A0A090N7S8_HUMAN Loading...

Zinc finger protein 398

AlphaFold DB (Q8TD17), UniProt , Accession A0A090N7S8, Species HUMAN (Homo sapiens, Human), Gene ZNF398, Length 642 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	32.7	Very low	34.1	Very low	250 Å²	250	131.9 Å²	131.9	100%	1.232	82%	0.823	S	S	*	*				0	55.2	0	-73.8	-170	160.2	0	0	111.4
2	A	37	Very low	34.6	Very low	103 Å²	103	140.3 Å²	140.3	85%	0.851	83%	0.828	S	S	*	*			trans	-136.8	74.3	170	0	0	0	0	0	106
3	E	34.1	Very low	34.7	Very low	195 Å²	195	138.5 Å²	138.5	91%	0.911	81%	0.812	S	S	*	*			trans	-76.4	127.9	171	-146.7	173.2	167.5	0	0	106.9	A5	E3-A5 PolarHBondContact O-N 2.92Å
4	A	32.5	Very low	35.3	Very low	97 Å²	97	134.6 Å²	134.6	80%	0.802	80%	0.796	S	S	*	*			trans	-59.9	108.5	-176.7	0	0	0	0	0	109.7	P6	A4-P6 WeakPolarHBondContact O-CD 3.31Å
5	A	32.4	Very low	35.6	Very low	95 Å²	95	137.1 Å²	137.1	79%	0.785	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-63	123.2	173.5	0	0	0	0	0	109.2	E3	E3-A5 PolarHBondContact O-N 2.92Å
6	P	34.1	Very low	35.8	Very low	119 Å²	119	135 Å²	135	77%	0.773	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-71	147.4	179.3	28.3	-31.6	0	0	0	110.5	A4	A4-P6 WeakPolarHBondContact O-CD 3.31Å
7	A	32.4	Very low	36.1	Very low	86 Å²	86	135.2 Å²	135.2	71%	0.711	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-54.3	134.4	179.2	0	0	0	0	0	111.4	T9	A7-T9 PolarHBondContact O-N 2.66Å
8	P	37.2	Very low	36.4	Very low	131 Å²	131	134.1 Å²	134.1	85%	0.851	78%	0.782	S	S	*	*			trans	-72.4	103.6	-180	28.3	-31.5	0	0	0	109.5	S10	P8-S10 PolarHBondContact O-N 2.85Å
9	T	32.6	Very low	36.8	Very low	127 Å²	127	132.9 Å²	132.9	78%	0.779	78%	0.782	S	S	*	*			trans	-71.7	104.9	162.7	46.1	0	0	0	0	108.9	A7 E11	A7-T9 PolarHBondContact O-N 2.66Å; T9-E11 PolarHBondContact O-N 3.32Å
10	S	37.5	Very low	36.6	Very low	84 Å²	84	133.5 Å²	133.5	59%	0.587	78%	0.781	S	S	*	*			trans	51.4	57.4	139.8	-167	0	0	0	0	118.1	P8 W12	P8-S10 PolarHBondContact O-N 2.85Å; S10-W12 VanDerWaalsContact C-N 3.29Å
11	E	32.6	Very low	36.8	Very low	164 Å²	164	135.6 Å²	135.6	77%	0.766	78%	0.783	S	S	*	*			trans	-83.8	-0.8	162.1	-80.4	-173	145.5	0	0	113.4	T9 D13 S14	T9-E11 PolarHBondContact O-N 3.32Å; E11-D13 VanDerWaalsContact C-N 3.29Å; E11-D13 PolarHBondContact O-N 2.83Å; E11-S14 PolarHBondContact O-N 3.26Å
12	W	40.3	Very low	37.2	Very low	233 Å²	233	129.5 Å²	129.5	88%	0.883	76%	0.762	S	S	*	*	H	α-helix	trans	-77.4	-13.5	-171.1	-70.4	34.6	0	0	0	113.9	S10	S10-W12 VanDerWaalsContact C-N 3.29Å
13	D	36	Very low	37.3	Very low	116 Å²	116	132.4 Å²	132.4	62%	0.62	76%	0.763	S	S	*	*	H	α-helix	trans	-85.1	-11.2	-180	-70.9	-26.9	0	0	0	113.5	E11	E11-D13 VanDerWaalsContact C-N 3.29Å; E11-D13 PolarHBondContact O-N 2.83Å
14	S	42.6	Very low	37.5	Very low	85 Å²	85	128.8 Å²	128.8	59%	0.594	76%	0.756	S	S	*	*	H	α-helix	trans	-90.5	-30.2	-174.7	-63.8	0	0	0	0	114.2	E11 T18	E11-S14 PolarHBondContact O-N 3.26Å; S14-T18 PolarHBondContact O-OG1 2.95Å
15	E	39.3	Very low	37.7	Very low	172 Å²	172	131.3 Å²	131.3	80%	0.804	76%	0.755	S	S	*	*	H	α-helix	trans	-79.6	-23.8	-179.2	-70.8	-168.8	153.5	0	0	113.5
16	C	40.1	Very low	38.1	Very low	103 Å²	103	132.6 Å²	132.6	70%	0.696	76%	0.756	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.2	-20	-179.7	-76.1	0	0	0	0	113.9
17	L	39.8	Very low	38.5	Very low	139 Å²	139	133.4 Å²	133.4	73%	0.728	76%	0.759	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.5	-18.1	-178.6	-83	164.4	0	0	0	113.7
18	T	42.5	Very low	39.2	Very low	115 Å²	115	134.6 Å²	134.6	71%	0.706	76%	0.759	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.7	-14.4	-173.2	-33.9	0	0	0	0	113.9	S14	S14-T18 PolarHBondContact O-OG1 2.95Å
19	S	42.7	Very low	39.4	Very low	112 Å²	112	132.4 Å²	132.4	78%	0.783	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.6	5.2	-179.6	-87.7	0	0	0	0	115.7
20	L	34.2	Very low	40	Very low	144 Å²	144	130.3 Å²	130.3	75%	0.754	74%	0.741	S	S	*	*			trans	-107.1	61.6	175.2	-67.5	174.6	0	0	0	110.9	P22	L20-P22 WeakPolarHBondContact O-CD 3.32Å
21	Q	39.2	Very low	40.6	Very low	177 Å²	177	130.1 Å²	130.1	83%	0.827	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-80	121.4	160.1	-84.9	-166.3	-35.1	0	0	109.4	L23	Q21-L23 PolarHBondContact O-N 3.38Å
22	P	42	Very low	41.6	Very low	123 Å²	123	129.8 Å²	129.8	80%	0.799	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-66.5	128.7	176.5	-18.6	32	0	0	0	111.3	L20	L20-P22 WeakPolarHBondContact O-CD 3.32Å
23	L	38.5	Very low	42.2	Very low	164 Å²	164	124.3 Å²	124.3	86%	0.859	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-62.1	135	172.4	-87.2	158.4	0	0	0	110.5	Q21 L25	Q21-L23 PolarHBondContact O-N 3.38Å; L23-L25 PolarHBondContact O-N 2.8Å
24	P	38.5	Very low	43.2	Very low	119 Å²	119	120.6 Å²	120.6	77%	0.773	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-69.2	128.4	-178.8	-15	28.8	0	0	0	112.3
25	L	38.1	Very low	44.2	Very low	149 Å²	149	124.2 Å²	124.2	78%	0.78	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-75.3	133.1	176.4	-83.7	151.2	0	0	0	111.8	L23	L23-L25 PolarHBondContact O-N 2.8Å
26	P	39.6	Very low	45.5	Very low	123 Å²	123	122.6 Å²	122.6	80%	0.799	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-77.4	147.4	173.9	-11	27	0	0	0	113.7
27	T	43.3	Very low	47.1	Very low	136 Å²	136	120.5 Å²	120.5	83%	0.834	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-74.7	142.4	-177.4	43.2	0	0	0	0	114.6
28	P	45.9	Very low	48.9	Very low	110 Å²	110	118 Å²	118	71%	0.714	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-97.6	147.5	-165	36.2	-34.8	0	0	0	116.4
29	P	42.1	Very low	50.5	Low	85 Å²	85	115 Å²	115	55%	0.552	68%	0.678	S	S	*	*			trans	-103.6	178.7	166.4	38.1	-30.2	0	0	0	114.6
30	A	45.4	Very low	52.3	Low	84 Å²	84	111.7 Å²	111.7	69%	0.694	66%	0.657	S	S	*	*			trans	-65.9	128.1	-148.8	0	0	0	0	0	120.6	N32	A30-N32 PolarHBondContact O-N 3.27Å
31	A	51	Low	54.6	Low	80 Å²	80	109.1 Å²	109.1	66%	0.661	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	47.2	-49.9	147.9	0	0	0	0	0	122.9
32	N	52.7	Low	56.8	Low	157 Å²	157	103.7 Å²	103.7	84%	0.84	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.2	-16.5	-179.8	-71.3	-7.9	0	0	0	112.6	A30 A34	A30-N32 PolarHBondContact O-N 3.27Å; N32-A34 VanDerWaalsContact C-N 3.29Å
33	E	52.5	Low	59.1	Low	117 Å²	117	103.2 Å²	103.2	55%	0.547	62%	0.615	S	S	.	*	S	Bend	trans	-72.6	-22.6	166.5	-139.6	100.1	-158.6	0	0	112	H35 L36 Q37	E33-H35 PolarHBondContact O-N 3.3Å; E33-L36 PolarHBondContact O-N 3.49Å; E33-Q37 HydrophobicContact CB-CG 4.48Å; E33-Q37 HydrophobicContact CG-CG 4.11Å; E33-Q37 WeakPolarHBondContact O-CB 3.37Å; E33-Q37 WeakPolarHBondContact O-CG 3.45Å; E33-Q37 PolarHBondContact O-N 2.68Å
34	A	57.8	Low	61.5	Low	38 Å²	38	104.3 Å²	104.3	31%	0.314	61%	0.608	S	S	.	*	H	α-helix	trans	-63	-37.6	-167.1	0	0	0	0	0	113.8	N32 T38	N32-A34 VanDerWaalsContact C-N 3.29Å; A34-T38 VanDerWaalsContact O-CB 3.31Å; A34-T38 WeakPolarHBondContact O-CB 3.41Å; A34-T38 PolarHBondContact O-N 3.44Å; A34-T38 PolarHBondContact O-OG1 3.43Å
35	H	62.2	Low	64	Low	162 Å²	162	102.5 Å²	102.5	75%	0.75	59%	0.594	S	S	*	*	H	α-helix	trans	-71.5	-41.7	177.4	-84.1	-66.7	0	0	0	112.5	E33 T38 A39	E33-H35 PolarHBondContact O-N 3.3Å; H35-T38 PolarHBondContact O-N 2.93Å; H35-A39 WeakPolarHBondContact O-CB 3.16Å; H35-A39 PolarHBondContact O-N 2.89Å
36	L	67.8	Low	66.6	Low	137 Å²	137	99.4 Å²	99.4	72%	0.717	58%	0.582	S	S	*	*	H	α-helix	trans	-66	-40.6	174.6	-95.8	156.1	0	0	0	111.4	E33 A39 A40	E33-L36 PolarHBondContact O-N 3.49Å; L36-A39 PolarHBondContact O-N 3.47Å; L36-A40 WeakPolarHBondContact O-CB 3.41Å; L36-A40 PolarHBondContact O-N 3.2Å
37	Q	72.8	Confident	69.2	Low	59 Å²	59	96.2 Å²	96.2	28%	0.276	56%	0.56	S	S	.	*	H	α-helix	trans	-64.4	-42.6	173.4	-74.8	-178.6	-6.2	0	0	111.7	E33 A39 A40 I41	E33-Q37 HydrophobicContact CB-CG 4.48Å; E33-Q37 HydrophobicContact CG-CG 4.11Å; E33-Q37 WeakPolarHBondContact O-CB 3.37Å; E33-Q37 WeakPolarHBondContact O-CG 3.45Å; E33-Q37 PolarHBondContact O-N 2.68Å; Q37-A39 PolarHBondContact O-N 3.45Å; Q37-A40 PolarHBondContact O-N 3.41Å; Q37-I41 WeakPolarHBondContact O-CB 3.44Å; Q37-I41 WeakPolarHBondContact O-CD1 3.48Å; Q37-I41 WeakPolarHBondContact O-CG1 3.43Å; Q37-I41 PolarHBondContact O-N 2.86Å
38	T	77.3	Confident	71.6	Confident	87 Å²	87	92.3 Å²	92.3	53%	0.534	54%	0.541	S	S	.	.	H	α-helix	trans	-62.5	-44.1	176.5	-56.7	0	0	0	0	111	A34 H35 I41 S42	A34-T38 VanDerWaalsContact O-CB 3.31Å; A34-T38 WeakPolarHBondContact O-CB 3.41Å; A34-T38 PolarHBondContact O-N 3.44Å; A34-T38 PolarHBondContact O-OG1 3.43Å; H35-T38 PolarHBondContact O-N 2.93Å; T38-I41 PolarHBondContact O-N 2.69Å; T38-S42 WeakPolarHBondContact O-CB 3.33Å; T38-S42 PolarHBondContact O-N 3.37Å; T38-S42 PolarHBondContact O-OG 2.89Å
39	A	77.7	Confident	73.8	Confident	52 Å²	52	89.5 Å²	89.5	43%	0.43	53%	0.527	S	S	.	.	H	α-helix	trans	-62.1	-44.6	174.9	0	0	0	0	0	111.5	H35 L36 Q37 S42 L43	H35-A39 WeakPolarHBondContact O-CB 3.16Å; H35-A39 PolarHBondContact O-N 2.89Å; L36-A39 PolarHBondContact O-N 3.47Å; Q37-A39 PolarHBondContact O-N 3.45Å; A39-S42 WeakPolarHBondContact CA-OG 3.33Å; A39-S42 PolarHBondContact O-N 3.31Å; A39-S42 PolarHBondContact O-OG 3.26Å; A39-L43 PolarHBondContact O-N 2.99Å
40	A	80.9	Confident	76.2	Confident	42 Å²	42	88.7 Å²	88.7	35%	0.347	52%	0.521	S	S	.	.	H	α-helix	trans	-62	-45.7	176	0	0	0	0	0	112.1	L36 Q37 S42 L43 W44	L36-A40 WeakPolarHBondContact O-CB 3.41Å; L36-A40 PolarHBondContact O-N 3.2Å; Q37-A40 PolarHBondContact O-N 3.41Å; A40-S42 VanDerWaalsContact C-N 3.32Å; A40-S42 PolarHBondContact O-N 3.42Å; A40-L43 PolarHBondContact O-N 2.9Å; A40-W44 PolarHBondContact O-N 3.2Å
41	I	82	Confident	78.6	Confident	91 Å²	91	89 Å²	89	47%	0.467	51%	0.508	S	S	.	.	H	α-helix	trans	-59.1	-46	175.7	-68	161.5	0	0	0	109.8	Q37 T38 L43 W44 T45	Q37-I41 WeakPolarHBondContact O-CB 3.44Å; Q37-I41 WeakPolarHBondContact O-CD1 3.48Å; Q37-I41 WeakPolarHBondContact O-CG1 3.43Å; Q37-I41 PolarHBondContact O-N 2.86Å; T38-I41 PolarHBondContact O-N 2.69Å; I41-L43 VanDerWaalsContact C-N 3.32Å; I41-L43 PolarHBondContact O-N 2.86Å; I41-W44 PolarHBondContact O-N 3.46Å; I41-T45 HydrophobicContact CG2-CG2 4.4Å; I41-T45 WeakPolarHBondContact O-CG2 3.34Å; I41-T45 PolarHBondContact O-N 3.48Å; I41-T45 PolarHBondContact O-OG1 3.46Å
42	S	85	Confident	80.6	Confident	62 Å²	62	87.9 Å²	87.9	43%	0.434	50%	0.498	S	S	.	.	H	α-helix	trans	-60	-42	177.2	74	0	0	0	0	111.9	T38 A39 A40 T45 V46	T38-S42 WeakPolarHBondContact O-CB 3.33Å; T38-S42 PolarHBondContact O-N 3.37Å; T38-S42 PolarHBondContact O-OG 2.89Å; A39-S42 WeakPolarHBondContact CA-OG 3.33Å; A39-S42 PolarHBondContact O-N 3.31Å; A39-S42 PolarHBondContact O-OG 3.26Å; A40-S42 VanDerWaalsContact C-N 3.32Å; A40-S42 PolarHBondContact O-N 3.42Å; S42-T45 WeakPolarHBondContact CA-OG1 3.33Å; S42-T45 PolarHBondContact O-N 3.22Å; S42-T45 PolarHBondContact O-OG1 2.85Å; S42-V46 WeakPolarHBondContact O-CG2 3.33Å; S42-V46 PolarHBondContact O-N 3.4Å
43	L	89.5	Confident	82.6	Confident	113 Å²	113	85.4 Å²	85.4	59%	0.592	48%	0.484	S	S	*	.	H	α-helix	trans	-63.5	-46.1	176	-174.6	67.7	0	0	0	111.8	A39 A40 I41 T45 V46 V47	A39-L43 PolarHBondContact O-N 2.99Å; A40-L43 PolarHBondContact O-N 2.9Å; I41-L43 VanDerWaalsContact C-N 3.32Å; I41-L43 PolarHBondContact O-N 2.86Å; L43-T45 VanDerWaalsContact C-N 3.32Å; L43-T45 PolarHBondContact O-N 3.48Å; L43-V46 PolarHBondContact O-N 3.31Å; L43-V47 WeakPolarHBondContact O-CG2 3.42Å; L43-V47 PolarHBondContact O-N 3.39Å
44	W	89.7	Confident	84.7	Confident	188 Å²	188	85.6 Å²	85.6	71%	0.712	49%	0.485	S	S	*	.	H	α-helix	trans	-61.5	-38.7	176.3	-78.9	108.4	0	0	0	112.3	A40 I41 V47 A48	A40-W44 PolarHBondContact O-N 3.2Å; I41-W44 PolarHBondContact O-N 3.46Å; W44-V47 PolarHBondContact O-N 2.92Å; W44-A48 VanDerWaalsContact O-CB 3.29Å; W44-A48 WeakPolarHBondContact O-CB 3.32Å; W44-A48 PolarHBondContact O-N 2.87Å
45	T	91.3	Very high	86.4	Confident	80 Å²	80	91.9 Å²	91.9	49%	0.491	50%	0.501	S	S	.	.	H	α-helix	trans	-65.4	-39.4	175	59.7	0	0	0	0	112.2	I41 S42 L43 A48 A49	I41-T45 HydrophobicContact CG2-CG2 4.4Å; I41-T45 WeakPolarHBondContact O-CG2 3.34Å; I41-T45 PolarHBondContact O-N 3.48Å; I41-T45 PolarHBondContact O-OG1 3.46Å; S42-T45 WeakPolarHBondContact CA-OG1 3.33Å; S42-T45 PolarHBondContact O-N 3.22Å; S42-T45 PolarHBondContact O-OG1 2.85Å; L43-T45 VanDerWaalsContact C-N 3.32Å; L43-T45 PolarHBondContact O-N 3.48Å; T45-A48 PolarHBondContact O-N 3.02Å; T45-A49 WeakPolarHBondContact O-CB 3.29Å; T45-A49 PolarHBondContact O-N 2.88Å
46	V	92	Very high	88	Confident	85 Å²	85	90.5 Å²	90.5	52%	0.515	49%	0.493	S	S	.	.	H	α-helix	trans	-65.5	-45.9	174.8	172.7	0	0	0	0	110.5	S42 L43 A48 A49 V50	S42-V46 WeakPolarHBondContact O-CG2 3.33Å; S42-V46 PolarHBondContact O-N 3.4Å; L43-V46 PolarHBondContact O-N 3.31Å; V46-A48 PolarHBondContact O-N 2.79Å; V46-A49 PolarHBondContact O-N 3.47Å; V46-V50 HydrophobicContact CG1-CG2 4.44Å; V46-V50 VanDerWaalsContact O-CG2 3.32Å; V46-V50 WeakPolarHBondContact O-CG2 3.12Å; V46-V50 PolarHBondContact O-N 3.07Å
47	V	94.2	Very high	89.3	Confident	55 Å²	55	88.3 Å²	88.3	33%	0.333	49%	0.485	S	S	.	.	H	α-helix	trans	-61	-44	176.9	171.9	0	0	0	0	111.2	L43 W44 A49 V50 Q51	L43-V47 WeakPolarHBondContact O-CG2 3.42Å; L43-V47 PolarHBondContact O-N 3.39Å; W44-V47 PolarHBondContact O-N 2.92Å; V47-A49 VanDerWaalsContact C-N 3.34Å; V47-A49 PolarHBondContact O-N 2.95Å; V47-V50 PolarHBondContact O-N 3.3Å; V47-Q51 HydrophobicContact CG1-CG 4.47Å; V47-Q51 WeakPolarHBondContact O-CB 3.33Å; V47-Q51 WeakPolarHBondContact O-CG 3.47Å; V47-Q51 PolarHBondContact O-N 2.87Å
48	A	93.1	Very high	90.4	Very high	54 Å²	54	89.8 Å²	89.8	45%	0.446	49%	0.492	S	S	.	.	H	α-helix	trans	-63.7	-39.5	176.6	0	0	0	0	0	111.9	W44 T45 V46 Q51 A52	W44-A48 VanDerWaalsContact O-CB 3.29Å; W44-A48 WeakPolarHBondContact O-CB 3.32Å; W44-A48 PolarHBondContact O-N 2.87Å; T45-A48 PolarHBondContact O-N 3.02Å; V46-A48 PolarHBondContact O-N 2.79Å; A48-Q51 PolarHBondContact O-N 3.03Å; A48-A52 WeakPolarHBondContact O-CB 3.37Å; A48-A52 PolarHBondContact O-N 3.22Å
49	A	92.9	Very high	91.3	Very high	51 Å²	51	89.9 Å²	89.9	42%	0.421	49%	0.488	S	S	.	.	H	α-helix	trans	-64.9	-43	174.8	0	0	0	0	0	111.7	T45 V46 V47 A52 I53	T45-A49 WeakPolarHBondContact O-CB 3.29Å; T45-A49 PolarHBondContact O-N 2.88Å; V46-A49 PolarHBondContact O-N 3.47Å; V47-A49 VanDerWaalsContact C-N 3.34Å; V47-A49 PolarHBondContact O-N 2.95Å; A49-A52 PolarHBondContact O-N 3.1Å; A49-I53 VanDerWaalsContact O-CG1 3.28Å; A49-I53 WeakPolarHBondContact O-CG1 3.43Å; A49-I53 PolarHBondContact O-N 3.03Å
50	V	92.8	Very high	92.2	Very high	69 Å²	69	91.5 Å²	91.5	42%	0.418	49%	0.486	S	S	.	.	H	α-helix	trans	-61.8	-47.9	174.9	172.2	0	0	0	0	110.6	V46 V47 A52 I53 E54	V46-V50 HydrophobicContact CG1-CG2 4.44Å; V46-V50 VanDerWaalsContact O-CG2 3.32Å; V46-V50 WeakPolarHBondContact O-CG2 3.12Å; V46-V50 PolarHBondContact O-N 3.07Å; V47-V50 PolarHBondContact O-N 3.3Å; V50-A52 VanDerWaalsContact C-N 3.3Å; V50-A52 PolarHBondContact O-N 2.85Å; V50-I53 WeakPolarHBondContact O-CB 3.47Å; V50-I53 PolarHBondContact O-N 2.87Å; V50-I53 VanDerWaalsContact O-N 3.1Å; V50-E54 HydrophobicContact CG1-CG 4.47Å; V50-E54 WeakPolarHBondContact O-CG 3.3Å; V50-E54 PolarHBondContact O-N 3.21Å
51	Q	95.1	Very high	92.9	Very high	90 Å²	90	91.9 Å²	91.9	42%	0.421	49%	0.486	S	S	.	.	H	α-helix	trans	-61.5	-36.4	176.2	-74.4	179.2	-6.9	0	0	112.7	V47 A48 E54 R55	V47-Q51 HydrophobicContact CG1-CG 4.47Å; V47-Q51 WeakPolarHBondContact O-CB 3.33Å; V47-Q51 WeakPolarHBondContact O-CG 3.47Å; V47-Q51 PolarHBondContact O-N 2.87Å; A48-Q51 PolarHBondContact O-N 3.03Å; Q51-E54 PolarHBondContact O-N 3.2Å; Q51-R55 WeakPolarHBondContact O-CG 3.37Å; Q51-R55 PolarHBondContact O-N 3.47Å
52	A	94.4	Very high	93.5	Very high	56 Å²	56	95.2 Å²	95.2	46%	0.463	49%	0.493	S	S	.	.	H	α-helix	trans	-65.6	-40.2	174.4	0	0	0	0	0	111.6	A48 A49 V50 K56	A48-A52 WeakPolarHBondContact O-CB 3.37Å; A48-A52 PolarHBondContact O-N 3.22Å; A49-A52 PolarHBondContact O-N 3.1Å; V50-A52 VanDerWaalsContact C-N 3.3Å; V50-A52 PolarHBondContact O-N 2.85Å; A52-K56 WeakPolarHBondContact O-CB 3.28Å; A52-K56 PolarHBondContact O-N 3.35Å
53	I	94.5	Very high	93.9	Very high	106 Å²	106	99.5 Å²	99.5	54%	0.544	50%	0.5	S	S	.	.	H	α-helix	trans	-65.2	-45.4	174.4	-68.1	165	0	0	0	110.6	A49 V50 R55 K56 V57	A49-I53 VanDerWaalsContact O-CG1 3.28Å; A49-I53 WeakPolarHBondContact O-CG1 3.43Å; A49-I53 PolarHBondContact O-N 3.03Å; V50-I53 WeakPolarHBondContact O-CB 3.47Å; V50-I53 PolarHBondContact O-N 2.87Å; V50-I53 VanDerWaalsContact O-N 3.1Å; I53-R55 PolarHBondContact O-N 3.32Å; I53-K56 WeakPolarHBondContact O-CB 3.42Å; I53-K56 PolarHBondContact O-N 3.19Å; I53-K56 VanDerWaalsContact O-N 3.09Å; I53-V57 HydrophobicContact CG2-CG2 4.28Å; I53-V57 WeakPolarHBondContact O-CG2 3.46Å; I53-V57 PolarHBondContact O-N 3.3Å
54	E	94.7	Very high	94.1	Very high	120 Å²	120	99.1 Å²	99.1	56%	0.561	50%	0.498	S	S	*	.	H	α-helix	trans	-57	-47	176.8	-74.2	175.4	170.9	0	0	111.9	V50 Q51 K56 V57 E58	V50-E54 HydrophobicContact CG1-CG 4.47Å; V50-E54 WeakPolarHBondContact O-CG 3.3Å; V50-E54 PolarHBondContact O-N 3.21Å; Q51-E54 PolarHBondContact O-N 3.2Å; E54-K56 VanDerWaalsContact C-N 3.3Å; E54-K56 PolarHBondContact O-N 3.11Å; E54-V57 PolarHBondContact O-N 3.22Å; E54-E58 WeakPolarHBondContact O-CB 3.16Å; E54-E58 PolarHBondContact O-N 2.98Å
55	R	95.4	Very high	94.3	Very high	170 Å²	170	95.3 Å²	95.3	64%	0.642	49%	0.491	S	S	*	.	H	α-helix	trans	-60.7	-39.7	175.1	-72.1	177.3	-173.3	155.2	4.8	112	Q51 I53 E58 I59	Q51-R55 WeakPolarHBondContact O-CG 3.37Å; Q51-R55 PolarHBondContact O-N 3.47Å; I53-R55 PolarHBondContact O-N 3.32Å; R55-E58 PolarHBondContact O-N 3.33Å; R55-I59 WeakPolarHBondContact O-CD1 3.49Å; R55-I59 VanDerWaalsContact O-CG1 3.25Å; R55-I59 WeakPolarHBondContact O-CG1 3.37Å; R55-I59 PolarHBondContact O-N 3.22Å
56	K	94.8	Very high	94.4	Very high	134 Å²	134	97.1 Å²	97.1	58%	0.583	49%	0.493	S	S	*	.	H	α-helix	trans	-65.8	-41.7	177.3	-169.6	175	-179	-179.8	0	111.3	A52 I53 E54 I59 H60	A52-K56 WeakPolarHBondContact O-CB 3.28Å; A52-K56 PolarHBondContact O-N 3.35Å; I53-K56 WeakPolarHBondContact O-CB 3.42Å; I53-K56 PolarHBondContact O-N 3.19Å; I53-K56 VanDerWaalsContact O-N 3.09Å; E54-K56 VanDerWaalsContact C-N 3.3Å; E54-K56 PolarHBondContact O-N 3.11Å; K56-I59 PolarHBondContact O-N 2.92Å; K56-H60 PolarHBondContact O-CD2 3.39Å; K56-H60 PolarHBondContact O-N 3.34Å
57	V	95.8	Very high	94.4	Very high	91 Å²	91	97.6 Å²	97.6	55%	0.552	49%	0.493	S	S	*	.	H	α-helix	trans	-62.9	-43.9	175.2	172.6	0	0	0	0	110.9	I53 E54 I59 H60 S61	I53-V57 HydrophobicContact CG2-CG2 4.28Å; I53-V57 WeakPolarHBondContact O-CG2 3.46Å; I53-V57 PolarHBondContact O-N 3.3Å; E54-V57 PolarHBondContact O-N 3.22Å; V57-I59 PolarHBondContact O-N 3.3Å; V57-H60 PolarHBondContact O-N 3.39Å; V57-S61 WeakPolarHBondContact O-CB 3.37Å; V57-S61 PolarHBondContact O-N 3.39Å
58	E	95.9	Very high	94.3	Very high	90 Å²	90	100.9 Å²	100.9	42%	0.421	50%	0.504	S	S	.	.	H	α-helix	trans	-61.7	-42.2	176.2	178.4	59.9	-156.1	0	0	112.2	E54 R55 H60 S61 R62	E54-E58 WeakPolarHBondContact O-CB 3.16Å; E54-E58 PolarHBondContact O-N 2.98Å; R55-E58 PolarHBondContact O-N 3.33Å; E58-H60 VanDerWaalsContact C-N 3.35Å; E58-H60 PolarHBondContact O-N 2.97Å; E58-S61 WeakPolarHBondContact O-CB 3.25Å; E58-S61 PolarHBondContact O-N 3.3Å; E58-R62 WeakPolarHBondContact O-CG 3.35Å; E58-R62 PolarHBondContact O-N 2.79Å; E58-R62 IonicContact OE1-CZ 3.84Å; E58-R62 IonicContact OE1-NE 3.99Å; E58-R62 PolarHBondContact OE1-NE 3.35Å; E58-R62 IonicContact OE1-NH2 3.64Å; E58-R62 PolarHBondContact OE1-NH2 3.49Å
59	I	95.7	Very high	94.2	Very high	88 Å²	88	100.4 Å²	100.4	45%	0.451	51%	0.505	S	S	.	.	H	α-helix	trans	-62.4	-43.2	174.2	-68.8	163.8	0	0	0	110.7	R55 K56 V57 R62 R63	R55-I59 WeakPolarHBondContact O-CD1 3.49Å; R55-I59 VanDerWaalsContact O-CG1 3.25Å; R55-I59 WeakPolarHBondContact O-CG1 3.37Å; R55-I59 PolarHBondContact O-N 3.22Å; K56-I59 PolarHBondContact O-N 2.92Å; V57-I59 PolarHBondContact O-N 3.3Å; I59-R62 PolarHBondContact O-N 2.85Å; I59-R63 WeakPolarHBondContact O-CG 3.41Å; I59-R63 PolarHBondContact O-N 3.23Å
60	H	95.6	Very high	94.1	Very high	86 Å²	86	105.4 Å²	105.4	40%	0.398	51%	0.513	S	S	.	.	H	α-helix	trans	-65.9	-39.9	176.8	-75.1	-57.2	0	0	0	112.3	K56 V57 E58 R63 L64	K56-H60 PolarHBondContact O-CD2 3.39Å; K56-H60 PolarHBondContact O-N 3.34Å; V57-H60 PolarHBondContact O-N 3.39Å; E58-H60 VanDerWaalsContact C-N 3.35Å; E58-H60 PolarHBondContact O-N 2.97Å; H60-R63 WeakPolarHBondContact O-CB 3.36Å; H60-R63 PolarHBondContact O-N 3.05Å; H60-L64 WeakPolarHBondContact O-CG 3.32Å; H60-L64 PolarHBondContact O-N 3.09Å
61	S	96	Very high	94.1	Very high	50 Å²	50	105.7 Å²	105.7	35%	0.35	52%	0.515	S	S	.	.	H	α-helix	trans	-55.5	-50.9	173.2	174.1	0	0	0	0	111.4	V57 E58 R63 L64 L65	V57-S61 WeakPolarHBondContact O-CB 3.37Å; V57-S61 PolarHBondContact O-N 3.39Å; E58-S61 WeakPolarHBondContact O-CB 3.25Å; E58-S61 PolarHBondContact O-N 3.3Å; S61-R63 VanDerWaalsContact C-N 3.32Å; S61-R63 PolarHBondContact O-N 3.43Å; S61-L64 PolarHBondContact O-N 3.42Å; S61-L64 VanDerWaalsContact O-N 3.15Å; S61-L65 PolarHBondContact O-N 3.02Å
62	R	95.3	Very high	93.9	Very high	162 Å²	162	102.6 Å²	102.6	61%	0.611	51%	0.507	S	S	*	.	H	α-helix	trans	-61.6	-38.6	177.3	-68.3	178.3	-169.4	-169.3	1.2	112.9	E58 I59 H66	E58-R62 WeakPolarHBondContact O-CG 3.35Å; E58-R62 PolarHBondContact O-N 2.79Å; E58-R62 IonicContact OE1-CZ 3.84Å; E58-R62 IonicContact OE1-NE 3.99Å; E58-R62 PolarHBondContact OE1-NE 3.35Å; E58-R62 IonicContact OE1-NH2 3.64Å; E58-R62 PolarHBondContact OE1-NH2 3.49Å; I59-R62 PolarHBondContact O-N 2.85Å; R62-H66 PolarHBondContact O-N 2.98Å; R62-H66 VanDerWaalsContact O-N 3.09Å
63	R	93.9	Very high	93.8	Very high	152 Å²	152	103.7 Å²	103.7	57%	0.574	51%	0.508	S	S	*	.	H	α-helix	trans	-63.7	-42	175.4	-74.2	175	-179.9	-170.8	0.9	111.5	I59 H60 S61 H66 L67	I59-R63 WeakPolarHBondContact O-CG 3.41Å; I59-R63 PolarHBondContact O-N 3.23Å; H60-R63 WeakPolarHBondContact O-CB 3.36Å; H60-R63 PolarHBondContact O-N 3.05Å; S61-R63 VanDerWaalsContact C-N 3.32Å; S61-R63 PolarHBondContact O-N 3.43Å; R63-H66 PolarHBondContact O-N 3.42Å; R63-L67 WeakPolarHBondContact O-CG 3.44Å; R63-L67 PolarHBondContact O-N 2.9Å
64	L	93.2	Very high	93.6	Very high	105 Å²	105	101.3 Å²	101.3	55%	0.55	50%	0.504	S	S	.	.	H	α-helix	trans	-62.9	-47.7	176.6	-72.6	172.7	0	0	0	111.5	H60 S61 H66 L67 E68	H60-L64 WeakPolarHBondContact O-CG 3.32Å; H60-L64 PolarHBondContact O-N 3.09Å; S61-L64 PolarHBondContact O-N 3.42Å; S61-L64 VanDerWaalsContact O-N 3.15Å; L64-H66 VanDerWaalsContact C-N 3.32Å; L64-H66 PolarHBondContact O-N 3.16Å; L64-L67 WeakPolarHBondContact O-CB 3.33Å; L64-L67 PolarHBondContact O-N 3.37Å; L64-L67 VanDerWaalsContact O-N 3.09Å; L64-E68 WeakPolarHBondContact O-CG 3.43Å; L64-E68 PolarHBondContact O-N 3.17Å
65	L	93.1	Very high	93.5	Very high	107 Å²	107	101.8 Å²	101.8	56%	0.56	51%	0.506	S	S	*	.	H	α-helix	trans	-59	-40.7	176.8	-72.1	170.2	0	0	0	112.9	S61 E68 G69	S61-L65 PolarHBondContact O-N 3.02Å; L65-E68 PolarHBondContact O-N 2.88Å; L65-G69 PolarHBondContact O-N 3.18Å
66	H	93.6	Very high	93.4	Very high	118 Å²	118	101.5 Å²	101.5	55%	0.546	51%	0.51	S	S	.	.	H	α-helix	trans	-67.1	-37.8	175.7	174.6	-101.8	0	0	0	112.3	R62 R63 L64 R70	R62-H66 PolarHBondContact O-N 2.98Å; R62-H66 VanDerWaalsContact O-N 3.09Å; R63-H66 PolarHBondContact O-N 3.42Å; L64-H66 VanDerWaalsContact C-N 3.32Å; L64-H66 PolarHBondContact O-N 3.16Å; H66-R70 WeakPolarHBondContact CE1-CD 3.47Å; H66-R70 WeakPolarHBondContact O-CG 3.39Å; H66-R70 PolarHBondContact O-N 3.47Å
67	L	91.6	Very high	93.4	Very high	96 Å²	96	102.2 Å²	102.2	50%	0.503	51%	0.513	S	S	.	.	H	α-helix	trans	-66.4	-43.5	174.8	-73.3	171.3	0	0	0	111.5	R63 L64 G69 R70 T71	R63-L67 WeakPolarHBondContact O-CG 3.44Å; R63-L67 PolarHBondContact O-N 2.9Å; L64-L67 WeakPolarHBondContact O-CB 3.33Å; L64-L67 PolarHBondContact O-N 3.37Å; L64-L67 VanDerWaalsContact O-N 3.09Å; L67-G69 VanDerWaalsContact C-N 3.35Å; L67-G69 PolarHBondContact O-N 3.46Å; L67-R70 CarbonylContact O-C 3.32Å; L67-R70 WeakPolarHBondContact O-CB 3.25Å; L67-R70 PolarHBondContact O-N 3.5Å; L67-R70 VanDerWaalsContact O-N 3.14Å; L67-T71 WeakPolarHBondContact O-CG2 3.48Å; L67-T71 PolarHBondContact O-N 2.96Å; L67-T71 PolarHBondContact O-OG1 3.22Å
68	E	92.3	Very high	93.2	Very high	123 Å²	123	103.8 Å²	103.8	58%	0.575	52%	0.518	S	S	*	.	H	α-helix	trans	-60.6	-41.6	174.7	-73.8	176.5	171.6	0	0	112.3	L64 L65 R70 T71 G72	L64-E68 WeakPolarHBondContact O-CG 3.43Å; L64-E68 PolarHBondContact O-N 3.17Å; L65-E68 PolarHBondContact O-N 2.88Å; E68-R70 VanDerWaalsContact C-N 3.32Å; E68-R70 PolarHBondContact O-N 2.91Å; E68-T71 WeakPolarHBondContact CA-OG1 3.33Å; E68-T71 PolarHBondContact O-N 2.81Å; E68-T71 PolarHBondContact O-OG1 2.82Å; E68-G72 PolarHBondContact O-N 3.18Å
69	G	91.3	Very high	93.1	Very high	45 Å²	45	101.7 Å²	101.7	46%	0.464	52%	0.515	S	S	.	.	H	α-helix	trans	-60.1	-43.4	172.9	0	0	0	0	0	111.9	L65 L67 T73	L65-G69 PolarHBondContact O-N 3.18Å; L67-G69 VanDerWaalsContact C-N 3.35Å; L67-G69 PolarHBondContact O-N 3.46Å; G69-T73 WeakPolarHBondContact O-CG2 3.45Å; G69-T73 PolarHBondContact O-N 3.01Å
70	R	91.3	Very high	93	Very high	156 Å²	156	100.8 Å²	100.8	59%	0.589	52%	0.517	S	S	*	.	H	α-helix	trans	-66.8	-43.9	176.9	-75.5	176.3	62.6	120.7	-1	112.4	H66 L67 E68 T73 A74	H66-R70 WeakPolarHBondContact CE1-CD 3.47Å; H66-R70 WeakPolarHBondContact O-CG 3.39Å; H66-R70 PolarHBondContact O-N 3.47Å; L67-R70 CarbonylContact O-C 3.32Å; L67-R70 WeakPolarHBondContact O-CB 3.25Å; L67-R70 PolarHBondContact O-N 3.5Å; L67-R70 VanDerWaalsContact O-N 3.14Å; E68-R70 VanDerWaalsContact C-N 3.32Å; E68-R70 PolarHBondContact O-N 2.91Å; R70-T73 PolarHBondContact O-N 3.34Å; R70-T73 PolarHBondContact O-OG1 3.4Å; R70-A74 PolarHBondContact O-N 3.27Å
71	T	92.5	Very high	92.9	Very high	75 Å²	75	100 Å²	100	46%	0.46	52%	0.521	S	S	.	.	H	α-helix	trans	-63	-42.9	177.4	55	0	0	0	0	110.7	L67 E68 T73 A74 E75	L67-T71 WeakPolarHBondContact O-CG2 3.48Å; L67-T71 PolarHBondContact O-N 2.96Å; L67-T71 PolarHBondContact O-OG1 3.22Å; E68-T71 WeakPolarHBondContact CA-OG1 3.33Å; E68-T71 PolarHBondContact O-N 2.81Å; E68-T71 PolarHBondContact O-OG1 2.82Å; T71-T73 VanDerWaalsContact C-N 3.33Å; T71-T73 PolarHBondContact O-N 3.48Å; T71-A74 CarbonylContact O-C 3.18Å; T71-A74 WeakPolarHBondContact O-CA 3.49Å; T71-A74 WeakPolarHBondContact O-CB 3.41Å; T71-A74 PolarHBondContact O-N 3.34Å; T71-E75 WeakPolarHBondContact O-CG 3.36Å; T71-E75 PolarHBondContact O-N 3.25Å
72	G	91	Very high	92.8	Very high	24 Å²	24	104 Å²	104	25%	0.247	53%	0.534	C	S	.	.	H	α-helix	trans	-61.5	-36.9	174.9	0	0	0	0	0	113.5	E68 K76	E68-G72 PolarHBondContact O-N 3.18Å; G72-K76 WeakPolarHBondContact O-CG 3.43Å; G72-K76 PolarHBondContact O-N 2.8Å; G72-K76 VanDerWaalsContact O-N 3.13Å
73	T	91.8	Very high	92.8	Very high	79 Å²	79	103.8 Å²	103.8	49%	0.485	54%	0.537	S	S	.	.	H	α-helix	trans	-69.1	-35.4	172	63.4	0	0	0	0	112.8	G69 R70 T71 K77	G69-T73 WeakPolarHBondContact O-CG2 3.45Å; G69-T73 PolarHBondContact O-N 3.01Å; R70-T73 PolarHBondContact O-N 3.34Å; R70-T73 PolarHBondContact O-OG1 3.4Å; T71-T73 VanDerWaalsContact C-N 3.33Å; T71-T73 PolarHBondContact O-N 3.48Å; T73-K77 WeakPolarHBondContact O-CG 3.47Å; T73-K77 PolarHBondContact O-N 3.49Å; T73-K77 VanDerWaalsContact O-N 3.1Å
74	A	91.7	Very high	92.8	Very high	56 Å²	56	100.1 Å²	100.1	46%	0.463	53%	0.532	S	S	.	.	H	α-helix	trans	-67.6	-41.4	176.4	0	0	0	0	0	111.3	R70 T71 K77 L78	R70-A74 PolarHBondContact O-N 3.27Å; T71-A74 CarbonylContact O-C 3.18Å; T71-A74 WeakPolarHBondContact O-CA 3.49Å; T71-A74 WeakPolarHBondContact O-CB 3.41Å; T71-A74 PolarHBondContact O-N 3.34Å; A74-K77 WeakPolarHBondContact O-CB 3.45Å; A74-K77 PolarHBondContact O-N 3.12Å; A74-L78 WeakPolarHBondContact O-CB 3.27Å; A74-L78 PolarHBondContact O-N 3.32Å
75	E	92.8	Very high	92.9	Very high	130 Å²	130	99.7 Å²	99.7	61%	0.607	53%	0.533	S	S	*	.	H	α-helix	trans	-61.3	-44	174.5	-73.4	173.6	177.8	0	0	112	T71 K77 L78 A79	T71-E75 WeakPolarHBondContact O-CG 3.36Å; T71-E75 PolarHBondContact O-N 3.25Å; E75-K77 VanDerWaalsContact C-N 3.32Å; E75-K77 PolarHBondContact O-N 3.06Å; E75-L78 WeakPolarHBondContact O-CB 3.43Å; E75-L78 PolarHBondContact O-N 3.03Å; E75-L78 VanDerWaalsContact O-N 3.17Å; E75-A79 WeakPolarHBondContact O-CB 3.48Å; E75-A79 PolarHBondContact O-N 2.92Å
76	K	93.3	Very high	92.9	Very high	165 Å²	165	98.2 Å²	98.2	72%	0.717	53%	0.529	S	S	*	.	H	α-helix	trans	-61.2	-40.3	174.4	-73.9	177.6	-177.7	179.1	0	112.4	G72 S80	G72-K76 WeakPolarHBondContact O-CG 3.43Å; G72-K76 PolarHBondContact O-N 2.8Å; G72-K76 VanDerWaalsContact O-N 3.13Å; K76-S80 WeakPolarHBondContact O-CB 3.21Å; K76-S80 PolarHBondContact O-N 3.19Å
77	K	93.1	Very high	93	Very high	148 Å²	148	97.4 Å²	97.4	64%	0.643	53%	0.525	S	S	*	.	H	α-helix	trans	-64.9	-40.4	174.5	-73.2	177.7	-180	-176.9	0	111.3	T73 A74 E75 S80 C81	T73-K77 WeakPolarHBondContact O-CG 3.47Å; T73-K77 PolarHBondContact O-N 3.49Å; T73-K77 VanDerWaalsContact O-N 3.1Å; A74-K77 WeakPolarHBondContact O-CB 3.45Å; A74-K77 PolarHBondContact O-N 3.12Å; E75-K77 VanDerWaalsContact C-N 3.32Å; E75-K77 PolarHBondContact O-N 3.06Å; K77-S80 WeakPolarHBondContact O-CB 3.43Å; K77-S80 PolarHBondContact O-N 3.46Å; K77-C81 PolarHBondContact O-N 3.48Å; K77-C81 PolarHBondContact O-SG 3.41Å
78	L	93.3	Very high	93.1	Very high	125 Å²	125	97.7 Å²	97.7	65%	0.654	53%	0.527	S	S	*	.	H	α-helix	trans	-65	-45.7	177.5	-169.7	67.9	0	0	0	111.4	A74 E75 S80 C81 E82	A74-L78 WeakPolarHBondContact O-CB 3.27Å; A74-L78 PolarHBondContact O-N 3.32Å; E75-L78 WeakPolarHBondContact O-CB 3.43Å; E75-L78 PolarHBondContact O-N 3.03Å; E75-L78 VanDerWaalsContact O-N 3.17Å; L78-S80 VanDerWaalsContact C-N 3.3Å; L78-S80 PolarHBondContact O-N 3.35Å; L78-C81 WeakPolarHBondContact O-CB 3.28Å; L78-C81 PolarHBondContact O-N 3.05Å; L78-C81 VanDerWaalsContact O-N 3.1Å; L78-E82 PolarHBondContact O-N 2.85Å
79	A	93.3	Very high	93.2	Very high	45 Å²	45	93.5 Å²	93.5	37%	0.372	52%	0.517	S	S	.	.	H	α-helix	trans	-62.4	-36.2	174.9	0	0	0	0	0	112.3	E75 K83	E75-A79 WeakPolarHBondContact O-CB 3.48Å; E75-A79 PolarHBondContact O-N 2.92Å; A79-K83 WeakPolarHBondContact O-CG 3.06Å; A79-K83 PolarHBondContact O-N 3.23Å; A79-K83 VanDerWaalsContact O-N 3.15Å
80	S	93.4	Very high	93.3	Very high	70 Å²	70	96 Å²	96	49%	0.49	52%	0.519	S	S	.	.	H	α-helix	trans	-65.2	-42.4	171.8	-171.7	0	0	0	0	111.7	K76 K77 L78 K83 T84	K76-S80 WeakPolarHBondContact O-CB 3.21Å; K76-S80 PolarHBondContact O-N 3.19Å; K77-S80 WeakPolarHBondContact O-CB 3.43Å; K77-S80 PolarHBondContact O-N 3.46Å; L78-S80 VanDerWaalsContact C-N 3.3Å; L78-S80 PolarHBondContact O-N 3.35Å; S80-K83 PolarHBondContact O-N 2.8Å; S80-T84 WeakPolarHBondContact O-CG2 3.47Å; S80-T84 PolarHBondContact O-N 3.41Å; S80-T84 VanDerWaalsContact O-N 3.13Å
81	C	93.1	Very high	93.4	Very high	70 Å²	70	93.1 Å²	93.1	47%	0.473	51%	0.513	S	S	.	.	H	α-helix	trans	-63.7	-42.6	176.7	-67.3	0	0	0	0	111.1	K77 L78 K83 T84 V85	K77-C81 PolarHBondContact O-N 3.48Å; K77-C81 PolarHBondContact O-SG 3.41Å; L78-C81 WeakPolarHBondContact O-CB 3.28Å; L78-C81 PolarHBondContact O-N 3.05Å; L78-C81 VanDerWaalsContact O-N 3.1Å; C81-K83 PolarHBondContact O-N 3.1Å; C81-T84 WeakPolarHBondContact CA-OG1 3.32Å; C81-T84 PolarHBondContact O-N 3.02Å; C81-T84 VanDerWaalsContact O-N 3.14Å; C81-T84 PolarHBondContact O-OG1 3.15Å; C81-V85 WeakPolarHBondContact O-CG2 3.5Å; C81-V85 PolarHBondContact O-N 2.86Å
82	E	94.5	Very high	93.5	Very high	134 Å²	134	94 Å²	94	63%	0.626	51%	0.514	S	S	*	.	H	α-helix	trans	-56.9	-47.4	176.4	-172.3	178.8	178.5	0	0	111.5	L78 T84 V85 T86	L78-E82 PolarHBondContact O-N 2.85Å; E82-T84 VanDerWaalsContact C-N 3.33Å; E82-T84 PolarHBondContact O-N 2.89Å; E82-V85 PolarHBondContact O-N 2.99Å; E82-V85 VanDerWaalsContact O-N 3.12Å; E82-T86 PolarHBondContact O-N 2.99Å; E82-T86 PolarHBondContact O-OG1 3.32Å
83	K	94.8	Very high	93.6	Very high	156 Å²	156	99.4 Å²	99.4	68%	0.678	53%	0.533	S	S	*	.	H	α-helix	trans	-59	-41.2	174.8	-71.5	178.4	-178.5	-176.1	0	113.1	A79 S80 C81 V85 T86 E87	A79-K83 WeakPolarHBondContact O-CG 3.06Å; A79-K83 PolarHBondContact O-N 3.23Å; A79-K83 VanDerWaalsContact O-N 3.15Å; S80-K83 PolarHBondContact O-N 2.8Å; C81-K83 PolarHBondContact O-N 3.1Å; K83-V85 VanDerWaalsContact C-N 3.32Å; K83-T86 WeakPolarHBondContact CA-OG1 3.47Å; K83-T86 PolarHBondContact O-N 2.72Å; K83-T86 PolarHBondContact O-OG1 3.15Å; K83-E87 WeakPolarHBondContact O-CB 3.33Å; K83-E87 PolarHBondContact O-N 3.06Å
