Å²	45.2	22%	0.215	22%	0.224	C	C	.	.	H	α-helix	trans	-61.1	-45.3	177.3	-65.7	168.6	0	0	0	110.6	L324 M360 R361 N362 R366 V367 D368 L397	L324-I364 HydrophobicContact CD2-CD1 4.41Å; M360-I364 HydrophobicContact CG-CD1 4.18Å; M360-I364 WeakPolarHBondContact O-CG1 3.48Å; M360-I364 PolarHBondContact O-N 2.93Å; R361-I364 PolarHBondContact O-N 3.28Å; N362-I364 PolarHBondContact O-N 2.96Å; I364-R366 VanDerWaalsContact C-N 3.31Å; I364-R366 PolarHBondContact O-N 3.12Å; I364-V367 PolarHBondContact O-N 3.23Å; I364-V367 VanDerWaalsContact O-N 3.14Å; I364-D368 PolarHBondContact O-N 3.2Å; I364-L397 HydrophobicContact CD1-CD2 4.28Å; I364-L397 HydrophobicContact CG1-CD2 3.85Å
365	K	90.3	Very high	92.1	Very high	146 Å²	146	43.6 Å²	43.6	64%	0.635	21%	0.207	S	C	*	.	H	α-helix	trans	-59.7	-38.7	177.4	-175.9	177.7	-179.7	179.3	0	112.4	R361 N362 M363 D368 T369	R361-K365 WeakPolarHBondContact O-CB 3.33Å; R361-K365 PolarHBondContact O-N 2.81Å; N362-K365 PolarHBondContact O-N 3.12Å; M363-K365 PolarHBondContact O-N 2.92Å; K365-D368 PolarHBondContact O-N 3.11Å; K365-T369 WeakPolarHBondContact O-CB 3.32Å; K365-T369 PolarHBondContact O-N 2.81Å; K365-T369 PolarHBondContact O-OG1 2.76Å
366	R	95.8	Very high	92.3	Very high	10 Å²	10	42.4 Å²	42.4	4%	0.038	21%	0.212	C	C	.	.	H	α-helix	trans	-65.5	-42.3	175	-70.4	168.5	-173.6	116.2	13.2	111.8	E209 D213 M216 L243 N362 M363 I364 T369 L370	E209-R366 VanDerWaalsContact CD-NH2 3.28Å; E209-R366 PolarHBondContact O-NH2 2.93Å; E209-R366 IonicContact OE1-CZ 3.05Å; E209-R366 IonicContact OE1-NH1 3.15Å; E209-R366 PolarHBondContact OE1-NH1 2.84Å; E209-R366 IonicContact OE1-NH2 2.7Å; E209-R366 IonicContact OE2-CZ 3.62Å; E209-R366 VanDerWaalsContact OE2-CZ 3.29Å; E209-R366 IonicContact OE2-NH1 3.35Å; E209-R366 PolarHBondContact OE2-NH1 2.75Å; E209-R366 IonicContact OE2-NH2 2.74Å; E209-R366 PolarHBondContact OE2-NH2 2.76Å; D213-R366 IonicContact OD1-CZ 2.8Å; D213-R366 VanDerWaalsContact OD1-CZ 3.26Å; D213-R366 IonicContact OD1-NE 3.83Å; D213-R366 PolarHBondContact OD1-NE 3.29Å; D213-R366 IonicContact OD1-NH2 2.6Å; D213-R366 PolarHBondContact OD1-NH2 3.16Å; D213-R366 IonicContact OD2-NH2 3.67Å; M216-R366 HydrophobicContact CG-CB 4.39Å; M216-R366 HydrophobicContact SD-CB 3.73Å; M216-R366 HydrophobicContact SD-CG 3.7Å; L243-R366 HydrophobicContact CB-CB 4.26Å; L243-R366 HydrophobicContact CD2-CB 4.26Å; L243-R366 WeakPolarHBondContact O-CD 3.31Å; L243-R366 PolarHBondContact O-NH1 2.83Å; N362-R366 VanDerWaalsContact O-CG 3.28Å; N362-R366 WeakPolarHBondContact O-CG 3.49Å; N362-R366 PolarHBondContact O-N 3.31Å; M363-R366 PolarHBondContact O-N 3.15Å; I364-R366 VanDerWaalsContact C-N 3.31Å; I364-R366 PolarHBondContact O-N 3.12Å; R366-T369 PolarHBondContact O-N 3.48Å; R366-L370 WeakPolarHBondContact O-CG 3.41Å; R366-L370 PolarHBondContact O-N 3.02Å
367	V	94.6	Very high	92.4	Very high	8 Å²	8	43.7 Å²	43.7	5%	0.048	22%	0.219	C	C	.	.	H	α-helix	trans	-62.9	-46.3	175.9	179.7	0	0	0	0	110.7	L240 L243 M363 I364 T369 L370 A371 M401	L240-V367 HydrophobicContact CD2-CG1 4.4Å; L240-V367 HydrophobicContact CD2-CG2 3.59Å; L243-V367 HydrophobicContact CD1-CG2 3.61Å; M363-V367 WeakPolarHBondContact O-CG2 3.48Å; M363-V367 PolarHBondContact O-N 3.4Å; M363-V367 VanDerWaalsContact O-N 3.09Å; I364-V367 PolarHBondContact O-N 3.23Å; I364-V367 VanDerWaalsContact O-N 3.14Å; V367-T369 PolarHBondContact O-N 2.86Å; V367-L370 PolarHBondContact O-N 2.88Å; V367-A371 WeakPolarHBondContact O-CB 3.45Å; V367-A371 PolarHBondContact O-N 3.04Å; V367-M401 HydrophobicContact CG1-CG 3.66Å; V367-M401 HydrophobicContact CG1-SD 3.83Å
368	D	91.6	Very high	92.7	Very high	58 Å²	58	43.2 Å²	43.2	31%	0.31	22%	0.222	S	C	.	.	H	α-helix	trans	-59.2	-44.9	176	-179.1	86	0	0	0	111.8	I364 K365 L370 A371 S372 F405	I364-D368 PolarHBondContact O-N 3.2Å; K365-D368 PolarHBondContact O-N 3.11Å; D368-L370 PolarHBondContact O-N 3.41Å; D368-A371 PolarHBondContact O-N 2.95Å; D368-S372 WeakPolarHBondContact O-CB 3.17Å; D368-S372 PolarHBondContact O-N 2.7Å; D368-S372 PolarHBondContact O-OG 3.35Å; D368-F405 VanDerWaalsContact OD1-CZ 3.3Å; D368-F405 WeakPolarHBondContact OD1-CZ 3.42Å
369	T	95.8	Very high	92.9	Very high	48 Å²	48	39.1 Å²	39.1	29%	0.294	20%	0.202	S	C	.	.	H	α-helix	trans	-59.3	-45.6	177.4	-60.2	0	0	0	0	111.2	M216 K365 R366 V367 Y373	M216-T369 HydrophobicContact CE-CG2 4.48Å; M216-T369 HydrophobicContact SD-CG2 3.95Å; K365-T369 WeakPolarHBondContact O-CB 3.32Å; K365-T369 PolarHBondContact O-N 2.81Å; K365-T369 PolarHBondContact O-OG1 2.76Å; R366-T369 PolarHBondContact O-N 3.48Å; V367-T369 PolarHBondContact O-N 2.86Å; T369-Y373 VanDerWaalsContact O-CB 3.28Å; T369-Y373 WeakPolarHBondContact O-CB 3.41Å; T369-Y373 PolarHBondContact O-N 2.9Å
370	L	96.8	Very high	93.1	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-65	-43.3	177.3	-71.3	170.9	0	0	0	112.4	M216 F219 M220 I223 I238 L243 R366 V367 D368 Y373 A374	M216-L370 HydrophobicContact CG-CD1 4.12Å; M216-L370 HydrophobicContact CG-CD2 3.83Å; M216-L370 HydrophobicContact CG-CG 3.79Å; F219-L370 HydrophobicContact CB-CD1 4.12Å; F219-L370 HydrophobicContact CB-CD2 3.68Å; F219-L370 HydrophobicContact CD2-CD1 3.99Å; F219-L370 HydrophobicContact CG-CD1 4.46Å; M220-L370 HydrophobicContact CG-CD2 3.62Å; I223-L370 HydrophobicContact CD1-CD2 4.09Å; I238-L370 HydrophobicContact CD1-CD1 4.35Å; L243-L370 HydrophobicContact CD1-CD1 3.71Å; L243-L370 HydrophobicContact CD2-CD1 3.97Å; L243-L370 HydrophobicContact CG-CD1 4.5Å; R366-L370 WeakPolarHBondContact O-CG 3.41Å; R366-L370 PolarHBondContact O-N 3.02Å; V367-L370 PolarHBondContact O-N 2.88Å; D368-L370 PolarHBondContact O-N 3.41Å; L370-Y373 PolarHBondContact O-N 2.75Å; L370-A374 VanDerWaalsContact O-CB 3.26Å; L370-A374 WeakPolarHBondContact O-CB 3.46Å; L370-A374 PolarHBondContact O-N 2.96Å
371	A	94.8	Very high	93.5	Very high	3 Å²	3	39.9 Å²	39.9	3%	0.025	20%	0.204	C	C	.	.	H	α-helix	trans	-65.3	-45.8	179	0	0	0	0	0	111.7	V367 D368 Y373 A374 K375 F405 I412	V367-A371 WeakPolarHBondContact O-CB 3.45Å; V367-A371 PolarHBondContact O-N 3.04Å; D368-A371 PolarHBondContact O-N 2.95Å; A371-Y373 PolarHBondContact O-N 3.14Å; A371-A374 PolarHBondContact O-N 3.23Å; A371-K375 WeakPolarHBondContact O-CB 3.33Å; A371-K375 PolarHBondContact O-N 3.2Å; A371-F405 HydrophobicContact CB-CD1 4.35Å; A371-F405 HydrophobicContact CB-CD2 3.51Å; A371-F405 HydrophobicContact CB-CE1 4.3Å; A371-F405 HydrophobicContact CB-CE2 3.46Å; A371-F405 VanDerWaalsContact CB-CE2 3.46Å; A371-F405 HydrophobicContact CB-CG 3.99Å; A371-F405 HydrophobicContact CB-CZ 3.88Å; A371-I412 HydrophobicContact CB-CD1 3.74Å
372	S	95.4	Very high	93.9	Very high	48 Å²	48	34.6 Å²	34.6	34%	0.336	18%	0.184	S	C	.	.	H	α-helix	trans	-57.3	-47.5	174	-72.4	0	0	0	0	111.5	D368 K375 S376 F405	D368-S372 WeakPolarHBondContact O-CB 3.17Å; D368-S372 PolarHBondContact O-N 2.7Å; D368-S372 PolarHBondContact O-OG 3.35Å; S372-K375 PolarHBondContact O-N 3.39Å; S372-S376 PolarHBondContact O-N 3.13Å; S372-F405 WeakPolarHBondContact OG-CE1 3.27Å; S372-F405 VanDerWaalsContact OG-CZ 3.27Å; S372-F405 WeakPolarHBondContact OG-CZ 3.37Å
373	Y	95.9	Very high	94.2	Very high	62 Å²	62	32.7 Å²	32.7	24%	0.243	17%	0.174	C	C	.	.	H	α-helix	trans	-66.5	-46.8	179.4	-170	-120.1	0	0	0	112.4	M220 I223 D224 T369 L370 A371 K375 S376 V377	M220-Y373 HydrophobicContact CB-CD1 4.3Å; M220-Y373 HydrophobicContact CB-CE1 4.32Å; M220-Y373 HydrophobicContact CE-CD1 3.73Å; M220-Y373 HydrophobicContact CE-CD2 4.04Å; M220-Y373 HydrophobicContact CE-CE1 3.95Å; M220-Y373 HydrophobicContact CE-CE2 4.26Å; M220-Y373 HydrophobicContact CE-CG 3.76Å; M220-Y373 HydrophobicContact CG-CD1 4.2Å; I223-Y373 HydrophobicContact CB-CD1 4.2Å; I223-Y373 HydrophobicContact CB-CE1 4.35Å; I223-Y373 HydrophobicContact CD1-CD1 4.31Å; I223-Y373 HydrophobicContact CG2-CD1 3.68Å; I223-Y373 HydrophobicContact CG2-CE1 3.86Å; D224-Y373 PolarHBondContact OD1-OH 3.35Å; T369-Y373 VanDerWaalsContact O-CB 3.28Å; T369-Y373 WeakPolarHBondContact O-CB 3.41Å; T369-Y373 PolarHBondContact O-N 2.9Å; L370-Y373 PolarHBondContact O-N 2.75Å; A371-Y373 PolarHBondContact O-N 3.14Å; Y373-K375 VanDerWaalsContact C-N 3.27Å; Y373-K375 PolarHBondContact O-N 3.42Å; Y373-S376 PolarHBondContact O-N 3.07Å; Y373-S376 VanDerWaalsContact O-N 3.13Å; Y373-S376 PolarHBondContact O-OG 2.75Å; Y373-V377 HydrophobicContact CE2-CG1 4.11Å; Y373-V377 WeakPolarHBondContact O-CG2 3.1Å; Y373-V377 PolarHBondContact O-N 3.04Å
374	A	94.6	Very high	94.3	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-58.8	-41.2	176.8	0	0	0	0	0	111.8	I223 L370 A371 V377 G378 V379 V381	I223-A374 HydrophobicContact CD1-CB 3.96Å; I223-A374 HydrophobicContact CG1-CB 4.36Å; I223-A374 HydrophobicContact CG2-CB 4.42Å; L370-A374 VanDerWaalsContact O-CB 3.26Å; L370-A374 WeakPolarHBondContact O-CB 3.46Å; L370-A374 PolarHBondContact O-N 2.96Å; A371-A374 PolarHBondContact O-N 3.23Å; A374-V377 CarbonylContact O-C 3.53Å; A374-V377 PolarHBondContact O-N 2.97Å; A374-G378 CarbonylContact O-C 3.5Å; A374-G378 PolarHBondContact O-N 2.66Å; A374-V379 CarbonylContact C-O 3.49Å; A374-V379 WeakPolarHBondContact CB-O 3.36Å; A374-V379 PolarHBondContact O-N 3.03Å; A374-V379 VanDerWaalsContact O-O 3.08Å; A374-V381 HydrophobicContact CB-CG2 3.24Å
375	K	93.5	Very high	94.5	Very high	78 Å²	78	31.7 Å²	31.7	34%	0.339	17%	0.171	S	C	.	.	H	α-helix	trans	-61.5	-45.8	174.5	-174.8	172.6	178.6	172.5	0	111.7	A371 S372 Y373 V377 G378 F405 V411	A371-K375 WeakPolarHBondContact O-CB 3.33Å; A371-K375 PolarHBondContact O-N 3.2Å; S372-K375 PolarHBondContact O-N 3.39Å; Y373-K375 VanDerWaalsContact C-N 3.27Å; Y373-K375 PolarHBondContact O-N 3.42Å; K375-V377 VanDerWaalsContact C-N 3.32Å; K375-V377 PolarHBondContact O-N 2.82Å; K375-G378 PolarHBondContact O-N 3.39Å; K375-G378 VanDerWaalsContact O-N 3.07Å; K375-F405 HydrophobicContact CB-CD1 4.49Å; K375-F405 HydrophobicContact CD-CD1 3.91Å; K375-F405 PolarHBondContact NZ-O 2.86Å; K375-V411 HydrophobicContact CB-CG1 4.25Å
376	S	93.4	Very high	94.7	Very high	90 Å²	90	24.8 Å²	24.8	63%	0.629	14%	0.141	S	C	*	.	H	α-helix	trans	-64.4	-36.5	-178.2	76.9	0	0	0	0	112.5	S372 Y373 G378	S372-S376 PolarHBondContact O-N 3.13Å; Y373-S376 PolarHBondContact O-N 3.07Å; Y373-S376 VanDerWaalsContact O-N 3.13Å; Y373-S376 PolarHBondContact O-OG 2.75Å; S376-G378 VanDerWaalsContact C-N 3.35Å
377	V	92.8	Very high	94.7	Very high	26 Å²	26	24.3 Å²	24.3	16%	0.158	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	13	174.1	-54.9	0	0	0	0	113.3	I223 R233 Y373 A374 K375 V379	I223-V377 HydrophobicContact CG2-CG2 3.27Å; R233-V377 VanDerWaalsContact CD-O 3.23Å; R233-V377 WeakPolarHBondContact CD-O 3.48Å; R233-V377 PolarHBondContact NH1-O 2.94Å; Y373-V377 HydrophobicContact CE2-CG1 4.11Å; Y373-V377 WeakPolarHBondContact O-CG2 3.1Å; Y373-V377 PolarHBondContact O-N 3.04Å; A374-V377 CarbonylContact O-C 3.53Å; A374-V377 PolarHBondContact O-N 2.97Å; K375-V377 VanDerWaalsContact C-N 3.32Å; K375-V377 PolarHBondContact O-N 2.82Å; V377-V379 HydrophobicContact CG2-CB 4.16Å; V377-V379 HydrophobicContact CG2-CG2 3.86Å; V377-V379 PolarHBondContact O-N 3.02Å; V377-V379 VanDerWaalsContact O-N 3.13Å
378	G	91	Very high	94.7	Very high	18 Å²	18	23.9 Å²	23.9	19%	0.186	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.5	19.5	175	0	0	0	0	0	116.3	R233 A374 K375 S376	R233-G378 VanDerWaalsContact CB-O 3.29Å; R233-G378 WeakPolarHBondContact CB-O 3.28Å; R233-G378 VanDerWaalsContact CD-O 3.32Å; R233-G378 WeakPolarHBondContact CD-O 3.38Å; A374-G378 CarbonylContact O-C 3.5Å; A374-G378 PolarHBondContact O-N 2.66Å; K375-G378 PolarHBondContact O-N 3.39Å; K375-G378 VanDerWaalsContact O-N 3.07Å; S376-G378 VanDerWaalsContact C-N 3.35Å
379	V	93.7	Very high	94.9	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.006	12%	0.123	C	C	.	.			trans	-89.1	147.5	175.3	172.7	0	0	0	0	109.6	I223 R233 A374 V377	I223-V379 HydrophobicContact CG1-CG1 4.49Å; I223-V379 HydrophobicContact CG2-CB 4.15Å; I223-V379 HydrophobicContact CG2-CG1 4.41Å; I223-V379 HydrophobicContact CG2-CG2 4.29Å; R233-V379 HydrophobicContact CB-CG2 4.44Å; A374-V379 CarbonylContact C-O 3.49Å; A374-V379 WeakPolarHBondContact CB-O 3.36Å; A374-V379 PolarHBondContact O-N 3.03Å; A374-V379 VanDerWaalsContact O-O 3.08Å; V377-V379 HydrophobicContact CG2-CB 4.16Å; V377-V379 HydrophobicContact CG2-CG2 3.86Å; V377-V379 PolarHBondContact O-N 3.02Å; V377-V379 VanDerWaalsContact O-N 3.13Å
380	R	95	Very high	94.9	Very high	42 Å²	42	19.1 Å²	19.1	16%	0.158	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	142	174.7	-69.4	170.1	-76.4	-165.9	-16.2	110.6	D232 R233 G234 F235 T236 V411 F413 Y552	D232-R380 IonicContact OD1-NH2 2.74Å; D232-R380 PolarHBondContact OD1-NH2 2.91Å; R233-R380 PolarHBondContact O-NH2 2.95Å; G234-R380 PolarHBondContact O-N 2.85Å; F235-R380 CarbonylContact C-O 3.53Å; F235-R380 VanDerWaalsContact CA-O 3.25Å; F235-R380 WeakPolarHBondContact CA-O 3.44Å; F235-R380 HydrophobicContact CD1-CB 3.37Å; F235-R380 HydrophobicContact CE1-CB 3.41Å; F235-R380 VanDerWaalsContact CE1-CB 3.41Å; F235-R380 HydrophobicContact CE1-CG 4.18Å; F235-R380 HydrophobicContact CG-CB 4.08Å; F235-R380 HydrophobicContact CZ-CB 4.13Å; T236-R380 PolarHBondContact N-O 2.77Å; R380-V411 CarbonylContact C-O 3.54Å; R380-V411 VanDerWaalsContact CA-O 3.28Å; R380-V411 WeakPolarHBondContact CA-O 3.48Å; R380-V411 WeakPolarHBondContact CB-O 3.39Å; R380-F413 HydrophobicContact CB-CE2 4.43Å; R380-F413 HydrophobicContact CG-CE2 4.24Å; R380-Y552 PolarHBondContact NH1-OH 3.07Å; R380-Y552 PolarHBondContact NH2-OH 3.42Å
381	V	96.6	Very high	94.9	Very high	2 Å²	2	19.8 Å²	19.8	1%	0.012	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	128.6	177.6	-178.8	0	0	0	0	109.2	I238 A374 V383 V411 I412 F413	I238-V381 HydrophobicContact CD1-CG1 3.53Å; I238-V381 HydrophobicContact CG1-CG1 3.66Å; I238-V381 HydrophobicContact CG2-CG1 4.12Å; A374-V381 HydrophobicContact CB-CG2 3.24Å; V381-V383 HydrophobicContact CG1-CG2 4.48Å; V381-V411 PolarHBondContact N-O 3.34Å; V381-I412 HydrophobicContact CB-CD1 3.81Å; V381-I412 HydrophobicContact CG2-CD1 4.16Å; V381-I412 WeakPolarHBondContact O-CA 3.12Å; V381-F413 PolarHBondContact O-N 3.35Å
382	M	96.6	Very high	94.8	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	115.4	173.9	-171.8	164.5	-73	0	0	109	I145 F235 T236 A237 I238 D384 F413 K444 M500	I145-M382 HydrophobicContact CD1-CE 4.38Å; I145-M382 HydrophobicContact CD1-SD 4.19Å; I145-M382 HydrophobicContact CG2-SD 4.32Å; F235-M382 HydrophobicContact CD1-CB 4.19Å; F235-M382 HydrophobicContact CD1-CE 3.73Å; F235-M382 HydrophobicContact CE1-CE 3.82Å; F235-M382 HydrophobicContact CG-CE 4.09Å; F235-M382 HydrophobicContact CZ-CE 4.27Å; T236-M382 PolarHBondContact O-N 2.87Å; A237-M382 CarbonylContact C-O 3.42Å; A237-M382 WeakPolarHBondContact CA-O 3.43Å; I238-M382 PolarHBondContact N-O 3.28Å; M382-D384 PolarHBondContact O-N 3.4Å; M382-F413 HydrophobicContact CE-CB 4.49Å; M382-K444 HydrophobicContact CE-CB 4.19Å; M382-K444 HydrophobicContact CE-CD 4.39Å; M382-K444 HydrophobicContact CE-CG 4.23Å; M382-K444 HydrophobicContact CG-CD 4Å; M382-K444 HydrophobicContact SD-CB 4.21Å; M382-K444 HydrophobicContact SD-CD 3.4Å; M382-K444 WeakPolarHBondContact SD-CD 3.28Å; M382-K444 VanDerWaalsContact SD-CE 3.51Å; M382-K444 HydrophobicContact SD-CG 3.89Å; M382-M500 HydrophobicContact CE-CB 4.46Å; M382-M500 HydrophobicContact CE-CE 3.62Å; M382-M500 HydrophobicContact CE-SD 3.52Å; M382-M500 VanDerWaalsContact CE-SD 3.52Å; M382-M500 HydrophobicContact SD-SD 4.2Å
383	V	97.2	Very high	94.6	Very high	4 Å²	4	17.8 Å²	17.8	2%	0.024	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	109.3	176.2	-170.8	0	0	0	0	107.8	I238 L240 V381 I394 I398 I412 F413 T415	I238-V383 HydrophobicContact CD1-CG2 4.13Å; I238-V383 HydrophobicContact CG1-CB 4.48Å; I238-V383 HydrophobicContact CG1-CG2 4.06Å; L240-V383 HydrophobicContact CD1-CG1 4.34Å; L240-V383 HydrophobicContact CD2-CG1 4Å; L240-V383 HydrophobicContact CG-CG1 3.81Å; V381-V383 HydrophobicContact CG1-CG2 4.48Å; V383-I394 HydrophobicContact CG1-CG2 4.21Å; V383-I398 HydrophobicContact CB-CD1 3.72Å; V383-I398 HydrophobicContact CB-CG1 3.83Å; V383-I398 HydrophobicContact CG1-CD1 3.72Å; V383-I398 HydrophobicContact CG1-CG1 3.9Å; V383-I398 HydrophobicContact CG2-CD1 4.35Å; V383-I398 HydrophobicContact CG2-CG1 3.9Å; V383-I412 HydrophobicContact CG2-CG2 4.32Å; V383-F413 PolarHBondContact N-O 2.86Å; V383-T415 WeakPolarHBondContact O-CB 3.5Å; V383-T415 PolarHBondContact O-N 2.8Å; V383-T415 PolarHBondContact O-OG1 2.83Å
384	D	95	Very high	94.6	Very high	13 Å²	13	14.9 Å²	14.9	7%	0.07	9%	0.086	C	C	.	.			trans	-67.9	136.6	178.7	-84	-20.7	0	0	0	110	I238 K239 M382 K444 Y554	I238-D384 PolarHBondContact O-N 3.41Å; K239-D384 HydrophobicContact CG-CB 3.91Å; M382-D384 PolarHBondContact O-N 3.4Å; D384-K444 IonicContact OD1-NZ 2.84Å; D384-K444 PolarHBondContact OD1-NZ 3.04Å; D384-Y554 PolarHBondContact OD2-OH 2.86Å
385	A	94.8	Very high	94.5	Very high	9 Å²	9	17.2 Å²	17.2	7%	0.074	10%	0.095	C	C	.	.			trans	-70.3	142.6	173.3	0	0	0	0	0	110.9	T415 Q417 Y450	A385-T415 HydrophobicContact CB-CG2 3.59Å; A385-Q417 HydrophobicContact CB-CG 3.67Å; A385-Y450 PolarHBondContact O-OH 2.87Å
386	E	94.2	Very high	94.3	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.082	C	C	.	.			trans	-108.1	-155	170.9	-57.6	-170	65	0	0	111.3	R194 K239 L240 T241 F390 Q391 I394 Q417 Y450	R194-E386 IonicContact NH1-OE1 2.87Å; R194-E386 PolarHBondContact NH1-OE1 2.91Å; R194-E386 VanDerWaalsContact NH1-OE1 3.09Å; K239-E386 HydrophobicContact CD-CG 4.48Å; L240-E386 PolarHBondContact N-OE2 3.14Å; T241-E386 WeakPolarHBondContact CB-OE1 3.29Å; T241-E386 WeakPolarHBondContact CB-OE2 3.44Å; T241-E386 VanDerWaalsContact CG2-CD 3.43Å; T241-E386 WeakPolarHBondContact CG2-OE1 3.35Å; T241-E386 WeakPolarHBondContact CG2-OE2 3.41Å; T241-E386 PolarHBondContact N-OE2 3.21Å; T241-E386 PolarHBondContact OG1-OE1 3.1Å; T241-E386 PolarHBondContact OG1-OE2 3.41Å; T241-E386 VanDerWaalsContact OG1-OE2 3.12Å; E386-F390 HydrophobicContact CB-CD2 4.13Å; E386-Q391 PolarHBondContact O-NE2 3.46Å; E386-I394 HydrophobicContact CB-CD1 3.88Å; E386-I394 HydrophobicContact CG-CD1 4.05Å; E386-Q417 PolarHBondContact O-NE2 3.14Å; E386-Q417 PolarHBondContact O-OE1 2.93Å; E386-Y450 WeakPolarHBondContact O-CD2 3.39Å; E386-Y450 WeakPolarHBondContact O-CE2 3.49Å
387	Q	95.2	Very high	94.2	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.052	C	C	.	.			trans	-63.8	151.3	175.9	-64	84.5	-6	0	0	112.3	R194 Y389 F390 Q391 Y450	R194-Q387 PolarHBondContact O-NE2 2.93Å; Q387-Y389 HydrophobicContact CB-CD1 3.71Å; Q387-Y389 HydrophobicContact CB-CE1 3.25Å; Q387-Y389 HydrophobicContact CB-CE2 4.19Å; Q387-Y389 HydrophobicContact CB-CG 4.32Å; Q387-Y389 HydrophobicContact CG-CE1 3.64Å; Q387-Y389 PolarHBondContact O-N 3.28Å; Q387-F390 HydrophobicContact CB-CD2 3.95Å; Q387-F390 HydrophobicContact CB-CE2 4.22Å; Q387-F390 PolarHBondContact O-N 3.48Å; Q387-F390 VanDerWaalsContact OE1-CE2 3.23Å; Q387-Q391 PolarHBondContact O-N 3.11Å; Q387-Q391 PolarHBondContact O-NE2 2.82Å; Q387-Y450 HydrophobicContact CG-CD1 3.81Å; Q387-Y450 HydrophobicContact CG-CE1 4.23Å; Q387-Y450 HydrophobicContact CG-CG 4.08Å
388	S	95.8	Very high	94.3	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.047	C	C	.	.	G	3₁₀ helix	trans	-50.1	-39.9	178.9	58.6	0	0	0	0	112.8	F390 Q391 P392 E454	S388-F390 PolarHBondContact O-N 2.86Å; S388-F390 VanDerWaalsContact O-N 3.14Å; S388-Q391 WeakPolarHBondContact O-CB 3.4Å; S388-Q391 PolarHBondContact O-N 3.18Å; S388-P392 VanDerWaalsContact O-CD 3.28Å; S388-P392 WeakPolarHBondContact O-CD 3.41Å; S388-E454 WeakPolarHBondContact CA-OE1 3.32Å; S388-E454 WeakPolarHBondContact CB-OE1 3.28Å; S388-E454 PolarHBondContact N-OE1 3.04Å; S388-E454 PolarHBondContact OG-OE1 2.84Å
389	Y	95.3	Very high	94.4	Very high	6 Å²	6	8.7 Å²	8.7	2%	0.024	4%	0.04	C	C	.	.	G	3₁₀ helix	trans	-71.9	-5.5	-178.8	57.5	-96.2	0	0	0	114.4	Q184 Q250 S253 Q387	Q184-Y389 WeakPolarHBondContact O-CB 3.35Å; Q250-Y389 HydrophobicContact CG-CD2 4.18Å; S253-Y389 VanDerWaalsContact CB-O 3.28Å; S253-Y389 WeakPolarHBondContact CB-O 3.33Å; S253-Y389 PolarHBondContact OG-O 3.4Å; Q387-Y389 HydrophobicContact CB-CD1 3.71Å; Q387-Y389 HydrophobicContact CB-CE1 3.25Å; Q387-Y389 HydrophobicContact CB-CE2 4.19Å; Q387-Y389 HydrophobicContact CB-CG 4.32Å; Q387-Y389 HydrophobicContact CG-CE1 3.64Å; Q387-Y389 PolarHBondContact O-N 3.28Å
390	F	95.6	Very high	94.1	Very high	0 Å²	0	9 Å²	9	0%	0	4%	0.041	C	C	.	.	G	3₁₀ helix	trans	-103.1	-16.1	165.7	-56.5	-60.8	0	0	0	113	P246 L249 Q250 S253 E386 Q387 S388 A393 I394	P246-F390 HydrophobicContact CB-CE1 3.77Å; P246-F390 HydrophobicContact CB-CZ 3.72Å; P246-F390 WeakPolarHBondContact O-CE1 3.24Å; L249-F390 HydrophobicContact CB-CD1 3.99Å; Q250-F390 HydrophobicContact CB-CD1 3.85Å; Q250-F390 HydrophobicContact CB-CE1 3.7Å; S253-F390 PolarHBondContact OG-O 3.18Å; E386-F390 HydrophobicContact CB-CD2 4.13Å; Q387-F390 HydrophobicContact CB-CD2 3.95Å; Q387-F390 HydrophobicContact CB-CE2 4.22Å; Q387-F390 PolarHBondContact O-N 3.48Å; Q387-F390 VanDerWaalsContact OE1-CE2 3.23Å; S388-F390 PolarHBondContact O-N 2.86Å; S388-F390 VanDerWaalsContact O-N 3.14Å; F390-A393 PolarHBondContact O-N 3Å; F390-I394 HydrophobicContact CB-CD1 3.62Å; F390-I394 HydrophobicContact CB-CG1 4.18Å; F390-I394 VanDerWaalsContact O-CG1 3.32Å; F390-I394 WeakPolarHBondContact O-CG1 3.29Å; F390-I394 PolarHBondContact O-N 3.43Å
391	Q	95.9	Very high	94	Very high	14 Å²	14	7.3 Å²	7.3	7%	0.065	4%	0.035	C	C	.	.	H	α-helix	trans	-62.3	-39.7	-168.8	-66.1	-54.4	-68.6	0	0	114	E386 Q387 S388 A393 I394 R395 L420	E386-Q391 PolarHBondContact O-NE2 3.46Å; Q387-Q391 PolarHBondContact O-N 3.11Å; Q387-Q391 PolarHBondContact O-NE2 2.82Å; S388-Q391 WeakPolarHBondContact O-CB 3.4Å; S388-Q391 PolarHBondContact O-N 3.18Å; Q391-A393 VanDerWaalsContact C-N 3.32Å; Q391-A393 PolarHBondContact O-N 2.88Å; Q391-I394 PolarHBondContact O-N 2.8Å; Q391-R395 WeakPolarHBondContact O-CB 3.47Å; Q391-R395 PolarHBondContact O-N 3.08Å; Q391-L420 HydrophobicContact CG-CD1 4.48Å
392	P	92.3	Very high	93.9	Very high	9 Å²	9	7.2 Å²	7.2	6%	0.058	3%	0.034	C	C	.	.	H	α-helix	trans	-57.2	-44.9	177.9	-26.2	33.8	0	0	0	112.6	Y185 L256 V257 S388 R396	Y185-P392 HydrophobicContact CD1-CG 4.18Å; Y185-P392 HydrophobicContact CE1-CG 3.49Å; Y185-P392 VanDerWaalsContact CE1-CG 3.49Å; L256-P392 HydrophobicContact CD1-CB 4.41Å; V257-P392 HydrophobicContact CG2-CB 4.12Å; V257-P392 HydrophobicContact CG2-CG 3.83Å; S388-P392 VanDerWaalsContact O-CD 3.28Å; S388-P392 WeakPolarHBondContact O-CD 3.41Å; P392-R396 VanDerWaalsContact O-CB 3.23Å; P392-R396 WeakPolarHBondContact O-CB 3.45Å; P392-R396 PolarHBondContact O-N 3.29Å
393	A	92.2	Very high	93.6	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-68	-47	175.5	0	0	0	0	0	112.5	L249 M252 S253 F390 Q391 R395 R396 L397	L249-A393 HydrophobicContact CB-CB 4.3Å; L249-A393 HydrophobicContact CD2-CB 4Å; L249-A393 WeakPolarHBondContact O-CB 3.46Å; M252-A393 HydrophobicContact CB-CB 3.8Å; M252-A393 HydrophobicContact CG-CB 3.79Å; M252-A393 HydrophobicContact SD-CB 3.62Å; S253-A393 WeakPolarHBondContact OG-CB 3.35Å; S253-A393 PolarHBondContact OG-N 3.15Å; F390-A393 PolarHBondContact O-N 3Å; Q391-A393 VanDerWaalsContact C-N 3.32Å; Q391-A393 PolarHBondContact O-N 2.88Å; A393-R395 VanDerWaalsContact C-N 3.35Å; A393-R395 PolarHBondContact O-N 3.17Å; A393-R396 PolarHBondContact O-N 3.01Å; A393-L397 WeakPolarHBondContact O-CG 3.37Å; A393-L397 PolarHBondContact O-N 3.01Å
