A0A3Q0KRU7_SCHMA Loading...

TLDc domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KRU7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 646 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	40.4	Very low	35.6	Very low	248 Å²	248	136.1 Å²	136.1	100%	1.222	77%	0.768	S	S	*	*				0	122.1	0	-50	-55.5	-166.8	0	0	106.8
2	G	35.7	Very low	35.5	Very low	73 Å²	73	137.8 Å²	137.8	75%	0.753	77%	0.765	S	S	*	*			cis	-179.2	153.9	-7	0	0	0	0	0	110
3	S	35.4	Very low	35.9	Very low	114 Å²	114	140.9 Å²	140.9	80%	0.797	77%	0.769	S	S	*	*			trans	3.3	124.5	174.1	-62.7	0	0	0	0	119.9
4	V	34.9	Very low	35.8	Very low	125 Å²	125	138.2 Å²	138.2	76%	0.758	77%	0.766	S	S	*	*				62.8	117	68.3	176.4	0	0	0	0	113.1
5	N	38.1	Very low	36.1	Very low	162 Å²	162	138.2 Å²	138.2	87%	0.866	76%	0.764	S	S	*	*				-164.4	131.9	128.7	-99.4	-17.7	0	0	0	111.5
6	S	35.9	Very low	36	Very low	94 Å²	94	138.4 Å²	138.4	66%	0.657	76%	0.758	S	S	*	*			trans	-92.3	167.1	157.7	58.4	0	0	0	0	109.4
7	H	38.6	Very low	35.8	Very low	149 Å²	149	137.9 Å²	137.9	69%	0.69	75%	0.753	S	S	*	*			trans	-178	141.5	130.2	-105	54.5	0	0	0	112.9
8	F	35.1	Very low	35.5	Very low	165 Å²	165	137.3 Å²	137.3	72%	0.724	75%	0.748	S	S	*	*			trans	41.2	149.1	130.8	-76.4	-119.4	0	0	0	120.9
9	M	34.2	Very low	35.4	Very low	140 Å²	140	140.5 Å²	140.5	69%	0.69	75%	0.748	S	S	*	*			cis	171.2	168.2	-17.2	-106.3	-95.5	-163.3	0	0	106.2
10	N	31.1	Very low	35.5	Very low	131 Å²	131	142.5 Å²	142.5	70%	0.701	75%	0.753	S	S	*	*			trans	68.9	114	144.8	-77.1	3.4	0	0	0	122.4
11	T	32.5	Very low	35.5	Very low	96 Å²	96	143.4 Å²	143.4	59%	0.589	75%	0.753	S	S	*	*				103.4	127	104.7	-68.3	0	0	0	0	120.8
12	E	34.2	Very low	35.2	Very low	156 Å²	156	136.6 Å²	136.6	73%	0.729	73%	0.73	S	S	*	*			trans	53.8	132.3	153.7	-71.2	152.8	-143	0	0	119.1
13	H	40	Very low	35	Very low	179 Å²	179	139.3 Å²	139.3	83%	0.829	73%	0.732	S	S	*	*				-154.3	140.6	71.4	-103.2	-86.4	0	0	0	115
14	S	34.5	Very low	34.9	Very low	103 Å²	103	140.6 Å²	140.6	72%	0.72	73%	0.728	S	S	*	*			trans	-87.2	149.3	163	-54.1	0	0	0	0	110.8
15	D	40.1	Very low	34.8	Very low	138 Å²	138	142.2 Å²	142.2	74%	0.738	73%	0.731	S	S	*	*			trans	174.2	157.6	149.7	-96.2	-3.7	0	0	0	111.5
16	Q	35.3	Very low	34.4	Very low	142 Å²	142	137.6 Å²	137.6	66%	0.664	72%	0.722	S	S	*	*			cis	-163.5	156.1	-39.3	-126.3	-170.8	92.1	0	0	109.8
17	L	31.8	Very low	34.4	Very low	130 Å²	130	141 Å²	141	68%	0.681	73%	0.733	S	S	*	*			trans	61.1	106.1	151.4	-63.9	173.9	0	0	0	123.5
18	L	32	Very low	34	Very low	127 Å²	127	141.1 Å²	141.1	67%	0.665	74%	0.738	S	S	*	*				70.7	117.1	106.1	-134.7	81	0	0	0	121.7
19	R	32.9	Very low	34.1	Very low	198 Å²	198	139.5 Å²	139.5	75%	0.747	74%	0.743	S	S	*	*				167.3	165.1	106.2	-89.8	175.3	-173.4	-72.7	-6	114.4
20	Q	38.2	Very low	34.1	Very low	179 Å²	179	139.4 Å²	139.4	84%	0.836	74%	0.738	S	S	*	*			trans	73.6	104.4	178.5	-58.2	179	-13.8	0	0	112.8
21	E	34.1	Very low	34.3	Very low	163 Å²	163	140.3 Å²	140.3	76%	0.762	74%	0.741	S	S	*	*			cis	55.5	113	38.9	-49.1	178	133.4	0	0	110.9
22	S	35.5	Very low	34.4	Very low	104 Å²	104	139.5 Å²	139.5	73%	0.727	73%	0.734	S	S	*	*			cis	-161.1	128.1	49.1	-62.5	0	0	0	0	111.3
23	T	31.3	Very low	34.7	Very low	130 Å²	130	138.7 Å²	138.7	80%	0.798	73%	0.734	S	S	*	*				95.5	150.1	88.2	-51.7	0	0	0	0	114
24	I	32.9	Very low	34.7	Very low	141 Å²	141	137.1 Å²	137.1	72%	0.723	73%	0.731	S	S	*	*			trans	91.9	105.8	168.6	-49.9	-171.6	0	0	0	117.7
25	I	33.1	Very low	34.8	Very low	159 Å²	159	136.4 Å²	136.4	82%	0.815	72%	0.719	S	S	*	*			trans	39.8	125.9	138.7	-47.8	171.5	0	0	0	118.3
26	G	28.5	Very low	34.8	Very low	66 Å²	66	133.6 Å²	133.6	68%	0.68	71%	0.707	S	S	*	*			cis	113	88.3	1.6	0	0	0	0	0	114
27	D	37.4	Very low	35	Very low	164 Å²	164	134.8 Å²	134.8	88%	0.877	71%	0.71	S	S	*	*			trans	-143.8	132	163.4	-106.1	-39	0	0	0	109.5
28	N	29	Very low	35.3	Very low	152 Å²	152	133.6 Å²	133.6	81%	0.813	70%	0.704	S	S	*	*			trans	-131.2	131.6	179.3	-89	-55.6	0	0	0	108.9
29	T	36.2	Very low	35.6	Very low	132 Å²	132	131.4 Å²	131.4	81%	0.81	69%	0.693	S	S	*	*			trans	165.2	138	155.8	31.2	0	0	0	0	109
30	K	36.1	Very low	35.9	Very low	138 Å²	138	128.9 Å²	128.9	60%	0.6	69%	0.689	S	S	*	*			cis	-133.5	167.3	-11.6	-47.1	84.1	155.4	-87.9	0	106.9	D32	K30-D32 HydrophobicContact CB-CB 4.27Å; K30-D32 WeakPolarHBondContact CB-OD2 3.45Å; K30-D32 VanDerWaalsContact CD-OD2 3.23Å; K30-D32 WeakPolarHBondContact CD-OD2 2.91Å; K30-D32 VanDerWaalsContact CG-OD2 3.31Å; K30-D32 WeakPolarHBondContact CG-OD2 3.05Å; K30-D32 IonicContact NZ-OD2 3.47Å; K30-D32 PolarHBondContact NZ-OD2 2.6Å
31	I	33.6	Very low	35.9	Very low	149 Å²	149	123.2 Å²	123.2	76%	0.764	67%	0.67	S	S	*	*			cis	65.5	34.9	22.4	-31.1	179.7	0	0	0	115.2
32	D	35.3	Very low	36.1	Very low	80 Å²	80	121.2 Å²	121.2	43%	0.428	66%	0.662	S	S	.	*			trans	-116	-35.9	172.5	-78.1	-39.8	0	0	0	113.6	K30 L34 N35	K30-D32 HydrophobicContact CB-CB 4.27Å; K30-D32 WeakPolarHBondContact CB-OD2 3.45Å; K30-D32 VanDerWaalsContact CD-OD2 3.23Å; K30-D32 WeakPolarHBondContact CD-OD2 2.91Å; K30-D32 VanDerWaalsContact CG-OD2 3.31Å; K30-D32 WeakPolarHBondContact CG-OD2 3.05Å; K30-D32 IonicContact NZ-OD2 3.47Å; K30-D32 PolarHBondContact NZ-OD2 2.6Å; D32-L34 PolarHBondContact O-N 3.11Å; D32-N35 PolarHBondContact O-N 3.26Å
33	D	40.1	Very low	36.5	Very low	139 Å²	139	121.9 Å²	121.9	74%	0.743	66%	0.656	S	S	*	*	H	α-helix	trans	-76.3	-19.2	-165.2	-62.5	-50.5	0	0	0	118	T36	D33-T36 PolarHBondContact O-OG1 3.48Å
34	L	40.9	Very low	36.5	Very low	146 Å²	146	123.6 Å²	123.6	76%	0.764	65%	0.649	S	S	*	*	H	α-helix	trans	-87.3	-24.2	176.1	-77.7	166.6	0	0	0	112.8	D32	D32-L34 PolarHBondContact O-N 3.11Å
35	N	35.7	Very low	37.2	Very low	88 Å²	88	121.1 Å²	121.1	47%	0.471	64%	0.641	S	S	.	*	H	α-helix	trans	-81.4	-25.3	-179.1	-76.1	-43.9	0	0	0	112.7	D32 N39	D32-N35 PolarHBondContact O-N 3.26Å; N35-N39 VanDerWaalsContact O-CB 3.31Å; N35-N39 WeakPolarHBondContact O-CB 3.46Å; N35-N39 PolarHBondContact O-N 3.3Å; N35-N39 VanDerWaalsContact O-N 3.07Å; N35-N39 PolarHBondContact O-ND2 2.69Å