84	T	93.6	Very high	93.6	Very high	76 Å²	76	97.6 Å²	97.6	47%	0.466	53%	0.53	S	S	.	.	H	α-helix	trans	-67.3	-34.4	176.8	59	0	0	0	0	112.3	S80 C81 E82 L88	S80-T84 WeakPolarHBondContact O-CG2 3.47Å; S80-T84 PolarHBondContact O-N 3.41Å; S80-T84 VanDerWaalsContact O-N 3.13Å; C81-T84 WeakPolarHBondContact CA-OG1 3.32Å; C81-T84 PolarHBondContact O-N 3.02Å; C81-T84 VanDerWaalsContact O-N 3.14Å; C81-T84 PolarHBondContact O-OG1 3.15Å; E82-T84 VanDerWaalsContact C-N 3.33Å; E82-T84 PolarHBondContact O-N 2.89Å; T84-L88 WeakPolarHBondContact O-CB 3.37Å; T84-L88 VanDerWaalsContact O-CG 3.3Å; T84-L88 WeakPolarHBondContact O-CG 3.49Å; T84-L88 PolarHBondContact O-N 3.05Å
85	V	94.6	Very high	93.7	Very high	96 Å²	96	101.3 Å²	101.3	58%	0.582	54%	0.535	S	S	*	.	H	α-helix	trans	-69.6	-41.5	176.5	171.6	0	0	0	0	110.8	C81 E82 K83 L88 G89	C81-V85 WeakPolarHBondContact O-CG2 3.5Å; C81-V85 PolarHBondContact O-N 2.86Å; E82-V85 PolarHBondContact O-N 2.99Å; E82-V85 VanDerWaalsContact O-N 3.12Å; K83-V85 VanDerWaalsContact C-N 3.32Å; V85-L88 PolarHBondContact O-N 3.14Å; V85-G89 PolarHBondContact O-N 3.12Å
86	T	94.9	Very high	93.7	Very high	76 Å²	76	103.3 Å²	103.3	47%	0.466	54%	0.538	S	S	.	.	H	α-helix	trans	-63.8	-40.7	175.9	53.4	0	0	0	0	111.9	E82 K83 G89 N90	E82-T86 PolarHBondContact O-N 2.99Å; E82-T86 PolarHBondContact O-OG1 3.32Å; K83-T86 WeakPolarHBondContact CA-OG1 3.47Å; K83-T86 PolarHBondContact O-N 2.72Å; K83-T86 PolarHBondContact O-OG1 3.15Å; T86-G89 PolarHBondContact O-N 3.01Å; T86-N90 VanDerWaalsContact O-CG 3.27Å; T86-N90 PolarHBondContact O-N 3.31Å; T86-N90 PolarHBondContact O-ND2 3.29Å
87	E	94	Very high	93.8	Very high	100 Å²	100	98.5 Å²	98.5	47%	0.467	53%	0.528	S	S	.	.	H	α-helix	trans	-64.2	-45	176.6	-179.3	56.7	-152.9	0	0	111.8	K83 G89 N90 Q91	K83-E87 WeakPolarHBondContact O-CB 3.33Å; K83-E87 PolarHBondContact O-N 3.06Å; E87-G89 VanDerWaalsContact C-N 3.29Å; E87-G89 PolarHBondContact O-N 2.97Å; E87-N90 PolarHBondContact O-N 3.5Å; E87-Q91 WeakPolarHBondContact O-CG 3.39Å; E87-Q91 PolarHBondContact O-N 3.27Å; E87-Q91 PolarHBondContact OE1-NE2 2.72Å
88	L	94.7	Very high	93.8	Very high	103 Å²	103	95.5 Å²	95.5	54%	0.539	52%	0.523	S	S	.	.	H	α-helix	trans	-61.9	-37.6	174.2	-73.7	171.8	0	0	0	112.1	T84 V85 Q91 L92	T84-L88 WeakPolarHBondContact O-CB 3.37Å; T84-L88 VanDerWaalsContact O-CG 3.3Å; T84-L88 WeakPolarHBondContact O-CG 3.49Å; T84-L88 PolarHBondContact O-N 3.05Å; V85-L88 PolarHBondContact O-N 3.14Å; L88-Q91 PolarHBondContact O-N 2.86Å; L88-L92 WeakPolarHBondContact O-CB 3.19Å; L88-L92 VanDerWaalsContact O-CG 3.3Å; L88-L92 WeakPolarHBondContact O-CG 3.37Å; L88-L92 PolarHBondContact O-N 3.47Å
89	G	93.9	Very high	93.8	Very high	35 Å²	35	93.7 Å²	93.7	36%	0.361	51%	0.513	S	S	.	.	H	α-helix	trans	-57.9	-50.7	173.4	0	0	0	0	0	111.9	V85 T86 E87 Q91 L92 E93	V85-G89 PolarHBondContact O-N 3.12Å; T86-G89 PolarHBondContact O-N 3.01Å; E87-G89 VanDerWaalsContact C-N 3.29Å; E87-G89 PolarHBondContact O-N 2.97Å; G89-Q91 PolarHBondContact O-N 3.35Å; G89-L92 PolarHBondContact O-N 2.9Å; G89-E93 PolarHBondContact O-N 2.88Å
90	N	93.5	Very high	93.8	Very high	97 Å²	97	93.3 Å²	93.3	52%	0.519	51%	0.513	S	S	.	.	H	α-helix	trans	-61.8	-42.2	178.3	-64.3	-22.1	0	0	0	112.1	T86 E87 L92 E93 G94	T86-N90 VanDerWaalsContact O-CG 3.27Å; T86-N90 PolarHBondContact O-N 3.31Å; T86-N90 PolarHBondContact O-ND2 3.29Å; E87-N90 PolarHBondContact O-N 3.5Å; N90-L92 PolarHBondContact O-N 3.39Å; N90-E93 PolarHBondContact O-N 3.27Å; N90-G94 PolarHBondContact O-N 3.02Å
91	Q	93.3	Very high	93.8	Very high	96 Å²	96	93.7 Å²	93.7	45%	0.449	51%	0.513	S	S	.	.	H	α-helix	trans	-65.5	-38.2	176.8	-71.9	-162.5	9.9	0	0	112.8	E87 L88 G89 K95	E87-Q91 WeakPolarHBondContact O-CG 3.39Å; E87-Q91 PolarHBondContact O-N 3.27Å; E87-Q91 PolarHBondContact OE1-NE2 2.72Å; L88-Q91 PolarHBondContact O-N 2.86Å; G89-Q91 PolarHBondContact O-N 3.35Å; Q91-K95 WeakPolarHBondContact O-CG 3.33Å; Q91-K95 PolarHBondContact O-N 3.24Å; Q91-K95 VanDerWaalsContact O-N 3.12Å
92	L	94.7	Very high	93.8	Very high	94 Å²	94	95.4 Å²	95.4	49%	0.492	52%	0.517	S	S	.	.	H	α-helix	trans	-64.5	-46	174.6	-77.4	167.6	0	0	0	110.3	L88 G89 N90 G94 K95 W96	L88-L92 WeakPolarHBondContact O-CB 3.19Å; L88-L92 VanDerWaalsContact O-CG 3.3Å; L88-L92 WeakPolarHBondContact O-CG 3.37Å; L88-L92 PolarHBondContact O-N 3.47Å; G89-L92 PolarHBondContact O-N 2.9Å; N90-L92 PolarHBondContact O-N 3.39Å; L92-G94 VanDerWaalsContact C-N 3.35Å; L92-G94 PolarHBondContact O-N 2.84Å; L92-K95 PolarHBondContact O-N 3.09Å; L92-K95 VanDerWaalsContact O-N 3.13Å; L92-W96 VanDerWaalsContact C-CD1 3.48Å; L92-W96 PolarHBondContact O-N 3.01Å
93	E	92.9	Very high	93.7	Very high	137 Å²	137	95 Å²	95	64%	0.64	52%	0.518	S	S	*	.	H	α-helix	trans	-58.6	-44.3	178.2	-170	168.5	-166.6	0	0	112.3	G89 N90 K95 W96 A97	G89-E93 PolarHBondContact O-N 2.88Å; N90-E93 PolarHBondContact O-N 3.27Å; E93-K95 PolarHBondContact O-N 3.34Å; E93-W96 PolarHBondContact O-N 3.44Å; E93-A97 PolarHBondContact O-N 3.28Å
94	G	92.7	Very high	93.6	Very high	41 Å²	41	94.3 Å²	94.3	42%	0.423	52%	0.518	S	S	.	.	H	α-helix	trans	-59	-43.2	173.2	0	0	0	0	0	113.1	N90 L92 A97 V98	N90-G94 PolarHBondContact O-N 3.02Å; L92-G94 VanDerWaalsContact C-N 3.35Å; L92-G94 PolarHBondContact O-N 2.84Å; G94-A97 PolarHBondContact O-N 3.02Å; G94-V98 WeakPolarHBondContact O-CG2 3.46Å; G94-V98 PolarHBondContact O-N 3.09Å
95	K	93.4	Very high	93.5	Very high	133 Å²	133	96.1 Å²	96.1	58%	0.578	52%	0.52	S	S	*	.	H	α-helix	trans	-66.8	-39.1	176	-72.3	175	-179.4	176.2	0	112.4	Q91 L92 E93 A97 V98 L99	Q91-K95 WeakPolarHBondContact O-CG 3.33Å; Q91-K95 PolarHBondContact O-N 3.24Å; Q91-K95 VanDerWaalsContact O-N 3.12Å; L92-K95 PolarHBondContact O-N 3.09Å; L92-K95 VanDerWaalsContact O-N 3.13Å; E93-K95 PolarHBondContact O-N 3.34Å; K95-A97 VanDerWaalsContact C-N 3.32Å; K95-V98 PolarHBondContact O-N 2.87Å; K95-L99 PolarHBondContact O-N 3.15Å
96	W	93.6	Very high	93.3	Very high	173 Å²	173	98.8 Å²	98.8	66%	0.655	52%	0.521	S	S	*	.	H	α-helix	trans	-64	-37.5	175.6	-74.4	117.8	0	0	0	111.9	L92 E93 L99 G100	L92-W96 VanDerWaalsContact C-CD1 3.48Å; L92-W96 PolarHBondContact O-N 3.01Å; E93-W96 PolarHBondContact O-N 3.44Å; W96-L99 HydrophobicContact CE3-CD1 4.15Å; W96-L99 HydrophobicContact CZ3-CD1 4.31Å; W96-L99 PolarHBondContact O-N 3Å; W96-G100 PolarHBondContact O-N 3.35Å
97	A	93.6	Very high	93.2	Very high	63 Å²	63	96.4 Å²	96.4	52%	0.521	51%	0.511	S	S	.	.	H	α-helix	trans	-61.7	-45.4	174.5	0	0	0	0	0	112	E93 G94 K95 L99 G100 T101	E93-A97 PolarHBondContact O-N 3.28Å; G94-A97 PolarHBondContact O-N 3.02Å; K95-A97 VanDerWaalsContact C-N 3.32Å; A97-L99 PolarHBondContact O-N 3.04Å; A97-G100 PolarHBondContact O-N 3.15Å; A97-T101 PolarHBondContact O-N 3.24Å; A97-T101 VanDerWaalsContact O-N 3.09Å
98	V	93.4	Very high	93.1	Very high	86 Å²	86	95 Å²	95	52%	0.521	51%	0.507	S	S	.	.	H	α-helix	trans	-64.4	-39.4	176.4	176.8	0	0	0	0	112	G94 K95 G100 T101 L102	G94-V98 WeakPolarHBondContact O-CG2 3.46Å; G94-V98 PolarHBondContact O-N 3.09Å; K95-V98 PolarHBondContact O-N 2.87Å; V98-G100 VanDerWaalsContact C-N 3.31Å; V98-G100 PolarHBondContact O-N 2.9Å; V98-T101 PolarHBondContact O-N 3.25Å; V98-T101 PolarHBondContact O-OG1 3.18Å; V98-L102 HydrophobicContact CG1-CD1 4.18Å; V98-L102 PolarHBondContact O-N 3.13Å; V98-L102 VanDerWaalsContact O-N 3.08Å
99	L	93.8	Very high	92.9	Very high	86 Å²	86	95.4 Å²	95.4	45%	0.45	51%	0.509	S	S	.	.	H	α-helix	trans	-64.6	-37.7	173.8	-76	172.3	0	0	0	112	K95 W96 A97 L102 L103	K95-L99 PolarHBondContact O-N 3.15Å; W96-L99 HydrophobicContact CE3-CD1 4.15Å; W96-L99 HydrophobicContact CZ3-CD1 4.31Å; W96-L99 PolarHBondContact O-N 3Å; A97-L99 PolarHBondContact O-N 3.04Å; L99-L102 PolarHBondContact O-N 2.86Å; L99-L103 WeakPolarHBondContact O-CB 3.48Å; L99-L103 WeakPolarHBondContact O-CD1 3.31Å; L99-L103 WeakPolarHBondContact O-CG 3.48Å; L99-L103 PolarHBondContact O-N 3.3Å
100	G	93.1	Very high	92.8	Very high	37 Å²	37	98.9 Å²	98.9	38%	0.381	52%	0.516	S	S	.	.	H	α-helix	trans	-59.1	-44.3	174.5	0	0	0	0	0	112.7	W96 A97 V98 L103 Q104	W96-G100 PolarHBondContact O-N 3.35Å; A97-G100 PolarHBondContact O-N 3.15Å; V98-G100 VanDerWaalsContact C-N 3.31Å; V98-G100 PolarHBondContact O-N 2.9Å; G100-L103 PolarHBondContact O-N 2.83Å; G100-Q104 PolarHBondContact O-N 3.37Å; G100-Q104 VanDerWaalsContact O-N 3.1Å
101	T	92.9	Very high	92.7	Very high	79 Å²	79	102.4 Å²	102.4	49%	0.485	52%	0.522	S	S	.	.	H	α-helix	trans	-67.8	-41.6	177.3	59.3	0	0	0	0	112.2	A97 V98 L103 Q104 E105	A97-T101 PolarHBondContact O-N 3.24Å; A97-T101 VanDerWaalsContact O-N 3.09Å; V98-T101 PolarHBondContact O-N 3.25Å; V98-T101 PolarHBondContact O-OG1 3.18Å; T101-L103 VanDerWaalsContact C-N 3.34Å; T101-L103 PolarHBondContact O-N 3.33Å; T101-Q104 WeakPolarHBondContact O-CB 3.42Å; T101-Q104 PolarHBondContact O-N 3.4Å; T101-E105 PolarHBondContact O-N 3.07Å
102	L	93.2	Very high	92.5	Very high	105 Å²	105	105.4 Å²	105.4	55%	0.55	53%	0.529	S	S	.	.	H	α-helix	trans	-59.3	-41.8	174.2	-88.7	157.8	0	0	0	112.8	V98 L99 Q104 E105 Y106	V98-L102 HydrophobicContact CG1-CD1 4.18Å; V98-L102 PolarHBondContact O-N 3.13Å; V98-L102 VanDerWaalsContact O-N 3.08Å; L99-L102 PolarHBondContact O-N 2.86Å; L102-Q104 VanDerWaalsContact C-N 3.34Å; L102-E105 PolarHBondContact O-N 3.36Å; L102-Y106 WeakPolarHBondContact O-CB 3.46Å; L102-Y106 PolarHBondContact O-N 3.34Å
103	L	92.7	Very high	92.2	Very high	125 Å²	125	106.4 Å²	106.4	65%	0.654	53%	0.534	S	S	*	.	H	α-helix	trans	-63.7	-39.9	175.8	-80.3	159.1	0	0	0	111.8	L99 G100 T101 Y106 G107	L99-L103 WeakPolarHBondContact O-CB 3.48Å; L99-L103 WeakPolarHBondContact O-CD1 3.31Å; L99-L103 WeakPolarHBondContact O-CG 3.48Å; L99-L103 PolarHBondContact O-N 3.3Å; G100-L103 PolarHBondContact O-N 2.83Å; T101-L103 VanDerWaalsContact C-N 3.34Å; T101-L103 PolarHBondContact O-N 3.33Å; L103-Y106 PolarHBondContact O-N 3.04Å; L103-G107 PolarHBondContact O-N 2.89Å
104	Q	92.4	Very high	92	Very high	143 Å²	143	105 Å²	105	67%	0.668	53%	0.528	S	S	*	.	H	α-helix	trans	-64.9	-44.3	176.1	-176.7	175.9	-11.6	0	0	111.9	G100 T101 L102 G107 L108	G100-Q104 PolarHBondContact O-N 3.37Å; G100-Q104 VanDerWaalsContact O-N 3.1Å; T101-Q104 WeakPolarHBondContact O-CB 3.42Å; T101-Q104 PolarHBondContact O-N 3.4Å; L102-Q104 VanDerWaalsContact C-N 3.34Å; Q104-G107 PolarHBondContact O-N 2.9Å; Q104-L108 PolarHBondContact O-N 2.91Å
105	E	92	Very high	91.5	Very high	113 Å²	113	107.8 Å²	107.8	53%	0.528	53%	0.533	S	S	.	.	H	α-helix	trans	-62.4	-42.9	175.5	-73.4	-56.6	136.7	0	0	111.9	T101 L102 G107 L108 L109	T101-E105 PolarHBondContact O-N 3.07Å; L102-E105 PolarHBondContact O-N 3.36Å; E105-G107 VanDerWaalsContact C-N 3.35Å; E105-G107 PolarHBondContact O-N 2.81Å; E105-L108 WeakPolarHBondContact O-CB 3.41Å; E105-L108 PolarHBondContact O-N 3.02Å; E105-L109 WeakPolarHBondContact O-CB 3.48Å; E105-L109 PolarHBondContact O-N 3.38Å
106	Y	91.4	Very high	90.8	Very high	153 Å²	153	106.3 Å²	106.3	60%	0.6	53%	0.531	S	S	*	.	H	α-helix	trans	-59.5	-45.2	175.1	-176.8	-97.7	0	0	0	111.8	L102 L103 L108 L109 Q110	L102-Y106 WeakPolarHBondContact O-CB 3.46Å; L102-Y106 PolarHBondContact O-N 3.34Å; L103-Y106 PolarHBondContact O-N 3.04Å; Y106-L108 VanDerWaalsContact C-N 3.31Å; Y106-L108 PolarHBondContact O-N 3.35Å; Y106-L109 PolarHBondContact O-N 2.88Å; Y106-Q110 WeakPolarHBondContact O-CB 3.22Å; Y106-Q110 PolarHBondContact O-N 3.43Å
107	G	91.8	Very high	90.2	Very high	25 Å²	25	102.1 Å²	102.1	26%	0.258	52%	0.518	S	S	.	.	H	α-helix	trans	-62	-36	176.2	0	0	0	0	0	113.4	L103 Q104 E105 R111	L103-G107 PolarHBondContact O-N 2.89Å; Q104-G107 PolarHBondContact O-N 2.9Å; E105-G107 VanDerWaalsContact C-N 3.35Å; E105-G107 PolarHBondContact O-N 2.81Å; G107-R111 WeakPolarHBondContact O-CG 3.32Å; G107-R111 PolarHBondContact O-N 3.45Å
108	L	91.8	Very high	89.5	Confident	71 Å²	71	102.6 Å²	102.6	37%	0.372	51%	0.512	S	S	.	.	H	α-helix	trans	-67.6	-43.9	173.7	-178.9	63.2	0	0	0	111.6	Q104 E105 Y106 Q110 R111 R112	Q104-L108 PolarHBondContact O-N 2.91Å; E105-L108 WeakPolarHBondContact O-CB 3.41Å; E105-L108 PolarHBondContact O-N 3.02Å; Y106-L108 VanDerWaalsContact C-N 3.31Å; Y106-L108 PolarHBondContact O-N 3.35Å; L108-Q110 VanDerWaalsContact C-N 3.32Å; L108-Q110 PolarHBondContact O-N 2.93Å; L108-R111 PolarHBondContact O-N 3.06Å; L108-R112 WeakPolarHBondContact O-CG 3.48Å; L108-R112 PolarHBondContact O-N 2.73Å; L108-R112 VanDerWaalsContact O-N 3.08Å
109	L	91.1	Very high	88.6	Confident	112 Å²	112	104.4 Å²	104.4	59%	0.586	52%	0.518	S	S	*	.	H	α-helix	trans	-63.5	-40	179	-150	73.7	0	0	0	111.4	E105 Y106 R112 L113	E105-L109 WeakPolarHBondContact O-CB 3.48Å; E105-L109 PolarHBondContact O-N 3.38Å; Y106-L109 PolarHBondContact O-N 2.88Å; L109-R112 WeakPolarHBondContact O-CB 3.33Å; L109-R112 PolarHBondContact O-N 3.48Å; L109-L113 PolarHBondContact O-N 3.41Å
110	Q	91.4	Very high	87.3	Confident	107 Å²	107	105.5 Å²	105.5	50%	0.5	52%	0.524	S	S	.	.	H	α-helix	trans	-63.7	-42.6	176.7	-169.7	169.7	-7.1	0	0	112.1	Y106 L108 R112 L113 E114	Y106-Q110 WeakPolarHBondContact O-CB 3.22Å; Y106-Q110 PolarHBondContact O-N 3.43Å; L108-Q110 VanDerWaalsContact C-N 3.32Å; L108-Q110 PolarHBondContact O-N 2.93Å; Q110-R112 VanDerWaalsContact C-N 3.32Å; Q110-R112 PolarHBondContact O-N 3.29Å; Q110-L113 WeakPolarHBondContact O-CB 3.32Å; Q110-L113 PolarHBondContact O-N 3.07Å; Q110-E114 WeakPolarHBondContact O-CB 3.37Å; Q110-E114 PolarHBondContact O-N 3.14Å
111	R	90.8	Very high	86.2	Confident	172 Å²	172	111.7 Å²	111.7	65%	0.649	54%	0.536	S	S	*	.	H	α-helix	trans	-61.6	-38.5	172.9	-75.9	170.8	173.4	150.2	-2.1	112.6	G107 L108 E114 N115	G107-R111 WeakPolarHBondContact O-CG 3.32Å; G107-R111 PolarHBondContact O-N 3.45Å; L108-R111 PolarHBondContact O-N 3.06Å; R111-E114 PolarHBondContact O-N 3.29Å; R111-N115 WeakPolarHBondContact O-CB 3.15Å; R111-N115 PolarHBondContact O-N 3.04Å; R111-N115 PolarHBondContact O-ND2 2.99Å
112	R	90.7	Very high	84.8	Confident	158 Å²	158	113 Å²	113	60%	0.596	54%	0.54	S	S	*	.	H	α-helix	trans	-65.1	-41.3	175.1	-71	178.3	-179.6	-173.2	2.1	111.6	L108 L109 Q110 N115 L116	L108-R112 WeakPolarHBondContact O-CG 3.48Å; L108-R112 PolarHBondContact O-N 2.73Å; L108-R112 VanDerWaalsContact O-N 3.08Å; L109-R112 WeakPolarHBondContact O-CB 3.33Å; L109-R112 PolarHBondContact O-N 3.48Å; Q110-R112 VanDerWaalsContact C-N 3.32Å; Q110-R112 PolarHBondContact O-N 3.29Å; R112-N115 PolarHBondContact O-N 3.13Å; R112-L116 WeakPolarHBondContact O-CB 3.4Å; R112-L116 PolarHBondContact O-N 3.3Å
113	L	88.3	Confident	83	Confident	115 Å²	115	115.2 Å²	115.2	60%	0.602	54%	0.541	S	S	*	.	H	α-helix	trans	-63.1	-46.1	176.4	-166.2	87.3	0	0	0	111.2	L109 Q110 N115 L116 E117	L109-L113 PolarHBondContact O-N 3.41Å; Q110-L113 WeakPolarHBondContact O-CB 3.32Å; Q110-L113 PolarHBondContact O-N 3.07Å; L113-N115 PolarHBondContact O-N 3.36Å; L113-L116 WeakPolarHBondContact O-CB 3.38Å; L113-L116 PolarHBondContact O-N 2.93Å; L113-E117 WeakPolarHBondContact O-CB 3.32Å; L113-E117 PolarHBondContact O-N 3.41Å
114	E	87.4	Confident	81.1	Confident	109 Å²	109	116 Å²	116	51%	0.509	55%	0.546	S	S	.	.	H	α-helix	trans	-62.9	-41.7	177	-174.7	176	-167.4	0	0	111.6	Q110 R111 L116 E117 N118	Q110-E114 WeakPolarHBondContact O-CB 3.37Å; Q110-E114 PolarHBondContact O-N 3.14Å; R111-E114 PolarHBondContact O-N 3.29Å; E114-L116 VanDerWaalsContact C-N 3.33Å; E114-L116 PolarHBondContact O-N 3.13Å; E114-E117 PolarHBondContact O-N 3.47Å; E114-N118 WeakPolarHBondContact O-CB 3.46Å; E114-N118 VanDerWaalsContact O-CG 3.26Å; E114-N118 PolarHBondContact O-N 2.8Å; E114-N118 PolarHBondContact O-ND2 3.11Å; E114-N118 VanDerWaalsContact O-ND2 3.16Å
115	N	83.2	Confident	78.9	Confident	99 Å²	99	117.5 Å²	117.5	53%	0.529	55%	0.551	S	S	.	*	H	α-helix	trans	-60.1	-42.9	172.7	-73.8	-14.1	0	0	0	112	R111 R112 L113 N118 L119	R111-N115 WeakPolarHBondContact O-CB 3.15Å; R111-N115 PolarHBondContact O-N 3.04Å; R111-N115 PolarHBondContact O-ND2 2.99Å; R112-N115 PolarHBondContact O-N 3.13Å; L113-N115 PolarHBondContact O-N 3.36Å; N115-N118 PolarHBondContact O-N 2.77Å; N115-L119 VanDerWaalsContact O-CG 3.29Å; N115-L119 WeakPolarHBondContact O-CG 3.34Å; N115-L119 PolarHBondContact O-N 3.4Å
116	L	78.7	Confident	76.4	Confident	101 Å²	101	122.9 Å²	122.9	53%	0.529	57%	0.566	S	S	.	*	H	α-helix	trans	-63.9	-44	175.9	-166.4	87.9	0	0	0	111.2	R112 L113 E114 N118 L119 L120	R112-L116 WeakPolarHBondContact O-CB 3.4Å; R112-L116 PolarHBondContact O-N 3.3Å; L113-L116 WeakPolarHBondContact O-CB 3.38Å; L113-L116 PolarHBondContact O-N 2.93Å; E114-L116 VanDerWaalsContact C-N 3.33Å; E114-L116 PolarHBondContact O-N 3.13Å; L116-N118 VanDerWaalsContact C-N 3.35Å; L116-N118 PolarHBondContact O-N 2.82Å; L116-L119 PolarHBondContact O-N 2.81Å; L116-L120 HydrophobicContact CD2-CD1 4.41Å; L116-L120 HydrophobicContact CG-CD1 4.38Å; L116-L120 WeakPolarHBondContact O-CB 3.42Å; L116-L120 WeakPolarHBondContact O-CG 3.32Å; L116-L120 PolarHBondContact O-N 3.36Å
117	E	81.3	Confident	74.4	Confident	85 Å²	85	119.8 Å²	119.8	40%	0.397	56%	0.559	S	S	.	*	H	α-helix	trans	-62.3	-42.3	177	-167.9	-174.7	158.7	0	0	111.2	L113 E114 L119 L120 R121	L113-E117 WeakPolarHBondContact O-CB 3.32Å; L113-E117 PolarHBondContact O-N 3.41Å; E114-E117 PolarHBondContact O-N 3.47Å; E117-L119 PolarHBondContact O-N 2.92Å; E117-L120 CarbonylContact O-C 3.59Å; E117-L120 PolarHBondContact O-N 2.99Å; E117-R121 WeakPolarHBondContact O-CB 3.48Å; E117-R121 WeakPolarHBondContact O-CG 3.42Å; E117-R121 PolarHBondContact O-N 3.08Å; E117-R121 IonicContact OE1-CZ 3.83Å; E117-R121 VanDerWaalsContact OE1-CZ 3.3Å; E117-R121 IonicContact OE1-NE 3.88Å; E117-R121 PolarHBondContact OE1-NE 3.04Å; E117-R121 IonicContact OE1-NH2 3Å; E117-R121 PolarHBondContact OE1-NH2 3.28Å
118	N	77.6	Confident	71.8	Confident	73 Å²	73	125 Å²	125	39%	0.39	58%	0.581	S	S	.	*	H	α-helix	trans	-63.5	-40.6	175.6	-74.7	-34	0	0	0	112.2	E114 N115 L116 L120 R121 N122	E114-N118 WeakPolarHBondContact O-CB 3.46Å; E114-N118 VanDerWaalsContact O-CG 3.26Å; E114-N118 PolarHBondContact O-N 2.8Å; E114-N118 PolarHBondContact O-ND2 3.11Å; E114-N118 VanDerWaalsContact O-ND2 3.16Å; N115-N118 PolarHBondContact O-N 2.77Å; L116-N118 VanDerWaalsContact C-N 3.35Å; L116-N118 PolarHBondContact O-N 2.82Å; N118-L120 VanDerWaalsContact C-N 3.35Å; N118-R121 PolarHBondContact O-N 2.97Å; N118-N122 WeakPolarHBondContact O-CB 3.35Å; N118-N122 PolarHBondContact O-N 2.77Å
119	L	74.7	Confident	69.1	Low	124 Å²	124	133.1 Å²	133.1	65%	0.649	61%	0.606	S	S	*	*	H	α-helix	trans	-62.7	-41.9	173	-72.3	169.6	0	0	0	111.6	N115 L116 E117 N122 R123	N115-L119 VanDerWaalsContact O-CG 3.29Å; N115-L119 WeakPolarHBondContact O-CG 3.34Å; N115-L119 PolarHBondContact O-N 3.4Å; L116-L119 PolarHBondContact O-N 2.81Å; E117-L119 PolarHBondContact O-N 2.92Å; L119-N122 CarbonylContact O-C 3.57Å; L119-N122 PolarHBondContact O-N 3.21Å; L119-R123 PolarHBondContact O-N 3.4Å
120	L	67.9	Low	66.9	Low	110 Å²	110	132 Å²	132	58%	0.576	60%	0.601	S	S	*	*	H	α-helix	trans	-69.8	-34.9	176.9	-72.2	172	0	0	0	112.9	L116 E117 N118 N122 R123	L116-L120 HydrophobicContact CD2-CD1 4.41Å; L116-L120 HydrophobicContact CG-CD1 4.38Å; L116-L120 WeakPolarHBondContact O-CB 3.42Å; L116-L120 WeakPolarHBondContact O-CG 3.32Å; L116-L120 PolarHBondContact O-N 3.36Å; E117-L120 CarbonylContact O-C 3.59Å; E117-L120 PolarHBondContact O-N 2.99Å; N118-L120 VanDerWaalsContact C-N 3.35Å; L120-N122 VanDerWaalsContact C-N 3.34Å; L120-R123 WeakPolarHBondContact O-CB 3.41Å; L120-R123 PolarHBondContact O-N 3.11Å
121	R	68.8	Low	64.4	Low	166 Å²	166	131.7 Å²	131.7	63%	0.626	61%	0.608	S	S	*	*	H	α-helix	trans	-67.5	-37.3	172.6	-75.9	176.7	-179.7	-92	0.4	111.2	E117 N118 R123	E117-R121 WeakPolarHBondContact O-CB 3.48Å; E117-R121 WeakPolarHBondContact O-CG 3.42Å; E117-R121 PolarHBondContact O-N 3.08Å; E117-R121 IonicContact OE1-CZ 3.83Å; E117-R121 VanDerWaalsContact OE1-CZ 3.3Å; E117-R121 IonicContact OE1-NE 3.88Å; E117-R121 PolarHBondContact OE1-NE 3.04Å; E117-R121 IonicContact OE1-NH2 3Å; E117-R121 PolarHBondContact OE1-NH2 3.28Å; N118-R121 PolarHBondContact O-N 2.97Å; R121-R123 PolarHBondContact O-N 3.3Å
122	N	64.3	Low	62.2	Low	107 Å²	107	128.4 Å²	128.4	57%	0.572	61%	0.608	S	S	*	*	G	3₁₀ helix	trans	-77.6	3.3	174.4	-72.6	-18.1	0	0	0	113.8	N118 L119 L120 N124 F125	N118-N122 WeakPolarHBondContact O-CB 3.35Å; N118-N122 PolarHBondContact O-N 2.77Å; L119-N122 CarbonylContact O-C 3.57Å; L119-N122 PolarHBondContact O-N 3.21Å; L120-N122 VanDerWaalsContact C-N 3.34Å; N122-N124 PolarHBondContact O-N 3.08Å; N122-N124 VanDerWaalsContact O-N 3.12Å; N122-F125 WeakPolarHBondContact O-CB 3.29Å; N122-F125 PolarHBondContact O-N 3.33Å
123	R	54.8	Low	60.1	Low	151 Å²	151	122.5 Å²	122.5	57%	0.57	60%	0.597	S	S	*	*	G	3₁₀ helix	trans	-49.9	-32.4	171.1	166.5	179.2	139.5	144	2.9	113.4	L119 L120 R121 F125 W126 I127	L119-R123 PolarHBondContact O-N 3.4Å; L120-R123 WeakPolarHBondContact O-CB 3.41Å; L120-R123 PolarHBondContact O-N 3.11Å; R121-R123 PolarHBondContact O-N 3.3Å; R123-F125 PolarHBondContact O-N 3.45Å; R123-W126 PolarHBondContact O-N 3.35Å; R123-I127 HydrophobicContact CG-CD1 3.29Å; R123-I127 HydrophobicContact CG-CG1 3.7Å; R123-I127 PolarHBondContact O-N 2.99Å
124	N	52	Low	58.6	Low	142 Å²	142	125.9 Å²	125.9	76%	0.759	61%	0.614	S	S	*	*	G	3₁₀ helix	trans	-59.5	-16.7	174.6	-72.2	-12.2	0	0	0	113.2	N122	N122-N124 PolarHBondContact O-N 3.08Å; N122-N124 VanDerWaalsContact O-N 3.12Å
125	F	47.4	Very low	57	Low	175 Å²	175	129.3 Å²	129.3	77%	0.768	63%	0.627	S	S	*	*	G	3₁₀ helix	trans	-83.1	-24.3	175.6	-139.6	-88.8	0	0	0	113.5	N122 R123	N122-F125 WeakPolarHBondContact O-CB 3.29Å; N122-F125 PolarHBondContact O-N 3.33Å; R123-F125 PolarHBondContact O-N 3.45Å
126	W	40.1	Very low	55.4	Low	225 Å²	225	127.5 Å²	127.5	85%	0.852	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.8	-18.3	-177.3	-70	100	0	0	0	114.2	R123 L128	R123-W126 PolarHBondContact O-N 3.35Å; W126-L128 PolarHBondContact O-N 3.42Å
127	I	47.7	Very low	53.6	Low	89 Å²	89	128.5 Å²	128.5	46%	0.456	64%	0.638	S	S	.	*	S	Bend	trans	-76.5	85	170	-59	-175.6	0	0	0	108.6	R123	R123-I127 HydrophobicContact CG-CD1 3.29Å; R123-I127 HydrophobicContact CG-CG1 3.7Å; R123-I127 PolarHBondContact O-N 2.99Å
128	L	36.9	Very low	51.9	Low	134 Å²	134	131.5 Å²	131.5	70%	0.702	66%	0.655	S	S	*	*			trans	51.4	85.3	151.9	-62.6	162.1	0	0	0	115	W126 L130	W126-L128 PolarHBondContact O-N 3.42Å; L128-L130 PolarHBondContact O-N 3.17Å
129	R	36	Very low	50.3	Low	242 Å²	242	130.8 Å²	130.8	91%	0.913	65%	0.654	S	S	*	*			trans	-59.4	84.8	143.1	-88	-175.1	171.4	-172.2	-1.7	107.9
130	L	44.1	Very low	49.1	Very low	89 Å²	89	133.5 Å²	133.5	47%	0.466	66%	0.661	S	S	.	*	P	Polyproline II helix	trans	-64.4	125.2	156.6	-80.6	158.4	0	0	0	106.2	L128 V141	L128-L130 PolarHBondContact O-N 3.17Å; L130-V141 HydrophobicContact CD1-CG2 3.42Å; L130-V141 VanDerWaalsContact CD1-CG2 3.42Å
131	P	39.3	Very low	48.4	Very low	100 Å²	100	132.2 Å²	132.2	65%	0.649	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-52.5	140	175.8	-23.3	31.9	0	0	0	109.9	G133	P131-G133 PolarHBondContact O-N 2.94Å
132	P	44.5	Very low	48	Very low	102 Å²	102	129 Å²	129	66%	0.662	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-53.3	130.1	175.8	-20.4	29.8	0	0	0	109.3
133	G	47.2	Very low	47.8	Very low	35 Å²	35	126.3 Å²	126.3	36%	0.361	65%	0.645	S	S	.	*	P	Polyproline II helix	trans	-58.5	157.2	173.8	0	0	0	0	0	110.4	P131 K135 G136	P131-G133 PolarHBondContact O-N 2.94Å; G133-K135 PolarHBondContact O-N 2.8Å; G133-G136 PolarHBondContact O-N 2.86Å
134	I	56.4	Low	48.4	Very low	185 Å²	185	121.2 Å²	121.2	95%	0.949	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-47.9	-6.1	179.1	33.8	168	0	0	0	116.5
135	K	55	Low	49.4	Very low	181 Å²	181	114.9 Å²	114.9	79%	0.787	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.1	10.2	176.9	-64.3	-172.7	177.7	-178.6	0	114.7	G133 D137	G133-K135 PolarHBondContact O-N 2.8Å; K135-D137 PolarHBondContact O-N 2.99Å
136	G	48.5	Very low	50.6	Low	61 Å²	61	111.8 Å²	111.8	63%	0.629	59%	0.593	S	S	*	*	S	Bend	trans	75.9	-2.9	176	0	0	0	0	0	115.1	G133	G133-G136 PolarHBondContact O-N 2.86Å
137	D	40.8	Very low	52.1	Low	123 Å²	123	106.6 Å²	106.6	66%	0.658	58%	0.582	S	S	*	*			trans	-76.4	125.9	170.1	-67.5	-41.9	0	0	0	109.7	K135 P139	K135-D137 PolarHBondContact O-N 2.99Å; D137-P139 VanDerWaalsContact O-CD 3.32Å; D137-P139 WeakPolarHBondContact O-CD 3.5Å
138	I	45.8	Very low	53.4	Low	147 Å²	147	105 Å²	105	75%	0.754	58%	0.576	S	S	*	*			trans	-56	120.7	165.5	-58.9	162.9	0	0	0	105.8	K140	I138-K140 VanDerWaalsContact C-N 3.33Å; I138-K140 PolarHBondContact O-N 2.99Å
139	P	43.5	Very low	55.2	Low	59 Å²	59	99.3 Å²	99.3	38%	0.383	55%	0.547	S	S	.	.			trans	-60.6	102.8	171.1	-16	28.7	0	0	0	107.1	D137 V141	D137-P139 VanDerWaalsContact O-CD 3.32Å; D137-P139 WeakPolarHBondContact O-CD 3.5Å; P139-V141 PolarHBondContact O-N 3.21Å
140	K	50.3	Low	57.3	Low	180 Å²	180	93.3 Å²	93.3	78%	0.783	53%	0.532	S	S	*	.			trans	-66.1	89.2	161.9	-68.8	-175.9	-179.3	-174.3	0	104.7	I138 P142	I138-K140 VanDerWaalsContact C-N 3.33Å; I138-K140 PolarHBondContact O-N 2.99Å; K140-P142 WeakPolarHBondContact O-CD 3.4Å; K140-P142 VanDerWaalsContact O-N 3.11Å
141	V	54	Low	59	Low	83 Å²	83	94.6 Å²	94.6	50%	0.503	53%	0.532	S	S	.	.			trans	-64.1	109.7	165.8	-178.9	0	0	0	0	104.5	L130 P139 V143	L130-V141 HydrophobicContact CD1-CG2 3.42Å; L130-V141 VanDerWaalsContact CD1-CG2 3.42Å; P139-V141 PolarHBondContact O-N 3.21Å; V141-V143 PolarHBondContact O-N 2.88Å
142	P	59.4	Low	61	Low	98 Å²	98	93.8 Å²	93.8	64%	0.636	52%	0.518	S	S	*	.			trans	-64.9	114.2	178.2	-9.8	26.3	0	0	0	106.3	K140 A144	K140-P142 WeakPolarHBondContact O-CD 3.4Å; K140-P142 VanDerWaalsContact O-N 3.11Å; P142-A144 PolarHBondContact O-N 3.03Å
143	V	60.1	Low	62.8	Low	51 Å²	51	91.4 Å²	91.4	31%	0.309	50%	0.504	S	S	.	.			trans	-81.7	111.8	171.4	-179.6	0	0	0	0	106	V141 D147 V148 L179	V141-V143 PolarHBondContact O-N 2.88Å; V143-D147 HydrophobicContact CG1-CB 4.11Å; V143-V148 HydrophobicContact CG1-CG2 3.68Å; V143-L179 HydrophobicContact CB-CD2 4.27Å; V143-L179 HydrophobicContact CG1-CD2 4.06Å
144	A	67.6	Low	64.5	Low	45 Å²	45	95.1 Å²	95.1	37%	0.372	52%	0.52	S	S	.	.			trans	-77.5	157.9	174.7	0	0	0	0	0	109.6	P142 D146 D147	P142-A144 PolarHBondContact O-N 3.03Å; A144-D146 PolarHBondContact O-N 2.74Å; A144-D147 PolarHBondContact N-OD2 2.99Å; A144-D147 WeakPolarHBondContact O-CB 3.49Å; A144-D147 PolarHBondContact O-N 3.05Å; A144-D147 VanDerWaalsContact O-N 3.08Å
145	F	72.8	Confident	65.7	Low	8 Å²	8	89.5 Å²	89.5	4%	0.035	50%	0.496	C	S	.	.	H	α-helix	trans	-59.1	-34.5	173.5	-179.3	-93.3	0	0	0	111.5	D147 V148 S149 M172 N175 Y176 L179 I186 P189	F145-D147 PolarHBondContact O-N 3.22Å; F145-V148 CarbonylContact O-C 3.56Å; F145-V148 PolarHBondContact O-N 2.95Å; F145-S149 VanDerWaalsContact O-CB 3.28Å; F145-S149 WeakPolarHBondContact O-CB 3.41Å; F145-S149 PolarHBondContact O-N 3.3Å; F145-S149 PolarHBondContact O-OG 2.91Å; F145-M172 HydrophobicContact CE1-CE 3.56Å; F145-M172 HydrophobicContact CZ-CE 3.46Å; F145-M172 VanDerWaalsContact CZ-CE 3.46Å; F145-M172 HydrophobicContact CZ-SD 4.36Å; F145-N175 HydrophobicContact CE2-CB 4.36Å; F145-Y176 HydrophobicContact CD2-CD2 4.3Å; F145-Y176 HydrophobicContact CE2-CD2 4.46Å; F145-L179 HydrophobicContact CB-CD1 4.03Å; F145-L179 HydrophobicContact CD2-CD1 3.84Å; F145-L179 HydrophobicContact CG-CD1 4.4Å; F145-I186 HydrophobicContact CB-CD1 4.28Å; F145-I186 HydrophobicContact CB-CG2 3.85Å; F145-P189 HydrophobicContact CD1-CB 4.05Å; F145-P189 HydrophobicContact CD1-CG 3.31Å; F145-P189 HydrophobicContact CD2-CG 4.13Å; F145-P189 HydrophobicContact CE1-CB 3.76Å; F145-P189 HydrophobicContact CE1-CG 3.27Å; F145-P189 HydrophobicContact CE2-CG 4.12Å; F145-P189 HydrophobicContact CG-CG 3.76Å; F145-P189 HydrophobicContact CZ-CB 4.41Å; F145-P189 HydrophobicContact CZ-CG 3.7Å
146	D	73	Confident	67	Low	110 Å²	110	85.4 Å²	85.4	59%	0.588	48%	0.479	S	S	*	.	H	α-helix	trans	-59	-28.5	176.8	-72.3	-23.9	0	0	0	113.4	A144 V148 S149 Y151	A144-D146 PolarHBondContact O-N 2.74Å; D146-V148 VanDerWaalsContact C-N 3.29Å; D146-V148 PolarHBondContact O-N 2.89Å; D146-S149 VanDerWaalsContact CA-OG 3.23Å; D146-S149 WeakPolarHBondContact CA-OG 3.48Å; D146-S149 PolarHBondContact O-OG 2.63Å; D146-S149 VanDerWaalsContact O-OG 3.05Å; D146-Y151 PolarHBondContact OD1-OH 3.24Å
147	D	71.8	Confident	68.8	Low	116 Å²	116	86.2 Å²	86.2	62%	0.62	46%	0.463	S	S	*	.	H	α-helix	trans	-72.5	-22.3	177.2	-60.1	-41.7	0	0	0	113	V143 A144 F145	V143-D147 HydrophobicContact CG1-CB 4.11Å; A144-D147 PolarHBondContact N-OD2 2.99Å; A144-D147 WeakPolarHBondContact O-CB 3.49Å; A144-D147 PolarHBondContact O-N 3.05Å; A144-D147 VanDerWaalsContact O-N 3.08Å; F145-D147 PolarHBondContact O-N 3.22Å
148	V	73.5	Confident	70.8	Confident	55 Å²	55	87.8 Å²	87.8	33%	0.333	47%	0.467	S	S	.	.	H	α-helix	trans	-110.6	-16.7	-177.4	-166.6	0	0	0	0	111.6	V143 F145 D146 N175 L179	V143-V148 HydrophobicContact CG1-CG2 3.68Å; F145-V148 CarbonylContact O-C 3.56Å; F145-V148 PolarHBondContact O-N 2.95Å; D146-V148 VanDerWaalsContact C-N 3.29Å; D146-V148 PolarHBondContact O-N 2.89Å; V148-N175 HydrophobicContact CG1-CB 3.98Å; V148-N175 PolarHBondContact O-ND2 3.46Å; V148-L179 HydrophobicContact CG2-CD1 4.33Å
149	S	75.9	Confident	72.9	Confident	15 Å²	15	88.9 Å²	88.9	11%	0.105	47%	0.466	C	S	.	.			trans	-74.8	144.1	176.9	71.4	0	0	0	0	111.5	F145 D146 Y151	F145-S149 VanDerWaalsContact O-CB 3.28Å; F145-S149 WeakPolarHBondContact O-CB 3.41Å; F145-S149 PolarHBondContact O-N 3.3Å; F145-S149 PolarHBondContact O-OG 2.91Å; D146-S149 VanDerWaalsContact CA-OG 3.23Å; D146-S149 WeakPolarHBondContact CA-OG 3.48Å; D146-S149 PolarHBondContact O-OG 2.63Å; D146-S149 VanDerWaalsContact O-OG 3.05Å; S149-Y151 WeakPolarHBondContact OG-CE2 3.47Å; S149-Y151 PolarHBondContact OG-OH 3.17Å
150	I	80.5	Confident	74.8	Confident	116 Å²	116	87.5 Å²	87.5	60%	0.595	46%	0.455	S	S	*	.			trans	-120.9	127.1	168.9	-60.9	173.1	0	0	0	105.2	Y168	I150-Y168 WeakPolarHBondContact O-CE2 3.34Å; I150-Y168 VanDerWaalsContact O-CZ 3.25Å; I150-Y168 PolarHBondContact O-OH 3.25Å
151	Y	79.5	Confident	76.5	Confident	117 Å²	117	84.7 Å²	84.7	46%	0.459	45%	0.445	S	S	.	.			trans	-108	133.5	178.5	-60.4	-74.9	0	0	0	109.4	D146 S149 M172 V191	D146-Y151 PolarHBondContact OD1-OH 3.24Å; S149-Y151 WeakPolarHBondContact OG-CE2 3.47Å; S149-Y151 PolarHBondContact OG-OH 3.17Å; Y151-M172 HydrophobicContact CE1-CE 4.43Å; Y151-V191 HydrophobicContact CD1-CG2 4.18Å; Y151-V191 HydrophobicContact CE1-CG2 3.91Å
152	F	81.8	Confident	77.9	Confident	82 Å²	82	86.5 Å²	86.5	36%	0.36	45%	0.448	S	S	.	.			trans	-89.3	140.9	169.1	-69.5	-74.1	0	0	0	109.3	E156 W157 L160 Y168	F152-E156 HydrophobicContact CB-CB 4.24Å; F152-E156 HydrophobicContact CD1-CB 4.13Å; F152-W157 HydrophobicContact CB-CB 4.43Å; F152-W157 HydrophobicContact CB-CE3 4.14Å; F152-W157 AromaticContact CD2-CE3 3.87Å; F152-W157 HydrophobicContact CD2-CE3 3.87Å; F152-W157 AromaticContact CD2-CZ3 4Å; F152-W157 HydrophobicContact CD2-CZ3 4Å; F152-W157 HydrophobicContact CG-CE3 4.32Å; F152-L160 HydrophobicContact CD1-CD1 3.97Å; F152-L160 HydrophobicContact CD2-CD1 3.82Å; F152-L160 HydrophobicContact CE1-CD1 4.06Å; F152-L160 HydrophobicContact CE2-CD1 3.89Å; F152-L160 HydrophobicContact CG-CD1 3.85Å; F152-L160 HydrophobicContact CZ-CD1 4.03Å; F152-Y168 AromaticContact CD2-CD2 3.86Å; F152-Y168 HydrophobicContact CD2-CD2 3.86Å; F152-Y168 AromaticContact CD2-CE2 3.75Å; F152-Y168 HydrophobicContact CD2-CE2 3.75Å; F152-Y168 HydrophobicContact CD2-CG 4.36Å; F152-Y168 AromaticContact CE2-CD2 3.4Å; F152-Y168 HydrophobicContact CE2-CD2 3.4Å; F152-Y168 VanDerWaalsContact CE2-CD2 3.4Å; F152-Y168 AromaticContact CE2-CE2 3.67Å; F152-Y168 HydrophobicContact CE2-CE2 3.67Å; F152-Y168 HydrophobicContact CE2-CG 4.05Å
153	S	82.4	Confident	79.1	Confident	52 Å²	52	89 Å²	89	36%	0.364	45%	0.445	S	S	.	.			trans	-66.7	154.8	166.7	63.5	0	0	0	0	110.3	P155 E156 W157	S153-P155 VanDerWaalsContact C-CD 3.46Å; S153-P155 VanDerWaalsContact C-N 3.34Å; S153-E156 WeakPolarHBondContact CB-OE2 3.38Å; S153-E156 PolarHBondContact N-OE2 2.86Å; S153-E156 WeakPolarHBondContact O-CB 3.47Å; S153-E156 PolarHBondContact O-N 3.23Å; S153-E156 VanDerWaalsContact OG-CG 3.22Å; S153-E156 WeakPolarHBondContact OG-CG 3.43Å; S153-E156 PolarHBondContact OG-OE2 3.05Å; S153-W157 PolarHBondContact O-N 2.84Å