394	I	95.2	Very high	93.2	Very high	1 Å²	1	13.6 Å²	13.6	1%	0.005	6%	0.063	C	C	.	.	H	α-helix	trans	-58.7	-48.7	-179.9	-68.9	173.6	0	0	0	110.5	L240 L249 V383 E386 F390 Q391 R396 L397 I398	L240-I394 HydrophobicContact CB-CG1 4.28Å; L240-I394 HydrophobicContact CD1-CB 4.09Å; L240-I394 HydrophobicContact CD1-CG1 3.99Å; L240-I394 HydrophobicContact CD1-CG2 3.9Å; L240-I394 HydrophobicContact CG-CG1 4.42Å; L240-I394 HydrophobicContact CG-CG2 4.36Å; L249-I394 HydrophobicContact CD1-CG1 4.31Å; V383-I394 HydrophobicContact CG1-CG2 4.21Å; E386-I394 HydrophobicContact CB-CD1 3.88Å; E386-I394 HydrophobicContact CG-CD1 4.05Å; F390-I394 HydrophobicContact CB-CD1 3.62Å; F390-I394 HydrophobicContact CB-CG1 4.18Å; F390-I394 VanDerWaalsContact O-CG1 3.32Å; F390-I394 WeakPolarHBondContact O-CG1 3.29Å; F390-I394 PolarHBondContact O-N 3.43Å; Q391-I394 PolarHBondContact O-N 2.8Å; I394-R396 VanDerWaalsContact C-N 3.35Å; I394-R396 PolarHBondContact O-N 2.88Å; I394-L397 PolarHBondContact O-N 3.34Å; I394-I398 HydrophobicContact CG2-CD1 3.56Å; I394-I398 HydrophobicContact CG2-CG1 4.37Å; I394-I398 WeakPolarHBondContact O-CB 3.47Å; I394-I398 WeakPolarHBondContact O-CD1 3.46Å; I394-I398 WeakPolarHBondContact O-CG1 3.47Å; I394-I398 PolarHBondContact O-N 2.56Å
395	R	93.8	Very high	93.2	Very high	48 Å²	48	13.9 Å²	13.9	18%	0.181	6%	0.064	C	C	.	.	H	α-helix	trans	-61.5	-43.1	178.4	-171.9	166.6	62.6	73.9	-1.9	111.3	Q391 A393 L397 I398 I399 D430	Q391-R395 WeakPolarHBondContact O-CB 3.47Å; Q391-R395 PolarHBondContact O-N 3.08Å; A393-R395 VanDerWaalsContact C-N 3.35Å; A393-R395 PolarHBondContact O-N 3.17Å; R395-L397 PolarHBondContact O-N 2.9Å; R395-I398 WeakPolarHBondContact O-CB 3.4Å; R395-I398 PolarHBondContact O-N 3.39Å; R395-I399 WeakPolarHBondContact O-CG1 3.39Å; R395-I399 PolarHBondContact O-N 3.49Å; R395-D430 WeakPolarHBondContact CD-OD2 3.35Å; R395-D430 WeakPolarHBondContact CG-OD2 3.38Å; R395-D430 IonicContact NE-OD2 3.49Å; R395-D430 IonicContact NH1-OD1 3.58Å; R395-D430 PolarHBondContact NH1-OD1 2.99Å; R395-D430 IonicContact NH1-OD2 2.85Å; R395-D430 PolarHBondContact NH1-OD2 3.4Å
396	R	88.3	Confident	93.3	Very high	17 Å²	17	13.4 Å²	13.4	6%	0.064	6%	0.061	C	C	.	.	H	α-helix	trans	-59.1	-48.1	176.2	179.4	61.3	-130.8	178.2	-22.7	112.4	M252 L256 S322 H323 P392 A393 I394 I398 I399 E400	M252-R396 HydrophobicContact CE-CB 4.35Å; M252-R396 HydrophobicContact CE-CG 3.91Å; L256-R396 HydrophobicContact CD1-CB 3.81Å; L256-R396 HydrophobicContact CD1-CG 4.09Å; L256-R396 HydrophobicContact CD2-CG 4.43Å; S322-R396 VanDerWaalsContact C-CZ 3.41Å; S322-R396 WeakPolarHBondContact O-CD 3.34Å; S322-R396 PolarHBondContact O-NE 3.1Å; S322-R396 PolarHBondContact O-NH1 3.23Å; S322-R396 PolarHBondContact O-NH2 3.21Å; S322-R396 PolarHBondContact OG-NH1 3.47Å; H323-R396 VanDerWaalsContact CA-NH2 3.27Å; P392-R396 VanDerWaalsContact O-CB 3.23Å; P392-R396 WeakPolarHBondContact O-CB 3.45Å; P392-R396 PolarHBondContact O-N 3.29Å; A393-R396 PolarHBondContact O-N 3.01Å; I394-R396 VanDerWaalsContact C-N 3.35Å; I394-R396 PolarHBondContact O-N 2.88Å; R396-I398 VanDerWaalsContact C-N 3.33Å; R396-I398 PolarHBondContact O-N 3.5Å; R396-I399 PolarHBondContact O-N 3.29Å; R396-E400 VanDerWaalsContact CZ-CG 3.5Å; R396-E400 IonicContact CZ-OE1 3.84Å; R396-E400 IonicContact NH2-OE1 3.27Å; R396-E400 PolarHBondContact NH2-OE1 2.9Å; R396-E400 PolarHBondContact O-N 3.07Å; R396-E400 VanDerWaalsContact O-N 3.17Å
397	L	91.9	Very high	93.2	Very high	2 Å²	2	18.2 Å²	18.2	1%	0.01	8%	0.081	C	C	.	.	H	α-helix	trans	-61.6	-43	176.1	-69.7	170.7	0	0	0	111.3	L240 L249 M252 L324 M363 I364 A393 I394 R395 I399 E400 M401	L240-L397 HydrophobicContact CD1-CB 4Å; L240-L397 HydrophobicContact CD1-CD1 3.75Å; L249-L397 HydrophobicContact CD2-CD1 3.58Å; M252-L397 HydrophobicContact CE-CD2 4.49Å; M252-L397 HydrophobicContact CE-CG 4.49Å; M252-L397 HydrophobicContact SD-CG 4.49Å; L324-L397 HydrophobicContact CD1-CD2 4.01Å; L324-L397 HydrophobicContact CD2-CD2 3.81Å; M363-L397 HydrophobicContact CE-CD1 4.35Å; I364-L397 HydrophobicContact CD1-CD2 4.28Å; I364-L397 HydrophobicContact CG1-CD2 3.85Å; A393-L397 WeakPolarHBondContact O-CG 3.37Å; A393-L397 PolarHBondContact O-N 3.01Å; I394-L397 PolarHBondContact O-N 3.34Å; R395-L397 PolarHBondContact O-N 2.9Å; L397-I399 PolarHBondContact O-N 3.43Å; L397-E400 PolarHBondContact O-N 3.08Å; L397-M401 VanDerWaalsContact O-CG 3.24Å; L397-M401 WeakPolarHBondContact O-CG 2.99Å; L397-M401 PolarHBondContact O-N 2.73Å
398	I	94.9	Very high	93	Very high	10 Å²	10	24 Å²	24	5%	0.051	11%	0.112	C	C	.	.	H	α-helix	trans	-59	-48.5	177	-72.1	162.1	0	0	0	111.4	V383 I394 R395 R396 E400 M401 M402 I412	V383-I398 HydrophobicContact CB-CD1 3.72Å; V383-I398 HydrophobicContact CB-CG1 3.83Å; V383-I398 HydrophobicContact CG1-CD1 3.72Å; V383-I398 HydrophobicContact CG1-CG1 3.9Å; V383-I398 HydrophobicContact CG2-CD1 4.35Å; V383-I398 HydrophobicContact CG2-CG1 3.9Å; I394-I398 HydrophobicContact CG2-CD1 3.56Å; I394-I398 HydrophobicContact CG2-CG1 4.37Å; I394-I398 WeakPolarHBondContact O-CB 3.47Å; I394-I398 WeakPolarHBondContact O-CD1 3.46Å; I394-I398 WeakPolarHBondContact O-CG1 3.47Å; I394-I398 PolarHBondContact O-N 2.56Å; R395-I398 WeakPolarHBondContact O-CB 3.4Å; R395-I398 PolarHBondContact O-N 3.39Å; R396-I398 VanDerWaalsContact C-N 3.33Å; R396-I398 PolarHBondContact O-N 3.5Å; I398-E400 VanDerWaalsContact C-N 3.26Å; I398-E400 PolarHBondContact O-N 3.31Å; I398-M401 CarbonylContact O-C 3.54Å; I398-M401 PolarHBondContact O-N 3Å; I398-M401 VanDerWaalsContact O-N 3.17Å; I398-M402 HydrophobicContact CG2-CE 3.37Å; I398-M402 HydrophobicContact CG2-CG 4.33Å; I398-M402 HydrophobicContact CG2-SD 4.15Å; I398-M402 WeakPolarHBondContact O-CG 3.28Å; I398-M402 PolarHBondContact O-N 3.39Å; I398-I412 HydrophobicContact CG2-CG2 4.37Å
399	I	92.2	Very high	92.9	Very high	5 Å²	5	29.7 Å²	29.7	3%	0.026	14%	0.137	C	C	.	.	H	α-helix	trans	-61.7	-38.6	-178.5	-69.3	-65.5	0	0	0	111.1	R395 R396 L397 M402 R403 D430 F439	R395-I399 WeakPolarHBondContact O-CG1 3.39Å; R395-I399 PolarHBondContact O-N 3.49Å; R396-I399 PolarHBondContact O-N 3.29Å; L397-I399 PolarHBondContact O-N 3.43Å; I399-M402 HydrophobicContact CD1-SD 4.14Å; I399-M402 WeakPolarHBondContact O-CB 3.28Å; I399-M402 PolarHBondContact O-N 2.88Å; I399-R403 WeakPolarHBondContact O-CB 3.42Å; I399-R403 PolarHBondContact O-N 3.4Å; I399-D430 HydrophobicContact CD1-CB 3.65Å; I399-D430 HydrophobicContact CG1-CB 4.42Å; I399-F439 HydrophobicContact CG2-CZ 4.09Å
400	E	88.4	Confident	92.8	Very high	6 Å²	6	29.8 Å²	29.8	3%	0.028	14%	0.139	C	C	.	.	H	α-helix	trans	-68.4	-39.8	175.3	-76.6	-72	133.2	0	0	112.9	H323 L324 R396 L397 I398 M402 R403 L404	H323-E400 IonicContact ND1-OE1 3.8Å; L324-E400 HydrophobicContact CB-CG 4.3Å; L324-E400 HydrophobicContact CD1-CB 3.37Å; L324-E400 HydrophobicContact CD1-CG 3.47Å; L324-E400 VanDerWaalsContact CD1-CG 3.47Å; L324-E400 HydrophobicContact CG-CB 4.21Å; L324-E400 HydrophobicContact CG-CG 3.73Å; R396-E400 VanDerWaalsContact CZ-CG 3.5Å; R396-E400 IonicContact CZ-OE1 3.84Å; R396-E400 IonicContact NH2-OE1 3.27Å; R396-E400 PolarHBondContact NH2-OE1 2.9Å; R396-E400 PolarHBondContact O-N 3.07Å; R396-E400 VanDerWaalsContact O-N 3.17Å; L397-E400 PolarHBondContact O-N 3.08Å; I398-E400 VanDerWaalsContact C-N 3.26Å; I398-E400 PolarHBondContact O-N 3.31Å; E400-M402 VanDerWaalsContact C-N 3.32Å; E400-M402 PolarHBondContact O-N 3.48Å; E400-R403 WeakPolarHBondContact O-CB 3.31Å; E400-R403 PolarHBondContact O-N 2.88Å; E400-R403 IonicContact OE1-CZ 2.64Å; E400-R403 VanDerWaalsContact OE1-CZ 3.23Å; E400-R403 IonicContact OE1-NE 3.77Å; E400-R403 PolarHBondContact OE1-NE 3.19Å; E400-R403 IonicContact OE1-NH1 2.64Å; E400-R403 IonicContact OE1-NH2 2.98Å; E400-R403 PolarHBondContact OE1-NH2 3.46Å; E400-R403 IonicContact OE2-CZ 2.54Å; E400-R403 IonicContact OE2-NE 3.39Å; E400-R403 PolarHBondContact OE2-NE 3.34Å; E400-R403 IonicContact OE2-NH2 3.23Å; E400-R403 PolarHBondContact OE2-NH2 2.98Å; E400-L404 WeakPolarHBondContact O-CG 3.26Å; E400-L404 PolarHBondContact O-N 2.94Å
401	M	92.3	Very high	92.8	Very high	7 Å²	7	30 Å²	30	3%	0.034	14%	0.14	C	C	.	.	H	α-helix	trans	-64.5	-37.5	171.8	-64.5	-61.1	117.1	0	0	111.5	V367 L397 I398 L404 F405 I412	V367-M401 HydrophobicContact CG1-CG 3.66Å; V367-M401 HydrophobicContact CG1-SD 3.83Å; L397-M401 VanDerWaalsContact O-CG 3.24Å; L397-M401 WeakPolarHBondContact O-CG 2.99Å; L397-M401 PolarHBondContact O-N 2.73Å; I398-M401 CarbonylContact O-C 3.54Å; I398-M401 PolarHBondContact O-N 3Å; I398-M401 VanDerWaalsContact O-N 3.17Å; M401-L404 HydrophobicContact CE-CD1 4.09Å; M401-L404 PolarHBondContact O-N 2.91Å; M401-F405 HydrophobicContact CB-CD2 4.35Å; M401-F405 WeakPolarHBondContact O-CB 3.37Å; M401-F405 VanDerWaalsContact O-CD2 3.23Å; M401-F405 WeakPolarHBondContact O-CD2 3.36Å; M401-F405 PolarHBondContact O-N 3.33Å; M401-F405 HydrophobicContact SD-CD2 4.22Å; M401-F405 HydrophobicContact SD-CE2 3.78Å; M401-I412 HydrophobicContact CB-CG1 4.19Å; M401-I412 HydrophobicContact CB-CG2 4.23Å
402	M	95.2	Very high	92.8	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-63.5	-45	172.8	-69.2	179.7	-179.4	0	0	111	I398 I399 E400 L404 F405 N406 I412 G414 F439 F441 G442	I398-M402 HydrophobicContact CG2-CE 3.37Å; I398-M402 HydrophobicContact CG2-CG 4.33Å; I398-M402 HydrophobicContact CG2-SD 4.15Å; I398-M402 WeakPolarHBondContact O-CG 3.28Å; I398-M402 PolarHBondContact O-N 3.39Å; I399-M402 HydrophobicContact CD1-SD 4.14Å; I399-M402 WeakPolarHBondContact O-CB 3.28Å; I399-M402 PolarHBondContact O-N 2.88Å; E400-M402 VanDerWaalsContact C-N 3.32Å; E400-M402 PolarHBondContact O-N 3.48Å; M402-L404 VanDerWaalsContact C-N 3.25Å; M402-L404 PolarHBondContact O-N 3.31Å; M402-F405 PolarHBondContact O-N 2.98Å; M402-N406 HydrophobicContact CB-CB 4.33Å; M402-N406 WeakPolarHBondContact CG-ND2 3.32Å; M402-N406 WeakPolarHBondContact O-CA 3.3Å; M402-N406 WeakPolarHBondContact O-CB 3.47Å; M402-N406 PolarHBondContact O-N 3.21Å; M402-I412 WeakPolarHBondContact CE-O 3.45Å; M402-I412 HydrophobicContact CG-CB 4.06Å; M402-I412 HydrophobicContact CG-CG2 4.23Å; M402-G414 VanDerWaalsContact CE-N 3.28Å; M402-F439 HydrophobicContact CB-CD2 3.83Å; M402-F439 HydrophobicContact CB-CE2 3.77Å; M402-F439 HydrophobicContact SD-CE2 4.32Å; M402-F441 HydrophobicContact SD-CD2 4.42Å; M402-G442 WeakPolarHBondContact CE-O 3.48Å
403	R	89.5	Confident	93.1	Very high	56 Å²	56	29.4 Å²	29.4	21%	0.211	14%	0.137	C	C	.	.	H	α-helix	trans	-55.4	-43.5	176.1	-175.5	178	76	158.4	-1.9	111.1	H323 I399 E400 K407 E437 F439	H323-R403 PolarHBondContact CE1-NH1 3.09Å; H323-R403 PolarHBondContact ND1-NH1 3.16Å; H323-R403 VanDerWaalsContact ND1-NH1 3.15Å; I399-R403 WeakPolarHBondContact O-CB 3.42Å; I399-R403 PolarHBondContact O-N 3.4Å; E400-R403 WeakPolarHBondContact O-CB 3.31Å; E400-R403 PolarHBondContact O-N 2.88Å; E400-R403 IonicContact OE1-CZ 2.64Å; E400-R403 VanDerWaalsContact OE1-CZ 3.23Å; E400-R403 IonicContact OE1-NE 3.77Å; E400-R403 PolarHBondContact OE1-NE 3.19Å; E400-R403 IonicContact OE1-NH1 2.64Å; E400-R403 IonicContact OE1-NH2 2.98Å; E400-R403 PolarHBondContact OE1-NH2 3.46Å; E400-R403 IonicContact OE2-CZ 2.54Å; E400-R403 IonicContact OE2-NE 3.39Å; E400-R403 PolarHBondContact OE2-NE 3.34Å; E400-R403 IonicContact OE2-NH2 3.23Å; E400-R403 PolarHBondContact OE2-NH2 2.98Å; R403-K407 WeakPolarHBondContact O-CD 3.27Å; R403-K407 WeakPolarHBondContact O-CE 3.46Å; R403-K407 PolarHBondContact O-NZ 3.01Å; R403-E437 WeakPolarHBondContact CD-OE2 3.32Å; R403-E437 WeakPolarHBondContact CG-OE2 3.34Å; R403-F439 HydrophobicContact CB-CD1 4.23Å; R403-F439 HydrophobicContact CB-CE1 4.42Å; R403-F439 HydrophobicContact CG-CD1 4.44Å
404	L	89.6	Confident	93.4	Very high	82 Å²	82	29.5 Å²	29.5	43%	0.429	14%	0.138	S	C	.	.	H	α-helix	trans	-75.3	-45.2	-179.3	-66.6	172.8	0	0	0	113	E400 M401 M402	E400-L404 WeakPolarHBondContact O-CG 3.26Å; E400-L404 PolarHBondContact O-N 2.94Å; M401-L404 HydrophobicContact CE-CD1 4.09Å; M401-L404 PolarHBondContact O-N 2.91Å; M402-L404 VanDerWaalsContact C-N 3.25Å; M402-L404 PolarHBondContact O-N 3.31Å
405	F	94.4	Very high	93.5	Very high	19 Å²	19	30 Å²	30	8%	0.083	14%	0.141	C	C	.	.	H	α-helix	trans	-102.7	-29.6	-166.4	-65.1	-74.9	0	0	0	114.6	D368 A371 S372 K375 M401 M402 K407 I412	D368-F405 VanDerWaalsContact OD1-CZ 3.3Å; D368-F405 WeakPolarHBondContact OD1-CZ 3.42Å; A371-F405 HydrophobicContact CB-CD1 4.35Å; A371-F405 HydrophobicContact CB-CD2 3.51Å; A371-F405 HydrophobicContact CB-CE1 4.3Å; A371-F405 HydrophobicContact CB-CE2 3.46Å; A371-F405 VanDerWaalsContact CB-CE2 3.46Å; A371-F405 HydrophobicContact CB-CG 3.99Å; A371-F405 HydrophobicContact CB-CZ 3.88Å; S372-F405 WeakPolarHBondContact OG-CE1 3.27Å; S372-F405 VanDerWaalsContact OG-CZ 3.27Å; S372-F405 WeakPolarHBondContact OG-CZ 3.37Å; K375-F405 HydrophobicContact CB-CD1 4.49Å; K375-F405 HydrophobicContact CD-CD1 3.91Å; K375-F405 PolarHBondContact NZ-O 2.86Å; M401-F405 HydrophobicContact CB-CD2 4.35Å; M401-F405 WeakPolarHBondContact O-CB 3.37Å; M401-F405 VanDerWaalsContact O-CD2 3.23Å; M401-F405 WeakPolarHBondContact O-CD2 3.36Å; M401-F405 PolarHBondContact O-N 3.33Å; M401-F405 HydrophobicContact SD-CD2 4.22Å; M401-F405 HydrophobicContact SD-CE2 3.78Å; M402-F405 PolarHBondContact O-N 2.98Å; F405-K407 VanDerWaalsContact C-N 3.28Å; F405-K407 PolarHBondContact O-N 3.41Å; F405-K407 VanDerWaalsContact O-N 3.09Å; F405-I412 HydrophobicContact CB-CG1 4.13Å
406	N	96.1	Very high	93.7	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.135	C	C	.	.			trans	-87.9	54.1	-176.9	-64.1	6.4	0	0	0	112.4	M402 K409 V411 I412 Y440	M402-N406 HydrophobicContact CB-CB 4.33Å; M402-N406 WeakPolarHBondContact CG-ND2 3.32Å; M402-N406 WeakPolarHBondContact O-CA 3.3Å; M402-N406 WeakPolarHBondContact O-CB 3.47Å; M402-N406 PolarHBondContact O-N 3.21Å; N406-K409 VanDerWaalsContact CA-O 3.29Å; N406-K409 WeakPolarHBondContact CA-O 3.32Å; N406-V411 WeakPolarHBondContact OD1-CA 3.28Å; N406-V411 WeakPolarHBondContact OD1-CB 3.34Å; N406-V411 PolarHBondContact OD1-N 2.98Å; N406-I412 PolarHBondContact ND2-O 3.29Å; N406-I412 PolarHBondContact OD1-N 2.79Å; N406-Y440 WeakPolarHBondContact CB-O 2.86Å; N406-Y440 PolarHBondContact ND2-O 3.14Å; N406-Y440 WeakPolarHBondContact O-CB 3.39Å; N406-Y440 WeakPolarHBondContact O-CD2 3.38Å; N406-Y440 PolarHBondContact O-N 2.99Å
407	K	93.3	Very high	94.2	Very high	101 Å²	101	27.9 Å²	27.9	44%	0.439	13%	0.133	S	C	.	.	S	Bend	trans	-82.8	-41.5	-178.2	-62.7	-55.3	-161.1	-173.7	0	114	R403 F405 Y440	R403-K407 WeakPolarHBondContact O-CD 3.27Å; R403-K407 WeakPolarHBondContact O-CE 3.46Å; R403-K407 PolarHBondContact O-NZ 3.01Å; F405-K407 VanDerWaalsContact C-N 3.28Å; F405-K407 PolarHBondContact O-N 3.41Å; F405-K407 VanDerWaalsContact O-N 3.09Å; K407-Y440 WeakPolarHBondContact O-CD2 3.09Å; K407-Y440 WeakPolarHBondContact O-CE2 3.47Å
408	D	91.8	Very high	94.5	Very high	121 Å²	121	27.8 Å²	27.8	65%	0.647	13%	0.133	S	C	*	.	S	Bend	trans	-113.2	-20.8	-175.4	-46.7	-68.9	0	0	0	112.8	Y440	D408-Y440 VanDerWaalsContact O-CE1 3.3Å; D408-Y440 WeakPolarHBondContact O-CE1 3.4Å; D408-Y440 PolarHBondContact O-OH 3.04Å
409	K	92.1	Very high	94.6	Very high	119 Å²	119	27.3 Å²	27.3	52%	0.517	13%	0.13	S	C	.	.	S	Bend	trans	-159.9	160.7	179.1	62.2	-177.2	178.5	-177.9	0	109.7	N406 V411	N406-K409 VanDerWaalsContact CA-O 3.29Å; N406-K409 WeakPolarHBondContact CA-O 3.32Å; K409-V411 HydrophobicContact CG-CG2 4.16Å; K409-V411 PolarHBondContact O-N 3.35Å
410	A	93.9	Very high	94.9	Very high	9 Å²	9	27.3 Å²	27.3	7%	0.074	13%	0.131	C	C	.	.			trans	-70.3	115.4	172.1	0	0	0	0	0	110.5	F413	A410-F413 HydrophobicContact CB-CD2 4.49Å; A410-F413 HydrophobicContact CB-CE2 3.55Å; A410-F413 HydrophobicContact CB-CZ 3.58Å
411	V	94.8	Very high	95.3	Very high	4 Å²	4	31.4 Å²	31.4	2%	0.024	15%	0.148	C	C	.	.			trans	-106.3	-47.3	175.2	-179.7	0	0	0	0	109.9	K375 R380 V381 N406 K409	K375-V411 HydrophobicContact CB-CG1 4.25Å; R380-V411 CarbonylContact C-O 3.54Å; R380-V411 VanDerWaalsContact CA-O 3.28Å; R380-V411 WeakPolarHBondContact CA-O 3.48Å; R380-V411 WeakPolarHBondContact CB-O 3.39Å; V381-V411 PolarHBondContact N-O 3.34Å; N406-V411 WeakPolarHBondContact OD1-CA 3.28Å; N406-V411 WeakPolarHBondContact OD1-CB 3.34Å; N406-V411 PolarHBondContact OD1-N 2.98Å; K409-V411 HydrophobicContact CG-CG2 4.16Å; K409-V411 PolarHBondContact O-N 3.35Å
412	I	97.5	Very high	95.4	Very high	4 Å²	4	33.4 Å²	33.4	2%	0.021	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	132.9	178.4	-51.2	-55.5	0	0	0	109.5	A371 V381 V383 I398 M401 M402 F405 N406	A371-I412 HydrophobicContact CB-CD1 3.74Å; V381-I412 HydrophobicContact CB-CD1 3.81Å; V381-I412 HydrophobicContact CG2-CD1 4.16Å; V381-I412 WeakPolarHBondContact O-CA 3.12Å; V383-I412 HydrophobicContact CG2-CG2 4.32Å; I398-I412 HydrophobicContact CG2-CG2 4.37Å; M401-I412 HydrophobicContact CB-CG1 4.19Å; M401-I412 HydrophobicContact CB-CG2 4.23Å; M402-I412 WeakPolarHBondContact CE-O 3.45Å; M402-I412 HydrophobicContact CG-CB 4.06Å; M402-I412 HydrophobicContact CG-CG2 4.23Å; F405-I412 HydrophobicContact CB-CG1 4.13Å; N406-I412 PolarHBondContact ND2-O 3.29Å; N406-I412 PolarHBondContact OD1-N 2.79Å
413	F	98	Very high	95.5	Very high	6 Å²	6	33.6 Å²	33.6	3%	0.026	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	125.8	178.4	-76.3	-113.7	0	0	0	110	F235 R380 V381 M382 V383 A410 G442 S498	F235-F413 HydrophobicContact CD1-CD2 4.49Å; F235-F413 HydrophobicContact CE1-CB 4.44Å; F235-F413 HydrophobicContact CE1-CD1 4.14Å; F235-F413 AromaticContact CE1-CD2 3.54Å; F235-F413 HydrophobicContact CE1-CD2 3.54Å; F235-F413 HydrophobicContact CE1-CE1 4.28Å; F235-F413 AromaticContact CE1-CE2 3.69Å; F235-F413 HydrophobicContact CE1-CE2 3.69Å; F235-F413 AromaticContact CE1-CG 3.79Å; F235-F413 HydrophobicContact CE1-CG 3.79Å; F235-F413 HydrophobicContact CE1-CZ 4.06Å; F235-F413 HydrophobicContact CZ-CD1 4.42Å; F235-F413 HydrophobicContact CZ-CD2 4.31Å; F235-F413 HydrophobicContact CZ-CE1 4.19Å; F235-F413 HydrophobicContact CZ-CE2 4.06Å; F235-F413 HydrophobicContact CZ-CG 4.49Å; F235-F413 HydrophobicContact CZ-CZ 4Å; R380-F413 HydrophobicContact CB-CE2 4.43Å; R380-F413 HydrophobicContact CG-CE2 4.24Å; V381-F413 PolarHBondContact O-N 3.35Å; M382-F413 HydrophobicContact CE-CB 4.49Å; V383-F413 PolarHBondContact N-O 2.86Å; A410-F413 HydrophobicContact CB-CD2 4.49Å; A410-F413 HydrophobicContact CB-CE2 3.55Å; A410-F413 HydrophobicContact CB-CZ 3.58Å; F413-G442 WeakPolarHBondContact CA-O 3.35Å; F413-S498 WeakPolarHBondContact CE1-O 3.25Å
414	G	97.8	Very high	96	Very high	2 Å²	2	33.2 Å²	33.2	2%	0.021	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	143	174.6	0	0	0	0	0	112.3	M402 G442 A443 K444	M402-G414 VanDerWaalsContact CE-N 3.28Å; G414-G442 PolarHBondContact N-O 3.37Å; G414-A443 CarbonylContact O-C 3.55Å; G414-A443 WeakPolarHBondContact O-CA 3.48Å; G414-K444 PolarHBondContact O-N 2.95Å
415	T	98.2	Very high	96.2	Very high	11 Å²	11	34.5 Å²	34.5	7%	0.067	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	125.4	176.9	-59.2	0	0	0	0	111	V383 A385 K444 V446	V383-T415 WeakPolarHBondContact O-CB 3.5Å; V383-T415 PolarHBondContact O-N 2.8Å; V383-T415 PolarHBondContact O-OG1 2.83Å; A385-T415 HydrophobicContact CB-CG2 3.59Å; T415-K444 CarbonylContact C-O 3.52Å; T415-K444 VanDerWaalsContact CA-O 3.3Å; T415-K444 WeakPolarHBondContact CA-O 3.5Å; T415-K444 HydrophobicContact CG2-CD 3.85Å; T415-K444 VanDerWaalsContact OG1-CD 3.26Å; T415-K444 WeakPolarHBondContact OG1-CD 3.46Å; T415-V446 HydrophobicContact CG2-CB 4.5Å; T415-V446 HydrophobicContact CG2-CG1 4.08Å; T415-V446 HydrophobicContact CG2-CG2 3.6Å
416	Y	98.4	Very high	96.1	Very high	13 Å²	13	34 Å²	34	5%	0.051	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	130.1	176.2	-63.9	-101.3	0	0	0	110.1	L427 D430 F441 A443 K444 L445 V446	Y416-L427 HydrophobicContact CD1-CB 3.94Å; Y416-L427 HydrophobicContact CD1-CD1 3.98Å; Y416-L427 HydrophobicContact CD2-CD1 4.14Å; Y416-L427 HydrophobicContact CE1-CB 4.04Å; Y416-L427 HydrophobicContact CE1-CD1 3.85Å; Y416-L427 HydrophobicContact CE2-CD1 4.02Å; Y416-L427 HydrophobicContact CG-CD1 4.12Å; Y416-D430 WeakPolarHBondContact OH-CB 3.23Å; Y416-D430 PolarHBondContact OH-OD2 3.25Å; Y416-F441 AromaticContact CE2-CZ 3.89Å; Y416-F441 HydrophobicContact CE2-CZ 3.89Å; Y416-F441 AromaticContact CZ-CZ 3.81Å; Y416-F441 WeakPolarHBondContact OH-CE2 3.16Å; Y416-F441 VanDerWaalsContact OH-CZ 3.32Å; Y416-F441 WeakPolarHBondContact OH-CZ 3.2Å; Y416-A443 HydrophobicContact CD2-CB 3.77Å; Y416-A443 HydrophobicContact CE2-CB 3.65Å; Y416-K444 PolarHBondContact N-O 2.88Å; Y416-L445 HydrophobicContact CD2-CD2 4.34Å; Y416-L445 HydrophobicContact CG-CD2 4.27Å; Y416-V446 WeakPolarHBondContact O-CG2 3.32Å; Y416-V446 PolarHBondContact O-N 2.88Å
417	Q	97.7	Very high	96.2	Very high	8 Å²	8	34 Å²	34	4%	0.037	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	94.9	-170.8	-86.3	177.6	-41.8	0	0	110.5	A385 E386 Y419 L420 A423 V446	A385-Q417 HydrophobicContact CB-CG 3.67Å; E386-Q417 PolarHBondContact O-NE2 3.14Å; E386-Q417 PolarHBondContact O-OE1 2.93Å; Q417-Y419 HydrophobicContact CB-CD1 3.69Å; Q417-Y419 HydrophobicContact CB-CE1 3.46Å; Q417-Y419 VanDerWaalsContact CB-CE1 3.46Å; Q417-Y419 HydrophobicContact CG-CD1 4.27Å; Q417-Y419 HydrophobicContact CG-CE1 3.65Å; Q417-Y419 PolarHBondContact NE2-OH 3.36Å; Q417-Y419 PolarHBondContact O-N 3.27Å; Q417-Y419 VanDerWaalsContact O-N 3.13Å; Q417-L420 HydrophobicContact CB-CD1 3.77Å; Q417-L420 HydrophobicContact CB-CG 4.03Å; Q417-L420 WeakPolarHBondContact O-CB 3.33Å; Q417-L420 PolarHBondContact O-N 3.23Å; Q417-A423 WeakPolarHBondContact O-CB 3.47Å; Q417-V446 HydrophobicContact CG-CG2 3.94Å
418	C	98.1	Very high	96.2	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-6.3	-171.1	-61.3	0	0	0	0	115.3	L420 V446 R447 M477 Y478	C418-L420 VanDerWaalsContact C-N 3.25Å; C418-V446 WeakPolarHBondContact CB-O 3.44Å; C418-V446 PolarHBondContact N-O 3.48Å; C418-R447 PolarHBondContact N-O 3.3Å; C418-M477 HydrophobicContact CB-CG 4.43Å; C418-M477 WeakPolarHBondContact O-CB 3.35Å; C418-M477 WeakPolarHBondContact O-CG 3.23Å; C418-Y478 HydrophobicContact CB-CD2 3.65Å; C418-Y478 HydrophobicContact CB-CG 4.11Å; C418-Y478 VanDerWaalsContact SG-CD2 3.59Å