36	T	39.8	Very low	37.6	Very low	78 Å²	78	115.2 Å²	115.2	48%	0.479	62%	0.619	S	S	.	*	H	α-helix	trans	-66.1	-54.1	176.9	48.6	0	0	0	0	111.6	D33 L38 N39 E40	D33-T36 PolarHBondContact O-OG1 3.48Å; T36-L38 VanDerWaalsContact C-N 3.31Å; T36-L38 PolarHBondContact O-N 3.42Å; T36-N39 PolarHBondContact O-N 2.97Å; T36-N39 VanDerWaalsContact O-N 3.15Å; T36-E40 PolarHBondContact O-N 2.66Å
37	K	40.1	Very low	38	Very low	167 Å²	167	117.9 Å²	117.9	73%	0.726	61%	0.612	S	S	*	*	H	α-helix	trans	-56.3	-40.1	178.2	-84.5	179.4	173.9	172.4	0	113.6
38	L	38.2	Very low	37.9	Very low	106 Å²	106	116.4 Å²	116.4	56%	0.555	59%	0.594	S	S	*	*	H	α-helix	trans	-69.8	-44.9	176.3	-72.7	171.7	0	0	0	111.8	T36 E40 S41 M42	T36-L38 VanDerWaalsContact C-N 3.31Å; T36-L38 PolarHBondContact O-N 3.42Å; L38-E40 PolarHBondContact O-N 3.2Å; L38-S41 PolarHBondContact O-N 3.16Å; L38-S41 PolarHBondContact O-OG 3.3Å; L38-M42 PolarHBondContact O-N 2.84Å; L38-M42 VanDerWaalsContact O-N 3.08Å
39	N	39.2	Very low	38.7	Very low	80 Å²	80	114.4 Å²	114.4	43%	0.428	58%	0.58	S	S	.	*	H	α-helix	trans	-64.2	-38	-179.1	-82.4	-55.7	0	0	0	113.6	N35 T36 S41 M42 I43	N35-N39 VanDerWaalsContact O-CB 3.31Å; N35-N39 WeakPolarHBondContact O-CB 3.46Å; N35-N39 PolarHBondContact O-N 3.3Å; N35-N39 VanDerWaalsContact O-N 3.07Å; N35-N39 PolarHBondContact O-ND2 2.69Å; T36-N39 PolarHBondContact O-N 2.97Å; T36-N39 VanDerWaalsContact O-N 3.15Å; N39-S41 VanDerWaalsContact C-N 3.32Å; N39-S41 PolarHBondContact O-N 2.69Å; N39-M42 PolarHBondContact O-N 3.15Å; N39-I43 WeakPolarHBondContact O-CB 3.38Å; N39-I43 VanDerWaalsContact O-CG1 3.27Å; N39-I43 WeakPolarHBondContact O-CG1 3.21Å; N39-I43 PolarHBondContact O-N 3.23Å
40	E	38.7	Very low	38.9	Very low	145 Å²	145	118.4 Å²	118.4	68%	0.678	58%	0.58	S	S	*	*	H	α-helix	trans	-60.7	-42.3	176.3	-71.1	-173	151.3	0	0	111.7	T36 L38 M42 I43 Y44	T36-E40 PolarHBondContact O-N 2.66Å; L38-E40 PolarHBondContact O-N 3.2Å; E40-M42 PolarHBondContact O-N 3.08Å; E40-I43 PolarHBondContact O-N 2.88Å; E40-Y44 PolarHBondContact O-N 3.08Å; E40-Y44 VanDerWaalsContact O-N 3.11Å
41	S	38.1	Very low	39	Very low	61 Å²	61	116.6 Å²	116.6	43%	0.427	58%	0.577	S	S	.	*	H	α-helix	trans	-63.8	-39.5	174.7	80.2	0	0	0	0	112.7	L38 N39 T45	L38-S41 PolarHBondContact O-N 3.16Å; L38-S41 PolarHBondContact O-OG 3.3Å; N39-S41 VanDerWaalsContact C-N 3.32Å; N39-S41 PolarHBondContact O-N 2.69Å; S41-T45 WeakPolarHBondContact O-CB 3.45Å; S41-T45 WeakPolarHBondContact O-CG2 3.49Å; S41-T45 PolarHBondContact O-N 3.1Å; S41-T45 PolarHBondContact O-OG1 2.75Å
42	M	38.8	Very low	39.4	Very low	120 Å²	120	115.7 Å²	115.7	59%	0.591	57%	0.568	S	S	*	*	H	α-helix	trans	-71.4	-34.9	179.1	-77.2	177.9	56.3	0	0	112.8	L38 N39 E40 T45 G46	L38-M42 PolarHBondContact O-N 2.84Å; L38-M42 VanDerWaalsContact O-N 3.08Å; N39-M42 PolarHBondContact O-N 3.15Å; E40-M42 PolarHBondContact O-N 3.08Å; M42-T45 WeakPolarHBondContact CA-OG1 3.48Å; M42-T45 PolarHBondContact O-OG1 3Å; M42-G46 WeakPolarHBondContact O-CA 3.46Å; M42-G46 PolarHBondContact O-N 3.48Å
43	I	42.5	Very low	39.8	Very low	119 Å²	119	118.6 Å²	118.6	61%	0.61	58%	0.576	S	S	*	*	H	α-helix	trans	-69.7	-44.4	176.6	-69.4	165.3	0	0	0	110.2	N39 E40 F47	N39-I43 WeakPolarHBondContact O-CB 3.38Å; N39-I43 VanDerWaalsContact O-CG1 3.27Å; N39-I43 WeakPolarHBondContact O-CG1 3.21Å; N39-I43 PolarHBondContact O-N 3.23Å; E40-I43 PolarHBondContact O-N 2.88Å; I43-F47 PolarHBondContact O-N 3.27Å
44	Y	33	Very low	39.5	Very low	165 Å²	165	121.3 Å²	121.3	65%	0.647	58%	0.582	S	S	*	*	H	α-helix	trans	-67.5	-48.7	178.8	-126.5	-96	0	0	0	112	E40 G46 F47 W48	E40-Y44 PolarHBondContact O-N 3.08Å; E40-Y44 VanDerWaalsContact O-N 3.11Å; Y44-G46 PolarHBondContact O-N 3.01Å; Y44-F47 PolarHBondContact O-N 3.24Å; Y44-W48 AromaticContact CD1-NE1 3.99Å; Y44-W48 AromaticContact CE1-NE1 3.85Å; Y44-W48 PolarHBondContact O-N 2.69Å
45	T	46.9	Very low	39.1	Very low	89 Å²	89	118.7 Å²	118.7	55%	0.546	58%	0.576	S	S	.	*	H	α-helix	trans	-61.3	-44.4	175.6	52	0	0	0	0	111.2	S41 M42 F47 W48 H49	S41-T45 WeakPolarHBondContact O-CB 3.45Å; S41-T45 WeakPolarHBondContact O-CG2 3.49Å; S41-T45 PolarHBondContact O-N 3.1Å; S41-T45 PolarHBondContact O-OG1 2.75Å; M42-T45 WeakPolarHBondContact CA-OG1 3.48Å; M42-T45 PolarHBondContact O-OG1 3Å; T45-F47 VanDerWaalsContact C-N 3.34Å; T45-F47 PolarHBondContact O-N 3.28Å; T45-W48 PolarHBondContact O-N 3.02Å; T45-H49 WeakPolarHBondContact O-CB 3.43Å; T45-H49 PolarHBondContact O-N 3.42Å
46	G	41.1	Very low	38.9	Very low	36 Å²	36	123.6 Å²	123.6	37%	0.371	59%	0.593	S	S	.	*	H	α-helix	trans	-59.2	-37.5	177.6	0	0	0	0	0	114.2	M42 Y44 R50	M42-G46 WeakPolarHBondContact O-CA 3.46Å; M42-G46 PolarHBondContact O-N 3.48Å; Y44-G46 PolarHBondContact O-N 3.01Å; G46-R50 WeakPolarHBondContact O-CB 3.35Å; G46-R50 PolarHBondContact O-N 2.98Å
47	F	37.1	Very low	38.5	Very low	121 Å²	121	126 Å²	126	53%	0.531	61%	0.607	S	S	.	*	H	α-helix	trans	-61.3	-55.6	175.2	178.7	-98.1	0	0	0	111.6	I43 Y44 T45 H49 R50 L51	I43-F47 PolarHBondContact O-N 3.27Å; Y44-F47 PolarHBondContact O-N 3.24Å; T45-F47 VanDerWaalsContact C-N 3.34Å; T45-F47 PolarHBondContact O-N 3.28Å; F47-H49 PolarHBondContact O-N 2.82Å; F47-R50 PolarHBondContact O-N 3.22Å; F47-L51 HydrophobicContact CE1-CD2 4.35Å; F47-L51 HydrophobicContact CZ-CD1 4.21Å; F47-L51 PolarHBondContact O-N 2.83Å
48	W	35.8	Very low	38.1	Very low	133 Å²	133	125.9 Å²	125.9	50%	0.504	61%	0.614	S	S	.	*	H	α-helix	trans	-65.4	-39.5	179.3	-71.4	93.3	0	0	0	111.9	Y44 T45 R50 L51 F52	Y44-W48 AromaticContact CD1-NE1 3.99Å; Y44-W48 AromaticContact CE1-NE1 3.85Å; Y44-W48 PolarHBondContact O-N 2.69Å; T45-W48 PolarHBondContact O-N 3.02Å; W48-R50 PolarHBondContact O-N 2.76Å; W48-L51 PolarHBondContact O-N 2.69Å; W48-F52 AromaticContact CE3-CD2 3.95Å; W48-F52 HydrophobicContact CE3-CD2 3.95Å; W48-F52 AromaticContact CE3-CE2 3.45Å; W48-F52 HydrophobicContact CE3-CE2 3.45Å; W48-F52 VanDerWaalsContact CE3-CE2 3.45Å; W48-F52 HydrophobicContact CE3-CZ 4.4Å; W48-F52 AromaticContact CZ3-CE2 3.59Å; W48-F52 HydrophobicContact CZ3-CE2 3.59Å; W48-F52 HydrophobicContact CZ3-CZ 4.21Å; W48-F52 PolarHBondContact O-N 3.3Å