154	T	81.1	Confident	80.3	Confident	114 Å²	114	89.5 Å²	89.5	70%	0.699	44%	0.444	S	S	*	.	H	α-helix	trans	-50.6	-42.7	178.3	49.9	0	0	0	0	114.3	E156 W157 E158	T154-E156 VanDerWaalsContact C-N 3.35Å; T154-E156 PolarHBondContact O-N 2.94Å; T154-W157 PolarHBondContact O-N 3.36Å; T154-E158 PolarHBondContact O-N 3.26Å; T154-E158 VanDerWaalsContact O-N 3.17Å
155	P	83.5	Confident	81.1	Confident	67 Å²	67	89.1 Å²	89.1	44%	0.435	43%	0.433	S	S	.	.	H	α-helix	trans	-73.3	-21.5	176.1	29.4	-37.7	0	0	0	114.3	S153 K159	S153-P155 VanDerWaalsContact C-CD 3.46Å; S153-P155 VanDerWaalsContact C-N 3.34Å; P155-K159 WeakPolarHBondContact O-CD 3.5Å; P155-K159 VanDerWaalsContact O-CG 3.3Å; P155-K159 WeakPolarHBondContact O-CG 3.49Å
156	E	81.5	Confident	81.7	Confident	95 Å²	95	92.9 Å²	92.9	44%	0.444	45%	0.451	S	S	.	.	H	α-helix	trans	-78.1	-36.9	172.4	-71.6	166.1	157.8	0	0	110.7	F152 S153 T154 K159 L160	F152-E156 HydrophobicContact CB-CB 4.24Å; F152-E156 HydrophobicContact CD1-CB 4.13Å; S153-E156 WeakPolarHBondContact CB-OE2 3.38Å; S153-E156 PolarHBondContact N-OE2 2.86Å; S153-E156 WeakPolarHBondContact O-CB 3.47Å; S153-E156 PolarHBondContact O-N 3.23Å; S153-E156 VanDerWaalsContact OG-CG 3.22Å; S153-E156 WeakPolarHBondContact OG-CG 3.43Å; S153-E156 PolarHBondContact OG-OE2 3.05Å; T154-E156 VanDerWaalsContact C-N 3.35Å; T154-E156 PolarHBondContact O-N 2.94Å; E156-K159 PolarHBondContact O-N 3.13Å; E156-L160 PolarHBondContact O-N 3.35Å
157	W	85.4	Confident	82.1	Confident	78 Å²	78	91.8 Å²	91.8	30%	0.295	45%	0.445	S	S	.	.	H	α-helix	trans	-62.3	-42	176	-170.1	-104.7	0	0	0	113	F152 S153 T154 K159 L160 K165 Y168	F152-W157 HydrophobicContact CB-CB 4.43Å; F152-W157 HydrophobicContact CB-CE3 4.14Å; F152-W157 AromaticContact CD2-CE3 3.87Å; F152-W157 HydrophobicContact CD2-CE3 3.87Å; F152-W157 AromaticContact CD2-CZ3 4Å; F152-W157 HydrophobicContact CD2-CZ3 4Å; F152-W157 HydrophobicContact CG-CE3 4.32Å; S153-W157 PolarHBondContact O-N 2.84Å; T154-W157 PolarHBondContact O-N 3.36Å; W157-K159 PolarHBondContact O-N 3.27Å; W157-L160 HydrophobicContact CE3-CD1 3.83Å; W157-L160 HydrophobicContact CZ3-CD1 4.32Å; W157-L160 PolarHBondContact O-N 3.07Å; W157-K165 HydrophobicContact CD2-CG 4.38Å; W157-K165 HydrophobicContact CH2-CB 3.81Å; W157-K165 HydrophobicContact CH2-CG 3.85Å; W157-K165 HydrophobicContact CZ2-CB 3.81Å; W157-K165 HydrophobicContact CZ2-CD 3.97Å; W157-K165 HydrophobicContact CZ2-CG 3.66Å; W157-K165 HydrophobicContact CZ3-CG 4.29Å; W157-K165 WeakPolarHBondContact O-CE 3.33Å; W157-Y168 AromaticContact CH2-CD1 3.43Å; W157-Y168 HydrophobicContact CH2-CD1 3.43Å; W157-Y168 VanDerWaalsContact CH2-CD1 3.43Å; W157-Y168 HydrophobicContact CH2-CE1 4.01Å; W157-Y168 HydrophobicContact CH2-CG 4.15Å; W157-Y168 AromaticContact CZ3-CD1 3.3Å; W157-Y168 HydrophobicContact CZ3-CD1 3.3Å; W157-Y168 AromaticContact CZ3-CE1 3.71Å; W157-Y168 HydrophobicContact CZ3-CE1 3.71Å; W157-Y168 AromaticContact CZ3-CG 3.75Å; W157-Y168 HydrophobicContact CZ3-CG 3.75Å
158	E	84.5	Confident	82.7	Confident	156 Å²	156	87.3 Å²	87.3	73%	0.729	42%	0.419	S	S	*	.	H	α-helix	trans	-64.9	-27.2	175.9	-73.6	178.5	178	0	0	113.3	T154 L160	T154-E158 PolarHBondContact O-N 3.26Å; T154-E158 VanDerWaalsContact O-N 3.17Å; E158-L160 VanDerWaalsContact C-N 3.35Å
159	K	88.4	Confident	83.2	Confident	169 Å²	169	87.4 Å²	87.4	74%	0.735	42%	0.415	S	S	*	.	H	α-helix	trans	-80.4	-14	178.5	-69.8	172	-172.7	175.3	0	113.8	P155 E156 W157	P155-K159 WeakPolarHBondContact O-CD 3.5Å; P155-K159 VanDerWaalsContact O-CG 3.3Å; P155-K159 WeakPolarHBondContact O-CG 3.49Å; E156-K159 PolarHBondContact O-N 3.13Å; W157-K159 PolarHBondContact O-N 3.27Å
160	L	84	Confident	83.5	Confident	31 Å²	31	90.8 Å²	90.8	16%	0.162	43%	0.432	C	S	.	.	S	Bend	trans	-79.1	136.3	-179.9	-76.8	150.7	0	0	0	110.6	F152 E156 W157 E158 Q164 K165	F152-L160 HydrophobicContact CD1-CD1 3.97Å; F152-L160 HydrophobicContact CD2-CD1 3.82Å; F152-L160 HydrophobicContact CE1-CD1 4.06Å; F152-L160 HydrophobicContact CE2-CD1 3.89Å; F152-L160 HydrophobicContact CG-CD1 3.85Å; F152-L160 HydrophobicContact CZ-CD1 4.03Å; E156-L160 PolarHBondContact O-N 3.35Å; W157-L160 HydrophobicContact CE3-CD1 3.83Å; W157-L160 HydrophobicContact CZ3-CD1 4.32Å; W157-L160 PolarHBondContact O-N 3.07Å; E158-L160 VanDerWaalsContact C-N 3.35Å; L160-Q164 HydrophobicContact CB-CB 4.29Å; L160-Q164 HydrophobicContact CD2-CB 3.63Å; L160-Q164 HydrophobicContact CD2-CG 4.37Å; L160-K165 HydrophobicContact CB-CG 3.92Å; L160-K165 WeakPolarHBondContact O-CE 3.46Å; L160-K165 PolarHBondContact O-NZ 3.42Å
161	E	85.3	Confident	83.6	Confident	120 Å²	120	89.3 Å²	89.3	56%	0.561	43%	0.425	S	S	*	.			trans	-68.5	157	171.9	-65.9	180	-167.1	0	0	111	W163 Q164 K165	E161-W163 VanDerWaalsContact C-N 3.27Å; E161-W163 PolarHBondContact O-N 3.22Å; E161-W163 VanDerWaalsContact OE2-CD1 3.23Å; E161-W163 PolarHBondContact OE2-NE1 3.22Å; E161-Q164 HydrophobicContact CB-CG 4.18Å; E161-Q164 WeakPolarHBondContact O-CA 3.48Å; E161-Q164 WeakPolarHBondContact O-CB 3.49Å; E161-Q164 PolarHBondContact O-N 3.2Å; E161-K165 PolarHBondContact O-N 3.02Å
162	E	83.9	Confident	83.8	Confident	121 Å²	121	83.9 Å²	83.9	57%	0.565	40%	0.404	S	S	*	.	H	α-helix	trans	-60.1	-36.7	-174.9	-161.8	58.2	-142.5	0	0	112.7	Q164 K165 E166	E162-Q164 VanDerWaalsContact C-N 3.29Å; E162-Q164 PolarHBondContact O-N 3.09Å; E162-K165 PolarHBondContact O-N 3.46Å; E162-E166 WeakPolarHBondContact O-CB 3.42Å; E162-E166 PolarHBondContact O-N 2.75Å
163	W	85.4	Confident	83.8	Confident	152 Å²	152	84.9 Å²	84.9	58%	0.576	41%	0.408	S	S	*	.	H	α-helix	trans	-69.4	-27.8	175.3	75.8	-91.8	0	0	0	112.6	E161 L167	E161-W163 VanDerWaalsContact C-N 3.27Å; E161-W163 PolarHBondContact O-N 3.22Å; E161-W163 VanDerWaalsContact OE2-CD1 3.23Å; E161-W163 PolarHBondContact OE2-NE1 3.22Å; W163-L167 HydrophobicContact CZ3-CD2 4.15Å; W163-L167 VanDerWaalsContact O-CB 3.31Å; W163-L167 WeakPolarHBondContact O-CB 3.49Å; W163-L167 PolarHBondContact O-N 3.23Å
164	Q	83.9	Confident	83.5	Confident	61 Å²	61	83.6 Å²	83.6	29%	0.285	40%	0.403	S	S	.	.	H	α-helix	trans	-74.7	-39.7	174.9	-61.2	177.9	-47.4	0	0	110.6	L160 E161 E162 E166 L167 Y168	L160-Q164 HydrophobicContact CB-CB 4.29Å; L160-Q164 HydrophobicContact CD2-CB 3.63Å; L160-Q164 HydrophobicContact CD2-CG 4.37Å; E161-Q164 HydrophobicContact CB-CG 4.18Å; E161-Q164 WeakPolarHBondContact O-CA 3.48Å; E161-Q164 WeakPolarHBondContact O-CB 3.49Å; E161-Q164 PolarHBondContact O-N 3.2Å; E162-Q164 VanDerWaalsContact C-N 3.29Å; E162-Q164 PolarHBondContact O-N 3.09Å; Q164-E166 VanDerWaalsContact C-N 3.32Å; Q164-L167 PolarHBondContact O-N 3.48Å; Q164-Y168 WeakPolarHBondContact O-CB 3.42Å; Q164-Y168 PolarHBondContact O-N 3.49Å
165	K	86	Confident	83.4	Confident	36 Å²	36	80.2 Å²	80.2	16%	0.157	38%	0.381	C	S	.	.	H	α-helix	trans	-61.4	-42.2	170.9	-67.1	176.8	178.2	163.2	0	111.1	W157 L160 E161 E162 Y168 K169	W157-K165 HydrophobicContact CD2-CG 4.38Å; W157-K165 HydrophobicContact CH2-CB 3.81Å; W157-K165 HydrophobicContact CH2-CG 3.85Å; W157-K165 HydrophobicContact CZ2-CB 3.81Å; W157-K165 HydrophobicContact CZ2-CD 3.97Å; W157-K165 HydrophobicContact CZ2-CG 3.66Å; W157-K165 HydrophobicContact CZ3-CG 4.29Å; W157-K165 WeakPolarHBondContact O-CE 3.33Å; L160-K165 HydrophobicContact CB-CG 3.92Å; L160-K165 WeakPolarHBondContact O-CE 3.46Å; L160-K165 PolarHBondContact O-NZ 3.42Å; E161-K165 PolarHBondContact O-N 3.02Å; E162-K165 PolarHBondContact O-N 3.46Å; K165-Y168 WeakPolarHBondContact O-CB 3.39Å; K165-Y168 PolarHBondContact O-N 3.3Å; K165-K169 WeakPolarHBondContact O-CG 3.48Å; K165-K169 PolarHBondContact O-N 2.79Å
166	E	84.3	Confident	83	Confident	87 Å²	87	79 Å²	79	41%	0.407	37%	0.367	S	S	.	.	H	α-helix	trans	-66.6	-41.6	176.1	-173.2	53.8	-145.6	0	0	111.9	E162 Q164 Y168 K169 N170	E162-E166 WeakPolarHBondContact O-CB 3.42Å; E162-E166 PolarHBondContact O-N 2.75Å; Q164-E166 VanDerWaalsContact C-N 3.32Å; E166-Y168 VanDerWaalsContact C-N 3.34Å; E166-Y168 PolarHBondContact O-N 2.96Å; E166-K169 PolarHBondContact O-N 3.05Å; E166-N170 PolarHBondContact O-N 3.39Å; E166-N170 PolarHBondContact O-ND2 3.28Å; E166-N170 PolarHBondContact OE1-ND2 2.98Å
167	L	81.8	Confident	82.7	Confident	87 Å²	87	79.1 Å²	79.1	46%	0.455	37%	0.368	S	S	.	.	H	α-helix	trans	-60.5	-44.9	172.9	179.3	63.7	0	0	0	111.3	W163 Q164 N170 I171	W163-L167 HydrophobicContact CZ3-CD2 4.15Å; W163-L167 VanDerWaalsContact O-CB 3.31Å; W163-L167 WeakPolarHBondContact O-CB 3.49Å; W163-L167 PolarHBondContact O-N 3.23Å; Q164-L167 PolarHBondContact O-N 3.48Å; L167-N170 PolarHBondContact O-N 3.26Å; L167-I171 HydrophobicContact CD1-CD1 4.12Å; L167-I171 HydrophobicContact CD1-CG1 4.34Å; L167-I171 HydrophobicContact CG-CD1 3.88Å; L167-I171 HydrophobicContact CG-CG1 4.49Å; L167-I171 WeakPolarHBondContact O-CG1 3.2Å; L167-I171 PolarHBondContact O-N 3.11Å
168	Y	84.5	Confident	82.2	Confident	22 Å²	22	78.6 Å²	78.6	9%	0.086	38%	0.377	C	S	.	.	H	α-helix	trans	-58.5	-47.7	175.9	174	-98.4	0	0	0	111.8	I150 F152 W157 Q164 K165 E166 N170 I171 M172 V191	I150-Y168 WeakPolarHBondContact O-CE2 3.34Å; I150-Y168 VanDerWaalsContact O-CZ 3.25Å; I150-Y168 PolarHBondContact O-OH 3.25Å; F152-Y168 AromaticContact CD2-CD2 3.86Å; F152-Y168 HydrophobicContact CD2-CD2 3.86Å; F152-Y168 AromaticContact CD2-CE2 3.75Å; F152-Y168 HydrophobicContact CD2-CE2 3.75Å; F152-Y168 HydrophobicContact CD2-CG 4.36Å; F152-Y168 AromaticContact CE2-CD2 3.4Å; F152-Y168 HydrophobicContact CE2-CD2 3.4Å; F152-Y168 VanDerWaalsContact CE2-CD2 3.4Å; F152-Y168 AromaticContact CE2-CE2 3.67Å; F152-Y168 HydrophobicContact CE2-CE2 3.67Å; F152-Y168 HydrophobicContact CE2-CG 4.05Å; W157-Y168 AromaticContact CH2-CD1 3.43Å; W157-Y168 HydrophobicContact CH2-CD1 3.43Å; W157-Y168 VanDerWaalsContact CH2-CD1 3.43Å; W157-Y168 HydrophobicContact CH2-CE1 4.01Å; W157-Y168 HydrophobicContact CH2-CG 4.15Å; W157-Y168 AromaticContact CZ3-CD1 3.3Å; W157-Y168 HydrophobicContact CZ3-CD1 3.3Å; W157-Y168 AromaticContact CZ3-CE1 3.71Å; W157-Y168 HydrophobicContact CZ3-CE1 3.71Å; W157-Y168 AromaticContact CZ3-CG 3.75Å; W157-Y168 HydrophobicContact CZ3-CG 3.75Å; Q164-Y168 WeakPolarHBondContact O-CB 3.42Å; Q164-Y168 PolarHBondContact O-N 3.49Å; K165-Y168 WeakPolarHBondContact O-CB 3.39Å; K165-Y168 PolarHBondContact O-N 3.3Å; E166-Y168 VanDerWaalsContact C-N 3.34Å; E166-Y168 PolarHBondContact O-N 2.96Å; Y168-N170 VanDerWaalsContact C-N 3.3Å; Y168-N170 PolarHBondContact O-N 3.4Å; Y168-I171 PolarHBondContact O-N 3.21Å; Y168-M172 HydrophobicContact CD1-CG 4.13Å; Y168-M172 HydrophobicContact CD2-CG 4.06Å; Y168-M172 HydrophobicContact CE1-CG 3.77Å; Y168-M172 HydrophobicContact CE2-CG 3.68Å; Y168-M172 HydrophobicContact CE2-SD 3.98Å; Y168-M172 HydrophobicContact CG-CG 4.32Å; Y168-M172 VanDerWaalsContact O-CG 3.32Å; Y168-M172 WeakPolarHBondContact O-CG 3.42Å; Y168-M172 PolarHBondContact O-N 3.35Å; Y168-V191 HydrophobicContact CE1-CG1 3.88Å
169	K	84.6	Confident	81.6	Confident	57 Å²	57	71.6 Å²	71.6	25%	0.248	34%	0.344	C	S	.	.	H	α-helix	trans	-56.4	-45.3	175.5	-72.5	172.1	-174.8	172.9	0	111.3	K165 E166 M172 K173 I195	K165-K169 WeakPolarHBondContact O-CG 3.48Å; K165-K169 PolarHBondContact O-N 2.79Å; E166-K169 PolarHBondContact O-N 3.05Å; K169-M172 PolarHBondContact O-N 3.1Å; K169-K173 VanDerWaalsContact O-CB 3.24Å; K169-K173 WeakPolarHBondContact O-CB 3.48Å; K169-K173 PolarHBondContact O-N 3.22Å; K169-I195 HydrophobicContact CB-CD1 4.24Å; K169-I195 HydrophobicContact CD-CD1 4.32Å; K169-I195 HydrophobicContact CD-CG1 4.3Å; K169-I195 HydrophobicContact CG-CD1 3.96Å; K169-I195 HydrophobicContact CG-CG1 4.37Å
170	N	81.1	Confident	80.7	Confident	86 Å²	86	67.1 Å²	67.1	46%	0.46	33%	0.327	S	S	.	.	H	α-helix	trans	-65.4	-39.1	178.8	-74.9	-54.9	0	0	0	112.7	E166 L167 Y168 G174	E166-N170 PolarHBondContact O-N 3.39Å; E166-N170 PolarHBondContact O-ND2 3.28Å; E166-N170 PolarHBondContact OE1-ND2 2.98Å; L167-N170 PolarHBondContact O-N 3.26Å; Y168-N170 VanDerWaalsContact C-N 3.3Å; Y168-N170 PolarHBondContact O-N 3.4Å; N170-G174 PolarHBondContact O-N 2.86Å
171	I	82.4	Confident	80	Confident	85 Å²	85	70.2 Å²	70.2	44%	0.436	35%	0.352	S	S	.	.	H	α-helix	trans	-65.9	-49.5	175.7	-68.9	167.2	0	0	0	110.6	L167 Y168 K173 G174 N175	L167-I171 HydrophobicContact CD1-CD1 4.12Å; L167-I171 HydrophobicContact CD1-CG1 4.34Å; L167-I171 HydrophobicContact CG-CD1 3.88Å; L167-I171 HydrophobicContact CG-CG1 4.49Å; L167-I171 WeakPolarHBondContact O-CG1 3.2Å; L167-I171 PolarHBondContact O-N 3.11Å; Y168-I171 PolarHBondContact O-N 3.21Å; I171-K173 VanDerWaalsContact C-N 3.29Å; I171-K173 PolarHBondContact O-N 3.29Å; I171-G174 PolarHBondContact O-N 3.22Å; I171-N175 WeakPolarHBondContact O-CB 3.43Å; I171-N175 VanDerWaalsContact O-CG 3.24Å; I171-N175 PolarHBondContact O-N 3.31Å
172	M	83.6	Confident	79	Confident	4 Å²	4	70.1 Å²	70.1	2%	0.02	35%	0.352	C	S	.	.	H	α-helix	trans	-62	-39.2	-179.6	-67.4	-60.8	-79.7	0	0	111.7	F145 Y151 Y168 K169 N175 Y176	F145-M172 HydrophobicContact CE1-CE 3.56Å; F145-M172 HydrophobicContact CZ-CE 3.46Å; F145-M172 VanDerWaalsContact CZ-CE 3.46Å; F145-M172 HydrophobicContact CZ-SD 4.36Å; Y151-M172 HydrophobicContact CE1-CE 4.43Å; Y168-M172 HydrophobicContact CD1-CG 4.13Å; Y168-M172 HydrophobicContact CD2-CG 4.06Å; Y168-M172 HydrophobicContact CE1-CG 3.77Å; Y168-M172 HydrophobicContact CE2-CG 3.68Å; Y168-M172 HydrophobicContact CE2-SD 3.98Å; Y168-M172 HydrophobicContact CG-CG 4.32Å; Y168-M172 VanDerWaalsContact O-CG 3.32Å; Y168-M172 WeakPolarHBondContact O-CG 3.42Å; Y168-M172 PolarHBondContact O-N 3.35Å; K169-M172 PolarHBondContact O-N 3.1Å; M172-N175 PolarHBondContact O-N 3.29Å; M172-Y176 WeakPolarHBondContact O-CB 3.35Å; M172-Y176 PolarHBondContact O-N 2.97Å
173	K	81.5	Confident	77.7	Confident	102 Å²	102	71.9 Å²	71.9	44%	0.443	37%	0.366	S	S	.	.	H	α-helix	trans	-63	-47.5	172.6	-174.9	-179.2	177	-175	0	112	K169 I171 N175 Y176 E177 L192	K169-K173 VanDerWaalsContact O-CB 3.24Å; K169-K173 WeakPolarHBondContact O-CB 3.48Å; K169-K173 PolarHBondContact O-N 3.22Å; I171-K173 VanDerWaalsContact C-N 3.29Å; I171-K173 PolarHBondContact O-N 3.29Å; K173-N175 VanDerWaalsContact C-N 3.32Å; K173-N175 PolarHBondContact O-N 3.48Å; K173-Y176 WeakPolarHBondContact O-CB 3.5Å; K173-Y176 PolarHBondContact O-N 3.03Å; K173-E177 WeakPolarHBondContact CE-OE1 3.46Å; K173-E177 WeakPolarHBondContact O-CG 3.47Å; K173-E177 PolarHBondContact O-N 3.41Å; K173-L192 HydrophobicContact CB-CD2 4.25Å; K173-L192 HydrophobicContact CG-CD2 4.46Å
174	G	77.8	Confident	76.5	Confident	26 Å²	26	67.5 Å²	67.5	27%	0.268	35%	0.35	S	S	.	.	H	α-helix	trans	-62.8	-37	177.9	0	0	0	0	0	113.1	N170 I171 S178	N170-G174 PolarHBondContact O-N 2.86Å; I171-G174 PolarHBondContact O-N 3.22Å; G174-S178 WeakPolarHBondContact O-CB 3.29Å; G174-S178 PolarHBondContact O-N 3.35Å; G174-S178 PolarHBondContact O-OG 3.39Å
175	N	77.2	Confident	75.1	Confident	42 Å²	42	69.9 Å²	69.9	23%	0.225	38%	0.38	C	S	.	.	H	α-helix	trans	-65.4	-42.1	174.5	-69.6	-13.4	0	0	0	111.5	F145 V148 I171 M172 K173 S178 L179	F145-N175 HydrophobicContact CE2-CB 4.36Å; V148-N175 HydrophobicContact CG1-CB 3.98Å; V148-N175 PolarHBondContact O-ND2 3.46Å; I171-N175 WeakPolarHBondContact O-CB 3.43Å; I171-N175 VanDerWaalsContact O-CG 3.24Å; I171-N175 PolarHBondContact O-N 3.31Å; M172-N175 PolarHBondContact O-N 3.29Å; K173-N175 VanDerWaalsContact C-N 3.32Å; K173-N175 PolarHBondContact O-N 3.48Å; N175-S178 PolarHBondContact O-N 3.11Å; N175-L179 PolarHBondContact O-N 3.1Å; N175-L179 VanDerWaalsContact O-N 3.08Å
176	Y	75.8	Confident	73.9	Confident	41 Å²	41	70.2 Å²	70.2	16%	0.161	38%	0.383	C	S	.	.	H	α-helix	trans	-63.4	-48.3	175.7	179.9	-110.2	0	0	0	111.9	F145 M172 K173 S178 L179 I180 L192	F145-Y176 HydrophobicContact CD2-CD2 4.3Å; F145-Y176 HydrophobicContact CE2-CD2 4.46Å; M172-Y176 WeakPolarHBondContact O-CB 3.35Å; M172-Y176 PolarHBondContact O-N 2.97Å; K173-Y176 WeakPolarHBondContact O-CB 3.5Å; K173-Y176 PolarHBondContact O-N 3.03Å; Y176-S178 VanDerWaalsContact C-N 3.26Å; Y176-S178 PolarHBondContact O-N 2.8Å; Y176-L179 PolarHBondContact O-N 3.4Å; Y176-I180 HydrophobicContact CD1-CD1 3.64Å; Y176-I180 HydrophobicContact CD2-CD1 4.39Å; Y176-I180 HydrophobicContact CE1-CD1 3.17Å; Y176-I180 HydrophobicContact CE1-CG1 4.34Å; Y176-I180 HydrophobicContact CE2-CD1 3.98Å; Y176-I180 HydrophobicContact CE2-CG1 4.39Å; Y176-I180 HydrophobicContact CG-CD1 4.23Å; Y176-I180 PolarHBondContact O-N 2.69Å; Y176-L192 HydrophobicContact CD1-CD1 4.3Å; Y176-L192 HydrophobicContact CD2-CD1 4.5Å; Y176-L192 HydrophobicContact CG-CD1 4.1Å
177	E	76.4	Confident	72.7	Confident	99 Å²	99	73.3 Å²	73.3	46%	0.463	40%	0.402	S	S	.	.	H	α-helix	trans	-59.5	-37	175.9	-72.2	175.2	179.6	0	0	112.1	K173 S181	K173-E177 WeakPolarHBondContact CE-OE1 3.46Å; K173-E177 WeakPolarHBondContact O-CG 3.47Å; K173-E177 PolarHBondContact O-N 3.41Å; E177-S181 WeakPolarHBondContact O-CB 3.44Å; E177-S181 PolarHBondContact O-N 3.25Å; E177-S181 PolarHBondContact O-OG 2.81Å
178	S	74.3	Confident	71.4	Confident	67 Å²	67	74 Å²	74	47%	0.469	40%	0.403	S	S	.	.	H	α-helix	trans	-66.2	-41.3	176.8	-61.4	0	0	0	0	112.2	G174 N175 Y176 S181 M182	G174-S178 WeakPolarHBondContact O-CB 3.29Å; G174-S178 PolarHBondContact O-N 3.35Å; G174-S178 PolarHBondContact O-OG 3.39Å; N175-S178 PolarHBondContact O-N 3.11Å; Y176-S178 VanDerWaalsContact C-N 3.26Å; Y176-S178 PolarHBondContact O-N 2.8Å; S178-S181 PolarHBondContact O-N 3.31Å; S178-M182 WeakPolarHBondContact O-CG 3.29Å; S178-M182 PolarHBondContact O-N 3.45Å
179	L	70.5	Confident	70.1	Confident	8 Å²	8	73.8 Å²	73.8	4%	0.042	40%	0.404	C	S	.	.	H	α-helix	trans	-71.2	-38.5	178.9	-73.6	165	0	0	0	112.3	V143 F145 V148 N175 Y176 S181 M182 Y184 I186	V143-L179 HydrophobicContact CB-CD2 4.27Å; V143-L179 HydrophobicContact CG1-CD2 4.06Å; F145-L179 HydrophobicContact CB-CD1 4.03Å; F145-L179 HydrophobicContact CD2-CD1 3.84Å; F145-L179 HydrophobicContact CG-CD1 4.4Å; V148-L179 HydrophobicContact CG2-CD1 4.33Å; N175-L179 PolarHBondContact O-N 3.1Å; N175-L179 VanDerWaalsContact O-N 3.08Å; Y176-L179 PolarHBondContact O-N 3.4Å; L179-S181 VanDerWaalsContact C-N 3.33Å; L179-M182 PolarHBondContact O-N 2.83Å; L179-Y184 HydrophobicContact CD2-CD2 4.2Å; L179-Y184 PolarHBondContact O-N 3.42Å; L179-I186 HydrophobicContact CB-CD1 3.66Å; L179-I186 HydrophobicContact CD1-CD1 3.75Å; L179-I186 HydrophobicContact CD2-CD1 4.26Å; L179-I186 HydrophobicContact CG-CD1 4.09Å
180	I	69.8	Low	68.7	Low	76 Å²	76	77.4 Å²	77.4	39%	0.39	43%	0.427	S	S	.	.	H	α-helix	trans	-61.5	-43.7	171.3	-68.1	166.2	0	0	0	110.6	Y176 M182 D183	Y176-I180 HydrophobicContact CD1-CD1 3.64Å; Y176-I180 HydrophobicContact CD2-CD1 4.39Å; Y176-I180 HydrophobicContact CE1-CD1 3.17Å; Y176-I180 HydrophobicContact CE1-CG1 4.34Å; Y176-I180 HydrophobicContact CE2-CD1 3.98Å; Y176-I180 HydrophobicContact CE2-CG1 4.39Å; Y176-I180 HydrophobicContact CG-CD1 4.23Å; Y176-I180 PolarHBondContact O-N 2.69Å; I180-M182 PolarHBondContact O-N 3.43Å; I180-M182 VanDerWaalsContact O-N 3.14Å; I180-D183 PolarHBondContact O-N 3.1Å
181	S	69.2	Low	67.6	Low	96 Å²	96	75.2 Å²	75.2	67%	0.671	42%	0.416	S	S	*	.	H	α-helix	trans	-63.4	-18.7	179	-60	0	0	0	0	113.2	E177 S178 L179 D183	E177-S181 WeakPolarHBondContact O-CB 3.44Å; E177-S181 PolarHBondContact O-N 3.25Å; E177-S181 PolarHBondContact O-OG 2.81Å; S178-S181 PolarHBondContact O-N 3.31Å; L179-S181 VanDerWaalsContact C-N 3.33Å; S181-D183 VanDerWaalsContact C-N 3.3Å
182	M	66.1	Low	66.1	Low	117 Å²	117	72.1 Å²	72.1	58%	0.576	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	14.9	173.4	-68.3	177.2	73.7	0	0	113	S178 L179 I180 Y184	S178-M182 WeakPolarHBondContact O-CG 3.29Å; S178-M182 PolarHBondContact O-N 3.45Å; L179-M182 PolarHBondContact O-N 2.83Å; I180-M182 PolarHBondContact O-N 3.43Å; I180-M182 VanDerWaalsContact O-N 3.14Å; M182-Y184 HydrophobicContact CB-CD2 3.62Å; M182-Y184 HydrophobicContact CB-CE2 3.72Å; M182-Y184 HydrophobicContact CE-CE2 3.95Å; M182-Y184 PolarHBondContact O-N 3.16Å; M182-Y184 HydrophobicContact SD-CE2 4.39Å
183	D	56.1	Low	64.6	Low	158 Å²	158	74.5 Å²	74.5	85%	0.845	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.9	22.1	-178.5	-63.2	-41.2	0	0	0	114.7	I180 S181 A185	I180-D183 PolarHBondContact O-N 3.1Å; S181-D183 VanDerWaalsContact C-N 3.3Å; D183-A185 PolarHBondContact O-N 3.34Å
184	Y	60.6	Low	63	Low	61 Å²	61	77.4 Å²	77.4	24%	0.239	43%	0.432	C	S	.	.			trans	-79.6	121.3	171.3	-67.4	-74.6	0	0	0	110.2	L179 M182 I186	L179-Y184 HydrophobicContact CD2-CD2 4.2Å; L179-Y184 PolarHBondContact O-N 3.42Å; M182-Y184 HydrophobicContact CB-CD2 3.62Å; M182-Y184 HydrophobicContact CB-CE2 3.72Å; M182-Y184 HydrophobicContact CE-CE2 3.95Å; M182-Y184 PolarHBondContact O-N 3.16Å; M182-Y184 HydrophobicContact SD-CE2 4.39Å; Y184-I186 PolarHBondContact O-N 3.4Å; Y184-I186 VanDerWaalsContact O-N 3.09Å
185	A	53.4	Low	61.4	Low	111 Å²	111	79.7 Å²	79.7	92%	0.917	44%	0.438	S	S	*	.			trans	-75.2	94.7	169.9	0	0	0	0	0	109.2	D183	D183-A185 PolarHBondContact O-N 3.34Å
186	I	61.5	Low	59.2	Low	43 Å²	43	84.3 Å²	84.3	22%	0.221	46%	0.458	C	S	.	.			trans	-118.2	134.1	178.1	-46.4	-179.3	0	0	0	108.8	F145 L179 Y184	F145-I186 HydrophobicContact CB-CD1 4.28Å; F145-I186 HydrophobicContact CB-CG2 3.85Å; L179-I186 HydrophobicContact CB-CD1 3.66Å; L179-I186 HydrophobicContact CD1-CD1 3.75Å; L179-I186 HydrophobicContact CD2-CD1 4.26Å; L179-I186 HydrophobicContact CG-CD1 4.09Å; Y184-I186 PolarHBondContact O-N 3.4Å; Y184-I186 VanDerWaalsContact O-N 3.09Å
187	N	58.3	Low	57.1	Low	152 Å²	152	88.6 Å²	88.6	81%	0.813	49%	0.491	S	S	*	.	P	Polyproline II helix	trans	-66.3	143.8	173.9	-65.5	-48.1	0	0	0	110.2	P189	N187-P189 WeakPolarHBondContact O-CD 3.49Å
188	Q	55.4	Low	54.9	Low	101 Å²	101	92.5 Å²	92.5	47%	0.472	51%	0.509	S	S	.	.	P	Polyproline II helix	trans	-60.8	118.7	177.1	-173.6	173.1	-10.4	0	0	110.2	L192	Q188-L192 HydrophobicContact CG-CB 4Å; Q188-L192 HydrophobicContact CG-CD1 4.38Å
189	P	56.9	Low	52.6	Low	18 Å²	18	92.5 Å²	92.5	12%	0.117	52%	0.52	C	S	.	.	P	Polyproline II helix	trans	-64.7	145.3	179.6	-18.8	27.2	0	0	0	113	F145 N187 V191 L192	F145-P189 HydrophobicContact CD1-CB 4.05Å; F145-P189 HydrophobicContact CD1-CG 3.31Å; F145-P189 HydrophobicContact CD2-CG 4.13Å; F145-P189 HydrophobicContact CE1-CB 3.76Å; F145-P189 HydrophobicContact CE1-CG 3.27Å; F145-P189 HydrophobicContact CE2-CG 4.12Å; F145-P189 HydrophobicContact CG-CG 3.76Å; F145-P189 HydrophobicContact CZ-CB 4.41Å; F145-P189 HydrophobicContact CZ-CG 3.7Å; N187-P189 WeakPolarHBondContact O-CD 3.49Å; P189-V191 PolarHBondContact O-N 3.33Å; P189-L192 HydrophobicContact CG-CD1 4.25Å; P189-L192 WeakPolarHBondContact O-CB 3.09Å; P189-L192 PolarHBondContact O-N 3.26Å
190	D	55.3	Low	50.4	Low	133 Å²	133	100.6 Å²	100.6	71%	0.711	56%	0.558	S	S	*	*	H	α-helix	trans	-55.2	-27.9	-178.2	-72.6	-25.7	0	0	0	114.3	L192 S193 Q194	D190-L192 PolarHBondContact O-N 3.36Å; D190-S193 WeakPolarHBondContact O-CB 3.25Å; D190-S193 PolarHBondContact O-N 3.43Å; D190-Q194 PolarHBondContact O-N 3.36Å
191	V	56.6	Low	48.3	Very low	39 Å²	39	105.8 Å²	105.8	24%	0.236	58%	0.58	C	S	.	*	H	α-helix	trans	-60.8	-29.3	175.2	179.9	0	0	0	0	111.8	Y151 Y168 P189 I195	Y151-V191 HydrophobicContact CD1-CG2 4.18Å; Y151-V191 HydrophobicContact CE1-CG2 3.91Å; Y168-V191 HydrophobicContact CE1-CG1 3.88Å; P189-V191 PolarHBondContact O-N 3.33Å; V191-I195 WeakPolarHBondContact O-CG1 3.44Å
192	L	51.4	Low	46.1	Very low	20 Å²	20	107 Å²	107	11%	0.105	58%	0.579	C	S	.	*	H	α-helix	trans	-83.8	-18.6	174.5	-74	144.4	0	0	0	112.7	K173 Y176 Q188 P189 D190 I195	K173-L192 HydrophobicContact CB-CD2 4.25Å; K173-L192 HydrophobicContact CG-CD2 4.46Å; Y176-L192 HydrophobicContact CD1-CD1 4.3Å; Y176-L192 HydrophobicContact CD2-CD1 4.5Å; Y176-L192 HydrophobicContact CG-CD1 4.1Å; Q188-L192 HydrophobicContact CG-CB 4Å; Q188-L192 HydrophobicContact CG-CD1 4.38Å; P189-L192 HydrophobicContact CG-CD1 4.25Å; P189-L192 WeakPolarHBondContact O-CB 3.09Å; P189-L192 PolarHBondContact O-N 3.26Å; D190-L192 PolarHBondContact O-N 3.36Å; L192-I195 HydrophobicContact CD2-CD1 4.06Å; L192-I195 HydrophobicContact CG-CD1 4.47Å
193	S	52.9	Low	44.1	Very low	55 Å²	55	106.8 Å²	106.8	39%	0.385	59%	0.585	S	S	.	*	H	α-helix	trans	-75	-38	175.5	-54.5	0	0	0	0	111.5	D190 I195 Q196	D190-S193 WeakPolarHBondContact O-CB 3.25Å; D190-S193 PolarHBondContact O-N 3.43Å; S193-I195 PolarHBondContact O-N 2.98Å; S193-I195 VanDerWaalsContact O-N 3.15Å; S193-Q196 PolarHBondContact O-N 3.5Å
194	Q	46.8	Very low	42.5	Very low	162 Å²	162	107.1 Å²	107.1	76%	0.757	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69	-3.9	173.8	-74.3	-179.3	5.1	0	0	114.7	D190 Q196	D190-Q194 PolarHBondContact O-N 3.36Å; Q194-Q196 VanDerWaalsContact C-N 3.31Å
195	I	44.8	Very low	40.8	Very low	75 Å²	75	110 Å²	110	39%	0.385	60%	0.601	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.6	-11.9	177.1	-61.9	174.6	0	0	0	111.2	K169 V191 L192 S193	K169-I195 HydrophobicContact CB-CD1 4.24Å; K169-I195 HydrophobicContact CD-CD1 4.32Å; K169-I195 HydrophobicContact CD-CG1 4.3Å; K169-I195 HydrophobicContact CG-CD1 3.96Å; K169-I195 HydrophobicContact CG-CG1 4.37Å; V191-I195 WeakPolarHBondContact O-CG1 3.44Å; L192-I195 HydrophobicContact CD2-CD1 4.06Å; L192-I195 HydrophobicContact CG-CD1 4.47Å; S193-I195 PolarHBondContact O-N 2.98Å; S193-I195 VanDerWaalsContact O-N 3.15Å
196	Q	31.1	Very low	39.3	Very low	138 Å²	138	112.4 Å²	112.4	65%	0.645	59%	0.593	S	S	*	*	S	Bend	trans	-84.9	129.6	170.2	-66.5	-176.6	45.8	0	0	109.1	S193 Q194 E198	S193-Q196 PolarHBondContact O-N 3.5Å; Q194-Q196 VanDerWaalsContact C-N 3.31Å; Q196-E198 PolarHBondContact O-N 3.45Å
197	P	32	Very low	37.5	Very low	132 Å²	132	114.6 Å²	114.6	86%	0.857	62%	0.617	S	S	*	*			trans	-67.5	99.7	-168.9	25.6	-31.9	0	0	0	110.5	G199	P197-G199 PolarHBondContact O-N 3.2Å
198	E	29.1	Very low	36	Very low	180 Å²	180	110.6 Å²	110.6	84%	0.841	61%	0.612	S	S	*	*			trans	-80.8	106.6	169.5	-70.6	-168.8	159.1	0	0	109.5	Q196	Q196-E198 PolarHBondContact O-N 3.45Å
199	G	27.4	Very low	34.9	Very low	68 Å²	68	107.8 Å²	107.8	70%	0.701	60%	0.603	S	S	*	*				57.6	86.7	124.6	0	0	0	0	0	117.1	P197 H201	P197-G199 PolarHBondContact O-N 3.2Å; G199-H201 PolarHBondContact O-N 3.44Å; G199-H201 VanDerWaalsContact O-N 3.1Å
200	E	24.5	Very low	33.4	Very low	177 Å²	177	111.9 Å²	111.9	83%	0.827	62%	0.62	S	S	*	*			trans	-14	100.4	146.6	-60.8	171.5	176.6	0	0	114.5
201	H	25.9	Very low	32.1	Very low	186 Å²	186	111.9 Å²	111.9	86%	0.861	62%	0.616	S	S	*	*			trans	-103.3	98	151.5	-132.8	-59.1	0	0	0	109	G199	G199-H201 PolarHBondContact O-N 3.44Å; G199-H201 VanDerWaalsContact O-N 3.1Å
202	N	22	Very low	30.7	Very low	121 Å²	121	115 Å²	115	65%	0.647	64%	0.64	S	S	*	*			trans	-53.3	134.2	163	-64.6	-66.3	0	0	0	110.9
203	T	24.8	Very low	29.5	Very low	113 Å²	113	121.5 Å²	121.5	69%	0.693	67%	0.67	S	S	*	*			trans	-165.4	108.7	133	25.3	0	0	0	0	103.2
204	E	22.8	Very low	28.4	Very low	164 Å²	164	125.2 Å²	125.2	77%	0.766	68%	0.684	S	S	*	*				55.4	114.6	97.4	-77.6	163.8	125.8	0	0	109
205	D	23.9	Very low	27.6	Very low	123 Å²	123	122.7 Å²	122.7	66%	0.658	68%	0.681	S	S	*	*			cis	-174.7	153.1	38.6	-128.4	-23.6	0	0	0	108.9
206	Q	23	Very low	26.7	Very low	160 Å²	160	125 Å²	125	75%	0.748	70%	0.699	S	S	*	*			trans	69.3	100.7	153.3	-64.5	179.9	41.8	0	0	117
207	A	23.7	Very low	26.4	Very low	89 Å²	89	125.6 Å²	125.6	74%	0.736	71%	0.706	S	S	*	*				64.2	97.4	86.8	0	0	0	0	0	108.8
208	G	25.1	Very low	26.7	Very low	69 Å²	69	123.8 Å²	123.8	71%	0.711	70%	0.695	S	S	*	*				62.8	109.1	55.7	0	0	0	0	0	106.4
209	P	32.4	Very low	26.8	Very low	42 Å²	42	121 Å²	121	27%	0.273	70%	0.695	S	S	.	*				-143.4	141.1	110.5	7.9	18.3	0	0	0	110.7	P371 C372	P209-P371 HydrophobicContact CG-CB 3.48Å; P209-P371 VanDerWaalsContact CG-CB 3.48Å; P209-C372 HydrophobicContact CB-CB 4.39Å; P209-C372 WeakPolarHBondContact CB-O 3.47Å; P209-C372 VanDerWaalsContact CG-C 3.4Å; P209-C372 VanDerWaalsContact CG-N 3.28Å; P209-C372 WeakPolarHBondContact CG-O 3.48Å
210	E	27	Very low	27	Very low	104 Å²	104	126.6 Å²	126.6	49%	0.486	70%	0.703	S	S	.	*				58	125.3	76.8	-63.2	-166.5	166.5	0	0	110.6	C375	E210-C375 WeakPolarHBondContact OE2-CB 3.43Å; E210-C375 PolarHBondContact OE2-SG 3.16Å
211	E	26.5	Very low	27.2	Very low	133 Å²	133	126.4 Å²	126.4	62%	0.621	70%	0.702	S	S	*	*			cis	-179.4	173.2	20.1	-121.2	171.1	-175.5	0	0	107.3
212	S	27.8	Very low	27.8	Very low	105 Å²	105	122 Å²	122	73%	0.734	69%	0.69	S	S	*	*			trans	80.8	137.6	148.6	77.6	0	0	0	0	118
213	E	26.7	Very low	28.3	Very low	156 Å²	156	120 Å²	120	73%	0.729	70%	0.697	S	S	*	*			cis	179.9	126.4	-25.4	-116.5	-178.3	-171.9	0	0	102.8
214	I	28.3	Very low	29	Very low	133 Å²	133	119.8 Å²	119.8	68%	0.682	69%	0.691	S	S	*	*			trans	71.2	158.9	142.4	-53.6	163.6	0	0	0	114.6
215	P	31.3	Very low	29.6	Very low	108 Å²	108	114.7 Å²	114.7	70%	0.701	67%	0.673	S	S	*	*			cis	-121.2	142.5	-9.2	15.4	8.7	0	0	0	112.7
216	T	24.6	Very low	30.1	Very low	124 Å²	124	113.6 Å²	113.6	76%	0.761	67%	0.672	S	S	*	*				52.9	109.4	82.4	-41.4	0	0	0	0	115.2
217	D	26.1	Very low	30.8	Very low	150 Å²	150	109.9 Å²	109.9	80%	0.802	66%	0.663	S	S	*	*				-170.6	174.5	119.4	-133.3	13	0	0	0	112.4
218	P	37.6	Very low	31.5	Very low	94 Å²	94	108 Å²	108	61%	0.61	64%	0.641	S	S	*	*				-134	150.2	-116.2	40.8	-19.8	0	0	0	114
219	S	31.4	Very low	32.3	Very low	121 Å²	121	107.7 Å²	107.7	85%	0.846	62%	0.622	S	S	*	*			trans	161.7	83.8	147.2	-84.2	0	0	0	0	109.9
220	E	31.3	Very low	32.8	Very low	187 Å²	187	110.3 Å²	110.3	87%	0.874	63%	0.633	S	S	*	*			trans	-133.4	103.3	153.6	-71.9	-164.3	158.2	0	0	108.3	P222	E220-P222 WeakPolarHBondContact O-CD 3.49Å
221	E	29.8	Very low	33.4	Very low	173 Å²	173	108.3 Å²	108.3	81%	0.808	63%	0.631	S	S	*	*			trans	-62.2	114.2	173.9	-80.9	-88.7	146.9	0	0	110.5
222	P	38.3	Very low	33.9	Very low	94 Å²	94	104.5 Å²	104.5	61%	0.61	61%	0.611	S	S	*	*	P	Polyproline II helix	trans	-82.4	130	-174.9	-12.3	29.4	0	0	0	113.4	E220 R441	E220-P222 WeakPolarHBondContact O-CD 3.49Å; P222-R441 PolarHBondContact O-NH2 3.04Å
223	G	32.5	Very low	34.6	Very low	77 Å²	77	102.7 Å²	102.7	79%	0.794	59%	0.592	S	S	*	*	P	Polyproline II helix	trans	-50.3	142	-179.5	0	0	0	0	0	115.6
224	I	38.5	Very low	35.3	Very low	110 Å²	110	102.1 Å²	102.1	56%	0.564	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-75.8	120.5	-175.9	-44.6	166.3	0	0	0	109.6	I229	I224-I229 HydrophobicContact CG2-CD1 3.99Å; I224-I229 HydrophobicContact CG2-CG1 4.2Å
225	S	35.7	Very low	35.5	Very low	56 Å²	56	101.8 Å²	101.8	39%	0.392	58%	0.583	S	S	.	*	P	Polyproline II helix	trans	-73.9	126.7	172.8	-176.3	0	0	0	0	111.2	S227 D228	S225-S227 PolarHBondContact O-N 3.48Å; S225-S227 VanDerWaalsContact O-N 3.1Å; S225-D228 PolarHBondContact O-N 2.95Å; S225-D228 VanDerWaalsContact O-N 3.12Å
226	T	35.1	Very low	35.9	Very low	101 Å²	101	98.8 Å²	98.8	62%	0.62	56%	0.559	S	S	*	*	H	α-helix	trans	-57.3	-23.7	179.8	51.6	0	0	0	0	113.8	D228 L230	T226-D228 PolarHBondContact O-N 2.84Å; T226-L230 WeakPolarHBondContact O-CD1 3.49Å; T226-L230 WeakPolarHBondContact O-CG 3.37Å; T226-L230 PolarHBondContact O-N 2.84Å
227	S	37.1	Very low	36.3	Very low	82 Å²	82	101.1 Å²	101.1	57%	0.573	56%	0.561	S	S	*	*	H	α-helix	trans	-67.6	-32.6	177.9	-69.7	0	0	0	0	113.2	S225 S231	S225-S227 PolarHBondContact O-N 3.48Å; S225-S227 VanDerWaalsContact O-N 3.1Å; S227-S231 PolarHBondContact O-N 3.17Å
228	D	39.4	Very low	36.4	Very low	49 Å²	49	99.6 Å²	99.6	26%	0.262	55%	0.55	S	S	.	.	H	α-helix	trans	-73.5	-40.8	-178	-75.1	-27	0	0	0	111.3	S225 T226 L230 S231 R425	S225-D228 PolarHBondContact O-N 2.95Å; S225-D228 VanDerWaalsContact O-N 3.12Å; T226-D228 PolarHBondContact O-N 2.84Å; D228-L230 VanDerWaalsContact C-N 3.29Å; D228-L230 PolarHBondContact O-N 3.1Å; D228-S231 PolarHBondContact O-N 3.4Å; D228-S231 PolarHBondContact O-OG 2.91Å; D228-R425 IonicContact OD2-NH2 2.85Å
229	I	40	Very low	36	Very low	62 Å²	62	99.9 Å²	99.9	32%	0.318	55%	0.551	S	S	.	*	H	α-helix	trans	-60.6	-40.3	176.9	-58.4	174.9	0	0	0	110.8	I224 W232 I233	I224-I229 HydrophobicContact CG2-CD1 3.99Å; I224-I229 HydrophobicContact CG2-CG1 4.2Å; I229-W232 PolarHBondContact O-N 3.33Å; I229-I233 HydrophobicContact CG2-CD1 4.43Å; I229-I233 PolarHBondContact O-N 3.3Å