419	Y	96.9	Very high	96.2	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-14	167	76.5	-60.2	0	0	0	113.6	Q417 R447 Y450 M451 E454 I467 C468	Q417-Y419 HydrophobicContact CB-CD1 3.69Å; Q417-Y419 HydrophobicContact CB-CE1 3.46Å; Q417-Y419 VanDerWaalsContact CB-CE1 3.46Å; Q417-Y419 HydrophobicContact CG-CD1 4.27Å; Q417-Y419 HydrophobicContact CG-CE1 3.65Å; Q417-Y419 PolarHBondContact NE2-OH 3.36Å; Q417-Y419 PolarHBondContact O-N 3.27Å; Q417-Y419 VanDerWaalsContact O-N 3.13Å; Y419-R447 WeakPolarHBondContact CB-O 3.37Å; Y419-R447 WeakPolarHBondContact CD1-O 3.26Å; Y419-R447 PolarHBondContact N-O 3.35Å; Y419-Y450 WeakPolarHBondContact OH-CB 3.44Å; Y419-M451 HydrophobicContact CD2-CB 4.22Å; Y419-M451 HydrophobicContact CD2-CG 3.13Å; Y419-M451 HydrophobicContact CD2-SD 4.22Å; Y419-M451 HydrophobicContact CE2-CB 4.27Å; Y419-M451 HydrophobicContact CE2-CG 3.55Å; Y419-M451 HydrophobicContact CG-CG 3.96Å; Y419-E454 WeakPolarHBondContact CE2-OE2 3.32Å; Y419-E454 PolarHBondContact OH-OE2 2.83Å; Y419-I467 HydrophobicContact CD2-CB 4.47Å; Y419-I467 HydrophobicContact CD2-CD1 3.42Å; Y419-I467 VanDerWaalsContact CD2-CD1 3.42Å; Y419-I467 HydrophobicContact CD2-CG1 4.13Å; Y419-I467 HydrophobicContact CD2-CG2 3.74Å; Y419-I467 HydrophobicContact CE2-CD1 3.26Å; Y419-I467 HydrophobicContact CE2-CG1 4.2Å; Y419-I467 HydrophobicContact CG-CD1 4.49Å; Y419-I467 CarbonylContact O-C 3.45Å; Y419-I467 WeakPolarHBondContact O-CA 3.35Å; Y419-I467 WeakPolarHBondContact O-CG2 3.11Å; Y419-C468 PolarHBondContact O-N 2.96Å; Y419-C468 PolarHBondContact O-SG 2.84Å
420	L	98	Very high	96.3	Very high	6 Å²	6	21.7 Å²	21.7	3%	0.031	11%	0.108	C	C	.	.	B	Isolated β-bridge	trans	-81.6	137.5	175.5	-59.4	175.4	0	0	0	110.2	Q391 Q417 C418 E422 A423 P466 I467	Q391-L420 HydrophobicContact CG-CD1 4.48Å; Q417-L420 HydrophobicContact CB-CD1 3.77Å; Q417-L420 HydrophobicContact CB-CG 4.03Å; Q417-L420 WeakPolarHBondContact O-CB 3.33Å; Q417-L420 PolarHBondContact O-N 3.23Å; C418-L420 VanDerWaalsContact C-N 3.25Å; L420-E422 HydrophobicContact CB-CG 4.1Å; L420-E422 PolarHBondContact O-N 3.36Å; L420-A423 VanDerWaalsContact O-CB 3.28Å; L420-A423 WeakPolarHBondContact O-CB 3.49Å; L420-A423 PolarHBondContact O-N 2.91Å; L420-A423 VanDerWaalsContact O-N 3.16Å; L420-P466 WeakPolarHBondContact CA-O 3.28Å; L420-P466 HydrophobicContact CD2-CB 4.43Å; L420-I467 HydrophobicContact CD2-CD1 3.55Å
421	K	97.5	Very high	96.3	Very high	91 Å²	91	21.6 Å²	21.6	40%	0.396	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-29	175.4	-70.3	172.4	174.4	171.2	0	112.9	E464 D465 P466 I467 M477	K421-E464 IonicContact NZ-OE1 3.3Å; K421-E464 PolarHBondContact NZ-OE1 2.79Å; K421-D465 VanDerWaalsContact CE-O 3.26Å; K421-D465 WeakPolarHBondContact CE-O 3.35Å; K421-D465 PolarHBondContact NZ-O 3.3Å; K421-P466 PolarHBondContact N-O 2.96Å; K421-I467 WeakPolarHBondContact CE-O 3.03Å; K421-M477 VanDerWaalsContact O-CE 3.28Å; K421-M477 WeakPolarHBondContact O-CE 3.3Å
422	E	95.1	Very high	96.1	Very high	50 Å²	50	25.9 Å²	25.9	23%	0.234	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	0.3	-179	63.9	177.1	-166.7	0	0	114.4	L420 L424 E425 S426	L420-E422 HydrophobicContact CB-CG 4.1Å; L420-E422 PolarHBondContact O-N 3.36Å; E422-L424 PolarHBondContact O-N 2.75Å; E422-E425 PolarHBondContact O-N 3.49Å; E422-S426 WeakPolarHBondContact O-CB 3.48Å; E422-S426 PolarHBondContact O-N 3.03Å; E422-S426 PolarHBondContact O-OG 3.43Å
423	A	97.8	Very high	95.6	Very high	4 Å²	4	26.5 Å²	26.5	3%	0.033	13%	0.132	C	C	.	.	H	α-helix	trans	-60.2	-44.9	-171.4	0	0	0	0	0	112.8	Q417 L420 L427 M477	Q417-A423 WeakPolarHBondContact O-CB 3.47Å; L420-A423 VanDerWaalsContact O-CB 3.28Å; L420-A423 WeakPolarHBondContact O-CB 3.49Å; L420-A423 PolarHBondContact O-N 2.91Å; L420-A423 VanDerWaalsContact O-N 3.16Å; A423-L427 WeakPolarHBondContact O-CB 3.39Å; A423-L427 PolarHBondContact O-N 2.93Å; A423-M477 HydrophobicContact CB-CG 4.03Å; A423-M477 HydrophobicContact CB-SD 4.22Å
424	L	98.2	Very high	95.4	Very high	48 Å²	48	26.2 Å²	26.2	25%	0.251	13%	0.131	S	C	.	.	H	α-helix	trans	-65.3	-49.1	177.6	-179.5	64	0	0	0	111.6	E422 S426 L427 T428 M477 L480 E484	E422-L424 PolarHBondContact O-N 2.75Å; L424-S426 VanDerWaalsContact C-N 3.33Å; L424-S426 PolarHBondContact O-N 3.32Å; L424-L427 PolarHBondContact O-N 3.48Å; L424-T428 WeakPolarHBondContact O-CB 3.32Å; L424-T428 PolarHBondContact O-N 2.85Å; L424-T428 PolarHBondContact O-OG1 3.14Å; L424-T428 VanDerWaalsContact O-OG1 3.08Å; L424-M477 HydrophobicContact CB-SD 3.59Å; L424-M477 VanDerWaalsContact CB-SD 3.59Å; L424-L480 HydrophobicContact CD1-CB 4.19Å; L424-L480 HydrophobicContact CD2-CB 4.07Å; L424-L480 HydrophobicContact CD2-CD1 4.24Å; L424-E484 HydrophobicContact CD1-CB 4.44Å; L424-E484 HydrophobicContact CD1-CG 3.72Å
425	E	94.3	Very high	95.1	Very high	109 Å²	109	28.3 Å²	28.3	51%	0.509	15%	0.148	S	C	.	.	H	α-helix	trans	-56.9	-48.7	179.1	-175.1	-170.8	152.7	0	0	110.9	K260 E422 T428 Q429	K260-E425 IonicContact NZ-OE1 2.71Å; K260-E425 PolarHBondContact NZ-OE1 3.33Å; E422-E425 PolarHBondContact O-N 3.49Å; E425-T428 PolarHBondContact O-N 2.93Å; E425-Q429 VanDerWaalsContact O-CB 3.3Å; E425-Q429 WeakPolarHBondContact O-CB 3.45Å; E425-Q429 PolarHBondContact O-N 3.27Å
426	S	93.1	Very high	94.6	Very high	9 Å²	9	32.3 Å²	32.3	6%	0.063	17%	0.173	C	C	.	.	H	α-helix	trans	-63.3	-44.7	-179.4	-61.4	0	0	0	0	111.8	E422 L424 Q429 D430	E422-S426 WeakPolarHBondContact O-CB 3.48Å; E422-S426 PolarHBondContact O-N 3.03Å; E422-S426 PolarHBondContact O-OG 3.43Å; L424-S426 VanDerWaalsContact C-N 3.33Å; L424-S426 PolarHBondContact O-N 3.32Å; S426-Q429 PolarHBondContact O-N 3.29Å; S426-D430 WeakPolarHBondContact O-CB 3.42Å; S426-D430 PolarHBondContact O-N 3.43Å
427	L	97.1	Very high	94.1	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-64.3	-46.4	178.9	179	64.5	0	0	0	112	Y416 A423 L424 D430 L431 F441 L445 C481 V485	Y416-L427 HydrophobicContact CD1-CB 3.94Å; Y416-L427 HydrophobicContact CD1-CD1 3.98Å; Y416-L427 HydrophobicContact CD2-CD1 4.14Å; Y416-L427 HydrophobicContact CE1-CB 4.04Å; Y416-L427 HydrophobicContact CE1-CD1 3.85Å; Y416-L427 HydrophobicContact CE2-CD1 4.02Å; Y416-L427 HydrophobicContact CG-CD1 4.12Å; A423-L427 WeakPolarHBondContact O-CB 3.39Å; A423-L427 PolarHBondContact O-N 2.93Å; L424-L427 PolarHBondContact O-N 3.48Å; L427-D430 PolarHBondContact O-N 3.43Å; L427-L431 HydrophobicContact CD1-CD1 4.34Å; L427-L431 HydrophobicContact CD1-CG 4.37Å; L427-L431 HydrophobicContact CG-CD1 4.04Å; L427-L431 HydrophobicContact CG-CG 4.5Å; L427-L431 WeakPolarHBondContact O-CB 3.48Å; L427-L431 VanDerWaalsContact O-CG 3.29Å; L427-L431 WeakPolarHBondContact O-CG 3.39Å; L427-L431 PolarHBondContact O-N 3.4Å; L427-F441 HydrophobicContact CD1-CE1 3.99Å; L427-F441 HydrophobicContact CD1-CZ 3.7Å; L427-L445 HydrophobicContact CD2-CD2 4.2Å; L427-C481 HydrophobicContact CD2-CB 3.47Å; L427-C481 VanDerWaalsContact CD2-CB 3.47Å; L427-C481 WeakPolarHBondContact CD2-O 3.09Å; L427-V485 HydrophobicContact CD1-CG2 4.49Å; L427-V485 HydrophobicContact CD2-CG2 4.06Å
428	T	95.1	Very high	93.8	Very high	38 Å²	38	38.9 Å²	38.9	23%	0.233	21%	0.207	C	C	.	.	H	α-helix	trans	-64	-42.2	178.7	-62.5	0	0	0	0	111	L424 E425 D430 L431 N432	L424-T428 WeakPolarHBondContact O-CB 3.32Å; L424-T428 PolarHBondContact O-N 2.85Å; L424-T428 PolarHBondContact O-OG1 3.14Å; L424-T428 VanDerWaalsContact O-OG1 3.08Å; E425-T428 PolarHBondContact O-N 2.93Å; T428-D430 VanDerWaalsContact C-N 3.35Å; T428-D430 PolarHBondContact O-N 3.39Å; T428-L431 PolarHBondContact O-N 3.43Å; T428-N432 WeakPolarHBondContact O-CB 2.73Å; T428-N432 PolarHBondContact O-N 2.87Å; T428-N432 PolarHBondContact O-ND2 3.4Å
429	Q	90	Very high	93.6	Very high	41 Å²	41	38.9 Å²	38.9	19%	0.192	21%	0.207	C	C	.	.	H	α-helix	trans	-57.5	-49.2	174.8	-178.7	175.5	10.4	0	0	111	E425 S426 N432 H433	E425-Q429 VanDerWaalsContact O-CB 3.3Å; E425-Q429 WeakPolarHBondContact O-CB 3.45Å; E425-Q429 PolarHBondContact O-N 3.27Å; S426-Q429 PolarHBondContact O-N 3.29Å; Q429-N432 WeakPolarHBondContact O-CB 3.35Å; Q429-N432 PolarHBondContact O-N 3.46Å; Q429-H433 WeakPolarHBondContact CG-NE2 3.34Å; Q429-H433 PolarHBondContact NE2-CE1 3.49Å; Q429-H433 PolarHBondContact NE2-NE2 3.09Å; Q429-H433 PolarHBondContact O-CD2 2.92Å; Q429-H433 PolarHBondContact O-N 3.48Å
430	D	94.1	Very high	93.6	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.011	22%	0.217	C	C	.	.	H	α-helix	trans	-71.1	-33.4	-176.5	-69.1	-14.5	0	0	0	112.7	R395 I399 Y416 S426 L427 T428 N432 H433 A434 F441	R395-D430 WeakPolarHBondContact CD-OD2 3.35Å; R395-D430 WeakPolarHBondContact CG-OD2 3.38Å; R395-D430 IonicContact NE-OD2 3.49Å; R395-D430 IonicContact NH1-OD1 3.58Å; R395-D430 PolarHBondContact NH1-OD1 2.99Å; R395-D430 IonicContact NH1-OD2 2.85Å; R395-D430 PolarHBondContact NH1-OD2 3.4Å; I399-D430 HydrophobicContact CD1-CB 3.65Å; I399-D430 HydrophobicContact CG1-CB 4.42Å; Y416-D430 WeakPolarHBondContact OH-CB 3.23Å; Y416-D430 PolarHBondContact OH-OD2 3.25Å; S426-D430 WeakPolarHBondContact O-CB 3.42Å; S426-D430 PolarHBondContact O-N 3.43Å; L427-D430 PolarHBondContact O-N 3.43Å; T428-D430 VanDerWaalsContact C-N 3.35Å; T428-D430 PolarHBondContact O-N 3.39Å; D430-N432 VanDerWaalsContact C-N 3.33Å; D430-H433 PolarHBondContact O-N 2.94Å; D430-A434 WeakPolarHBondContact O-CB 3.37Å; D430-A434 PolarHBondContact O-N 2.8Å; D430-F441 HydrophobicContact CB-CE2 3.91Å
431	L	94.9	Very high	93.6	Very high	8 Å²	8	41 Å²	41	4%	0.042	22%	0.215	C	C	.	.	H	α-helix	trans	-61.4	-41.7	169.9	-78.2	170	0	0	0	111.6	L427 T428 A434 A435 F441 E484 V485 A488 V497	L427-L431 HydrophobicContact CD1-CD1 4.34Å; L427-L431 HydrophobicContact CD1-CG 4.37Å; L427-L431 HydrophobicContact CG-CD1 4.04Å; L427-L431 HydrophobicContact CG-CG 4.5Å; L427-L431 WeakPolarHBondContact O-CB 3.48Å; L427-L431 VanDerWaalsContact O-CG 3.29Å; L427-L431 WeakPolarHBondContact O-CG 3.39Å; L427-L431 PolarHBondContact O-N 3.4Å; T428-L431 PolarHBondContact O-N 3.43Å; L431-A434 PolarHBondContact O-N 3.49Å; L431-A435 PolarHBondContact O-N 3.26Å; L431-F441 HydrophobicContact CD2-CD1 3.48Å; L431-F441 VanDerWaalsContact CD2-CD1 3.48Å; L431-F441 HydrophobicContact CD2-CD2 4.33Å; L431-F441 HydrophobicContact CD2-CE1 3.55Å; L431-F441 HydrophobicContact CD2-CE2 4.41Å; L431-F441 HydrophobicContact CD2-CG 3.87Å; L431-F441 HydrophobicContact CD2-CZ 4.04Å; L431-F441 HydrophobicContact CG-CD1 4.47Å; L431-F441 HydrophobicContact CG-CE1 4.12Å; L431-F441 HydrophobicContact CG-CZ 4.17Å; L431-E484 HydrophobicContact CD1-CB 4.39Å; L431-V485 HydrophobicContact CD1-CG2 4.42Å; L431-A488 HydrophobicContact CD1-CB 4.13Å; L431-A488 HydrophobicContact CD2-CB 3.83Å; L431-A488 HydrophobicContact CG-CB 4.45Å; L431-V497 HydrophobicContact CD2-CG1 4.26Å
432	N	90.5	Very high	93.6	Very high	93 Å²	93	36.7 Å²	36.7	50%	0.497	20%	0.196	S	C	.	.	H	α-helix	trans	-67.2	-44.9	176.7	-69.8	-24.5	0	0	0	111.2	T428 Q429 D430 A434 A435 T436	T428-N432 WeakPolarHBondContact O-CB 2.73Å; T428-N432 PolarHBondContact O-N 2.87Å; T428-N432 PolarHBondContact O-ND2 3.4Å; Q429-N432 WeakPolarHBondContact O-CB 3.35Å; Q429-N432 PolarHBondContact O-N 3.46Å; D430-N432 VanDerWaalsContact C-N 3.33Å; N432-A434 VanDerWaalsContact C-N 3.29Å; N432-A434 PolarHBondContact O-N 3.13Å; N432-A435 WeakPolarHBondContact O-CB 3.2Å; N432-A435 PolarHBondContact O-N 3.01Å; N432-T436 PolarHBondContact O-N 3.03Å; N432-T436 PolarHBondContact O-OG1 2.88Å
433	H	87.4	Confident	93.8	Very high	17 Å²	17	34.3 Å²	34.3	8%	0.079	19%	0.185	C	C	.	.	H	α-helix	trans	-57	-45	175.3	-70	-166	0	0	0	111.1	L319 Q429 D430 A435 T436 E437	L319-H433 WeakPolarHBondContact CD2-CD2 3.29Å; L319-H433 WeakPolarHBondContact CD2-NE2 3.39Å; Q429-H433 WeakPolarHBondContact CG-NE2 3.34Å; Q429-H433 PolarHBondContact NE2-CE1 3.49Å; Q429-H433 PolarHBondContact NE2-NE2 3.09Å; Q429-H433 PolarHBondContact O-CD2 2.92Å; Q429-H433 PolarHBondContact O-N 3.48Å; D430-H433 PolarHBondContact O-N 2.94Å; H433-A435 VanDerWaalsContact C-N 3.26Å; H433-A435 PolarHBondContact O-N 3.28Å; H433-T436 PolarHBondContact O-N 3.49Å; H433-E437 PolarHBondContact O-N 3.14Å
434	A	92.8	Very high	93.8	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-63.3	-31.3	176.8	0	0	0	0	0	113.5	D430 L431 N432 N438 F439 F441 R492	D430-A434 WeakPolarHBondContact O-CB 3.37Å; D430-A434 PolarHBondContact O-N 2.8Å; L431-A434 PolarHBondContact O-N 3.49Å; N432-A434 VanDerWaalsContact C-N 3.29Å; N432-A434 PolarHBondContact O-N 3.13Å; A434-N438 WeakPolarHBondContact O-CA 3.19Å; A434-N438 PolarHBondContact O-N 3.28Å; A434-N438 VanDerWaalsContact O-N 3.12Å; A434-F439 HydrophobicContact CB-CD2 3.8Å; A434-F439 HydrophobicContact CB-CE1 4.22Å; A434-F439 HydrophobicContact CB-CE2 3.32Å; A434-F439 HydrophobicContact CB-CG 4.42Å; A434-F439 HydrophobicContact CB-CZ 3.56Å; A434-F439 PolarHBondContact O-N 3.48Å; A434-F439 VanDerWaalsContact O-N 3.16Å; A434-F441 HydrophobicContact CB-CB 3.91Å; A434-F441 HydrophobicContact CB-CD2 3.92Å; A434-F441 HydrophobicContact CB-CG 4.34Å; A434-R492 VanDerWaalsContact C-NH1 3.32Å; A434-R492 PolarHBondContact O-NH1 2.88Å; A434-R492 PolarHBondContact O-NH2 3.41Å
435	A	92.6	Very high	93.8	Very high	47 Å²	47	32.7 Å²	32.7	39%	0.388	18%	0.175	S	C	.	.	H	α-helix	trans	-73.6	-48.4	175.3	0	0	0	0	0	111.5	L431 N432 H433 N438	L431-A435 PolarHBondContact O-N 3.26Å; N432-A435 WeakPolarHBondContact O-CB 3.2Å; N432-A435 PolarHBondContact O-N 3.01Å; H433-A435 VanDerWaalsContact C-N 3.26Å; H433-A435 PolarHBondContact O-N 3.28Å; A435-N438 PolarHBondContact O-N 2.95Å
436	T	87.7	Confident	93.9	Very high	94 Å²	94	28.7 Å²	28.7	58%	0.577	16%	0.158	S	C	*	.	H	α-helix	trans	-61.2	-47.9	-179.7	-58.2	0	0	0	0	111.8	L319 N432 H433 N438	L319-T436 HydrophobicContact CD1-CG2 4.17Å; N432-T436 PolarHBondContact O-N 3.03Å; N432-T436 PolarHBondContact O-OG1 2.88Å; H433-T436 PolarHBondContact O-N 3.49Å; T436-N438 VanDerWaalsContact C-N 3.31Å
437	E	86.7	Confident	93.9	Very high	58 Å²	58	30.9 Å²	30.9	27%	0.271	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	3	-179.8	-63.9	-168.6	-161.6	0	0	113.7	H323 R403 H433 F439	H323-E437 IonicContact CE1-OE1 3.76Å; R403-E437 WeakPolarHBondContact CD-OE2 3.32Å; R403-E437 WeakPolarHBondContact CG-OE2 3.34Å; H433-E437 PolarHBondContact O-N 3.14Å; E437-F439 VanDerWaalsContact C-N 3.33Å; E437-F439 HydrophobicContact CB-CD1 3.79Å; E437-F439 HydrophobicContact CB-CE1 3.99Å; E437-F439 PolarHBondContact O-N 2.91Å
438	N	92.3	Very high	93.7	Very high	101 Å²	101	32.1 Å²	32.1	54%	0.54	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	40.9	174.5	-170	42.1	0	0	0	115.1	A434 A435 T436 Q496	A434-N438 WeakPolarHBondContact O-CA 3.19Å; A434-N438 PolarHBondContact O-N 3.28Å; A434-N438 VanDerWaalsContact O-N 3.12Å; A435-N438 PolarHBondContact O-N 2.95Å; T436-N438 VanDerWaalsContact C-N 3.31Å; N438-Q496 PolarHBondContact OD1-NE2 3.31Å
439	F	94.5	Very high	93.4	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-98.9	158.7	168.1	63.5	-100.2	0	0	0	111.6	I399 M402 R403 A434 E437 F441 R492	I399-F439 HydrophobicContact CG2-CZ 4.09Å; M402-F439 HydrophobicContact CB-CD2 3.83Å; M402-F439 HydrophobicContact CB-CE2 3.77Å; M402-F439 HydrophobicContact SD-CE2 4.32Å; R403-F439 HydrophobicContact CB-CD1 4.23Å; R403-F439 HydrophobicContact CB-CE1 4.42Å; R403-F439 HydrophobicContact CG-CD1 4.44Å; A434-F439 HydrophobicContact CB-CD2 3.8Å; A434-F439 HydrophobicContact CB-CE1 4.22Å; A434-F439 HydrophobicContact CB-CE2 3.32Å; A434-F439 HydrophobicContact CB-CG 4.42Å; A434-F439 HydrophobicContact CB-CZ 3.56Å; A434-F439 PolarHBondContact O-N 3.48Å; A434-F439 VanDerWaalsContact O-N 3.16Å; E437-F439 VanDerWaalsContact C-N 3.33Å; E437-F439 HydrophobicContact CB-CD1 3.79Å; E437-F439 HydrophobicContact CB-CE1 3.99Å; E437-F439 PolarHBondContact O-N 2.91Å; F439-F441 PolarHBondContact O-N 3.41Å; F439-R492 PolarHBondContact O-NH1 3.04Å; F439-R492 PolarHBondContact O-NH2 3.37Å
440	Y	97	Very high	93.4	Very high	52 Å²	52	29.5 Å²	29.5	20%	0.204	17%	0.167	C	C	.	.	P	Polyproline II helix	trans	-77.5	119.7	-179.4	-73.1	-118	0	0	0	109.8	N406 K407 D408 G495 Q496	N406-Y440 WeakPolarHBondContact CB-O 2.86Å; N406-Y440 PolarHBondContact ND2-O 3.14Å; N406-Y440 WeakPolarHBondContact O-CB 3.39Å; N406-Y440 WeakPolarHBondContact O-CD2 3.38Å; N406-Y440 PolarHBondContact O-N 2.99Å; K407-Y440 WeakPolarHBondContact O-CD2 3.09Å; K407-Y440 WeakPolarHBondContact O-CE2 3.47Å; D408-Y440 VanDerWaalsContact O-CE1 3.3Å; D408-Y440 WeakPolarHBondContact O-CE1 3.4Å; D408-Y440 PolarHBondContact O-OH 3.04Å; Y440-G495 WeakPolarHBondContact CD1-O 3.29Å; Y440-Q496 CarbonylContact C-O 3.5Å; Y440-Q496 WeakPolarHBondContact CA-O 3.35Å; Y440-Q496 HydrophobicContact CD1-CB 4.49Å; Y440-Q496 HydrophobicContact CD1-CG 4.4Å; Y440-Q496 HydrophobicContact CE1-CG 4.07Å; Y440-Q496 HydrophobicContact CE2-CG 4.43Å
441	F	97.8	Very high	93.2	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	131.6	-177.5	-174.8	-99.4	0	0	0	111.3	M402 Y416 L427 D430 L431 A434 F439 A443 Q496 V497 S498	M402-F441 HydrophobicContact SD-CD2 4.42Å; Y416-F441 AromaticContact CE2-CZ 3.89Å; Y416-F441 HydrophobicContact CE2-CZ 3.89Å; Y416-F441 AromaticContact CZ-CZ 3.81Å; Y416-F441 WeakPolarHBondContact OH-CE2 3.16Å; Y416-F441 VanDerWaalsContact OH-CZ 3.32Å; Y416-F441 WeakPolarHBondContact OH-CZ 3.2Å; L427-F441 HydrophobicContact CD1-CE1 3.99Å; L427-F441 HydrophobicContact CD1-CZ 3.7Å; D430-F441 HydrophobicContact CB-CE2 3.91Å; L431-F441 HydrophobicContact CD2-CD1 3.48Å; L431-F441 VanDerWaalsContact CD2-CD1 3.48Å; L431-F441 HydrophobicContact CD2-CD2 4.33Å; L431-F441 HydrophobicContact CD2-CE1 3.55Å; L431-F441 HydrophobicContact CD2-CE2 4.41Å; L431-F441 HydrophobicContact CD2-CG 3.87Å; L431-F441 HydrophobicContact CD2-CZ 4.04Å; L431-F441 HydrophobicContact CG-CD1 4.47Å; L431-F441 HydrophobicContact CG-CE1 4.12Å; L431-F441 HydrophobicContact CG-CZ 4.17Å; A434-F441 HydrophobicContact CB-CB 3.91Å; A434-F441 HydrophobicContact CB-CD2 3.92Å; A434-F441 HydrophobicContact CB-CG 4.34Å; F439-F441 PolarHBondContact O-N 3.41Å; F441-A443 HydrophobicContact CD1-CB 4.31Å; F441-A443 HydrophobicContact CE1-CB 3.46Å; F441-A443 VanDerWaalsContact CE1-CB 3.46Å; F441-A443 HydrophobicContact CZ-CB 3.93Å; F441-Q496 PolarHBondContact N-O 3Å; F441-V497 HydrophobicContact CB-CG2 4.38Å; F441-V497 HydrophobicContact CD1-CG1 4.14Å; F441-S498 PolarHBondContact O-N 3.3Å
442	G	97.3	Very high	92.9	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	119	177	0	0	0	0	0	111.5	M402 F413 G414 S498	M402-G442 WeakPolarHBondContact CE-O 3.48Å; F413-G442 WeakPolarHBondContact CA-O 3.35Å; G414-G442 PolarHBondContact N-O 3.37Å; G442-S498 CarbonylContact C-O 3.56Å; G442-S498 VanDerWaalsContact CA-O 3.32Å; G442-S498 WeakPolarHBondContact CA-O 3.43Å
443	A	98.2	Very high	93	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	152.2	177.6	0	0	0	0	0	113.6	G414 Y416 F441 S498 V499 M500	G414-A443 CarbonylContact O-C 3.55Å; G414-A443 WeakPolarHBondContact O-CA 3.48Å; Y416-A443 HydrophobicContact CD2-CB 3.77Å; Y416-A443 HydrophobicContact CE2-CB 3.65Å; F441-A443 HydrophobicContact CD1-CB 4.31Å; F441-A443 HydrophobicContact CE1-CB 3.46Å; F441-A443 VanDerWaalsContact CE1-CB 3.46Å; F441-A443 HydrophobicContact CZ-CB 3.93Å; A443-S498 PolarHBondContact N-O 2.74Å; A443-V499 HydrophobicContact CB-CG1 4.32Å; A443-V499 HydrophobicContact CB-CG2 4.08Å; A443-V499 CarbonylContact O-C 3.59Å; A443-V499 VanDerWaalsContact O-CA 3.31Å; A443-V499 WeakPolarHBondContact O-CA 3.23Å; A443-M500 PolarHBondContact O-N 3.42Å
444	K	98.1	Very high	93.3	Very high	17 Å²	17	32.4 Å²	32.4	7%	0.074	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	109.3	166.8	-179.5	-151.7	-163.6	163.7	0	107.3	M382 D384 G414 T415 Y416 V446 M500 A502	M382-K444 HydrophobicContact CE-CB 4.19Å; M382-K444 HydrophobicContact CE-CD 4.39Å; M382-K444 HydrophobicContact CE-CG 4.23Å; M382-K444 HydrophobicContact CG-CD 4Å; M382-K444 HydrophobicContact SD-CB 4.21Å; M382-K444 HydrophobicContact SD-CD 3.4Å; M382-K444 WeakPolarHBondContact SD-CD 3.28Å; M382-K444 VanDerWaalsContact SD-CE 3.51Å; M382-K444 HydrophobicContact SD-CG 3.89Å; D384-K444 IonicContact OD1-NZ 2.84Å; D384-K444 PolarHBondContact OD1-NZ 3.04Å; G414-K444 PolarHBondContact O-N 2.95Å; T415-K444 CarbonylContact C-O 3.52Å; T415-K444 VanDerWaalsContact CA-O 3.3Å; T415-K444 WeakPolarHBondContact CA-O 3.5Å; T415-K444 HydrophobicContact CG2-CD 3.85Å; T415-K444 VanDerWaalsContact OG1-CD 3.26Å; T415-K444 WeakPolarHBondContact OG1-CD 3.46Å; Y416-K444 PolarHBondContact N-O 2.88Å; K444-V446 HydrophobicContact CD-CG1 3.95Å; K444-V446 HydrophobicContact CG-CG1 4.15Å; K444-M500 CarbonylContact C-O 3.51Å; K444-M500 WeakPolarHBondContact CA-O 3.37Å; K444-M500 HydrophobicContact CB-CB 4.43Å; K444-M500 HydrophobicContact CG-CB 4.4Å; K444-M500 HydrophobicContact CG-CG 4.47Å; K444-M500 HydrophobicContact CG-SD 4.35Å; K444-A502 HydrophobicContact CG-CB 4Å
445	L	98.3	Very high	93.4	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	128.4	175	-57.8	-173.2	0	0	0	109.1	Y416 L427 Y478 C481 L482 V499 M500 A502	Y416-L445 HydrophobicContact CD2-CD2 4.34Å; Y416-L445 HydrophobicContact CG-CD2 4.27Å; L427-L445 HydrophobicContact CD2-CD2 4.2Å; L445-Y478 HydrophobicContact CB-CE1 4.29Å; L445-Y478 HydrophobicContact CB-CE2 4.04Å; L445-Y478 WeakPolarHBondContact CB-OH 3.32Å; L445-Y478 HydrophobicContact CD1-CE1 4.41Å; L445-Y478 PolarHBondContact O-OH 3.17Å; L445-C481 HydrophobicContact CD1-CB 4.29Å; L445-L482 HydrophobicContact CD1-CD2 3.71Å; L445-L482 HydrophobicContact CD1-CG 4.09Å; L445-V499 HydrophobicContact CD1-CG1 4.22Å; L445-V499 HydrophobicContact CG-CG1 3.94Å; L445-M500 PolarHBondContact N-O 3.36Å; L445-A502 WeakPolarHBondContact O-CA 3.34Å; L445-A502 WeakPolarHBondContact O-CB 3.23Å; L445-A502 PolarHBondContact O-N 3.28Å
446	V	96.5	Very high	93.5	Very high	25 Å²	25	35.6 Å²	35.6	15%	0.152	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	159.5	174.7	-62.7	0	0	0	0	109.4	T415 Y416 Q417 C418 K444 A502	T415-V446 HydrophobicContact CG2-CB 4.5Å; T415-V446 HydrophobicContact CG2-CG1 4.08Å; T415-V446 HydrophobicContact CG2-CG2 3.6Å; Y416-V446 WeakPolarHBondContact O-CG2 3.32Å; Y416-V446 PolarHBondContact O-N 2.88Å; Q417-V446 HydrophobicContact CG-CG2 3.94Å; C418-V446 WeakPolarHBondContact CB-O 3.44Å; C418-V446 PolarHBondContact N-O 3.48Å; K444-V446 HydrophobicContact CD-CG1 3.95Å; K444-V446 HydrophobicContact CG-CG1 4.15Å; V446-A502 HydrophobicContact CG1-CB 3.77Å
447	R	93.7	Very high	93.8	Very high	56 Å²	56	31.2 Å²	31.2	21%	0.211	16%	0.164	C	C	.	.			trans	-67.3	-56.2	169.3	-76.6	-174.9	175.7	155.9	-4.6	111.5	C418 Y419 F471 T474 Y478 N505 T508	C418-R447 PolarHBondContact N-O 3.3Å; Y419-R447 WeakPolarHBondContact CB-O 3.37Å; Y419-R447 WeakPolarHBondContact CD1-O 3.26Å; Y419-R447 PolarHBondContact N-O 3.35Å; R447-F471 VanDerWaalsContact NH1-CE2 3.32Å; R447-T474 HydrophobicContact CB-CG2 4.4Å; R447-T474 HydrophobicContact CG-CG2 4.24Å; R447-Y478 HydrophobicContact CG-CD2 4.23Å; R447-N505 VanDerWaalsContact NH2-CB 3.29Å; R447-N505 PolarHBondContact NH2-ND2 3.49Å; R447-T508 PolarHBondContact NH2-OG1 2.65Å
448	G	91.6	Very high	94.3	Very high	25 Å²	25	28.6 Å²	28.6	26%	0.258	15%	0.152	S	C	.	.			trans	152.2	169.5	-174.8	0	0	0	0	0	112.3
449	A	88.9	Confident	94.4	Very high	24 Å²	24	32.6 Å²	32.6	20%	0.198	16%	0.164	C	C	.	.	S	Bend	trans	-141.5	-15.7	179.6	0	0	0	0	0	114.3	A201	A201-A449 HydrophobicContact CB-CB 3.76Å