49	H	44.6	Very low	37.7	Very low	111 Å²	111	128.7 Å²	128.7	51%	0.514	63%	0.629	S	S	.	*	H	α-helix	trans	-64.5	-28.7	177.8	-149.2	-20.2	0	0	0	112.3	T45 F47 K53	T45-H49 WeakPolarHBondContact O-CB 3.43Å; T45-H49 PolarHBondContact O-N 3.42Å; F47-H49 PolarHBondContact O-N 2.82Å; H49-K53 WeakPolarHBondContact CE1-CE 3.33Å; H49-K53 WeakPolarHBondContact O-CB 3.34Å; H49-K53 WeakPolarHBondContact O-CG 3.18Å; H49-K53 PolarHBondContact O-N 3.18Å; H49-K53 VanDerWaalsContact O-N 3.11Å
50	R	40.9	Very low	37.3	Very low	215 Å²	215	132.6 Å²	132.6	81%	0.811	65%	0.65	S	S	*	*	H	α-helix	trans	-84.9	-30.3	175.1	-167	175.8	-169.3	177.2	3.4	113.3	G46 F47 W48	G46-R50 WeakPolarHBondContact O-CB 3.35Å; G46-R50 PolarHBondContact O-N 2.98Å; F47-R50 PolarHBondContact O-N 3.22Å; W48-R50 PolarHBondContact O-N 2.76Å
51	L	38.6	Very low	37	Very low	101 Å²	101	133 Å²	133	53%	0.529	65%	0.652	S	S	.	*	H	α-helix	trans	-68.8	-40.8	173.2	-138.9	76.6	0	0	0	111.1	F47 W48	F47-L51 HydrophobicContact CE1-CD2 4.35Å; F47-L51 HydrophobicContact CZ-CD1 4.21Å; F47-L51 PolarHBondContact O-N 2.83Å; W48-L51 PolarHBondContact O-N 2.69Å
52	F	42.6	Very low	36.8	Very low	129 Å²	129	134.9 Å²	134.9	57%	0.566	66%	0.663	S	S	*	*	H	α-helix	trans	-98.2	-14.1	-174.5	-74.8	-97.1	0	0	0	115.5	W48 K54 S55	W48-F52 AromaticContact CE3-CD2 3.95Å; W48-F52 HydrophobicContact CE3-CD2 3.95Å; W48-F52 AromaticContact CE3-CE2 3.45Å; W48-F52 HydrophobicContact CE3-CE2 3.45Å; W48-F52 VanDerWaalsContact CE3-CE2 3.45Å; W48-F52 HydrophobicContact CE3-CZ 4.4Å; W48-F52 AromaticContact CZ3-CE2 3.59Å; W48-F52 HydrophobicContact CZ3-CE2 3.59Å; W48-F52 HydrophobicContact CZ3-CZ 4.21Å; W48-F52 PolarHBondContact O-N 3.3Å; F52-K54 PolarHBondContact O-N 3.06Å; F52-S55 PolarHBondContact O-OG 3.38Å
53	K	43.2	Very low	36.7	Very low	141 Å²	141	135 Å²	135	61%	0.613	67%	0.672	S	S	*	*	G	3₁₀ helix	trans	-67.1	-10.2	172	-99.3	177.5	164.6	160	0	114.6	H49 S55	H49-K53 WeakPolarHBondContact CE1-CE 3.33Å; H49-K53 WeakPolarHBondContact O-CB 3.34Å; H49-K53 WeakPolarHBondContact O-CG 3.18Å; H49-K53 PolarHBondContact O-N 3.18Å; H49-K53 VanDerWaalsContact O-N 3.11Å; K53-S55 VanDerWaalsContact C-N 3.29Å; K53-S55 PolarHBondContact O-N 2.67Å
54	K	33.4	Very low	36.1	Very low	197 Å²	197	137 Å²	137	86%	0.857	68%	0.679	S	S	*	*	G	3₁₀ helix	trans	-84.9	13	-177.5	-102	-171.4	173.1	-171.7	0	115.5	F52	F52-K54 PolarHBondContact O-N 3.06Å
55	S	32.6	Very low	36.1	Very low	91 Å²	91	136.9 Å²	136.9	64%	0.636	69%	0.689	S	S	*	*	G	3₁₀ helix	trans	-127.4	17.8	-177.9	56.6	0	0	0	0	115.4	F52 K53	F52-S55 PolarHBondContact O-OG 3.38Å; K53-S55 VanDerWaalsContact C-N 3.29Å; K53-S55 PolarHBondContact O-N 2.67Å
56	K	32.5	Very low	35.2	Very low	191 Å²	191	140.2 Å²	140.2	83%	0.83	70%	0.703	S	S	*	*			trans	-142.4	64.6	176.7	-68.9	-163.9	175	-168.1	0	113.8
57	T	30	Very low	34.8	Very low	127 Å²	127	143.6 Å²	143.6	78%	0.779	72%	0.721	S	S	*	*			trans	-149.5	63	171.9	57	0	0	0	0	112.6
58	L	32.1	Very low	34.4	Very low	166 Å²	166	145.5 Å²	145.5	87%	0.869	74%	0.737	S	S	*	*			trans	-172.4	93.9	162.3	-110.8	166.9	0	0	0	107.1
59	D	29.4	Very low	34.3	Very low	165 Å²	165	146.9 Å²	146.9	88%	0.882	75%	0.752	S	S	*	*			trans	172.2	87.7	161.7	-89.5	-24.8	0	0	0	107
60	N	31.5	Very low	33.8	Very low	162 Å²	162	148.8 Å²	148.8	87%	0.866	77%	0.766	S	S	*	*			trans	-136.6	105.8	174.7	-99.9	2.9	0	0	0	108.6
61	E	33.2	Very low	33.2	Very low	152 Å²	152	145 Å²	145	71%	0.71	76%	0.762	S	S	*	*			trans	35.4	112.7	149.4	-71.8	-62	110.6	0	0	120.2
62	P	32.1	Very low	33	Very low	101 Å²	101	145.5 Å²	145.5	66%	0.656	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-77.6	133.6	159	33.1	-30.4	0	0	0	110.5	H64	P62-H64 PolarHBondContact O-N 2.9Å
63	P	36.6	Very low	32.7	Very low	122 Å²	122	146.3 Å²	146.3	79%	0.792	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-67.8	121	179.2	27.1	-33.8	0	0	0	111.5	L65	P63-L65 PolarHBondContact O-N 3.31Å
64	H	30.5	Very low	32.3	Very low	163 Å²	163	146.5 Å²	146.5	76%	0.755	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-57	122.9	176.1	-72.6	-83.3	0	0	0	112.5	P62	P62-H64 PolarHBondContact O-N 2.9Å
65	L	33.1	Very low	32.3	Very low	161 Å²	161	142.3 Å²	142.3	84%	0.843	76%	0.76	S	S	*	*			trans	-118.7	79.5	165.1	-83	171.7	0	0	0	110.3	P63	P63-L65 PolarHBondContact O-N 3.31Å
66	N	27.4	Very low	32.3	Very low	159 Å²	159	146.5 Å²	146.5	85%	0.85	77%	0.767	S	S	*	*			trans	-101.6	99.1	167.4	-91.7	-18.1	0	0	0	110
67	S	33.9	Very low	32.3	Very low	107 Å²	107	142 Å²	142	75%	0.748	76%	0.759	S	S	*	*			trans	-140.8	122.8	156.3	53	0	0	0	0	109.8
68	N	28.7	Very low	32.3	Very low	161 Å²	161	142.6 Å²	142.6	86%	0.861	76%	0.758	S	S	*	*			trans	-69.3	147.2	178.3	-57.6	-64.8	0	0	0	110.7
69	I	33.2	Very low	32.3	Very low	162 Å²	162	140.6 Å²	140.6	83%	0.831	75%	0.747	S	S	*	*			trans	-172.1	133.2	131.6	-97.1	150.5	0	0	0	111
70	L	33.4	Very low	32.5	Very low	151 Å²	151	140.4 Å²	140.4	79%	0.791	74%	0.741	S	S	*	*			trans	18.1	117.6	165	-85.6	61.5	0	0	0	121.8
71	N	29.2	Very low	32.4	Very low	136 Å²	136	136.7 Å²	136.7	73%	0.727	73%	0.727	S	S	*	*				58.1	141.9	112.4	-89.5	50.7	0	0	0	124.5
72	D	34.7	Very low	32.3	Very low	112 Å²	112	135.7 Å²	135.7	60%	0.599	73%	0.727	S	S	*	*			trans	77.7	95.5	143.3	-71.5	-51.3	0	0	0	122
73	Q	35.1	Very low	32.3	Very low	145 Å²	145	136.7 Å²	136.7	68%	0.678	73%	0.727	S	S	*	*				87.6	116.7	117.1	-76.4	-175.9	66.6	0	0	122.3
74	Q	34.7	Very low	32.1	Very low	145 Å²	145	137.7 Å²	137.7	68%	0.678	73%	0.725	S	S	*	*				90.7	125	130	-73.1	-168.2	55.6	0	0	122.2
75	N	33.3	Very low	32.1	Very low	110 Å²	110	134.7 Å²	134.7	59%	0.588	72%	0.723	S	S	*	*			trans	78.2	93.9	138.4	-70.1	-34.1	0	0	0	122.3
76	K	34	Very low	31.9	Very low	178 Å²	178	134.2 Å²	134.2	77%	0.774	72%	0.72	S	S	*	*				66.9	117.6	108.9	-74.7	179.1	-179	174.7	0	120.6
77	S	32.2	Very low	32.1	Very low	96 Å²	96	133.8 Å²	133.8	67%	0.671	71%	0.713	S	S	*	*				97.5	152.4	118.8	74.9	0	0	0	0	120.2
78	N	29.8	Very low	31.9	Very low	140 Å²	140	134.6 Å²	134.6	75%	0.749	71%	0.709	S	S	*	*			trans	75.3	144.9	157.8	-70.4	-0.3	0	0	0	116.6