230	L	43.6	Very low	35.9	Very low	98 Å²	98	103.1 Å²	103.1	51%	0.513	55%	0.553	S	S	.	*	H	α-helix	trans	-72.2	-32.1	-177.6	-69.5	169.9	0	0	0	113.1	T226 D228 W232	T226-L230 WeakPolarHBondContact O-CD1 3.49Å; T226-L230 WeakPolarHBondContact O-CG 3.37Å; T226-L230 PolarHBondContact O-N 2.84Å; D228-L230 VanDerWaalsContact C-N 3.29Å; D228-L230 PolarHBondContact O-N 3.1Å; L230-W232 PolarHBondContact O-N 2.97Å
231	S	40	Very low	35.6	Very low	61 Å²	61	100.1 Å²	100.1	43%	0.427	55%	0.547	S	S	.	.	H	α-helix	trans	-63.1	-26.3	175.8	77.1	0	0	0	0	112.6	S227 D228	S227-S231 PolarHBondContact O-N 3.17Å; D228-S231 PolarHBondContact O-N 3.4Å; D228-S231 PolarHBondContact O-OG 2.91Å
232	W	37.2	Very low	35.4	Very low	53 Å²	53	94.8 Å²	94.8	20%	0.201	54%	0.539	C	S	.	.	H	α-helix	trans	-86.5	-39.4	-178.8	-67.7	-10.5	0	0	0	114	I229 L230 K234 Q235 E236 F436 H445 L466	I229-W232 PolarHBondContact O-N 3.33Å; L230-W232 PolarHBondContact O-N 2.97Å; W232-K234 PolarHBondContact O-N 3.42Å; W232-Q235 PolarHBondContact O-N 3.02Å; W232-E236 PolarHBondContact O-N 2.83Å; W232-F436 HydrophobicContact CH2-CE1 4.25Å; W232-F436 AromaticContact CZ2-CE1 3.79Å; W232-F436 HydrophobicContact CZ2-CE1 3.79Å; W232-H445 HydrophobicContact CZ2-CB 4.37Å; W232-L466 HydrophobicContact CE3-CD1 3.88Å
233	I	42.5	Very low	34.6	Very low	67 Å²	67	94.6 Å²	94.6	34%	0.344	55%	0.545	S	S	.	.	H	α-helix	trans	-58	-35	176	-64.4	171.3	0	0	0	110.5	I229 Q235 E236 L472	I229-I233 HydrophobicContact CG2-CD1 4.43Å; I229-I233 PolarHBondContact O-N 3.3Å; I233-Q235 VanDerWaalsContact C-N 3.27Å; I233-Q235 PolarHBondContact O-N 3.18Å; I233-E236 PolarHBondContact O-N 2.95Å; I233-L472 HydrophobicContact CD1-CD1 4.44Å
234	K	40.7	Very low	34.3	Very low	144 Å²	144	96.5 Å²	96.5	63%	0.626	54%	0.543	S	S	*	.	H	α-helix	trans	-67.7	-24.2	178	-164.8	172.2	-176.9	179.7	0	113.8	W232	W232-K234 PolarHBondContact O-N 3.42Å
235	Q	33.2	Very low	33.7	Very low	126 Å²	126	97 Å²	97	59%	0.589	55%	0.554	S	S	*	*	H	α-helix	trans	-88	-21.8	-177.3	-136.9	173	4	0	0	112.5	W232 I233	W232-Q235 PolarHBondContact O-N 3.02Å; I233-Q235 VanDerWaalsContact C-N 3.27Å; I233-Q235 PolarHBondContact O-N 3.18Å
236	E	38.7	Very low	33	Very low	46 Å²	46	103.7 Å²	103.7	22%	0.215	58%	0.579	C	S	.	*	H	α-helix	trans	-79.9	-16	179.3	-66.6	-161.8	126.3	0	0	114.2	W232 I233 E238 S465 S469	W232-E236 PolarHBondContact O-N 2.83Å; I233-E236 PolarHBondContact O-N 2.95Å; E236-E238 VanDerWaalsContact C-N 3.27Å; E236-E238 PolarHBondContact O-N 3.43Å; E236-S465 WeakPolarHBondContact OE1-CB 3.41Å; E236-S465 PolarHBondContact OE1-N 3.24Å; E236-S465 PolarHBondContact OE1-OG 2.83Å; E236-S469 WeakPolarHBondContact OE2-CB 3.28Å; E236-S469 PolarHBondContact OE2-OG 2.94Å
237	E	34.3	Very low	32.6	Very low	172 Å²	172	103.7 Å²	103.7	80%	0.804	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.3	0.2	174.8	-76.1	-168.5	143.2	0	0	113.8	P239	E237-P239 WeakPolarHBondContact O-CD 3.19Å
238	E	28.5	Very low	32	Very low	119 Å²	119	109.7 Å²	109.7	56%	0.556	60%	0.599	S	S	*	*	S	Bend	trans	-86.2	114.5	172.3	-124.9	-168.7	149.8	0	0	110.9	E236 Q240 K551	E236-E238 VanDerWaalsContact C-N 3.27Å; E236-E238 PolarHBondContact O-N 3.43Å; E238-Q240 PolarHBondContact O-N 3.06Å; E238-Q240 VanDerWaalsContact O-N 3.11Å; E238-K551 IonicContact OE1-NZ 3.54Å; E238-K551 PolarHBondContact OE1-NZ 3.33Å
239	P	28.8	Very low	31.2	Very low	99 Å²	99	116.2 Å²	116.2	64%	0.643	63%	0.628	S	S	*	*			trans	-67.9	112.9	168.4	-8.5	24.8	0	0	0	107.4	E237 V241	E237-P239 WeakPolarHBondContact O-CD 3.19Å; P239-V241 PolarHBondContact O-N 2.95Å; P239-V241 VanDerWaalsContact O-N 3.13Å
240	Q	28.4	Very low	30.5	Very low	190 Å²	190	118.1 Å²	118.1	89%	0.888	65%	0.647	S	S	*	*			trans	-68.8	108.7	171.5	-68.8	-147.9	-8.7	0	0	109.1	E238 G242	E238-Q240 PolarHBondContact O-N 3.06Å; E238-Q240 VanDerWaalsContact O-N 3.11Å; Q240-G242 VanDerWaalsContact C-N 3.28Å; Q240-G242 PolarHBondContact O-N 2.93Å
241	V	25.6	Very low	29.6	Very low	124 Å²	124	121.1 Å²	121.1	75%	0.752	66%	0.663	S	S	*	*			trans	-77.6	86.8	160.7	175.6	0	0	0	0	105.8	P239	P239-V241 PolarHBondContact O-N 2.95Å; P239-V241 VanDerWaalsContact O-N 3.13Å
242	G	24.6	Very low	29	Very low	61 Å²	61	124.4 Å²	124.4	63%	0.629	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-71.2	133	155.2	0	0	0	0	0	107.7	Q240	Q240-G242 VanDerWaalsContact C-N 3.28Å; Q240-G242 PolarHBondContact O-N 2.93Å
243	A	23	Very low	28.3	Very low	89 Å²	89	132.2 Å²	132.2	74%	0.736	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-52.7	139.4	177.6	0	0	0	0	0	110.6
244	P	25	Very low	27.5	Very low	117 Å²	117	137.4 Å²	137.4	76%	0.76	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-74	129.2	-169.1	-1.8	18.1	0	0	0	110	E246	P244-E246 PolarHBondContact O-N 3.28Å
245	P	25.4	Very low	26.8	Very low	122 Å²	122	134.6 Å²	134.6	79%	0.792	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-70.3	126	163.4	27.9	-28.7	0	0	0	108.9	S247	P245-S247 PolarHBondContact O-N 2.77Å; P245-S247 VanDerWaalsContact O-N 3.16Å
246	E	21.7	Very low	26.4	Very low	195 Å²	195	134.3 Å²	134.3	91%	0.911	74%	0.737	S	S	*	*			trans	-63.5	104.9	172.2	-64.4	176.7	151.5	0	0	110.1	P244	P244-E246 PolarHBondContact O-N 3.28Å
247	S	26.4	Very low	25.8	Very low	102 Å²	102	139.3 Å²	139.3	71%	0.713	76%	0.755	S	S	*	*			trans	-173.8	117	145	54.5	0	0	0	0	112.3	P245	P245-S247 PolarHBondContact O-N 2.77Å; P245-S247 VanDerWaalsContact O-N 3.16Å
248	K	24.8	Very low	25.4	Very low	207 Å²	207	134.9 Å²	134.9	90%	0.9	75%	0.748	S	S	*	*			trans	66.4	116.8	143.1	-61.9	-176.2	178.9	-179.9	0	118.9
249	E	21.7	Very low	25.5	Very low	187 Å²	187	136 Å²	136	87%	0.874	76%	0.758	S	S	*	*			trans	-37.8	164.7	164.4	-66.6	170	135.6	0	0	116.3
250	S	26.3	Very low	25.4	Very low	102 Å²	102	139.5 Å²	139.5	71%	0.713	77%	0.766	S	S	*	*			trans	77	82.1	172.9	74.8	0	0	0	0	115.9
251	D	24.8	Very low	25.3	Very low	160 Å²	160	138.4 Å²	138.4	86%	0.856	76%	0.761	S	S	*	*				-168.1	133.6	100.3	-93.9	-32.8	0	0	0	112.8	Y253	D251-Y253 PolarHBondContact O-N 3.31Å
252	V	26.6	Very low	25.2	Very low	131 Å²	131	140.3 Å²	140.3	79%	0.794	77%	0.766	S	S	*	*			trans	-68.2	93.1	-176.7	170.4	0	0	0	0	109.4	K254	V252-K254 VanDerWaalsContact C-N 3.32Å; V252-K254 HydrophobicContact CG1-CB 4.09Å; V252-K254 PolarHBondContact O-N 3.35Å
253	Y	23.6	Very low	25.3	Very low	217 Å²	217	141.5 Å²	141.5	85%	0.851	76%	0.761	S	S	*	*			trans	-86.9	80	162.4	-151.7	-98.1	0	0	0	109.3	D251 S255	D251-Y253 PolarHBondContact O-N 3.31Å; Y253-S255 VanDerWaalsContact C-N 3.33Å; Y253-S255 PolarHBondContact O-N 3.41Å
254	K	25.9	Very low	25.4	Very low	175 Å²	175	144.7 Å²	144.7	76%	0.761	76%	0.764	S	S	*	*			trans	-67.4	91.1	170.9	-145.5	172.9	-169.5	174	0	107.4	V252 T256	V252-K254 VanDerWaalsContact C-N 3.32Å; V252-K254 HydrophobicContact CG1-CB 4.09Å; V252-K254 PolarHBondContact O-N 3.35Å; K254-T256 VanDerWaalsContact C-N 3.31Å; K254-T256 PolarHBondContact O-N 2.91Å
255	S	25.9	Very low	25.2	Very low	86 Å²	86	146.8 Å²	146.8	60%	0.601	76%	0.761	S	S	*	*			trans	-67.9	94.9	170	-175.7	0	0	0	0	108.3	Y253 Y257	Y253-S255 VanDerWaalsContact C-N 3.33Å; Y253-S255 PolarHBondContact O-N 3.41Å; S255-Y257 PolarHBondContact O-N 3.09Å
256	T	23.4	Very low	25.3	Very low	120 Å²	120	145.5 Å²	145.5	74%	0.736	76%	0.761	S	S	*	*			trans	-71.2	79.3	167.2	47.7	0	0	0	0	108.9	K254	K254-T256 VanDerWaalsContact C-N 3.31Å; K254-T256 PolarHBondContact O-N 2.91Å
257	Y	26.4	Very low	25.4	Very low	150 Å²	150	144 Å²	144	59%	0.588	75%	0.754	S	S	*	*			trans	-88.7	80.1	141.6	-90.3	-87.7	0	0	0	105.5	S255 D259	S255-Y257 PolarHBondContact O-N 3.09Å; Y257-D259 PolarHBondContact O-N 3.21Å; Y257-D259 VanDerWaalsContact O-N 3.15Å
258	A	27.5	Very low	25.5	Very low	80 Å²	80	142.6 Å²	142.6	66%	0.661	76%	0.755	S	S	*	*			trans	-58.7	113.5	153	0	0	0	0	0	104.6	E260	A258-E260 VanDerWaalsContact C-N 3.31Å; A258-E260 PolarHBondContact O-N 3.19Å
259	D	29.8	Very low	25.7	Very low	143 Å²	143	141.4 Å²	141.4	77%	0.765	76%	0.758	S	S	*	*			trans	-49.7	105.8	163.9	-92.7	-39	0	0	0	105.3	Y257 E261	Y257-D259 PolarHBondContact O-N 3.21Å; Y257-D259 VanDerWaalsContact O-N 3.15Å; D259-E261 VanDerWaalsContact C-N 3.3Å; D259-E261 PolarHBondContact O-N 3.27Å
260	E	26.2	Very low	25.7	Very low	172 Å²	172	137.1 Å²	137.1	80%	0.804	75%	0.754	S	S	*	*			trans	-58.6	107.2	164.7	-69.1	-142.9	144.4	0	0	105.8	A258 L262	A258-E260 VanDerWaalsContact C-N 3.31Å; A258-E260 PolarHBondContact O-N 3.19Å; E260-L262 PolarHBondContact O-N 2.85Å
261	E	26.8	Very low	25.6	Very low	167 Å²	167	143.7 Å²	143.7	78%	0.78	76%	0.763	S	S	*	*			trans	-52.7	94.8	165.3	-161	179.7	-178.6	0	0	106.2	D259 V263	D259-E261 VanDerWaalsContact C-N 3.3Å; D259-E261 PolarHBondContact O-N 3.27Å; E261-V263 HydrophobicContact CB-CG2 4.14Å; E261-V263 HydrophobicContact CG-CG2 3.61Å; E261-V263 PolarHBondContact O-N 2.85Å
262	L	23.8	Very low	25.7	Very low	163 Å²	163	141 Å²	141	85%	0.853	76%	0.757	S	S	*	*			trans	-64	77.6	159.2	-83.7	162.2	0	0	0	105.9	E260 I264	E260-L262 PolarHBondContact O-N 2.85Å; L262-I264 VanDerWaalsContact C-N 3.26Å; L262-I264 PolarHBondContact O-N 3.47Å
263	V	25.5	Very low	25.8	Very low	87 Å²	87	139.8 Å²	139.8	53%	0.527	75%	0.754	S	S	.	*			trans	-62.5	99.2	163.9	178.3	0	0	0	0	104.2	E261 K265	E261-V263 HydrophobicContact CB-CG2 4.14Å; E261-V263 HydrophobicContact CG-CG2 3.61Å; E261-V263 PolarHBondContact O-N 2.85Å; V263-K265 HydrophobicContact CG1-CG 4.19Å; V263-K265 PolarHBondContact O-N 3.21Å
264	I	26	Very low	25.9	Very low	156 Å²	156	137.4 Å²	137.4	80%	0.8	76%	0.755	S	S	*	*			trans	-59.3	93.6	161.5	-60.2	175.8	0	0	0	104.7	L262 A266	L262-I264 VanDerWaalsContact C-N 3.26Å; L262-I264 PolarHBondContact O-N 3.47Å; I264-A266 PolarHBondContact O-N 3.42Å
265	K	21.5	Very low	25.9	Very low	160 Å²	160	135.2 Å²	135.2	70%	0.696	76%	0.761	S	S	*	*			trans	-66.3	88.7	169.7	-87.3	-176.9	170.4	176.6	0	107.4	V263 E267	V263-K265 HydrophobicContact CG1-CG 4.19Å; V263-K265 PolarHBondContact O-N 3.21Å; K265-E267 PolarHBondContact O-N 2.83Å
266	A	26.5	Very low	26.1	Very low	96 Å²	96	136.5 Å²	136.5	79%	0.793	77%	0.767	S	S	*	*			trans	-72.8	71	158.3	0	0	0	0	0	108.1	I264	I264-A266 PolarHBondContact O-N 3.42Å
267	E	24.6	Very low	25.9	Very low	164 Å²	164	139.3 Å²	139.3	77%	0.766	77%	0.772	S	S	*	*			trans	-125.9	91.9	171.9	-73.3	-175	159.2	0	0	107.8	K265	K265-E267 PolarHBondContact O-N 2.83Å
268	G	27.4	Very low	25.9	Very low	71 Å²	71	138.9 Å²	138.9	73%	0.732	78%	0.784	S	S	*	*			trans	-170.7	28.6	-177.3	0	0	0	0	0	114.6
269	L	28.8	Very low	25.8	Very low	183 Å²	183	140.1 Å²	140.1	96%	0.958	79%	0.786	S	S	*	*			trans	-148.2	66	160.8	-140.2	83	0	0	0	110.4
270	A	21.7	Very low	25.4	Very low	96 Å²	96	139.4 Å²	139.4	79%	0.793	79%	0.786	S	S	*	*			trans	-111.4	103.2	163.7	0	0	0	0	0	108.3
271	R	24.6	Very low	25.3	Very low	240 Å²	240	136.9 Å²	136.9	91%	0.906	78%	0.784	S	S	*	*			trans	166.6	108.7	142.2	-99.4	176.5	165.2	147.4	-2.4	110.8
272	S	27.8	Very low	25	Very low	105 Å²	105	137.6 Å²	137.6	73%	0.734	79%	0.785	S	S	*	*				161.6	126.2	101	-69.9	0	0	0	0	112.1
273	S	28.4	Very low	25	Very low	104 Å²	104	135.7 Å²	135.7	73%	0.727	79%	0.786	S	S	*	*			trans	72.3	95.9	141.6	-55.4	0	0	0	0	119.9
274	L	25.2	Very low	24.9	Very low	168 Å²	168	136.6 Å²	136.6	88%	0.88	80%	0.796	S	S	*	*				35.8	116	113.1	-67.5	158.3	0	0	0	117.3
275	C	26.5	Very low	25	Very low	129 Å²	129	134.7 Å²	134.7	87%	0.872	79%	0.794	S	S	*	*				-171.7	155.5	124.9	-97.6	0	0	0	0	111.2
276	P	29.3	Very low	25.1	Very low	112 Å²	112	133.3 Å²	133.3	73%	0.727	80%	0.801	S	S	*	*			trans	-102.8	154.3	-138.6	37	-33.6	0	0	0	116.3
277	E	20.2	Very low	24.8	Very low	180 Å²	180	133.3 Å²	133.3	84%	0.841	80%	0.801	S	S	*	*			trans	-10.6	122.7	151	-66.6	-88.5	139.9	0	0	116.8
278	V	26.7	Very low	24.7	Very low	140 Å²	140	130.6 Å²	130.6	85%	0.848	81%	0.807	S	S	*	*			trans	-137.2	135	143.8	-178.8	0	0	0	0	108.9
279	P	23.4	Very low	24.6	Very low	107 Å²	107	131.8 Å²	131.8	70%	0.695	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-89	155.5	-152.8	-11	30.8	0	0	0	116.2
280	V	21.5	Very low	24.3	Very low	127 Å²	127	132.3 Å²	132.3	77%	0.77	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-63.4	134.2	167	-179.3	0	0	0	0	111.6
281	P	24.9	Very low	24.5	Very low	119 Å²	119	135.7 Å²	135.7	77%	0.773	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-95.5	132	153.7	32.7	-24.5	0	0	0	110.9
282	F	20.2	Very low	24.3	Very low	182 Å²	182	128.3 Å²	128.3	80%	0.798	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-54.3	146.3	173.4	-81.7	-105.2	0	0	0	114.1
283	S	24.9	Very low	24.1	Very low	123 Å²	123	133.5 Å²	133.5	86%	0.86	81%	0.809	S	S	*	*				-169.1	115.6	118.5	-80.7	0	0	0	0	111.2
284	S	22.6	Very low	23.7	Very low	106 Å²	106	133.4 Å²	133.4	74%	0.741	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-82.1	165.5	172.4	-53.5	0	0	0	0	111.4
285	P	28.2	Very low	23.5	Very low	116 Å²	116	132.8 Å²	132.8	75%	0.753	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-98.4	166.7	-150.6	38.3	-34.6	0	0	0	114.2
286	P	24	Very low	23.3	Very low	131 Å²	131	133.3 Å²	133.3	85%	0.851	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-82.9	137.1	170.4	32.2	-29.6	0	0	0	111.8
287	A	20.6	Very low	22.8	Very low	96 Å²	96	132.2 Å²	132.2	79%	0.793	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-98.8	163.3	170.3	0	0	0	0	0	111
288	A	22.4	Very low	22.9	Very low	107 Å²	107	132.7 Å²	132.7	88%	0.884	81%	0.805	S	S	*	*			trans	89.5	136.8	178.5	0	0	0	0	0	114.3
289	A	25.5	Very low	22.6	Very low	96 Å²	96	133.9 Å²	133.9	79%	0.793	80%	0.798	S	S	*	*			cis	-148.8	159	21.7	0	0	0	0	0	111.8
290	K	21.3	Very low	22.4	Very low	195 Å²	195	133.5 Å²	133.5	85%	0.848	80%	0.799	S	S	*	*			trans	-64.7	141.4	167	-65.7	167.1	174	175.4	0	109.7
291	D	25.8	Very low	22.8	Very low	166 Å²	166	137 Å²	137	89%	0.888	81%	0.807	S	S	*	*			trans	-155.6	135.5	138.4	-93.1	-35.8	0	0	0	110.9
292	A	21.3	Very low	22.6	Very low	85 Å²	85	140 Å²	140	70%	0.702	81%	0.81	S	S	*	*			trans	-101.9	132.9	178.8	0	0	0	0	0	108.7
293	F	22.7	Very low	22.7	Very low	214 Å²	214	136.3 Å²	136.3	94%	0.939	81%	0.807	S	S	*	*			trans	-144.5	130.5	153.2	-96.9	-78	0	0	0	110.5
294	S	21.1	Very low	22.6	Very low	102 Å²	102	136.5 Å²	136.5	71%	0.713	80%	0.803	S	S	*	*			trans	-89	159.2	176.8	-49.6	0	0	0	0	111.6
295	D	19.5	Very low	22.6	Very low	155 Å²	155	136.8 Å²	136.8	83%	0.829	81%	0.805	S	S	*	*			trans	55.5	123.2	152.8	-80.1	-43.2	0	0	0	120.7
296	V	23.5	Very low	22.4	Very low	140 Å²	140	139.4 Å²	139.4	85%	0.848	81%	0.809	S	S	*	*				175.9	136.3	106.4	157.5	0	0	0	0	109.9
297	A	18.4	Very low	22.5	Very low	89 Å²	89	139 Å²	139	74%	0.736	81%	0.805	S	S	*	*			trans	-66.7	143.4	173.3	0	0	0	0	0	113.9
298	F	22	Very low	22.9	Very low	191 Å²	191	140.3 Å²	140.3	84%	0.838	81%	0.805	S	S	*	*			trans	-146.2	118.6	152	-151.5	-97.7	0	0	0	113.4
299	K	21.1	Very low	23.1	Very low	164 Å²	164	145.9 Å²	145.9	71%	0.713	81%	0.81	S	S	*	*			trans	9.9	122.7	146.8	-96.9	175.4	174.6	173.8	0	120.8
300	S	19	Very low	22.9	Very low	100 Å²	100	144.5 Å²	144.5	70%	0.699	81%	0.805	S	S	*	*				41.8	110.9	123.2	65	0	0	0	0	119.5
301	Q	28.8	Very low	23.2	Very low	201 Å²	201	146.9 Å²	146.9	94%	0.939	81%	0.809	S	S	*	*			trans	-131.9	137.9	143.6	-89.1	-177.7	-38	0	0	110.5
302	Q	22.2	Very low	23.5	Very low	181 Å²	181	144.4 Å²	144.4	85%	0.846	80%	0.802	S	S	*	*			trans	-79.5	156	-176.9	-68.3	165.8	-48.3	0	0	112.1
303	S	22.2	Very low	23.8	Very low	105 Å²	105	145.5 Å²	145.5	73%	0.734	81%	0.811	S	S	*	*			trans	54.9	105	140.3	62.8	0	0	0	0	119.2
304	T	22.6	Very low	23.9	Very low	126 Å²	126	140.7 Å²	140.7	77%	0.773	80%	0.799	S	S	*	*				-142.6	124.2	128.3	47.7	0	0	0	0	109.9
305	S	21.9	Very low	24	Very low	113 Å²	113	142.3 Å²	142.3	79%	0.79	80%	0.8	S	S	*	*			trans	-70.4	127.3	167.7	52.9	0	0	0	0	109.8
306	M	25.3	Very low	24.3	Very low	170 Å²	170	142.5 Å²	142.5	84%	0.837	80%	0.8	S	S	*	*			trans	-108.4	108.1	168.6	-77.6	-72.9	154.2	0	0	108.9
307	T	25.4	Very low	24.8	Very low	123 Å²	123	140.9 Å²	140.9	76%	0.755	79%	0.792	S	S	*	*			trans	-72.7	156	167.7	13.2	0	0	0	0	110.8
308	P	28.9	Very low	25	Very low	124 Å²	124	145.9 Å²	145.9	81%	0.805	80%	0.8	S	S	*	*			trans	-87.2	143	-159.9	-3	22.5	0	0	0	113	G310	P308-G310 PolarHBondContact O-N 3.38Å; P308-G310 VanDerWaalsContact O-N 3.15Å
309	F	27.5	Very low	25.3	Very low	223 Å²	223	141.6 Å²	141.6	98%	0.978	80%	0.8	S	S	*	*			trans	-68.3	104.7	169.9	-85.3	-94.7	0	0	0	110.6
310	G	20	Very low	25.8	Very low	67 Å²	67	139.2 Å²	139.2	69%	0.691	80%	0.804	S	S	*	*			trans	-112.1	127.9	157.4	0	0	0	0	0	109.7	P308	P308-G310 PolarHBondContact O-N 3.38Å; P308-G310 VanDerWaalsContact O-N 3.15Å
311	R	28.6	Very low	26.2	Very low	246 Å²	246	143.7 Å²	143.7	93%	0.928	81%	0.814	S	S	*	*			trans	-153.4	153.7	151.9	-95.7	-157.5	174.5	174.5	-2	110.5
312	P	31.2	Very low	26.2	Very low	114 Å²	114	137.5 Å²	137.5	74%	0.74	80%	0.804	S	S	*	*			trans	-106	158.2	-142.4	38.4	-31.5	0	0	0	113.3
313	A	27.9	Very low	26.3	Very low	108 Å²	108	137 Å²	137	89%	0.893	80%	0.802	S	S	*	*			trans	-121.1	128.1	161.8	0	0	0	0	0	108.8
314	T	24.6	Very low	26.7	Very low	113 Å²	113	138.9 Å²	138.9	69%	0.693	81%	0.808	S	S	*	*			trans	-92.6	138.8	-167	-47.5	0	0	0	0	110.7
315	D	24.3	Very low	26.8	Very low	136 Å²	136	137.5 Å²	137.5	73%	0.727	80%	0.8	S	S	*	*			trans	40.5	137.3	148.7	-58.1	-38.3	0	0	0	124.1
316	L	25.9	Very low	26.9	Very low	159 Å²	159	142 Å²	142	83%	0.832	81%	0.805	S	S	*	*			trans	95.1	141.7	151.5	-70.9	123.3	0	0	0	119.7
317	P	33.3	Very low	27.2	Very low	106 Å²	106	139.6 Å²	139.6	69%	0.688	80%	0.801	S	S	*	*			cis	-134.9	171	-40.3	32.2	-13.3	0	0	0	114.4	A319	P317-A319 PolarHBondContact O-N 3.07Å
318	E	22.8	Very low	27.3	Very low	193 Å²	193	142.2 Å²	142.2	90%	0.902	80%	0.804	S	S	*	*			trans	-32.4	117.3	167.9	-85.2	149.6	121.9	0	0	115.4
319	A	28.4	Very low	27.4	Very low	101 Å²	101	144.9 Å²	144.9	84%	0.835	81%	0.811	S	S	*	*			trans	-101.8	112	151.4	0	0	0	0	0	107.2	P317	P317-A319 PolarHBondContact O-N 3.07Å
320	S	31.5	Very low	27.5	Very low	115 Å²	115	136.9 Å²	136.9	80%	0.804	79%	0.791	S	S	*	*			trans	-58.2	148.8	-174.1	33.9	0	0	0	0	114.2	G322	S320-G322 PolarHBondContact O-N 2.68Å
321	E	26.3	Very low	27.8	Very low	194 Å²	194	139.4 Å²	139.4	91%	0.907	80%	0.798	S	S	*	*			trans	-47.4	102.6	173.3	-60.2	172.4	156.4	0	0	111.5	Q323	E321-Q323 PolarHBondContact O-N 2.77Å
322	G	29.1	Very low	27.9	Very low	70 Å²	70	138.7 Å²	138.7	72%	0.722	80%	0.797	S	S	*	*			trans	-71.9	92.5	166.8	0	0	0	0	0	109.4	S320 V324	S320-G322 PolarHBondContact O-N 2.68Å; G322-V324 PolarHBondContact O-N 3.32Å
323	Q	25.6	Very low	27.8	Very low	171 Å²	171	138.7 Å²	138.7	80%	0.799	80%	0.797	S	S	*	*			trans	-56.1	95.5	168	-174.2	130.2	-18.6	0	0	109.8	E321 T325	E321-Q323 PolarHBondContact O-N 2.77Å; Q323-T325 HydrophobicContact CG-CG2 4.31Å; Q323-T325 PolarHBondContact O-N 3.38Å
324	V	29.2	Very low	27.8	Very low	144 Å²	144	141.6 Å²	141.6	87%	0.873	80%	0.797	S	S	*	*			trans	-77.5	95.4	171.8	-177.1	0	0	0	0	107.4	G322	G322-V324 PolarHBondContact O-N 3.32Å
325	T	26.2	Very low	28	Very low	98 Å²	98	141.6 Å²	141.6	60%	0.601	80%	0.799	S	S	*	*			trans	-64.3	130.7	172.4	38.1	0	0	0	0	110.4	Q323 T327	Q323-T325 HydrophobicContact CG-CG2 4.31Å; Q323-T325 PolarHBondContact O-N 3.38Å; T325-T327 VanDerWaalsContact C-N 3.32Å; T325-T327 PolarHBondContact O-N 3.29Å; T325-T327 PolarHBondContact O-OG1 3.35Å
326	F	23.9	Very low	28.3	Very low	206 Å²	206	140.6 Å²	140.6	90%	0.904	80%	0.8	S	S	*	*			trans	-73.3	82.8	176.4	-165.6	-95.6	0	0	0	109.3	Q328	F326-Q328 PolarHBondContact O-N 3.28Å
327	T	29.9	Very low	28.6	Very low	120 Å²	120	139 Å²	139	74%	0.736	80%	0.799	S	S	*	*			trans	-82.3	114.6	175.7	-21.5	0	0	0	0	109.1	T325 L329	T325-T327 VanDerWaalsContact C-N 3.32Å; T325-T327 PolarHBondContact O-N 3.29Å; T325-T327 PolarHBondContact O-OG1 3.35Å; T327-L329 PolarHBondContact O-N 3.45Å; T327-L329 VanDerWaalsContact O-N 3.17Å
328	Q	28.2	Very low	28.7	Very low	178 Å²	178	140.8 Å²	140.8	83%	0.832	81%	0.808	S	S	*	*			trans	-40.8	113.5	174.5	-68.6	168.1	-28	0	0	112	F326 G330	F326-Q328 PolarHBondContact O-N 3.28Å; Q328-G330 PolarHBondContact O-N 2.92Å
329	L	31.9	Very low	29.2	Very low	181 Å²	181	135.1 Å²	135.1	95%	0.948	80%	0.801	S	S	*	*			trans	-72.5	89.1	162.5	-83.8	165	0	0	0	107.9	T327	T327-L329 PolarHBondContact O-N 3.45Å; T327-L329 VanDerWaalsContact O-N 3.17Å
330	G	27.8	Very low	29.8	Very low	55 Å²	55	138.3 Å²	138.3	57%	0.567	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-59.9	141.2	170.9	0	0	0	0	0	111.9	Q328 Y332	Q328-G330 PolarHBondContact O-N 2.92Å; G330-Y332 PolarHBondContact O-N 3.12Å
331	S	26.7	Very low	30.5	Very low	119 Å²	119	140.1 Å²	140.1	83%	0.832	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-49.1	121.3	174.7	-45.7	0	0	0	0	112.5
332	Y	31.1	Very low	31.9	Very low	231 Å²	231	135.1 Å²	135.1	91%	0.906	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-83.9	120.9	161.5	-90.2	-87.8	0	0	0	109.3	G330	G330-Y332 PolarHBondContact O-N 3.12Å
333	P	28.9	Very low	33.5	Very low	114 Å²	114	135.4 Å²	135.4	74%	0.74	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-86.3	142.5	179.4	19.3	-6.4	0	0	0	111.6
334	L	27.6	Very low	35.4	Very low	170 Å²	170	131 Å²	131	89%	0.89	75%	0.746	S	S	*	*			trans	-114.8	151.5	160.8	-81.7	172.6	0	0	0	110.5
335	P	29.3	Very low	37.3	Very low	112 Å²	112	124.7 Å²	124.7	73%	0.727	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-91.3	169.1	-163.8	5.7	16.1	0	0	0	113.5
336	P	30	Very low	39	Very low	116 Å²	116	129 Å²	129	75%	0.753	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-95.1	151.4	-163.9	36.2	-32.8	0	0	0	114.4
337	P	33.2	Very low	40.8	Very low	125 Å²	125	125.2 Å²	125.2	81%	0.812	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-84.6	122.6	152.6	30.9	-25.7	0	0	0	111.1
338	V	35.3	Very low	42.8	Very low	144 Å²	144	122.2 Å²	122.2	87%	0.873	69%	0.689	S	S	*	*			trans	-11.5	109.7	158.1	-172.8	0	0	0	0	117.2
339	G	34.1	Very low	44.7	Very low	74 Å²	74	116.3 Å²	116.3	76%	0.763	68%	0.677	S	S	*	*			trans	22.7	93.2	141.8	0	0	0	0	0	121
340	E	40.7	Very low	46.5	Very low	168 Å²	168	113.9 Å²	113.9	79%	0.785	66%	0.658	S	S	*	*			trans	-109.5	123.8	139.3	-80.1	-179.4	160.8	0	0	107.5	V342	E340-V342 PolarHBondContact O-N 2.67Å; E340-V342 VanDerWaalsContact O-N 3.13Å
341	Q	44.9	Very low	48.2	Very low	153 Å²	153	116.8 Å²	116.8	72%	0.715	66%	0.661	S	S	*	*			trans	-68.2	110.2	172	-73.4	175.7	16.6	0	0	107.9	F343	Q341-F343 HydrophobicContact CB-CE2 3.82Å; Q341-F343 HydrophobicContact CB-CZ 4.15Å; Q341-F343 WeakPolarHBondContact O-CD2 3.24Å
342	V	56.1	Low	50.6	Low	88 Å²	88	112.2 Å²	112.2	53%	0.533	63%	0.627	S	S	.	*			trans	-88.8	119.2	-179.8	178.4	0	0	0	0	108.7	E340 N351	E340-V342 PolarHBondContact O-N 2.67Å; E340-V342 VanDerWaalsContact O-N 3.13Å; V342-N351 HydrophobicContact CG1-CB 3.2Å; V342-N351 WeakPolarHBondContact CG1-OD1 2.93Å
343	F	64.1	Low	52.5	Low	77 Å²	77	104 Å²	104	34%	0.338	60%	0.604	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-104.2	134.4	176.5	-64	-86.6	0	0	0	110.3	Q341 N351 L352 Q354 L357	Q341-F343 HydrophobicContact CB-CE2 3.82Å; Q341-F343 HydrophobicContact CB-CZ 4.15Å; Q341-F343 WeakPolarHBondContact O-CD2 3.24Å; F343-N351 CarbonylContact O-C 3.52Å; F343-L352 PolarHBondContact N-O 3Å; F343-L352 PolarHBondContact O-N 3.15Å; F343-Q354 HydrophobicContact CD2-CB 4.49Å; F343-Q354 HydrophobicContact CE2-CB 4.33Å; F343-L357 HydrophobicContact CB-CD2 4.25Å
344	S	64.8	Low	54.4	Low	78 Å²	78	104.7 Å²	104.7	55%	0.545	60%	0.597	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-99.1	137.2	-176.4	55.1	0	0	0	0	113.2	K350	S344-K350 CarbonylContact C-O 3.44Å; S344-K350 VanDerWaalsContact CA-O 3.28Å; S344-K350 WeakPolarHBondContact CA-O 3.36Å
345	C	68.2	Low	56.2	Low	12 Å²	12	103 Å²	103	8%	0.081	59%	0.589	C	S	.	*			trans	-73.6	125.7	173.6	174.1	0	0	0	0	111.2	H347 G349 K350 L352 H360	C345-H347 PolarHBondContact O-N 3.14Å; C345-H347 PolarHBondContact SG-N 3.37Å; C345-H347 VanDerWaalsContact SG-N 3.42Å; C345-G349 VanDerWaalsContact O-CA 3.24Å; C345-G349 WeakPolarHBondContact O-CA 3.37Å; C345-G349 PolarHBondContact O-N 3.13Å; C345-K350 PolarHBondContact N-O 3.42Å; C345-L352 HydrophobicContact CB-CD1 4.25Å; C345-H360 VanDerWaalsContact SG-CD2 3.5Å; C345-H360 PolarHBondContact SG-NE2 3.38Å; C345-H360 VanDerWaalsContact SG-NE2 3.39Å
346	H	63.4	Low	58	Low	189 Å²	189	102.2 Å²	102.2	88%	0.875	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.9	-20.3	-179.2	-134.9	69.1	0	0	0	114.2
347	H	60	Low	60.1	Low	126 Å²	126	100.1 Å²	100.1	58%	0.583	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.9	-22.8	-175.2	-70.9	5.9	0	0	0	114	C345 C362 H364	C345-H347 PolarHBondContact O-N 3.14Å; C345-H347 PolarHBondContact SG-N 3.37Å; C345-H347 VanDerWaalsContact SG-N 3.42Å; H347-C362 HydrophobicContact CB-CB 4.19Å; H347-C362 WeakPolarHBondContact CB-SG 3.46Å; H347-H364 PolarHBondContact CD2-O 2.92Å
348	C	73.2	Confident	61.8	Low	56 Å²	56	101.3 Å²	101.3	38%	0.378	56%	0.557	S	S	.	*	T	Hydrogen-bonded Turn	trans	-132.8	-0.7	179	72.5	0	0	0	0	114.9	K350 H360	C348-K350 PolarHBondContact O-N 3.43Å; C348-H360 PolarHBondContact SG-NE2 3.2Å
349	G	66.6	Low	63.1	Low	55 Å²	55	99.1 Å²	99.1	57%	0.567	55%	0.545	S	S	*	.			trans	70.1	4.6	178.4	0	0	0	0	0	115.7	C345	C345-G349 VanDerWaalsContact O-CA 3.24Å; C345-G349 WeakPolarHBondContact O-CA 3.37Å; C345-G349 PolarHBondContact O-N 3.13Å
350	K	70.8	Confident	64.7	Low	129 Å²	129	97.7 Å²	97.7	56%	0.561	52%	0.518	S	S	*	.			trans	-73.2	133.8	-178.3	-71.5	-179	-177.1	175.6	0	112.4	S344 C345 C348 L352	S344-K350 CarbonylContact C-O 3.44Å; S344-K350 VanDerWaalsContact CA-O 3.28Å; S344-K350 WeakPolarHBondContact CA-O 3.36Å; C345-K350 PolarHBondContact N-O 3.42Å; C348-K350 PolarHBondContact O-N 3.43Å; K350-L352 HydrophobicContact CB-CG 4.4Å
351	N	63.3	Low	65.3	Low	116 Å²	116	98.7 Å²	98.7	62%	0.62	52%	0.523	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.1	121.5	172.4	-83.6	-25.5	0	0	0	110.5	V342 F343	V342-N351 HydrophobicContact CG1-CB 3.2Å; V342-N351 WeakPolarHBondContact CG1-OD1 2.93Å; F343-N351 CarbonylContact O-C 3.52Å
352	L	76.2	Confident	65.9	Low	23 Å²	23	92.2 Å²	92.2	12%	0.12	49%	0.494	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	150.6	-167.2	-65.9	164.4	0	0	0	110.9	F343 C345 K350 M356 L357 H360	F343-L352 PolarHBondContact N-O 3Å; F343-L352 PolarHBondContact O-N 3.15Å; C345-L352 HydrophobicContact CB-CD1 4.25Å; K350-L352 HydrophobicContact CB-CG 4.4Å; L352-M356 HydrophobicContact CB-CB 4.23Å; L352-M356 HydrophobicContact CD2-CB 4.19Å; L352-M356 HydrophobicContact CD2-CG 4.3Å; L352-M356 HydrophobicContact CD2-SD 4.21Å; L352-L357 HydrophobicContact CD1-CD1 4.34Å; L352-H360 HydrophobicContact CD1-CB 3.78Å
353	S	71.8	Confident	65.3	Low	60 Å²	60	93.6 Å²	93.6	42%	0.42	51%	0.508	S	S	.	.			trans	-76.1	159.7	168.1	63	0	0	0	0	110.8	D355 M356 L357	S353-D355 PolarHBondContact O-N 2.95Å; S353-M356 CarbonylContact O-C 3.52Å; S353-M356 WeakPolarHBondContact O-CA 3.49Å; S353-M356 WeakPolarHBondContact O-CB 3.43Å; S353-M356 PolarHBondContact O-N 3.17Å; S353-L357 PolarHBondContact O-N 3.41Å
354	Q	68	Low	64.3	Low	127 Å²	127	96.5 Å²	96.5	59%	0.593	52%	0.522	S	S	*	.	H	α-helix	trans	-57.5	-42.1	-173.7	-175.9	172.5	-15.9	0	0	113.7	F343 M356 L357 L358	F343-Q354 HydrophobicContact CD2-CB 4.49Å; F343-Q354 HydrophobicContact CE2-CB 4.33Å; Q354-M356 VanDerWaalsContact C-N 3.28Å; Q354-M356 PolarHBondContact O-N 3.34Å; Q354-L357 PolarHBondContact O-N 2.81Å; Q354-L358 PolarHBondContact O-N 3.43Å
355	D	65.4	Low	63	Low	136 Å²	136	96.1 Å²	96.1	73%	0.727	52%	0.524	S	S	*	.	H	α-helix	trans	-66.4	-32.9	175.3	-78.8	-10.2	0	0	0	112.2	S353 T359	S353-D355 PolarHBondContact O-N 2.95Å; D355-T359 PolarHBondContact O-N 3.07Å; D355-T359 PolarHBondContact O-OG1 3.42Å
356	M	68.5	Low	61.2	Low	94 Å²	94	101.3 Å²	101.3	46%	0.463	56%	0.555	S	S	.	*	H	α-helix	trans	-72.2	-34	175.6	-120.6	-62.1	-163.5	0	0	111.4	L352 S353 Q354 T359 H360	L352-M356 HydrophobicContact CB-CB 4.23Å; L352-M356 HydrophobicContact CD2-CB 4.19Å; L352-M356 HydrophobicContact CD2-CG 4.3Å; L352-M356 HydrophobicContact CD2-SD 4.21Å; S353-M356 CarbonylContact O-C 3.52Å; S353-M356 WeakPolarHBondContact O-CA 3.49Å; S353-M356 WeakPolarHBondContact O-CB 3.43Å; S353-M356 PolarHBondContact O-N 3.17Å; Q354-M356 VanDerWaalsContact C-N 3.28Å; Q354-M356 PolarHBondContact O-N 3.34Å; M356-T359 CarbonylContact O-C 3.59Å; M356-T359 PolarHBondContact O-N 2.88Å; M356-T359 PolarHBondContact O-OG1 3Å; M356-H360 WeakPolarHBondContact O-CA 3.43Å; M356-H360 WeakPolarHBondContact O-CB 3.48Å; M356-H360 PolarHBondContact O-N 3.46Å
357	L	73	Confident	59.5	Low	73 Å²	73	99.6 Å²	99.6	38%	0.382	55%	0.547	S	S	.	.	H	α-helix	trans	-65.6	-39.4	176.6	-172.1	67.6	0	0	0	112	F343 L352 S353 Q354 T359 H360	F343-L357 HydrophobicContact CB-CD2 4.25Å; L352-L357 HydrophobicContact CD1-CD1 4.34Å; S353-L357 PolarHBondContact O-N 3.41Å; Q354-L357 PolarHBondContact O-N 2.81Å; L357-T359 PolarHBondContact O-N 3.4Å; L357-H360 PolarHBondContact O-N 2.88Å
358	L	69.8	Low	58	Low	149 Å²	149	101.3 Å²	101.3	78%	0.78	56%	0.555	S	S	*	*	H	α-helix	trans	-65	-23.7	175.6	-103.2	75.4	0	0	0	113.1	Q354	Q354-L358 PolarHBondContact O-N 3.43Å
359	T	62.6	Low	56.6	Low	99 Å²	99	103.5 Å²	103.5	61%	0.607	57%	0.569	S	S	*	*	H	α-helix	trans	-107.9	1.9	179.7	53.8	0	0	0	0	113	D355 M356 L357 Q361	D355-T359 PolarHBondContact O-N 3.07Å; D355-T359 PolarHBondContact O-OG1 3.42Å; M356-T359 CarbonylContact O-C 3.59Å; M356-T359 PolarHBondContact O-N 2.88Å; M356-T359 PolarHBondContact O-OG1 3Å; L357-T359 PolarHBondContact O-N 3.4Å; T359-Q361 PolarHBondContact O-N 2.89Å
360	H	68.2	Low	54.7	Low	44 Å²	44	108.9 Å²	108.9	20%	0.204	58%	0.584	C	S	.	*			trans	-77.3	94.5	-174.4	-176.5	54.3	0	0	0	111	C345 C348 L352 M356 L357 C362	C345-H360 VanDerWaalsContact SG-CD2 3.5Å; C345-H360 PolarHBondContact SG-NE2 3.38Å; C345-H360 VanDerWaalsContact SG-NE2 3.39Å; C348-H360 PolarHBondContact SG-NE2 3.2Å; L352-H360 HydrophobicContact CD1-CB 3.78Å; M356-H360 WeakPolarHBondContact O-CA 3.43Å; M356-H360 WeakPolarHBondContact O-CB 3.48Å; M356-H360 PolarHBondContact O-N 3.46Å; L357-H360 PolarHBondContact O-N 2.88Å; H360-C362 PolarHBondContact O-N 3.41Å
361	Q	53.1	Low	53.1	Low	188 Å²	188	106.7 Å²	106.7	88%	0.879	58%	0.583	S	S	*	*			trans	-77.1	102.7	165.9	-68.8	178.6	9.3	0	0	109	T359	T359-Q361 PolarHBondContact O-N 2.89Å
362	C	56.4	Low	51.6	Low	17 Å²	17	104.5 Å²	104.5	12%	0.115	58%	0.576	C	S	.	*			trans	-79.1	128.7	168.7	-162	0	0	0	0	108.4	H347 H360 H364 A365	H347-C362 HydrophobicContact CB-CB 4.19Å; H347-C362 WeakPolarHBondContact CB-SG 3.46Å; H360-C362 PolarHBondContact O-N 3.41Å; C362-H364 CarbonylContact O-C 3.53Å; C362-H364 PolarHBondContact O-N 2.8Å; C362-A365 PolarHBondContact O-N 3.37Å
363	S	44.1	Very low	50.1	Low	117 Å²	117	108.2 Å²	108.2	82%	0.818	61%	0.61	S	S	*	*	S	Bend	trans	-72.6	17.7	-179.6	57.4	0	0	0	0	114.3
364	H	44	Very low	48.4	Very low	139 Å²	139	113.1 Å²	113.1	64%	0.644	63%	0.626	S	S	*	*			trans	-117.6	71	159.7	-67.6	-69	0	0	0	108	H347 C362	H347-H364 PolarHBondContact CD2-O 2.92Å; C362-H364 CarbonylContact O-C 3.53Å; C362-H364 PolarHBondContact O-N 2.8Å
365	A	36.6	Very low	46.6	Very low	70 Å²	70	111 Å²	111	58%	0.579	62%	0.624	S	S	*	*			trans	-134.9	113.5	166.5	0	0	0	0	0	108.7	C362	C362-A365 PolarHBondContact O-N 3.37Å
366	T	30.9	Very low	45.5	Very low	121 Å²	121	109.7 Å²	109.7	74%	0.742	62%	0.623	S	S	*	*			trans	75.9	104	159.8	61.1	0	0	0	0	116.8
367	E	26.4	Very low	43.6	Very low	152 Å²	152	114.9 Å²	114.9	71%	0.71	64%	0.643	S	S	*	*				67.4	105.7	59.9	-61.4	-176.5	156.2	0	0	111.2
368	H	29.9	Very low	41.5	Very low	162 Å²	162	119.3 Å²	119.3	75%	0.75	66%	0.662	S	S	*	*				148.1	178	82.6	-86.7	-40.8	0	0	0	106.9
369	P	43.2	Very low	39.4	Very low	102 Å²	102	122.2 Å²	122.2	66%	0.662	67%	0.668	S	S	*	*			cis	-136.1	158.2	-35.2	35.8	-17.4	0	0	0	114.9
370	L	27.6	Very low	37.7	Very low	168 Å²	168	122.9 Å²	122.9	88%	0.88	67%	0.673	S	S	*	*			trans	63.9	154.4	143.1	-71.2	170.9	0	0	0	122.5
371	P	35.9	Very low	35.8	Very low	83 Å²	83	126.5 Å²	126.5	54%	0.539	70%	0.7	S	S	.	*			trans	-98.5	145.6	-145.8	36.8	-33.5	0	0	0	116.1	P209	P209-P371 HydrophobicContact CG-CB 3.48Å; P209-P371 VanDerWaalsContact CG-CB 3.48Å
372	C	32.1	Very low	34.6	Very low	70 Å²	70	127.2 Å²	127.2	47%	0.473	70%	0.703	S	S	.	*			trans	-93.5	110.1	165.8	-170.5	0	0	0	0	116.1	P209 Q374	P209-C372 HydrophobicContact CB-CB 4.39Å; P209-C372 WeakPolarHBondContact CB-O 3.47Å; P209-C372 VanDerWaalsContact CG-C 3.4Å; P209-C372 VanDerWaalsContact CG-N 3.28Å; P209-C372 WeakPolarHBondContact CG-O 3.48Å; C372-Q374 VanDerWaalsContact C-N 3.29Å; C372-Q374 PolarHBondContact O-N 3.45Å; C372-Q374 VanDerWaalsContact O-N 3.09Å