450	Y	90.2	Very high	94.4	Very high	1 Å²	1	37.2 Å²	37.2	0%	0.004	19%	0.186	C	C	.	.			trans	-111.1	10.5	-170.8	-52.2	-87.4	0	0	0	113.8	V198 A201 K239 A385 E386 Q387 Y419 D452 Q453 E454	V198-Y450 HydrophobicContact CB-CD1 4.31Å; V198-Y450 HydrophobicContact CG1-CD1 3.52Å; V198-Y450 HydrophobicContact CG1-CE1 3.6Å; V198-Y450 HydrophobicContact CG2-CD1 3.76Å; V198-Y450 HydrophobicContact CG2-CE1 4.3Å; A201-Y450 HydrophobicContact CB-CE1 3.76Å; A201-Y450 HydrophobicContact CB-CE2 4Å; A201-Y450 WeakPolarHBondContact CB-OH 3.29Å; K239-Y450 PolarHBondContact NZ-OH 3.16Å; A385-Y450 PolarHBondContact O-OH 2.87Å; E386-Y450 WeakPolarHBondContact O-CD2 3.39Å; E386-Y450 WeakPolarHBondContact O-CE2 3.49Å; Q387-Y450 HydrophobicContact CG-CD1 3.81Å; Q387-Y450 HydrophobicContact CG-CE1 4.23Å; Q387-Y450 HydrophobicContact CG-CG 4.08Å; Y419-Y450 WeakPolarHBondContact OH-CB 3.44Å; Y450-D452 PolarHBondContact O-N 3.37Å; Y450-Q453 PolarHBondContact O-N 2.9Å; Y450-E454 VanDerWaalsContact O-CG 3.28Å; Y450-E454 WeakPolarHBondContact O-CG 3.47Å; Y450-E454 PolarHBondContact O-N 3.19Å
451	M	89.9	Confident	94.2	Very high	73 Å²	73	36.7 Å²	36.7	36%	0.36	19%	0.186	S	C	.	.	H	α-helix	trans	-40.4	-61.1	-175.1	-75.1	172.6	-66.7	0	0	114.3	Y419 Q453 E454 R455 I467	Y419-M451 HydrophobicContact CD2-CB 4.22Å; Y419-M451 HydrophobicContact CD2-CG 3.13Å; Y419-M451 HydrophobicContact CD2-SD 4.22Å; Y419-M451 HydrophobicContact CE2-CB 4.27Å; Y419-M451 HydrophobicContact CE2-CG 3.55Å; Y419-M451 HydrophobicContact CG-CG 3.96Å; M451-Q453 PolarHBondContact O-N 2.98Å; M451-E454 PolarHBondContact O-N 3.06Å; M451-R455 WeakPolarHBondContact O-CG 3.17Å; M451-R455 PolarHBondContact O-N 3.14Å; M451-I467 HydrophobicContact CG-CG2 4.27Å
452	D	89.3	Confident	94	Very high	101 Å²	101	39.4 Å²	39.4	54%	0.54	21%	0.214	S	C	.	.	H	α-helix	trans	-64.4	-45.4	-171.8	-62.5	-29.3	0	0	0	112.2	Y450 E454 A456	Y450-D452 PolarHBondContact O-N 3.37Å; D452-E454 VanDerWaalsContact C-N 3.3Å; D452-E454 PolarHBondContact O-N 2.72Å; D452-A456 WeakPolarHBondContact O-CB 3.1Å; D452-A456 PolarHBondContact O-N 3.04Å
453	Q	91.5	Very high	93.8	Very high	6 Å²	6	40.7 Å²	40.7	3%	0.028	22%	0.22	C	C	.	.	H	α-helix	trans	-59.9	-41	176.5	-179.9	-179.5	67.7	0	0	111.3	R194 K196 V198 Y450 M451 R457	R194-Q453 PolarHBondContact O-NE2 2.74Å; R194-Q453 VanDerWaalsContact O-NE2 3.12Å; K196-Q453 PolarHBondContact O-NE2 2.86Å; V198-Q453 HydrophobicContact CG2-CB 4.2Å; V198-Q453 VanDerWaalsContact CG2-CD 3.49Å; V198-Q453 HydrophobicContact CG2-CG 4.45Å; V198-Q453 VanDerWaalsContact CG2-OE1 3.28Å; Y450-Q453 PolarHBondContact O-N 2.9Å; M451-Q453 PolarHBondContact O-N 2.98Å; Q453-R457 VanDerWaalsContact O-CB 3.25Å; Q453-R457 WeakPolarHBondContact O-CB 3.39Å; Q453-R457 PolarHBondContact O-N 3.39Å
454	E	94.1	Very high	93.7	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.005	25%	0.252	C	S	.	.	H	α-helix	trans	-74.2	-38.3	-176.2	-69.1	-172.8	119	0	0	113.3	S388 Y419 Y450 M451 D452 R457 A458 I467	S388-E454 WeakPolarHBondContact CA-OE1 3.32Å; S388-E454 WeakPolarHBondContact CB-OE1 3.28Å; S388-E454 PolarHBondContact N-OE1 3.04Å; S388-E454 PolarHBondContact OG-OE1 2.84Å; Y419-E454 WeakPolarHBondContact CE2-OE2 3.32Å; Y419-E454 PolarHBondContact OH-OE2 2.83Å; Y450-E454 VanDerWaalsContact O-CG 3.28Å; Y450-E454 WeakPolarHBondContact O-CG 3.47Å; Y450-E454 PolarHBondContact O-N 3.19Å; M451-E454 PolarHBondContact O-N 3.06Å; D452-E454 VanDerWaalsContact C-N 3.3Å; D452-E454 PolarHBondContact O-N 2.72Å; E454-R457 PolarHBondContact O-N 3.1Å; E454-A458 WeakPolarHBondContact O-CB 3.32Å; E454-A458 PolarHBondContact O-N 3.2Å; E454-I467 HydrophobicContact CB-CD1 4.08Å; E454-I467 HydrophobicContact CB-CG1 4.25Å
455	R	95.1	Very high	93.6	Very high	78 Å²	78	48.7 Å²	48.7	29%	0.294	26%	0.258	S	S	.	.	H	α-helix	trans	-63.2	-45.1	171.2	-65.3	-160.9	-167.5	-93.5	8.9	111.6	M451 R457 A458 K459 D465 I467 C468 S469	M451-R455 WeakPolarHBondContact O-CG 3.17Å; M451-R455 PolarHBondContact O-N 3.14Å; R455-R457 VanDerWaalsContact C-N 3.26Å; R455-R457 PolarHBondContact O-N 2.73Å; R455-A458 PolarHBondContact O-N 3Å; R455-K459 WeakPolarHBondContact O-CB 3.38Å; R455-K459 PolarHBondContact O-N 3.23Å; R455-D465 WeakPolarHBondContact CD-OD2 3.46Å; R455-D465 VanDerWaalsContact CG-OD2 3.31Å; R455-D465 WeakPolarHBondContact CG-OD2 3.36Å; R455-D465 IonicContact CZ-OD2 3.04Å; R455-D465 IonicContact NE-OD2 2.72Å; R455-D465 IonicContact NH1-OD1 2.98Å; R455-D465 IonicContact NH1-OD2 2.9Å; R455-D465 PolarHBondContact NH1-OD2 3.3Å; R455-I467 HydrophobicContact CG-CB 4.28Å; R455-I467 HydrophobicContact CG-CG1 3.99Å; R455-C468 PolarHBondContact NH1-O 3.46Å; R455-C468 PolarHBondContact NH2-O 3.32Å; R455-S469 PolarHBondContact NH2-O 2.83Å
456	A	94.1	Very high	93.5	Very high	35 Å²	35	49.3 Å²	49.3	29%	0.289	26%	0.262	S	S	.	.	H	α-helix	trans	-59.4	-41.6	176.5	0	0	0	0	0	111	D452 E460	D452-A456 WeakPolarHBondContact O-CB 3.1Å; D452-A456 PolarHBondContact O-N 3.04Å; A456-E460 VanDerWaalsContact O-CB 3.3Å; A456-E460 WeakPolarHBondContact O-CB 3.19Å; A456-E460 PolarHBondContact O-N 3.47Å
457	R	95.1	Very high	93.5	Very high	3 Å²	3	48.2 Å²	48.2	1%	0.011	26%	0.255	C	S	.	.	H	α-helix	trans	-65.4	-44.2	176.9	-170.6	178.2	158.6	47.6	7.6	113.8	Q184 Q186 F191 Q453 E454 R455 E460 L461 Y463	Q184-R457 PolarHBondContact O-NH2 2.93Å; Q186-R457 PolarHBondContact O-NH2 3.48Å; F191-R457 HydrophobicContact CD1-CB 3.92Å; F191-R457 HydrophobicContact CD1-CG 3.99Å; F191-R457 HydrophobicContact CD2-CB 4.49Å; F191-R457 HydrophobicContact CD2-CG 3.85Å; F191-R457 HydrophobicContact CE1-CB 3.64Å; F191-R457 HydrophobicContact CE1-CG 4.04Å; F191-R457 HydrophobicContact CE2-CB 4.24Å; F191-R457 HydrophobicContact CE2-CG 3.9Å; F191-R457 HydrophobicContact CG-CB 4.35Å; F191-R457 HydrophobicContact CG-CG 3.9Å; F191-R457 HydrophobicContact CZ-CB 3.84Å; F191-R457 HydrophobicContact CZ-CG 4.02Å; Q453-R457 VanDerWaalsContact O-CB 3.25Å; Q453-R457 WeakPolarHBondContact O-CB 3.39Å; Q453-R457 PolarHBondContact O-N 3.39Å; E454-R457 PolarHBondContact O-N 3.1Å; R455-R457 VanDerWaalsContact C-N 3.26Å; R455-R457 PolarHBondContact O-N 2.73Å; R457-E460 PolarHBondContact O-N 3.28Å; R457-L461 VanDerWaalsContact CZ-CD1 3.45Å; R457-L461 WeakPolarHBondContact O-CB 3.03Å; R457-L461 PolarHBondContact O-N 3.47Å; R457-Y463 HydrophobicContact CG-CE1 4.27Å; R457-Y463 VanDerWaalsContact CG-OH 3.27Å; R457-Y463 WeakPolarHBondContact CG-OH 3.47Å
458	A	96.1	Very high	93.7	Very high	2 Å²	2	45.9 Å²	45.9	2%	0.017	25%	0.248	C	C	.	.	H	α-helix	trans	-61	-46.2	177.1	0	0	0	0	0	111.8	E454 R455 E460 G462 Y463 D465	E454-A458 WeakPolarHBondContact O-CB 3.32Å; E454-A458 PolarHBondContact O-N 3.2Å; R455-A458 PolarHBondContact O-N 3Å; A458-E460 PolarHBondContact O-N 3.39Å; A458-G462 WeakPolarHBondContact O-CA 3.37Å; A458-G462 PolarHBondContact O-N 2.9Å; A458-Y463 HydrophobicContact CB-CD2 3.9Å; A458-Y463 HydrophobicContact CB-CE1 4.43Å; A458-Y463 HydrophobicContact CB-CE2 3.48Å; A458-Y463 VanDerWaalsContact CB-CE2 3.48Å; A458-Y463 PolarHBondContact N-OH 3.44Å; A458-Y463 PolarHBondContact O-N 3.12Å; A458-Y463 VanDerWaalsContact O-N 3.15Å; A458-D465 HydrophobicContact CB-CB 4.39Å
459	K	95.9	Very high	93.9	Very high	186 Å²	186	48.9 Å²	48.9	81%	0.809	27%	0.265	S	S	*	.	H	α-helix	trans	-59.9	-47.1	176	-176.8	179.2	178.1	-179.2	0	112	R455	R455-K459 WeakPolarHBondContact O-CB 3.38Å; R455-K459 PolarHBondContact O-N 3.23Å
460	E	93.9	Very high	94.1	Very high	96 Å²	96	51.4 Å²	51.4	45%	0.449	28%	0.275	S	S	.	.	H	α-helix	trans	-68.6	-40.5	-175.8	-176.6	64.3	-168.9	0	0	112.8	R190 F191 A456 R457 A458	R190-E460 IonicContact CZ-OE1 2.83Å; R190-E460 IonicContact NH1-OE1 2.73Å; R190-E460 PolarHBondContact NH1-OE1 3.06Å; F191-E460 HydrophobicContact CE2-CB 3.88Å; F191-E460 HydrophobicContact CE2-CG 3.77Å; F191-E460 HydrophobicContact CZ-CB 3.77Å; F191-E460 HydrophobicContact CZ-CG 3.98Å; A456-E460 VanDerWaalsContact O-CB 3.3Å; A456-E460 WeakPolarHBondContact O-CB 3.19Å; A456-E460 PolarHBondContact O-N 3.47Å; R457-E460 PolarHBondContact O-N 3.28Å; A458-E460 PolarHBondContact O-N 3.39Å
461	L	92.8	Very high	94.2	Very high	41 Å²	41	56.8 Å²	56.8	22%	0.215	30%	0.299	C	S	.	.	H	α-helix	trans	-88.6	-8.5	-179.7	-68.3	-155.8	0	0	0	114.1	K183 R457 Y463	K183-L461 WeakPolarHBondContact CD-O 3.36Å; R457-L461 VanDerWaalsContact CZ-CD1 3.45Å; R457-L461 WeakPolarHBondContact O-CB 3.03Å; R457-L461 PolarHBondContact O-N 3.47Å; L461-Y463 HydrophobicContact CB-CD1 3.59Å; L461-Y463 HydrophobicContact CB-CE1 3.67Å; L461-Y463 HydrophobicContact CD1-CD1 4.46Å; L461-Y463 HydrophobicContact CD1-CE1 4.06Å; L461-Y463 HydrophobicContact CG-CE1 4.21Å
462	G	93.3	Very high	94.5	Very high	57 Å²	57	58.8 Å²	58.8	59%	0.588	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.6	46.5	179	0	0	0	0	0	113.3	A458	A458-G462 WeakPolarHBondContact O-CA 3.37Å; A458-G462 PolarHBondContact O-N 2.9Å
463	Y	94.2	Very high	94.9	Very high	28 Å²	28	55.3 Å²	55.3	11%	0.11	30%	0.296	C	S	.	.			trans	-119	164	166.5	63.9	-94.9	0	0	0	110.5	K183 Q184 R457 A458 L461 D465 P466	K183-Y463 HydrophobicContact CB-CD1 4.16Å; Q184-Y463 HydrophobicContact CB-CD1 4.23Å; Q184-Y463 HydrophobicContact CB-CD2 3.61Å; Q184-Y463 HydrophobicContact CB-CE1 4.31Å; Q184-Y463 HydrophobicContact CB-CE2 3.72Å; Q184-Y463 HydrophobicContact CB-CG 3.9Å; Q184-Y463 HydrophobicContact CG-CD2 3.92Å; Q184-Y463 HydrophobicContact CG-CE2 3.55Å; R457-Y463 HydrophobicContact CG-CE1 4.27Å; R457-Y463 VanDerWaalsContact CG-OH 3.27Å; R457-Y463 WeakPolarHBondContact CG-OH 3.47Å; A458-Y463 HydrophobicContact CB-CD2 3.9Å; A458-Y463 HydrophobicContact CB-CE1 4.43Å; A458-Y463 HydrophobicContact CB-CE2 3.48Å; A458-Y463 VanDerWaalsContact CB-CE2 3.48Å; A458-Y463 PolarHBondContact N-OH 3.44Å; A458-Y463 PolarHBondContact O-N 3.12Å; A458-Y463 VanDerWaalsContact O-N 3.15Å; L461-Y463 HydrophobicContact CB-CD1 3.59Å; L461-Y463 HydrophobicContact CB-CE1 3.67Å; L461-Y463 HydrophobicContact CD1-CD1 4.46Å; L461-Y463 HydrophobicContact CD1-CE1 4.06Å; L461-Y463 HydrophobicContact CG-CE1 4.21Å; Y463-D465 PolarHBondContact O-N 3.1Å; Y463-P466 HydrophobicContact CE2-CG 4.47Å
464	E	94.5	Very high	95.2	Very high	144 Å²	144	55.5 Å²	55.5	67%	0.673	30%	0.298	S	S	*	.			trans	-60.5	133.5	-179.3	-170.3	-174.9	161.3	0	0	111.2	K421 P466	K421-E464 IonicContact NZ-OE1 3.3Å; K421-E464 PolarHBondContact NZ-OE1 2.79Å; E464-P466 VanDerWaalsContact O-CD 3.27Å; E464-P466 WeakPolarHBondContact O-CD 3.42Å; E464-P466 VanDerWaalsContact O-N 3.11Å
465	D	96.5	Very high	95.3	Very high	41 Å²	41	56.7 Å²	56.7	22%	0.219	31%	0.305	C	S	.	.			trans	-57	115.5	173.9	-172.7	-12.1	0	0	0	110.3	K421 R455 A458 Y463 I467	K421-D465 VanDerWaalsContact CE-O 3.26Å; K421-D465 WeakPolarHBondContact CE-O 3.35Å; K421-D465 PolarHBondContact NZ-O 3.3Å; R455-D465 WeakPolarHBondContact CD-OD2 3.46Å; R455-D465 VanDerWaalsContact CG-OD2 3.31Å; R455-D465 WeakPolarHBondContact CG-OD2 3.36Å; R455-D465 IonicContact CZ-OD2 3.04Å; R455-D465 IonicContact NE-OD2 2.72Å; R455-D465 IonicContact NH1-OD1 2.98Å; R455-D465 IonicContact NH1-OD2 2.9Å; R455-D465 PolarHBondContact NH1-OD2 3.3Å; A458-D465 HydrophobicContact CB-CB 4.39Å; Y463-D465 PolarHBondContact O-N 3.1Å; D465-I467 PolarHBondContact O-N 2.95Å; D465-I467 VanDerWaalsContact OD1-CB 3.25Å; D465-I467 WeakPolarHBondContact OD1-CB 3.28Å; D465-I467 VanDerWaalsContact OD1-CG1 3.31Å; D465-I467 WeakPolarHBondContact OD1-CG1 3.21Å; D465-I467 PolarHBondContact OD1-N 3.01Å
466	P	96.5	Very high	95.4	Very high	12 Å²	12	56.5 Å²	56.5	8%	0.078	31%	0.313	C	S	.	.			trans	-74	-6.9	-177.8	29.2	-31.5	0	0	0	112.4	L420 K421 Y463 E464	L420-P466 WeakPolarHBondContact CA-O 3.28Å; L420-P466 HydrophobicContact CD2-CB 4.43Å; K421-P466 PolarHBondContact N-O 2.96Å; Y463-P466 HydrophobicContact CE2-CG 4.47Å; E464-P466 VanDerWaalsContact O-CD 3.27Å; E464-P466 WeakPolarHBondContact O-CD 3.42Å; E464-P466 VanDerWaalsContact O-N 3.11Å
467	I	96.9	Very high	95.6	Very high	2 Å²	2	56.2 Å²	56.2	1%	0.01	31%	0.306	C	S	.	.	B	Isolated β-bridge	trans	-91.7	141.6	-174	-48.4	-43	0	0	0	110.9	Y419 L420 K421 M451 E454 R455 D465	Y419-I467 HydrophobicContact CD2-CB 4.47Å; Y419-I467 HydrophobicContact CD2-CD1 3.42Å; Y419-I467 VanDerWaalsContact CD2-CD1 3.42Å; Y419-I467 HydrophobicContact CD2-CG1 4.13Å; Y419-I467 HydrophobicContact CD2-CG2 3.74Å; Y419-I467 HydrophobicContact CE2-CD1 3.26Å; Y419-I467 HydrophobicContact CE2-CG1 4.2Å; Y419-I467 HydrophobicContact CG-CD1 4.49Å; Y419-I467 CarbonylContact O-C 3.45Å; Y419-I467 WeakPolarHBondContact O-CA 3.35Å; Y419-I467 WeakPolarHBondContact O-CG2 3.11Å; L420-I467 HydrophobicContact CD2-CD1 3.55Å; K421-I467 WeakPolarHBondContact CE-O 3.03Å; M451-I467 HydrophobicContact CG-CG2 4.27Å; E454-I467 HydrophobicContact CB-CD1 4.08Å; E454-I467 HydrophobicContact CB-CG1 4.25Å; R455-I467 HydrophobicContact CG-CB 4.28Å; R455-I467 HydrophobicContact CG-CG1 3.99Å; D465-I467 PolarHBondContact O-N 2.95Å; D465-I467 VanDerWaalsContact OD1-CB 3.25Å; D465-I467 WeakPolarHBondContact OD1-CB 3.28Å; D465-I467 VanDerWaalsContact OD1-CG1 3.31Å; D465-I467 WeakPolarHBondContact OD1-CG1 3.21Å; D465-I467 PolarHBondContact OD1-N 3.01Å
468	C	97.6	Very high	95.8	Very high	8 Å²	8	56.1 Å²	56.1	5%	0.054	31%	0.305	C	S	.	.			trans	-49.8	153.2	169	-64	0	0	0	0	111.4	Y419 R455 D470 A473 T474	Y419-C468 PolarHBondContact O-N 2.96Å; Y419-C468 PolarHBondContact O-SG 2.84Å; R455-C468 PolarHBondContact NH1-O 3.46Å; R455-C468 PolarHBondContact NH2-O 3.32Å; C468-D470 VanDerWaalsContact C-N 3.35Å; C468-D470 PolarHBondContact O-N 3.43Å; C468-A473 HydrophobicContact CB-CB 3.93Å; C468-T474 WeakPolarHBondContact CB-OG1 3.33Å
469	S	95.7	Very high	95.9	Very high	87 Å²	87	58.9 Å²	58.9	61%	0.608	32%	0.318	S	S	*	.	S	Bend	trans	-58.2	-43.8	-175.4	52.2	0	0	0	0	113.5	R455 A473	R455-S469 PolarHBondContact NH2-O 2.83Å; S469-A473 WeakPolarHBondContact OG-CB 3.49Å
470	D	94	Very high	96	Very high	77 Å²	77	54 Å²	54	41%	0.412	30%	0.3	S	S	.	.	S	Bend	trans	-155.5	-178.7	-170.9	57.6	65.2	0	0	0	111.7	C468 N472 A473 T474	C468-D470 VanDerWaalsContact C-N 3.35Å; C468-D470 PolarHBondContact O-N 3.43Å; D470-N472 VanDerWaalsContact C-N 3.33Å; D470-N472 PolarHBondContact O-N 2.74Å; D470-N472 WeakPolarHBondContact OD1-CA 3.46Å; D470-N472 WeakPolarHBondContact OD1-CB 3.05Å; D470-N472 PolarHBondContact OD1-N 3.35Å; D470-A473 PolarHBondContact O-N 3.36Å; D470-A473 PolarHBondContact OD1-N 3.42Å; D470-T474 PolarHBondContact O-N 3.18Å; D470-T474 PolarHBondContact O-OG1 3.31Å
471	F	91.6	Very high	96.3	Very high	115 Å²	115	49.4 Å²	49.4	50%	0.504	28%	0.279	S	S	.	.	H	α-helix	trans	-60.5	-37.2	-179.3	179.4	-90	0	0	0	113.8	R447 T474 T475	R447-F471 VanDerWaalsContact NH1-CE2 3.32Å; F471-T474 PolarHBondContact O-N 3.18Å; F471-T475 WeakPolarHBondContact O-CB 3.3Å; F471-T475 PolarHBondContact O-N 3.31Å; F471-T475 PolarHBondContact O-OG1 3Å
472	N	95.8	Very high	96.5	Very high	114 Å²	114	47.5 Å²	47.5	61%	0.61	27%	0.269	S	S	*	.	H	α-helix	trans	-71	-43	179.9	-70.2	-17.8	0	0	0	109.8	D470 T474 T475 T476	D470-N472 VanDerWaalsContact C-N 3.33Å; D470-N472 PolarHBondContact O-N 2.74Å; D470-N472 WeakPolarHBondContact OD1-CA 3.46Å; D470-N472 WeakPolarHBondContact OD1-CB 3.05Å; D470-N472 PolarHBondContact OD1-N 3.35Å; N472-T474 VanDerWaalsContact C-N 3.34Å; N472-T474 PolarHBondContact O-N 3.38Å; N472-T475 CarbonylContact O-C 2.99Å; N472-T475 WeakPolarHBondContact O-CA 3.45Å; N472-T475 WeakPolarHBondContact O-CB 3.3Å; N472-T475 PolarHBondContact O-N 3.08Å; N472-T476 PolarHBondContact O-N 3.15Å; N472-T476 PolarHBondContact O-OG1 2.92Å
473	A	97.8	Very high	96.7	Very high	29 Å²	29	46.8 Å²	46.8	24%	0.24	25%	0.25	C	S	.	.	H	α-helix	trans	-59.3	-42.2	174.1	0	0	0	0	0	112.3	C468 S469 D470 T475 T476 M477	C468-A473 HydrophobicContact CB-CB 3.93Å; S469-A473 WeakPolarHBondContact OG-CB 3.49Å; D470-A473 PolarHBondContact O-N 3.36Å; D470-A473 PolarHBondContact OD1-N 3.42Å; A473-T475 VanDerWaalsContact C-N 3.3Å; A473-T475 PolarHBondContact O-N 3.25Å; A473-T476 PolarHBondContact O-N 3.03Å; A473-M477 WeakPolarHBondContact O-CB 3.36Å; A473-M477 PolarHBondContact O-N 3.49Å
474	T	96.9	Very high	96.9	Very high	10 Å²	10	47.9 Å²	47.9	6%	0.061	26%	0.256	C	S	.	.	H	α-helix	trans	-63	-36.5	172.1	-63.7	0	0	0	0	112.3	R447 C468 D470 F471 N472 M477 Y478	R447-T474 HydrophobicContact CB-CG2 4.4Å; R447-T474 HydrophobicContact CG-CG2 4.24Å; C468-T474 WeakPolarHBondContact CB-OG1 3.33Å; D470-T474 PolarHBondContact O-N 3.18Å; D470-T474 PolarHBondContact O-OG1 3.31Å; F471-T474 PolarHBondContact O-N 3.18Å; N472-T474 VanDerWaalsContact C-N 3.34Å; N472-T474 PolarHBondContact O-N 3.38Å; T474-M477 PolarHBondContact O-N 3.37Å; T474-Y478 WeakPolarHBondContact O-CB 3.45Å; T474-Y478 PolarHBondContact O-N 2.83Å
475	T	96.8	Very high	97.1	Very high	25 Å²	25	41 Å²	41	15%	0.153	22%	0.224	C	C	.	.	H	α-helix	trans	-67.2	-46.6	177.5	-61.9	0	0	0	0	110.7	F471 N472 A473 M477 Y478 E479	F471-T475 WeakPolarHBondContact O-CB 3.3Å; F471-T475 PolarHBondContact O-N 3.31Å; F471-T475 PolarHBondContact O-OG1 3Å; N472-T475 CarbonylContact O-C 2.99Å; N472-T475 WeakPolarHBondContact O-CA 3.45Å; N472-T475 WeakPolarHBondContact O-CB 3.3Å; N472-T475 PolarHBondContact O-N 3.08Å; A473-T475 VanDerWaalsContact C-N 3.3Å; A473-T475 PolarHBondContact O-N 3.25Å; T475-M477 PolarHBondContact O-N 3.48Å; T475-Y478 WeakPolarHBondContact O-CB 3.48Å; T475-Y478 PolarHBondContact O-N 3.26Å; T475-Y478 VanDerWaalsContact O-N 3.17Å; T475-E479 WeakPolarHBondContact O-CG 3.35Å; T475-E479 PolarHBondContact O-N 3.37Å
476	T	98.2	Very high	97.1	Very high	75 Å²	75	39.1 Å²	39.1	46%	0.46	21%	0.214	S	C	.	.	H	α-helix	trans	-58.6	-45.1	173.4	-57.5	0	0	0	0	111.7	N472 A473 Y478 E479 L480	N472-T476 PolarHBondContact O-N 3.15Å; N472-T476 PolarHBondContact O-OG1 2.92Å; A473-T476 PolarHBondContact O-N 3.03Å; T476-Y478 VanDerWaalsContact C-N 3.32Å; T476-Y478 PolarHBondContact O-N 3.27Å; T476-E479 PolarHBondContact O-N 2.82Å; T476-L480 HydrophobicContact CG2-CD1 4.1Å; T476-L480 HydrophobicContact CG2-CG 4.41Å; T476-L480 VanDerWaalsContact O-CG 3.29Å; T476-L480 WeakPolarHBondContact O-CG 3.42Å; T476-L480 PolarHBondContact O-N 3.47Å
477	M	98.5	Very high	97.1	Very high	28 Å²	28	41.9 Å²	41.9	14%	0.138	23%	0.225	C	C	.	.	H	α-helix	trans	-58.3	-44.3	175.5	-176.8	62.8	74.2	0	0	111.7	C418 K421 A423 L424 A473 T474 T475 L480 C481	C418-M477 HydrophobicContact CB-CG 4.43Å; C418-M477 WeakPolarHBondContact O-CB 3.35Å; C418-M477 WeakPolarHBondContact O-CG 3.23Å; K421-M477 VanDerWaalsContact O-CE 3.28Å; K421-M477 WeakPolarHBondContact O-CE 3.3Å; A423-M477 HydrophobicContact CB-CG 4.03Å; A423-M477 HydrophobicContact CB-SD 4.22Å; L424-M477 HydrophobicContact CB-SD 3.59Å; L424-M477 VanDerWaalsContact CB-SD 3.59Å; A473-M477 WeakPolarHBondContact O-CB 3.36Å; A473-M477 PolarHBondContact O-N 3.49Å; T474-M477 PolarHBondContact O-N 3.37Å; T475-M477 PolarHBondContact O-N 3.48Å; M477-L480 PolarHBondContact O-N 3.09Å; M477-C481 PolarHBondContact O-N 2.94Å; M477-C481 PolarHBondContact O-SG 3.23Å; M477-C481 VanDerWaalsContact O-SG 3.34Å
478	Y	98.4	Very high	97.1	Very high	1 Å²	1	42.4 Å²	42.4	0%	0.004	23%	0.23	C	C	.	.	H	α-helix	trans	-61.1	-45.2	177.1	-162.1	-67.2	0	0	0	111.8	C418 L445 R447 T474 T475 T476 C481 L482 I501 T508	C418-Y478 HydrophobicContact CB-CD2 3.65Å; C418-Y478 HydrophobicContact CB-CG 4.11Å; C418-Y478 VanDerWaalsContact SG-CD2 3.59Å; L445-Y478 HydrophobicContact CB-CE1 4.29Å; L445-Y478 HydrophobicContact CB-CE2 4.04Å; L445-Y478 WeakPolarHBondContact CB-OH 3.32Å; L445-Y478 HydrophobicContact CD1-CE1 4.41Å; L445-Y478 PolarHBondContact O-OH 3.17Å; R447-Y478 HydrophobicContact CG-CD2 4.23Å; T474-Y478 WeakPolarHBondContact O-CB 3.45Å; T474-Y478 PolarHBondContact O-N 2.83Å; T475-Y478 WeakPolarHBondContact O-CB 3.48Å; T475-Y478 PolarHBondContact O-N 3.26Å; T475-Y478 VanDerWaalsContact O-N 3.17Å; T476-Y478 VanDerWaalsContact C-N 3.32Å; T476-Y478 PolarHBondContact O-N 3.27Å; Y478-C481 WeakPolarHBondContact O-CB 3.4Å; Y478-C481 PolarHBondContact O-N 2.79Å; Y478-L482 HydrophobicContact CD1-CD1 3.76Å; Y478-L482 HydrophobicContact CD1-CG 3.91Å; Y478-L482 HydrophobicContact CE1-CD1 3.69Å; Y478-L482 HydrophobicContact CE1-CD2 4.22Å; Y478-L482 HydrophobicContact CE1-CG 3.8Å; Y478-L482 PolarHBondContact O-N 3.47Å; Y478-I501 HydrophobicContact CE1-CG2 4.2Å; Y478-I501 VanDerWaalsContact OH-CG2 3.25Å; Y478-I501 WeakPolarHBondContact OH-CG2 3.4Å; Y478-T508 HydrophobicContact CD1-CG2 3.75Å; Y478-T508 HydrophobicContact CE1-CG2 3.56Å; Y478-T508 HydrophobicContact CG-CG2 4.4Å
479	E	98.2	Very high	97	Very high	61 Å²	61	42.9 Å²	42.9	29%	0.285	23%	0.231	S	C	.	.	H	α-helix	trans	-64.8	-39.8	178.2	-69.5	-179.5	160.3	0	0	112.1	T475 T476 L482 E483 H511	T475-E479 WeakPolarHBondContact O-CG 3.35Å; T475-E479 PolarHBondContact O-N 3.37Å; T476-E479 PolarHBondContact O-N 2.82Å; E479-L482 WeakPolarHBondContact O-CB 3.38Å; E479-L482 PolarHBondContact O-N 2.71Å; E479-E483 WeakPolarHBondContact O-CB 3.3Å; E479-E483 PolarHBondContact O-N 3.21Å; E479-H511 VanDerWaalsContact CD-ND1 3.34Å; E479-H511 IonicContact OE1-CE1 3.26Å; E479-H511 PolarHBondContact OE1-CE1 3.42Å; E479-H511 IonicContact OE1-CG 3.83Å; E479-H511 IonicContact OE1-ND1 2.72Å; E479-H511 PolarHBondContact OE1-ND1 3.31Å; E479-H511 IonicContact OE2-CE1 3.29Å
480	L	98.5	Very high	97	Very high	82 Å²	82	44.9 Å²	44.9	43%	0.429	23%	0.229	S	C	.	.	H	α-helix	trans	-63.1	-43.2	173.8	-69.8	171.5	0	0	0	111.8	L424 T476 M477 L482 E483 E484	L424-L480 HydrophobicContact CD1-CB 4.19Å; L424-L480 HydrophobicContact CD2-CB 4.07Å; L424-L480 HydrophobicContact CD2-CD1 4.24Å; T476-L480 HydrophobicContact CG2-CD1 4.1Å; T476-L480 HydrophobicContact CG2-CG 4.41Å; T476-L480 VanDerWaalsContact O-CG 3.29Å; T476-L480 WeakPolarHBondContact O-CG 3.42Å; T476-L480 PolarHBondContact O-N 3.47Å; M477-L480 PolarHBondContact O-N 3.09Å; L480-L482 VanDerWaalsContact C-N 3.33Å; L480-L482 PolarHBondContact O-N 3.33Å; L480-E483 PolarHBondContact O-N 3.35Å; L480-E484 PolarHBondContact O-N 3.19Å; L480-E484 VanDerWaalsContact O-N 3.12Å
481	C	98.7	Very high	97	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-60.3	-42.6	174.2	-73.9	0	0	0	0	112	L427 L445 M477 Y478 E484 V485	L427-C481 HydrophobicContact CD2-CB 3.47Å; L427-C481 VanDerWaalsContact CD2-CB 3.47Å; L427-C481 WeakPolarHBondContact CD2-O 3.09Å; L445-C481 HydrophobicContact CD1-CB 4.29Å; M477-C481 PolarHBondContact O-N 2.94Å; M477-C481 PolarHBondContact O-SG 3.23Å; M477-C481 VanDerWaalsContact O-SG 3.34Å; Y478-C481 WeakPolarHBondContact O-CB 3.4Å; Y478-C481 PolarHBondContact O-N 2.79Å; C481-E484 PolarHBondContact O-N 2.88Å; C481-V485 WeakPolarHBondContact O-CG2 3.13Å; C481-V485 PolarHBondContact O-N 3.05Å; C481-V485 VanDerWaalsContact O-N 3.12Å
482	L	97.8	Very high	97	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-61.7	-45.5	175.6	-80.1	177	0	0	0	111.9	L445 Y478 E479 L480 E484 V485 F486 I501 A512	L445-L482 HydrophobicContact CD1-CD2 3.71Å; L445-L482 HydrophobicContact CD1-CG 4.09Å; Y478-L482 HydrophobicContact CD1-CD1 3.76Å; Y478-L482 HydrophobicContact CD1-CG 3.91Å; Y478-L482 HydrophobicContact CE1-CD1 3.69Å; Y478-L482 HydrophobicContact CE1-CD2 4.22Å; Y478-L482 HydrophobicContact CE1-CG 3.8Å; Y478-L482 PolarHBondContact O-N 3.47Å; E479-L482 WeakPolarHBondContact O-CB 3.38Å; E479-L482 PolarHBondContact O-N 2.71Å; L480-L482 VanDerWaalsContact C-N 3.33Å; L480-L482 PolarHBondContact O-N 3.33Å; L482-E484 VanDerWaalsContact C-N 3.32Å; L482-E484 PolarHBondContact O-N 2.7Å; L482-V485 WeakPolarHBondContact O-CB 3.09Å; L482-V485 PolarHBondContact O-N 2.83Å; L482-V485 VanDerWaalsContact O-N 3.15Å; L482-F486 HydrophobicContact CB-CD2 4.32Å; L482-F486 HydrophobicContact CB-CE2 4.01Å; L482-F486 HydrophobicContact CD2-CE2 4.29Å; L482-F486 WeakPolarHBondContact O-CD2 2.98Å; L482-F486 WeakPolarHBondContact O-CG 3.48Å; L482-F486 PolarHBondContact O-N 3.41Å; L482-I501 HydrophobicContact CD2-CD1 3.59Å; L482-I501 HydrophobicContact CD2-CG1 3.91Å; L482-A512 HydrophobicContact CD1-CB 4.25Å