79	I	32.5	Very low	31.9	Very low	124 Å²	124	133.8 Å²	133.8	64%	0.636	71%	0.705	S	S	*	*			cis	-161.5	147.6	-0.8	-123.6	170.7	0	0	0	111.4
80	Q	32.6	Very low	32	Very low	162 Å²	162	132.4 Å²	132.4	76%	0.757	70%	0.704	S	S	*	*			trans	50.1	174.6	158.9	-105.1	89.3	-27.3	0	0	119.2
81	S	30.8	Very low	31.9	Very low	83 Å²	83	129 Å²	129	58%	0.58	70%	0.697	S	S	*	*			cis	-168.2	143.9	-12.4	33.4	0	0	0	0	109.8
82	N	30.9	Very low	31.9	Very low	132 Å²	132	132.5 Å²	132.5	71%	0.706	70%	0.702	S	S	*	*			trans	62.4	160.7	137.4	-61.1	43	0	0	0	118.7
83	D	32.1	Very low	31.9	Very low	122 Å²	122	135.4 Å²	135.4	65%	0.652	71%	0.712	S	S	*	*			cis	-159.1	167.5	-21.9	-98.2	-15.6	0	0	0	109.1
84	D	31.4	Very low	31.5	Very low	142 Å²	142	137 Å²	137	76%	0.759	72%	0.719	S	S	*	*			trans	56.3	122.9	145	-75.2	-17.4	0	0	0	124.6
85	S	30.6	Very low	31.6	Very low	100 Å²	100	136.9 Å²	136.9	70%	0.699	73%	0.728	S	S	*	*				99.9	103.1	122.6	74.6	0	0	0	0	122.3
86	L	29.6	Very low	31.5	Very low	152 Å²	152	137.6 Å²	137.6	80%	0.796	74%	0.736	S	S	*	*				56.9	126.3	116.4	-62	-177.9	0	0	0	123.4
87	Q	30.9	Very low	31.8	Very low	150 Å²	150	137 Å²	137	70%	0.701	74%	0.742	S	S	*	*			trans	91.8	141.6	134.3	-122.8	93.4	17.8	0	0	122.2
88	N	29.6	Very low	31.8	Very low	124 Å²	124	142 Å²	142	66%	0.663	75%	0.751	S	S	*	*			trans	94.2	94	146.4	-63.3	-34.4	0	0	0	123
89	N	30	Very low	32.1	Very low	143 Å²	143	143.4 Å²	143.4	77%	0.765	76%	0.758	S	S	*	*				84.9	162.4	116	-65.5	-26.8	0	0	0	123.1
90	V	33.9	Very low	32.3	Very low	133 Å²	133	145 Å²	145	81%	0.806	77%	0.767	S	S	*	*			trans	75.9	109.2	174.8	-164.1	0	0	0	0	114
91	A	32.4	Very low	32.3	Very low	79 Å²	79	142.6 Å²	142.6	65%	0.653	76%	0.764	S	S	*	*			cis	103.4	155.8	21.5	0	0	0	0	0	114.8
92	Y	28.7	Very low	32.7	Very low	210 Å²	210	145.5 Å²	145.5	82%	0.824	78%	0.778	S	S	*	*			trans	76.8	141.8	175.4	-66.5	-67.6	0	0	0	117
93	Q	34.4	Very low	32.9	Very low	173 Å²	173	145.5 Å²	145.5	81%	0.808	78%	0.778	S	S	*	*			cis	-138.2	169.5	-1.4	-68.9	-153.2	-3.1	0	0	113.6
94	H	27.4	Very low	33.3	Very low	179 Å²	179	149.9 Å²	149.9	83%	0.829	79%	0.792	S	S	*	*			trans	-93.9	151.8	164.1	-66.7	-95.8	0	0	0	112.4
95	T	35.6	Very low	33.4	Very low	143 Å²	143	148.7 Å²	148.7	88%	0.877	79%	0.79	S	S	*	*			trans	-138.5	163.9	145.9	52	0	0	0	0	110.4
96	T	32.7	Very low	33.9	Very low	124 Å²	124	151.1 Å²	151.1	76%	0.761	80%	0.8	S	S	*	*			trans	-129.7	163.1	-170.6	56.4	0	0	0	0	111.8
97	N	38.9	Very low	34	Very low	167 Å²	167	150.9 Å²	150.9	89%	0.893	80%	0.798	S	S	*	*			trans	-152.7	151.7	149.7	-98.4	-42.4	0	0	0	111.6
98	K	33.7	Very low	34.2	Very low	199 Å²	199	148.7 Å²	148.7	87%	0.865	80%	0.799	S	S	*	*			trans	-127.8	149	179.5	-78.4	-175.8	174	-177.1	0	110.4
99	L	36	Very low	34.5	Very low	170 Å²	170	152.1 Å²	152.1	89%	0.89	81%	0.808	S	S	*	*			trans	-162.4	157.8	161.5	-96.9	130.1	0	0	0	108.6
100	L	35.5	Very low	34.5	Very low	157 Å²	157	151.4 Å²	151.4	82%	0.822	81%	0.811	S	S	*	*				-144.7	157.7	-59.2	-172.2	61.4	0	0	0	107.4
101	T	33.8	Very low	34.5	Very low	112 Å²	112	153.1 Å²	153.1	69%	0.687	81%	0.814	S	S	*	*			trans	-88.5	154	-175.3	48.5	0	0	0	0	114.3
102	T	38.3	Very low	34.4	Very low	145 Å²	145	154.3 Å²	154.3	89%	0.89	82%	0.818	S	S	*	*			trans	-153.5	152.7	140.5	21.9	0	0	0	0	110.9
103	D	34.8	Very low	34.6	Very low	132 Å²	132	151.6 Å²	151.6	71%	0.706	82%	0.816	S	S	*	*			trans	-104.6	167.4	-161.3	-43.9	-94.2	0	0	0	115
104	K	41.2	Very low	34.5	Very low	214 Å²	214	150.4 Å²	150.4	93%	0.93	82%	0.815	S	S	*	*				-159.2	142.3	125.5	-106.8	155.5	-171.4	175.5	0	112
105	T	33.2	Very low	34.5	Very low	117 Å²	117	147.1 Å²	147.1	72%	0.718	81%	0.812	S	S	*	*			trans	-123.8	150.1	-174.5	46.2	0	0	0	0	111.7
106	V	40.8	Very low	34.3	Very low	151 Å²	151	148 Å²	148	92%	0.915	81%	0.811	S	S	*	*			trans	-135.1	143.9	161.8	-179.6	0	0	0	0	107.5
107	I	32.7	Very low	34.3	Very low	147 Å²	147	151 Å²	151	75%	0.754	82%	0.817	S	S	*	*			trans	-126.4	127.1	-162.2	-61	168.8	0	0	0	111.5
108	S	35.2	Very low	33.9	Very low	104 Å²	104	151.6 Å²	151.6	73%	0.727	82%	0.819	S	S	*	*			trans	167.6	151.5	147.3	40.1	0	0	0	0	110
109	K	34.3	Very low	33.7	Very low	196 Å²	196	153.3 Å²	153.3	85%	0.852	82%	0.82	S	S	*	*			cis	-160	133.9	-15	-105.3	170.4	-176.8	175.4	0	106.3
110	P	29.9	Very low	33.6	Very low	128 Å²	128	152 Å²	152	83%	0.831	81%	0.814	S	S	*	*			trans	-90.2	145.4	168.6	34.2	-31.3	0	0	0	111.6
111	I	34.6	Very low	33.6	Very low	168 Å²	168	152.5 Å²	152.5	86%	0.862	82%	0.818	S	S	*	*			trans	-117	136.1	164.9	-74.6	176.6	0	0	0	108.2
112	S	29.7	Very low	33.6	Very low	105 Å²	105	152.7 Å²	152.7	73%	0.734	82%	0.819	S	S	*	*			trans	-98.2	150.7	176.8	179.7	0	0	0	0	110.2
113	I	33.9	Very low	33.4	Very low	153 Å²	153	154.3 Å²	154.3	79%	0.785	81%	0.813	S	S	*	*			trans	-162.5	140.4	139.6	-103.3	152.8	0	0	0	111.2
114	D	32.4	Very low	33.3	Very low	147 Å²	147	156.4 Å²	156.4	79%	0.786	82%	0.824	S	S	*	*			trans	36.5	108.1	163.2	-61.8	-9	0	0	0	122.4
115	S	27.6	Very low	32.8	Very low	110 Å²	110	154.1 Å²	154.1	77%	0.769	81%	0.814	S	S	*	*			trans	-79.5	130.8	152.2	57.1	0	0	0	0	112.3
116	N	30.8	Very low	32.7	Very low	161 Å²	161	155.6 Å²	155.6	86%	0.861	81%	0.813	S	S	*	*			trans	-158	172.6	149.3	-101.1	-45.7	0	0	0	110.9
117	E	32.2	Very low	32.2	Very low	189 Å²	189	154.6 Å²	154.6	88%	0.883	80%	0.798	S	S	*	*			trans	63.8	52.4	176.2	-54.8	-147.8	146.1	0	0	118.1
118	L	31.5	Very low	32.1	Very low	179 Å²	179	157.1 Å²	157.1	94%	0.937	80%	0.803	S	S	*	*			trans	-139.6	71.3	155	-109.7	157.1	0	0	0	111.8
119	R	28.9	Very low	32	Very low	235 Å²	235	161.8 Å²	161.8	89%	0.887	81%	0.806	S	S	*	*			trans	-115.7	157	160.3	-83.3	-174.6	171.2	179.5	-1.4	109.2
120	N	35	Very low	31.8	Very low	141 Å²	141	158.2 Å²	158.2	75%	0.754	81%	0.806	S	S	*	*	S	Bend	trans	74	64	177.6	-47.9	-20.6	0	0	0	115.5
121	N	35.6	Very low	31.9	Very low	169 Å²	169	157.9 Å²	157.9	90%	0.904	81%	0.807	S	S	*	*				-155.6	144.2	103.9	-91.1	-41.4	0	0	0	110.2
122	T	32.8	Very low	31.6	Very low	115 Å²	115	157.9 Å²	157.9	71%	0.706	80%	0.803	S	S	*	*			trans	-128.5	157.3	-171.2	63.8	0	0	0	0	111.6