373	A	44.4	Very low	33.2	Very low	101 Å²	101	129.9 Å²	129.9	84%	0.835	73%	0.726	S	S	*	*			trans	-79.9	39.2	179.1	0	0	0	0	0	115.3
374	Q	36.5	Very low	32.3	Very low	164 Å²	164	130.8 Å²	130.8	77%	0.766	72%	0.722	S	S	*	*			trans	-142.5	31.5	-175.5	-67.9	-170.7	4.5	0	0	116.8	C372 P376	C372-Q374 VanDerWaalsContact C-N 3.29Å; C372-Q374 PolarHBondContact O-N 3.45Å; C372-Q374 VanDerWaalsContact O-N 3.09Å; Q374-P376 WeakPolarHBondContact O-CD 3.44Å
375	C	30.9	Very low	31.9	Very low	82 Å²	82	133 Å²	133	55%	0.554	74%	0.738	S	S	*	*			trans	-102.5	88.3	165.7	-75.2	0	0	0	0	112.5	E210	E210-C375 WeakPolarHBondContact OE2-CB 3.43Å; E210-C375 PolarHBondContact OE2-SG 3.16Å
376	P	41.1	Very low	31.2	Very low	109 Å²	109	134 Å²	134	71%	0.708	74%	0.74	S	S	*	*			trans	-92	107.9	167.9	33.6	-29.8	0	0	0	110.1	Q374	Q374-P376 WeakPolarHBondContact O-CD 3.44Å
377	K	29.5	Very low	31	Very low	202 Å²	202	133.4 Å²	133.4	88%	0.878	74%	0.741	S	S	*	*			trans	176.6	118.5	136	-95.6	157.3	-171.6	-178.7	0	112.5
378	H	27.7	Very low	31.1	Very low	167 Å²	167	131.8 Å²	131.8	77%	0.773	74%	0.742	S	S	*	*			trans	-38.8	140.6	166.2	-63.2	-95.2	0	0	0	116.3
379	F	26.6	Very low	31	Very low	209 Å²	209	129.3 Å²	129.3	92%	0.917	74%	0.743	S	S	*	*				-115.1	117.8	128.5	-82.4	-84.6	0	0	0	107.7
380	T	26.9	Very low	30.4	Very low	114 Å²	114	132.5 Å²	132.5	70%	0.699	75%	0.749	S	S	*	*			trans	-65	131.5	178.9	38.3	0	0	0	0	111.1
381	P	29.2	Very low	30.7	Very low	120 Å²	120	132 Å²	132	78%	0.779	75%	0.747	S	S	*	*			trans	-68.8	130.2	172.6	-12.8	27.4	0	0	0	110.3	A383	P381-A383 VanDerWaalsContact C-N 3.26Å; P381-A383 PolarHBondContact O-N 3.41Å
382	Q	27.4	Very low	30.7	Very low	202 Å²	202	135.1 Å²	135.1	94%	0.944	75%	0.754	S	S	*	*			trans	-71.1	94.7	158.4	-86.1	-161.3	-46	0	0	107.8
383	A	26.9	Very low	30.8	Very low	73 Å²	73	135.8 Å²	135.8	60%	0.603	77%	0.765	S	S	*	*			trans	-65.8	152.4	150.9	0	0	0	0	0	109.9	P381	P381-A383 VanDerWaalsContact C-N 3.26Å; P381-A383 PolarHBondContact O-N 3.41Å
384	D	24.7	Very low	30.5	Very low	136 Å²	136	136.5 Å²	136.5	73%	0.727	76%	0.763	S	S	*	*			trans	78.2	79.9	157.4	-54.1	-30.4	0	0	0	118.9
385	L	35.2	Very low	31.1	Very low	185 Å²	185	137.3 Å²	137.3	97%	0.969	77%	0.767	S	S	*	*				-131.4	80	125.8	-86.6	170	0	0	0	109.1
386	S	22.8	Very low	32.4	Very low	91 Å²	91	139.4 Å²	139.4	64%	0.636	78%	0.778	S	S	*	*			trans	-82.2	135	156.2	48.2	0	0	0	0	109.2
387	S	25.9	Very low	33.6	Very low	109 Å²	109	137.6 Å²	137.6	76%	0.762	77%	0.766	S	S	*	*			trans	130	125.5	145.3	-54.8	0	0	0	0	115.6
388	T	28.9	Very low	35.8	Very low	119 Å²	119	129.7 Å²	129.7	73%	0.73	74%	0.735	S	S	*	*			trans	99.9	83.7	152.4	-45.7	0	0	0	0	116.9
389	S	28.7	Very low	38.2	Very low	110 Å²	110	125.3 Å²	125.3	77%	0.769	72%	0.72	S	S	*	*				12.5	112.3	125.8	27.3	0	0	0	0	117.1
390	Q	30.7	Very low	40.8	Very low	168 Å²	168	115.4 Å²	115.4	79%	0.785	68%	0.677	S	S	*	*			trans	-150	114.5	152.6	-112.9	171.5	-13.8	0	0	110.6	H392	Q390-H392 PolarHBondContact O-N 3.1Å
391	D	32.9	Very low	43.1	Very low	157 Å²	157	115.1 Å²	115.1	84%	0.84	68%	0.677	S	S	*	*			trans	-44.8	115.1	153	-78.1	-59	0	0	0	110.2
392	H	35.8	Very low	45.2	Very low	150 Å²	150	115.7 Å²	115.7	69%	0.694	67%	0.669	S	S	*	*			trans	-161.1	110.7	153.4	-81.9	-45.8	0	0	0	108.6	Q390	Q390-H392 PolarHBondContact O-N 3.1Å
393	A	34.8	Very low	47.6	Very low	83 Å²	83	107.7 Å²	107.7	69%	0.686	64%	0.635	S	S	*	*	S	Bend		59.1	108.1	100.5	0	0	0	0	0	113.8
394	S	38.3	Very low	49.9	Very low	116 Å²	116	107.9 Å²	107.9	81%	0.811	64%	0.637	S	S	*	*			trans	54.4	71.3	169.7	59.3	0	0	0	0	115.2	T396	S394-T396 PolarHBondContact O-N 3.4Å; S394-T396 VanDerWaalsContact O-N 3.13Å
395	E	48.3	Very low	52.2	Low	182 Å²	182	106.2 Å²	106.2	85%	0.85	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-53.3	121.1	164.6	-68.8	-173	164.8	0	0	109.5	P397	E395-P397 WeakPolarHBondContact O-CD 3.4Å; E395-P397 VanDerWaalsContact O-N 3.15Å
396	T	57.5	Low	54.2	Low	125 Å²	125	101.4 Å²	101.4	77%	0.767	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-56.7	121.3	175.6	45.7	0	0	0	0	108.5	S394	S394-T396 PolarHBondContact O-N 3.4Å; S394-T396 VanDerWaalsContact O-N 3.13Å
397	P	66.1	Low	56.6	Low	71 Å²	71	98.7 Å²	98.7	46%	0.461	58%	0.576	S	S	.	*	P	Polyproline II helix	trans	-57.7	137.2	-172.7	17.5	-30.1	0	0	0	111.1	E395 T399 T406	E395-P397 WeakPolarHBondContact O-CD 3.4Å; E395-P397 VanDerWaalsContact O-N 3.15Å; P397-T399 PolarHBondContact O-N 3.48Å; P397-T399 VanDerWaalsContact O-N 3.07Å; P397-T406 HydrophobicContact CB-CG2 3.37Å; P397-T406 HydrophobicContact CG-CG2 3.31Å; P397-T406 WeakPolarHBondContact O-CG2 3.4Å
398	P	77.7	Confident	59	Low	36 Å²	36	100 Å²	100	23%	0.234	58%	0.579	C	S	.	*			trans	-57	115.9	-167.8	18.1	-31.4	0	0	0	111	F407 P410 L413	P398-F407 WeakPolarHBondContact CD-O 3.37Å; P398-F407 HydrophobicContact CG-CB 4.42Å; P398-F407 WeakPolarHBondContact CG-O 2.94Å; P398-F407 PolarHBondContact O-N 3.26Å; P398-P410 HydrophobicContact CG-CG 4.21Å; P398-L413 HydrophobicContact CB-CB 4.41Å; P398-L413 HydrophobicContact CB-CD2 3.92Å
399	T	76.5	Confident	61.3	Low	75 Å²	75	99.3 Å²	99.3	46%	0.46	57%	0.567	S	S	.	*	B	Isolated β-bridge	trans	-100.4	141.9	-177.7	40.3	0	0	0	0	111	P397 R405 T406	P397-T399 PolarHBondContact O-N 3.48Å; P397-T399 VanDerWaalsContact O-N 3.07Å; T399-R405 CarbonylContact C-O 3.53Å; T399-R405 VanDerWaalsContact CA-O 3.27Å; T399-R405 WeakPolarHBondContact CA-O 3.45Å; T399-T406 HydrophobicContact CG2-CG2 3.78Å; T399-T406 WeakPolarHBondContact CG2-OG1 3.15Å
400	C	80.8	Confident	63.7	Low	2 Å²	2	97.7 Å²	97.7	1%	0.014	55%	0.554	C	S	.	*			trans	-74.4	125.4	174.2	178.6	0	0	0	0	110.7	H402 C403 A404 R405 F407 L413 H416 H420	C400-H402 PolarHBondContact O-N 3.28Å; C400-H402 PolarHBondContact SG-N 3.07Å; C400-H402 VanDerWaalsContact SG-N 3.43Å; C400-C403 PolarHBondContact O-N 3.13Å; C400-A404 WeakPolarHBondContact O-CA 3.4Å; C400-A404 PolarHBondContact O-N 3.29Å; C400-R405 PolarHBondContact N-O 2.95Å; C400-F407 HydrophobicContact CB-CE2 3.88Å; C400-L413 VanDerWaalsContact CA-CD1 3.47Å; C400-L413 HydrophobicContact CB-CD1 3.6Å; C400-H416 VanDerWaalsContact CB-CD2 3.48Å; C400-H416 WeakPolarHBondContact CB-CD2 3.45Å; C400-H416 WeakPolarHBondContact CB-NE2 3.48Å; C400-H416 VanDerWaalsContact SG-CD2 3.53Å; C400-H416 PolarHBondContact SG-NE2 3.14Å; C400-H420 PolarHBondContact SG-CD2 2.98Å; C400-H420 PolarHBondContact SG-NE2 3.09Å
401	P	77	Confident	65.9	Low	108 Å²	108	92.9 Å²	92.9	70%	0.701	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-26.2	179.1	25.8	-34.2	0	0	0	112.9	L417	P401-L417 HydrophobicContact CG-CD2 4.47Å
402	H	72.4	Confident	67.8	Low	132 Å²	132	93.2 Å²	93.2	61%	0.611	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-21.4	-175.6	-61.8	-67	0	0	0	114.8	C400 H420	C400-H402 PolarHBondContact O-N 3.28Å; C400-H402 PolarHBondContact SG-N 3.07Å; C400-H402 VanDerWaalsContact SG-N 3.43Å; H402-H420 WeakPolarHBondContact CB-CE1 3.49Å; H402-H420 VanDerWaalsContact CB-ND1 3.29Å; H402-H420 WeakPolarHBondContact CB-ND1 3.49Å; H402-H420 AromaticContact CD2-CD2 3.94Å; H402-H420 AromaticContact CD2-CG 3.65Å; H402-H420 AromaticContact CG-CG 3.85Å; H402-H420 AromaticContact CG-ND1 3.86Å
403	C	77.7	Confident	69.8	Low	34 Å²	34	87.3 Å²	87.3	23%	0.23	50%	0.502	C	S	.	.	T	Hydrogen-bonded Turn	trans	-139.6	7.7	-179.6	70.2	0	0	0	0	114.8	C400 R405 H416 P433	C400-C403 PolarHBondContact O-N 3.13Å; C403-R405 PolarHBondContact O-N 3.36Å; C403-R405 VanDerWaalsContact SG-CG 3.59Å; C403-H416 VanDerWaalsContact SG-CE1 3.56Å; C403-H416 PolarHBondContact SG-NE2 3.34Å; C403-P433 HydrophobicContact CB-CB 4.18Å
404	A	75.8	Confident	71.7	Confident	77 Å²	77	87.8 Å²	87.8	64%	0.636	50%	0.497	S	S	*	.			trans	55.2	15.6	-178.8	0	0	0	0	0	115.1	C400 T406	C400-A404 WeakPolarHBondContact O-CA 3.4Å; C400-A404 PolarHBondContact O-N 3.29Å; A404-T406 PolarHBondContact O-N 2.93Å
405	R	73.4	Confident	73.3	Confident	101 Å²	101	87.7 Å²	87.7	38%	0.381	48%	0.479	S	S	.	.			trans	-70.5	130.1	175.9	-79.5	-177.6	173.1	178.7	-1.1	110.6	T399 C400 C403 F407	T399-R405 CarbonylContact C-O 3.53Å; T399-R405 VanDerWaalsContact CA-O 3.27Å; T399-R405 WeakPolarHBondContact CA-O 3.45Å; C400-R405 PolarHBondContact N-O 2.95Å; C403-R405 PolarHBondContact O-N 3.36Å; C403-R405 VanDerWaalsContact SG-CG 3.59Å; R405-F407 HydrophobicContact CB-CE2 3.6Å; R405-F407 HydrophobicContact CB-CZ 3.78Å; R405-F407 VanDerWaalsContact O-CD2 3.25Å; R405-F407 WeakPolarHBondContact O-CD2 3.49Å; R405-F407 WeakPolarHBondContact O-CE2 3.39Å
406	T	75.8	Confident	74.4	Confident	83 Å²	83	79.5 Å²	79.5	51%	0.509	44%	0.441	S	S	.	.	B	Isolated β-bridge	trans	-88.1	127.1	176.4	-36	0	0	0	0	110.6	P397 T399 A404	P397-T406 HydrophobicContact CB-CG2 3.37Å; P397-T406 HydrophobicContact CG-CG2 3.31Å; P397-T406 WeakPolarHBondContact O-CG2 3.4Å; T399-T406 HydrophobicContact CG2-CG2 3.78Å; T399-T406 WeakPolarHBondContact CG2-OG1 3.15Å; A404-T406 PolarHBondContact O-N 2.93Å
407	F	73.7	Confident	75.2	Confident	35 Å²	35	76.5 Å²	76.5	15%	0.154	42%	0.42	C	S	.	.			trans	-105.7	149	178.4	-66.3	-86.2	0	0	0	110.2	P398 C400 R405 H409 R412 L413 H416	P398-F407 WeakPolarHBondContact CD-O 3.37Å; P398-F407 HydrophobicContact CG-CB 4.42Å; P398-F407 WeakPolarHBondContact CG-O 2.94Å; P398-F407 PolarHBondContact O-N 3.26Å; C400-F407 HydrophobicContact CB-CE2 3.88Å; R405-F407 HydrophobicContact CB-CE2 3.6Å; R405-F407 HydrophobicContact CB-CZ 3.78Å; R405-F407 VanDerWaalsContact O-CD2 3.25Å; R405-F407 WeakPolarHBondContact O-CD2 3.49Å; R405-F407 WeakPolarHBondContact O-CE2 3.39Å; F407-H409 PolarHBondContact O-N 3.47Å; F407-R412 HydrophobicContact CB-CB 4.2Å; F407-R412 HydrophobicContact CD1-CB 3.94Å; F407-R412 HydrophobicContact CG-CB 4.42Å; F407-L413 HydrophobicContact CB-CB 4.16Å; F407-L413 HydrophobicContact CD2-CB 3.92Å; F407-L413 HydrophobicContact CD2-CD1 3.78Å; F407-L413 HydrophobicContact CD2-CG 4.44Å; F407-L413 HydrophobicContact CE2-CD1 3.99Å; F407-L413 HydrophobicContact CG-CB 4.09Å; F407-H416 HydrophobicContact CD1-CB 4.3Å; F407-H416 HydrophobicContact CE1-CB 3.52Å; F407-H416 AromaticContact CE1-CG 3.69Å; F407-H416 HydrophobicContact CE2-CB 3.96Å; F407-H416 AromaticContact CE2-CD2 3.23Å; F407-H416 WeakPolarHBondContact CE2-CD2 3.39Å; F407-H416 AromaticContact CE2-CG 3.58Å; F407-H416 AromaticContact CE2-NE2 3.81Å; F407-H416 HydrophobicContact CZ-CB 3.36Å; F407-H416 AromaticContact CZ-CD2 3.17Å; F407-H416 WeakPolarHBondContact CZ-CD2 3.47Å; F407-H416 AromaticContact CZ-CE1 3.87Å; F407-H416 AromaticContact CZ-CG 3Å; F407-H416 AromaticContact CZ-ND1 3.5Å; F407-H416 AromaticContact CZ-NE2 3.67Å
408	T	76.6	Confident	75.5	Confident	135 Å²	135	78.9 Å²	78.9	83%	0.828	42%	0.42	S	S	*	.	S	Bend	trans	-74.5	-15.6	178.4	56.8	0	0	0	0	112.9
409	H	76.7	Confident	74.9	Confident	106 Å²	106	78.1 Å²	78.1	49%	0.491	41%	0.414	S	S	.	.	S	Bend	trans	-153.4	143.8	-176.6	-160.8	-95.7	0	0	0	110.8	F407 S411 R412 L413	F407-H409 PolarHBondContact O-N 3.47Å; H409-S411 VanDerWaalsContact C-N 3.3Å; H409-S411 PolarHBondContact ND1-N 3.12Å; H409-S411 PolarHBondContact ND1-OG 2.97Å; H409-S411 PolarHBondContact O-N 2.83Å; H409-R412 HydrophobicContact CB-CG 4.33Å; H409-R412 WeakPolarHBondContact O-CB 3.49Å; H409-R412 PolarHBondContact O-N 2.85Å; H409-L413 PolarHBondContact O-N 3.3Å
410	P	80.4	Confident	74.4	Confident	76 Å²	76	76.7 Å²	76.7	49%	0.494	40%	0.402	S	S	.	.	H	α-helix	trans	-55.2	-40	178.6	-28.3	35.6	0	0	0	113.7	P398 R412 L413 T414	P398-P410 HydrophobicContact CG-CG 4.21Å; P410-R412 VanDerWaalsContact C-N 3.26Å; P410-R412 PolarHBondContact O-N 3.08Å; P410-L413 CarbonylContact O-C 3.53Å; P410-L413 WeakPolarHBondContact O-CA 3.4Å; P410-L413 VanDerWaalsContact O-CB 3.27Å; P410-L413 WeakPolarHBondContact O-CB 3.23Å; P410-L413 PolarHBondContact O-N 3.04Å; P410-T414 PolarHBondContact O-N 3.45Å; P410-T414 PolarHBondContact O-OG1 3.11Å; P410-T414 VanDerWaalsContact O-OG1 3.07Å
411	S	75.8	Confident	73.8	Confident	67 Å²	67	80.6 Å²	80.6	47%	0.469	42%	0.423	S	S	.	.	H	α-helix	trans	-62.5	-30.1	177.1	62.4	0	0	0	0	114.1	H409 T414 Y415	H409-S411 VanDerWaalsContact C-N 3.3Å; H409-S411 PolarHBondContact ND1-N 3.12Å; H409-S411 PolarHBondContact ND1-OG 2.97Å; H409-S411 PolarHBondContact O-N 2.83Å; S411-T414 PolarHBondContact O-N 3.36Å; S411-Y415 PolarHBondContact O-N 3.1Å
412	R	73.3	Confident	73	Confident	164 Å²	164	78.5 Å²	78.5	62%	0.619	41%	0.411	S	S	*	.	H	α-helix	trans	-72.6	-34.9	173.2	-68.2	-69	-170.6	138.1	-1.9	111	F407 H409 P410 H416	F407-R412 HydrophobicContact CB-CB 4.2Å; F407-R412 HydrophobicContact CD1-CB 3.94Å; F407-R412 HydrophobicContact CG-CB 4.42Å; H409-R412 HydrophobicContact CB-CG 4.33Å; H409-R412 WeakPolarHBondContact O-CB 3.49Å; H409-R412 PolarHBondContact O-N 2.85Å; P410-R412 VanDerWaalsContact C-N 3.26Å; P410-R412 PolarHBondContact O-N 3.08Å; R412-H416 WeakPolarHBondContact O-CB 3.28Å; R412-H416 PolarHBondContact O-N 3.18Å
413	L	76.9	Confident	72.5	Confident	25 Å²	25	77.5 Å²	77.5	13%	0.131	41%	0.414	C	S	.	.	H	α-helix	trans	-63	-47.4	168.4	172.4	61.2	0	0	0	110	P398 C400 F407 H409 P410 Y415 H416 L417	P398-L413 HydrophobicContact CB-CB 4.41Å; P398-L413 HydrophobicContact CB-CD2 3.92Å; C400-L413 VanDerWaalsContact CA-CD1 3.47Å; C400-L413 HydrophobicContact CB-CD1 3.6Å; F407-L413 HydrophobicContact CB-CB 4.16Å; F407-L413 HydrophobicContact CD2-CB 3.92Å; F407-L413 HydrophobicContact CD2-CD1 3.78Å; F407-L413 HydrophobicContact CD2-CG 4.44Å; F407-L413 HydrophobicContact CE2-CD1 3.99Å; F407-L413 HydrophobicContact CG-CB 4.09Å; H409-L413 PolarHBondContact O-N 3.3Å; P410-L413 CarbonylContact O-C 3.53Å; P410-L413 WeakPolarHBondContact O-CA 3.4Å; P410-L413 VanDerWaalsContact O-CB 3.27Å; P410-L413 WeakPolarHBondContact O-CB 3.23Å; P410-L413 PolarHBondContact O-N 3.04Å; L413-Y415 PolarHBondContact O-N 3.21Å; L413-H416 CarbonylContact O-C 3.43Å; L413-H416 WeakPolarHBondContact O-CA 3.14Å; L413-H416 WeakPolarHBondContact O-CB 3.35Å; L413-H416 PolarHBondContact O-N 3.45Å; L413-L417 HydrophobicContact CD1-CD1 4.31Å; L413-L417 HydrophobicContact CD1-CD2 4.09Å; L413-L417 HydrophobicContact CD1-CG 3.89Å; L413-L417 HydrophobicContact CG-CD1 4.11Å; L413-L417 HydrophobicContact CG-CG 4.17Å; L413-L417 VanDerWaalsContact O-CG 3.3Å; L413-L417 WeakPolarHBondContact O-CG 3.49Å; L413-L417 PolarHBondContact O-N 3.08Å
414	T	75.7	Confident	71.9	Confident	94 Å²	94	80.8 Å²	80.8	58%	0.577	43%	0.426	S	S	*	.	H	α-helix	trans	-56.8	-46.5	176.3	-46.4	0	0	0	0	112.4	P410 S411 H416 L417 R418	P410-T414 PolarHBondContact O-N 3.45Å; P410-T414 PolarHBondContact O-OG1 3.11Å; P410-T414 VanDerWaalsContact O-OG1 3.07Å; S411-T414 PolarHBondContact O-N 3.36Å; T414-H416 VanDerWaalsContact C-N 3.3Å; T414-H416 PolarHBondContact O-N 2.84Å; T414-L417 PolarHBondContact O-N 3.21Å; T414-R418 PolarHBondContact O-N 2.97Å
415	Y	70.4	Confident	71.7	Confident	114 Å²	114	79.6 Å²	79.6	45%	0.447	41%	0.405	S	S	.	.	H	α-helix	trans	-63.6	-35.9	173.3	179.7	-98.2	0	0	0	112.2	S411 L413 R418	S411-Y415 PolarHBondContact O-N 3.1Å; L413-Y415 PolarHBondContact O-N 3.21Å; Y415-R418 VanDerWaalsContact O-CB 3.25Å; Y415-R418 WeakPolarHBondContact O-CB 3.34Å; Y415-R418 PolarHBondContact O-N 3.09Å
416	H	72.9	Confident	71.7	Confident	10 Å²	10	77.7 Å²	77.7	5%	0.046	41%	0.406	C	S	.	.	H	α-helix	trans	-72.2	-33.3	175.7	169.5	70.2	0	0	0	113.2	C400 C403 F407 R412 L413 T414 R418 V419 H420	C400-H416 VanDerWaalsContact CB-CD2 3.48Å; C400-H416 WeakPolarHBondContact CB-CD2 3.45Å; C400-H416 WeakPolarHBondContact CB-NE2 3.48Å; C400-H416 VanDerWaalsContact SG-CD2 3.53Å; C400-H416 PolarHBondContact SG-NE2 3.14Å; C403-H416 VanDerWaalsContact SG-CE1 3.56Å; C403-H416 PolarHBondContact SG-NE2 3.34Å; F407-H416 HydrophobicContact CD1-CB 4.3Å; F407-H416 HydrophobicContact CE1-CB 3.52Å; F407-H416 AromaticContact CE1-CG 3.69Å; F407-H416 HydrophobicContact CE2-CB 3.96Å; F407-H416 AromaticContact CE2-CD2 3.23Å; F407-H416 WeakPolarHBondContact CE2-CD2 3.39Å; F407-H416 AromaticContact CE2-CG 3.58Å; F407-H416 AromaticContact CE2-NE2 3.81Å; F407-H416 HydrophobicContact CZ-CB 3.36Å; F407-H416 AromaticContact CZ-CD2 3.17Å; F407-H416 WeakPolarHBondContact CZ-CD2 3.47Å; F407-H416 AromaticContact CZ-CE1 3.87Å; F407-H416 AromaticContact CZ-CG 3Å; F407-H416 AromaticContact CZ-ND1 3.5Å; F407-H416 AromaticContact CZ-NE2 3.67Å; R412-H416 WeakPolarHBondContact O-CB 3.28Å; R412-H416 PolarHBondContact O-N 3.18Å; L413-H416 CarbonylContact O-C 3.43Å; L413-H416 WeakPolarHBondContact O-CA 3.14Å; L413-H416 WeakPolarHBondContact O-CB 3.35Å; L413-H416 PolarHBondContact O-N 3.45Å; T414-H416 VanDerWaalsContact C-N 3.3Å; T414-H416 PolarHBondContact O-N 2.84Å; H416-R418 PolarHBondContact O-N 3.18Å; H416-V419 VanDerWaalsContact O-CA 3.32Å; H416-V419 WeakPolarHBondContact O-CA 3.21Å; H416-V419 WeakPolarHBondContact O-CB 3.3Å; H416-V419 WeakPolarHBondContact O-CG2 3.48Å; H416-V419 PolarHBondContact O-N 2.8Å; H416-H420 AromaticContact CD2-NE2 3.99Å; H416-H420 AromaticContact CE1-NE2 3.51Å; H416-H420 AromaticContact NE2-CD2 3.58Å; H416-H420 AromaticContact NE2-NE2 3.09Å; H416-H420 PolarHBondContact NE2-NE2 3.16Å; H416-H420 PolarHBondContact O-N 3.47Å
417	L	74.6	Confident	71.8	Confident	61 Å²	61	77 Å²	77	32%	0.319	40%	0.396	S	S	.	.	H	α-helix	trans	-62.8	-28.6	174.5	-71	173.4	0	0	0	111.1	P401 L413 T414 V419 H420 N421	P401-L417 HydrophobicContact CG-CD2 4.47Å; L413-L417 HydrophobicContact CD1-CD1 4.31Å; L413-L417 HydrophobicContact CD1-CD2 4.09Å; L413-L417 HydrophobicContact CD1-CG 3.89Å; L413-L417 HydrophobicContact CG-CD1 4.11Å; L413-L417 HydrophobicContact CG-CG 4.17Å; L413-L417 VanDerWaalsContact O-CG 3.3Å; L413-L417 WeakPolarHBondContact O-CG 3.49Å; L413-L417 PolarHBondContact O-N 3.08Å; T414-L417 PolarHBondContact O-N 3.21Å; L417-V419 PolarHBondContact O-N 3.45Å; L417-H420 CarbonylContact O-C 3.59Å; L417-H420 WeakPolarHBondContact O-CA 3.43Å; L417-H420 WeakPolarHBondContact O-CB 3.41Å; L417-H420 PolarHBondContact O-N 2.8Å; L417-N421 PolarHBondContact O-N 2.82Å
418	R	70.6	Confident	72.1	Confident	122 Å²	122	78.3 Å²	78.3	46%	0.46	41%	0.408	S	S	.	.	H	α-helix	trans	-62.1	-24.7	167.7	-167.3	-173.5	-72.2	-141.2	7.1	113.3	T414 Y415 H416 H420 N421 E424	T414-R418 PolarHBondContact O-N 2.97Å; Y415-R418 VanDerWaalsContact O-CB 3.25Å; Y415-R418 WeakPolarHBondContact O-CB 3.34Å; Y415-R418 PolarHBondContact O-N 3.09Å; H416-R418 PolarHBondContact O-N 3.18Å; R418-H420 VanDerWaalsContact C-N 3.29Å; R418-N421 PolarHBondContact O-N 3Å; R418-E424 WeakPolarHBondContact CD-OE2 3.44Å; R418-E424 WeakPolarHBondContact CG-OE2 3.41Å; R418-E424 IonicContact NE-OE2 2.93Å; R418-E424 IonicContact NH1-OE1 2.94Å; R418-E424 IonicContact NH1-OE2 2.89Å
419	V	64.9	Low	72.1	Confident	19 Å²	19	72.4 Å²	72.4	12%	0.115	37%	0.372	C	S	.	.	H	α-helix	trans	-72.2	-26.4	170	-171.4	0	0	0	0	110.8	H416 L417 R435	H416-V419 VanDerWaalsContact O-CA 3.32Å; H416-V419 WeakPolarHBondContact O-CA 3.21Å; H416-V419 WeakPolarHBondContact O-CB 3.3Å; H416-V419 WeakPolarHBondContact O-CG2 3.48Å; H416-V419 PolarHBondContact O-N 2.8Å; L417-V419 PolarHBondContact O-N 3.45Å; V419-R435 HydrophobicContact CG1-CB 4.07Å; V419-R435 HydrophobicContact CG1-CG 4.36Å; V419-R435 WeakPolarHBondContact O-CD 3.47Å; V419-R435 WeakPolarHBondContact O-CG 3.23Å
420	H	67.3	Low	72.2	Confident	45 Å²	45	72 Å²	72	21%	0.208	38%	0.379	C	S	.	.	H	α-helix	trans	-82.6	-29.1	170.8	-69.7	-69.8	0	0	0	112.9	C400 H402 H416 L417 R418 S422	C400-H420 PolarHBondContact SG-CD2 2.98Å; C400-H420 PolarHBondContact SG-NE2 3.09Å; H402-H420 WeakPolarHBondContact CB-CE1 3.49Å; H402-H420 VanDerWaalsContact CB-ND1 3.29Å; H402-H420 WeakPolarHBondContact CB-ND1 3.49Å; H402-H420 AromaticContact CD2-CD2 3.94Å; H402-H420 AromaticContact CD2-CG 3.65Å; H402-H420 AromaticContact CG-CG 3.85Å; H402-H420 AromaticContact CG-ND1 3.86Å; H416-H420 AromaticContact CD2-NE2 3.99Å; H416-H420 AromaticContact CE1-NE2 3.51Å; H416-H420 AromaticContact NE2-CD2 3.58Å; H416-H420 AromaticContact NE2-NE2 3.09Å; H416-H420 PolarHBondContact NE2-NE2 3.16Å; H416-H420 PolarHBondContact O-N 3.47Å; L417-H420 CarbonylContact O-C 3.59Å; L417-H420 WeakPolarHBondContact O-CA 3.43Å; L417-H420 WeakPolarHBondContact O-CB 3.41Å; L417-H420 PolarHBondContact O-N 2.8Å; R418-H420 VanDerWaalsContact C-N 3.29Å; H420-S422 PolarHBondContact O-N 3.5Å
421	N	67.2	Low	71.8	Confident	85 Å²	85	73 Å²	73	46%	0.455	38%	0.38	S	S	.	.			trans	-64.4	121.7	178	-161.1	0.6	0	0	0	110.4	L417 R418 T423	L417-N421 PolarHBondContact O-N 2.82Å; R418-N421 PolarHBondContact O-N 3Å; N421-T423 VanDerWaalsContact C-N 3.3Å; N421-T423 PolarHBondContact O-N 3.47Å
422	S	60.3	Low	71.7	Confident	64 Å²	64	71 Å²	71	45%	0.448	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-15.5	-164.9	-163.3	0	0	0	0	114.2	H420 R435	H420-S422 PolarHBondContact O-N 3.5Å; S422-R435 PolarHBondContact OG-NH1 3.26Å
423	T	62.8	Low	71.8	Confident	111 Å²	111	66.1 Å²	66.1	68%	0.681	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-37.1	-173.3	53.8	0	0	0	0	113.1	N421	N421-T423 VanDerWaalsContact C-N 3.3Å; N421-T423 PolarHBondContact O-N 3.47Å
424	E	64.6	Low	71.6	Confident	102 Å²	102	67.7 Å²	67.7	48%	0.477	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-21	-176.8	-67	-175.4	-154.9	0	0	114	R418	R418-E424 WeakPolarHBondContact CD-OE2 3.44Å; R418-E424 WeakPolarHBondContact CG-OE2 3.41Å; R418-E424 IonicContact NE-OE2 2.93Å; R418-E424 IonicContact NH1-OE1 2.94Å; R418-E424 IonicContact NH1-OE2 2.89Å
425	R	71.3	Confident	71.7	Confident	52 Å²	52	65.7 Å²	65.7	20%	0.196	34%	0.343	C	S	.	.			trans	-139.1	75.2	179.7	-67.3	-173.9	176.6	-154.7	-1.7	111.3	D228 F427 R435 F436	D228-R425 IonicContact OD2-NH2 2.85Å; R425-F427 PolarHBondContact O-N 3.12Å; R425-R435 HydrophobicContact CB-CB 4.07Å; R425-R435 PolarHBondContact O-NH1 2.94Å; R425-F436 CarbonylContact C-O 3.59Å; R425-F436 VanDerWaalsContact CA-O 3.31Å; R425-F436 WeakPolarHBondContact CA-O 3.2Å
426	P	73.1	Confident	72.1	Confident	62 Å²	62	61 Å²	61	40%	0.403	33%	0.325	S	S	.	.			trans	-68.2	-17.5	-169.3	-20	32.8	0	0	0	114.8	P428	P426-P428 WeakPolarHBondContact O-CD 3.42Å
427	F	78.3	Confident	72.4	Confident	68 Å²	68	62 Å²	62	30%	0.298	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	89.7	-166.6	-60.9	-83.4	0	0	0	112.6	R425 R435 F436 A437 D438 Q439 L442	R425-F427 PolarHBondContact O-N 3.12Å; F427-R435 CarbonylContact O-C 3.56Å; F427-R435 WeakPolarHBondContact O-CA 3.29Å; F427-F436 HydrophobicContact CB-CB 4.26Å; F427-F436 PolarHBondContact N-O 3.1Å; F427-F436 VanDerWaalsContact N-O 3.08Å; F427-F436 PolarHBondContact O-N 3.45Å; F427-A437 WeakPolarHBondContact CD2-O 3.43Å; F427-A437 WeakPolarHBondContact CE2-O 3.39Å; F427-D438 VanDerWaalsContact CE2-CA 3.44Å; F427-Q439 HydrophobicContact CD1-CB 3.98Å; F427-Q439 HydrophobicContact CE1-CB 3.69Å; F427-Q439 HydrophobicContact CE1-CG 4.49Å; F427-Q439 HydrophobicContact CZ-CB 4.08Å; F427-L442 HydrophobicContact CB-CB 3.98Å; F427-L442 HydrophobicContact CB-CD2 3.85Å; F427-L442 HydrophobicContact CB-CG 4.49Å
428	P	79.9	Confident	72.6	Confident	63 Å²	63	60.6 Å²	60.6	41%	0.409	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	143.9	175.1	29.6	-35.6	0	0	0	112.9	P426 R435 L442	P426-P428 WeakPolarHBondContact O-CD 3.42Å; P428-R435 HydrophobicContact CB-CG 4Å; P428-L442 WeakPolarHBondContact O-CD2 3.16Å
429	C	76.7	Confident	73.1	Confident	11 Å²	11	59 Å²	59	7%	0.074	33%	0.326	C	S	.	.			trans	-79.6	132.6	166.2	-172	0	0	0	0	110.3	D431 C432 K434 F436 L442 H445 H449	C429-D431 VanDerWaalsContact C-N 3.33Å; C429-C432 WeakPolarHBondContact CB-O 3.49Å; C429-K434 WeakPolarHBondContact CB-O 3.39Å; C429-K434 PolarHBondContact N-O 3.4Å; C429-F436 HydrophobicContact CB-CE2 4.23Å; C429-L442 HydrophobicContact CB-CD1 3.81Å; C429-H445 VanDerWaalsContact SG-CD2 3.52Å; C429-H445 PolarHBondContact SG-NE2 3.32Å; C429-H449 VanDerWaalsContact SG-CD2 3.54Å
430	P	78.5	Confident	73.9	Confident	96 Å²	96	61.6 Å²	61.6	62%	0.623	35%	0.349	S	S	*	.	S	Bend	trans	-72.1	-27.9	175.7	28	-33.4	0	0	0	112.8
431	D	73.3	Confident	74.5	Confident	97 Å²	97	61.7 Å²	61.7	52%	0.519	35%	0.348	S	S	.	.	S	Bend	trans	-93.3	-10.6	-172.7	-53	-62.2	0	0	0	113.3	C429 H449	C429-D431 VanDerWaalsContact C-N 3.33Å; D431-H449 HydrophobicContact CB-CB 4.13Å
432	C	73.3	Confident	75.1	Confident	26 Å²	26	58.2 Å²	58.2	18%	0.176	33%	0.329	C	S	.	.	S	Bend	trans	-157.2	163.1	176.2	84.2	0	0	0	0	112.7	C429 K434 H445 H449	C429-C432 WeakPolarHBondContact CB-O 3.49Å; C432-K434 PolarHBondContact O-N 3.03Å; C432-K434 VanDerWaalsContact SG-CG 3.58Å; C432-H445 VanDerWaalsContact SG-CE1 3.58Å; C432-H445 PolarHBondContact SG-NE2 3.04Å; C432-H449 WeakPolarHBondContact CB-NE2 3.49Å; C432-H449 PolarHBondContact SG-NE2 3.25Å
433	P	74.3	Confident	76.1	Confident	61 Å²	61	57.9 Å²	57.9	40%	0.396	32%	0.324	S	S	.	.	S	Bend	trans	-75.1	21.7	-174.4	30.9	-37	0	0	0	114.5	C403	C403-P433 HydrophobicContact CB-CB 4.18Å
434	K	72.8	Confident	76.8	Confident	59 Å²	59	53.8 Å²	53.8	26%	0.257	30%	0.3	S	S	.	.			trans	-89.6	135.4	178.2	-64.5	-177.8	-173.5	-178.3	0	110.2	C429 C432 F436	C429-K434 WeakPolarHBondContact CB-O 3.39Å; C429-K434 PolarHBondContact N-O 3.4Å; C432-K434 PolarHBondContact O-N 3.03Å; C432-K434 VanDerWaalsContact SG-CG 3.58Å; K434-F436 HydrophobicContact CB-CE2 3.85Å; K434-F436 HydrophobicContact CB-CZ 3.68Å; K434-F436 HydrophobicContact CD-CZ 4.27Å
435	R	77.6	Confident	77.4	Confident	52 Å²	52	49.4 Å²	49.4	20%	0.196	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	148.1	170.3	-53.8	-175.4	116	-129.1	16.8	110.7	V419 S422 R425 F427 P428	V419-R435 HydrophobicContact CG1-CB 4.07Å; V419-R435 HydrophobicContact CG1-CG 4.36Å; V419-R435 WeakPolarHBondContact O-CD 3.47Å; V419-R435 WeakPolarHBondContact O-CG 3.23Å; S422-R435 PolarHBondContact OG-NH1 3.26Å; R425-R435 HydrophobicContact CB-CB 4.07Å; R425-R435 PolarHBondContact O-NH1 2.94Å; F427-R435 CarbonylContact O-C 3.56Å; F427-R435 WeakPolarHBondContact O-CA 3.29Å; P428-R435 HydrophobicContact CB-CG 4Å
436	F	78.8	Confident	77.7	Confident	15 Å²	15	52.5 Å²	52.5	7%	0.066	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	151.2	-173.8	-59.7	-80.5	0	0	0	111.3	W232 R425 F427 C429 K434 D438 R441 L442 H445	W232-F436 HydrophobicContact CH2-CE1 4.25Å; W232-F436 AromaticContact CZ2-CE1 3.79Å; W232-F436 HydrophobicContact CZ2-CE1 3.79Å; R425-F436 CarbonylContact C-O 3.59Å; R425-F436 VanDerWaalsContact CA-O 3.31Å; R425-F436 WeakPolarHBondContact CA-O 3.2Å; F427-F436 HydrophobicContact CB-CB 4.26Å; F427-F436 PolarHBondContact N-O 3.1Å; F427-F436 VanDerWaalsContact N-O 3.08Å; F427-F436 PolarHBondContact O-N 3.45Å; C429-F436 HydrophobicContact CB-CE2 4.23Å; K434-F436 HydrophobicContact CB-CE2 3.85Å; K434-F436 HydrophobicContact CB-CZ 3.68Å; K434-F436 HydrophobicContact CD-CZ 4.27Å; F436-D438 VanDerWaalsContact C-N 3.31Å; F436-R441 HydrophobicContact CB-CB 4.02Å; F436-R441 HydrophobicContact CD1-CB 3.88Å; F436-R441 HydrophobicContact CG-CB 4.19Å; F436-L442 HydrophobicContact CB-CB 4.1Å; F436-L442 HydrophobicContact CD2-CB 3.76Å; F436-L442 HydrophobicContact CD2-CD1 3.62Å; F436-L442 HydrophobicContact CD2-CG 4.29Å; F436-L442 HydrophobicContact CE2-CD1 3.91Å; F436-L442 HydrophobicContact CG-CB 4.12Å; F436-H445 HydrophobicContact CD2-CB 4.48Å; F436-H445 HydrophobicContact CE1-CB 3.81Å; F436-H445 AromaticContact CE1-CG 3.99Å; F436-H445 HydrophobicContact CE2-CB 3.72Å; F436-H445 AromaticContact CE2-CD2 3.14Å; F436-H445 WeakPolarHBondContact CE2-CD2 3.27Å; F436-H445 AromaticContact CE2-CG 3.47Å; F436-H445 VanDerWaalsContact CE2-CG 3.47Å; F436-H445 AromaticContact CE2-NE2 3.94Å; F436-H445 HydrophobicContact CZ-CB 3.34Å; F436-H445 AromaticContact CZ-CD2 3.23Å; F436-H445 WeakPolarHBondContact CZ-CD2 3.16Å; F436-H445 AromaticContact CZ-CG 3.07Å; F436-H445 AromaticContact CZ-ND1 3.72Å; F436-H445 AromaticContact CZ-NE2 3.89Å
437	A	79.4	Confident	78	Confident	32 Å²	32	53 Å²	53	26%	0.264	29%	0.285	S	S	.	.	S	Bend	trans	-67	-34	177.4	0	0	0	0	0	112.2	F427	F427-A437 WeakPolarHBondContact CD2-O 3.43Å; F427-A437 WeakPolarHBondContact CE2-O 3.39Å
438	D	78.8	Confident	77.5	Confident	31 Å²	31	52.8 Å²	52.8	17%	0.166	30%	0.296	C	S	.	.	S	Bend	trans	-137.4	160.1	-175.8	63.7	57.3	0	0	0	111.7	F427 F436 A440 R441 L442	F427-D438 VanDerWaalsContact CE2-CA 3.44Å; F436-D438 VanDerWaalsContact C-N 3.31Å; D438-A440 VanDerWaalsContact C-N 3.25Å; D438-A440 PolarHBondContact O-N 3.27Å; D438-A440 WeakPolarHBondContact OD1-CA 3.29Å; D438-A440 WeakPolarHBondContact OD1-CB 3.43Å; D438-A440 PolarHBondContact OD1-N 3.05Å; D438-R441 VanDerWaalsContact OD1-CB 3.3Å; D438-R441 WeakPolarHBondContact OD1-CB 3.48Å; D438-R441 VanDerWaalsContact OD1-CG 3.27Å; D438-R441 WeakPolarHBondContact OD1-CG 3.27Å; D438-R441 PolarHBondContact OD1-N 3.38Å; D438-R441 WeakPolarHBondContact OD2-CD 3.49Å; D438-R441 WeakPolarHBondContact OD2-CG 3.2Å; D438-R441 IonicContact OD2-CZ 3.3Å; D438-R441 IonicContact OD2-NE 3.05Å; D438-R441 PolarHBondContact OD2-NE 3Å; D438-L442 PolarHBondContact O-N 2.87Å
439	Q	82.6	Confident	77.1	Confident	88 Å²	88	53.5 Å²	53.5	41%	0.411	29%	0.293	S	S	.	.	H	α-helix	trans	-65.1	-28.2	178.3	-177.4	59.7	32.5	0	0	112.2	F427 L442 T443	F427-Q439 HydrophobicContact CD1-CB 3.98Å; F427-Q439 HydrophobicContact CE1-CB 3.69Å; F427-Q439 HydrophobicContact CE1-CG 4.49Å; F427-Q439 HydrophobicContact CZ-CB 4.08Å; Q439-L442 PolarHBondContact O-N 2.86Å; Q439-T443 PolarHBondContact NE2-OG1 2.98Å; Q439-T443 VanDerWaalsContact O-CB 3.28Å; Q439-T443 WeakPolarHBondContact O-CB 3.25Å; Q439-T443 PolarHBondContact O-N 2.93Å; Q439-T443 PolarHBondContact O-OG1 3.35Å
440	A	80.9	Confident	76.8	Confident	73 Å²	73	55.1 Å²	55.1	60%	0.603	31%	0.308	S	S	*	.	H	α-helix	trans	-68.7	-43.2	-178.2	0	0	0	0	0	111.6	D438 T443 S444	D438-A440 VanDerWaalsContact C-N 3.25Å; D438-A440 PolarHBondContact O-N 3.27Å; D438-A440 WeakPolarHBondContact OD1-CA 3.29Å; D438-A440 WeakPolarHBondContact OD1-CB 3.43Å; D438-A440 PolarHBondContact OD1-N 3.05Å; A440-T443 PolarHBondContact O-N 2.93Å; A440-S444 VanDerWaalsContact O-CB 3.24Å; A440-S444 WeakPolarHBondContact O-CB 2.8Å; A440-S444 PolarHBondContact O-N 3.37Å
441	R	79.5	Confident	76.1	Confident	48 Å²	48	55.2 Å²	55.2	18%	0.181	31%	0.311	C	S	.	.	H	α-helix	trans	-67.6	-40.4	173.7	-71.4	-177.7	-159.8	-162.4	12.2	111.3	P222 F436 D438 S444 H445	P222-R441 PolarHBondContact O-NH2 3.04Å; F436-R441 HydrophobicContact CB-CB 4.02Å; F436-R441 HydrophobicContact CD1-CB 3.88Å; F436-R441 HydrophobicContact CG-CB 4.19Å; D438-R441 VanDerWaalsContact OD1-CB 3.3Å; D438-R441 WeakPolarHBondContact OD1-CB 3.48Å; D438-R441 VanDerWaalsContact OD1-CG 3.27Å; D438-R441 WeakPolarHBondContact OD1-CG 3.27Å; D438-R441 PolarHBondContact OD1-N 3.38Å; D438-R441 WeakPolarHBondContact OD2-CD 3.49Å; D438-R441 WeakPolarHBondContact OD2-CG 3.2Å; D438-R441 IonicContact OD2-CZ 3.3Å; D438-R441 IonicContact OD2-NE 3.05Å; D438-R441 PolarHBondContact OD2-NE 3Å; R441-S444 PolarHBondContact O-N 3.3Å; R441-H445 WeakPolarHBondContact O-CB 3.49Å; R441-H445 PolarHBondContact O-N 3.4Å
442	L	80.6	Confident	75.8	Confident	11 Å²	11	56.1 Å²	56.1	6%	0.058	31%	0.312	C	S	.	.	H	α-helix	trans	-61.2	-49	172.4	172.6	60.7	0	0	0	110.8	F427 P428 C429 F436 D438 Q439 S444 H445 R446	F427-L442 HydrophobicContact CB-CB 3.98Å; F427-L442 HydrophobicContact CB-CD2 3.85Å; F427-L442 HydrophobicContact CB-CG 4.49Å; P428-L442 WeakPolarHBondContact O-CD2 3.16Å; C429-L442 HydrophobicContact CB-CD1 3.81Å; F436-L442 HydrophobicContact CB-CB 4.1Å; F436-L442 HydrophobicContact CD2-CB 3.76Å; F436-L442 HydrophobicContact CD2-CD1 3.62Å; F436-L442 HydrophobicContact CD2-CG 4.29Å; F436-L442 HydrophobicContact CE2-CD1 3.91Å; F436-L442 HydrophobicContact CG-CB 4.12Å; D438-L442 PolarHBondContact O-N 2.87Å; Q439-L442 PolarHBondContact O-N 2.86Å; L442-S444 VanDerWaalsContact C-N 3.3Å; L442-S444 PolarHBondContact O-N 3.01Å; L442-H445 CarbonylContact O-C 3.36Å; L442-H445 WeakPolarHBondContact O-CB 3.18Å; L442-H445 PolarHBondContact O-N 3.08Å; L442-H445 VanDerWaalsContact O-N 3.1Å; L442-R446 HydrophobicContact CD1-CG 3.87Å; L442-R446 HydrophobicContact CG-CG 4.32Å; L442-R446 WeakPolarHBondContact O-CG 3.25Å; L442-R446 PolarHBondContact O-N 3.44Å