483	E	98	Very high	96.7	Very high	42 Å²	42	48 Å²	48	20%	0.196	23%	0.232	C	C	.	.	H	α-helix	trans	-58.1	-43.9	179.3	-174.9	67	-151	0	0	111.4	E479 L480 V485 F486 K487 K515 Y519	E479-E483 WeakPolarHBondContact O-CB 3.3Å; E479-E483 PolarHBondContact O-N 3.21Å; L480-E483 PolarHBondContact O-N 3.35Å; E483-V485 PolarHBondContact O-N 2.91Å; E483-F486 PolarHBondContact O-N 3.48Å; E483-K487 WeakPolarHBondContact O-CG 3.36Å; E483-K487 PolarHBondContact O-N 2.92Å; E483-K515 WeakPolarHBondContact OE2-CD 3.2Å; E483-K515 VanDerWaalsContact OE2-CE 3.24Å; E483-K515 WeakPolarHBondContact OE2-CE 3.25Å; E483-K515 IonicContact OE2-NZ 2.76Å; E483-K515 PolarHBondContact OE2-NZ 3.39Å; E483-Y519 PolarHBondContact OE1-OH 2.92Å
484	E	98	Very high	96.2	Very high	52 Å²	52	51 Å²	51	24%	0.243	25%	0.252	C	S	.	.	H	α-helix	trans	-66.2	-36.4	175.6	-70.1	-54.4	121.1	0	0	113.2	L424 L431 L480 C481 L482 K487 A488	L424-E484 HydrophobicContact CD1-CB 4.44Å; L424-E484 HydrophobicContact CD1-CG 3.72Å; L431-E484 HydrophobicContact CD1-CB 4.39Å; L480-E484 PolarHBondContact O-N 3.19Å; L480-E484 VanDerWaalsContact O-N 3.12Å; C481-E484 PolarHBondContact O-N 2.88Å; L482-E484 VanDerWaalsContact C-N 3.32Å; L482-E484 PolarHBondContact O-N 2.7Å; E484-K487 PolarHBondContact O-N 3.17Å; E484-K487 WeakPolarHBondContact OE1-CD 3.47Å; E484-K487 IonicContact OE1-NZ 2.62Å; E484-K487 PolarHBondContact OE1-NZ 2.84Å; E484-A488 WeakPolarHBondContact O-CB 3.49Å; E484-A488 PolarHBondContact O-N 3.37Å
485	V	98	Very high	95.8	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-60.9	-46.7	172.3	163.3	0	0	0	0	111.1	L427 L431 C481 L482 E483 A488 I489 V497 V499 I528	L427-V485 HydrophobicContact CD1-CG2 4.49Å; L427-V485 HydrophobicContact CD2-CG2 4.06Å; L431-V485 HydrophobicContact CD1-CG2 4.42Å; C481-V485 WeakPolarHBondContact O-CG2 3.13Å; C481-V485 PolarHBondContact O-N 3.05Å; C481-V485 VanDerWaalsContact O-N 3.12Å; L482-V485 WeakPolarHBondContact O-CB 3.09Å; L482-V485 PolarHBondContact O-N 2.83Å; L482-V485 VanDerWaalsContact O-N 3.15Å; E483-V485 PolarHBondContact O-N 2.91Å; V485-A488 PolarHBondContact O-N 3.35Å; V485-I489 HydrophobicContact CG1-CD1 3.88Å; V485-I489 WeakPolarHBondContact O-CG1 3.29Å; V485-I489 PolarHBondContact O-N 2.71Å; V485-V497 HydrophobicContact CG1-CG1 4.41Å; V485-V499 HydrophobicContact CB-CG2 4.38Å; V485-V499 HydrophobicContact CG1-CB 4Å; V485-V499 HydrophobicContact CG1-CG1 4.4Å; V485-V499 HydrophobicContact CG1-CG2 3.43Å; V485-V499 VanDerWaalsContact CG1-CG2 3.43Å; V485-V499 HydrophobicContact CG2-CG2 3.98Å; V485-I528 HydrophobicContact CG1-CD1 4.38Å
486	F	97.3	Very high	95.7	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-64.9	-41.9	-179.5	-70.3	-55.9	0	0	0	112.3	L482 E483 A488 I489 K490 K515 M516 Y519 I521 I528	L482-F486 HydrophobicContact CB-CD2 4.32Å; L482-F486 HydrophobicContact CB-CE2 4.01Å; L482-F486 HydrophobicContact CD2-CE2 4.29Å; L482-F486 WeakPolarHBondContact O-CD2 2.98Å; L482-F486 WeakPolarHBondContact O-CG 3.48Å; L482-F486 PolarHBondContact O-N 3.41Å; E483-F486 PolarHBondContact O-N 3.48Å; F486-A488 VanDerWaalsContact C-N 3.31Å; F486-A488 PolarHBondContact O-N 3.2Å; F486-I489 HydrophobicContact CD1-CD1 4.37Å; F486-I489 PolarHBondContact O-N 2.94Å; F486-K490 PolarHBondContact O-N 3.33Å; F486-K490 VanDerWaalsContact O-N 3.07Å; F486-K515 HydrophobicContact CD2-CB 3.67Å; F486-K515 HydrophobicContact CD2-CG 4.33Å; F486-K515 HydrophobicContact CE2-CB 3.27Å; F486-K515 HydrophobicContact CE2-CG 4.08Å; F486-K515 HydrophobicContact CZ-CB 3.82Å; F486-M516 HydrophobicContact CE1-CG 3.69Å; F486-M516 HydrophobicContact CZ-CG 3.88Å; F486-Y519 HydrophobicContact CB-CD1 3.95Å; F486-Y519 HydrophobicContact CB-CD2 3.73Å; F486-Y519 HydrophobicContact CB-CE1 4Å; F486-Y519 HydrophobicContact CB-CE2 3.77Å; F486-Y519 HydrophobicContact CB-CG 3.82Å; F486-Y519 HydrophobicContact CG-CD2 4.2Å; F486-Y519 HydrophobicContact CG-CG 4.45Å; F486-I521 HydrophobicContact CD1-CD1 3.4Å; F486-I521 VanDerWaalsContact CD1-CD1 3.4Å; F486-I521 HydrophobicContact CE1-CD1 3.85Å; F486-I528 HydrophobicContact CE1-CD1 4.1Å; F486-I528 HydrophobicContact CE1-CG1 4.08Å
487	K	97	Very high	95.6	Very high	70 Å²	70	47.6 Å²	47.6	30%	0.304	23%	0.234	S	C	.	.	H	α-helix	trans	-58	-43.9	170.8	-70.2	172.4	-171.5	163.9	0	111.8	E483 E484 K490 K491 Y519	E483-K487 WeakPolarHBondContact O-CG 3.36Å; E483-K487 PolarHBondContact O-N 2.92Å; E484-K487 PolarHBondContact O-N 3.17Å; E484-K487 WeakPolarHBondContact OE1-CD 3.47Å; E484-K487 IonicContact OE1-NZ 2.62Å; E484-K487 PolarHBondContact OE1-NZ 2.84Å; K487-K490 PolarHBondContact O-N 2.94Å; K487-K491 WeakPolarHBondContact O-CB 3.5Å; K487-K491 VanDerWaalsContact O-CG 3.3Å; K487-K491 WeakPolarHBondContact O-CG 3.45Å; K487-K491 PolarHBondContact O-N 2.97Å; K487-Y519 HydrophobicContact CG-CE1 4.28Å; K487-Y519 WeakPolarHBondContact CG-OH 3.33Å
488	A	96.6	Very high	95.5	Very high	14 Å²	14	47.2 Å²	47.2	12%	0.116	24%	0.235	C	C	.	.	H	α-helix	trans	-65.4	-39.9	179	0	0	0	0	0	112.3	L431 E484 V485 F486 K490 K491 R492 V497	L431-A488 HydrophobicContact CD1-CB 4.13Å; L431-A488 HydrophobicContact CD2-CB 3.83Å; L431-A488 HydrophobicContact CG-CB 4.45Å; E484-A488 WeakPolarHBondContact O-CB 3.49Å; E484-A488 PolarHBondContact O-N 3.37Å; V485-A488 PolarHBondContact O-N 3.35Å; F486-A488 VanDerWaalsContact C-N 3.31Å; F486-A488 PolarHBondContact O-N 3.2Å; A488-K490 VanDerWaalsContact C-N 3.33Å; A488-K490 PolarHBondContact O-N 2.84Å; A488-K491 PolarHBondContact O-N 2.87Å; A488-R492 WeakPolarHBondContact O-CB 3.18Å; A488-R492 WeakPolarHBondContact O-CG 3.36Å; A488-R492 PolarHBondContact O-N 3.49Å; A488-R492 VanDerWaalsContact O-N 3.1Å; A488-V497 HydrophobicContact CB-CG2 4.32Å
489	I	95.9	Very high	95.4	Very high	17 Å²	17	47.2 Å²	47.2	9%	0.087	24%	0.235	C	C	.	.	H	α-helix	trans	-58.6	-45.1	173.9	-71.7	165.7	0	0	0	110.7	V485 F486 V497 I521 L527 I528	V485-I489 HydrophobicContact CG1-CD1 3.88Å; V485-I489 WeakPolarHBondContact O-CG1 3.29Å; V485-I489 PolarHBondContact O-N 2.71Å; F486-I489 HydrophobicContact CD1-CD1 4.37Å; F486-I489 PolarHBondContact O-N 2.94Å; I489-V497 HydrophobicContact CD1-CG1 4.37Å; I489-V497 HydrophobicContact CG1-CB 3.72Å; I489-V497 HydrophobicContact CG1-CG1 3.68Å; I489-I521 HydrophobicContact CB-CD1 4.3Å; I489-I521 HydrophobicContact CD1-CD1 4.05Å; I489-I521 HydrophobicContact CG2-CD1 3.81Å; I489-I521 HydrophobicContact CG2-CG1 4.17Å; I489-L527 HydrophobicContact CG2-CD1 3.76Å; I489-I528 HydrophobicContact CD1-CD1 3.73Å; I489-I528 HydrophobicContact CD1-CG1 4.39Å
490	K	94.1	Very high	95.4	Very high	129 Å²	129	44.3 Å²	44.3	56%	0.561	22%	0.221	S	C	*	.	H	α-helix	trans	-69.8	-34.4	-178.5	-166.7	65.2	167.4	-160.9	0	113.3	F486 K487 A488 Y519 D520	F486-K490 PolarHBondContact O-N 3.33Å; F486-K490 VanDerWaalsContact O-N 3.07Å; K487-K490 PolarHBondContact O-N 2.94Å; A488-K490 VanDerWaalsContact C-N 3.33Å; A488-K490 PolarHBondContact O-N 2.84Å; K490-Y519 HydrophobicContact CB-CD1 4.32Å; K490-D520 IonicContact NZ-OD2 2.84Å
491	K	94.3	Very high	95.4	Very high	173 Å²	173	40.4 Å²	40.4	75%	0.752	20%	0.201	S	C	*	.	H	α-helix	trans	-76.3	-26.1	-179.8	-73.3	175.1	-179.4	-179.9	0	113.3	K487 A488	K487-K491 WeakPolarHBondContact O-CB 3.5Å; K487-K491 VanDerWaalsContact O-CG 3.3Å; K487-K491 WeakPolarHBondContact O-CG 3.45Å; K487-K491 PolarHBondContact O-N 2.97Å; A488-K491 PolarHBondContact O-N 2.87Å
492	R	91.9	Very high	95.3	Very high	32 Å²	32	41.4 Å²	41.4	12%	0.121	21%	0.209	C	C	.	.	S	Bend	trans	-103.1	166.5	-174.1	-66.3	-171	67.5	179.5	3.1	111.6	A434 F439 A488 Q496	A434-R492 VanDerWaalsContact C-NH1 3.32Å; A434-R492 PolarHBondContact O-NH1 2.88Å; A434-R492 PolarHBondContact O-NH2 3.41Å; F439-R492 PolarHBondContact O-NH1 3.04Å; F439-R492 PolarHBondContact O-NH2 3.37Å; A488-R492 WeakPolarHBondContact O-CB 3.18Å; A488-R492 WeakPolarHBondContact O-CG 3.36Å; A488-R492 PolarHBondContact O-N 3.49Å; A488-R492 VanDerWaalsContact O-N 3.1Å; R492-Q496 HydrophobicContact CB-CB 4.21Å
493	K	89	Confident	95.1	Very high	166 Å²	166	41.6 Å²	41.6	72%	0.722	21%	0.21	S	C	*	.	P	Polyproline II helix	trans	-63.8	144.8	174.5	-63.7	-179.8	-178.6	177.8	0	109.3	G495 Q496	K493-G495 PolarHBondContact O-N 3.32Å; K493-Q496 HydrophobicContact CB-CG 4.07Å; K493-Q496 VanDerWaalsContact O-CB 3.32Å; K493-Q496 WeakPolarHBondContact O-CB 3.19Å; K493-Q496 WeakPolarHBondContact O-CG 3.44Å; K493-Q496 PolarHBondContact O-N 2.85Å; K493-Q496 VanDerWaalsContact O-N 3.1Å
494	S	87.3	Confident	94.8	Very high	93 Å²	93	41.6 Å²	41.6	65%	0.65	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.1	137.3	177.5	-172.4	0	0	0	0	110.9
495	G	88.8	Confident	94.4	Very high	22 Å²	22	40.8 Å²	40.8	23%	0.227	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.8	-23.9	-176.1	0	0	0	0	0	115	Y440 K493 V497 L527	Y440-G495 WeakPolarHBondContact CD1-O 3.29Å; K493-G495 PolarHBondContact O-N 3.32Å; G495-V497 PolarHBondContact O-N 3.2Å; G495-L527 VanDerWaalsContact CA-CD2 3.42Å
496	Q	94.6	Very high	94.1	Very high	14 Å²	14	41.9 Å²	41.9	7%	0.065	21%	0.213	C	C	.	.	S	Bend	trans	-70.8	-15.4	-173.2	-68.9	-165.6	-46.4	0	0	115	N438 Y440 F441 R492 K493	N438-Q496 PolarHBondContact OD1-NE2 3.31Å; Y440-Q496 CarbonylContact C-O 3.5Å; Y440-Q496 WeakPolarHBondContact CA-O 3.35Å; Y440-Q496 HydrophobicContact CD1-CB 4.49Å; Y440-Q496 HydrophobicContact CD1-CG 4.4Å; Y440-Q496 HydrophobicContact CE1-CG 4.07Å; Y440-Q496 HydrophobicContact CE2-CG 4.43Å; F441-Q496 PolarHBondContact N-O 3Å; R492-Q496 HydrophobicContact CB-CB 4.21Å; K493-Q496 HydrophobicContact CB-CG 4.07Å; K493-Q496 VanDerWaalsContact O-CB 3.32Å; K493-Q496 WeakPolarHBondContact O-CB 3.19Å; K493-Q496 WeakPolarHBondContact O-CG 3.44Å; K493-Q496 PolarHBondContact O-N 2.85Å; K493-Q496 VanDerWaalsContact O-N 3.1Å
497	V	97.2	Very high	93.9	Very high	3 Å²	3	46.9 Å²	46.9	2%	0.018	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	117.9	176.6	178.8	0	0	0	0	107.5	L431 F441 V485 A488 I489 G495 V499	L431-V497 HydrophobicContact CD2-CG1 4.26Å; F441-V497 HydrophobicContact CB-CG2 4.38Å; F441-V497 HydrophobicContact CD1-CG1 4.14Å; V485-V497 HydrophobicContact CG1-CG1 4.41Å; A488-V497 HydrophobicContact CB-CG2 4.32Å; I489-V497 HydrophobicContact CD1-CG1 4.37Å; I489-V497 HydrophobicContact CG1-CB 3.72Å; I489-V497 HydrophobicContact CG1-CG1 3.68Å; G495-V497 PolarHBondContact O-N 3.2Å; V497-V499 HydrophobicContact CG1-CG2 4.15Å
498	S	95.6	Very high	93.8	Very high	20 Å²	20	43.7 Å²	43.7	14%	0.14	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	125.7	179.2	-66	0	0	0	0	109.8	F413 F441 G442 A443 L527	F413-S498 WeakPolarHBondContact CE1-O 3.25Å; F441-S498 PolarHBondContact O-N 3.3Å; G442-S498 CarbonylContact C-O 3.56Å; G442-S498 VanDerWaalsContact CA-O 3.32Å; G442-S498 WeakPolarHBondContact CA-O 3.43Å; A443-S498 PolarHBondContact N-O 2.74Å; S498-L527 CarbonylContact C-O 3.57Å; S498-L527 WeakPolarHBondContact CA-O 3.28Å
499	V	97.3	Very high	93.7	Very high	1 Å²	1	43 Å²	43	1%	0.006	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	135.4	-174.9	-178.7	0	0	0	0	111.8	A443 L445 V485 V497 L527 I528 C529	A443-V499 HydrophobicContact CB-CG1 4.32Å; A443-V499 HydrophobicContact CB-CG2 4.08Å; A443-V499 CarbonylContact O-C 3.59Å; A443-V499 VanDerWaalsContact O-CA 3.31Å; A443-V499 WeakPolarHBondContact O-CA 3.23Å; L445-V499 HydrophobicContact CD1-CG1 4.22Å; L445-V499 HydrophobicContact CG-CG1 3.94Å; V485-V499 HydrophobicContact CB-CG2 4.38Å; V485-V499 HydrophobicContact CG1-CB 4Å; V485-V499 HydrophobicContact CG1-CG1 4.4Å; V485-V499 HydrophobicContact CG1-CG2 3.43Å; V485-V499 VanDerWaalsContact CG1-CG2 3.43Å; V485-V499 HydrophobicContact CG2-CG2 3.98Å; V497-V499 HydrophobicContact CG1-CG2 4.15Å; V499-L527 PolarHBondContact N-O 3.2Å; V499-I528 HydrophobicContact CB-CD1 4.08Å; V499-I528 WeakPolarHBondContact O-CA 3.37Å; V499-C529 PolarHBondContact O-N 2.8Å
500	M	97.8	Very high	93.7	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	123.6	167.5	-178.5	176.4	-69	0	0	110.2	I145 F235 M382 A443 K444 L445 A502 C529 Y552	I145-M500 HydrophobicContact CD1-CE 3.68Å; I145-M500 HydrophobicContact CD1-SD 3.52Å; I145-M500 VanDerWaalsContact CD1-SD 3.52Å; I145-M500 HydrophobicContact CG1-CE 4.26Å; F235-M500 HydrophobicContact CD2-CE 3.96Å; F235-M500 HydrophobicContact CE2-CE 3.63Å; F235-M500 HydrophobicContact CZ-CE 4.12Å; M382-M500 HydrophobicContact CE-CB 4.46Å; M382-M500 HydrophobicContact CE-CE 3.62Å; M382-M500 HydrophobicContact CE-SD 3.52Å; M382-M500 VanDerWaalsContact CE-SD 3.52Å; M382-M500 HydrophobicContact SD-SD 4.2Å; A443-M500 PolarHBondContact O-N 3.42Å; K444-M500 CarbonylContact C-O 3.51Å; K444-M500 WeakPolarHBondContact CA-O 3.37Å; K444-M500 HydrophobicContact CB-CB 4.43Å; K444-M500 HydrophobicContact CG-CB 4.4Å; K444-M500 HydrophobicContact CG-CG 4.47Å; K444-M500 HydrophobicContact CG-SD 4.35Å; L445-M500 PolarHBondContact N-O 3.36Å; M500-A502 HydrophobicContact CG-CB 4.46Å; M500-A502 PolarHBondContact O-N 3.02Å; M500-C529 CarbonylContact C-O 3.59Å; M500-C529 VanDerWaalsContact CA-O 3.28Å; M500-C529 WeakPolarHBondContact CA-O 3.46Å; M500-C529 HydrophobicContact CB-CB 4.49Å; M500-C529 HydrophobicContact CE-CB 4.46Å; M500-Y552 HydrophobicContact CE-CD1 4.37Å; M500-Y552 HydrophobicContact CE-CD2 3.76Å; M500-Y552 HydrophobicContact CE-CE2 4.37Å; M500-Y552 HydrophobicContact CE-CG 3.77Å
501	I	98	Very high	93.7	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	96.6	172	-56.4	-177.6	0	0	0	106.9	Y478 L482 S503 A512 I528 C529 F530 G531	Y478-I501 HydrophobicContact CE1-CG2 4.2Å; Y478-I501 VanDerWaalsContact OH-CG2 3.25Å; Y478-I501 WeakPolarHBondContact OH-CG2 3.4Å; L482-I501 HydrophobicContact CD2-CD1 3.59Å; L482-I501 HydrophobicContact CD2-CG1 3.91Å; I501-S503 PolarHBondContact O-N 2.85Å; I501-A512 HydrophobicContact CD1-CB 3.37Å; I501-I528 HydrophobicContact CD1-CG2 3.63Å; I501-I528 HydrophobicContact CG1-CG2 4.05Å; I501-C529 PolarHBondContact N-O 3.01Å; I501-F530 HydrophobicContact CB-CD1 4.05Å; I501-F530 HydrophobicContact CB-CE1 4.28Å; I501-F530 HydrophobicContact CD1-CE1 4.03Å; I501-F530 HydrophobicContact CG2-CD1 4.29Å; I501-F530 HydrophobicContact CG2-CE1 4.39Å; I501-F530 WeakPolarHBondContact O-CA 3.24Å; I501-G531 PolarHBondContact O-N 3.26Å
502	A	96.6	Very high	93.9	Very high	21 Å²	21	34.9 Å²	34.9	17%	0.174	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	85.8	-177.9	0	0	0	0	0	110.1	K444 L445 V446 M500 G531	K444-A502 HydrophobicContact CG-CB 4Å; L445-A502 WeakPolarHBondContact O-CA 3.34Å; L445-A502 WeakPolarHBondContact O-CB 3.23Å; L445-A502 PolarHBondContact O-N 3.28Å; V446-A502 HydrophobicContact CG1-CB 3.77Å; M500-A502 HydrophobicContact CG-CB 4.46Å; M500-A502 PolarHBondContact O-N 3.02Å; A502-G531 CarbonylContact C-O 3.5Å; A502-G531 VanDerWaalsContact CA-O 3.3Å; A502-G531 WeakPolarHBondContact CA-O 3.4Å
503	S	94.3	Very high	94.1	Very high	5 Å²	5	34.4 Å²	34.4	4%	0.035	18%	0.181	C	C	.	.			trans	-142.1	138.6	-177.7	-174.3	0	0	0	0	112.1	I501 N505 G531 Q532	I501-S503 PolarHBondContact O-N 2.85Å; S503-N505 PolarHBondContact OG-N 3.38Å; S503-N505 VanDerWaalsContact OG-N 3.1Å; S503-G531 PolarHBondContact N-O 3.46Å; S503-Q532 WeakPolarHBondContact O-CG 3.36Å; S503-Q532 PolarHBondContact O-NE2 2.78Å
504	H	90.4	Very high	94.4	Very high	42 Å²	42	32.8 Å²	32.8	19%	0.194	17%	0.174	C	C	.	.			trans	-89	-11.3	169	-62.3	121.4	0	0	0	113	E506 L533 C537 I540 E573	H504-E506 PolarHBondContact O-N 2.78Å; H504-L533 PolarHBondContact NE2-N 3.07Å; H504-C537 WeakPolarHBondContact CB-SG 3.42Å; H504-C537 VanDerWaalsContact CD2-SG 3.55Å; H504-C537 PolarHBondContact O-SG 3.13Å; H504-C537 VanDerWaalsContact O-SG 3.42Å; H504-I540 WeakPolarHBondContact O-CD1 3.37Å; H504-E573 IonicContact CE1-OE1 3.19Å
505	N	90.8	Very high	94.8	Very high	34 Å²	34	29.9 Å²	29.9	18%	0.182	15%	0.15	C	C	.	.			trans	-81.3	119.4	-176.9	178.3	-77.2	0	0	0	110.4	R447 S503 D507 T508 V509	R447-N505 VanDerWaalsContact NH2-CB 3.29Å; R447-N505 PolarHBondContact NH2-ND2 3.49Å; S503-N505 PolarHBondContact OG-N 3.38Å; S503-N505 VanDerWaalsContact OG-N 3.1Å; N505-D507 VanDerWaalsContact C-N 3.29Å; N505-D507 PolarHBondContact O-N 3.26Å; N505-D507 WeakPolarHBondContact OD1-CA 3.46Å; N505-D507 WeakPolarHBondContact OD1-CB 3.38Å; N505-D507 PolarHBondContact OD1-N 3.44Å; N505-T508 PolarHBondContact O-N 3.44Å; N505-T508 PolarHBondContact OD1-N 3.01Å; N505-T508 PolarHBondContact OD1-OG1 3Å; N505-V509 WeakPolarHBondContact O-CG2 3.29Å; N505-V509 PolarHBondContact O-N 2.9Å; N505-V509 VanDerWaalsContact O-N 3.15Å
506	E	91.8	Very high	95.1	Very high	24 Å²	24	29 Å²	29	11%	0.112	14%	0.14	C	C	.	.	H	α-helix	trans	-58.2	-39.6	-177.7	-159.6	175.8	122.3	0	0	112.2	F59 R60 H504 V509 R510 I540	F59-E506 HydrophobicContact CB-CG 4.43Å; F59-E506 HydrophobicContact CD2-CG 3.43Å; F59-E506 VanDerWaalsContact CD2-CG 3.43Å; F59-E506 HydrophobicContact CE2-CG 4.01Å; F59-E506 HydrophobicContact CG-CG 4.24Å; R60-E506 IonicContact CZ-OE1 2.73Å; R60-E506 IonicContact CZ-OE2 3.35Å; R60-E506 IonicContact NE-OE1 3.55Å; R60-E506 IonicContact NE-OE2 3.47Å; R60-E506 IonicContact NH2-OE1 3.21Å; R60-E506 PolarHBondContact NH2-OE1 3.5Å; R60-E506 VanDerWaalsContact NH2-OE1 3.07Å; R60-E506 IonicContact NH2-OE2 2.72Å; R60-E506 PolarHBondContact NH2-OE2 3.11Å; H504-E506 PolarHBondContact O-N 2.78Å; E506-V509 PolarHBondContact O-N 3.4Å; E506-R510 VanDerWaalsContact CG-NH1 3.32Å; E506-R510 WeakPolarHBondContact O-CG 3.22Å; E506-R510 PolarHBondContact O-N 2.88Å; E506-R510 IonicContact OE1-CZ 3.7Å; E506-R510 IonicContact OE1-NH1 3.62Å; E506-R510 PolarHBondContact OE1-NH1 2.91Å; E506-R510 IonicContact OE1-NH2 2.69Å; E506-R510 PolarHBondContact OE1-NH2 3.34Å; E506-I540 HydrophobicContact CB-CD1 4.22Å; E506-I540 HydrophobicContact CG-CD1 4.46Å
507	D	92.6	Very high	95	Very high	104 Å²	104	32.2 Å²	32.2	56%	0.556	16%	0.155	S	C	*	.	H	α-helix	trans	-70.4	-40.5	-177.9	-53.8	-40.4	0	0	0	111.8	N505 V509 R510 H511	N505-D507 VanDerWaalsContact C-N 3.29Å; N505-D507 PolarHBondContact O-N 3.26Å; N505-D507 WeakPolarHBondContact OD1-CA 3.46Å; N505-D507 WeakPolarHBondContact OD1-CB 3.38Å; N505-D507 PolarHBondContact OD1-N 3.44Å; D507-V509 VanDerWaalsContact C-N 3.29Å; D507-V509 PolarHBondContact O-N 3.15Å; D507-R510 PolarHBondContact O-N 3.36Å; D507-R510 IonicContact OD1-NH1 2.65Å; D507-H511 WeakPolarHBondContact O-CB 3.45Å; D507-H511 PolarHBondContact O-N 2.88Å
508	T	94.3	Very high	94.9	Very high	3 Å²	3	36.2 Å²	36.2	2%	0.018	17%	0.173	C	C	.	.	H	α-helix	trans	-60.1	-40.9	172.3	-57	0	0	0	0	111.3	R447 Y478 N505 A512	R447-T508 PolarHBondContact NH2-OG1 2.65Å; Y478-T508 HydrophobicContact CD1-CG2 3.75Å; Y478-T508 HydrophobicContact CE1-CG2 3.56Å; Y478-T508 HydrophobicContact CG-CG2 4.4Å; N505-T508 PolarHBondContact O-N 3.44Å; N505-T508 PolarHBondContact OD1-N 3.01Å; N505-T508 PolarHBondContact OD1-OG1 3Å; T508-A512 WeakPolarHBondContact O-CB 3.27Å; T508-A512 PolarHBondContact O-N 2.99Å
509	V	95.5	Very high	94.9	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-66.8	-45.4	176.6	172.4	0	0	0	0	110.7	F59 N505 E506 D507 H511 A512 L513 F530 I540 L544	F59-V509 HydrophobicContact CE2-CG1 4.37Å; F59-V509 HydrophobicContact CZ-CG1 3.89Å; N505-V509 WeakPolarHBondContact O-CG2 3.29Å; N505-V509 PolarHBondContact O-N 2.9Å; N505-V509 VanDerWaalsContact O-N 3.15Å; E506-V509 PolarHBondContact O-N 3.4Å; D507-V509 VanDerWaalsContact C-N 3.29Å; D507-V509 PolarHBondContact O-N 3.15Å; V509-H511 VanDerWaalsContact C-N 3.34Å; V509-H511 PolarHBondContact O-N 2.84Å; V509-A512 WeakPolarHBondContact O-CB 3.3Å; V509-A512 PolarHBondContact O-N 2.86Å; V509-L513 HydrophobicContact CG1-CD1 4.23Å; V509-L513 HydrophobicContact CG1-CG 4.49Å; V509-L513 VanDerWaalsContact O-CG 3.32Å; V509-L513 WeakPolarHBondContact O-CG 3.22Å; V509-L513 PolarHBondContact O-N 3.27Å; V509-F530 HydrophobicContact CG1-CD1 4.21Å; V509-F530 HydrophobicContact CG1-CE1 4.05Å; V509-F530 HydrophobicContact CG2-CD1 4.43Å; V509-I540 HydrophobicContact CG1-CG2 4.09Å; V509-I540 HydrophobicContact CG2-CG2 4.12Å; V509-L544 HydrophobicContact CG1-CD1 3.92Å; V509-L544 HydrophobicContact CG1-CD2 4.25Å
510	R	95.2	Very high	94.7	Very high	105 Å²	105	43.1 Å²	43.1	40%	0.396	21%	0.206	S	C	.	.	H	α-helix	trans	-59.9	-43.4	175.2	-75.3	-170.2	177.9	103.9	6.3	112.6	F59 E506 D507 A512 L513 K514	F59-R510 HydrophobicContact CE2-CG 3.96Å; E506-R510 VanDerWaalsContact CG-NH1 3.32Å; E506-R510 WeakPolarHBondContact O-CG 3.22Å; E506-R510 PolarHBondContact O-N 2.88Å; E506-R510 IonicContact OE1-CZ 3.7Å; E506-R510 IonicContact OE1-NH1 3.62Å; E506-R510 PolarHBondContact OE1-NH1 2.91Å; E506-R510 IonicContact OE1-NH2 2.69Å; E506-R510 PolarHBondContact OE1-NH2 3.34Å; D507-R510 PolarHBondContact O-N 3.36Å; D507-R510 IonicContact OD1-NH1 2.65Å; R510-A512 VanDerWaalsContact C-N 3.31Å; R510-A512 PolarHBondContact O-N 3.04Å; R510-L513 PolarHBondContact O-N 3.35Å; R510-K514 WeakPolarHBondContact O-CB 3.48Å; R510-K514 PolarHBondContact O-N 3.28Å
511	H	95.5	Very high	94.5	Very high	43 Å²	43	43.6 Å²	43.6	20%	0.199	21%	0.208	C	C	.	.	H	α-helix	trans	-57.8	-47.7	176.2	-174.2	112.6	0	0	0	110.3	E479 D507 V509 L513 K514 K515	E479-H511 VanDerWaalsContact CD-ND1 3.34Å; E479-H511 IonicContact OE1-CE1 3.26Å; E479-H511 PolarHBondContact OE1-CE1 3.42Å; E479-H511 IonicContact OE1-CG 3.83Å; E479-H511 IonicContact OE1-ND1 2.72Å; E479-H511 PolarHBondContact OE1-ND1 3.31Å; E479-H511 IonicContact OE2-CE1 3.29Å; D507-H511 WeakPolarHBondContact O-CB 3.45Å; D507-H511 PolarHBondContact O-N 2.88Å; V509-H511 VanDerWaalsContact C-N 3.34Å; V509-H511 PolarHBondContact O-N 2.84Å; H511-L513 PolarHBondContact O-N 3.06Å; H511-K514 WeakPolarHBondContact O-CB 3.46Å; H511-K514 PolarHBondContact O-N 3.33Å; H511-K515 WeakPolarHBondContact O-CG 3.46Å; H511-K515 PolarHBondContact O-N 3.23Å
512	A	96.6	Very high	94.2	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-60.6	-43.9	177.1	0	0	0	0	0	112.8	L482 I501 T508 V509 R510 K514 K515 M516 F530	L482-A512 HydrophobicContact CD1-CB 4.25Å; I501-A512 HydrophobicContact CD1-CB 3.37Å; T508-A512 WeakPolarHBondContact O-CB 3.27Å; T508-A512 PolarHBondContact O-N 2.99Å; V509-A512 WeakPolarHBondContact O-CB 3.3Å; V509-A512 PolarHBondContact O-N 2.86Å; R510-A512 VanDerWaalsContact C-N 3.31Å; R510-A512 PolarHBondContact O-N 3.04Å; A512-K514 PolarHBondContact O-N 3.42Å; A512-K515 PolarHBondContact O-N 3.48Å; A512-M516 VanDerWaalsContact O-CG 3.28Å; A512-M516 WeakPolarHBondContact O-CG 3.48Å; A512-M516 PolarHBondContact O-N 2.98Å; A512-F530 HydrophobicContact CB-CE1 4.07Å; A512-F530 HydrophobicContact CB-CZ 4.45Å