123	K	34.1	Very low	31.5	Very low	180 Å²	180	163.4 Å²	163.4	78%	0.783	81%	0.81	S	S	*	*			trans	70.5	92.2	168.8	-52.6	163.5	-174.2	175.9	0	115.6
124	L	33.4	Very low	31.3	Very low	176 Å²	176	159.7 Å²	159.7	92%	0.921	81%	0.81	S	S	*	*				-139.7	155.8	87.9	-139.2	69	0	0	0	110.3
125	F	30.7	Very low	31.1	Very low	165 Å²	165	161.5 Å²	161.5	72%	0.724	81%	0.813	S	S	*	*			trans	-110.7	136.6	-167.2	-123.4	-112.8	0	0	0	110.1
126	E	29.7	Very low	31.2	Very low	149 Å²	149	165.1 Å²	165.1	70%	0.696	82%	0.818	S	S	*	*			trans	57.7	159	148.3	-72.2	-177.3	154.7	0	0	119.1
127	H	30.6	Very low	31	Very low	129 Å²	129	165.3 Å²	165.3	60%	0.597	81%	0.813	S	S	*	*			cis	-143.7	153.1	14.4	-138.3	26.5	0	0	0	109.9	Y129	H127-Y129 AromaticContact CD2-CD2 3.76Å; H127-Y129 AromaticContact CD2-CE2 3.48Å; H127-Y129 VanDerWaalsContact CD2-CE2 3.48Å; H127-Y129 WeakPolarHBondContact CD2-CE2 3.1Å; H127-Y129 AromaticContact NE2-CE2 3.71Å
128	K	31.8	Very low	31	Very low	201 Å²	201	164.6 Å²	164.6	87%	0.874	81%	0.809	S	S	*	*			trans	-94.6	118.8	167.9	-76.1	-174.2	179.3	-179.8	0	109.5
129	Y	32	Very low	30.9	Very low	201 Å²	201	164.7 Å²	164.7	79%	0.788	80%	0.803	S	S	*	*			trans	-138.5	132.1	159.8	-89.2	-79.7	0	0	0	110.5	H127	H127-Y129 AromaticContact CD2-CD2 3.76Å; H127-Y129 AromaticContact CD2-CE2 3.48Å; H127-Y129 VanDerWaalsContact CD2-CE2 3.48Å; H127-Y129 WeakPolarHBondContact CD2-CE2 3.1Å; H127-Y129 AromaticContact NE2-CE2 3.71Å
130	S	30.1	Very low	31.2	Very low	121 Å²	121	162 Å²	162	85%	0.846	80%	0.8	S	S	*	*			trans	-80.5	135.2	169.7	-56.7	0	0	0	0	109.5
131	S	31.9	Very low	31.2	Very low	122 Å²	122	163 Å²	163	85%	0.853	80%	0.804	S	S	*	*			trans	-138.1	138.5	157	-83.5	0	0	0	0	110
132	E	28.7	Very low	31.8	Very low	167 Å²	167	160.8 Å²	160.8	78%	0.78	80%	0.796	S	S	*	*			trans	-76.1	168.5	176.8	-60.1	163	92.1	0	0	111.6
133	Y	28.5	Very low	32.6	Very low	221 Å²	221	160.8 Å²	160.8	87%	0.867	80%	0.801	S	S	*	*	S	Bend	trans	57.5	109.5	167.9	-67.2	-80.6	0	0	0	119.1
134	G	28.1	Very low	33.6	Very low	76 Å²	76	155.8 Å²	155.8	78%	0.784	78%	0.783	S	S	*	*			trans	90	84.6	144.4	0	0	0	0	0	117.1
135	Q	28.3	Very low	35.4	Very low	184 Å²	184	150.8 Å²	150.8	86%	0.86	76%	0.763	S	S	*	*			trans	-135	121.6	161.8	-68.5	-169.7	0.3	0	0	111.7	H137	Q135-H137 PolarHBondContact O-N 3.44Å
136	H	29.8	Very low	37.1	Very low	187 Å²	187	149.1 Å²	149.1	87%	0.866	76%	0.761	S	S	*	*			trans	-59.2	132.4	165.3	-79.7	-112.9	0	0	0	109.3	Q138	H136-Q138 PolarHBondContact O-N 3.01Å
137	H	27.1	Very low	39	Very low	165 Å²	165	151.8 Å²	151.8	76%	0.764	77%	0.765	S	S	*	*			trans	-74.7	72.5	167.5	-83.6	44.6	0	0	0	110.2	Q135 F139	Q135-H137 PolarHBondContact O-N 3.44Å; H137-F139 PolarHBondContact O-N 3.44Å; H137-F139 VanDerWaalsContact O-N 3.1Å
138	Q	31.6	Very low	40.9	Very low	173 Å²	173	151.6 Å²	151.6	81%	0.808	76%	0.762	S	S	*	*			trans	-70.2	102.1	165.4	-169.5	178.4	28	0	0	107.6	H136 Q140	H136-Q138 PolarHBondContact O-N 3.01Å; Q138-Q140 PolarHBondContact O-N 3.06Å
139	F	31.1	Very low	42.6	Very low	182 Å²	182	146.5 Å²	146.5	80%	0.798	74%	0.741	S	S	*	*			trans	-59.4	98.4	179.7	-70.8	-87.6	0	0	0	110.7	H137 I141	H137-F139 PolarHBondContact O-N 3.44Å; H137-F139 VanDerWaalsContact O-N 3.1Å; F139-I141 PolarHBondContact O-N 3.45Å
140	Q	33.9	Very low	44.2	Very low	178 Å²	178	145.9 Å²	145.9	83%	0.832	74%	0.738	S	S	*	*			trans	-63.5	110.6	167.3	-72	-170.5	-6.5	0	0	108.1	Q138 T142	Q138-Q140 PolarHBondContact O-N 3.06Å; Q140-T142 PolarHBondContact O-N 3Å
141	I	36.6	Very low	45.6	Very low	163 Å²	163	145.3 Å²	145.3	84%	0.836	72%	0.724	S	S	*	*			trans	-65.1	100.4	178.1	-58.9	175.4	0	0	0	107.4	F139 S143	F139-I141 PolarHBondContact O-N 3.45Å; I141-S143 PolarHBondContact O-N 3.17Å
142	T	46.5	Very low	46.8	Very low	121 Å²	121	143.8 Å²	143.8	74%	0.742	71%	0.706	S	S	*	*			trans	-59.9	126.1	-179.5	50.9	0	0	0	0	109.4	Q140 L144	Q140-T142 PolarHBondContact O-N 3Å; T142-L144 PolarHBondContact O-N 2.95Å
143	S	51.2	Low	48.2	Very low	115 Å²	115	144.5 Å²	144.5	80%	0.804	70%	0.702	S	S	*	*			trans	-64	113.3	-170	46.7	0	0	0	0	110.6	I141 S145	I141-S143 PolarHBondContact O-N 3.17Å; S143-S145 PolarHBondContact O-N 3.45Å
144	L	54.7	Low	49.2	Very low	76 Å²	76	139.1 Å²	139.1	40%	0.398	69%	0.688	S	S	.	*			trans	-57.3	130.7	177.9	-66.3	176.6	0	0	0	109.4	T142 K148 Q149 L152	T142-L144 PolarHBondContact O-N 2.95Å; L144-K148 HydrophobicContact CB-CB 4.1Å; L144-K148 HydrophobicContact CD2-CB 4.47Å; L144-K148 HydrophobicContact CD2-CD 3.98Å; L144-Q149 HydrophobicContact CB-CG 4.11Å; L144-Q149 WeakPolarHBondContact O-CG 3.41Å; L144-Q149 PolarHBondContact O-NE2 3.38Å; L144-L152 HydrophobicContact CD1-CD1 3.52Å
145	S	71.7	Confident	50.2	Low	71 Å²	71	142.6 Å²	142.6	50%	0.497	68%	0.684	S	S	.	*			trans	-61.8	155	179.4	74.5	0	0	0	0	111.7	S143 R147 K148 Q149	S143-S145 PolarHBondContact O-N 3.45Å; S145-R147 PolarHBondContact O-N 2.9Å; S145-K148 WeakPolarHBondContact O-CA 3.43Å; S145-K148 PolarHBondContact O-N 2.91Å; S145-Q149 PolarHBondContact O-N 3.14Å
146	N	66.5	Low	51.2	Low	129 Å²	129	141.3 Å²	141.3	69%	0.69	68%	0.677	S	S	*	*	H	α-helix	trans	-51.6	-28.3	-177.7	-81.6	-25.3	0	0	0	114.2	R150	N146-R150 WeakPolarHBondContact O-CB 3.29Å; N146-R150 PolarHBondContact O-N 2.76Å
147	R	69.6	Low	51.8	Low	205 Å²	205	139.1 Å²	139.1	77%	0.774	67%	0.668	S	S	*	*	H	α-helix	trans	-68.4	-44.9	173.4	-168.1	177.1	-177.5	-169.7	0.2	112	S145 L151	S145-R147 PolarHBondContact O-N 2.9Å; R147-L151 WeakPolarHBondContact O-CG 3.45Å; R147-L151 PolarHBondContact O-N 2.89Å
148	K	69.5	Low	52.7	Low	126 Å²	126	139.2 Å²	139.2	55%	0.548	67%	0.668	S	S	.	*	H	α-helix	trans	-67.9	-38.9	175.4	-69.7	-172.5	178.3	-177.5	0	111.6	L144 S145 L151 L152	L144-K148 HydrophobicContact CB-CB 4.1Å; L144-K148 HydrophobicContact CD2-CB 4.47Å; L144-K148 HydrophobicContact CD2-CD 3.98Å; S145-K148 WeakPolarHBondContact O-CA 3.43Å; S145-K148 PolarHBondContact O-N 2.91Å; K148-L151 PolarHBondContact O-N 2.85Å; K148-L152 PolarHBondContact O-N 2.86Å; K148-L152 VanDerWaalsContact O-N 3.12Å