443	T	82	Confident	75.9	Confident	57 Å²	57	60.4 Å²	60.4	35%	0.35	32%	0.324	S	S	.	.	H	α-helix	trans	-59.5	-44.5	178.6	-57.3	0	0	0	0	110.7	Q439 A440 H445 R446 R447	Q439-T443 PolarHBondContact NE2-OG1 2.98Å; Q439-T443 VanDerWaalsContact O-CB 3.28Å; Q439-T443 WeakPolarHBondContact O-CB 3.25Å; Q439-T443 PolarHBondContact O-N 2.93Å; Q439-T443 PolarHBondContact O-OG1 3.35Å; A440-T443 PolarHBondContact O-N 2.93Å; T443-H445 VanDerWaalsContact C-N 3.32Å; T443-H445 PolarHBondContact O-N 3.24Å; T443-R446 PolarHBondContact O-N 3.47Å; T443-R447 WeakPolarHBondContact O-CG 3.38Å; T443-R447 PolarHBondContact O-N 3.25Å
444	S	76.5	Confident	76	Confident	26 Å²	26	61 Å²	61	18%	0.182	33%	0.328	C	S	.	.	H	α-helix	trans	-63.3	-36.7	175.4	-169.4	0	0	0	0	112.7	A440 R441 L442 R447 L466	A440-S444 VanDerWaalsContact O-CB 3.24Å; A440-S444 WeakPolarHBondContact O-CB 2.8Å; A440-S444 PolarHBondContact O-N 3.37Å; R441-S444 PolarHBondContact O-N 3.3Å; L442-S444 VanDerWaalsContact C-N 3.3Å; L442-S444 PolarHBondContact O-N 3.01Å; S444-R447 WeakPolarHBondContact O-CB 3.43Å; S444-L466 WeakPolarHBondContact OG-CD2 2.92Å
445	H	77.3	Confident	76.4	Confident	9 Å²	9	60.9 Å²	60.9	4%	0.042	33%	0.328	C	S	.	.	H	α-helix	trans	-72.4	-40.2	176.6	166.3	63.1	0	0	0	112.4	W232 C429 C432 F436 R441 L442 T443 R447 A448 H449	W232-H445 HydrophobicContact CZ2-CB 4.37Å; C429-H445 VanDerWaalsContact SG-CD2 3.52Å; C429-H445 PolarHBondContact SG-NE2 3.32Å; C432-H445 VanDerWaalsContact SG-CE1 3.58Å; C432-H445 PolarHBondContact SG-NE2 3.04Å; F436-H445 HydrophobicContact CD2-CB 4.48Å; F436-H445 HydrophobicContact CE1-CB 3.81Å; F436-H445 AromaticContact CE1-CG 3.99Å; F436-H445 HydrophobicContact CE2-CB 3.72Å; F436-H445 AromaticContact CE2-CD2 3.14Å; F436-H445 WeakPolarHBondContact CE2-CD2 3.27Å; F436-H445 AromaticContact CE2-CG 3.47Å; F436-H445 VanDerWaalsContact CE2-CG 3.47Å; F436-H445 AromaticContact CE2-NE2 3.94Å; F436-H445 HydrophobicContact CZ-CB 3.34Å; F436-H445 AromaticContact CZ-CD2 3.23Å; F436-H445 WeakPolarHBondContact CZ-CD2 3.16Å; F436-H445 AromaticContact CZ-CG 3.07Å; F436-H445 AromaticContact CZ-ND1 3.72Å; F436-H445 AromaticContact CZ-NE2 3.89Å; R441-H445 WeakPolarHBondContact O-CB 3.49Å; R441-H445 PolarHBondContact O-N 3.4Å; L442-H445 CarbonylContact O-C 3.36Å; L442-H445 WeakPolarHBondContact O-CB 3.18Å; L442-H445 PolarHBondContact O-N 3.08Å; L442-H445 VanDerWaalsContact O-N 3.1Å; T443-H445 VanDerWaalsContact C-N 3.32Å; T443-H445 PolarHBondContact O-N 3.24Å; H445-R447 PolarHBondContact O-N 3.43Å; H445-A448 WeakPolarHBondContact O-CB 3.31Å; H445-A448 PolarHBondContact O-N 2.77Å; H445-H449 AromaticContact CE1-CD2 3.88Å; H445-H449 AromaticContact CE1-NE2 3.46Å; H445-H449 PolarHBondContact CE1-NE2 3.35Å; H445-H449 AromaticContact NE2-CD2 3.58Å; H445-H449 AromaticContact NE2-NE2 3.22Å; H445-H449 PolarHBondContact NE2-NE2 3.46Å
446	R	77.4	Confident	76.4	Confident	117 Å²	117	66.6 Å²	66.6	44%	0.442	35%	0.349	S	S	.	.	H	α-helix	trans	-60.4	-29.3	177.1	-74.6	-176.5	71.6	-165.1	-0.8	112.5	L442 T443 A448 H449 A450	L442-R446 HydrophobicContact CD1-CG 3.87Å; L442-R446 HydrophobicContact CG-CG 4.32Å; L442-R446 WeakPolarHBondContact O-CG 3.25Å; L442-R446 PolarHBondContact O-N 3.44Å; T443-R446 PolarHBondContact O-N 3.47Å; R446-A448 PolarHBondContact O-N 3.1Å; R446-H449 WeakPolarHBondContact O-CA 3.4Å; R446-H449 WeakPolarHBondContact O-CB 3.4Å; R446-H449 PolarHBondContact O-N 2.93Å; R446-A450 PolarHBondContact O-N 2.88Å
447	R	79.5	Confident	76.5	Confident	74 Å²	74	65.9 Å²	65.9	28%	0.279	35%	0.346	S	S	.	.	H	α-helix	trans	-56.9	-31.2	170.7	-68.6	172.8	-173.8	175.3	1.6	112.8	T443 S444 H445 H449 S451 E452	T443-R447 WeakPolarHBondContact O-CG 3.38Å; T443-R447 PolarHBondContact O-N 3.25Å; S444-R447 WeakPolarHBondContact O-CB 3.43Å; H445-R447 PolarHBondContact O-N 3.43Å; R447-H449 VanDerWaalsContact C-N 3.34Å; R447-S451 PolarHBondContact O-N 3.36Å; R447-E452 HydrophobicContact CB-CB 4.48Å; R447-E452 PolarHBondContact O-N 3.3Å
448	A	67.6	Low	76.5	Confident	63 Å²	63	69.1 Å²	69.1	52%	0.521	37%	0.373	S	S	.	.	H	α-helix	trans	-69	-30.7	174.5	0	0	0	0	0	112.8	H445 R446	H445-A448 WeakPolarHBondContact O-CB 3.31Å; H445-A448 PolarHBondContact O-N 2.77Å; R446-A448 PolarHBondContact O-N 3.1Å
449	H	72.1	Confident	76.3	Confident	77 Å²	77	74.4 Å²	74.4	36%	0.356	40%	0.396	S	S	.	.	H	α-helix	trans	-75.2	-45.8	173.6	-74.3	-67.7	0	0	0	112.1	C429 D431 C432 H445 R446 R447 S451	C429-H449 VanDerWaalsContact SG-CD2 3.54Å; D431-H449 HydrophobicContact CB-CB 4.13Å; C432-H449 WeakPolarHBondContact CB-NE2 3.49Å; C432-H449 PolarHBondContact SG-NE2 3.25Å; H445-H449 AromaticContact CE1-CD2 3.88Å; H445-H449 AromaticContact CE1-NE2 3.46Å; H445-H449 PolarHBondContact CE1-NE2 3.35Å; H445-H449 AromaticContact NE2-CD2 3.58Å; H445-H449 AromaticContact NE2-NE2 3.22Å; H445-H449 PolarHBondContact NE2-NE2 3.46Å; R446-H449 WeakPolarHBondContact O-CA 3.4Å; R446-H449 WeakPolarHBondContact O-CB 3.4Å; R446-H449 PolarHBondContact O-N 2.93Å; R447-H449 VanDerWaalsContact C-N 3.34Å; H449-S451 PolarHBondContact O-N 3.42Å
450	A	70.3	Confident	76.2	Confident	45 Å²	45	72.4 Å²	72.4	37%	0.372	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-0.9	-179	0	0	0	0	0	113.3	R446 E452	R446-A450 PolarHBondContact O-N 2.88Å; A450-E452 HydrophobicContact CB-CB 4.01Å; A450-E452 HydrophobicContact CB-CG 3.59Å; A450-E452 PolarHBondContact O-N 3.07Å
451	S	63.5	Low	76	Confident	99 Å²	99	70 Å²	70	69%	0.692	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	14.8	-166.3	69.9	0	0	0	0	113.4	R447 H449 R453	R447-S451 PolarHBondContact O-N 3.36Å; H449-S451 PolarHBondContact O-N 3.42Å; S451-R453 PolarHBondContact O-N 2.87Å
452	E	67.7	Low	75.9	Confident	116 Å²	116	74.2 Å²	74.2	54%	0.542	39%	0.39	S	S	.	.			trans	-73.9	117.8	-177.8	-77.9	176.3	-158.3	0	0	108.4	R447 A450 P454	R447-E452 HydrophobicContact CB-CB 4.48Å; R447-E452 PolarHBondContact O-N 3.3Å; A450-E452 HydrophobicContact CB-CB 4.01Å; A450-E452 HydrophobicContact CB-CG 3.59Å; A450-E452 PolarHBondContact O-N 3.07Å; E452-P454 WeakPolarHBondContact O-CD 3.34Å
453	R	74.7	Confident	75.7	Confident	116 Å²	116	75.3 Å²	75.3	44%	0.438	40%	0.398	S	S	.	.			trans	-121.6	84.1	-179.4	-68.8	174.6	127.3	170.2	-1.9	107.9	S451 F455 S463 F464	S451-R453 PolarHBondContact O-N 2.87Å; R453-F455 VanDerWaalsContact C-N 3.26Å; R453-F455 PolarHBondContact O-N 3.28Å; R453-S463 WeakPolarHBondContact CD-O 3.27Å; R453-S463 PolarHBondContact NE-O 3.3Å; R453-S463 VanDerWaalsContact O-CB 3.22Å; R453-S463 WeakPolarHBondContact O-CB 3.48Å; R453-F464 CarbonylContact C-O 3.49Å; R453-F464 WeakPolarHBondContact CA-O 3.41Å
454	P	76.6	Confident	75.7	Confident	73 Å²	73	73.8 Å²	73.8	47%	0.474	39%	0.387	S	S	.	.			trans	-67.8	-28	-174.4	-20.2	32.8	0	0	0	112.8	E452 R456	E452-P454 WeakPolarHBondContact O-CD 3.34Å; P454-R456 PolarHBondContact O-N 2.7Å; P454-R456 VanDerWaalsContact O-N 3.13Å
455	F	80.7	Confident	75.8	Confident	56 Å²	56	73.2 Å²	73.2	25%	0.246	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	87.4	-172	-59.4	-72.8	0	0	0	110.4	R453 S463 F464 S465 K467 L470	R453-F455 VanDerWaalsContact C-N 3.26Å; R453-F455 PolarHBondContact O-N 3.28Å; F455-S463 CarbonylContact O-C 3.55Å; F455-S463 WeakPolarHBondContact O-CA 3.3Å; F455-F464 HydrophobicContact CB-CB 4.33Å; F455-F464 WeakPolarHBondContact CB-O 3.44Å; F455-F464 PolarHBondContact N-O 3.36Å; F455-F464 PolarHBondContact O-N 3.45Å; F455-S465 WeakPolarHBondContact CD2-O 3.48Å; F455-S465 WeakPolarHBondContact CE2-O 3.5Å; F455-K467 HydrophobicContact CD1-CB 3.98Å; F455-K467 HydrophobicContact CD1-CG 4.2Å; F455-K467 HydrophobicContact CD2-CB 4.46Å; F455-K467 VanDerWaalsContact CD2-N 3.33Å; F455-K467 HydrophobicContact CE1-CB 3.7Å; F455-K467 HydrophobicContact CE1-CD 4.35Å; F455-K467 HydrophobicContact CE1-CG 4.07Å; F455-K467 HydrophobicContact CE2-CB 4.2Å; F455-K467 VanDerWaalsContact CE2-N 3.35Å; F455-K467 HydrophobicContact CG-CB 4.35Å; F455-K467 HydrophobicContact CZ-CB 3.81Å; F455-L470 HydrophobicContact CB-CB 3.87Å; F455-L470 HydrophobicContact CB-CD2 3.77Å; F455-L470 HydrophobicContact CB-CG 4.38Å
456	R	78.6	Confident	76	Confident	172 Å²	172	74.1 Å²	74.1	65%	0.649	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.8	129.6	178.8	-165.5	174.9	-153.8	-126.9	6.6	111.8	P454 A458 G461	P454-R456 PolarHBondContact O-N 2.7Å; P454-R456 VanDerWaalsContact O-N 3.13Å; R456-A458 PolarHBondContact O-N 3.29Å; R456-G461 PolarHBondContact NE-O 3.5Å
457	C	79.5	Confident	76.3	Confident	1 Å²	1	74.9 Å²	74.9	1%	0.007	40%	0.395	C	S	.	.			trans	-71.3	119.7	167.3	-177.2	0	0	0	0	109.6	Q459 G461 R462 F464 L470 H473 H477	C457-Q459 PolarHBondContact O-N 3.5Å; C457-G461 WeakPolarHBondContact O-CA 3.48Å; C457-G461 PolarHBondContact O-N 2.81Å; C457-R462 WeakPolarHBondContact CB-O 3.34Å; C457-R462 PolarHBondContact N-O 3.12Å; C457-F464 HydrophobicContact CB-CE2 4.47Å; C457-L470 HydrophobicContact CB-CD1 3.65Å; C457-H473 WeakPolarHBondContact CB-NE2 3.31Å; C457-H473 PolarHBondContact SG-NE2 3.4Å; C457-H477 PolarHBondContact SG-CD2 3.13Å; C457-H477 PolarHBondContact SG-NE2 3.5Å; C457-H477 VanDerWaalsContact SG-NE2 3.4Å
458	A	80.6	Confident	76.5	Confident	99 Å²	99	76.1 Å²	76.1	82%	0.818	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-27.4	178	0	0	0	0	0	113	R456	R456-A458 PolarHBondContact O-N 3.29Å
459	Q	75	Confident	77.2	Confident	142 Å²	142	73.7 Å²	73.7	66%	0.664	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-37.5	-173.8	-61	-169.5	14.6	0	0	114.2	C457 H477	C457-Q459 PolarHBondContact O-N 3.5Å; Q459-H477 PolarHBondContact OE1-ND1 3.41Å
460	C	79.4	Confident	77.7	Confident	46 Å²	46	70.8 Å²	70.8	31%	0.311	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.9	-2.1	178.7	69.3	0	0	0	0	114.9	R462 H473 H477	C460-R462 PolarHBondContact O-N 3.24Å; C460-R462 VanDerWaalsContact O-N 3.15Å; C460-R462 VanDerWaalsContact SG-CG 3.58Å; C460-H473 PolarHBondContact SG-CE1 2.77Å; C460-H473 PolarHBondContact SG-NE2 2.88Å; C460-H477 PolarHBondContact SG-NE2 3.43Å
461	G	76.5	Confident	78.3	Confident	22 Å²	22	72.6 Å²	72.6	23%	0.227	38%	0.375	C	S	.	.			trans	72.9	-1.5	-179.6	0	0	0	0	0	115.4	R456 C457	R456-G461 PolarHBondContact NE-O 3.5Å; C457-G461 WeakPolarHBondContact O-CA 3.48Å; C457-G461 PolarHBondContact O-N 2.81Å
462	R	77.5	Confident	79	Confident	137 Å²	137	70.6 Å²	70.6	52%	0.517	36%	0.356	S	S	.	.			trans	-66	135.4	175.8	-69.7	-176.9	-173.7	-172.2	4.8	110.3	C457 C460 F464	C457-R462 WeakPolarHBondContact CB-O 3.34Å; C457-R462 PolarHBondContact N-O 3.12Å; C460-R462 PolarHBondContact O-N 3.24Å; C460-R462 VanDerWaalsContact O-N 3.15Å; C460-R462 VanDerWaalsContact SG-CG 3.58Å; R462-F464 HydrophobicContact CB-CE2 3.99Å; R462-F464 HydrophobicContact CB-CZ 4.09Å
463	S	77.5	Confident	79.6	Confident	34 Å²	34	66.7 Å²	66.7	24%	0.238	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	144	179.8	-58.3	0	0	0	0	111.5	R453 F455	R453-S463 WeakPolarHBondContact CD-O 3.27Å; R453-S463 PolarHBondContact NE-O 3.3Å; R453-S463 VanDerWaalsContact O-CB 3.22Å; R453-S463 WeakPolarHBondContact O-CB 3.48Å; F455-S463 CarbonylContact O-C 3.55Å; F455-S463 WeakPolarHBondContact O-CA 3.3Å
464	F	80.9	Confident	79.8	Confident	25 Å²	25	64.5 Å²	64.5	11%	0.11	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	150.2	-179.2	-58.7	-89.1	0	0	0	111.1	R453 F455 C457 R462 L466 L470 H473	R453-F464 CarbonylContact C-O 3.49Å; R453-F464 WeakPolarHBondContact CA-O 3.41Å; F455-F464 HydrophobicContact CB-CB 4.33Å; F455-F464 WeakPolarHBondContact CB-O 3.44Å; F455-F464 PolarHBondContact N-O 3.36Å; F455-F464 PolarHBondContact O-N 3.45Å; C457-F464 HydrophobicContact CB-CE2 4.47Å; R462-F464 HydrophobicContact CB-CE2 3.99Å; R462-F464 HydrophobicContact CB-CZ 4.09Å; F464-L466 VanDerWaalsContact C-N 3.34Å; F464-L470 HydrophobicContact CB-CB 4.26Å; F464-L470 HydrophobicContact CD2-CB 3.82Å; F464-L470 HydrophobicContact CD2-CD1 3.73Å; F464-L470 HydrophobicContact CD2-CG 4.4Å; F464-L470 HydrophobicContact CE2-CD1 3.95Å; F464-L470 HydrophobicContact CG-CB 4.24Å; F464-H473 HydrophobicContact CE1-CB 3.91Å; F464-H473 HydrophobicContact CE2-CB 3.74Å; F464-H473 AromaticContact CE2-CD2 3.32Å; F464-H473 WeakPolarHBondContact CE2-CD2 3.3Å; F464-H473 AromaticContact CE2-CG 3.47Å; F464-H473 VanDerWaalsContact CE2-CG 3.47Å; F464-H473 AromaticContact CE2-NE2 3.99Å; F464-H473 HydrophobicContact CZ-CB 3.34Å; F464-H473 AromaticContact CZ-CD2 3.52Å; F464-H473 AromaticContact CZ-CG 3.15Å; F464-H473 AromaticContact CZ-ND1 3.61Å
465	S	79	Confident	79.9	Confident	14 Å²	14	65.1 Å²	65.1	10%	0.098	33%	0.325	C	S	.	.	S	Bend	trans	-74.7	-28.9	177	61.4	0	0	0	0	112.1	E236 F455	E236-S465 WeakPolarHBondContact OE1-CB 3.41Å; E236-S465 PolarHBondContact OE1-N 3.24Å; E236-S465 PolarHBondContact OE1-OG 2.83Å; F455-S465 WeakPolarHBondContact CD2-O 3.48Å; F455-S465 WeakPolarHBondContact CE2-O 3.5Å
466	L	81.4	Confident	79.5	Confident	28 Å²	28	63.9 Å²	63.9	15%	0.147	33%	0.328	C	S	.	.	S	Bend	trans	-118.9	144.4	-178.5	-56.8	177.3	0	0	0	112.1	W232 S444 F464 I468 S469 L470	W232-L466 HydrophobicContact CE3-CD1 3.88Å; S444-L466 WeakPolarHBondContact OG-CD2 2.92Å; F464-L466 VanDerWaalsContact C-N 3.34Å; L466-I468 VanDerWaalsContact C-N 3.31Å; L466-I468 PolarHBondContact O-N 3.36Å; L466-S469 PolarHBondContact O-N 3Å; L466-L470 PolarHBondContact O-N 3.43Å
467	K	83.8	Confident	79.4	Confident	134 Å²	134	58 Å²	58	58%	0.583	31%	0.308	S	S	*	.	H	α-helix	trans	-62.1	-38.5	175.1	-169.8	175.6	180	-180	0	112.1	F455 S469 L470 L471	F455-K467 HydrophobicContact CD1-CB 3.98Å; F455-K467 HydrophobicContact CD1-CG 4.2Å; F455-K467 HydrophobicContact CD2-CB 4.46Å; F455-K467 VanDerWaalsContact CD2-N 3.33Å; F455-K467 HydrophobicContact CE1-CB 3.7Å; F455-K467 HydrophobicContact CE1-CD 4.35Å; F455-K467 HydrophobicContact CE1-CG 4.07Å; F455-K467 HydrophobicContact CE2-CB 4.2Å; F455-K467 VanDerWaalsContact CE2-N 3.35Å; F455-K467 HydrophobicContact CG-CB 4.35Å; F455-K467 HydrophobicContact CZ-CB 3.81Å; K467-S469 VanDerWaalsContact C-N 3.34Å; K467-S469 PolarHBondContact O-N 3.13Å; K467-L470 WeakPolarHBondContact O-CB 3.37Å; K467-L470 PolarHBondContact O-N 3Å; K467-L471 HydrophobicContact CG-CD1 4.47Å; K467-L471 WeakPolarHBondContact O-CG 3.23Å; K467-L471 PolarHBondContact O-N 3.43Å
468	I	83.2	Confident	79	Confident	100 Å²	100	60.5 Å²	60.5	51%	0.513	33%	0.328	S	S	.	.	H	α-helix	trans	-63.5	-40.9	179.2	-61.7	171.4	0	0	0	110.8	L466 L470 L471 L472	L466-I468 VanDerWaalsContact C-N 3.31Å; L466-I468 PolarHBondContact O-N 3.36Å; I468-L470 VanDerWaalsContact C-N 3.35Å; I468-L470 PolarHBondContact O-N 3.34Å; I468-L471 PolarHBondContact O-N 2.92Å; I468-L472 HydrophobicContact CG2-CD1 4.15Å; I468-L472 HydrophobicContact CG2-CG 4.47Å; I468-L472 WeakPolarHBondContact O-CG 3.49Å; I468-L472 PolarHBondContact O-N 2.97Å
469	S	82.7	Confident	78.4	Confident	11 Å²	11	62.2 Å²	62.2	8%	0.077	32%	0.32	C	S	.	.	H	α-helix	trans	-61.3	-42.7	174.5	-61	0	0	0	0	111.7	E236 L466 K467 L472 H473	E236-S469 WeakPolarHBondContact OE2-CB 3.28Å; E236-S469 PolarHBondContact OE2-OG 2.94Å; L466-S469 PolarHBondContact O-N 3Å; K467-S469 VanDerWaalsContact C-N 3.34Å; K467-S469 PolarHBondContact O-N 3.13Å; S469-L472 PolarHBondContact O-N 2.93Å; S469-H473 VanDerWaalsContact O-CB 3.29Å; S469-H473 WeakPolarHBondContact O-CB 3.4Å; S469-H473 PolarHBondContact O-N 3.33Å
470	L	83	Confident	78.2	Confident	17 Å²	17	61.2 Å²	61.2	9%	0.089	32%	0.315	C	S	.	.	H	α-helix	trans	-60.7	-45.7	174.1	173.1	65	0	0	0	111.6	F455 C457 F464 L466 K467 I468 H473 Q474	F455-L470 HydrophobicContact CB-CB 3.87Å; F455-L470 HydrophobicContact CB-CD2 3.77Å; F455-L470 HydrophobicContact CB-CG 4.38Å; C457-L470 HydrophobicContact CB-CD1 3.65Å; F464-L470 HydrophobicContact CB-CB 4.26Å; F464-L470 HydrophobicContact CD2-CB 3.82Å; F464-L470 HydrophobicContact CD2-CD1 3.73Å; F464-L470 HydrophobicContact CD2-CG 4.4Å; F464-L470 HydrophobicContact CE2-CD1 3.95Å; F464-L470 HydrophobicContact CG-CB 4.24Å; L466-L470 PolarHBondContact O-N 3.43Å; K467-L470 WeakPolarHBondContact O-CB 3.37Å; K467-L470 PolarHBondContact O-N 3Å; I468-L470 VanDerWaalsContact C-N 3.35Å; I468-L470 PolarHBondContact O-N 3.34Å; L470-H473 CarbonylContact O-C 3.3Å; L470-H473 WeakPolarHBondContact O-CB 3.42Å; L470-H473 PolarHBondContact O-N 3.42Å; L470-Q474 HydrophobicContact CD1-CG 3.93Å; L470-Q474 HydrophobicContact CG-CG 4.26Å; L470-Q474 WeakPolarHBondContact O-CB 3.47Å; L470-Q474 WeakPolarHBondContact O-CG 3.41Å; L470-Q474 PolarHBondContact O-N 2.98Å
471	L	83.3	Confident	78.1	Confident	82 Å²	82	64.2 Å²	64.2	43%	0.429	32%	0.32	S	S	.	.	H	α-helix	trans	-62.8	-45.2	179.5	-70.8	172.2	0	0	0	111.9	K467 I468 H473 Q474 R475	K467-L471 HydrophobicContact CG-CD1 4.47Å; K467-L471 WeakPolarHBondContact O-CG 3.23Å; K467-L471 PolarHBondContact O-N 3.43Å; I468-L471 PolarHBondContact O-N 2.92Å; L471-H473 VanDerWaalsContact C-N 3.26Å; L471-H473 PolarHBondContact O-N 3.07Å; L471-Q474 PolarHBondContact O-N 3.24Å; L471-R475 WeakPolarHBondContact O-CG 3.38Å; L471-R475 PolarHBondContact O-N 3.38Å
472	L	77.9	Confident	78.2	Confident	57 Å²	57	66.9 Å²	66.9	30%	0.298	33%	0.333	S	S	.	.	H	α-helix	trans	-61.8	-36.3	175.2	-73	172.6	0	0	0	112	I233 I468 S469	I233-L472 HydrophobicContact CD1-CD1 4.44Å; I468-L472 HydrophobicContact CG2-CD1 4.15Å; I468-L472 HydrophobicContact CG2-CG 4.47Å; I468-L472 WeakPolarHBondContact O-CG 3.49Å; I468-L472 PolarHBondContact O-N 2.97Å; S469-L472 PolarHBondContact O-N 2.93Å
473	H	79.7	Confident	78.5	Confident	34 Å²	34	63.3 Å²	63.3	16%	0.157	32%	0.321	C	S	.	.	H	α-helix	trans	-68.9	-43.9	173.9	165.6	73.1	0	0	0	112.6	C457 C460 F464 S469 L470 L471 R475 G476 H477	C457-H473 WeakPolarHBondContact CB-NE2 3.31Å; C457-H473 PolarHBondContact SG-NE2 3.4Å; C460-H473 PolarHBondContact SG-CE1 2.77Å; C460-H473 PolarHBondContact SG-NE2 2.88Å; F464-H473 HydrophobicContact CE1-CB 3.91Å; F464-H473 HydrophobicContact CE2-CB 3.74Å; F464-H473 AromaticContact CE2-CD2 3.32Å; F464-H473 WeakPolarHBondContact CE2-CD2 3.3Å; F464-H473 AromaticContact CE2-CG 3.47Å; F464-H473 VanDerWaalsContact CE2-CG 3.47Å; F464-H473 AromaticContact CE2-NE2 3.99Å; F464-H473 HydrophobicContact CZ-CB 3.34Å; F464-H473 AromaticContact CZ-CD2 3.52Å; F464-H473 AromaticContact CZ-CG 3.15Å; F464-H473 AromaticContact CZ-ND1 3.61Å; S469-H473 VanDerWaalsContact O-CB 3.29Å; S469-H473 WeakPolarHBondContact O-CB 3.4Å; S469-H473 PolarHBondContact O-N 3.33Å; L470-H473 CarbonylContact O-C 3.3Å; L470-H473 WeakPolarHBondContact O-CB 3.42Å; L470-H473 PolarHBondContact O-N 3.42Å; L471-H473 VanDerWaalsContact C-N 3.26Å; L471-H473 PolarHBondContact O-N 3.07Å; H473-R475 VanDerWaalsContact C-N 3.27Å; H473-R475 PolarHBondContact O-N 3.25Å; H473-G476 WeakPolarHBondContact O-CA 3.37Å; H473-G476 PolarHBondContact O-N 3.28Å; H473-H477 AromaticContact CE1-NE2 3.53Å; H473-H477 AromaticContact NE2-CD2 3.57Å; H473-H477 AromaticContact NE2-NE2 3.21Å; H473-H477 PolarHBondContact NE2-NE2 2.82Å
474	Q	79	Confident	78.9	Confident	70 Å²	70	64.7 Å²	64.7	33%	0.327	33%	0.331	S	S	.	.	H	α-helix	trans	-62.3	-31.5	177.7	-77.8	176.6	-31	0	0	112.6	L470 L471 G476 H477 A478	L470-Q474 HydrophobicContact CD1-CG 3.93Å; L470-Q474 HydrophobicContact CG-CG 4.26Å; L470-Q474 WeakPolarHBondContact O-CB 3.47Å; L470-Q474 WeakPolarHBondContact O-CG 3.41Å; L470-Q474 PolarHBondContact O-N 2.98Å; L471-Q474 PolarHBondContact O-N 3.24Å; Q474-G476 PolarHBondContact O-N 3.39Å; Q474-H477 WeakPolarHBondContact O-CA 3.47Å; Q474-H477 VanDerWaalsContact O-CB 3.29Å; Q474-H477 WeakPolarHBondContact O-CB 3.29Å; Q474-H477 PolarHBondContact O-N 2.86Å; Q474-A478 PolarHBondContact O-N 3.08Å; Q474-A478 VanDerWaalsContact O-N 3.08Å
475	R	78.6	Confident	79.2	Confident	87 Å²	87	63.6 Å²	63.6	33%	0.328	33%	0.326	S	S	.	.	H	α-helix	trans	-58	-34	170.6	-72.8	176.7	-172.1	174.7	-0.3	112.9	L471 H473 H477 A478 Q479 E480	L471-R475 WeakPolarHBondContact O-CG 3.38Å; L471-R475 PolarHBondContact O-N 3.38Å; H473-R475 VanDerWaalsContact C-N 3.27Å; H473-R475 PolarHBondContact O-N 3.25Å; R475-H477 VanDerWaalsContact C-N 3.27Å; R475-H477 PolarHBondContact O-N 3.37Å; R475-A478 PolarHBondContact O-N 2.86Å; R475-Q479 PolarHBondContact O-N 3.03Å; R475-E480 PolarHBondContact O-N 2.93Å; R475-E480 VanDerWaalsContact O-N 3.11Å
476	G	72.8	Confident	79.6	Confident	29 Å²	29	68 Å²	68	30%	0.299	36%	0.355	S	S	.	.	H	α-helix	trans	-65.5	-30.3	174.3	0	0	0	0	0	113.4	H473 Q474 N493	H473-G476 WeakPolarHBondContact O-CA 3.37Å; H473-G476 PolarHBondContact O-N 3.28Å; Q474-G476 PolarHBondContact O-N 3.39Å; G476-N493 VanDerWaalsContact CA-ND2 3.29Å; G476-N493 WeakPolarHBondContact CA-ND2 3.4Å; G476-N493 PolarHBondContact N-ND2 3.24Å
477	H	76.4	Confident	79.7	Confident	48 Å²	48	72.6 Å²	72.6	22%	0.222	38%	0.376	C	S	.	.	H	α-helix	trans	-73.2	-42.9	173.1	-80.1	-59.8	0	0	0	112.8	C457 Q459 C460 H473 Q474 R475 Q479	C457-H477 PolarHBondContact SG-CD2 3.13Å; C457-H477 PolarHBondContact SG-NE2 3.5Å; C457-H477 VanDerWaalsContact SG-NE2 3.4Å; Q459-H477 PolarHBondContact OE1-ND1 3.41Å; C460-H477 PolarHBondContact SG-NE2 3.43Å; H473-H477 AromaticContact CE1-NE2 3.53Å; H473-H477 AromaticContact NE2-CD2 3.57Å; H473-H477 AromaticContact NE2-NE2 3.21Å; H473-H477 PolarHBondContact NE2-NE2 2.82Å; Q474-H477 WeakPolarHBondContact O-CA 3.47Å; Q474-H477 VanDerWaalsContact O-CB 3.29Å; Q474-H477 WeakPolarHBondContact O-CB 3.29Å; Q474-H477 PolarHBondContact O-N 2.86Å; R475-H477 VanDerWaalsContact C-N 3.27Å; R475-H477 PolarHBondContact O-N 3.37Å; H477-Q479 PolarHBondContact O-N 3.38Å; H477-Q479 VanDerWaalsContact O-N 3.17Å
478	A	71.1	Confident	79.9	Confident	54 Å²	54	68.8 Å²	68.8	45%	0.446	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-3.4	178.6	0	0	0	0	0	113.1	Q474 R475 E480	Q474-A478 PolarHBondContact O-N 3.08Å; Q474-A478 VanDerWaalsContact O-N 3.08Å; R475-A478 PolarHBondContact O-N 2.86Å; A478-E480 HydrophobicContact CB-CB 4.08Å; A478-E480 HydrophobicContact CB-CG 3.73Å; A478-E480 PolarHBondContact O-N 3.23Å
479	Q	68.1	Low	80	Confident	135 Å²	135	66.2 Å²	66.2	63%	0.631	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	16.9	-165.9	-61.1	-67	-20	0	0	112.9	R475 H477 R481	R475-Q479 PolarHBondContact O-N 3.03Å; H477-Q479 PolarHBondContact O-N 3.38Å; H477-Q479 VanDerWaalsContact O-N 3.17Å; Q479-R481 PolarHBondContact O-N 3.48Å
480	E	70.7	Confident	80.1	Confident	121 Å²	121	69.6 Å²	69.6	57%	0.565	38%	0.38	S	S	*	.			trans	-77	112.4	179.9	-76.3	-179.4	-173	0	0	108.6	R475 A478 P482	R475-E480 PolarHBondContact O-N 2.93Å; R475-E480 VanDerWaalsContact O-N 3.11Å; A478-E480 HydrophobicContact CB-CB 4.08Å; A478-E480 HydrophobicContact CB-CG 3.73Å; A478-E480 PolarHBondContact O-N 3.23Å; E480-P482 WeakPolarHBondContact O-CD 3.34Å
481	R	77.5	Confident	80.2	Confident	109 Å²	109	72 Å²	72	41%	0.411	39%	0.393	S	S	.	.			trans	-121.5	81	179.3	-75.2	174.5	146.2	-164.3	5.2	109.2	Q479 F483 D491 F492 N493	Q479-R481 PolarHBondContact O-N 3.48Å; R481-F483 PolarHBondContact O-N 3.1Å; R481-F483 VanDerWaalsContact O-N 3.1Å; R481-D491 HydrophobicContact CB-CB 3.25Å; R481-D491 VanDerWaalsContact CD-O 3.25Å; R481-D491 WeakPolarHBondContact CD-O 3.35Å; R481-D491 HydrophobicContact CG-CB 4.18Å; R481-D491 VanDerWaalsContact CZ-O 3.25Å; R481-D491 PolarHBondContact NE-O 3.37Å; R481-D491 PolarHBondContact NH1-O 3.18Å; R481-D491 WeakPolarHBondContact O-CB 3.48Å; R481-F492 CarbonylContact C-O 3.59Å; R481-F492 WeakPolarHBondContact CA-O 3.43Å; R481-N493 WeakPolarHBondContact CG-OD1 3.19Å; R481-N493 PolarHBondContact NE-OD1 2.9Å; R481-N493 VanDerWaalsContact NE-OD1 3.1Å
482	P	78.6	Confident	80.2	Confident	79 Å²	79	69.7 Å²	69.7	51%	0.513	38%	0.38	S	S	.	.			trans	-66.7	-16.9	-171	-21.2	33.6	0	0	0	114.2	E480	E480-P482 WeakPolarHBondContact O-CD 3.34Å
483	F	83.1	Confident	80.4	Confident	61 Å²	61	69.1 Å²	69.1	27%	0.268	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	93	-172.8	-57.9	-77.3	0	0	0	110	R481 D491 F492 G494 H495 L498	R481-F483 PolarHBondContact O-N 3.1Å; R481-F483 VanDerWaalsContact O-N 3.1Å; F483-D491 CarbonylContact O-C 3.42Å; F483-F492 HydrophobicContact CB-CB 4.35Å; F483-F492 PolarHBondContact N-O 3.18Å; F483-F492 WeakPolarHBondContact O-CD2 3.45Å; F483-F492 PolarHBondContact O-N 3.09Å; F483-G494 VanDerWaalsContact CD2-C 3.5Å; F483-H495 HydrophobicContact CD1-CB 4.06Å; F483-H495 HydrophobicContact CE1-CB 3.82Å; F483-H495 HydrophobicContact CE2-CB 4.49Å; F483-H495 HydrophobicContact CG-CB 4.49Å; F483-H495 HydrophobicContact CZ-CB 4.05Å; F483-L498 HydrophobicContact CB-CB 4.09Å; F483-L498 HydrophobicContact CB-CD2 3.92Å
484	S	86.1	Confident	80.5	Confident	64 Å²	64	68.3 Å²	68.3	45%	0.448	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	141.7	178.2	62	0	0	0	0	111.9	D491	S484-D491 WeakPolarHBondContact CA-OD1 3.17Å; S484-D491 WeakPolarHBondContact CB-OD1 3.23Å
485	C	88.2	Confident	80.8	Confident	1 Å²	1	70 Å²	70	1%	0.007	39%	0.385	C	S	.	.			trans	-80.3	123	170.4	-173.6	0	0	0	0	110.2	Q487 G489 I490 F492 L498 H501 H505	C485-Q487 PolarHBondContact O-N 3.02Å; C485-G489 VanDerWaalsContact O-CA 3.28Å; C485-G489 WeakPolarHBondContact O-CA 3.33Å; C485-G489 PolarHBondContact O-N 3.42Å; C485-I490 PolarHBondContact N-O 2.97Å; C485-F492 HydrophobicContact CB-CE2 4.25Å; C485-L498 HydrophobicContact CB-CD1 3.7Å; C485-H501 WeakPolarHBondContact CB-NE2 3.38Å; C485-H501 PolarHBondContact SG-CD2 3.03Å; C485-H501 PolarHBondContact SG-NE2 3.26Å; C485-H505 VanDerWaalsContact SG-CD2 3.54Å; C485-H505 PolarHBondContact SG-NE2 3.47Å; C485-H505 VanDerWaalsContact SG-NE2 3.45Å
486	P	85.9	Confident	81	Confident	108 Å²	108	69.8 Å²	69.8	70%	0.701	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-20.1	-178	26.5	-34.8	0	0	0	113.5
487	Q	83.5	Confident	81.6	Confident	123 Å²	123	69.4 Å²	69.4	58%	0.575	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-31.7	-175.9	-74.1	169.9	-41.6	0	0	114.1	C485 H505	C485-Q487 PolarHBondContact O-N 3.02Å; Q487-H505 PolarHBondContact OE1-CD2 3.49Å
488	C	87.8	Confident	82.1	Confident	54 Å²	54	67.9 Å²	67.9	37%	0.365	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.8	-4.4	-179.1	65.5	0	0	0	0	114.9	I490 H501 H505	C488-I490 HydrophobicContact CB-CG1 4.37Å; C488-I490 PolarHBondContact O-N 3.43Å; C488-I490 VanDerWaalsContact SG-CG1 3.53Å; C488-H501 VanDerWaalsContact SG-CE1 3.5Å; C488-H501 PolarHBondContact SG-NE2 3Å; C488-H505 PolarHBondContact SG-NE2 3.43Å; C488-H505 VanDerWaalsContact SG-NE2 3.36Å
489	G	85.1	Confident	82.9	Confident	47 Å²	47	69 Å²	69	49%	0.485	38%	0.382	S	S	.	.			trans	68.3	9.4	-178	0	0	0	0	0	114.6	C485 D491	C485-G489 VanDerWaalsContact O-CA 3.28Å; C485-G489 WeakPolarHBondContact O-CA 3.33Å; C485-G489 PolarHBondContact O-N 3.42Å; G489-D491 PolarHBondContact O-N 3.41Å
490	I	85	Confident	83.7	Confident	82 Å²	82	67.8 Å²	67.8	42%	0.421	37%	0.372	S	S	.	.			trans	-73.8	125.5	175.6	-61.7	173.7	0	0	0	108.8	C485 C488 F492	C485-I490 PolarHBondContact N-O 2.97Å; C488-I490 HydrophobicContact CB-CG1 4.37Å; C488-I490 PolarHBondContact O-N 3.43Å; C488-I490 VanDerWaalsContact SG-CG1 3.53Å; I490-F492 HydrophobicContact CB-CE2 4.16Å; I490-F492 HydrophobicContact CB-CZ 4.14Å; I490-F492 HydrophobicContact CG2-CE1 4.15Å; I490-F492 HydrophobicContact CG2-CE2 3.88Å; I490-F492 HydrophobicContact CG2-CZ 3.54Å; I490-F492 WeakPolarHBondContact O-CD2 3.1Å; I490-F492 WeakPolarHBondContact O-CE2 3.32Å
491	D	85.2	Confident	84.5	Confident	68 Å²	68	63 Å²	63	36%	0.364	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	145.7	179.9	-48.9	-50.4	0	0	0	112.7	R481 F483 S484 G489	R481-D491 HydrophobicContact CB-CB 3.25Å; R481-D491 VanDerWaalsContact CD-O 3.25Å; R481-D491 WeakPolarHBondContact CD-O 3.35Å; R481-D491 HydrophobicContact CG-CB 4.18Å; R481-D491 VanDerWaalsContact CZ-O 3.25Å; R481-D491 PolarHBondContact NE-O 3.37Å; R481-D491 PolarHBondContact NH1-O 3.18Å; R481-D491 WeakPolarHBondContact O-CB 3.48Å; F483-D491 CarbonylContact O-C 3.42Å; S484-D491 WeakPolarHBondContact CA-OD1 3.17Å; S484-D491 WeakPolarHBondContact CB-OD1 3.23Å; G489-D491 PolarHBondContact O-N 3.41Å
492	F	83.7	Confident	85	Confident	32 Å²	32	60.3 Å²	60.3	14%	0.14	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	146.9	-178.3	-60.2	-84.5	0	0	0	112.4	R481 F483 C485 I490 G494 A497 L498 H501	R481-F492 CarbonylContact C-O 3.59Å; R481-F492 WeakPolarHBondContact CA-O 3.43Å; F483-F492 HydrophobicContact CB-CB 4.35Å; F483-F492 PolarHBondContact N-O 3.18Å; F483-F492 WeakPolarHBondContact O-CD2 3.45Å; F483-F492 PolarHBondContact O-N 3.09Å; C485-F492 HydrophobicContact CB-CE2 4.25Å; I490-F492 HydrophobicContact CB-CE2 4.16Å; I490-F492 HydrophobicContact CB-CZ 4.14Å; I490-F492 HydrophobicContact CG2-CE1 4.15Å; I490-F492 HydrophobicContact CG2-CE2 3.88Å; I490-F492 HydrophobicContact CG2-CZ 3.54Å; I490-F492 WeakPolarHBondContact O-CD2 3.1Å; I490-F492 WeakPolarHBondContact O-CE2 3.32Å; F492-G494 PolarHBondContact O-N 3.48Å; F492-A497 HydrophobicContact CB-CB 4.15Å; F492-A497 HydrophobicContact CD1-CB 3.94Å; F492-A497 HydrophobicContact CG-CB 4.28Å; F492-L498 HydrophobicContact CB-CB 4.39Å; F492-L498 HydrophobicContact CD2-CB 3.9Å; F492-L498 HydrophobicContact CD2-CD1 3.87Å; F492-L498 HydrophobicContact CE2-CD1 4.05Å; F492-L498 HydrophobicContact CG-CB 4.33Å; F492-H501 HydrophobicContact CE1-CB 3.86Å; F492-H501 HydrophobicContact CE2-CB 3.76Å; F492-H501 AromaticContact CE2-CD2 3.39Å; F492-H501 WeakPolarHBondContact CE2-CD2 3.39Å; F492-H501 AromaticContact CE2-CG 3.51Å; F492-H501 HydrophobicContact CZ-CB 3.32Å; F492-H501 AromaticContact CZ-CD2 3.49Å; F492-H501 VanDerWaalsContact CZ-CD2 3.49Å; F492-H501 WeakPolarHBondContact CZ-CD2 3.22Å; F492-H501 AromaticContact CZ-CG 3.11Å; F492-H501 AromaticContact CZ-ND1 3.5Å
493	N	81.7	Confident	85.5	Confident	46 Å²	46	58.2 Å²	58.2	25%	0.246	33%	0.325	C	S	.	.	S	Bend	trans	-75	-10.7	178.4	-56.9	31.7	0	0	0	113.2	G476 R481	G476-N493 VanDerWaalsContact CA-ND2 3.29Å; G476-N493 WeakPolarHBondContact CA-ND2 3.4Å; G476-N493 PolarHBondContact N-ND2 3.24Å; R481-N493 WeakPolarHBondContact CG-OD1 3.19Å; R481-N493 PolarHBondContact NE-OD1 2.9Å; R481-N493 VanDerWaalsContact NE-OD1 3.1Å
494	G	81.9	Confident	85.8	Confident	16 Å²	16	60.3 Å²	60.3	17%	0.165	34%	0.338	C	S	.	.	S	Bend	trans	-153	144.1	-176.6	0	0	0	0	0	113.4	F483 F492 S496 A497 L498	F483-G494 VanDerWaalsContact CD2-C 3.5Å; F492-G494 PolarHBondContact O-N 3.48Å; G494-S496 PolarHBondContact O-N 3.44Å; G494-A497 WeakPolarHBondContact O-CB 3.49Å; G494-A497 PolarHBondContact O-N 3.4Å; G494-A497 VanDerWaalsContact O-N 3.07Å; G494-L498 PolarHBondContact O-N 3.31Å
495	H	85	Confident	85.8	Confident	107 Å²	107	60.7 Å²	60.7	50%	0.495	33%	0.333	S	S	.	.	H	α-helix	trans	-57.1	-42.1	-176.8	-175	-102.6	0	0	0	113.6	F483 A497 L498 I499	F483-H495 HydrophobicContact CD1-CB 4.06Å; F483-H495 HydrophobicContact CE1-CB 3.82Å; F483-H495 HydrophobicContact CE2-CB 4.49Å; F483-H495 HydrophobicContact CG-CB 4.49Å; F483-H495 HydrophobicContact CZ-CB 4.05Å; H495-A497 PolarHBondContact O-N 2.92Å; H495-L498 WeakPolarHBondContact O-CB 3.12Å; H495-L498 PolarHBondContact O-N 2.9Å; H495-L498 VanDerWaalsContact O-N 3.12Å; H495-I499 WeakPolarHBondContact O-CG1 3.22Å; H495-I499 PolarHBondContact O-N 3.42Å
496	S	84.4	Confident	85.7	Confident	81 Å²	81	64.3 Å²	64.3	57%	0.566	36%	0.355	S	S	*	.	H	α-helix	trans	-64.5	-28.3	178.4	58.6	0	0	0	0	113.3	G494 R500	G494-S496 PolarHBondContact O-N 3.44Å; S496-R500 WeakPolarHBondContact O-CB 3.37Å; S496-R500 PolarHBondContact O-N 3.22Å; S496-R500 VanDerWaalsContact O-N 3.13Å
497	A	84.7	Confident	85.8	Confident	22 Å²	22	61.4 Å²	61.4	18%	0.182	35%	0.345	C	S	.	.	H	α-helix	trans	-72.4	-39	174	0	0	0	0	0	111.3	F492 G494 H495 R500 H501	F492-A497 HydrophobicContact CB-CB 4.15Å; F492-A497 HydrophobicContact CD1-CB 3.94Å; F492-A497 HydrophobicContact CG-CB 4.28Å; G494-A497 WeakPolarHBondContact O-CB 3.49Å; G494-A497 PolarHBondContact O-N 3.4Å; G494-A497 VanDerWaalsContact O-N 3.07Å; H495-A497 PolarHBondContact O-N 2.92Å; A497-R500 PolarHBondContact O-N 3.34Å; A497-H501 VanDerWaalsContact O-CB 3.29Å; A497-H501 WeakPolarHBondContact O-CB 3.45Å; A497-H501 PolarHBondContact O-N 2.9Å