513	L	96	Very high	93.8	Very high	22 Å²	22	45.8 Å²	45.8	12%	0.115	22%	0.222	C	C	.	.	H	α-helix	trans	-61.5	-43.6	176.5	-67.5	171	0	0	0	112	F57 F59 V509 R510 H511 K515 M516 H517 F530 L544 Y549	F57-L513 HydrophobicContact CE2-CD1 4.11Å; F57-L513 HydrophobicContact CZ-CD1 3.71Å; F57-L513 HydrophobicContact CZ-CD2 4.5Å; F59-L513 HydrophobicContact CZ-CD1 4.18Å; V509-L513 HydrophobicContact CG1-CD1 4.23Å; V509-L513 HydrophobicContact CG1-CG 4.49Å; V509-L513 VanDerWaalsContact O-CG 3.32Å; V509-L513 WeakPolarHBondContact O-CG 3.22Å; V509-L513 PolarHBondContact O-N 3.27Å; R510-L513 PolarHBondContact O-N 3.35Å; H511-L513 PolarHBondContact O-N 3.06Å; L513-K515 VanDerWaalsContact C-N 3.34Å; L513-K515 PolarHBondContact O-N 3.4Å; L513-M516 PolarHBondContact O-N 3.23Å; L513-H517 PolarHBondContact O-N 3.03Å; L513-H517 VanDerWaalsContact O-N 3.12Å; L513-F530 HydrophobicContact CD2-CE2 4.13Å; L513-F530 HydrophobicContact CD2-CZ 3.77Å; L513-F530 HydrophobicContact CG-CZ 4.27Å; L513-L544 HydrophobicContact CD1-CD2 3.92Å; L513-L544 HydrophobicContact CD2-CD2 3.91Å; L513-L544 HydrophobicContact CG-CD2 4.38Å; L513-Y549 HydrophobicContact CD2-CD1 3.94Å; L513-Y549 HydrophobicContact CD2-CD2 4.35Å; L513-Y549 HydrophobicContact CD2-CE1 3.36Å; L513-Y549 HydrophobicContact CD2-CE2 3.86Å; L513-Y549 HydrophobicContact CD2-CG 4.4Å
514	K	95.6	Very high	93.4	Very high	132 Å²	132	53.2 Å²	53.2	57%	0.574	25%	0.253	S	S	*	.	H	α-helix	trans	-58.8	-47.6	175.2	-173.5	-167.3	-178.6	-153.2	0	110.6	R510 H511 A512 H517 E518	R510-K514 WeakPolarHBondContact O-CB 3.48Å; R510-K514 PolarHBondContact O-N 3.28Å; H511-K514 WeakPolarHBondContact O-CB 3.46Å; H511-K514 PolarHBondContact O-N 3.33Å; A512-K514 PolarHBondContact O-N 3.42Å; K514-H517 WeakPolarHBondContact O-CB 3.35Å; K514-H517 PolarHBondContact O-N 3.16Å; K514-E518 WeakPolarHBondContact CE-OE1 3.42Å; K514-E518 IonicContact NZ-OE1 3.32Å; K514-E518 PolarHBondContact NZ-OE1 2.97Å; K514-E518 WeakPolarHBondContact O-CG 3.43Å; K514-E518 PolarHBondContact O-N 3.12Å
515	K	95.7	Very high	93.3	Very high	33 Å²	33	54.4 Å²	54.4	14%	0.143	26%	0.261	C	S	.	.	H	α-helix	trans	-65.1	-39.4	178.4	-72.1	-75.2	168.7	-172.9	0	113	E483 F486 H511 A512 L513 H517 E518 Y519	E483-K515 WeakPolarHBondContact OE2-CD 3.2Å; E483-K515 VanDerWaalsContact OE2-CE 3.24Å; E483-K515 WeakPolarHBondContact OE2-CE 3.25Å; E483-K515 IonicContact OE2-NZ 2.76Å; E483-K515 PolarHBondContact OE2-NZ 3.39Å; F486-K515 HydrophobicContact CD2-CB 3.67Å; F486-K515 HydrophobicContact CD2-CG 4.33Å; F486-K515 HydrophobicContact CE2-CB 3.27Å; F486-K515 HydrophobicContact CE2-CG 4.08Å; F486-K515 HydrophobicContact CZ-CB 3.82Å; H511-K515 WeakPolarHBondContact O-CG 3.46Å; H511-K515 PolarHBondContact O-N 3.23Å; A512-K515 PolarHBondContact O-N 3.48Å; L513-K515 VanDerWaalsContact C-N 3.34Å; L513-K515 PolarHBondContact O-N 3.4Å; K515-H517 VanDerWaalsContact C-N 3.27Å; K515-H517 PolarHBondContact O-N 3.32Å; K515-E518 WeakPolarHBondContact CD-OE2 3.38Å; K515-E518 WeakPolarHBondContact CE-OE2 3.07Å; K515-E518 IonicContact NZ-OE2 3.73Å; K515-E518 PolarHBondContact NZ-OE2 2.84Å; K515-E518 PolarHBondContact O-N 3.44Å; K515-Y519 HydrophobicContact CD-CE2 4.39Å; K515-Y519 WeakPolarHBondContact O-CB 3.36Å; K515-Y519 WeakPolarHBondContact O-CD2 3.37Å; K515-Y519 PolarHBondContact O-N 2.87Å
516	M	95.6	Very high	93	Very high	3 Å²	3	60 Å²	60	2%	0.015	28%	0.28	C	S	.	.	H	α-helix	trans	-56.7	-43.8	172.9	-74.3	175.1	69.8	0	0	111.3	F486 A512 L513 Y519 D520 I521 I528 F530 Y549	F486-M516 HydrophobicContact CE1-CG 3.69Å; F486-M516 HydrophobicContact CZ-CG 3.88Å; A512-M516 VanDerWaalsContact O-CG 3.28Å; A512-M516 WeakPolarHBondContact O-CG 3.48Å; A512-M516 PolarHBondContact O-N 2.98Å; L513-M516 PolarHBondContact O-N 3.23Å; M516-Y519 PolarHBondContact O-N 3.2Å; M516-D520 PolarHBondContact O-N 2.62Å; M516-I521 HydrophobicContact CB-CB 4.34Å; M516-I521 HydrophobicContact CE-CG2 4.09Å; M516-I521 PolarHBondContact O-N 3.25Å; M516-I528 HydrophobicContact CE-CB 3.94Å; M516-I528 HydrophobicContact CE-CG1 4.33Å; M516-I528 HydrophobicContact CE-CG2 4.4Å; M516-I528 HydrophobicContact CG-CG1 4.3Å; M516-I528 HydrophobicContact SD-CB 3.92Å; M516-I528 HydrophobicContact SD-CG1 4.26Å; M516-I528 HydrophobicContact SD-CG2 3.77Å; M516-F530 HydrophobicContact SD-CE2 4.2Å; M516-F530 HydrophobicContact SD-CZ 3.94Å; M516-Y549 HydrophobicContact CE-CD1 4Å; M516-Y549 HydrophobicContact CE-CE1 3.76Å; M516-Y549 HydrophobicContact SD-CD1 4.44Å; M516-Y549 HydrophobicContact SD-CE1 4.13Å
517	H	93.2	Very high	93	Very high	81 Å²	81	59.3 Å²	59.3	38%	0.375	28%	0.277	S	S	.	.	H	α-helix	trans	-65.8	-45.9	175	176.9	-83.4	0	0	0	112.3	C52 L513 K514 K515 Y519 D520	C52-H517 PolarHBondContact O-CD2 3.44Å; C52-H517 PolarHBondContact O-NE2 2.92Å; L513-H517 PolarHBondContact O-N 3.03Å; L513-H517 VanDerWaalsContact O-N 3.12Å; K514-H517 WeakPolarHBondContact O-CB 3.35Å; K514-H517 PolarHBondContact O-N 3.16Å; K515-H517 VanDerWaalsContact C-N 3.27Å; K515-H517 PolarHBondContact O-N 3.32Å; H517-Y519 PolarHBondContact O-N 2.93Å; H517-D520 PolarHBondContact O-N 2.86Å; H517-D520 VanDerWaalsContact O-N 3.16Å
518	E	95.4	Very high	93.1	Very high	87 Å²	87	54.6 Å²	54.6	41%	0.407	25%	0.251	S	S	.	.	H	α-helix	trans	-57.2	-30.2	176.5	-72.1	173.1	-167.4	0	0	113	K514 K515	K514-E518 WeakPolarHBondContact CE-OE1 3.42Å; K514-E518 IonicContact NZ-OE1 3.32Å; K514-E518 PolarHBondContact NZ-OE1 2.97Å; K514-E518 WeakPolarHBondContact O-CG 3.43Å; K514-E518 PolarHBondContact O-N 3.12Å; K515-E518 WeakPolarHBondContact CD-OE2 3.38Å; K515-E518 WeakPolarHBondContact CE-OE2 3.07Å; K515-E518 IonicContact NZ-OE2 3.73Å; K515-E518 PolarHBondContact NZ-OE2 2.84Å; K515-E518 PolarHBondContact O-N 3.44Å
519	Y	94.8	Very high	93.1	Very high	44 Å²	44	54.8 Å²	54.8	17%	0.173	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	6.2	-178.8	-83	-93.3	0	0	0	114.5	E483 F486 K487 K490 K515 M516 H517 I521	E483-Y519 PolarHBondContact OE1-OH 2.92Å; F486-Y519 HydrophobicContact CB-CD1 3.95Å; F486-Y519 HydrophobicContact CB-CD2 3.73Å; F486-Y519 HydrophobicContact CB-CE1 4Å; F486-Y519 HydrophobicContact CB-CE2 3.77Å; F486-Y519 HydrophobicContact CB-CG 3.82Å; F486-Y519 HydrophobicContact CG-CD2 4.2Å; F486-Y519 HydrophobicContact CG-CG 4.45Å; K487-Y519 HydrophobicContact CG-CE1 4.28Å; K487-Y519 WeakPolarHBondContact CG-OH 3.33Å; K490-Y519 HydrophobicContact CB-CD1 4.32Å; K515-Y519 HydrophobicContact CD-CE2 4.39Å; K515-Y519 WeakPolarHBondContact O-CB 3.36Å; K515-Y519 WeakPolarHBondContact O-CD2 3.37Å; K515-Y519 PolarHBondContact O-N 2.87Å; M516-Y519 PolarHBondContact O-N 3.2Å; H517-Y519 PolarHBondContact O-N 2.93Å; Y519-I521 VanDerWaalsContact C-N 3.32Å; Y519-I521 PolarHBondContact O-N 3.34Å
520	D	92.7	Very high	93.2	Very high	122 Å²	122	54.8 Å²	54.8	65%	0.652	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.7	36	-175.7	-53.3	-58.1	0	0	0	114.4	K490 M516 H517	K490-D520 IonicContact NZ-OD2 2.84Å; M516-D520 PolarHBondContact O-N 2.62Å; H517-D520 PolarHBondContact O-N 2.86Å; H517-D520 VanDerWaalsContact O-N 3.16Å
521	I	93.2	Very high	93.3	Very high	10 Å²	10	50 Å²	50	5%	0.051	24%	0.236	C	C	.	.			trans	-94.1	112.4	179.2	-61.4	166.7	0	0	0	109.5	F486 I489 M516 Y519 I528	F486-I521 HydrophobicContact CD1-CD1 3.4Å; F486-I521 VanDerWaalsContact CD1-CD1 3.4Å; F486-I521 HydrophobicContact CE1-CD1 3.85Å; I489-I521 HydrophobicContact CB-CD1 4.3Å; I489-I521 HydrophobicContact CD1-CD1 4.05Å; I489-I521 HydrophobicContact CG2-CD1 3.81Å; I489-I521 HydrophobicContact CG2-CG1 4.17Å; M516-I521 HydrophobicContact CB-CB 4.34Å; M516-I521 HydrophobicContact CE-CG2 4.09Å; M516-I521 PolarHBondContact O-N 3.25Å; Y519-I521 VanDerWaalsContact C-N 3.32Å; Y519-I521 PolarHBondContact O-N 3.34Å; I521-I528 HydrophobicContact CG2-CG1 4.39Å
522	S	91.6	Very high	93.2	Very high	38 Å²	38	48.2 Å²	48.2	27%	0.266	23%	0.228	S	C	.	.			trans	-81.6	146.1	-179.3	-178.8	0	0	0	0	111.4	K524 D525	S522-K524 PolarHBondContact O-N 3.45Å; S522-K524 VanDerWaalsContact O-N 3.12Å; S522-K524 PolarHBondContact OG-N 3.43Å; S522-D525 WeakPolarHBondContact CB-OD2 3.37Å; S522-D525 PolarHBondContact N-OD2 2.67Å; S522-D525 WeakPolarHBondContact O-CB 3.32Å; S522-D525 PolarHBondContact O-N 3.28Å
523	P	89.6	Confident	93.1	Very high	30 Å²	30	49.4 Å²	49.4	20%	0.195	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-53.4	-31.2	168.1	-22.4	30.8	0	0	0	112.9	D525 R526 G548 Y549	P523-D525 PolarHBondContact O-N 3.49Å; P523-R526 PolarHBondContact O-N 3.48Å; P523-G548 WeakPolarHBondContact CB-O 3.44Å; P523-Y549 HydrophobicContact CB-CD1 4Å; P523-Y549 HydrophobicContact CB-CE1 4.25Å; P523-Y549 HydrophobicContact CB-CG 4.31Å; P523-Y549 HydrophobicContact CG-CD1 3.87Å; P523-Y549 HydrophobicContact CG-CE1 3.6Å; P523-Y549 HydrophobicContact CG-CE2 4.26Å; P523-Y549 HydrophobicContact CG-CG 4.33Å
524	K	86.2	Confident	93.1	Very high	160 Å²	160	49.1 Å²	49.1	70%	0.696	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-66.9	-23.6	179.4	-65.2	-177	-178.8	175.9	0	113.1	S522 R526	S522-K524 PolarHBondContact O-N 3.45Å; S522-K524 VanDerWaalsContact O-N 3.12Å; S522-K524 PolarHBondContact OG-N 3.43Å; K524-R526 PolarHBondContact O-N 3.49Å
525	D	86.8	Confident	92.9	Very high	67 Å²	67	42.9 Å²	42.9	36%	0.358	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-70.7	-19	-179.7	-54.6	-29.7	0	0	0	111.6	S522 P523 L527	S522-D525 WeakPolarHBondContact CB-OD2 3.37Å; S522-D525 PolarHBondContact N-OD2 2.67Å; S522-D525 WeakPolarHBondContact O-CB 3.32Å; S522-D525 PolarHBondContact O-N 3.28Å; P523-D525 PolarHBondContact O-N 3.49Å; D525-L527 HydrophobicContact CB-CD1 3.99Å; D525-L527 HydrophobicContact CB-CG 3.76Å; D525-L527 PolarHBondContact O-N 3.46Å
526	R	85.8	Confident	92.8	Very high	152 Å²	152	41.6 Å²	41.6	57%	0.574	20%	0.201	S	C	*	.			trans	54.1	22.8	179.8	-59.9	-176.2	-176.9	178.4	12.4	114.3	D232 P523 K524	D232-R526 IonicContact OD2-CZ 3.69Å; D232-R526 IonicContact OD2-NE 3.89Å; D232-R526 IonicContact OD2-NH1 2.86Å; D232-R526 PolarHBondContact OD2-NH1 3.39Å; P523-R526 PolarHBondContact O-N 3.48Å; K524-R526 PolarHBondContact O-N 3.49Å
527	L	90	Very high	92.5	Very high	9 Å²	9	41.5 Å²	41.5	5%	0.047	20%	0.2	C	C	.	.			trans	-78.4	-36.3	178.5	-53.9	179.3	0	0	0	112.3	I489 G495 S498 V499 D525	I489-L527 HydrophobicContact CG2-CD1 3.76Å; G495-L527 VanDerWaalsContact CA-CD2 3.42Å; S498-L527 CarbonylContact C-O 3.57Å; S498-L527 WeakPolarHBondContact CA-O 3.28Å; V499-L527 PolarHBondContact N-O 3.2Å; D525-L527 HydrophobicContact CB-CD1 3.99Å; D525-L527 HydrophobicContact CB-CG 3.76Å; D525-L527 PolarHBondContact O-N 3.46Å
528	I	95.4	Very high	92.6	Very high	5 Å²	5	38 Å²	38	3%	0.026	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	127.3	178	-57	-61.1	0	0	0	109.4	V485 F486 I489 V499 I501 M516 I521 F530	V485-I528 HydrophobicContact CG1-CD1 4.38Å; F486-I528 HydrophobicContact CE1-CD1 4.1Å; F486-I528 HydrophobicContact CE1-CG1 4.08Å; I489-I528 HydrophobicContact CD1-CD1 3.73Å; I489-I528 HydrophobicContact CD1-CG1 4.39Å; V499-I528 HydrophobicContact CB-CD1 4.08Å; V499-I528 WeakPolarHBondContact O-CA 3.37Å; I501-I528 HydrophobicContact CD1-CG2 3.63Å; I501-I528 HydrophobicContact CG1-CG2 4.05Å; M516-I528 HydrophobicContact CE-CB 3.94Å; M516-I528 HydrophobicContact CE-CG1 4.33Å; M516-I528 HydrophobicContact CE-CG2 4.4Å; M516-I528 HydrophobicContact CG-CG1 4.3Å; M516-I528 HydrophobicContact SD-CB 3.92Å; M516-I528 HydrophobicContact SD-CG1 4.26Å; M516-I528 HydrophobicContact SD-CG2 3.77Å; I521-I528 HydrophobicContact CG2-CG1 4.39Å; I528-F530 HydrophobicContact CG2-CE2 4.31Å; I528-F530 HydrophobicContact CG2-CZ 4.25Å
529	C	95.5	Very high	92.5	Very high	8 Å²	8	33.9 Å²	33.9	5%	0.054	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	150.3	174.5	-59.9	0	0	0	0	110.1	V499 M500 I501 S550 Y552	V499-C529 PolarHBondContact O-N 2.8Å; M500-C529 CarbonylContact C-O 3.59Å; M500-C529 VanDerWaalsContact CA-O 3.28Å; M500-C529 WeakPolarHBondContact CA-O 3.46Å; M500-C529 HydrophobicContact CB-CB 4.49Å; M500-C529 HydrophobicContact CE-CB 4.46Å; I501-C529 PolarHBondContact N-O 3.01Å; C529-S550 CarbonylContact C-O 3.51Å; C529-S550 VanDerWaalsContact CA-O 3.26Å; C529-S550 WeakPolarHBondContact CA-O 3.38Å; C529-S550 PolarHBondContact SG-OG 2.81Å; C529-Y552 HydrophobicContact CB-CD2 3.95Å; C529-Y552 HydrophobicContact CB-CE2 3.8Å
530	F	97.2	Very high	92.5	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	136.4	174.7	-63.6	-86.9	0	0	0	110.3	I501 V509 A512 L513 M516 I528 L544 Y549 S550 V551 Y552	I501-F530 HydrophobicContact CB-CD1 4.05Å; I501-F530 HydrophobicContact CB-CE1 4.28Å; I501-F530 HydrophobicContact CD1-CE1 4.03Å; I501-F530 HydrophobicContact CG2-CD1 4.29Å; I501-F530 HydrophobicContact CG2-CE1 4.39Å; I501-F530 WeakPolarHBondContact O-CA 3.24Å; V509-F530 HydrophobicContact CG1-CD1 4.21Å; V509-F530 HydrophobicContact CG1-CE1 4.05Å; V509-F530 HydrophobicContact CG2-CD1 4.43Å; A512-F530 HydrophobicContact CB-CE1 4.07Å; A512-F530 HydrophobicContact CB-CZ 4.45Å; L513-F530 HydrophobicContact CD2-CE2 4.13Å; L513-F530 HydrophobicContact CD2-CZ 3.77Å; L513-F530 HydrophobicContact CG-CZ 4.27Å; M516-F530 HydrophobicContact SD-CE2 4.2Å; M516-F530 HydrophobicContact SD-CZ 3.94Å; I528-F530 HydrophobicContact CG2-CE2 4.31Å; I528-F530 HydrophobicContact CG2-CZ 4.25Å; F530-L544 HydrophobicContact CB-CD1 3.73Å; F530-L544 HydrophobicContact CD1-CD1 4Å; F530-L544 HydrophobicContact CD2-CD1 3.88Å; F530-L544 HydrophobicContact CE2-CD1 4.5Å; F530-L544 HydrophobicContact CG-CD1 3.59Å; F530-Y549 AromaticContact CE2-CD1 3.76Å; F530-Y549 HydrophobicContact CE2-CD1 3.76Å; F530-Y549 HydrophobicContact CE2-CE1 4.5Å; F530-Y549 HydrophobicContact CE2-CG 4.17Å; F530-S550 PolarHBondContact N-O 2.89Å; F530-V551 CarbonylContact O-C 3.52Å; F530-V551 WeakPolarHBondContact O-CA 3.29Å; F530-Y552 PolarHBondContact O-N 3.14Å
531	G	95.9	Very high	92.6	Very high	4 Å²	4	26 Å²	26	4%	0.041	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	130.6	-178.1	0	0	0	0	0	112.2	I501 A502 S503 Y552	I501-G531 PolarHBondContact O-N 3.26Å; A502-G531 CarbonylContact C-O 3.5Å; A502-G531 VanDerWaalsContact CA-O 3.3Å; A502-G531 WeakPolarHBondContact CA-O 3.4Å; S503-G531 PolarHBondContact N-O 3.46Å; G531-Y552 WeakPolarHBondContact CA-O 3.46Å
532	Q	95.3	Very high	92.7	Very high	5 Å²	5	25.8 Å²	25.8	2%	0.023	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	159.8	169.9	-70.2	80	35.7	0	0	110.8	S503 C537 S541 Y552 K553 Y554	S503-Q532 WeakPolarHBondContact O-CG 3.36Å; S503-Q532 PolarHBondContact O-NE2 2.78Å; Q532-C537 HydrophobicContact CG-CB 4.15Å; Q532-S541 PolarHBondContact OE1-OG 2.68Å; Q532-Y552 PolarHBondContact N-O 3.41Å; Q532-K553 HydrophobicContact CB-CD 4.14Å; Q532-K553 CarbonylContact O-C 3.38Å; Q532-K553 WeakPolarHBondContact O-CA 2.79Å; Q532-Y554 PolarHBondContact O-N 2.88Å
533	L	94.2	Very high	92.8	Very high	25 Å²	25	24.1 Å²	24.1	13%	0.131	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	146.1	172.1	-60.8	179.5	0	0	0	111.5	H504 G535 M536 Y554	H504-L533 PolarHBondContact NE2-N 3.07Å; L533-G535 PolarHBondContact O-N 3.27Å; L533-M536 HydrophobicContact CB-CB 4.44Å; L533-M536 HydrophobicContact CB-CG 4.42Å; L533-M536 HydrophobicContact CB-SD 3.98Å; L533-M536 HydrophobicContact CD1-SD 3.81Å; L533-M536 HydrophobicContact CG-SD 4.45Å; L533-M536 PolarHBondContact O-N 3.27Å; L533-Y554 HydrophobicContact CD2-CD1 4.01Å; L533-Y554 HydrophobicContact CD2-CG 3.95Å
534	L	95	Very high	93.1	Very high	16 Å²	16	22.7 Å²	22.7	8%	0.084	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	134.6	168.9	178.4	65.5	0	0	0	110.3	A123 L133 M536 Y554 V555	A123-L534 HydrophobicContact CB-CD2 4.13Å; L133-L534 HydrophobicContact CD2-CD1 4.02Å; L133-L534 HydrophobicContact CD2-CD2 3.7Å; L534-M536 VanDerWaalsContact C-N 3.31Å; L534-Y554 VanDerWaalsContact CB-O 3.26Å; L534-Y554 WeakPolarHBondContact CB-O 3.41Å; L534-Y554 PolarHBondContact N-O 3.38Å; L534-V555 HydrophobicContact CD2-CG1 4.42Å
535	G	92.8	Very high	93.5	Very high	2 Å²	2	15.6 Å²	15.6	2%	0.021	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.1	-9.6	-179.1	0	0	0	0	0	114.6	H120 L533	H120-G535 PolarHBondContact CE1-O 2.54Å; H120-G535 VanDerWaalsContact CE1-O 3.28Å; H120-G535 PolarHBondContact NE2-O 3.39Å; H120-G535 VanDerWaalsContact NE2-O 3.1Å; L533-G535 PolarHBondContact O-N 3.27Å
536	M	91.7	Very high	93.7	Very high	6 Å²	6	17.8 Å²	17.8	3%	0.03	8%	0.082	C	C	.	.	S	Bend	trans	-120.6	143	-176	-60.7	178.2	67.4	0	0	112.1	F121 L533 L534 D538 K553 E573	F121-M536 HydrophobicContact CD1-CG 4.48Å; F121-M536 HydrophobicContact CE1-CG 3.88Å; F121-M536 HydrophobicContact CE1-SD 4.41Å; L533-M536 HydrophobicContact CB-CB 4.44Å; L533-M536 HydrophobicContact CB-CG 4.42Å; L533-M536 HydrophobicContact CB-SD 3.98Å; L533-M536 HydrophobicContact CD1-SD 3.81Å; L533-M536 HydrophobicContact CG-SD 4.45Å; L533-M536 PolarHBondContact O-N 3.27Å; L534-M536 VanDerWaalsContact C-N 3.31Å; M536-D538 PolarHBondContact O-N 2.64Å; M536-K553 PolarHBondContact O-NZ 2.92Å; M536-E573 HydrophobicContact CE-CG 4.48Å
537	C	91.3	Very high	94	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.062	C	C	.	.			trans	53.7	42.2	173.7	-55	0	0	0	0	115	H504 Q532 Q539 I540 S541 C580 E584	H504-C537 WeakPolarHBondContact CB-SG 3.42Å; H504-C537 VanDerWaalsContact CD2-SG 3.55Å; H504-C537 PolarHBondContact O-SG 3.13Å; H504-C537 VanDerWaalsContact O-SG 3.42Å; Q532-C537 HydrophobicContact CG-CB 4.15Å; C537-Q539 VanDerWaalsContact C-OE1 3.24Å; C537-Q539 VanDerWaalsContact CA-OE1 3.3Å; C537-Q539 PolarHBondContact O-N 3.43Å; C537-I540 HydrophobicContact CB-CB 4.24Å; C537-I540 HydrophobicContact CB-CD1 4.01Å; C537-I540 HydrophobicContact CB-CG1 4.2Å; C537-I540 WeakPolarHBondContact O-CB 3.37Å; C537-I540 PolarHBondContact O-N 2.96Å; C537-S541 PolarHBondContact O-N 3.31Å; C537-S541 VanDerWaalsContact O-N 3.09Å; C537-S541 PolarHBondContact O-OG 2.85Å; C537-C580 PolarHBondContact SG-SG 3.45Å; C537-E584 WeakPolarHBondContact CA-OE1 3.1Å; C537-E584 VanDerWaalsContact N-CD 3.3Å; C537-E584 PolarHBondContact N-OE1 3.44Å; C537-E584 PolarHBondContact SG-OE1 3.01Å
538	D	93.8	Very high	94.1	Very high	7 Å²	7	13.3 Å²	13.3	4%	0.037	8%	0.084	C	C	.	.	H	α-helix	trans	-62.3	-31	179.5	-74.1	-18.3	0	0	0	112.8	K69 M536 I540 S541 F542 K553	K69-D538 WeakPolarHBondContact CE-OD2 3.46Å; K69-D538 IonicContact NZ-OD2 3.11Å; K69-D538 PolarHBondContact NZ-OD2 2.89Å; M536-D538 PolarHBondContact O-N 2.64Å; D538-I540 PolarHBondContact O-N 3.1Å; D538-S541 PolarHBondContact O-N 3.18Å; D538-F542 HydrophobicContact CB-CD2 3.8Å; D538-F542 HydrophobicContact CB-CE2 3.89Å; D538-F542 WeakPolarHBondContact O-CD2 2.9Å; D538-F542 PolarHBondContact O-N 2.8Å; D538-K553 WeakPolarHBondContact OD1-CE 3.43Å; D538-K553 IonicContact OD1-NZ 3.67Å; D538-K553 PolarHBondContact OD1-NZ 3.3Å
539	Q	93.8	Very high	94.1	Very high	2 Å²	2	15 Å²	15	1%	0.009	9%	0.09	C	C	.	.	H	α-helix	trans	-60.6	-25.5	171.2	77.3	-74.7	-1.1	0	0	113.9	F59 A65 C537 T543 L587	F59-Q539 WeakPolarHBondContact CD1-O 3.49Å; F59-Q539 WeakPolarHBondContact O-CB 3.45Å; F59-Q539 WeakPolarHBondContact O-CG 3.36Å; A65-Q539 VanDerWaalsContact CB-CA 3.48Å; A65-Q539 HydrophobicContact CB-CB 3.75Å; C537-Q539 VanDerWaalsContact C-OE1 3.24Å; C537-Q539 VanDerWaalsContact CA-OE1 3.3Å; C537-Q539 PolarHBondContact O-N 3.43Å; Q539-T543 WeakPolarHBondContact O-CB 3.33Å; Q539-T543 PolarHBondContact O-OG1 3.35Å; Q539-L587 HydrophobicContact CB-CD1 3.49Å; Q539-L587 VanDerWaalsContact CB-CD1 3.49Å; Q539-L587 HydrophobicContact CG-CD1 3.64Å
540	I	94.2	Very high	94	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-84.3	-55.2	173.1	-60.8	-179	0	0	0	108.7	F59 H504 E506 V509 C537 D538 F542 T543 L544	F59-I540 HydrophobicContact CD1-CG1 4.49Å; F59-I540 HydrophobicContact CE1-CG2 4.29Å; F59-I540 HydrophobicContact CZ-CG2 4.5Å; H504-I540 WeakPolarHBondContact O-CD1 3.37Å; E506-I540 HydrophobicContact CB-CD1 4.22Å; E506-I540 HydrophobicContact CG-CD1 4.46Å; V509-I540 HydrophobicContact CG1-CG2 4.09Å; V509-I540 HydrophobicContact CG2-CG2 4.12Å; C537-I540 HydrophobicContact CB-CB 4.24Å; C537-I540 HydrophobicContact CB-CD1 4.01Å; C537-I540 HydrophobicContact CB-CG1 4.2Å; C537-I540 WeakPolarHBondContact O-CB 3.37Å; C537-I540 PolarHBondContact O-N 2.96Å; D538-I540 PolarHBondContact O-N 3.1Å; I540-F542 PolarHBondContact O-N 3.28Å; I540-T543 PolarHBondContact O-N 2.98Å; I540-L544 HydrophobicContact CG2-CD1 3.71Å; I540-L544 HydrophobicContact CG2-CG 4.31Å; I540-L544 WeakPolarHBondContact O-CB 3.37Å; I540-L544 VanDerWaalsContact O-CG 3.28Å; I540-L544 WeakPolarHBondContact O-CG 3.34Å; I540-L544 PolarHBondContact O-N 2.95Å
541	S	95.4	Very high	93.9	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-60.7	-49.3	-171.2	-55.5	0	0	0	0	113.3	Q532 C537 D538 S545 K553	Q532-S541 PolarHBondContact OE1-OG 2.68Å; C537-S541 PolarHBondContact O-N 3.31Å; C537-S541 VanDerWaalsContact O-N 3.09Å; C537-S541 PolarHBondContact O-OG 2.85Å; D538-S541 PolarHBondContact O-N 3.18Å; S541-S545 WeakPolarHBondContact O-CB 3.22Å; S541-S545 PolarHBondContact O-N 3.24Å; S541-K553 WeakPolarHBondContact OG-CE 3.18Å; S541-K553 PolarHBondContact OG-NZ 3.15Å
542	F	95.2	Very high	93.9	Very high	5 Å²	5	15 Å²	15	2%	0.022	9%	0.089	C	C	.	.	H	α-helix	trans	-74	-35.7	-177.1	-69.1	-72.8	0	0	0	111.7	L64 A65 A68 L137 Y140 V142 D538 I540 S545 Q546	L64-F542 VanDerWaalsContact CD2-C 3.47Å; L64-F542 HydrophobicContact CD2-CB 4.01Å; A65-F542 VanDerWaalsContact O-CD2 3.28Å; A65-F542 WeakPolarHBondContact O-CD2 3.35Å; A68-F542 HydrophobicContact CB-CD1 4.29Å; A68-F542 HydrophobicContact CB-CE1 3.56Å; A68-F542 HydrophobicContact CB-CE2 4.3Å; A68-F542 HydrophobicContact CB-CZ 3.56Å; L137-F542 HydrophobicContact CD2-CE1 4.29Å; L137-F542 HydrophobicContact CD2-CZ 3.75Å; Y140-F542 HydrophobicContact CG-CE1 4.49Å; V142-F542 HydrophobicContact CB-CE1 4.32Å; V142-F542 HydrophobicContact CG2-CD1 3.71Å; V142-F542 HydrophobicContact CG2-CE1 3.66Å; V142-F542 HydrophobicContact CG2-CZ 4.42Å; D538-F542 HydrophobicContact CB-CD2 3.8Å; D538-F542 HydrophobicContact CB-CE2 3.89Å; D538-F542 WeakPolarHBondContact O-CD2 2.9Å; D538-F542 PolarHBondContact O-N 2.8Å; I540-F542 PolarHBondContact O-N 3.28Å; F542-S545 PolarHBondContact O-N 3.09Å; F542-Q546 VanDerWaalsContact O-CG 3.29Å; F542-Q546 WeakPolarHBondContact O-CG 3.14Å; F542-Q546 PolarHBondContact O-N 2.78Å
543	T	94.6	Very high	94	Very high	3 Å²	3	14.7 Å²	14.7	2%	0.018	9%	0.088	C	C	.	.	H	α-helix	trans	-62.1	-47.1	175.5	-53.1	0	0	0	0	111.5	F57 F59 L64 Q539 I540 S545 Q546 A547	F57-T543 HydrophobicContact CB-CG2 4.13Å; F57-T543 HydrophobicContact CD2-CG2 3.4Å; F57-T543 VanDerWaalsContact CD2-CG2 3.4Å; F57-T543 HydrophobicContact CE2-CG2 4.13Å; F57-T543 HydrophobicContact CG-CG2 4.05Å; F59-T543 HydrophobicContact CD1-CG2 3.86Å; F59-T543 HydrophobicContact CE1-CG2 4.16Å; L64-T543 VanDerWaalsContact CD2-CA 3.5Å; Q539-T543 WeakPolarHBondContact O-CB 3.33Å; Q539-T543 PolarHBondContact O-OG1 3.35Å; I540-T543 PolarHBondContact O-N 2.98Å; T543-S545 VanDerWaalsContact C-N 3.31Å; T543-S545 PolarHBondContact O-N 3.31Å; T543-Q546 PolarHBondContact O-N 3.06Å; T543-A547 WeakPolarHBondContact O-CB 3.38Å; T543-A547 PolarHBondContact O-N 2.73Å