149	Q	67.1	Low	53.7	Low	93 Å²	93	136 Å²	136	44%	0.435	66%	0.662	S	S	.	*	H	α-helix	trans	-62	-44.6	174.6	-63.9	-173	23.1	0	0	112.4	L144 S145 L151 L152 R153	L144-Q149 HydrophobicContact CB-CG 4.11Å; L144-Q149 WeakPolarHBondContact O-CG 3.41Å; L144-Q149 PolarHBondContact O-NE2 3.38Å; S145-Q149 PolarHBondContact O-N 3.14Å; Q149-L151 PolarHBondContact O-N 2.63Å; Q149-L152 PolarHBondContact O-N 2.96Å; Q149-R153 WeakPolarHBondContact O-CB 3.46Å; Q149-R153 PolarHBondContact O-N 2.84Å
150	R	66.8	Low	54.7	Low	189 Å²	189	133.5 Å²	133.5	71%	0.713	66%	0.664	S	S	*	*	H	α-helix	trans	-59.3	-44.9	175.5	-89.6	179.9	137.5	163.7	-5.5	112.5	N146 L152 R153 N154	N146-R150 WeakPolarHBondContact O-CB 3.29Å; N146-R150 PolarHBondContact O-N 2.76Å; R150-L152 PolarHBondContact O-N 3.14Å; R150-R153 PolarHBondContact O-N 2.91Å; R150-N154 PolarHBondContact O-N 2.73Å; R150-N154 PolarHBondContact O-OD1 2.91Å
151	L	58.4	Low	55.5	Low	108 Å²	108	134.7 Å²	134.7	57%	0.565	66%	0.661	S	S	*	*	H	α-helix	trans	-61.9	-42	178.8	-69.8	168.1	0	0	0	112.3	R147 K148 Q149 H155	R147-L151 WeakPolarHBondContact O-CG 3.45Å; R147-L151 PolarHBondContact O-N 2.89Å; K148-L151 PolarHBondContact O-N 2.85Å; Q149-L151 PolarHBondContact O-N 2.63Å; L151-H155 PolarHBondContact O-N 3.17Å
152	L	57.6	Low	56.6	Low	90 Å²	90	130.4 Å²	130.4	47%	0.471	65%	0.65	S	S	.	*	H	α-helix	trans	-66.1	-37.9	174.4	-73.2	167.5	0	0	0	112.6	L144 K148 Q149 R150 H155 H156	L144-L152 HydrophobicContact CD1-CD1 3.52Å; K148-L152 PolarHBondContact O-N 2.86Å; K148-L152 VanDerWaalsContact O-N 3.12Å; Q149-L152 PolarHBondContact O-N 2.96Å; R150-L152 PolarHBondContact O-N 3.14Å; L152-H155 PolarHBondContact O-N 2.97Å; L152-H156 PolarHBondContact O-ND1 3.35Å
153	R	57.2	Low	57.4	Low	183 Å²	183	130.7 Å²	130.7	69%	0.691	65%	0.654	S	S	*	*	H	α-helix	trans	-66.4	-42.5	179.8	-156.3	172.9	-159.7	149.9	4.1	111.9	Q149 R150 H155 H156	Q149-R153 WeakPolarHBondContact O-CB 3.46Å; Q149-R153 PolarHBondContact O-N 2.84Å; R150-R153 PolarHBondContact O-N 2.91Å; R153-H155 PolarHBondContact O-N 2.94Å; R153-H156 PolarHBondContact O-N 2.7Å
154	N	49.9	Very low	57.7	Low	108 Å²	108	132.2 Å²	132.2	58%	0.578	65%	0.648	S	S	*	*	H	α-helix	trans	-60.5	-34	175	-69.4	12.5	0	0	0	112	R150 H156 Q157	R150-N154 PolarHBondContact O-N 2.73Å; R150-N154 PolarHBondContact O-OD1 2.91Å; N154-H156 PolarHBondContact O-N 3.07Å; N154-Q157 PolarHBondContact O-N 3.47Å
155	H	50	Low	58.7	Low	149 Å²	149	133.9 Å²	133.9	69%	0.69	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.1	-11.4	-179.2	-126.4	-50	0	0	0	114.7	L151 L152 R153	L151-H155 PolarHBondContact O-N 3.17Å; L152-H155 PolarHBondContact O-N 2.97Å; R153-H155 PolarHBondContact O-N 2.94Å
156	H	47.7	Very low	58.8	Low	156 Å²	156	135.9 Å²	135.9	72%	0.722	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.2	13.1	179.6	-69.1	82.4	0	0	0	113.1	L152 R153 N154	L152-H156 PolarHBondContact O-ND1 3.35Å; R153-H156 PolarHBondContact O-N 2.7Å; N154-H156 PolarHBondContact O-N 3.07Å
157	Q	42.3	Very low	59	Low	142 Å²	142	135.3 Å²	135.3	66%	0.664	68%	0.678	S	S	*	*			trans	-113	50.7	-179.8	-69.1	-168.8	-52.7	0	0	113	N154	N154-Q157 PolarHBondContact O-N 3.47Å
158	H	47.7	Very low	59.3	Low	166 Å²	166	131 Å²	131	77%	0.769	68%	0.677	S	S	*	*			trans	-90.5	119.7	154.6	-71.9	-62.2	0	0	0	108.6
159	P	52.4	Low	59.5	Low	106 Å²	106	130.2 Å²	130.2	69%	0.688	68%	0.684	S	S	*	*			trans	-64.6	153.1	172.6	28.8	-34.3	0	0	0	109.9	R161	P159-R161 PolarHBondContact O-N 2.94Å
160	P	52.2	Low	59.4	Low	129 Å²	129	131 Å²	131	84%	0.838	70%	0.698	S	S	*	*			trans	-59.9	115.1	177.7	25.2	-33.5	0	0	0	109.6	A162	P160-A162 PolarHBondContact O-N 3.4Å
161	R	50.4	Low	59.4	Low	203 Å²	203	127.9 Å²	127.9	77%	0.766	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-64.2	117.4	173	-170.1	178.9	-167.8	-174.4	2.6	107.1	P159 H164	P159-R161 PolarHBondContact O-N 2.94Å; R161-H164 WeakPolarHBondContact CD-NE2 3.49Å; R161-H164 PolarHBondContact NE-NE2 3.03Å; R161-H164 PolarHBondContact NH1-NE2 3.26Å; R161-H164 PolarHBondContact NH2-NE2 2.9Å
162	A	58.6	Low	59.1	Low	74 Å²	74	130.9 Å²	130.9	61%	0.612	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-52.2	143.5	179.6	0	0	0	0	0	110.7	P160 H164	P160-A162 PolarHBondContact O-N 3.4Å; A162-H164 PolarHBondContact O-N 3.21Å
163	P	63.6	Low	59.1	Low	126 Å²	126	132.5 Å²	132.5	82%	0.818	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-60.1	127.9	179.5	25.5	-33.8	0	0	0	109.6
164	H	57.5	Low	58.4	Low	148 Å²	148	132 Å²	132	69%	0.685	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-68.8	136.2	170.2	-67.5	-84.9	0	0	0	108.4	R161 A162	R161-H164 WeakPolarHBondContact CD-NE2 3.49Å; R161-H164 PolarHBondContact NE-NE2 3.03Å; R161-H164 PolarHBondContact NH1-NE2 3.26Å; R161-H164 PolarHBondContact NH2-NE2 2.9Å; A162-H164 PolarHBondContact O-N 3.21Å
165	P	75.8	Confident	57.9	Low	110 Å²	110	135 Å²	135	71%	0.714	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-62.8	147.8	174.5	27.8	-34.4	0	0	0	110.1
166	P	74.2	Confident	57.4	Low	114 Å²	114	135.3 Å²	135.3	74%	0.74	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-62.9	149.1	174.8	28	-34.7	0	0	0	110.7
167	P	71.5	Confident	56.8	Low	116 Å²	116	132.2 Å²	132.2	75%	0.753	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-63.2	146.2	171.4	28.8	-34.5	0	0	0	110.3
168	P	74.9	Confident	56.6	Low	116 Å²	116	132.4 Å²	132.4	75%	0.753	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-66	148	177.6	28.4	-34.8	0	0	0	111.1
169	P	73.7	Confident	56.3	Low	109 Å²	109	133.2 Å²	133.2	71%	0.708	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-66.4	150.7	176.6	28.8	-35.1	0	0	0	111.5
170	P	65.5	Low	55.5	Low	110 Å²	110	135.9 Å²	135.9	71%	0.714	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-64.9	146.4	171.3	29.4	-34.6	0	0	0	110.8	H172	P170-H172 PolarHBondContact O-N 3.28Å
171	P	66.3	Low	54.8	Low	123 Å²	123	136.2 Å²	136.2	80%	0.799	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-70.6	128.6	-176.8	28	-34.2	0	0	0	111.4	P173	P171-P173 WeakPolarHBondContact O-CD 3.32Å