498	L	86.6	Confident	85.9	Confident	15 Å²	15	61 Å²	61	8%	0.079	34%	0.343	C	S	.	.	H	α-helix	trans	-61.7	-53.5	173.1	170.8	61.8	0	0	0	111.5	F483 C485 F492 G494 H495 R500 H501 Q502	F483-L498 HydrophobicContact CB-CB 4.09Å; F483-L498 HydrophobicContact CB-CD2 3.92Å; C485-L498 HydrophobicContact CB-CD1 3.7Å; F492-L498 HydrophobicContact CB-CB 4.39Å; F492-L498 HydrophobicContact CD2-CB 3.9Å; F492-L498 HydrophobicContact CD2-CD1 3.87Å; F492-L498 HydrophobicContact CE2-CD1 4.05Å; F492-L498 HydrophobicContact CG-CB 4.33Å; G494-L498 PolarHBondContact O-N 3.31Å; H495-L498 WeakPolarHBondContact O-CB 3.12Å; H495-L498 PolarHBondContact O-N 2.9Å; H495-L498 VanDerWaalsContact O-N 3.12Å; L498-R500 PolarHBondContact O-N 3.21Å; L498-H501 CarbonylContact O-C 3.53Å; L498-H501 WeakPolarHBondContact O-CA 3.42Å; L498-H501 WeakPolarHBondContact O-CB 3.39Å; L498-H501 PolarHBondContact O-N 3.23Å; L498-Q502 HydrophobicContact CD1-CG 4.07Å; L498-Q502 PolarHBondContact O-N 3.2Å
499	I	87.6	Confident	85.9	Confident	79 Å²	79	65.7 Å²	65.7	41%	0.405	35%	0.353	S	S	.	.	H	α-helix	trans	-56	-43.5	178.4	-62.4	-57.3	0	0	0	110.8	H495 H501 Q502 M503	H495-I499 WeakPolarHBondContact O-CG1 3.22Å; H495-I499 PolarHBondContact O-N 3.42Å; I499-H501 VanDerWaalsContact C-N 3.26Å; I499-H501 PolarHBondContact O-N 3.43Å; I499-Q502 PolarHBondContact O-N 2.95Å; I499-M503 PolarHBondContact O-N 2.77Å
500	R	86.3	Confident	86	Confident	108 Å²	108	66.9 Å²	66.9	41%	0.408	35%	0.352	S	S	.	.	H	α-helix	trans	-66	-30.2	177.7	-176.6	173.7	67.8	-174.9	-5.2	113.5	S496 A497 L498 M503	S496-R500 WeakPolarHBondContact O-CB 3.37Å; S496-R500 PolarHBondContact O-N 3.22Å; S496-R500 VanDerWaalsContact O-N 3.13Å; A497-R500 PolarHBondContact O-N 3.34Å; L498-R500 PolarHBondContact O-N 3.21Å; R500-M503 HydrophobicContact CB-CE 4.09Å; R500-M503 HydrophobicContact CG-CE 3.83Å
501	H	87.4	Confident	86.3	Confident	21 Å²	21	67.2 Å²	67.2	10%	0.097	35%	0.349	C	S	.	.	H	α-helix	trans	-76.9	-38.4	175.2	162.7	80.3	0	0	0	111.8	C485 C488 F492 A497 L498 I499 M503 I504 H505	C485-H501 WeakPolarHBondContact CB-NE2 3.38Å; C485-H501 PolarHBondContact SG-CD2 3.03Å; C485-H501 PolarHBondContact SG-NE2 3.26Å; C488-H501 VanDerWaalsContact SG-CE1 3.5Å; C488-H501 PolarHBondContact SG-NE2 3Å; F492-H501 HydrophobicContact CE1-CB 3.86Å; F492-H501 HydrophobicContact CE2-CB 3.76Å; F492-H501 AromaticContact CE2-CD2 3.39Å; F492-H501 WeakPolarHBondContact CE2-CD2 3.39Å; F492-H501 AromaticContact CE2-CG 3.51Å; F492-H501 HydrophobicContact CZ-CB 3.32Å; F492-H501 AromaticContact CZ-CD2 3.49Å; F492-H501 VanDerWaalsContact CZ-CD2 3.49Å; F492-H501 WeakPolarHBondContact CZ-CD2 3.22Å; F492-H501 AromaticContact CZ-CG 3.11Å; F492-H501 AromaticContact CZ-ND1 3.5Å; A497-H501 VanDerWaalsContact O-CB 3.29Å; A497-H501 WeakPolarHBondContact O-CB 3.45Å; A497-H501 PolarHBondContact O-N 2.9Å; L498-H501 CarbonylContact O-C 3.53Å; L498-H501 WeakPolarHBondContact O-CA 3.42Å; L498-H501 WeakPolarHBondContact O-CB 3.39Å; L498-H501 PolarHBondContact O-N 3.23Å; I499-H501 VanDerWaalsContact C-N 3.26Å; I499-H501 PolarHBondContact O-N 3.43Å; H501-M503 PolarHBondContact O-N 3.08Å; H501-I504 WeakPolarHBondContact O-CB 3.33Å; H501-I504 VanDerWaalsContact O-CG1 3.27Å; H501-I504 WeakPolarHBondContact O-CG1 3.25Å; H501-I504 PolarHBondContact O-N 3.22Å; H501-H505 AromaticContact CE1-NE2 3.71Å; H501-H505 AromaticContact NE2-CD2 3.82Å; H501-H505 AromaticContact NE2-NE2 3.21Å; H501-H505 PolarHBondContact NE2-NE2 2.94Å
502	Q	87.2	Confident	86.5	Confident	53 Å²	53	67.7 Å²	67.7	25%	0.248	36%	0.356	C	S	.	.	H	α-helix	trans	-58	-30.7	176.2	-75.2	175.4	-27	0	0	112.5	L498 I499 I504 H505 T506	L498-Q502 HydrophobicContact CD1-CG 4.07Å; L498-Q502 PolarHBondContact O-N 3.2Å; I499-Q502 PolarHBondContact O-N 2.95Å; Q502-I504 PolarHBondContact O-N 3.5Å; Q502-I504 VanDerWaalsContact O-N 3.08Å; Q502-H505 WeakPolarHBondContact O-CB 3.3Å; Q502-H505 PolarHBondContact O-N 2.84Å; Q502-T506 PolarHBondContact O-N 3.28Å; Q502-T506 VanDerWaalsContact O-N 3.1Å
503	M	89.2	Confident	86.8	Confident	35 Å²	35	66.7 Å²	66.7	17%	0.172	35%	0.352	C	S	.	.	H	α-helix	trans	-57.1	-22.4	171.6	-69.6	-168.8	-76.5	0	0	113.6	I499 R500 H501 H505 T506 G507 E508 P510 M521	I499-M503 PolarHBondContact O-N 2.77Å; R500-M503 HydrophobicContact CB-CE 4.09Å; R500-M503 HydrophobicContact CG-CE 3.83Å; H501-M503 PolarHBondContact O-N 3.08Å; M503-H505 VanDerWaalsContact C-N 3.34Å; M503-T506 WeakPolarHBondContact CA-OG1 3.27Å; M503-T506 PolarHBondContact O-OG1 2.77Å; M503-G507 WeakPolarHBondContact O-CA 3.41Å; M503-G507 PolarHBondContact O-N 2.82Å; M503-E508 PolarHBondContact O-N 3.45Å; M503-P510 HydrophobicContact SD-CG 4.37Å; M503-M521 HydrophobicContact CB-CE 3.32Å; M503-M521 WeakPolarHBondContact CE-O 3.47Å
504	I	88.6	Confident	87.2	Confident	104 Å²	104	70.3 Å²	70.3	53%	0.533	38%	0.376	S	S	.	.	H	α-helix	trans	-68.2	-38.7	174.7	-57.6	176.1	0	0	0	110	H501 Q502 M521	H501-I504 WeakPolarHBondContact O-CB 3.33Å; H501-I504 VanDerWaalsContact O-CG1 3.27Å; H501-I504 WeakPolarHBondContact O-CG1 3.25Å; H501-I504 PolarHBondContact O-N 3.22Å; Q502-I504 PolarHBondContact O-N 3.5Å; Q502-I504 VanDerWaalsContact O-N 3.08Å; I504-M521 HydrophobicContact CB-CE 4.35Å; I504-M521 HydrophobicContact CG1-CE 3.56Å; I504-M521 HydrophobicContact CG1-SD 4.3Å
505	H	87.1	Confident	87.5	Confident	72 Å²	72	73.6 Å²	73.6	33%	0.333	39%	0.39	S	S	.	.	H	α-helix	trans	-78.2	-39.2	-179.4	-63.6	-58.2	0	0	0	112.7	C485 Q487 C488 H501 Q502 M503 G507	C485-H505 VanDerWaalsContact SG-CD2 3.54Å; C485-H505 PolarHBondContact SG-NE2 3.47Å; C485-H505 VanDerWaalsContact SG-NE2 3.45Å; Q487-H505 PolarHBondContact OE1-CD2 3.49Å; C488-H505 PolarHBondContact SG-NE2 3.43Å; C488-H505 VanDerWaalsContact SG-NE2 3.36Å; H501-H505 AromaticContact CE1-NE2 3.71Å; H501-H505 AromaticContact NE2-CD2 3.82Å; H501-H505 AromaticContact NE2-NE2 3.21Å; H501-H505 PolarHBondContact NE2-NE2 2.94Å; Q502-H505 WeakPolarHBondContact O-CB 3.3Å; Q502-H505 PolarHBondContact O-N 2.84Å; M503-H505 VanDerWaalsContact C-N 3.34Å; H505-G507 PolarHBondContact O-N 3.16Å
506	T	86.8	Confident	87.8	Confident	77 Å²	77	70.4 Å²	70.4	47%	0.472	38%	0.379	S	S	.	.	H	α-helix	trans	-72.5	-20	174.8	63.8	0	0	0	0	111.8	Q502 M503 E508	Q502-T506 PolarHBondContact O-N 3.28Å; Q502-T506 VanDerWaalsContact O-N 3.1Å; M503-T506 WeakPolarHBondContact CA-OG1 3.27Å; M503-T506 PolarHBondContact O-OG1 2.77Å; T506-E508 PolarHBondContact O-N 3.18Å; T506-E508 WeakPolarHBondContact OG1-CB 3.12Å; T506-E508 WeakPolarHBondContact OG1-CG 3.35Å; T506-E508 PolarHBondContact OG1-N 2.94Å
507	G	86.7	Confident	88	Confident	47 Å²	47	72.6 Å²	72.6	49%	0.485	40%	0.395	S	S	.	.			trans	70.2	6.3	-173.6	0	0	0	0	0	113.3	M503 H505 R509	M503-G507 WeakPolarHBondContact O-CA 3.41Å; M503-G507 PolarHBondContact O-N 2.82Å; H505-G507 PolarHBondContact O-N 3.16Å; G507-R509 PolarHBondContact O-N 3.49Å
508	E	86	Confident	88.2	Confident	116 Å²	116	76 Å²	76	54%	0.542	41%	0.405	S	S	.	.			trans	-62.2	128.8	-177.1	-76.5	177.8	-169.7	0	0	111.3	M503 T506	M503-E508 PolarHBondContact O-N 3.45Å; T506-E508 PolarHBondContact O-N 3.18Å; T506-E508 WeakPolarHBondContact OG1-CB 3.12Å; T506-E508 WeakPolarHBondContact OG1-CG 3.35Å; T506-E508 PolarHBondContact OG1-N 2.94Å
509	R	88.1	Confident	88.4	Confident	151 Å²	151	77 Å²	77	57%	0.57	41%	0.413	S	S	*	.			trans	-127.1	77.7	178.1	-72.1	165.2	171.9	-135.1	13	109.1	G507 Y511 S519 F520 M521	G507-R509 PolarHBondContact O-N 3.49Å; R509-Y511 PolarHBondContact O-N 3.42Å; R509-S519 VanDerWaalsContact CD-O 3.31Å; R509-S519 WeakPolarHBondContact CD-O 3.5Å; R509-S519 PolarHBondContact NH1-O 3.22Å; R509-F520 CarbonylContact C-O 3.6Å; R509-F520 VanDerWaalsContact C-O 3.3Å; R509-F520 WeakPolarHBondContact CA-O 3.47Å; R509-M521 HydrophobicContact CG-CG 4Å
510	P	87.3	Confident	88.4	Confident	72 Å²	72	75 Å²	75	47%	0.468	40%	0.402	S	S	.	.			trans	-67.1	-8.9	-170.6	-20.8	33.7	0	0	0	114.5	M503 P512	M503-P510 HydrophobicContact SD-CG 4.37Å; P510-P512 VanDerWaalsContact C-CD 3.46Å; P510-P512 WeakPolarHBondContact O-CD 3.42Å
511	Y	90.4	Very high	88.5	Confident	89 Å²	89	72 Å²	72	35%	0.349	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	81.6	-173.1	-54.8	-79.3	0	0	0	110.6	R509 F520 M521 R522 K523	R509-Y511 PolarHBondContact O-N 3.42Å; Y511-F520 WeakPolarHBondContact CB-O 3.49Å; Y511-F520 WeakPolarHBondContact CD2-O 3.39Å; Y511-F520 PolarHBondContact N-O 2.93Å; Y511-F520 VanDerWaalsContact N-O 3.08Å; Y511-F520 PolarHBondContact O-N 3.5Å; Y511-M521 WeakPolarHBondContact CE2-O 3.5Å; Y511-R522 VanDerWaalsContact CD2-C 3.49Å; Y511-K523 HydrophobicContact CD1-CB 3.87Å; Y511-K523 HydrophobicContact CD1-CG 4.26Å; Y511-K523 HydrophobicContact CE1-CB 3.65Å; Y511-K523 HydrophobicContact CE1-CD 4.42Å; Y511-K523 HydrophobicContact CE1-CG 4.2Å; Y511-K523 HydrophobicContact CG-CB 4.38Å
512	P	90.7	Very high	88.5	Confident	79 Å²	79	75.6 Å²	75.6	51%	0.513	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	145.4	174.6	29.7	-34.4	0	0	0	111.7	P510 S519 L526	P510-P512 VanDerWaalsContact C-CD 3.46Å; P510-P512 WeakPolarHBondContact O-CD 3.42Å; P512-S519 WeakPolarHBondContact CA-OG 3.46Å; P512-L526 WeakPolarHBondContact O-CD2 3.45Å
513	C	90.1	Very high	88.6	Confident	11 Å²	11	80.2 Å²	80.2	7%	0.074	43%	0.425	C	S	.	.			trans	-79.9	139.2	164.5	-166.1	0	0	0	0	109.5	C516 K518 L526 H529	C513-C516 CarbonylContact C-O 3.4Å; C513-K518 VanDerWaalsContact CB-O 3.23Å; C513-K518 WeakPolarHBondContact CB-O 3.42Å; C513-K518 PolarHBondContact N-O 2.93Å; C513-L526 HydrophobicContact CB-CD1 3.85Å; C513-H529 PolarHBondContact SG-CD2 3.21Å; C513-H529 PolarHBondContact SG-NE2 3.47Å; C513-H529 VanDerWaalsContact SG-NE2 3.4Å
514	T	89.9	Confident	88.5	Confident	121 Å²	121	83.4 Å²	83.4	74%	0.742	44%	0.44	S	S	*	.	S	Bend	trans	-80.6	-25.7	174.7	50.5	0	0	0	0	112.1
515	D	87.9	Confident	88.5	Confident	85 Å²	85	82 Å²	82	46%	0.455	43%	0.43	S	S	.	.	S	Bend	trans	-94.2	-9.8	-171.7	-48.1	-31.1	0	0	0	112	H533	D515-H533 HydrophobicContact CB-CB 4.21Å; D515-H533 IonicContact OD2-CD2 2.77Å; D515-H533 IonicContact OD2-CG 3.39Å
516	C	90.7	Very high	88.7	Confident	40 Å²	40	79.8 Å²	79.8	27%	0.27	42%	0.421	S	S	.	.	S	Bend	trans	-155.8	169.1	171.2	70.6	0	0	0	0	111.7	C513 K518 H529 H533	C513-C516 CarbonylContact C-O 3.4Å; C516-K518 PolarHBondContact O-N 3.44Å; C516-H529 VanDerWaalsContact SG-CE1 3.6Å; C516-H529 PolarHBondContact SG-NE2 3.29Å; C516-H533 PolarHBondContact SG-NE2 3.21Å; C516-H533 VanDerWaalsContact SG-NE2 3.41Å
517	S	88.2	Confident	88.8	Confident	128 Å²	128	80.2 Å²	80.2	90%	0.895	42%	0.42	S	S	*	.	S	Bend	trans	-72.3	8.2	-179.6	55.1	0	0	0	0	115.4
518	K	89.5	Confident	88.9	Confident	93 Å²	93	78.8 Å²	78.8	40%	0.404	40%	0.401	S	S	.	.			trans	-84.1	128.8	-178.8	-67.1	-176.3	174.6	-177.1	0	111.2	C513 C516 F520 E628	C513-K518 VanDerWaalsContact CB-O 3.23Å; C513-K518 WeakPolarHBondContact CB-O 3.42Å; C513-K518 PolarHBondContact N-O 2.93Å; C516-K518 PolarHBondContact O-N 3.44Å; K518-F520 HydrophobicContact CB-CE2 4Å; K518-F520 HydrophobicContact CB-CZ 4.02Å; K518-E628 IonicContact NZ-OE2 3.91Å; K518-E628 PolarHBondContact NZ-OE2 3.34Å
519	S	90.2	Very high	89.1	Confident	35 Å²	35	73.7 Å²	73.7	25%	0.245	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	146.6	171.5	-54.9	0	0	0	0	112	R509 P512	R509-S519 VanDerWaalsContact CD-O 3.31Å; R509-S519 WeakPolarHBondContact CD-O 3.5Å; R509-S519 PolarHBondContact NH1-O 3.22Å; P512-S519 WeakPolarHBondContact CA-OG 3.46Å
520	F	88.5	Confident	89.1	Confident	39 Å²	39	71.5 Å²	71.5	17%	0.171	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	151.4	-175	-58.9	-89	0	0	0	111.8	R509 Y511 K518 R522 H525 L526 H529	R509-F520 CarbonylContact C-O 3.6Å; R509-F520 VanDerWaalsContact C-O 3.3Å; R509-F520 WeakPolarHBondContact CA-O 3.47Å; Y511-F520 WeakPolarHBondContact CB-O 3.49Å; Y511-F520 WeakPolarHBondContact CD2-O 3.39Å; Y511-F520 PolarHBondContact N-O 2.93Å; Y511-F520 VanDerWaalsContact N-O 3.08Å; Y511-F520 PolarHBondContact O-N 3.5Å; K518-F520 HydrophobicContact CB-CE2 4Å; K518-F520 HydrophobicContact CB-CZ 4.02Å; F520-R522 VanDerWaalsContact C-N 3.34Å; F520-H525 HydrophobicContact CB-CB 4.14Å; F520-H525 HydrophobicContact CD1-CB 3.87Å; F520-H525 HydrophobicContact CG-CB 4.22Å; F520-L526 HydrophobicContact CB-CB 4.34Å; F520-L526 HydrophobicContact CD2-CB 3.97Å; F520-L526 HydrophobicContact CD2-CD1 3.94Å; F520-L526 HydrophobicContact CE2-CD1 4.22Å; F520-L526 HydrophobicContact CG-CB 4.38Å; F520-H529 HydrophobicContact CE1-CB 4.06Å; F520-H529 HydrophobicContact CE2-CB 3.71Å; F520-H529 AromaticContact CE2-CD2 3.29Å; F520-H529 WeakPolarHBondContact CE2-CD2 3.47Å; F520-H529 AromaticContact CE2-CG 3.43Å; F520-H529 VanDerWaalsContact CE2-CG 3.43Å; F520-H529 AromaticContact CE2-NE2 3.92Å; F520-H529 HydrophobicContact CZ-CB 3.43Å; F520-H529 VanDerWaalsContact CZ-CB 3.43Å; F520-H529 AromaticContact CZ-CD2 3.54Å; F520-H529 AromaticContact CZ-CG 3.18Å; F520-H529 AromaticContact CZ-ND1 3.54Å
521	M	87.3	Confident	89.3	Confident	43 Å²	43	70.3 Å²	70.3	21%	0.212	36%	0.356	C	S	.	.	S	Bend	trans	-78.4	-17.6	175.6	-56.9	166.9	68.4	0	0	113.4	M503 I504 R509 Y511	M503-M521 HydrophobicContact CB-CE 3.32Å; M503-M521 WeakPolarHBondContact CE-O 3.47Å; I504-M521 HydrophobicContact CB-CE 4.35Å; I504-M521 HydrophobicContact CG1-CE 3.56Å; I504-M521 HydrophobicContact CG1-SD 4.3Å; R509-M521 HydrophobicContact CG-CG 4Å; Y511-M521 WeakPolarHBondContact CE2-O 3.5Å
522	R	87.6	Confident	89.2	Confident	97 Å²	97	70.4 Å²	70.4	37%	0.366	36%	0.361	S	S	.	.	S	Bend	trans	-131.8	135.7	-177.1	-51.9	-174.4	-163.7	170.3	-4.6	110.6	Y511 F520 E524 H525 L526	Y511-R522 VanDerWaalsContact CD2-C 3.49Å; F520-R522 VanDerWaalsContact C-N 3.34Å; R522-E524 PolarHBondContact O-N 2.98Å; R522-H525 HydrophobicContact CB-CB 4.45Å; R522-H525 WeakPolarHBondContact CD-NE2 3.47Å; R522-H525 WeakPolarHBondContact O-CB 3.49Å; R522-H525 PolarHBondContact O-N 3.15Å; R522-L526 PolarHBondContact O-N 3.06Å; R522-L526 VanDerWaalsContact O-N 3.14Å
523	K	89.5	Confident	89.2	Confident	151 Å²	151	70.5 Å²	70.5	66%	0.657	36%	0.355	S	S	*	.	H	α-helix	trans	-53.9	-37.5	175	-169.8	172.1	-178.7	172.8	0	113.3	Y511 H525 L526 L527	Y511-K523 HydrophobicContact CD1-CB 3.87Å; Y511-K523 HydrophobicContact CD1-CG 4.26Å; Y511-K523 HydrophobicContact CE1-CB 3.65Å; Y511-K523 HydrophobicContact CE1-CD 4.42Å; Y511-K523 HydrophobicContact CE1-CG 4.2Å; Y511-K523 HydrophobicContact CG-CB 4.38Å; K523-H525 VanDerWaalsContact C-N 3.34Å; K523-L526 PolarHBondContact O-N 2.96Å; K523-L527 WeakPolarHBondContact O-CB 3.49Å; K523-L527 PolarHBondContact O-N 2.99Å
524	E	86.9	Confident	89.2	Confident	102 Å²	102	73.3 Å²	73.3	48%	0.477	37%	0.372	S	S	.	.	H	α-helix	trans	-66.4	-35.8	177.7	-177.1	-177.8	157.7	0	0	112.6	R522 L527 N528	R522-E524 PolarHBondContact O-N 2.98Å; E524-L527 PolarHBondContact O-N 2.91Å; E524-N528 WeakPolarHBondContact O-CB 3.38Å; E524-N528 PolarHBondContact O-N 3.44Å; E524-N528 PolarHBondContact O-ND2 3.39Å
525	H	89.3	Confident	89.1	Confident	73 Å²	73	69.1 Å²	69.1	34%	0.338	35%	0.353	S	S	.	.	H	α-helix	trans	-69.1	-41.8	175.9	-63.3	-28.5	0	0	0	110.7	F520 R522 K523 N528 H529	F520-H525 HydrophobicContact CB-CB 4.14Å; F520-H525 HydrophobicContact CD1-CB 3.87Å; F520-H525 HydrophobicContact CG-CB 4.22Å; R522-H525 HydrophobicContact CB-CB 4.45Å; R522-H525 WeakPolarHBondContact CD-NE2 3.47Å; R522-H525 WeakPolarHBondContact O-CB 3.49Å; R522-H525 PolarHBondContact O-N 3.15Å; K523-H525 VanDerWaalsContact C-N 3.34Å; H525-N528 PolarHBondContact O-N 3.24Å; H525-H529 VanDerWaalsContact O-CB 3.23Å; H525-H529 WeakPolarHBondContact O-CB 3.4Å; H525-H529 PolarHBondContact O-N 3.28Å
526	L	90.5	Very high	89.1	Confident	26 Å²	26	70.5 Å²	70.5	14%	0.136	36%	0.357	C	S	.	.	H	α-helix	trans	-58.2	-48.8	171	172.8	62.9	0	0	0	111.6	P512 C513 F520 R522 K523 N528 H529 R530	P512-L526 WeakPolarHBondContact O-CD2 3.45Å; C513-L526 HydrophobicContact CB-CD1 3.85Å; F520-L526 HydrophobicContact CB-CB 4.34Å; F520-L526 HydrophobicContact CD2-CB 3.97Å; F520-L526 HydrophobicContact CD2-CD1 3.94Å; F520-L526 HydrophobicContact CE2-CD1 4.22Å; F520-L526 HydrophobicContact CG-CB 4.38Å; R522-L526 PolarHBondContact O-N 3.06Å; R522-L526 VanDerWaalsContact O-N 3.14Å; K523-L526 PolarHBondContact O-N 2.96Å; L526-N528 VanDerWaalsContact C-N 3.34Å; L526-N528 PolarHBondContact O-N 2.97Å; L526-H529 CarbonylContact O-C 3.49Å; L526-H529 WeakPolarHBondContact O-CA 3.45Å; L526-H529 WeakPolarHBondContact O-CB 3.36Å; L526-H529 PolarHBondContact O-N 3.29Å; L526-R530 HydrophobicContact CD1-CG 4.07Å; L526-R530 HydrophobicContact CG-CG 4.48Å; L526-R530 PolarHBondContact O-N 3.01Å
527	L	90	Very high	89.1	Confident	86 Å²	86	75.5 Å²	75.5	45%	0.45	37%	0.37	S	S	.	.	H	α-helix	trans	-60.3	-44.6	-179.4	-177	65.4	0	0	0	111.8	K523 E524 H529 R530 R531	K523-L527 WeakPolarHBondContact O-CB 3.49Å; K523-L527 PolarHBondContact O-N 2.99Å; E524-L527 PolarHBondContact O-N 2.91Å; L527-H529 VanDerWaalsContact C-N 3.26Å; L527-H529 PolarHBondContact O-N 2.82Å; L527-R530 PolarHBondContact O-N 2.83Å; L527-R531 PolarHBondContact O-N 2.88Å
528	N	88.3	Confident	89.1	Confident	18 Å²	18	72.8 Å²	72.8	10%	0.096	35%	0.349	C	S	.	.	H	α-helix	trans	-66.9	-29.6	175.8	-75.6	-49.8	0	0	0	112.7	E524 H525 L526 R531	E524-N528 WeakPolarHBondContact O-CB 3.38Å; E524-N528 PolarHBondContact O-N 3.44Å; E524-N528 PolarHBondContact O-ND2 3.39Å; H525-N528 PolarHBondContact O-N 3.24Å; L526-N528 VanDerWaalsContact C-N 3.34Å; L526-N528 PolarHBondContact O-N 2.97Å; N528-R531 PolarHBondContact OD1-NH1 3.25Å
529	H	90	Very high	89.3	Confident	9 Å²	9	71.3 Å²	71.3	4%	0.042	34%	0.343	C	S	.	.	H	α-helix	trans	-73.6	-42.2	175.4	167.8	74.5	0	0	0	111.6	C513 C516 F520 H525 L526 L527 R531 L532 H533	C513-H529 PolarHBondContact SG-CD2 3.21Å; C513-H529 PolarHBondContact SG-NE2 3.47Å; C513-H529 VanDerWaalsContact SG-NE2 3.4Å; C516-H529 VanDerWaalsContact SG-CE1 3.6Å; C516-H529 PolarHBondContact SG-NE2 3.29Å; F520-H529 HydrophobicContact CE1-CB 4.06Å; F520-H529 HydrophobicContact CE2-CB 3.71Å; F520-H529 AromaticContact CE2-CD2 3.29Å; F520-H529 WeakPolarHBondContact CE2-CD2 3.47Å; F520-H529 AromaticContact CE2-CG 3.43Å; F520-H529 VanDerWaalsContact CE2-CG 3.43Å; F520-H529 AromaticContact CE2-NE2 3.92Å; F520-H529 HydrophobicContact CZ-CB 3.43Å; F520-H529 VanDerWaalsContact CZ-CB 3.43Å; F520-H529 AromaticContact CZ-CD2 3.54Å; F520-H529 AromaticContact CZ-CG 3.18Å; F520-H529 AromaticContact CZ-ND1 3.54Å; H525-H529 VanDerWaalsContact O-CB 3.23Å; H525-H529 WeakPolarHBondContact O-CB 3.4Å; H525-H529 PolarHBondContact O-N 3.28Å; L526-H529 CarbonylContact O-C 3.49Å; L526-H529 WeakPolarHBondContact O-CA 3.45Å; L526-H529 WeakPolarHBondContact O-CB 3.36Å; L526-H529 PolarHBondContact O-N 3.29Å; L527-H529 VanDerWaalsContact C-N 3.26Å; L527-H529 PolarHBondContact O-N 2.82Å; H529-R531 PolarHBondContact O-N 3.29Å; H529-L532 WeakPolarHBondContact O-CA 3.36Å; H529-L532 WeakPolarHBondContact O-CB 3.47Å; H529-L532 WeakPolarHBondContact O-CG 3.38Å; H529-L532 PolarHBondContact O-N 2.97Å; H529-H533 AromaticContact CE1-NE2 3.56Å; H529-H533 AromaticContact NE2-CD2 3.75Å; H529-H533 AromaticContact NE2-NE2 3.16Å; H529-H533 PolarHBondContact NE2-NE2 2.92Å; H529-H533 VanDerWaalsContact NE2-NE2 3.16Å
530	R	88.9	Confident	89.4	Confident	105 Å²	105	72.9 Å²	72.9	40%	0.396	35%	0.354	S	S	.	.	H	α-helix	trans	-56.4	-32.4	174.5	-75.2	-173.8	66.8	-134.2	-2.9	113	L526 L527 L532 H533 T534	L526-R530 HydrophobicContact CD1-CG 4.07Å; L526-R530 HydrophobicContact CG-CG 4.48Å; L526-R530 PolarHBondContact O-N 3.01Å; L527-R530 PolarHBondContact O-N 2.83Å; R530-L532 PolarHBondContact O-N 3.45Å; R530-H533 WeakPolarHBondContact O-CA 3.29Å; R530-H533 WeakPolarHBondContact O-CB 3.12Å; R530-H533 PolarHBondContact O-N 3.33Å; R530-T534 PolarHBondContact O-N 3.42Å
531	R	90.8	Very high	89.6	Confident	47 Å²	47	71.1 Å²	71.1	18%	0.177	35%	0.346	C	S	.	.	H	α-helix	trans	-61.4	-20.3	172.6	-68.8	177.8	-176.3	171.5	2.3	114.2	L527 N528 H529 T534 G535 E536 I549	L527-R531 PolarHBondContact O-N 2.88Å; N528-R531 PolarHBondContact OD1-NH1 3.25Å; H529-R531 PolarHBondContact O-N 3.29Å; R531-T534 WeakPolarHBondContact CA-OG1 3.18Å; R531-G535 CarbonylContact O-C 3.51Å; R531-G535 WeakPolarHBondContact O-CA 3.39Å; R531-G535 PolarHBondContact O-N 2.93Å; R531-E536 HydrophobicContact CB-CB 4.49Å; R531-E536 HydrophobicContact CG-CB 4.27Å; R531-E536 PolarHBondContact O-N 2.88Å; R531-I549 HydrophobicContact CB-CD1 4.48Å; R531-I549 HydrophobicContact CB-CG1 4.46Å; R531-I549 HydrophobicContact CB-CG2 3.6Å; R531-I549 HydrophobicContact CG-CG2 4.31Å; R531-I549 PolarHBondContact NH1-O 3.19Å
532	L	89.3	Confident	89.7	Confident	90 Å²	90	73.9 Å²	73.9	47%	0.471	37%	0.367	S	S	.	.	H	α-helix	trans	-72.7	-34.7	171.3	-61.6	163.8	0	0	0	111.3	H529 R530 I549	H529-L532 WeakPolarHBondContact O-CA 3.36Å; H529-L532 WeakPolarHBondContact O-CB 3.47Å; H529-L532 WeakPolarHBondContact O-CG 3.38Å; H529-L532 PolarHBondContact O-N 2.97Å; R530-L532 PolarHBondContact O-N 3.45Å; L532-I549 HydrophobicContact CD2-CD1 3.27Å; L532-I549 HydrophobicContact CG-CD1 3.93Å
533	H	89.8	Confident	89.8	Confident	81 Å²	81	75.4 Å²	75.4	38%	0.375	38%	0.378	S	S	.	.	H	α-helix	trans	-75	-46	176	-65.9	-68.5	0	0	0	111.8	D515 C516 H529 R530 G535	D515-H533 HydrophobicContact CB-CB 4.21Å; D515-H533 IonicContact OD2-CD2 2.77Å; D515-H533 IonicContact OD2-CG 3.39Å; C516-H533 PolarHBondContact SG-NE2 3.21Å; C516-H533 VanDerWaalsContact SG-NE2 3.41Å; H529-H533 AromaticContact CE1-NE2 3.56Å; H529-H533 AromaticContact NE2-CD2 3.75Å; H529-H533 AromaticContact NE2-NE2 3.16Å; H529-H533 PolarHBondContact NE2-NE2 2.92Å; H529-H533 VanDerWaalsContact NE2-NE2 3.16Å; R530-H533 WeakPolarHBondContact O-CA 3.29Å; R530-H533 WeakPolarHBondContact O-CB 3.12Å; R530-H533 PolarHBondContact O-N 3.33Å; H533-G535 VanDerWaalsContact C-N 3.26Å; H533-G535 PolarHBondContact O-N 3.17Å
534	T	89.1	Confident	89.9	Confident	71 Å²	71	70.5 Å²	70.5	44%	0.436	36%	0.363	S	S	.	.	H	α-helix	trans	-75.7	-16.6	179.3	64.1	0	0	0	0	113.1	R530 R531 E536	R530-T534 PolarHBondContact O-N 3.42Å; R531-T534 WeakPolarHBondContact CA-OG1 3.18Å; T534-E536 PolarHBondContact O-N 3.38Å; T534-E536 WeakPolarHBondContact OG1-CB 3.12Å; T534-E536 WeakPolarHBondContact OG1-CG 3.35Å; T534-E536 PolarHBondContact OG1-N 2.97Å
535	G	88.1	Confident	90	Very high	33 Å²	33	68.2 Å²	68.2	34%	0.34	37%	0.366	S	S	.	.			trans	72.9	2.9	-174.4	0	0	0	0	0	114.5	R531 H533 R537	R531-G535 CarbonylContact O-C 3.51Å; R531-G535 WeakPolarHBondContact O-CA 3.39Å; R531-G535 PolarHBondContact O-N 2.93Å; H533-G535 VanDerWaalsContact C-N 3.26Å; H533-G535 PolarHBondContact O-N 3.17Å; G535-R537 PolarHBondContact O-N 3.02Å; G535-R537 PolarHBondContact O-NH1 2.75Å
536	E	89.2	Confident	90.1	Very high	114 Å²	114	68.5 Å²	68.5	53%	0.533	37%	0.366	S	S	.	.			trans	-60.3	124.8	-179.9	-77.2	179.8	-171.5	0	0	111.9	R531 T534	R531-E536 HydrophobicContact CB-CB 4.49Å; R531-E536 HydrophobicContact CG-CB 4.27Å; R531-E536 PolarHBondContact O-N 2.88Å; T534-E536 PolarHBondContact O-N 3.38Å; T534-E536 WeakPolarHBondContact OG1-CB 3.12Å; T534-E536 WeakPolarHBondContact OG1-CG 3.35Å; T534-E536 PolarHBondContact OG1-N 2.97Å
537	R	90.5	Very high	90.2	Very high	145 Å²	145	69.5 Å²	69.5	55%	0.547	38%	0.376	S	S	.	.			trans	-126.4	82.6	178.2	-70.4	169	168.7	98.2	-5.6	110	G535 F539 S547 F548 I549	G535-R537 PolarHBondContact O-N 3.02Å; G535-R537 PolarHBondContact O-NH1 2.75Å; R537-F539 PolarHBondContact O-N 2.74Å; R537-S547 VanDerWaalsContact CB-CB 3.45Å; R537-S547 WeakPolarHBondContact CD-O 3.36Å; R537-S547 WeakPolarHBondContact O-CB 3.34Å; R537-F548 CarbonylContact C-O 3.56Å; R537-I549 HydrophobicContact CG-CG1 3.9Å
538	P	88.8	Confident	90.2	Very high	71 Å²	71	67.4 Å²	67.4	46%	0.461	36%	0.363	S	S	.	.			trans	-67.3	-19.4	-171.9	-22.1	34	0	0	0	114.7
539	F	92	Very high	90.3	Very high	62 Å²	62	67.5 Å²	67.5	27%	0.272	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	92.4	-171.8	-56.6	-76.3	0	0	0	110.7	R537 S547 F548 I549 K551 L554	R537-F539 PolarHBondContact O-N 2.74Å; F539-S547 CarbonylContact O-C 3.56Å; F539-S547 WeakPolarHBondContact O-CA 3.4Å; F539-F548 HydrophobicContact CB-CB 4.47Å; F539-F548 WeakPolarHBondContact CB-O 3.37Å; F539-F548 PolarHBondContact N-O 3.14Å; F539-F548 VanDerWaalsContact N-O 3.09Å; F539-F548 PolarHBondContact O-N 3.33Å; F539-I549 WeakPolarHBondContact CD2-O 3.49Å; F539-I549 WeakPolarHBondContact CE2-O 3.34Å; F539-K551 HydrophobicContact CD1-CB 4.04Å; F539-K551 HydrophobicContact CD1-CG 4.3Å; F539-K551 HydrophobicContact CE1-CB 3.82Å; F539-K551 HydrophobicContact CE1-CG 4.2Å; F539-K551 HydrophobicContact CE2-CB 4.35Å; F539-K551 HydrophobicContact CG-CB 4.4Å; F539-K551 HydrophobicContact CZ-CB 3.98Å; F539-L554 HydrophobicContact CB-CB 4.15Å; F539-L554 HydrophobicContact CB-CD2 3.92Å
540	S	93.4	Very high	90.3	Very high	68 Å²	68	70.5 Å²	70.5	48%	0.476	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	143.3	176.3	54.1	0	0	0	0	112.3	S547 L554	S540-S547 WeakPolarHBondContact CB-OG 3.4Å; S540-L554 WeakPolarHBondContact O-CD2 3.42Å
541	C	92.1	Very high	90.4	Very high	2 Å²	2	68.9 Å²	68.9	1%	0.014	37%	0.37	C	S	.	.			trans	-82.4	124.5	171.4	-176.4	0	0	0	0	110.1	H543 G545 K546 F548 L554 H561	C541-H543 PolarHBondContact O-N 3.37Å; C541-G545 WeakPolarHBondContact O-CA 3.24Å; C541-G545 PolarHBondContact O-N 2.75Å; C541-K546 WeakPolarHBondContact CB-O 3.49Å; C541-K546 PolarHBondContact N-O 3.28Å; C541-F548 HydrophobicContact CB-CE2 4.44Å; C541-L554 VanDerWaalsContact CA-CD1 3.5Å; C541-L554 HydrophobicContact CB-CD1 3.57Å; C541-H561 VanDerWaalsContact SG-CD2 3.51Å; C541-H561 PolarHBondContact SG-NE2 2.9Å; C541-H561 VanDerWaalsContact SG-NE2 3.41Å
542	P	90.5	Very high	90.3	Very high	100 Å²	100	71.1 Å²	71.1	65%	0.649	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-23.9	-178.6	26.4	-34.5	0	0	0	113.2
543	H	88.7	Confident	90.4	Very high	129 Å²	129	70.2 Å²	70.2	60%	0.597	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-29	-176.1	-60.1	-67.6	0	0	0	114.4	C541 H561	C541-H543 PolarHBondContact O-N 3.37Å; H543-H561 HydrophobicContact CB-CB 4.35Å; H543-H561 AromaticContact CD2-CD2 3.93Å
544	C	91.3	Very high	90.5	Very high	49 Å²	49	67 Å²	67	33%	0.331	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.9	2.2	-174.7	68.9	0	0	0	0	114.5	K546 H557 H561	C544-K546 PolarHBondContact O-N 2.96Å; C544-K546 VanDerWaalsContact SG-CB 3.59Å; C544-K546 VanDerWaalsContact SG-CG 3.6Å; C544-H557 PolarHBondContact SG-NE2 2.9Å; C544-H561 PolarHBondContact SG-NE2 3.25Å; C544-H561 VanDerWaalsContact SG-NE2 3.41Å
545	G	89.9	Confident	90.5	Very high	53 Å²	53	67.4 Å²	67.4	55%	0.546	36%	0.359	S	S	.	.			trans	68.8	-4.2	-178.6	0	0	0	0	0	115.2	C541 S547	C541-G545 WeakPolarHBondContact O-CA 3.24Å; C541-G545 PolarHBondContact O-N 2.75Å; G545-S547 PolarHBondContact O-N 3.13Å; G545-S547 PolarHBondContact O-OG 2.93Å
546	K	91.6	Very high	90.6	Very high	80 Å²	80	70.5 Å²	70.5	35%	0.348	36%	0.363	S	S	.	.			trans	-63.5	127.1	178.7	-69.1	-178.3	-178.9	-179.3	0	110.1	C541 C544 F548	C541-K546 WeakPolarHBondContact CB-O 3.49Å; C541-K546 PolarHBondContact N-O 3.28Å; C544-K546 PolarHBondContact O-N 2.96Å; C544-K546 VanDerWaalsContact SG-CB 3.59Å; C544-K546 VanDerWaalsContact SG-CG 3.6Å; K546-F548 HydrophobicContact CB-CE2 4.02Å; K546-F548 HydrophobicContact CB-CZ 4.06Å; K546-F548 VanDerWaalsContact O-CE2 3.32Å; K546-F548 WeakPolarHBondContact O-CE2 2.93Å
547	S	91.3	Very high	90.6	Very high	47 Å²	47	65.9 Å²	65.9	33%	0.329	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	145	-179.1	-56.4	0	0	0	0	112.3	R537 F539 S540 G545	R537-S547 VanDerWaalsContact CB-CB 3.45Å; R537-S547 WeakPolarHBondContact CD-O 3.36Å; R537-S547 WeakPolarHBondContact O-CB 3.34Å; F539-S547 CarbonylContact O-C 3.56Å; F539-S547 WeakPolarHBondContact O-CA 3.4Å; S540-S547 WeakPolarHBondContact CB-OG 3.4Å; G545-S547 PolarHBondContact O-N 3.13Å; G545-S547 PolarHBondContact O-OG 2.93Å
548	F	90.9	Very high	90.6	Very high	42 Å²	42	61.2 Å²	61.2	18%	0.184	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	151.2	-176.4	-58.4	-86.6	0	0	0	110.8	R537 F539 C541 K546 H553 L554 H557	R537-F548 CarbonylContact C-O 3.56Å; F539-F548 HydrophobicContact CB-CB 4.47Å; F539-F548 WeakPolarHBondContact CB-O 3.37Å; F539-F548 PolarHBondContact N-O 3.14Å; F539-F548 VanDerWaalsContact N-O 3.09Å; F539-F548 PolarHBondContact O-N 3.33Å; C541-F548 HydrophobicContact CB-CE2 4.44Å; K546-F548 HydrophobicContact CB-CE2 4.02Å; K546-F548 HydrophobicContact CB-CZ 4.06Å; K546-F548 VanDerWaalsContact O-CE2 3.32Å; K546-F548 WeakPolarHBondContact O-CE2 2.93Å; F548-H553 HydrophobicContact CB-CB 4.1Å; F548-H553 HydrophobicContact CD1-CB 3.91Å; F548-H553 HydrophobicContact CG-CB 4.2Å; F548-L554 HydrophobicContact CB-CB 4.38Å; F548-L554 HydrophobicContact CD2-CB 3.83Å; F548-L554 HydrophobicContact CD2-CD1 3.88Å; F548-L554 HydrophobicContact CD2-CG 4.47Å; F548-L554 HydrophobicContact CE2-CD1 4.02Å; F548-L554 HydrophobicContact CG-CB 4.32Å; F548-H557 HydrophobicContact CE1-CB 4.02Å; F548-H557 HydrophobicContact CE2-CB 3.7Å; F548-H557 AromaticContact CE2-CD2 3.55Å; F548-H557 AromaticContact CE2-CG 3.54Å; F548-H557 HydrophobicContact CZ-CB 3.37Å; F548-H557 AromaticContact CZ-CD2 3.65Å; F548-H557 AromaticContact CZ-CG 3.2Å; F548-H557 AromaticContact CZ-ND1 3.6Å
549	I	89.7	Confident	90.7	Very high	20 Å²	20	59.9 Å²	59.9	10%	0.103	31%	0.311	C	S	.	.	S	Bend	trans	-74.2	-31.6	178.5	-64.2	177.4	0	0	0	111.8	R531 L532 R537 F539	R531-I549 HydrophobicContact CB-CD1 4.48Å; R531-I549 HydrophobicContact CB-CG1 4.46Å; R531-I549 HydrophobicContact CB-CG2 3.6Å; R531-I549 HydrophobicContact CG-CG2 4.31Å; R531-I549 PolarHBondContact NH1-O 3.19Å; L532-I549 HydrophobicContact CD2-CD1 3.27Å; L532-I549 HydrophobicContact CG-CD1 3.93Å; R537-I549 HydrophobicContact CG-CG1 3.9Å; F539-I549 WeakPolarHBondContact CD2-O 3.49Å; F539-I549 WeakPolarHBondContact CE2-O 3.34Å
550	R	91.2	Very high	90.7	Very high	71 Å²	71	59 Å²	59	27%	0.268	31%	0.309	S	S	.	.	S	Bend	trans	-126.2	137.5	-174.2	-56.8	-176.8	-171.2	141.4	0.8	111	H552 H553 L554	R550-H552 VanDerWaalsContact C-N 3.32Å; R550-H552 VanDerWaalsContact CD-CE1 3.46Å; R550-H552 WeakPolarHBondContact CD-CE1 3.17Å; R550-H552 PolarHBondContact O-N 3.23Å; R550-H553 WeakPolarHBondContact O-CB 3.11Å; R550-H553 PolarHBondContact O-N 3.42Å; R550-L554 PolarHBondContact O-N 2.9Å
551	K	90.3	Very high	90.5	Very high	72 Å²	72	59 Å²	59	31%	0.313	30%	0.302	S	S	.	.	H	α-helix	trans	-53.7	-43.3	179.6	-167.9	178.6	-173	178.9	0	113.1	E238 F539 H553 L554 M555	E238-K551 IonicContact OE1-NZ 3.54Å; E238-K551 PolarHBondContact OE1-NZ 3.33Å; F539-K551 HydrophobicContact CD1-CB 4.04Å; F539-K551 HydrophobicContact CD1-CG 4.3Å; F539-K551 HydrophobicContact CE1-CB 3.82Å; F539-K551 HydrophobicContact CE1-CG 4.2Å; F539-K551 HydrophobicContact CE2-CB 4.35Å; F539-K551 HydrophobicContact CG-CB 4.4Å; F539-K551 HydrophobicContact CZ-CB 3.98Å; K551-H553 VanDerWaalsContact C-N 3.27Å; K551-H553 PolarHBondContact O-N 3.24Å; K551-L554 WeakPolarHBondContact O-CB 3.41Å; K551-L554 PolarHBondContact O-N 3.28Å; K551-L554 VanDerWaalsContact O-N 3.11Å; K551-M555 WeakPolarHBondContact O-CG 3.36Å; K551-M555 PolarHBondContact O-N 3.3Å
552	H	88.9	Confident	90.4	Very high	94 Å²	94	62.7 Å²	62.7	44%	0.435	32%	0.324	S	S	.	.	H	α-helix	trans	-68.1	-23.9	-179.4	74	-95.5	0	0	0	113.6	R550 K556	R550-H552 VanDerWaalsContact C-N 3.32Å; R550-H552 VanDerWaalsContact CD-CE1 3.46Å; R550-H552 WeakPolarHBondContact CD-CE1 3.17Å; R550-H552 PolarHBondContact O-N 3.23Å; H552-K556 WeakPolarHBondContact O-CB 2.92Å; H552-K556 VanDerWaalsContact O-CG 3.32Å; H552-K556 WeakPolarHBondContact O-CG 2.97Å; H552-K556 PolarHBondContact O-N 3.18Å; H552-K556 VanDerWaalsContact O-N 3.07Å
553	H	91	Very high	90.2	Very high	70 Å²	70	59.8 Å²	59.8	32%	0.324	31%	0.312	S	S	.	.	H	α-helix	trans	-71.2	-40.6	170.8	-67.9	175.3	0	0	0	110.9	F548 R550 K551 K556 H557	F548-H553 HydrophobicContact CB-CB 4.1Å; F548-H553 HydrophobicContact CD1-CB 3.91Å; F548-H553 HydrophobicContact CG-CB 4.2Å; R550-H553 WeakPolarHBondContact O-CB 3.11Å; R550-H553 PolarHBondContact O-N 3.42Å; K551-H553 VanDerWaalsContact C-N 3.27Å; K551-H553 PolarHBondContact O-N 3.24Å; H553-K556 PolarHBondContact O-N 2.84Å; H553-H557 WeakPolarHBondContact O-CB 3.42Å; H553-H557 PolarHBondContact O-N 3.37Å