544	L	95.4	Very high	94	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-59.5	-42.9	174.4	-73.9	176.1	0	0	0	112.1	F57 F59 V509 L513 F530 I540 A547 G548 Y549 V551	F57-L544 HydrophobicContact CE2-CD2 4.03Å; F57-L544 HydrophobicContact CZ-CD2 3.92Å; F59-L544 HydrophobicContact CE1-CD2 4.2Å; F59-L544 HydrophobicContact CE1-CG 4.07Å; F59-L544 HydrophobicContact CZ-CD2 4.17Å; F59-L544 HydrophobicContact CZ-CG 4.4Å; V509-L544 HydrophobicContact CG1-CD1 3.92Å; V509-L544 HydrophobicContact CG1-CD2 4.25Å; L513-L544 HydrophobicContact CD1-CD2 3.92Å; L513-L544 HydrophobicContact CD2-CD2 3.91Å; L513-L544 HydrophobicContact CG-CD2 4.38Å; F530-L544 HydrophobicContact CB-CD1 3.73Å; F530-L544 HydrophobicContact CD1-CD1 4Å; F530-L544 HydrophobicContact CD2-CD1 3.88Å; F530-L544 HydrophobicContact CE2-CD1 4.5Å; F530-L544 HydrophobicContact CG-CD1 3.59Å; I540-L544 HydrophobicContact CG2-CD1 3.71Å; I540-L544 HydrophobicContact CG2-CG 4.31Å; I540-L544 WeakPolarHBondContact O-CB 3.37Å; I540-L544 VanDerWaalsContact O-CG 3.28Å; I540-L544 WeakPolarHBondContact O-CG 3.34Å; I540-L544 PolarHBondContact O-N 2.95Å; L544-A547 CarbonylContact O-C 3.53Å; L544-A547 PolarHBondContact O-N 3.06Å; L544-G548 PolarHBondContact O-N 2.99Å; L544-Y549 HydrophobicContact CD2-CD2 4.07Å; L544-Y549 HydrophobicContact CD2-CG 4.34Å; L544-Y549 WeakPolarHBondContact O-CB 3.44Å; L544-Y549 WeakPolarHBondContact O-CD2 3.38Å; L544-Y549 PolarHBondContact O-N 3.05Å; L544-V551 HydrophobicContact CB-CG2 3.53Å; L544-V551 HydrophobicContact CD1-CG2 4.42Å
545	S	93.8	Very high	94	Very high	12 Å²	12	14 Å²	14	8%	0.084	8%	0.083	C	C	.	.	H	α-helix	trans	-64.3	-43.2	-179.4	-179.1	0	0	0	0	112.2	Y140 G141 S541 F542 T543 A547 G548	Y140-S545 PolarHBondContact O-OG 3.41Å; G141-S545 WeakPolarHBondContact CA-OG 3.38Å; G141-S545 PolarHBondContact O-OG 3.31Å; S541-S545 WeakPolarHBondContact O-CB 3.22Å; S541-S545 PolarHBondContact O-N 3.24Å; F542-S545 PolarHBondContact O-N 3.09Å; T543-S545 VanDerWaalsContact C-N 3.31Å; T543-S545 PolarHBondContact O-N 3.31Å; S545-A547 VanDerWaalsContact C-N 3.28Å; S545-A547 PolarHBondContact O-N 2.84Å; S545-G548 PolarHBondContact O-N 2.88Å
546	Q	92.1	Very high	94.1	Very high	113 Å²	113	13.9 Å²	13.9	53%	0.528	8%	0.082	S	C	.	.	H	α-helix	trans	-67.7	-29.4	175.6	-65.1	-54.6	-60.2	0	0	112.4	L64 Y140 F542 T543 G548	L64-Q546 HydrophobicContact CD1-CB 4.08Å; L64-Q546 HydrophobicContact CD1-CG 4.1Å; L64-Q546 HydrophobicContact CD2-CB 4.27Å; L64-Q546 HydrophobicContact CD2-CG 3.73Å; L64-Q546 HydrophobicContact CG-CB 4.49Å; L64-Q546 HydrophobicContact CG-CG 3.98Å; Y140-Q546 PolarHBondContact O-NE2 2.94Å; F542-Q546 VanDerWaalsContact O-CG 3.29Å; F542-Q546 WeakPolarHBondContact O-CG 3.14Å; F542-Q546 PolarHBondContact O-N 2.78Å; T543-Q546 PolarHBondContact O-N 3.06Å; Q546-G548 PolarHBondContact O-N 3.37Å
547	A	92.1	Very high	94.2	Very high	18 Å²	18	14.1 Å²	14.1	15%	0.149	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	4.8	170.3	0	0	0	0	0	113.5	F57 T543 L544 S545 Y549	F57-A547 HydrophobicContact CD1-CB 3.62Å; F57-A547 HydrophobicContact CE1-CB 3.55Å; F57-A547 HydrophobicContact CG-CB 4.29Å; F57-A547 HydrophobicContact CZ-CB 4.11Å; T543-A547 WeakPolarHBondContact O-CB 3.38Å; T543-A547 PolarHBondContact O-N 2.73Å; L544-A547 CarbonylContact O-C 3.53Å; L544-A547 PolarHBondContact O-N 3.06Å; S545-A547 VanDerWaalsContact C-N 3.28Å; S545-A547 PolarHBondContact O-N 2.84Å; A547-Y549 HydrophobicContact CB-CD2 3.84Å; A547-Y549 HydrophobicContact CB-CE2 3.92Å
548	G	91.9	Very high	94.3	Very high	49 Å²	49	14.1 Å²	14.1	51%	0.505	8%	0.082	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.4	5.4	174.2	0	0	0	0	0	115.4	P523 L544 S545 Q546	P523-G548 WeakPolarHBondContact CB-O 3.44Å; L544-G548 PolarHBondContact O-N 2.99Å; S545-G548 PolarHBondContact O-N 2.88Å; Q546-G548 PolarHBondContact O-N 3.37Å
549	Y	94.7	Very high	94.2	Very high	39 Å²	39	15.3 Å²	15.3	15%	0.153	9%	0.091	C	C	.	.			trans	-75.6	150.4	175.9	-64.8	-90.5	0	0	0	111.8	F57 L513 M516 P523 F530 L544 A547 V551	F57-Y549 AromaticContact CE1-CE2 3.81Å; F57-Y549 HydrophobicContact CE1-CE2 3.81Å; F57-Y549 HydrophobicContact CZ-CD2 4.47Å; F57-Y549 AromaticContact CZ-CE2 3.91Å; F57-Y549 HydrophobicContact CZ-CE2 3.91Å; L513-Y549 HydrophobicContact CD2-CD1 3.94Å; L513-Y549 HydrophobicContact CD2-CD2 4.35Å; L513-Y549 HydrophobicContact CD2-CE1 3.36Å; L513-Y549 HydrophobicContact CD2-CE2 3.86Å; L513-Y549 HydrophobicContact CD2-CG 4.4Å; M516-Y549 HydrophobicContact CE-CD1 4Å; M516-Y549 HydrophobicContact CE-CE1 3.76Å; M516-Y549 HydrophobicContact SD-CD1 4.44Å; M516-Y549 HydrophobicContact SD-CE1 4.13Å; P523-Y549 HydrophobicContact CB-CD1 4Å; P523-Y549 HydrophobicContact CB-CE1 4.25Å; P523-Y549 HydrophobicContact CB-CG 4.31Å; P523-Y549 HydrophobicContact CG-CD1 3.87Å; P523-Y549 HydrophobicContact CG-CE1 3.6Å; P523-Y549 HydrophobicContact CG-CE2 4.26Å; P523-Y549 HydrophobicContact CG-CG 4.33Å; F530-Y549 AromaticContact CE2-CD1 3.76Å; F530-Y549 HydrophobicContact CE2-CD1 3.76Å; F530-Y549 HydrophobicContact CE2-CE1 4.5Å; F530-Y549 HydrophobicContact CE2-CG 4.17Å; L544-Y549 HydrophobicContact CD2-CD2 4.07Å; L544-Y549 HydrophobicContact CD2-CG 4.34Å; L544-Y549 WeakPolarHBondContact O-CB 3.44Å; L544-Y549 WeakPolarHBondContact O-CD2 3.38Å; L544-Y549 PolarHBondContact O-N 3.05Å; A547-Y549 HydrophobicContact CB-CD2 3.84Å; A547-Y549 HydrophobicContact CB-CE2 3.92Å; Y549-V551 PolarHBondContact O-N 3.42Å
550	S	94	Very high	94.1	Very high	12 Å²	12	15.3 Å²	15.3	8%	0.084	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	112.6	175.3	-170.1	0	0	0	0	110	K143 C529 F530 Y552	K143-S550 PolarHBondContact NZ-OG 3.43Å; C529-S550 CarbonylContact C-O 3.51Å; C529-S550 VanDerWaalsContact CA-O 3.26Å; C529-S550 WeakPolarHBondContact CA-O 3.38Å; C529-S550 PolarHBondContact SG-OG 2.81Å; F530-S550 PolarHBondContact N-O 2.89Å; S550-Y552 WeakPolarHBondContact OG-CE2 3.43Å
551	V	95.5	Very high	93.8	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	140.6	-174.5	-177.2	0	0	0	0	111.4	V142 K143 F530 L544 Y549	V142-V551 HydrophobicContact CG1-CG1 4.32Å; V142-V551 HydrophobicContact CG2-CB 4.47Å; V142-V551 HydrophobicContact CG2-CG1 4.26Å; K143-V551 PolarHBondContact N-O 3.11Å; F530-V551 CarbonylContact O-C 3.52Å; F530-V551 WeakPolarHBondContact O-CA 3.29Å; L544-V551 HydrophobicContact CB-CG2 3.53Å; L544-V551 HydrophobicContact CD1-CG2 4.42Å; Y549-V551 PolarHBondContact O-N 3.42Å
552	Y	95.8	Very high	93.4	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	143.9	178	-66.9	-101.2	0	0	0	111.4	K143 I145 F235 R380 M500 C529 F530 G531 Q532 S550	K143-Y552 HydrophobicContact CB-CD1 3.44Å; K143-Y552 VanDerWaalsContact CB-CD1 3.44Å; K143-Y552 HydrophobicContact CB-CE1 3.4Å; K143-Y552 HydrophobicContact CB-CG 4.07Å; K143-Y552 HydrophobicContact CD-CD1 4.36Å; K143-Y552 HydrophobicContact CD-CE1 3.57Å; K143-Y552 HydrophobicContact CD-CE2 3.96Å; K143-Y552 WeakPolarHBondContact CD-OH 3.31Å; K143-Y552 HydrophobicContact CG-CE1 4.15Å; K143-Y552 PolarHBondContact NZ-OH 3.49Å; K143-Y552 CarbonylContact O-C 3.58Å; K143-Y552 VanDerWaalsContact O-CA 3.28Å; K143-Y552 WeakPolarHBondContact O-CA 3.25Å; I145-Y552 HydrophobicContact CG1-CD1 4.08Å; I145-Y552 HydrophobicContact CG1-CG 4.31Å; F235-Y552 AromaticContact CD2-CD1 3.68Å; F235-Y552 HydrophobicContact CD2-CD1 3.68Å; F235-Y552 AromaticContact CD2-CE1 3.42Å; F235-Y552 HydrophobicContact CD2-CE1 3.42Å; F235-Y552 VanDerWaalsContact CD2-CE1 3.42Å; F235-Y552 HydrophobicContact CD2-CG 4.44Å; F235-Y552 HydrophobicContact CE2-CD1 4.03Å; F235-Y552 AromaticContact CE2-CE1 3.53Å; F235-Y552 HydrophobicContact CE2-CE1 3.53Å; F235-Y552 HydrophobicContact CE2-CE2 4.11Å; F235-Y552 AromaticContact CE2-CZ 3.59Å; R380-Y552 PolarHBondContact NH1-OH 3.07Å; R380-Y552 PolarHBondContact NH2-OH 3.42Å; M500-Y552 HydrophobicContact CE-CD1 4.37Å; M500-Y552 HydrophobicContact CE-CD2 3.76Å; M500-Y552 HydrophobicContact CE-CE2 4.37Å; M500-Y552 HydrophobicContact CE-CG 3.77Å; C529-Y552 HydrophobicContact CB-CD2 3.95Å; C529-Y552 HydrophobicContact CB-CE2 3.8Å; F530-Y552 PolarHBondContact O-N 3.14Å; G531-Y552 WeakPolarHBondContact CA-O 3.46Å; Q532-Y552 PolarHBondContact N-O 3.41Å; S550-Y552 WeakPolarHBondContact OG-CE2 3.43Å
553	K	96	Very high	93.2	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	137.8	161.9	-70.8	-68.2	-162.4	-177.5	0	110.3	L137 V142 K143 S144 I145 Q532 M536 D538 S541 V555	L137-K553 HydrophobicContact CD1-CB 4.33Å; V142-K553 HydrophobicContact CG1-CB 4.3Å; V142-K553 HydrophobicContact CG1-CG 3.61Å; K143-K553 PolarHBondContact O-N 3.4Å; S144-K553 CarbonylContact C-O 3.59Å; S144-K553 WeakPolarHBondContact CA-O 3.09Å; I145-K553 PolarHBondContact N-O 3.17Å; Q532-K553 HydrophobicContact CB-CD 4.14Å; Q532-K553 CarbonylContact O-C 3.38Å; Q532-K553 WeakPolarHBondContact O-CA 2.79Å; M536-K553 PolarHBondContact O-NZ 2.92Å; D538-K553 WeakPolarHBondContact OD1-CE 3.43Å; D538-K553 IonicContact OD1-NZ 3.67Å; D538-K553 PolarHBondContact OD1-NZ 3.3Å; S541-K553 WeakPolarHBondContact OG-CE 3.18Å; S541-K553 PolarHBondContact OG-NZ 3.15Å; K553-V555 HydrophobicContact CB-CG2 4.04Å; K553-V555 WeakPolarHBondContact O-CG2 2.92Å; K553-V555 PolarHBondContact O-N 3.15Å
554	Y	95.2	Very high	92.9	Very high	25 Å²	25	21.9 Å²	21.9	10%	0.098	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	112.8	163.9	-165.3	-83.2	0	0	0	108.3	I145 D147 A237 D384 Q532 L533 L534 P556	I145-Y554 HydrophobicContact CB-CD2 4.2Å; I145-Y554 HydrophobicContact CD1-CD2 4.48Å; I145-Y554 HydrophobicContact CG2-CD2 3.91Å; I145-Y554 HydrophobicContact CG2-CE2 4.26Å; D147-Y554 HydrophobicContact CB-CD1 4.25Å; D147-Y554 HydrophobicContact CB-CE1 3.37Å; D147-Y554 HydrophobicContact CB-CE2 4.33Å; D147-Y554 VanDerWaalsContact CB-CZ 3.44Å; D147-Y554 WeakPolarHBondContact CB-OH 3.21Å; D147-Y554 PolarHBondContact OD2-OH 3.34Å; A237-Y554 HydrophobicContact CB-CE2 3.7Å; D384-Y554 PolarHBondContact OD2-OH 2.86Å; Q532-Y554 PolarHBondContact O-N 2.88Å; L533-Y554 HydrophobicContact CD2-CD1 4.01Å; L533-Y554 HydrophobicContact CD2-CG 3.95Å; L534-Y554 VanDerWaalsContact CB-O 3.26Å; L534-Y554 WeakPolarHBondContact CB-O 3.41Å; L534-Y554 PolarHBondContact N-O 3.38Å; Y554-P556 WeakPolarHBondContact O-CD 3.42Å
555	V	94.8	Very high	92.5	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	91.8	-168.2	-178.7	0	0	0	0	108.6	A123 L137 I145 L146 D147 L534 K553	A123-V555 HydrophobicContact CB-CG1 3.43Å; A123-V555 VanDerWaalsContact CB-CG1 3.43Å; L137-V555 HydrophobicContact CD1-CG2 4.18Å; I145-V555 PolarHBondContact O-N 3.3Å; L146-V555 HydrophobicContact CD2-CB 4.03Å; L146-V555 HydrophobicContact CD2-CG1 4.07Å; D147-V555 PolarHBondContact N-O 2.85Å; D147-V555 VanDerWaalsContact N-O 3.12Å; L534-V555 HydrophobicContact CD2-CG1 4.42Å; K553-V555 HydrophobicContact CB-CG2 4.04Å; K553-V555 WeakPolarHBondContact O-CG2 2.92Å; K553-V555 PolarHBondContact O-N 3.15Å
556	P	94.4	Very high	92.2	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	143.9	173.6	33.9	-39.7	0	0	0	110.6	F121 V122 A123 D147 S149 Y554 Y566	F121-P556 WeakPolarHBondContact O-CG 3.37Å; V122-P556 WeakPolarHBondContact CG1-O 2.87Å; V122-P556 HydrophobicContact CG2-CG 4.19Å; A123-P556 WeakPolarHBondContact CB-O 3.47Å; A123-P556 PolarHBondContact N-O 2.72Å; D147-P556 CarbonylContact O-C 3.55Å; D147-P556 VanDerWaalsContact O-CA 3.28Å; D147-P556 WeakPolarHBondContact O-CA 3.24Å; S149-P556 WeakPolarHBondContact OG-CA 3.49Å; S149-P556 WeakPolarHBondContact OG-CB 3.47Å; Y554-P556 WeakPolarHBondContact O-CD 3.42Å; P556-Y566 HydrophobicContact CB-CE1 4.03Å; P556-Y566 HydrophobicContact CB-CE2 3.93Å; P556-Y566 HydrophobicContact CG-CE1 3.7Å; P556-Y566 HydrophobicContact CG-CE2 4.19Å; P556-Y566 VanDerWaalsContact CG-CZ 3.48Å; P556-Y566 WeakPolarHBondContact CG-OH 3.45Å
557	Y	94.3	Very high	92	Very high	11 Å²	11	16.8 Å²	16.8	4%	0.043	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	154	172.2	78.7	-78.8	0	0	0	112.1	G124 I130 D147 Y148 S149 C222	G124-Y557 WeakPolarHBondContact O-CA 3.37Å; G124-Y557 WeakPolarHBondContact O-CB 3.26Å; I130-Y557 HydrophobicContact CD1-CD1 4.02Å; I130-Y557 HydrophobicContact CD1-CD2 4.09Å; I130-Y557 HydrophobicContact CD1-CE1 4.34Å; I130-Y557 HydrophobicContact CD1-CE2 4.38Å; I130-Y557 HydrophobicContact CD1-CG 3.89Å; I130-Y557 HydrophobicContact CG2-CD2 4.39Å; I130-Y557 HydrophobicContact CG2-CG 4.13Å; D147-Y557 VanDerWaalsContact O-CD1 3.23Å; D147-Y557 WeakPolarHBondContact O-CD1 3.4Å; D147-Y557 PolarHBondContact O-N 3.23Å; Y148-Y557 CarbonylContact C-O 3.38Å; Y148-Y557 WeakPolarHBondContact CA-O 3.28Å; Y148-Y557 HydrophobicContact CD2-CD1 4.5Å; Y148-Y557 AromaticContact CD2-CD2 3.8Å; Y148-Y557 HydrophobicContact CD2-CD2 3.8Å; Y148-Y557 HydrophobicContact CD2-CE1 4.13Å; Y148-Y557 AromaticContact CD2-CE2 3.39Å; Y148-Y557 HydrophobicContact CD2-CE2 3.39Å; Y148-Y557 HydrophobicContact CD2-CG 4.34Å; Y148-Y557 AromaticContact CD2-CZ 3.57Å; Y148-Y557 HydrophobicContact CE2-CD2 4.29Å; Y148-Y557 AromaticContact CE2-CE2 3.96Å; Y148-Y557 HydrophobicContact CE2-CE2 3.96Å; Y148-Y557 HydrophobicContact CG-CE2 4.44Å; S149-Y557 PolarHBondContact N-O 3.48Å; C222-Y557 PolarHBondContact SG-OH 3.3Å
558	G	93	Very high	91.8	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.091	C	C	.	.			trans	153.3	166	-179.1	0	0	0	0	0	112.6	Y118 G124 E125	Y118-G558 WeakPolarHBondContact CE2-O 3.33Å; Y118-G558 PolarHBondContact OH-O 2.71Å; G124-G558 PolarHBondContact O-N 2.66Å; E125-G558 WeakPolarHBondContact CA-O 3.36Å; E125-G558 CarbonylContact O-C 3.58Å; E125-G558 WeakPolarHBondContact O-CA 3.43Å
559	P	92.8	Very high	91.5	Very high	33 Å²	33	14.4 Å²	14.4	21%	0.214	7%	0.07	C	C	.	.			trans	-56.4	141.2	178.8	-24	34.2	0	0	0	112.1	E561 E562 V563	P559-E561 PolarHBondContact O-N 3.46Å; P559-E561 VanDerWaalsContact O-N 3.1Å; P559-E562 HydrophobicContact CB-CB 4.34Å; P559-E562 HydrophobicContact CB-CG 4.3Å; P559-E562 PolarHBondContact O-N 3.4Å; P559-V563 PolarHBondContact O-N 2.85Å
560	V	90.8	Very high	91.1	Very high	1 Å²	1	12.9 Å²	12.9	1%	0.006	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.7	-43.1	-177.1	180	0	0	0	0	112.6	R110 M113 K114 Y118 E125 E562 V563 L564	R110-V560 HydrophobicContact CG-CB 4.25Å; R110-V560 HydrophobicContact CG-CG1 4.17Å; M113-V560 HydrophobicContact CB-CG1 3.84Å; M113-V560 HydrophobicContact CG-CG1 4.36Å; K114-V560 HydrophobicContact CD-CG2 4.48Å; K114-V560 HydrophobicContact CG-CG2 4.03Å; Y118-V560 HydrophobicContact CD1-CG2 4.12Å; Y118-V560 HydrophobicContact CD2-CB 4.09Å; Y118-V560 HydrophobicContact CD2-CG1 4.16Å; Y118-V560 HydrophobicContact CD2-CG2 3.73Å; Y118-V560 HydrophobicContact CE1-CG2 4.03Å; Y118-V560 HydrophobicContact CE2-CB 4.13Å; Y118-V560 HydrophobicContact CE2-CG2 3.64Å; Y118-V560 HydrophobicContact CG-CG1 4.5Å; Y118-V560 HydrophobicContact CG-CG2 3.97Å; E125-V560 WeakPolarHBondContact OE1-CG2 3.21Å; V560-E562 VanDerWaalsContact C-N 3.27Å; V560-E562 PolarHBondContact O-N 3.4Å; V560-V563 WeakPolarHBondContact O-CG2 3.45Å; V560-L564 WeakPolarHBondContact O-CD2 3.22Å; V560-L564 WeakPolarHBondContact O-CG 3.5Å
561	E	87.9	Confident	90.7	Very high	48 Å²	48	12.5 Å²	12.5	22%	0.224	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-25.2	-177.2	-64.3	-63.5	155.3	0	0	113.3	R101 R110 P559	R101-E561 IonicContact CZ-OE2 2.6Å; R101-E561 IonicContact NE-OE2 3.38Å; R101-E561 IonicContact NH1-OE2 3.44Å; R101-E561 PolarHBondContact NH1-OE2 2.6Å; R101-E561 IonicContact NH2-OE2 3.4Å; R110-E561 WeakPolarHBondContact CG-OE1 3.12Å; P559-E561 PolarHBondContact O-N 3.46Å; P559-E561 VanDerWaalsContact O-N 3.1Å
562	E	87.9	Confident	90.2	Very high	81 Å²	81	15 Å²	15	38%	0.379	8%	0.075	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-13	-173.7	-66.7	-179.1	-154.4	0	0	112.5	V150 E151 P559 V560	V150-E562 HydrophobicContact CB-CB 4.28Å; V150-E562 HydrophobicContact CG1-CB 4.04Å; V150-E562 HydrophobicContact CG1-CG 4.44Å; V150-E562 WeakPolarHBondContact CG1-OE2 3.37Å; V150-E562 HydrophobicContact CG2-CB 3.83Å; V150-E562 WeakPolarHBondContact CG2-OE2 2.92Å; E151-E562 PolarHBondContact N-O 3.27Å; P559-E562 HydrophobicContact CB-CB 4.34Å; P559-E562 HydrophobicContact CB-CG 4.3Å; P559-E562 PolarHBondContact O-N 3.4Å; V560-E562 VanDerWaalsContact C-N 3.27Å; V560-E562 PolarHBondContact O-N 3.4Å
563	V	89.6	Confident	89.5	Confident	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.082	C	C	.	.	S	Bend	trans	-102.1	5	177.5	-54.8	0	0	0	0	113.1	Y118 V122 P559 V560 P565 Y566 L567	Y118-V563 HydrophobicContact CD2-CG2 3.55Å; Y118-V563 HydrophobicContact CE2-CG2 3.57Å; V122-V563 HydrophobicContact CG2-CG2 4.21Å; P559-V563 PolarHBondContact O-N 2.85Å; V560-V563 WeakPolarHBondContact O-CG2 3.45Å; V563-P565 VanDerWaalsContact C-CD 3.49Å; V563-Y566 WeakPolarHBondContact O-CA 3.3Å; V563-Y566 VanDerWaalsContact O-CB 3.29Å; V563-Y566 WeakPolarHBondContact O-CB 3.36Å; V563-Y566 PolarHBondContact O-N 2.77Å; V563-Y566 VanDerWaalsContact O-N 3.08Å; V563-L567 HydrophobicContact CG2-CD1 4.16Å; V563-L567 HydrophobicContact CG2-CG 4.36Å; V563-L567 PolarHBondContact O-N 3.35Å
564	L	89.2	Confident	88.6	Confident	17 Å²	17	16.7 Å²	16.7	9%	0.089	8%	0.083	C	C	.	.	H	α-helix	trans	-56.7	-41.4	-179	-61.5	179.5	0	0	0	113.6	M97 F109 M113 V560 Y566 L567 S568	M97-L564 HydrophobicContact SD-CD2 4.16Å; F109-L564 HydrophobicContact CE1-CD1 4.02Å; F109-L564 HydrophobicContact CE1-CD2 3.88Å; F109-L564 HydrophobicContact CZ-CD1 4.19Å; F109-L564 HydrophobicContact CZ-CD2 3.83Å; M113-L564 HydrophobicContact CE-CD2 4.23Å; V560-L564 WeakPolarHBondContact O-CD2 3.22Å; V560-L564 WeakPolarHBondContact O-CG 3.5Å; L564-Y566 VanDerWaalsContact C-N 3.28Å; L564-Y566 PolarHBondContact O-N 2.78Å; L564-L567 HydrophobicContact CD2-CD1 4.49Å; L564-L567 PolarHBondContact O-N 3.5Å; L564-S568 PolarHBondContact O-N 3.4Å
565	P	86.5	Confident	87.5	Confident	12 Å²	12	16.5 Å²	16.5	8%	0.078	9%	0.088	C	C	.	.	H	α-helix	trans	-60.1	-39.1	175.1	-25.2	36.6	0	0	0	112.5	E151 V563 S568 R569	E151-P565 HydrophobicContact CB-CB 4.11Å; E151-P565 HydrophobicContact CB-CG 3.97Å; V563-P565 VanDerWaalsContact C-CD 3.49Å; P565-S568 WeakPolarHBondContact O-CB 3.19Å; P565-S568 PolarHBondContact O-N 3Å; P565-R569 PolarHBondContact O-N 3.18Å; P565-R569 PolarHBondContact O-NH1 2.62Å
566	Y	87.4	Confident	85.9	Confident	4 Å²	4	20.6 Å²	20.6	2%	0.016	12%	0.117	C	C	.	.	H	α-helix	trans	-61.2	-47.3	174.4	175	-84.8	0	0	0	111.9	F121 V122 P556 V563 L564 S568 R569 R570	F121-Y566 HydrophobicContact CB-CE1 4.2Å; V122-Y566 HydrophobicContact CG2-CD1 4.03Å; V122-Y566 HydrophobicContact CG2-CE1 4.06Å; P556-Y566 HydrophobicContact CB-CE1 4.03Å; P556-Y566 HydrophobicContact CB-CE2 3.93Å; P556-Y566 HydrophobicContact CG-CE1 3.7Å; P556-Y566 HydrophobicContact CG-CE2 4.19Å; P556-Y566 VanDerWaalsContact CG-CZ 3.48Å; P556-Y566 WeakPolarHBondContact CG-OH 3.45Å; V563-Y566 WeakPolarHBondContact O-CA 3.3Å; V563-Y566 VanDerWaalsContact O-CB 3.29Å; V563-Y566 WeakPolarHBondContact O-CB 3.36Å; V563-Y566 PolarHBondContact O-N 2.77Å; V563-Y566 VanDerWaalsContact O-N 3.08Å; L564-Y566 VanDerWaalsContact C-N 3.28Å; L564-Y566 PolarHBondContact O-N 2.78Å; Y566-S568 PolarHBondContact O-N 3.5Å; Y566-R569 PolarHBondContact O-N 3.12Å; Y566-R570 HydrophobicContact CD1-CG 4.1Å; Y566-R570 HydrophobicContact CE1-CG 3.53Å; Y566-R570 PolarHBondContact O-N 3.3Å; Y566-R570 PolarHBondContact OH-NH1 3.36Å
567	L	89	Confident	84.4	Confident	2 Å²	2	23.5 Å²	23.5	1%	0.01	13%	0.134	C	C	.	.	H	α-helix	trans	-64.8	-39.3	179.3	-65	179.2	0	0	0	112.5	M113 F117 Y118 F121 V122 V563 L564 R569 R570 A571	M113-L567 HydrophobicContact CE-CB 4.47Å; M113-L567 HydrophobicContact CE-CD1 3.37Å; F117-L567 HydrophobicContact CB-CD1 4.42Å; F117-L567 HydrophobicContact CB-CD2 4.31Å; Y118-L567 HydrophobicContact CD2-CD1 4.25Å; F121-L567 HydrophobicContact CB-CD2 4.02Å; F121-L567 HydrophobicContact CD2-CD2 4.48Å; V122-L567 HydrophobicContact CG2-CD2 3.76Å; V122-L567 HydrophobicContact CG2-CG 4.49Å; V563-L567 HydrophobicContact CG2-CD1 4.16Å; V563-L567 HydrophobicContact CG2-CG 4.36Å; V563-L567 PolarHBondContact O-N 3.35Å; L564-L567 HydrophobicContact CD2-CD1 4.49Å; L564-L567 PolarHBondContact O-N 3.5Å; L567-R569 VanDerWaalsContact C-N 3.26Å; L567-R569 PolarHBondContact O-N 3.2Å; L567-R570 PolarHBondContact O-N 3.14Å; L567-A571 PolarHBondContact O-N 3.41Å
568	S	87.8	Confident	82.7	Confident	2 Å²	2	27.4 Å²	27.4	1%	0.014	16%	0.155	C	C	.	.	H	α-helix	trans	-53.8	-45.7	172.3	165	0	0	0	0	111.3	N93 K94 L564 P565 Y566 A571 L572	N93-S568 PolarHBondContact ND2-OG 3.29Å; N93-S568 WeakPolarHBondContact OD1-CA 3.38Å; N93-S568 WeakPolarHBondContact OD1-CB 3.33Å; N93-S568 PolarHBondContact OD1-OG 2.94Å; K94-S568 WeakPolarHBondContact CG-OG 3.5Å; L564-S568 PolarHBondContact O-N 3.4Å; P565-S568 WeakPolarHBondContact O-CB 3.19Å; P565-S568 PolarHBondContact O-N 3Å; Y566-S568 PolarHBondContact O-N 3.5Å; S568-A571 WeakPolarHBondContact O-CB 3.13Å; S568-A571 PolarHBondContact O-N 3.36Å; S568-L572 WeakPolarHBondContact O-CG 3.42Å; S568-L572 PolarHBondContact O-N 3.13Å
569	R	85	Confident	81.3	Confident	15 Å²	15	33.7 Å²	33.7	6%	0.057	19%	0.189	C	C	.	.	H	α-helix	trans	-69.1	-38.1	-179.8	-72.4	-174.2	-48.1	-98.4	-1	112.4	E151 A201 P565 Y566 L567 A571 L572 E573	E151-R569 IonicContact OE1-CZ 3.09Å; E151-R569 IonicContact OE1-NH1 2.61Å; E151-R569 IonicContact OE1-NH2 2.66Å; E151-R569 PolarHBondContact OE1-NH2 3.12Å; E151-R569 IonicContact OE2-CZ 3.89Å; E151-R569 IonicContact OE2-NH1 3.77Å; E151-R569 PolarHBondContact OE2-NH1 3.14Å; E151-R569 IonicContact OE2-NH2 3.56Å; E151-R569 PolarHBondContact OE2-NH2 3.17Å; A201-R569 PolarHBondContact O-NE 3.18Å; P565-R569 PolarHBondContact O-N 3.18Å; P565-R569 PolarHBondContact O-NH1 2.62Å; Y566-R569 PolarHBondContact O-N 3.12Å; L567-R569 VanDerWaalsContact C-N 3.26Å; L567-R569 PolarHBondContact O-N 3.2Å; R569-A571 VanDerWaalsContact C-N 3.3Å; R569-A571 PolarHBondContact O-N 2.94Å; R569-L572 PolarHBondContact O-N 3.32Å; R569-E573 WeakPolarHBondContact O-CB 3.42Å; R569-E573 PolarHBondContact O-N 3.39Å
570	R	85.9	Confident	80.1	Confident	7 Å²	7	33.3 Å²	33.3	3%	0.026	19%	0.187	C	C	.	.	H	α-helix	trans	-62.4	-37.1	172.8	-68.5	-65.3	90.3	87.6	-8.6	112.1	F121 G200 Y566 L567 E573 N574	F121-R570 HydrophobicContact CB-CG 4.18Å; F121-R570 HydrophobicContact CD1-CB 4.26Å; F121-R570 HydrophobicContact CD1-CG 4.24Å; F121-R570 HydrophobicContact CD2-CB 3.79Å; F121-R570 HydrophobicContact CD2-CG 4.34Å; F121-R570 HydrophobicContact CE1-CB 4.41Å; F121-R570 HydrophobicContact CE2-CB 3.94Å; F121-R570 HydrophobicContact CG-CB 3.96Å; F121-R570 HydrophobicContact CG-CG 4.02Å; F121-R570 HydrophobicContact CZ-CB 4.25Å; G200-R570 PolarHBondContact O-NH2 3.49Å; Y566-R570 HydrophobicContact CD1-CG 4.1Å; Y566-R570 HydrophobicContact CE1-CG 3.53Å; Y566-R570 PolarHBondContact O-N 3.3Å; Y566-R570 PolarHBondContact OH-NH1 3.36Å; L567-R570 PolarHBondContact O-N 3.14Å; R570-E573 IonicContact CZ-OE2 3.83Å; R570-E573 IonicContact NE-OE2 3.76Å; R570-E573 PolarHBondContact NE-OE2 3.12Å; R570-E573 IonicContact NH2-OE2 2.87Å; R570-E573 PolarHBondContact NH2-OE2 3.45Å; R570-N574 WeakPolarHBondContact O-CB 3.16Å; R570-N574 PolarHBondContact O-N 2.91Å; R570-N574 VanDerWaalsContact O-N 3.12Å; R570-N574 PolarHBondContact O-ND2 3.19Å