172	H	53.2	Low	54.1	Low	171 Å²	171	133.3 Å²	133.3	79%	0.792	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-66.6	125.6	173.8	-59.4	-89.6	0	0	0	111.1	P170	P170-H172 PolarHBondContact O-N 3.28Å
173	P	56.3	Low	53.4	Low	123 Å²	123	138.8 Å²	138.8	80%	0.799	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-67.2	131.3	165	-17.1	32.1	0	0	0	110	P171 H175	P171-P173 WeakPolarHBondContact O-CD 3.32Å; P173-H175 PolarHBondContact O-N 3.29Å
174	L	43.4	Very low	52.2	Low	174 Å²	174	139.5 Å²	139.5	91%	0.911	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-65.2	120.7	179.3	-79	161.8	0	0	0	111	N176	L174-N176 PolarHBondContact O-N 3.06Å
175	H	37.9	Very low	51.3	Low	171 Å²	171	140 Å²	140	79%	0.792	77%	0.77	S	S	*	*			trans	-76	115	176.7	-163.9	98.2	0	0	0	110.1	P173	P173-H175 PolarHBondContact O-N 3.29Å
176	N	39.5	Very low	49.5	Very low	155 Å²	155	143.2 Å²	143.2	83%	0.829	78%	0.778	S	S	*	*			trans	-131.7	120.7	162.8	-101.3	-27.7	0	0	0	107.5	L174	L174-N176 PolarHBondContact O-N 3.06Å
177	P	36.7	Very low	47.8	Very low	91 Å²	91	144.8 Å²	144.8	59%	0.591	79%	0.785	S	S	*	*			trans	-82	159.8	-174.4	34.3	-36.5	0	0	0	111.7
178	I	37.9	Very low	46	Very low	145 Å²	145	143.1 Å²	143.1	74%	0.744	78%	0.777	S	S	*	*				176.2	127.6	123.8	-92.4	155.9	0	0	0	111.2
179	Q	42	Very low	44.4	Very low	183 Å²	183	144.5 Å²	144.5	86%	0.855	78%	0.777	S	S	*	*			trans	58.1	113.5	159.5	-70.9	169.4	55.7	0	0	119.8
180	L	34.7	Very low	42.8	Very low	163 Å²	163	147 Å²	147	85%	0.853	78%	0.784	S	S	*	*			trans	-61	134.1	165.7	-65.5	130.3	0	0	0	111.9
181	N	36.6	Very low	41.5	Very low	136 Å²	136	148.1 Å²	148.1	73%	0.727	78%	0.783	S	S	*	*				-173.6	161	108	-95	4.6	0	0	0	111.4
182	D	37.4	Very low	40	Very low	141 Å²	141	145.5 Å²	145.5	75%	0.754	77%	0.767	S	S	*	*			trans	49.8	90.4	159.3	-51.9	-22.1	0	0	0	119.1
183	K	43.3	Very low	39.3	Very low	190 Å²	190	141.9 Å²	141.9	83%	0.826	76%	0.761	S	S	*	*				178.6	140.7	122.3	-99.1	166.4	-177.1	-179.1	0	115.2
184	L	38.9	Very low	38.7	Very low	141 Å²	141	145.1 Å²	145.1	74%	0.738	76%	0.763	S	S	*	*			trans	49.9	101.4	142.9	-56.3	166.5	0	0	0	116.8
185	M	38.5	Very low	38.4	Very low	159 Å²	159	146.2 Å²	146.2	78%	0.783	76%	0.756	S	S	*	*				50.2	63.7	56.2	-58.7	-66.5	-165.6	0	0	114.6
186	M	38.1	Very low	38.2	Very low	177 Å²	177	145.8 Å²	145.8	87%	0.872	76%	0.755	S	S	*	*			trans	-162.3	33.9	164.4	-107.7	-92	175.1	0	0	116.1
187	T	38.2	Very low	38	Very low	146 Å²	146	143.8 Å²	143.8	90%	0.896	75%	0.753	S	S	*	*			trans	-149.4	78.7	173.6	47.2	0	0	0	0	114.6
188	S	33.8	Very low	38	Very low	82 Å²	82	149.1 Å²	149.1	57%	0.573	77%	0.766	S	S	*	*			trans	-147.5	-19.4	168.1	56.6	0	0	0	0	115.2	L190 I191	S188-L190 PolarHBondContact O-N 2.68Å; S188-I191 PolarHBondContact O-N 3.33Å; S188-I191 VanDerWaalsContact O-N 3.09Å
189	N	40.7	Very low	38.2	Very low	144 Å²	144	146.9 Å²	146.9	77%	0.77	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.5	18.9	178.9	-73.9	-5.8	0	0	0	115.9
190	L	38.9	Very low	38	Very low	161 Å²	161	145.5 Å²	145.5	84%	0.843	76%	0.757	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.7	0.7	166.1	-111.7	74.6	0	0	0	113.8	S188	S188-L190 PolarHBondContact O-N 2.68Å
191	I	38.2	Very low	38	Very low	135 Å²	135	144.9 Å²	144.9	69%	0.692	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.6	-36.8	179.5	-62.2	179.6	0	0	0	112.1	S188 S193	S188-I191 PolarHBondContact O-N 3.33Å; S188-I191 VanDerWaalsContact O-N 3.09Å; I191-S193 VanDerWaalsContact C-N 3.25Å; I191-S193 PolarHBondContact O-N 3.36Å
192	S	36.6	Very low	38	Very low	68 Å²	68	147.4 Å²	147.4	48%	0.476	76%	0.756	S	S	.	*	G	3₁₀ helix	trans	-68.7	-17.1	178	-56.9	0	0	0	0	114.5	K194 Y195	S192-K194 PolarHBondContact O-N 2.73Å; S192-Y195 PolarHBondContact O-N 2.94Å
193	S	37.7	Very low	38.3	Very low	95 Å²	95	146 Å²	146	66%	0.664	75%	0.747	S	S	*	*	G	3₁₀ helix	trans	-66	-0.5	177.6	57.1	0	0	0	0	114.9	I191	I191-S193 VanDerWaalsContact C-N 3.25Å; I191-S193 PolarHBondContact O-N 3.36Å
194	K	43.3	Very low	38.3	Very low	191 Å²	191	140.2 Å²	140.2	83%	0.83	73%	0.725	S	S	*	*	G	3₁₀ helix	trans	-94	-6	167	-75.8	-179.7	177.5	172.3	0	114.8	S192	S192-K194 PolarHBondContact O-N 2.73Å
195	Y	38	Very low	39	Very low	196 Å²	196	139 Å²	139	77%	0.769	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.5	-6.4	-173.3	-77.1	-87.9	0	0	0	114.8	S192	S192-Y195 PolarHBondContact O-N 2.94Å
196	E	34.1	Very low	39.8	Very low	163 Å²	163	138.4 Å²	138.4	76%	0.762	72%	0.719	S	S	*	*			trans	-120.4	61.7	-168.1	-152.1	122.3	-129.6	0	0	113.9
197	S	33.3	Very low	40.8	Very low	113 Å²	113	137.2 Å²	137.2	79%	0.79	71%	0.712	S	S	*	*			trans	-150.9	30.8	162.5	-72.3	0	0	0	0	111.8	S199	S197-S199 VanDerWaalsContact C-N 3.28Å
198	K	37.6	Very low	41.5	Very low	202 Å²	202	132.1 Å²	132.1	88%	0.878	68%	0.682	S	S	*	*			trans	-97.1	28.3	166.6	-70.8	-175.8	-180	174.6	0	111.7	Q200	K198-Q200 PolarHBondContact O-N 3.04Å
199	S	41.4	Very low	42.6	Very low	98 Å²	98	134.1 Å²	134.1	69%	0.685	69%	0.693	S	S	*	*			trans	-60.6	97.4	167.3	51.8	0	0	0	0	109.6	S197 N201	S197-S199 VanDerWaalsContact C-N 3.28Å; S199-N201 PolarHBondContact O-N 3.48Å; S199-N201 VanDerWaalsContact O-N 3.14Å
200	Q	38.3	Very low	43.6	Very low	154 Å²	154	133.6 Å²	133.6	72%	0.72	68%	0.684	S	S	*	*			trans	36.7	67.3	152.4	-69	177.2	-20.7	0	0	115.7	K198 Y202	K198-Q200 PolarHBondContact O-N 3.04Å; Q200-Y202 HydrophobicContact CB-CD2 4.06Å; Q200-Y202 HydrophobicContact CG-CD2 4.1Å; Q200-Y202 HydrophobicContact CG-CE2 4.18Å; Q200-Y202 PolarHBondContact O-N 2.96Å
201	N	34.7	Very low	44.7	Very low	150 Å²	150	130.1 Å²	130.1	80%	0.802	66%	0.664	S	S	*	*			trans	-69.6	74.1	142.4	-89.8	-76.7	0	0	0	107.9	S199 L203	S199-N201 PolarHBondContact O-N 3.48Å; S199-N201 VanDerWaalsContact O-N 3.14Å; N201-L203 PolarHBondContact O-N 3.48Å
202	Y	37.2	Very low	45.7	Very low	190 Å²	190	130.5 Å²	130.5	75%	0.745	66%	0.657	S	S	*	*			trans	-64	79.6	148.2	-89.8	-75.3	0	0	0	106.1	Q200 D204	Q200-Y202 HydrophobicContact CB-CD2 4.06Å; Q200-Y202 HydrophobicContact CG-CD2 4.1Å; Q200-Y202 HydrophobicContact CG-CE2 4.18Å; Q200-Y202 PolarHBondContact O-N 2.96Å; Y202-D204 PolarHBondContact O-N 3.04Å; Y202-D204 VanDerWaalsContact O-N 3.1Å