554	L	91.1	Very high	90.3	Very high	14 Å²	14	58.8 Å²	58.8	7%	0.073	31%	0.308	C	S	.	.	H	α-helix	trans	-59.8	-47.6	172.2	170.9	62.4	0	0	0	111.3	F539 S540 C541 F548 R550 K551 K556 H557 Q558	F539-L554 HydrophobicContact CB-CB 4.15Å; F539-L554 HydrophobicContact CB-CD2 3.92Å; S540-L554 WeakPolarHBondContact O-CD2 3.42Å; C541-L554 VanDerWaalsContact CA-CD1 3.5Å; C541-L554 HydrophobicContact CB-CD1 3.57Å; F548-L554 HydrophobicContact CB-CB 4.38Å; F548-L554 HydrophobicContact CD2-CB 3.83Å; F548-L554 HydrophobicContact CD2-CD1 3.88Å; F548-L554 HydrophobicContact CD2-CG 4.47Å; F548-L554 HydrophobicContact CE2-CD1 4.02Å; F548-L554 HydrophobicContact CG-CB 4.32Å; R550-L554 PolarHBondContact O-N 2.9Å; K551-L554 WeakPolarHBondContact O-CB 3.41Å; K551-L554 PolarHBondContact O-N 3.28Å; K551-L554 VanDerWaalsContact O-N 3.11Å; L554-K556 VanDerWaalsContact C-N 3.35Å; L554-K556 PolarHBondContact O-N 3.12Å; L554-H557 CarbonylContact O-C 3.55Å; L554-H557 WeakPolarHBondContact O-CA 3.34Å; L554-H557 WeakPolarHBondContact O-CB 3.33Å; L554-H557 PolarHBondContact O-N 3.42Å; L554-Q558 HydrophobicContact CD1-CG 4.09Å; L554-Q558 HydrophobicContact CG-CG 4.49Å; L554-Q558 WeakPolarHBondContact O-CG 3.45Å; L554-Q558 PolarHBondContact O-N 3.2Å
555	M	90.3	Very high	90.2	Very high	79 Å²	79	62.8 Å²	62.8	39%	0.389	32%	0.316	S	S	.	.	H	α-helix	trans	-58.9	-44.7	177.2	-63.8	-66	103.2	0	0	111.8	K551 H557 Q558	K551-M555 WeakPolarHBondContact O-CG 3.36Å; K551-M555 PolarHBondContact O-N 3.3Å; M555-H557 VanDerWaalsContact C-N 3.26Å; M555-H557 PolarHBondContact O-N 3.09Å; M555-Q558 PolarHBondContact O-N 3.3Å
556	K	89.3	Confident	90.2	Very high	99 Å²	99	63.2 Å²	63.2	43%	0.43	31%	0.309	S	S	.	.	H	α-helix	trans	-60.9	-36.2	174.3	-77.8	-179.3	177.3	-179.3	0	112.3	H552 H553 L554 Y578	H552-K556 WeakPolarHBondContact O-CB 2.92Å; H552-K556 VanDerWaalsContact O-CG 3.32Å; H552-K556 WeakPolarHBondContact O-CG 2.97Å; H552-K556 PolarHBondContact O-N 3.18Å; H552-K556 VanDerWaalsContact O-N 3.07Å; H553-K556 PolarHBondContact O-N 2.84Å; L554-K556 VanDerWaalsContact C-N 3.35Å; L554-K556 PolarHBondContact O-N 3.12Å; K556-Y578 HydrophobicContact CB-CE1 4.48Å
557	H	90.2	Very high	90.2	Very high	16 Å²	16	62.8 Å²	62.8	7%	0.074	31%	0.306	C	S	.	.	H	α-helix	trans	-71.9	-39.7	178.2	172.2	72.6	0	0	0	112.3	C544 F548 H553 L554 M555 R559 I560 H561	C544-H557 PolarHBondContact SG-NE2 2.9Å; F548-H557 HydrophobicContact CE1-CB 4.02Å; F548-H557 HydrophobicContact CE2-CB 3.7Å; F548-H557 AromaticContact CE2-CD2 3.55Å; F548-H557 AromaticContact CE2-CG 3.54Å; F548-H557 HydrophobicContact CZ-CB 3.37Å; F548-H557 AromaticContact CZ-CD2 3.65Å; F548-H557 AromaticContact CZ-CG 3.2Å; F548-H557 AromaticContact CZ-ND1 3.6Å; H553-H557 WeakPolarHBondContact O-CB 3.42Å; H553-H557 PolarHBondContact O-N 3.37Å; L554-H557 CarbonylContact O-C 3.55Å; L554-H557 WeakPolarHBondContact O-CA 3.34Å; L554-H557 WeakPolarHBondContact O-CB 3.33Å; L554-H557 PolarHBondContact O-N 3.42Å; M555-H557 VanDerWaalsContact C-N 3.26Å; M555-H557 PolarHBondContact O-N 3.09Å; H557-R559 PolarHBondContact O-N 3.35Å; H557-R559 VanDerWaalsContact O-N 3.14Å; H557-I560 WeakPolarHBondContact O-CB 3.46Å; H557-I560 VanDerWaalsContact O-CG1 3.27Å; H557-I560 WeakPolarHBondContact O-CG1 3.4Å; H557-I560 PolarHBondContact O-N 2.86Å; H557-H561 AromaticContact CD2-NE2 3.89Å; H557-H561 AromaticContact CE1-NE2 3.86Å; H557-H561 AromaticContact NE2-CD2 3.89Å; H557-H561 AromaticContact NE2-NE2 3.1Å; H557-H561 PolarHBondContact NE2-NE2 3.42Å
558	Q	90.4	Very high	90.2	Very high	47 Å²	47	64.4 Å²	64.4	22%	0.22	32%	0.315	C	S	.	.	H	α-helix	trans	-59.1	-27.1	179.2	-78.8	176.1	-37.1	0	0	113	L554 M555 I560 H561 T562	L554-Q558 HydrophobicContact CD1-CG 4.09Å; L554-Q558 HydrophobicContact CG-CG 4.49Å; L554-Q558 WeakPolarHBondContact O-CG 3.45Å; L554-Q558 PolarHBondContact O-N 3.2Å; M555-Q558 PolarHBondContact O-N 3.3Å; Q558-I560 PolarHBondContact O-N 3.15Å; Q558-H561 PolarHBondContact O-N 3.22Å; Q558-T562 PolarHBondContact O-N 3.34Å
559	R	91	Very high	90.1	Very high	43 Å²	43	62.5 Å²	62.5	16%	0.162	31%	0.307	C	S	.	.	H	α-helix	trans	-57.9	-19	170.9	-66.1	-164.7	-82.5	-125.1	11.3	114.3	H557 T562 G563 E564 R577	H557-R559 PolarHBondContact O-N 3.35Å; H557-R559 VanDerWaalsContact O-N 3.14Å; R559-T562 WeakPolarHBondContact CA-OG1 3.33Å; R559-G563 PolarHBondContact O-N 3.36Å; R559-E564 HydrophobicContact CB-CB 4.44Å; R559-E564 HydrophobicContact CG-CB 4.2Å; R559-E564 PolarHBondContact O-N 2.97Å; R559-R577 HydrophobicContact CB-CG 3.91Å; R559-R577 PolarHBondContact O-NE 3.42Å; R559-R577 PolarHBondContact O-NH2 3.37Å
560	I	91.2	Very high	90	Very high	45 Å²	45	66.5 Å²	66.5	23%	0.231	34%	0.337	C	S	.	.	H	α-helix	trans	-67.8	-40.4	172.2	-56.8	177.3	0	0	0	111.3	H557 Q558 R577 P604	H557-I560 WeakPolarHBondContact O-CB 3.46Å; H557-I560 VanDerWaalsContact O-CG1 3.27Å; H557-I560 WeakPolarHBondContact O-CG1 3.4Å; H557-I560 PolarHBondContact O-N 2.86Å; Q558-I560 PolarHBondContact O-N 3.15Å; I560-R577 VanDerWaalsContact CA-CZ 3.48Å; I560-R577 VanDerWaalsContact CA-NH1 3.34Å; I560-P604 HydrophobicContact CG2-CB 4.01Å
561	H	90.6	Very high	89.7	Confident	68 Å²	68	71.7 Å²	71.7	32%	0.315	36%	0.358	S	S	.	.	H	α-helix	trans	-80.6	-40.9	-179.8	-56.9	-56.2	0	0	0	112	C541 H543 C544 H557 Q558 G563	C541-H561 VanDerWaalsContact SG-CD2 3.51Å; C541-H561 PolarHBondContact SG-NE2 2.9Å; C541-H561 VanDerWaalsContact SG-NE2 3.41Å; H543-H561 HydrophobicContact CB-CB 4.35Å; H543-H561 AromaticContact CD2-CD2 3.93Å; C544-H561 PolarHBondContact SG-NE2 3.25Å; C544-H561 VanDerWaalsContact SG-NE2 3.41Å; H557-H561 AromaticContact CD2-NE2 3.89Å; H557-H561 AromaticContact CE1-NE2 3.86Å; H557-H561 AromaticContact NE2-CD2 3.89Å; H557-H561 AromaticContact NE2-NE2 3.1Å; H557-H561 PolarHBondContact NE2-NE2 3.42Å; Q558-H561 PolarHBondContact O-N 3.22Å; H561-G563 PolarHBondContact O-N 2.93Å
562	T	88.7	Confident	89.5	Confident	79 Å²	79	70 Å²	70	49%	0.485	36%	0.355	S	S	.	.	H	α-helix	trans	-76.3	-12.5	179.6	64.6	0	0	0	0	113.3	Q558 R559 E564	Q558-T562 PolarHBondContact O-N 3.34Å; R559-T562 WeakPolarHBondContact CA-OG1 3.33Å; T562-E564 PolarHBondContact O-N 2.94Å; T562-E564 WeakPolarHBondContact OG1-CG 3.31Å; T562-E564 PolarHBondContact OG1-N 3.48Å
563	G	87.8	Confident	89.3	Confident	39 Å²	39	68.1 Å²	68.1	40%	0.402	36%	0.36	S	S	.	.			trans	74.5	-4.1	-175.9	0	0	0	0	0	114.3	R559 H561 R565	R559-G563 PolarHBondContact O-N 3.36Å; H561-G563 PolarHBondContact O-N 2.93Å; G563-R565 PolarHBondContact O-N 2.87Å
564	E	89.2	Confident	89.1	Confident	108 Å²	108	69.2 Å²	69.2	51%	0.505	36%	0.362	S	S	.	.			trans	-56	134.8	-173.6	-77.4	177.3	-163.8	0	0	113.6	R559 T562	R559-E564 HydrophobicContact CB-CB 4.44Å; R559-E564 HydrophobicContact CG-CB 4.2Å; R559-E564 PolarHBondContact O-N 2.97Å; T562-E564 PolarHBondContact O-N 2.94Å; T562-E564 WeakPolarHBondContact OG1-CG 3.31Å; T562-E564 PolarHBondContact OG1-N 3.48Å
565	R	90.6	Very high	89	Confident	133 Å²	133	70.7 Å²	70.7	50%	0.502	37%	0.373	S	S	.	.			trans	-127.9	79.5	176.5	-62.9	173.4	111.7	102.4	-3.9	109.8	G563 Y567 S575 F576	G563-R565 PolarHBondContact O-N 2.87Å; R565-Y567 PolarHBondContact O-N 3.35Å; R565-S575 VanDerWaalsContact CD-O 3.32Å; R565-S575 WeakPolarHBondContact CD-O 3.5Å; R565-S575 PolarHBondContact NE-O 2.86Å; R565-S575 WeakPolarHBondContact O-CB 3.28Å; R565-F576 CarbonylContact C-O 3.57Å; R565-F576 WeakPolarHBondContact CA-O 3.24Å
566	P	88.8	Confident	88.9	Confident	62 Å²	62	68.5 Å²	68.5	40%	0.403	36%	0.361	S	S	.	.			trans	-73.3	-10.2	-170.3	-19.1	33.3	0	0	0	115.1	P568	P566-P568 WeakPolarHBondContact O-CD 3.32Å
567	Y	91.1	Very high	88.9	Confident	71 Å²	71	66.2 Å²	66.2	28%	0.278	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	85	-169.7	-56.6	-75.1	0	0	0	111	R565 S575 F576 R577 Y578 K579	R565-Y567 PolarHBondContact O-N 3.35Å; Y567-S575 WeakPolarHBondContact O-CA 3.21Å; Y567-F576 WeakPolarHBondContact CB-O 2.91Å; Y567-F576 WeakPolarHBondContact CD2-O 3.2Å; Y567-F576 PolarHBondContact N-O 2.89Å; Y567-F576 VanDerWaalsContact N-O 3.12Å; Y567-F576 PolarHBondContact O-N 3.2Å; Y567-R577 WeakPolarHBondContact CE2-O 3.28Å; Y567-Y578 VanDerWaalsContact CD2-C 3.45Å; Y567-K579 HydrophobicContact CD1-CB 4.16Å; Y567-K579 HydrophobicContact CE1-CB 3.95Å; Y567-K579 HydrophobicContact CE1-CG 4.44Å; Y567-K579 HydrophobicContact CE2-CB 4.42Å; Y567-K579 HydrophobicContact CG-CB 4.49Å
568	P	91.6	Very high	88.9	Confident	80 Å²	80	69.2 Å²	69.2	52%	0.519	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	141.5	174.2	30.2	-34.6	0	0	0	111	P566	P566-P568 WeakPolarHBondContact O-CD 3.32Å
569	C	89.3	Confident	88.9	Confident	3 Å²	3	72.3 Å²	72.3	2%	0.02	37%	0.374	C	S	.	.			trans	-78.7	126.9	165.2	178.7	0	0	0	0	110	Y571 G573 R574 F576 L582 H590	C569-Y571 PolarHBondContact O-N 3.17Å; C569-Y571 PolarHBondContact SG-N 2.82Å; C569-Y571 VanDerWaalsContact SG-N 3.39Å; C569-G573 VanDerWaalsContact O-CA 3.3Å; C569-G573 WeakPolarHBondContact O-CA 3.43Å; C569-G573 PolarHBondContact O-N 2.93Å; C569-R574 WeakPolarHBondContact CB-O 3.49Å; C569-R574 PolarHBondContact N-O 3.04Å; C569-F576 HydrophobicContact CB-CE2 4.11Å; C569-L582 HydrophobicContact CB-CD1 3.63Å; C569-H590 PolarHBondContact SG-CE1 2.66Å
570	S	87.9	Confident	88.8	Confident	104 Å²	104	75.3 Å²	75.3	73%	0.727	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-28.7	176.7	47.3	0	0	0	0	113.6
571	Y	84.4	Confident	88.7	Confident	179 Å²	179	75.8 Å²	75.8	70%	0.702	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-33.4	-174.7	-59.4	-75.8	0	0	0	114.1	C569 L586 H590	C569-Y571 PolarHBondContact O-N 3.17Å; C569-Y571 PolarHBondContact SG-N 2.82Å; C569-Y571 VanDerWaalsContact SG-N 3.39Å; Y571-L586 HydrophobicContact CD2-CD2 3.59Å; Y571-L586 HydrophobicContact CE2-CD2 3.86Å; Y571-H590 WeakPolarHBondContact CB-NE2 3.32Å; Y571-H590 AromaticContact CD2-NE2 3.58Å; Y571-H590 AromaticContact CG-NE2 3.75Å
572	C	86.6	Confident	88.6	Confident	37 Å²	37	73.8 Å²	73.8	25%	0.25	39%	0.386	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.7	-1.1	-176.6	74.7	0	0	0	0	114.9	R574 H585 C594	C572-R574 PolarHBondContact O-N 3.48Å; C572-H585 PolarHBondContact SG-NE2 2.85Å; C572-C594 HydrophobicContact CB-CB 4.4Å
573	G	84.9	Confident	88.6	Confident	54 Å²	54	75.2 Å²	75.2	56%	0.557	39%	0.386	S	S	*	.			trans	70.3	-10	-179.2	0	0	0	0	0	115.3	C569 S575	C569-G573 VanDerWaalsContact O-CA 3.3Å; C569-G573 WeakPolarHBondContact O-CA 3.43Å; C569-G573 PolarHBondContact O-N 2.93Å; G573-S575 PolarHBondContact O-N 3.38Å
574	R	86.5	Confident	88.7	Confident	94 Å²	94	76.5 Å²	76.5	36%	0.355	38%	0.384	S	S	.	.			trans	-61.6	129.9	176.7	-70.4	-175.9	173.1	167.2	1.1	110.3	C569 C572 F576 G593 G595	C569-R574 WeakPolarHBondContact CB-O 3.49Å; C569-R574 PolarHBondContact N-O 3.04Å; C572-R574 PolarHBondContact O-N 3.48Å; R574-F576 HydrophobicContact CB-CE2 4Å; R574-F576 HydrophobicContact CB-CZ 4.15Å; R574-F576 WeakPolarHBondContact O-CD2 3.07Å; R574-F576 WeakPolarHBondContact O-CE2 3.34Å; R574-G593 PolarHBondContact NH1-O 3.46Å; R574-G593 PolarHBondContact NH2-O 2.89Å; R574-G595 PolarHBondContact NH2-O 2.99Å
575	S	89	Confident	88.5	Confident	44 Å²	44	72.8 Å²	72.8	31%	0.308	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	135.5	178	-65.3	0	0	0	0	111.7	R565 Y567 G573	R565-S575 VanDerWaalsContact CD-O 3.32Å; R565-S575 WeakPolarHBondContact CD-O 3.5Å; R565-S575 PolarHBondContact NE-O 2.86Å; R565-S575 WeakPolarHBondContact O-CB 3.28Å; Y567-S575 WeakPolarHBondContact O-CA 3.21Å; G573-S575 PolarHBondContact O-N 3.38Å
576	F	88.7	Confident	88.4	Confident	33 Å²	33	69.6 Å²	69.6	15%	0.145	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	148.2	-178.2	-61.8	-90.4	0	0	0	110.7	R565 Y567 C569 R574 Y578 L582 H585	R565-F576 CarbonylContact C-O 3.57Å; R565-F576 WeakPolarHBondContact CA-O 3.24Å; Y567-F576 WeakPolarHBondContact CB-O 2.91Å; Y567-F576 WeakPolarHBondContact CD2-O 3.2Å; Y567-F576 PolarHBondContact N-O 2.89Å; Y567-F576 VanDerWaalsContact N-O 3.12Å; Y567-F576 PolarHBondContact O-N 3.2Å; C569-F576 HydrophobicContact CB-CE2 4.11Å; R574-F576 HydrophobicContact CB-CE2 4Å; R574-F576 HydrophobicContact CB-CZ 4.15Å; R574-F576 WeakPolarHBondContact O-CD2 3.07Å; R574-F576 WeakPolarHBondContact O-CE2 3.34Å; F576-Y578 VanDerWaalsContact C-N 3.35Å; F576-L582 HydrophobicContact CB-CB 4.19Å; F576-L582 HydrophobicContact CD2-CB 3.91Å; F576-L582 HydrophobicContact CD2-CD1 3.7Å; F576-L582 HydrophobicContact CD2-CG 4.4Å; F576-L582 HydrophobicContact CE2-CD1 3.87Å; F576-L582 HydrophobicContact CG-CB 4.17Å; F576-H585 HydrophobicContact CE1-CB 3.95Å; F576-H585 HydrophobicContact CE2-CB 4.09Å; F576-H585 AromaticContact CE2-CD2 3.57Å; F576-H585 AromaticContact CE2-CG 3.79Å; F576-H585 HydrophobicContact CZ-CB 3.53Å; F576-H585 AromaticContact CZ-CD2 3.55Å; F576-H585 AromaticContact CZ-CG 3.3Å; F576-H585 AromaticContact CZ-ND1 3.7Å
577	R	89.4	Confident	88.3	Confident	52 Å²	52	76.9 Å²	76.9	20%	0.196	38%	0.378	C	S	.	.	S	Bend	trans	-73.8	-27.9	177.9	-173.9	171.3	-71.5	165.2	-6.9	112.7	R559 I560 Y567	R559-R577 HydrophobicContact CB-CG 3.91Å; R559-R577 PolarHBondContact O-NE 3.42Å; R559-R577 PolarHBondContact O-NH2 3.37Å; I560-R577 VanDerWaalsContact CA-CZ 3.48Å; I560-R577 VanDerWaalsContact CA-NH1 3.34Å; Y567-R577 WeakPolarHBondContact CE2-O 3.28Å
578	Y	90.2	Very high	87.9	Confident	79 Å²	79	77.5 Å²	77.5	31%	0.31	39%	0.393	S	S	.	.	S	Bend	trans	-128.3	144.4	-177.2	-52.3	-56.7	0	0	0	111.4	K556 Y567 F576 Q580 T581 L582	K556-Y578 HydrophobicContact CB-CE1 4.48Å; Y567-Y578 VanDerWaalsContact CD2-C 3.45Å; F576-Y578 VanDerWaalsContact C-N 3.35Å; Y578-Q580 PolarHBondContact O-N 3.24Å; Y578-T581 PolarHBondContact O-N 3.09Å; Y578-T581 PolarHBondContact O-OG1 3.08Å; Y578-L582 PolarHBondContact O-N 3.19Å
579	K	90.2	Very high	86.9	Confident	112 Å²	112	75.2 Å²	75.2	49%	0.487	38%	0.384	S	S	.	.	H	α-helix	trans	-60.5	-34.1	176.6	-170.5	171	-175.9	169.8	0	112.1	Y567 L582 K583	Y567-K579 HydrophobicContact CD1-CB 4.16Å; Y567-K579 HydrophobicContact CE1-CB 3.95Å; Y567-K579 HydrophobicContact CE1-CG 4.44Å; Y567-K579 HydrophobicContact CE2-CB 4.42Å; Y567-K579 HydrophobicContact CG-CB 4.49Å; K579-L582 PolarHBondContact O-N 3.4Å; K579-K583 WeakPolarHBondContact O-CG 3.48Å; K579-K583 PolarHBondContact O-N 3.29Å
580	Q	88.3	Confident	86	Confident	106 Å²	106	77.5 Å²	77.5	50%	0.495	39%	0.394	S	S	.	.	H	α-helix	trans	-65.1	-46.7	178.7	-169.5	59.4	33	0	0	111.7	Y578 L582 K583 D584	Y578-Q580 PolarHBondContact O-N 3.24Å; Q580-L582 PolarHBondContact O-N 2.88Å; Q580-K583 WeakPolarHBondContact O-CA 3.32Å; Q580-K583 WeakPolarHBondContact O-CB 3.4Å; Q580-K583 PolarHBondContact O-N 2.98Å; Q580-D584 PolarHBondContact NE2-OD1 3.17Å; Q580-D584 PolarHBondContact O-N 2.99Å
581	T	88.5	Confident	84.9	Confident	55 Å²	55	79.8 Å²	79.8	34%	0.337	40%	0.398	S	S	.	.	H	α-helix	trans	-61.9	-31.5	176.9	47.8	0	0	0	0	112.8	Y578 H585	Y578-T581 PolarHBondContact O-N 3.09Å; Y578-T581 PolarHBondContact O-OG1 3.08Å; T581-H585 VanDerWaalsContact O-CB 3.25Å; T581-H585 WeakPolarHBondContact O-CB 3.38Å; T581-H585 PolarHBondContact O-N 2.94Å
582	L	89.2	Confident	83.5	Confident	25 Å²	25	74.8 Å²	74.8	13%	0.131	40%	0.402	C	S	.	.	H	α-helix	trans	-67.6	-45.4	170.4	172.5	63.5	0	0	0	111.3	C569 F576 Y578 K579 Q580 D584 H585 L586	C569-L582 HydrophobicContact CB-CD1 3.63Å; F576-L582 HydrophobicContact CB-CB 4.19Å; F576-L582 HydrophobicContact CD2-CB 3.91Å; F576-L582 HydrophobicContact CD2-CD1 3.7Å; F576-L582 HydrophobicContact CD2-CG 4.4Å; F576-L582 HydrophobicContact CE2-CD1 3.87Å; F576-L582 HydrophobicContact CG-CB 4.17Å; Y578-L582 PolarHBondContact O-N 3.19Å; K579-L582 PolarHBondContact O-N 3.4Å; Q580-L582 PolarHBondContact O-N 2.88Å; L582-D584 VanDerWaalsContact C-N 3.35Å; L582-D584 PolarHBondContact O-N 3.04Å; L582-H585 WeakPolarHBondContact O-CB 3.3Å; L582-H585 PolarHBondContact O-N 3.4Å; L582-L586 HydrophobicContact CD1-CD1 4.18Å; L582-L586 HydrophobicContact CD1-CG 4.1Å; L582-L586 HydrophobicContact CG-CD1 4.07Å; L582-L586 HydrophobicContact CG-CG 4.41Å; L582-L586 VanDerWaalsContact O-CG 3.28Å; L582-L586 WeakPolarHBondContact O-CG 3.09Å; L582-L586 PolarHBondContact O-N 3.48Å
583	K	89.3	Confident	81.9	Confident	109 Å²	109	75.3 Å²	75.3	47%	0.474	41%	0.413	S	S	.	.	H	α-helix	trans	-60.9	-42.9	177.2	-73.4	-177.6	176.1	-171.6	0	112.3	K579 Q580 H585 L586 R587	K579-K583 WeakPolarHBondContact O-CG 3.48Å; K579-K583 PolarHBondContact O-N 3.29Å; Q580-K583 WeakPolarHBondContact O-CA 3.32Å; Q580-K583 WeakPolarHBondContact O-CB 3.4Å; Q580-K583 PolarHBondContact O-N 2.98Å; K583-H585 VanDerWaalsContact C-N 3.3Å; K583-H585 PolarHBondContact O-N 2.96Å; K583-L586 PolarHBondContact O-N 3.36Å; K583-R587 WeakPolarHBondContact O-CB 2.99Å; K583-R587 PolarHBondContact O-N 3.5Å
584	D	88.3	Confident	80.2	Confident	66 Å²	66	77.1 Å²	77.1	35%	0.353	42%	0.416	S	S	.	.	H	α-helix	trans	-65.4	-38.9	178.4	-57.5	-26.4	0	0	0	110.4	Q580 L582 R587 S588	Q580-D584 PolarHBondContact NE2-OD1 3.17Å; Q580-D584 PolarHBondContact O-N 2.99Å; L582-D584 VanDerWaalsContact C-N 3.35Å; L582-D584 PolarHBondContact O-N 3.04Å; D584-R587 PolarHBondContact O-N 2.89Å; D584-S588 WeakPolarHBondContact O-CB 3.23Å; D584-S588 PolarHBondContact O-N 2.97Å; D584-S588 PolarHBondContact O-OG 3.26Å
585	H	86.6	Confident	78.1	Confident	31 Å²	31	75.4 Å²	75.4	14%	0.144	43%	0.428	C	S	.	.	H	α-helix	trans	-61.5	-46.3	172.1	169.5	72	0	0	0	112.7	C572 F576 T581 L582 K583 R587 S588 H590	C572-H585 PolarHBondContact SG-NE2 2.85Å; F576-H585 HydrophobicContact CE1-CB 3.95Å; F576-H585 HydrophobicContact CE2-CB 4.09Å; F576-H585 AromaticContact CE2-CD2 3.57Å; F576-H585 AromaticContact CE2-CG 3.79Å; F576-H585 HydrophobicContact CZ-CB 3.53Å; F576-H585 AromaticContact CZ-CD2 3.55Å; F576-H585 AromaticContact CZ-CG 3.3Å; F576-H585 AromaticContact CZ-ND1 3.7Å; T581-H585 VanDerWaalsContact O-CB 3.25Å; T581-H585 WeakPolarHBondContact O-CB 3.38Å; T581-H585 PolarHBondContact O-N 2.94Å; L582-H585 WeakPolarHBondContact O-CB 3.3Å; L582-H585 PolarHBondContact O-N 3.4Å; K583-H585 VanDerWaalsContact C-N 3.3Å; K583-H585 PolarHBondContact O-N 2.96Å; H585-R587 VanDerWaalsContact C-N 3.35Å; H585-S588 PolarHBondContact O-N 2.9Å; H585-H590 AromaticContact CD2-CE1 3.81Å; H585-H590 AromaticContact CE1-CE1 3.65Å; H585-H590 AromaticContact CE1-ND1 3.48Å; H585-H590 PolarHBondContact CE1-ND1 3.04Å; H585-H590 AromaticContact NE2-CE1 3.01Å; H585-H590 PolarHBondContact NE2-CE1 3.1Å; H585-H590 AromaticContact NE2-ND1 3.34Å; H585-H590 PolarHBondContact NE2-ND1 3.38Å
586	L	86.7	Confident	75.8	Confident	66 Å²	66	76 Å²	76	35%	0.346	44%	0.441	S	S	.	.	H	α-helix	trans	-63.3	-40.1	176.1	-68.6	172	0	0	0	111.6	Y571 L582 K583 G589	Y571-L586 HydrophobicContact CD2-CD2 3.59Å; Y571-L586 HydrophobicContact CE2-CD2 3.86Å; L582-L586 HydrophobicContact CD1-CD1 4.18Å; L582-L586 HydrophobicContact CD1-CG 4.1Å; L582-L586 HydrophobicContact CG-CD1 4.07Å; L582-L586 HydrophobicContact CG-CG 4.41Å; L582-L586 VanDerWaalsContact O-CG 3.28Å; L582-L586 WeakPolarHBondContact O-CG 3.09Å; L582-L586 PolarHBondContact O-N 3.48Å; K583-L586 PolarHBondContact O-N 3.36Å; L586-G589 PolarHBondContact O-N 3.24Å
587	R	86.6	Confident	73.4	Confident	214 Å²	214	82.1 Å²	82.1	81%	0.808	48%	0.475	S	S	*	.	H	α-helix	trans	-68.1	-33.9	177.4	-173.6	-178.6	-65.9	-164.3	-2.7	112.6	K583 D584 H585 G589	K583-R587 WeakPolarHBondContact O-CB 2.99Å; K583-R587 PolarHBondContact O-N 3.5Å; D584-R587 PolarHBondContact O-N 2.89Å; H585-R587 VanDerWaalsContact C-N 3.35Å; R587-G589 PolarHBondContact O-N 2.89Å; R587-G589 VanDerWaalsContact O-N 3.12Å
588	S	82.9	Confident	71.2	Confident	84 Å²	84	85.5 Å²	85.5	59%	0.587	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	3.9	177.3	-54.3	0	0	0	0	113	D584 H585 H590	D584-S588 WeakPolarHBondContact O-CB 3.23Å; D584-S588 PolarHBondContact O-N 2.97Å; D584-S588 PolarHBondContact O-OG 3.26Å; H585-S588 PolarHBondContact O-N 2.9Å; S588-H590 VanDerWaalsContact C-N 3.34Å; S588-H590 PolarHBondContact O-N 3.06Å
589	G	70.9	Confident	68.6	Low	32 Å²	32	87.1 Å²	87.1	33%	0.33	52%	0.521	S	S	.	.	T	Hydrogen-bonded Turn	trans	70	21.9	164.1	0	0	0	0	0	115.3	L586 R587 N591	L586-G589 PolarHBondContact O-N 3.24Å; R587-G589 PolarHBondContact O-N 2.89Å; R587-G589 VanDerWaalsContact O-N 3.12Å; G589-N591 PolarHBondContact O-N 3.4Å; G589-N591 PolarHBondContact O-OD1 2.61Å
590	H	71.3	Confident	66.6	Low	52 Å²	52	87.4 Å²	87.4	24%	0.241	53%	0.534	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.8	4.1	-174.8	-62.9	-76.5	0	0	0	115.7	C569 Y571 H585 S588 G592	C569-H590 PolarHBondContact SG-CE1 2.66Å; Y571-H590 WeakPolarHBondContact CB-NE2 3.32Å; Y571-H590 AromaticContact CD2-NE2 3.58Å; Y571-H590 AromaticContact CG-NE2 3.75Å; H585-H590 AromaticContact CD2-CE1 3.81Å; H585-H590 AromaticContact CE1-CE1 3.65Å; H585-H590 AromaticContact CE1-ND1 3.48Å; H585-H590 PolarHBondContact CE1-ND1 3.04Å; H585-H590 AromaticContact NE2-CE1 3.01Å; H585-H590 PolarHBondContact NE2-CE1 3.1Å; H585-H590 AromaticContact NE2-ND1 3.34Å; H585-H590 PolarHBondContact NE2-ND1 3.38Å; S588-H590 VanDerWaalsContact C-N 3.34Å; S588-H590 PolarHBondContact O-N 3.06Å; H590-G592 PolarHBondContact O-N 3.27Å
591	N	63.4	Low	64.1	Low	151 Å²	151	86.5 Å²	86.5	81%	0.807	54%	0.539	S	S	*	.			trans	-70.2	-19.8	-171.2	-72.2	-35.1	0	0	0	112.8	G589 G593	G589-N591 PolarHBondContact O-N 3.4Å; G589-N591 PolarHBondContact O-OD1 2.61Å; N591-G593 PolarHBondContact O-N 3.18Å
592	G	55.5	Low	61.6	Low	75 Å²	75	87 Å²	87	77%	0.773	56%	0.555	S	S	*	*	S	Bend	trans	-92	58.3	177.9	0	0	0	0	0	113.5	H590	H590-G592 PolarHBondContact O-N 3.27Å
593	G	54.6	Low	59	Low	48 Å²	48	93.8 Å²	93.8	50%	0.495	59%	0.587	S	S	.	*			trans	63.3	92	168.6	0	0	0	0	0	114.6	R574 N591 G595	R574-G593 PolarHBondContact NH1-O 3.46Å; R574-G593 PolarHBondContact NH2-O 2.89Å; N591-G593 PolarHBondContact O-N 3.18Å; G593-G595 PolarHBondContact O-N 3.42Å
594	C	47.3	Very low	56.6	Low	91 Å²	91	92.1 Å²	92.1	62%	0.615	59%	0.587	S	S	*	*			trans	-73.4	9.1	164.2	53.6	0	0	0	0	113.6	C572	C572-C594 HydrophobicContact CB-CB 4.4Å
595	G	42.5	Very low	54.2	Low	59 Å²	59	94.3 Å²	94.3	61%	0.608	61%	0.605	S	S	*	*			trans	-90.6	143.1	177.5	0	0	0	0	0	112.9	R574 G593	R574-G595 PolarHBondContact NH2-O 2.99Å; G593-G595 PolarHBondContact O-N 3.42Å
596	G	41.8	Very low	51.7	Low	57 Å²	57	99.8 Å²	99.8	59%	0.588	64%	0.635	S	S	*	*	S	Bend	trans	96.5	108.4	153.8	0	0	0	0	0	115.5
597	D	37.7	Very low	49.1	Very low	160 Å²	160	100.6 Å²	100.6	86%	0.856	64%	0.644	S	S	*	*			trans	57.7	108.1	146.2	-51.3	-38.9	0	0	0	119.1	D599	D597-D599 PolarHBondContact O-N 2.79Å
598	S	43.3	Very low	46.6	Very low	123 Å²	123	95.9 Å²	95.9	86%	0.86	64%	0.641	S	S	*	*			trans	-57.8	78.2	154.4	-47.6	0	0	0	0	108.5	P600	S598-P600 WeakPolarHBondContact O-CD 3.49Å
599	D	35.2	Very low	44	Very low	114 Å²	114	94.3 Å²	94.3	61%	0.61	64%	0.638	S	S	*	*			trans	-79.1	108.3	163.3	-163.2	-16.2	0	0	0	107.4	D597 S601	D597-D599 PolarHBondContact O-N 2.79Å; D599-S601 PolarHBondContact O-N 3.43Å; D599-S601 WeakPolarHBondContact OD1-CB 3.22Å; D599-S601 PolarHBondContact OD1-N 3.08Å; D599-S601 PolarHBondContact OD1-OG 3.05Å
600	P	48.5	Very low	42.2	Very low	118 Å²	118	98.9 Å²	98.9	77%	0.766	66%	0.662	S	S	*	*			trans	-72.2	-3.1	177.8	-10.2	30.2	0	0	0	111.7	S598 G602	S598-P600 WeakPolarHBondContact O-CD 3.49Å; P600-G602 PolarHBondContact O-N 2.88Å
601	S	35.6	Very low	40.3	Very low	86 Å²	86	104.5 Å²	104.5	60%	0.601	69%	0.693	S	S	*	*			trans	-100.7	43.6	-165.5	-36.2	0	0	0	0	112.7	D599 Q603	D599-S601 PolarHBondContact O-N 3.43Å; D599-S601 WeakPolarHBondContact OD1-CB 3.22Å; D599-S601 PolarHBondContact OD1-N 3.08Å; D599-S601 PolarHBondContact OD1-OG 3.05Å; S601-Q603 PolarHBondContact O-N 2.8Å
602	G	37.1	Very low	38.8	Very low	65 Å²	65	104.6 Å²	104.6	67%	0.67	69%	0.692	S	S	*	*			trans	-71.6	78.4	160.2	0	0	0	0	0	109.2	P600	P600-G602 PolarHBondContact O-N 2.88Å
603	Q	34.5	Very low	37.5	Very low	169 Å²	169	107.7 Å²	107.7	79%	0.79	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-47.3	126.9	175.9	-155.1	164.3	-16.3	0	0	108.6	S601	S601-Q603 PolarHBondContact O-N 2.8Å
604	P	38.9	Very low	36.1	Very low	74 Å²	74	108.7 Å²	108.7	48%	0.481	71%	0.707	S	S	.	*	P	Polyproline II helix	trans	-57.8	138.5	-177.9	23.3	-32	0	0	0	108.8	I560 N606	I560-P604 HydrophobicContact CG2-CB 4.01Å; P604-N606 PolarHBondContact O-N 2.86Å; P604-N606 VanDerWaalsContact O-N 3.15Å
605	P	37.9	Very low	35.2	Very low	111 Å²	111	112.6 Å²	112.6	72%	0.721	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-55.3	128.9	174.6	21.6	-30.7	0	0	0	108.5
606	N	33	Very low	34.4	Very low	146 Å²	146	117.8 Å²	117.8	78%	0.781	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-47.4	134.5	176.6	-77.1	-46.6	0	0	0	109.2	P604	P604-N606 PolarHBondContact O-N 2.86Å; P604-N606 VanDerWaalsContact O-N 3.15Å
607	P	32.8	Very low	33.6	Very low	83 Å²	83	121.5 Å²	121.5	54%	0.539	74%	0.74	S	S	.	*	P	Polyproline II helix	trans	-58.8	135.9	177.2	25.1	-31.5	0	0	0	108.9	G609	P607-G609 PolarHBondContact O-N 3.21Å; P607-G609 VanDerWaalsContact O-N 3.13Å
608	P	34.4	Very low	33.1	Very low	116 Å²	116	119.6 Å²	119.6	75%	0.753	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-55.3	125.8	161.9	-14.7	27.6	0	0	0	106.3
609	G	28.1	Very low	32.4	Very low	50 Å²	50	117.4 Å²	117.4	52%	0.515	74%	0.736	S	S	.	*	P	Polyproline II helix	trans	-55.3	168.1	178.8	0	0	0	0	0	112	P607 L611	P607-G609 PolarHBondContact O-N 3.21Å; P607-G609 VanDerWaalsContact O-N 3.13Å; G609-L611 PolarHBondContact O-N 2.88Å; G609-L611 VanDerWaalsContact O-N 3.08Å
610	P	33.7	Very low	32	Very low	128 Å²	128	119.7 Å²	119.7	83%	0.831	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-58.8	118.6	-175.6	-13	26.3	0	0	0	109.2	I612	P610-I612 PolarHBondContact O-N 2.8Å
611	L	31.3	Very low	31	Very low	171 Å²	171	117.6 Å²	117.6	90%	0.895	75%	0.748	S	S	*	*			trans	-66.7	104.6	167.8	-72.3	177.5	0	0	0	106.9	G609 T613	G609-L611 PolarHBondContact O-N 2.88Å; G609-L611 VanDerWaalsContact O-N 3.08Å; L611-T613 PolarHBondContact O-N 3.25Å
612	I	32	Very low	30.7	Very low	153 Å²	153	119.3 Å²	119.3	79%	0.785	75%	0.754	S	S	*	*			trans	-55.4	123.2	170.6	-67.8	-173	0	0	0	108	P610 G614	P610-I612 PolarHBondContact O-N 2.8Å; I612-G614 PolarHBondContact O-N 2.71Å
613	T	27.3	Very low	30.1	Very low	139 Å²	139	123.3 Å²	123.3	85%	0.853	76%	0.76	S	S	*	*	S	Bend	trans	-55.4	117.9	164.6	38	0	0	0	0	110.1	L611	L611-T613 PolarHBondContact O-N 3.25Å
614	G	26.1	Very low	30.1	Very low	70 Å²	70	121.3 Å²	121.3	72%	0.722	76%	0.759	S	S	*	*			trans	120.7	85.3	165.6	0	0	0	0	0	113.9	I612	I612-G614 PolarHBondContact O-N 2.71Å
615	L	28.6	Very low	29.6	Very low	173 Å²	173	126 Å²	126	91%	0.906	78%	0.775	S	S	*	*				-156.9	144.4	126.7	-152.9	65.6	0	0	0	110.6
616	E	23.8	Very low	29.2	Very low	168 Å²	168	124 Å²	124	79%	0.785	77%	0.774	S	S	*	*			trans	-56.3	152.9	-162.2	-58.8	-174.9	136.8	0	0	117.5	S618	E616-S618 PolarHBondContact O-N 3.43Å
617	T	25.8	Very low	29.2	Very low	134 Å²	134	124.9 Å²	124.9	82%	0.822	78%	0.778	S	S	*	*			trans	-26.1	111.2	155.8	46	0	0	0	0	114.8
618	S	26.9	Very low	29.1	Very low	120 Å²	120	126.4 Å²	126.4	84%	0.839	78%	0.778	S	S	*	*			trans	-162.8	131.1	141.7	-83.1	0	0	0	0	109	E616 L620	E616-S618 PolarHBondContact O-N 3.43Å; S618-L620 PolarHBondContact O-N 3.06Å
619	G	29.6	Very low	28.7	Very low	77 Å²	77	126.5 Å²	126.5	79%	0.794	78%	0.777	S	S	*	*			trans	-57.5	126.7	-159.2	0	0	0	0	0	115.7
620	L	27.2	Very low	28.7	Very low	163 Å²	163	130.9 Å²	130.9	85%	0.853	79%	0.788	S	S	*	*			trans	-133.6	107.4	144.5	-73.7	176.4	0	0	0	107	S618 V622	S618-L620 PolarHBondContact O-N 3.06Å; L620-V622 PolarHBondContact O-N 3.03Å
621	G	26	Very low	28.3	Very low	74 Å²	74	133.4 Å²	133.4	76%	0.763	79%	0.789	S	S	*	*			trans	-60.9	107.2	174.5	0	0	0	0	0	109.7	N623	G621-N623 PolarHBondContact O-N 3.46Å
622	V	29.5	Very low	28	Very low	121 Å²	121	136.4 Å²	136.4	73%	0.733	79%	0.788	S	S	*	*			trans	-85.9	99.1	168.9	-171.8	0	0	0	0	106.7	L620 T624	L620-V622 PolarHBondContact O-N 3.03Å; V622-T624 HydrophobicContact CG1-CG2 4.35Å; V622-T624 PolarHBondContact O-N 3.36Å
623	N	24.8	Very low	27.7	Very low	150 Å²	150	139.2 Å²	139.2	80%	0.802	79%	0.791	S	S	*	*			trans	-63.1	96.7	173	-69.7	-32.5	0	0	0	109.6	G621 E625	G621-N623 PolarHBondContact O-N 3.46Å; N623-E625 VanDerWaalsContact C-N 3.31Å; N623-E625 PolarHBondContact O-N 3.17Å
624	T	33.7	Very low	27.5	Very low	126 Å²	126	136.5 Å²	136.5	77%	0.773	79%	0.79	S	S	*	*			trans	-89.8	64.4	170.1	55.2	0	0	0	0	110.5	V622 G626	V622-T624 HydrophobicContact CG1-CG2 4.35Å; V622-T624 PolarHBondContact O-N 3.36Å; T624-G626 VanDerWaalsContact C-N 3.3Å
625	E	29.7	Very low	27.5	Very low	174 Å²	174	141.9 Å²	141.9	81%	0.813	80%	0.797	S	S	*	*			trans	-87.2	2.5	167.5	-71.7	-167.8	149.9	0	0	112.8	N623	N623-E625 VanDerWaalsContact C-N 3.31Å; N623-E625 PolarHBondContact O-N 3.17Å
626	G	29.7	Very low	27.4	Very low	68 Å²	68	137.3 Å²	137.3	70%	0.701	79%	0.791	S	S	*	*	S	Bend	trans	-89.8	0	-170.9	0	0	0	0	0	118.5	T624	T624-G626 VanDerWaalsContact C-N 3.3Å
627	L	32.9	Very low	27.6	Very low	165 Å²	165	135.4 Å²	135.4	86%	0.864	80%	0.796	S	S	*	*	S	Bend	trans	-132.9	4.1	-170	-117	125.5	0	0	0	118.2
628	E	29.3	Very low	27.6	Very low	114 Å²	114	132.8 Å²	132.8	53%	0.533	80%	0.797	S	S	.	*			trans	-138.5	41.2	176	-65.9	-167.9	149.1	0	0	113.9	K518 N630	K518-E628 IonicContact NZ-OE2 3.91Å; K518-E628 PolarHBondContact NZ-OE2 3.34Å; E628-N630 PolarHBondContact O-N 3.21Å
629	T	26.9	Very low	27.5	Very low	119 Å²	119	130.2 Å²	130.2	73%	0.73	79%	0.788	S	S	*	*			trans	-97.4	71.6	163.1	46.2	0	0	0	0	110.4
630	N	27.3	Very low	27.3	Very low	141 Å²	141	130.1 Å²	130.1	75%	0.754	79%	0.787	S	S	*	*			trans	-107.7	58.2	152.5	-75.5	-75	0	0	0	107.8	E628 W632	E628-N630 PolarHBondContact O-N 3.21Å; N630-W632 PolarHBondContact O-N 3.26Å
631	Q	26.4	Very low	27.2	Very low	181 Å²	181	128.7 Å²	128.7	85%	0.846	79%	0.785	S	S	*	*			trans	-80.6	100.1	161.9	-92.2	177.6	4.5	0	0	107.3	Y633	Q631-Y633 VanDerWaalsContact C-N 3.31Å; Q631-Y633 PolarHBondContact O-N 2.96Å; Q631-Y633 VanDerWaalsContact O-N 3.09Å
632	W	24.7	Very low	27.5	Very low	234 Å²	234	136.5 Å²	136.5	89%	0.886	81%	0.809	S	S	*	*			trans	-66.1	92.9	159.5	-76.2	69.3	0	0	0	107.9	N630	N630-W632 PolarHBondContact O-N 3.26Å
633	Y	26	Very low	27.4	Very low	213 Å²	213	137.3 Å²	137.3	84%	0.835	81%	0.812	S	S	*	*			trans	-140.5	120.1	150.8	-101.8	-86.9	0	0	0	106.7	Q631 E635	Q631-Y633 VanDerWaalsContact C-N 3.31Å; Q631-Y633 PolarHBondContact O-N 2.96Å; Q631-Y633 VanDerWaalsContact O-N 3.09Å; Y633-E635 PolarHBondContact O-N 2.9Å
634	G	23.5	Very low	27.5	Very low	82 Å²	82	136.6 Å²	136.6	85%	0.845	81%	0.813	S	S	*	*			trans	-67.8	109.1	166.7	0	0	0	0	0	107.9
635	E	26.1	Very low	27.2	Very low	183 Å²	183	137.2 Å²	137.2	86%	0.855	82%	0.815	S	S	*	*			trans	-109.7	123.8	149.6	-82.2	-175.9	148.7	0	0	106.8	Y633 S637	Y633-E635 PolarHBondContact O-N 2.9Å; E635-S637 PolarHBondContact O-N 3.4Å
636	G	26.2	Very low	27	Very low	77 Å²	77	135.1 Å²	135.1	79%	0.794	82%	0.815	S	S	*	*			trans	-53.9	133.4	-174.9	0	0	0	0	0	111.1	G638	G636-G638 PolarHBondContact O-N 2.82Å
637	S	27.9	Very low	26.8	Very low	127 Å²	127	139.3 Å²	139.3	89%	0.888	82%	0.822	S	S	*	*			trans	-62	94.2	158.7	-63.9	0	0	0	0	108.2	E635 G639	E635-S637 PolarHBondContact O-N 3.4Å; S637-G639 PolarHBondContact O-N 3.43Å
638	G	25.4	Very low	26.4	Very low	80 Å²	80	137.5 Å²	137.5	83%	0.825	82%	0.819	S	S	*	*			trans	-64.3	75.4	150.6	0	0	0	0	0	108.2	G636 G640	G636-G638 PolarHBondContact O-N 2.82Å; G638-G640 PolarHBondContact O-N 3.05Å
639	G	24.2	Very low	26.2	Very low	65 Å²	65	139.2 Å²	139.2	67%	0.67	84%	0.84	S	S	*	*			trans	-71	81.5	163.7	0	0	0	0	0	108.5	S637 V641	S637-G639 PolarHBondContact O-N 3.43Å; G639-V641 VanDerWaalsContact C-N 3.3Å; G639-V641 PolarHBondContact O-N 2.97Å
640	G	25.5	Very low	26.2	Very low	75 Å²	75	140.8 Å²	140.8	77%	0.773	85%	0.848	S	S	*	*			trans	-75.9	89.9	156.3	0	0	0	0	0	107.8	G638 L642	G638-G640 PolarHBondContact O-N 3.05Å; G640-L642 PolarHBondContact O-N 2.74Å
641	V	25.7	Very low	26.1	Very low	133 Å²	133	140.8 Å²	140.8	81%	0.806	86%	0.856	S	S	*	*			trans	-75.7	107.9	160.9	173.7	0	0	0	0	106.6	G639	G639-V641 VanDerWaalsContact C-N 3.3Å; G639-V641 PolarHBondContact O-N 2.97Å
642	L	31.7	Very low	26.1	Very low	239 Å²	239	137.1 Å²	137.1	100%	1.251	86%	0.857	S	S	*	*				178.6	0	127.9	-90.9	175.4	0	0	0	109.1	G640	G640-L642 PolarHBondContact O-N 2.74Å

Retrieved 642 of 642 residues in 176.2 ms (Link to these results)

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