571	A	85.7	Confident	79.4	Confident	4 Å²	4	33.7 Å²	33.7	3%	0.033	19%	0.189	C	C	.	.	H	α-helix	trans	-64.5	-47.4	173.3	0	0	0	0	0	111.7	V90 F117 L567 S568 R569 N574 G575	V90-A571 VanDerWaalsContact CG1-O 3.26Å; V90-A571 WeakPolarHBondContact CG1-O 3.25Å; F117-A571 HydrophobicContact CD1-CB 4.42Å; F117-A571 HydrophobicContact CE1-CB 3.83Å; L567-A571 PolarHBondContact O-N 3.41Å; S568-A571 WeakPolarHBondContact O-CB 3.13Å; S568-A571 PolarHBondContact O-N 3.36Å; R569-A571 VanDerWaalsContact C-N 3.3Å; R569-A571 PolarHBondContact O-N 2.94Å; A571-N574 PolarHBondContact O-N 3.43Å; A571-G575 PolarHBondContact O-N 2.95Å
572	L	84.7	Confident	79.1	Confident	53 Å²	53	35.4 Å²	35.4	28%	0.277	20%	0.199	S	C	.	.	H	α-helix	trans	-59.5	-48.1	177.7	-72.6	165.9	0	0	0	112.4	V90 V199 S568 R569 N574 G575 S576	V90-L572 VanDerWaalsContact CG1-CA 3.47Å; V90-L572 HydrophobicContact CG1-CB 4.45Å; V90-L572 HydrophobicContact CG1-CD2 3.88Å; V90-L572 HydrophobicContact CG1-CG 4.33Å; V90-L572 WeakPolarHBondContact O-CD2 3.48Å; V199-L572 HydrophobicContact CG1-CB 4.07Å; S568-L572 WeakPolarHBondContact O-CG 3.42Å; S568-L572 PolarHBondContact O-N 3.13Å; R569-L572 PolarHBondContact O-N 3.32Å; L572-N574 PolarHBondContact O-N 3.38Å; L572-G575 PolarHBondContact O-N 3.26Å; L572-S576 PolarHBondContact O-N 2.78Å; L572-S576 VanDerWaalsContact O-N 3.1Å
573	E	80.8	Confident	79	Confident	35 Å²	35	32.7 Å²	32.7	16%	0.164	19%	0.188	C	C	.	.	H	α-helix	trans	-59.9	-48.3	179.4	-172.4	175.3	-178.3	0	0	111.1	V199 H504 M536 R569 R570 G575 S576 V577	V199-E573 HydrophobicContact CG1-CB 4.06Å; H504-E573 IonicContact CE1-OE1 3.19Å; M536-E573 HydrophobicContact CE-CG 4.48Å; R569-E573 WeakPolarHBondContact O-CB 3.42Å; R569-E573 PolarHBondContact O-N 3.39Å; R570-E573 IonicContact CZ-OE2 3.83Å; R570-E573 IonicContact NE-OE2 3.76Å; R570-E573 PolarHBondContact NE-OE2 3.12Å; R570-E573 IonicContact NH2-OE2 2.87Å; R570-E573 PolarHBondContact NH2-OE2 3.45Å; E573-G575 VanDerWaalsContact C-N 3.32Å; E573-G575 PolarHBondContact O-N 2.98Å; E573-S576 PolarHBondContact O-N 3.34Å; E573-S576 VanDerWaalsContact O-N 3.11Å; E573-S576 PolarHBondContact O-OG 3.14Å; E573-V577 WeakPolarHBondContact O-CG2 3.16Å; E573-V577 PolarHBondContact O-N 2.98Å
574	N	78.1	Confident	78.9	Confident	1 Å²	1	33 Å²	33	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-70.1	-25.5	178.8	-77.3	-81.7	0	0	0	113.6	F81 C84 F121 R570 A571 L572 S576 T581	F81-N574 WeakPolarHBondContact CE1-OD1 3.46Å; C84-N574 HydrophobicContact CB-CB 3.98Å; F121-N574 WeakPolarHBondContact CZ-ND2 3.08Å; R570-N574 WeakPolarHBondContact O-CB 3.16Å; R570-N574 PolarHBondContact O-N 2.91Å; R570-N574 VanDerWaalsContact O-N 3.12Å; R570-N574 PolarHBondContact O-ND2 3.19Å; A571-N574 PolarHBondContact O-N 3.43Å; L572-N574 PolarHBondContact O-N 3.38Å; N574-S576 VanDerWaalsContact C-N 3.34Å; N574-T581 HydrophobicContact CB-CG2 3.94Å; N574-T581 WeakPolarHBondContact O-CG2 3.4Å; N574-T581 WeakPolarHBondContact OD1-CG2 3.47Å
575	G	72.1	Confident	79	Confident	21 Å²	21	35.2 Å²	35.2	22%	0.216	20%	0.197	C	C	.	.	H	α-helix	trans	-70.1	-30.4	170.5	0	0	0	0	0	113.1	A571 L572 E573	A571-G575 PolarHBondContact O-N 2.95Å; L572-G575 PolarHBondContact O-N 3.26Å; E573-G575 VanDerWaalsContact C-N 3.32Å; E573-G575 PolarHBondContact O-N 2.98Å
576	S	61.4	Low	79.3	Confident	86 Å²	86	40.5 Å²	40.5	60%	0.601	22%	0.221	S	C	*	.	H	α-helix	trans	-83.5	-34.5	-179.7	71.2	0	0	0	0	113.6	L572 E573 N574 L578	L572-S576 PolarHBondContact O-N 2.78Å; L572-S576 VanDerWaalsContact O-N 3.1Å; E573-S576 PolarHBondContact O-N 3.34Å; E573-S576 VanDerWaalsContact O-N 3.11Å; E573-S576 PolarHBondContact O-OG 3.14Å; N574-S576 VanDerWaalsContact C-N 3.34Å; S576-L578 PolarHBondContact O-N 3.41Å; S576-L578 VanDerWaalsContact O-N 3.16Å
577	V	63.1	Low	79.6	Confident	61 Å²	61	41 Å²	41	37%	0.37	22%	0.224	S	C	.	.			trans	-92	66.1	-178	-166.8	0	0	0	0	110.7	E573 N579 C580 T581	E573-V577 WeakPolarHBondContact O-CG2 3.16Å; E573-V577 PolarHBondContact O-N 2.98Å; V577-N579 PolarHBondContact O-N 3.12Å; V577-C580 HydrophobicContact CG1-CB 3.45Å; V577-C580 VanDerWaalsContact CG1-CB 3.45Å; V577-C580 PolarHBondContact O-N 3.42Å; V577-T581 WeakPolarHBondContact O-CG2 3.13Å; V577-T581 PolarHBondContact O-N 3.48Å; V577-T581 PolarHBondContact O-OG1 3.32Å
578	L	57.8	Low	79.9	Confident	92 Å²	92	41 Å²	41	48%	0.482	22%	0.224	S	C	.	.	H	α-helix	trans	-57.7	-42.3	-176.4	-69.9	171.2	0	0	0	112.9	S576 C580 T581 L582	S576-L578 PolarHBondContact O-N 3.41Å; S576-L578 VanDerWaalsContact O-N 3.16Å; L578-C580 PolarHBondContact O-N 3.23Å; L578-T581 WeakPolarHBondContact CA-OG1 3.34Å; L578-T581 PolarHBondContact O-N 3.07Å; L578-T581 PolarHBondContact O-OG1 2.81Å; L578-L582 WeakPolarHBondContact O-CB 3.31Å; L578-L582 WeakPolarHBondContact O-CG 3.37Å; L578-L582 PolarHBondContact O-N 3.31Å
579	N	63.5	Low	80.3	Confident	132 Å²	132	47 Å²	47	71%	0.706	25%	0.246	S	C	*	.	H	α-helix	trans	-68.1	-39.3	-174.8	-72.5	-9.1	0	0	0	113.7	V577 T583	V577-N579 PolarHBondContact O-N 3.12Å; N579-T583 PolarHBondContact O-N 3.17Å; N579-T583 VanDerWaalsContact O-N 3.15Å; N579-T583 PolarHBondContact O-OG1 3.35Å
580	C	68.9	Low	80.8	Confident	25 Å²	25	49.1 Å²	49.1	17%	0.169	26%	0.263	C	S	.	.	H	α-helix	trans	-68.4	-45.4	177.6	-164.6	0	0	0	0	110.7	C537 V577 L578 L582 T583 E584	C537-C580 PolarHBondContact SG-SG 3.45Å; V577-C580 HydrophobicContact CG1-CB 3.45Å; V577-C580 VanDerWaalsContact CG1-CB 3.45Å; V577-C580 PolarHBondContact O-N 3.42Å; L578-C580 PolarHBondContact O-N 3.23Å; C580-L582 VanDerWaalsContact C-N 3.34Å; C580-L582 PolarHBondContact O-N 3.19Å; C580-T583 PolarHBondContact O-N 2.72Å; C580-E584 WeakPolarHBondContact O-CG 3.2Å; C580-E584 PolarHBondContact O-N 3.13Å; C580-E584 PolarHBondContact SG-OE1 2.93Å; C580-E584 VanDerWaalsContact SG-OE1 3.4Å
581	T	74.4	Confident	81.3	Confident	9 Å²	9	48.9 Å²	48.9	6%	0.055	26%	0.262	C	S	.	.	H	α-helix	trans	-66.3	-34.6	179.3	54.8	0	0	0	0	112.6	F81 N574 V577 L578 R585	F81-T581 HydrophobicContact CD1-CG2 4.16Å; F81-T581 HydrophobicContact CE1-CG2 4.37Å; N574-T581 HydrophobicContact CB-CG2 3.94Å; N574-T581 WeakPolarHBondContact O-CG2 3.4Å; N574-T581 WeakPolarHBondContact OD1-CG2 3.47Å; V577-T581 WeakPolarHBondContact O-CG2 3.13Å; V577-T581 PolarHBondContact O-N 3.48Å; V577-T581 PolarHBondContact O-OG1 3.32Å; L578-T581 WeakPolarHBondContact CA-OG1 3.34Å; L578-T581 PolarHBondContact O-N 3.07Å; L578-T581 PolarHBondContact O-OG1 2.81Å; T581-R585 WeakPolarHBondContact O-CB 3.33Å; T581-R585 WeakPolarHBondContact O-CG 3.4Å; T581-R585 PolarHBondContact O-N 3.33Å
582	L	83.1	Confident	81.8	Confident	84 Å²	84	49.6 Å²	49.6	44%	0.44	27%	0.265	S	S	.	.	H	α-helix	trans	-64.3	-46.7	173.3	-74.4	173.4	0	0	0	111.9	L578 C580 R585 Q586	L578-L582 WeakPolarHBondContact O-CB 3.31Å; L578-L582 WeakPolarHBondContact O-CG 3.37Å; L578-L582 PolarHBondContact O-N 3.31Å; C580-L582 VanDerWaalsContact C-N 3.34Å; C580-L582 PolarHBondContact O-N 3.19Å; L582-R585 PolarHBondContact O-N 3.15Å; L582-Q586 WeakPolarHBondContact O-CG 3.41Å; L582-Q586 PolarHBondContact O-N 3.02Å
583	T	85.4	Confident	82.3	Confident	24 Å²	24	52.7 Å²	52.7	15%	0.147	28%	0.277	C	S	.	.	H	α-helix	trans	-58.4	-48.9	175.1	-73.8	0	0	0	0	111.2	R60 N579 C580 R585 Q586 L587	R60-T583 PolarHBondContact NH1-OG1 2.98Å; N579-T583 PolarHBondContact O-N 3.17Å; N579-T583 VanDerWaalsContact O-N 3.15Å; N579-T583 PolarHBondContact O-OG1 3.35Å; C580-T583 PolarHBondContact O-N 2.72Å; T583-R585 VanDerWaalsContact C-N 3.34Å; T583-R585 PolarHBondContact O-N 2.84Å; T583-Q586 WeakPolarHBondContact O-CB 3.38Å; T583-Q586 PolarHBondContact O-N 3.28Å; T583-L587 HydrophobicContact CG2-CD1 4.05Å; T583-L587 WeakPolarHBondContact O-CG 3.19Å; T583-L587 PolarHBondContact O-N 3.28Å
584	E	87.8	Confident	83	Confident	6 Å²	6	53.6 Å²	53.6	3%	0.028	28%	0.279	C	S	.	.	H	α-helix	trans	-60.1	-44.4	179.5	-79.5	-179.8	-146.7	0	0	112.2	F81 C537 C580 Q586 L587 L588	F81-E584 HydrophobicContact CE2-CB 4.34Å; F81-E584 WeakPolarHBondContact CE2-OE2 3.33Å; F81-E584 WeakPolarHBondContact CZ-OE2 3.45Å; C537-E584 WeakPolarHBondContact CA-OE1 3.1Å; C537-E584 VanDerWaalsContact N-CD 3.3Å; C537-E584 PolarHBondContact N-OE1 3.44Å; C537-E584 PolarHBondContact SG-OE1 3.01Å; C580-E584 WeakPolarHBondContact O-CG 3.2Å; C580-E584 PolarHBondContact O-N 3.13Å; C580-E584 PolarHBondContact SG-OE1 2.93Å; C580-E584 VanDerWaalsContact SG-OE1 3.4Å; E584-Q586 VanDerWaalsContact C-N 3.33Å; E584-Q586 PolarHBondContact O-N 3.43Å; E584-L587 PolarHBondContact O-N 3.24Å; E584-L588 WeakPolarHBondContact O-CB 3.42Å; E584-L588 VanDerWaalsContact O-CG 3.28Å; E584-L588 WeakPolarHBondContact O-CG 3.43Å; E584-L588 PolarHBondContact O-N 3.1Å
585	R	90.6	Very high	83.9	Confident	64 Å²	64	53.6 Å²	53.6	24%	0.242	28%	0.278	C	S	.	.	H	α-helix	trans	-61.3	-41.4	176.5	-75.8	175.5	67.7	-173.6	-8.3	112.3	F81 S85 T581 L582 T583 W589	F81-R585 HydrophobicContact CB-CG 3.48Å; F81-R585 VanDerWaalsContact CB-CG 3.48Å; F81-R585 HydrophobicContact CD2-CG 4.24Å; F81-R585 HydrophobicContact CG-CG 4.16Å; S85-R585 PolarHBondContact OG-NH1 2.69Å; T581-R585 WeakPolarHBondContact O-CB 3.33Å; T581-R585 WeakPolarHBondContact O-CG 3.4Å; T581-R585 PolarHBondContact O-N 3.33Å; L582-R585 PolarHBondContact O-N 3.15Å; T583-R585 VanDerWaalsContact C-N 3.34Å; T583-R585 PolarHBondContact O-N 2.84Å; R585-W589 VanDerWaalsContact O-CB 3.22Å; R585-W589 WeakPolarHBondContact O-CB 3.07Å; R585-W589 PolarHBondContact O-N 3.43Å
586	Q	92.8	Very high	84.9	Confident	124 Å²	124	56.5 Å²	56.5	58%	0.579	29%	0.289	S	S	*	.	H	α-helix	trans	-61.7	-47	176.3	-74	173.5	-8.3	0	0	110.9	L582 T583 E584 W589 S590	L582-Q586 WeakPolarHBondContact O-CG 3.41Å; L582-Q586 PolarHBondContact O-N 3.02Å; T583-Q586 WeakPolarHBondContact O-CB 3.38Å; T583-Q586 PolarHBondContact O-N 3.28Å; E584-Q586 VanDerWaalsContact C-N 3.33Å; E584-Q586 PolarHBondContact O-N 3.43Å; Q586-W589 PolarHBondContact O-N 3.02Å; Q586-S590 WeakPolarHBondContact O-CB 3.3Å; Q586-S590 PolarHBondContact O-N 3.42Å; Q586-S590 PolarHBondContact O-OG 3.38Å; Q586-S590 VanDerWaalsContact O-OG 3.06Å
587	L	94.4	Very high	86.5	Confident	14 Å²	14	56.9 Å²	56.9	7%	0.073	29%	0.291	C	S	.	.	H	α-helix	trans	-67.1	-41.1	179.8	-65.1	175.4	0	0	0	112.5	R60 S62 Q539 T583 E584 W589 S590 E591	R60-L587 HydrophobicContact CB-CD2 4.38Å; R60-L587 VanDerWaalsContact O-CD2 3.3Å; R60-L587 WeakPolarHBondContact O-CD2 3.33Å; S62-L587 WeakPolarHBondContact CB-O 3.41Å; Q539-L587 HydrophobicContact CB-CD1 3.49Å; Q539-L587 VanDerWaalsContact CB-CD1 3.49Å; Q539-L587 HydrophobicContact CG-CD1 3.64Å; T583-L587 HydrophobicContact CG2-CD1 4.05Å; T583-L587 WeakPolarHBondContact O-CG 3.19Å; T583-L587 PolarHBondContact O-N 3.28Å; E584-L587 PolarHBondContact O-N 3.24Å; L587-W589 VanDerWaalsContact C-N 3.31Å; L587-W589 PolarHBondContact O-N 3.03Å; L587-S590 PolarHBondContact O-N 3.38Å; L587-E591 WeakPolarHBondContact O-CB 3.48Å; L587-E591 PolarHBondContact O-N 3.43Å
588	L	95.3	Very high	87.9	Confident	2 Å²	2	58.9 Å²	58.9	1%	0.01	30%	0.3	C	S	.	.	H	α-helix	trans	-60.4	-42.4	173.8	-77.2	164.3	0	0	0	111.6	H66 V74 A77 L78 F81 E584 E591 L592	H66-L588 VanDerWaalsContact CD2-CD2 3.42Å; H66-L588 WeakPolarHBondContact CD2-CD2 3.47Å; H66-L588 WeakPolarHBondContact NE2-CD2 3.48Å; H66-L588 WeakPolarHBondContact NE2-CG 3.22Å; V74-L588 HydrophobicContact CB-CD2 4.41Å; V74-L588 HydrophobicContact CG1-CB 4.48Å; V74-L588 HydrophobicContact CG1-CD2 4.02Å; V74-L588 HydrophobicContact CG2-CD2 4.32Å; A77-L588 HydrophobicContact CB-CD1 3.66Å; A77-L588 HydrophobicContact CB-CD2 4.02Å; L78-L588 HydrophobicContact CD2-CB 3.65Å; L78-L588 HydrophobicContact CG-CB 3.91Å; F81-L588 HydrophobicContact CD2-CD1 3.71Å; F81-L588 HydrophobicContact CE2-CD1 3.7Å; E584-L588 WeakPolarHBondContact O-CB 3.42Å; E584-L588 VanDerWaalsContact O-CG 3.28Å; E584-L588 WeakPolarHBondContact O-CG 3.43Å; E584-L588 PolarHBondContact O-N 3.1Å; L588-E591 PolarHBondContact O-N 2.91Å; L588-L592 WeakPolarHBondContact O-CB 3.27Å; L588-L592 PolarHBondContact O-N 3.26Å
589	W	95.7	Very high	89.6	Confident	128 Å²	128	56.7 Å²	56.7	49%	0.485	30%	0.3	S	S	.	.	H	α-helix	trans	-68.3	-42.8	178.7	-176.3	-118.3	0	0	0	112	L78 R585 Q586 L587 E591 L592 K593	L78-W589 HydrophobicContact CD1-CE3 4.02Å; L78-W589 HydrophobicContact CD2-CB 4.25Å; R585-W589 VanDerWaalsContact O-CB 3.22Å; R585-W589 WeakPolarHBondContact O-CB 3.07Å; R585-W589 PolarHBondContact O-N 3.43Å; Q586-W589 PolarHBondContact O-N 3.02Å; L587-W589 VanDerWaalsContact C-N 3.31Å; L587-W589 PolarHBondContact O-N 3.03Å; W589-E591 VanDerWaalsContact C-N 3.32Å; W589-E591 PolarHBondContact O-N 2.84Å; W589-L592 HydrophobicContact CE3-CD2 4.19Å; W589-L592 HydrophobicContact CZ3-CD2 4.05Å; W589-L592 PolarHBondContact O-N 3.38Å; W589-K593 VanDerWaalsContact CE2-CE 3.48Å; W589-K593 WeakPolarHBondContact O-CB 3.29Å; W589-K593 WeakPolarHBondContact O-CG 3.31Å; W589-K593 PolarHBondContact O-N 2.98Å
590	S	96	Very high	90.9	Very high	60 Å²	60	53.6 Å²	53.6	42%	0.42	28%	0.281	S	S	.	.	H	α-helix	trans	-58.8	-43.8	173.2	-67.2	0	0	0	0	111.4	Q586 L587 K593 R594	Q586-S590 WeakPolarHBondContact O-CB 3.3Å; Q586-S590 PolarHBondContact O-N 3.42Å; Q586-S590 PolarHBondContact O-OG 3.38Å; Q586-S590 VanDerWaalsContact O-OG 3.06Å; L587-S590 PolarHBondContact O-N 3.38Å; S590-K593 PolarHBondContact O-N 3.36Å; S590-R594 WeakPolarHBondContact O-CB 3.46Å; S590-R594 PolarHBondContact O-N 3.43Å
591	E	96.1	Very high	91.8	Very high	1 Å²	1	59 Å²	59	1%	0.005	30%	0.302	C	S	.	.	H	α-helix	trans	-65.9	-44.2	176.6	177.5	63.3	-177.8	0	0	112.2	K63 H66 L587 L588 W589 K593 R594 R595	K63-E591 VanDerWaalsContact CA-OE2 3.32Å; K63-E591 WeakPolarHBondContact CA-OE2 3.27Å; H66-E591 HydrophobicContact CB-CB 4.39Å; H66-E591 HydrophobicContact CB-CG 3.86Å; L587-E591 WeakPolarHBondContact O-CB 3.48Å; L587-E591 PolarHBondContact O-N 3.43Å; L588-E591 PolarHBondContact O-N 2.91Å; W589-E591 VanDerWaalsContact C-N 3.32Å; W589-E591 PolarHBondContact O-N 2.84Å; E591-K593 VanDerWaalsContact C-N 3.35Å; E591-K593 PolarHBondContact O-N 3Å; E591-R594 PolarHBondContact O-N 3.34Å; E591-R594 IonicContact OE1-CZ 2.62Å; E591-R594 IonicContact OE1-NE 3.65Å; E591-R594 IonicContact OE1-NH2 3.09Å; E591-R594 PolarHBondContact OE1-NH2 2.9Å; E591-R594 IonicContact OE2-CZ 2.94Å; E591-R594 IonicContact OE2-NE 2.79Å; E591-R594 PolarHBondContact OE2-NE 3.02Å; E591-R594 IonicContact OE2-NH2 2.72Å; E591-R594 PolarHBondContact OE2-NH2 3.01Å; E591-R595 HydrophobicContact CG-CG 4.44Å; E591-R595 WeakPolarHBondContact O-CG 3.46Å; E591-R595 PolarHBondContact O-N 3.35Å; E591-R595 IonicContact OE1-CZ 3.23Å; E591-R595 IonicContact OE1-NE 3.73Å; E591-R595 PolarHBondContact OE1-NE 2.92Å; E591-R595 IonicContact OE1-NH2 2.89Å; E591-R595 PolarHBondContact OE1-NH2 3.16Å; E591-R595 VanDerWaalsContact OE1-NH2 3.11Å
592	L	95.1	Very high	92.4	Very high	19 Å²	19	66.3 Å²	66.3	10%	0.099	34%	0.339	C	S	.	.	H	α-helix	trans	-59.8	-46.8	177.8	-177.4	60.3	0	0	0	111	V74 I75 L78 L588 W589 R594 R595 L596	V74-L592 HydrophobicContact CG1-CB 4Å; I75-L592 HydrophobicContact CG1-CD1 4.24Å; I75-L592 HydrophobicContact CG1-CD2 4.17Å; L78-L592 HydrophobicContact CD1-CB 4.46Å; L78-L592 HydrophobicContact CD1-CD2 3.7Å; L588-L592 WeakPolarHBondContact O-CB 3.27Å; L588-L592 PolarHBondContact O-N 3.26Å; W589-L592 HydrophobicContact CE3-CD2 4.19Å; W589-L592 HydrophobicContact CZ3-CD2 4.05Å; W589-L592 PolarHBondContact O-N 3.38Å; L592-R594 PolarHBondContact O-N 2.87Å; L592-R595 PolarHBondContact O-N 2.8Å; L592-L596 HydrophobicContact CD1-CD1 4.37Å; L592-L596 HydrophobicContact CD1-CG 4.41Å; L592-L596 HydrophobicContact CG-CD1 4.14Å; L592-L596 VanDerWaalsContact O-CG 3.3Å; L592-L596 WeakPolarHBondContact O-CG 3.21Å; L592-L596 PolarHBondContact O-N 2.89Å
593	K	96.1	Very high	92.7	Very high	118 Å²	118	64.8 Å²	64.8	51%	0.513	33%	0.328	S	S	.	.	H	α-helix	trans	-57.7	-46.8	174.6	-80.6	-180	162.3	-179.8	0	111.9	W589 S590 E591 R595 L596 S597	W589-K593 VanDerWaalsContact CE2-CE 3.48Å; W589-K593 WeakPolarHBondContact O-CB 3.29Å; W589-K593 WeakPolarHBondContact O-CG 3.31Å; W589-K593 PolarHBondContact O-N 2.98Å; S590-K593 PolarHBondContact O-N 3.36Å; E591-K593 VanDerWaalsContact C-N 3.35Å; E591-K593 PolarHBondContact O-N 3Å; K593-R595 VanDerWaalsContact C-N 3.32Å; K593-R595 PolarHBondContact O-N 3.5Å; K593-L596 PolarHBondContact O-N 2.88Å; K593-S597 WeakPolarHBondContact O-CB 3.36Å; K593-S597 PolarHBondContact O-N 3.27Å; K593-S597 PolarHBondContact O-OG 2.85Å
594	R	96.2	Very high	92.7	Very high	55 Å²	55	72.5 Å²	72.5	21%	0.208	36%	0.359	C	S	.	.	H	α-helix	trans	-59.7	-41.6	178.1	-169.4	-158.1	65.1	66.6	2.2	111.6	S590 E591 L592 S597 N598 Q600	S590-R594 WeakPolarHBondContact O-CB 3.46Å; S590-R594 PolarHBondContact O-N 3.43Å; E591-R594 PolarHBondContact O-N 3.34Å; E591-R594 IonicContact OE1-CZ 2.62Å; E591-R594 IonicContact OE1-NE 3.65Å; E591-R594 IonicContact OE1-NH2 3.09Å; E591-R594 PolarHBondContact OE1-NH2 2.9Å; E591-R594 IonicContact OE2-CZ 2.94Å; E591-R594 IonicContact OE2-NE 2.79Å; E591-R594 PolarHBondContact OE2-NE 3.02Å; E591-R594 IonicContact OE2-NH2 2.72Å; E591-R594 PolarHBondContact OE2-NH2 3.01Å; L592-R594 PolarHBondContact O-N 2.87Å; R594-S597 PolarHBondContact O-OG 3.21Å; R594-S597 VanDerWaalsContact O-OG 3.05Å; R594-N598 PolarHBondContact NH1-ND2 3.15Å; R594-N598 WeakPolarHBondContact O-CB 3.31Å; R594-N598 PolarHBondContact O-N 2.87Å; R594-N598 PolarHBondContact O-ND2 3.17Å; R594-Q600 VanDerWaalsContact NH2-OE1 3.14Å
595	R	96	Very high	92.6	Very high	0 Å²	0	74.2 Å²	74.2	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-66	-45.7	177.7	-70.9	-178.3	-168.2	-175.1	-0.4	111.3	H66 K69 N71 E591 L592 K593 N598 G599 Q600 Y603	H66-R595 PolarHBondContact O-NH2 3.46Å; K69-R595 PolarHBondContact O-NH1 3.07Å; K69-R595 PolarHBondContact O-NH2 3.1Å; K69-R595 VanDerWaalsContact O-NH2 3.11Å; N71-R595 WeakPolarHBondContact OD1-CD 3.32Å; N71-R595 PolarHBondContact OD1-NH1 3.33Å; E591-R595 HydrophobicContact CG-CG 4.44Å; E591-R595 WeakPolarHBondContact O-CG 3.46Å; E591-R595 PolarHBondContact O-N 3.35Å; E591-R595 IonicContact OE1-CZ 3.23Å; E591-R595 IonicContact OE1-NE 3.73Å; E591-R595 PolarHBondContact OE1-NE 2.92Å; E591-R595 IonicContact OE1-NH2 2.89Å; E591-R595 PolarHBondContact OE1-NH2 3.16Å; E591-R595 VanDerWaalsContact OE1-NH2 3.11Å; L592-R595 PolarHBondContact O-N 2.8Å; K593-R595 VanDerWaalsContact C-N 3.32Å; K593-R595 PolarHBondContact O-N 3.5Å; R595-N598 PolarHBondContact O-N 2.74Å; R595-G599 PolarHBondContact O-N 3.23Å; R595-Q600 HydrophobicContact CB-CB 4.05Å; R595-Q600 HydrophobicContact CG-CB 4.42Å; R595-Q600 WeakPolarHBondContact O-CA 3.35Å; R595-Q600 WeakPolarHBondContact O-CB 3.41Å; R595-Q600 PolarHBondContact O-N 2.73Å; R595-Y603 VanDerWaalsContact NH1-CD1 3.35Å
596	L	93.8	Very high	92.7	Very high	83 Å²	83	74.7 Å²	74.7	44%	0.435	38%	0.377	S	S	.	.	H	α-helix	trans	-63.4	-43.6	178.3	-66.8	173.4	0	0	0	112.1	L592 K593 N598 G599 F601	L592-L596 HydrophobicContact CD1-CD1 4.37Å; L592-L596 HydrophobicContact CD1-CG 4.41Å; L592-L596 HydrophobicContact CG-CD1 4.14Å; L592-L596 VanDerWaalsContact O-CG 3.3Å; L592-L596 WeakPolarHBondContact O-CG 3.21Å; L592-L596 PolarHBondContact O-N 2.89Å; K593-L596 PolarHBondContact O-N 2.88Å; L596-N598 PolarHBondContact O-N 3.25Å; L596-G599 PolarHBondContact O-N 3.1Å; L596-G599 VanDerWaalsContact O-N 3.15Å; L596-F601 HydrophobicContact CD2-CD1 3.62Å; L596-F601 HydrophobicContact CD2-CE1 3.75Å
597	S	94.3	Very high	92.7	Very high	93 Å²	93	72.1 Å²	72.1	65%	0.65	37%	0.366	S	S	*	.	H	α-helix	trans	-65.7	-26.9	179.3	71.1	0	0	0	0	113.2	K593 R594	K593-S597 WeakPolarHBondContact O-CB 3.36Å; K593-S597 PolarHBondContact O-N 3.27Å; K593-S597 PolarHBondContact O-OG 2.85Å; R594-S597 PolarHBondContact O-OG 3.21Å; R594-S597 VanDerWaalsContact O-OG 3.05Å
598	N	93.9	Very high	92.6	Very high	104 Å²	104	75.3 Å²	75.3	56%	0.556	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	12.3	177.4	-68.2	-51.5	0	0	0	113.2	R594 R595 L596 Q600	R594-N598 PolarHBondContact NH1-ND2 3.15Å; R594-N598 WeakPolarHBondContact O-CB 3.31Å; R594-N598 PolarHBondContact O-N 2.87Å; R594-N598 PolarHBondContact O-ND2 3.17Å; R595-N598 PolarHBondContact O-N 2.74Å; L596-N598 PolarHBondContact O-N 3.25Å; N598-Q600 HydrophobicContact CB-CG 4.15Å; N598-Q600 PolarHBondContact O-N 3.47Å
599	G	91.4	Very high	92.4	Very high	46 Å²	46	79.6 Å²	79.6	47%	0.474	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.3	13.4	-179.5	0	0	0	0	0	115.1	R595 L596 F601	R595-G599 PolarHBondContact O-N 3.23Å; L596-G599 PolarHBondContact O-N 3.1Å; L596-G599 VanDerWaalsContact O-N 3.15Å; G599-F601 VanDerWaalsContact O-CD2 3.29Å; G599-F601 WeakPolarHBondContact O-CD2 3.36Å; G599-F601 PolarHBondContact O-N 3.13Å
600	Q	91.6	Very high	92.2	Very high	66 Å²	66	76.6 Å²	76.6	31%	0.308	40%	0.399	S	S	.	.			trans	-81.3	54.9	179.7	-55.5	-173.5	-59.3	0	0	111.4	N71 R594 R595 N598 I602	N71-Q600 PolarHBondContact ND2-O 3.24Å; R594-Q600 VanDerWaalsContact NH2-OE1 3.14Å; R595-Q600 HydrophobicContact CB-CB 4.05Å; R595-Q600 HydrophobicContact CG-CB 4.42Å; R595-Q600 WeakPolarHBondContact O-CA 3.35Å; R595-Q600 WeakPolarHBondContact O-CB 3.41Å; R595-Q600 PolarHBondContact O-N 2.73Å; N598-Q600 HydrophobicContact CB-CG 4.15Å; N598-Q600 PolarHBondContact O-N 3.47Å; Q600-I602 VanDerWaalsContact C-N 3.26Å; Q600-I602 PolarHBondContact O-N 2.78Å
601	F	87.4	Confident	92	Very high	140 Å²	140	77.7 Å²	77.7	61%	0.614	40%	0.398	S	S	*	.	S	Bend	trans	-65.3	-28.3	-177.1	-60.3	-71.8	0	0	0	113.3	N71 L596 G599	N71-F601 PolarHBondContact ND2-O 3.43Å; L596-F601 HydrophobicContact CD2-CD1 3.62Å; L596-F601 HydrophobicContact CD2-CE1 3.75Å; G599-F601 VanDerWaalsContact O-CD2 3.29Å; G599-F601 WeakPolarHBondContact O-CD2 3.36Å; G599-F601 PolarHBondContact O-N 3.13Å
602	I	88.1	Confident	91.7	Very high	162 Å²	162	83.2 Å²	83.2	83%	0.831	43%	0.426	S	S	*	.	S	Bend	trans	-119.2	93.3	171.4	-55.8	176.1	0	0	0	107.8	Q600	Q600-I602 VanDerWaalsContact C-N 3.26Å; Q600-I602 PolarHBondContact O-N 2.78Å
603	Y	89.2	Confident	91.4	Very high	52 Å²	52	88.2 Å²	88.2	20%	0.204	45%	0.451	C	S	.	.			trans	-100.8	121.7	169.8	-174.1	-89.5	0	0	0	109.6	A67 K69 S70 N71 R595 P605	A67-Y603 WeakPolarHBondContact O-CE1 3.27Å; A67-Y603 PolarHBondContact O-OH 2.94Å; K69-Y603 VanDerWaalsContact O-CD1 3.23Å; K69-Y603 WeakPolarHBondContact O-CD1 3.26Å; K69-Y603 WeakPolarHBondContact O-CE1 3.35Å; S70-Y603 VanDerWaalsContact CA-O 3.22Å; S70-Y603 WeakPolarHBondContact CA-O 3.34Å; S70-Y603 VanDerWaalsContact CB-O 3.31Å; S70-Y603 WeakPolarHBondContact CB-O 3.49Å; N71-Y603 PolarHBondContact N-O 3.5Å; N71-Y603 PolarHBondContact ND2-N 3.46Å; N71-Y603 WeakPolarHBondContact OD1-CB 3.42Å; R595-Y603 VanDerWaalsContact NH1-CD1 3.35Å; Y603-P605 HydrophobicContact CE1-CB 4.2Å
604	K	85	Confident	91	Very high	186 Å²	186	85.7 Å²	85.7	81%	0.809	45%	0.446	S	S	*	.			trans	-133	117.4	172.4	-167.4	174.6	175.9	-178.8	0	109.1
605	P	85.4	Confident	90.6	Very high	41 Å²	41	88.5 Å²	88.5	27%	0.266	47%	0.468	S	S	.	.			trans	-73.1	0	-176.7	30.5	-37.7	0	0	0	114.5	A67 A68 K139 Y140 Y603	A67-P605 WeakPolarHBondContact O-CB 3.27Å; A68-P605 WeakPolarHBondContact O-CG 3.3Å; K139-P605 PolarHBondContact NZ-OXT 3.48Å; Y140-P605 HydrophobicContact CE2-CB 3.98Å; Y140-P605 WeakPolarHBondContact OH-CB 3.4Å; Y603-P605 HydrophobicContact CE1-CB 4.2Å

Retrieved 605 of 605 residues in 842.7 ms (Link to these results)

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