203	L	42.8	Very low	46.7	Very low	110 Å²	110	132.8 Å²	132.8	58%	0.576	66%	0.659	S	S	*	*			trans	-54.6	116.3	154.1	-77.3	165.8	0	0	0	105.2	N201 L205 S208	N201-L203 PolarHBondContact O-N 3.48Å; L203-L205 PolarHBondContact O-N 3.37Å; L203-S208 WeakPolarHBondContact CB-OG 3.5Å
204	D	44.6	Very low	47.8	Very low	69 Å²	69	132.9 Å²	132.9	37%	0.369	65%	0.651	S	S	.	*			trans	-43.2	117.9	172	175.5	8.7	0	0	0	108	Y202 N206 Q207 S208	Y202-D204 PolarHBondContact O-N 3.04Å; Y202-D204 VanDerWaalsContact O-N 3.1Å; D204-N206 PolarHBondContact O-N 3.15Å; D204-N206 WeakPolarHBondContact OD1-CB 3.13Å; D204-N206 PolarHBondContact OD1-N 3.13Å; D204-N206 PolarHBondContact OD1-ND2 2.62Å; D204-Q207 HydrophobicContact CB-CB 4.27Å; D204-Q207 HydrophobicContact CB-CG 4.2Å; D204-Q207 PolarHBondContact O-N 3.04Å; D204-Q207 WeakPolarHBondContact OD2-CG 3.42Å; D204-Q207 PolarHBondContact OD2-NE2 3.47Å; D204-S208 PolarHBondContact O-N 3.15Å
205	L	53.1	Low	48.5	Very low	116 Å²	116	130.7 Å²	130.7	61%	0.607	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.3	-20.9	-170.1	-122.1	71.4	0	0	0	111.3	L203 P599	L203-L205 PolarHBondContact O-N 3.37Å; L205-P599 HydrophobicContact CD2-CB 4.27Å; L205-P599 HydrophobicContact CD2-CG 4.32Å
206	N	55.8	Low	49.7	Very low	146 Å²	146	127.4 Å²	127.4	78%	0.781	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.1	-20	175.6	-53.2	-70.4	0	0	0	113.8	D204	D204-N206 PolarHBondContact O-N 3.15Å; D204-N206 WeakPolarHBondContact OD1-CB 3.13Å; D204-N206 PolarHBondContact OD1-N 3.13Å; D204-N206 PolarHBondContact OD1-ND2 2.62Å
207	Q	57.6	Low	50.6	Low	153 Å²	153	123.4 Å²	123.4	72%	0.715	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.5	-11.6	-177.6	-64.8	-178	53.6	0	0	113.6	D204	D204-Q207 HydrophobicContact CB-CB 4.27Å; D204-Q207 HydrophobicContact CB-CG 4.2Å; D204-Q207 PolarHBondContact O-N 3.04Å; D204-Q207 WeakPolarHBondContact OD2-CG 3.42Å; D204-Q207 PolarHBondContact OD2-NE2 3.47Å
208	S	53.1	Low	51.5	Low	39 Å²	39	122.3 Å²	122.3	27%	0.273	60%	0.596	S	S	.	*	S	Bend	trans	-68.2	136.6	172.9	-69.3	0	0	0	0	111.1	L203 D204 K210	L203-S208 WeakPolarHBondContact CB-OG 3.5Å; D204-S208 PolarHBondContact O-N 3.15Å; S208-K210 PolarHBondContact O-N 3.43Å
209	P	58.8	Low	52.1	Low	123 Å²	123	114 Å²	114	80%	0.799	56%	0.561	S	S	*	*			trans	-58.9	109.3	172.1	-24.4	34.4	0	0	0	110.7	M211	P209-M211 PolarHBondContact O-N 2.7Å
210	K	61.2	Low	52.7	Low	133 Å²	133	118.2 Å²	118.2	58%	0.578	57%	0.568	S	S	*	*			trans	-52.3	135.2	179.4	-65	-177.1	-175.3	-177.5	0	110.4	S208 E596	S208-K210 PolarHBondContact O-N 3.43Å; K210-E596 WeakPolarHBondContact CD-OE2 3.43Å; K210-E596 WeakPolarHBondContact CE-OE2 3.12Å; K210-E596 IonicContact NZ-OE2 2.69Å; K210-E596 PolarHBondContact NZ-OE2 3.04Å
211	M	62	Low	53	Low	88 Å²	88	114.3 Å²	114.3	43%	0.433	56%	0.562	S	S	.	*			trans	-64.6	143.4	168.3	-170.9	160.7	59.7	0	0	108.9	P209 L597 R602	P209-M211 PolarHBondContact O-N 2.7Å; M211-L597 HydrophobicContact CB-CB 4.3Å; M211-L597 HydrophobicContact CB-CD1 4.03Å; M211-L597 HydrophobicContact CE-CD1 3.6Å; M211-L597 HydrophobicContact CG-CD1 3.59Å; M211-L597 WeakPolarHBondContact O-CB 3.4Å; M211-L597 PolarHBondContact O-N 3.15Å; M211-L597 HydrophobicContact SD-CD1 4.17Å; M211-R602 PolarHBondContact SD-NH2 3.49Å
212	R	59.5	Low	53.4	Low	144 Å²	144	112.4 Å²	112.4	54%	0.543	56%	0.561	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-127.9	131.5	175.8	-68.7	175.8	172.6	173	-2.4	108.2	V594 Q595 E596	R212-V594 HydrophobicContact CB-CG1 3.94Å; R212-V594 HydrophobicContact CG-CG1 4.27Å; R212-Q595 CarbonylContact C-O 3.51Å; R212-Q595 VanDerWaalsContact CA-O 3.25Å; R212-Q595 WeakPolarHBondContact CA-O 3.43Å; R212-E596 HydrophobicContact CG-CG 4.3Å; R212-E596 IonicContact CZ-OE1 2.83Å; R212-E596 VanDerWaalsContact CZ-OE1 3.24Å; R212-E596 IonicContact NE-OE1 2.67Å; R212-E596 PolarHBondContact NE-OE1 3.11Å; R212-E596 IonicContact NH2-OE1 3.1Å; R212-E596 PolarHBondContact NH2-OE1 3.29Å
213	F	56.4	Low	53.8	Low	116 Å²	116	108.1 Å²	108.1	51%	0.509	55%	0.554	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-84.8	143.5	167.1	-82.7	-33.9	0	0	0	109.7	V594 Q595 L597	F213-V594 WeakPolarHBondContact O-CA 3.37Å; F213-Q595 PolarHBondContact N-O 3.11Å; F213-Q595 PolarHBondContact O-N 3.31Å; F213-L597 HydrophobicContact CB-CD1 4.28Å; F213-L597 HydrophobicContact CD1-CD1 3.72Å; F213-L597 HydrophobicContact CD2-CD1 3.56Å; F213-L597 HydrophobicContact CD2-CD2 3.75Å; F213-L597 HydrophobicContact CD2-CG 3.78Å; F213-L597 HydrophobicContact CE1-CD1 3.88Å; F213-L597 HydrophobicContact CE2-CD1 3.74Å; F213-L597 HydrophobicContact CE2-CD2 3.61Å; F213-L597 HydrophobicContact CE2-CG 4.06Å; F213-L597 HydrophobicContact CG-CD1 3.54Å; F213-L597 HydrophobicContact CG-CG 4.15Å; F213-L597 HydrophobicContact CZ-CD1 3.89Å; F213-L597 HydrophobicContact CZ-CD2 4.32Å
214	I	62	Low	54.2	Low	97 Å²	97	106.3 Å²	106.3	50%	0.497	55%	0.549	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	99.7	-176.8	-70.7	166.9	0	0	0	105	I510 V592 E593	I214-I510 HydrophobicContact CD1-CD1 3.81Å; I214-I510 HydrophobicContact CG1-CD1 4.33Å; I214-I510 HydrophobicContact CG2-CD1 4.22Å; I214-V592 HydrophobicContact CG2-CG1 3.67Å; I214-E593 WeakPolarHBondContact CA-O 3.24Å
215	R	57.6	Low	54.6	Low	144 Å²	144	106.5 Å²	106.5	54%	0.543	55%	0.55	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	120.6	177.6	-54	-175.6	77.2	146.8	0.1	108.4	E593	R215-E593 HydrophobicContact CB-CB 4.29Å; R215-E593 PolarHBondContact N-O 2.82Å; R215-E593 PolarHBondContact O-N 3.23Å
216	K	62.5	Low	54.5	Low	128 Å²	128	108.2 Å²	108.2	56%	0.557	56%	0.559	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-85.1	112.4	173.2	174	170.4	161.3	159.8	0	108.7	E590	K216-E590 WeakPolarHBondContact CE-OE1 3.17Å; K216-E590 WeakPolarHBondContact CE-OE2 3.22Å; K216-E590 IonicContact NZ-OE1 2.7Å; K216-E590 PolarHBondContact NZ-OE1 3.28Å; K216-E590 IonicContact NZ-OE2 3.43Å; K216-E590 PolarHBondContact NZ-OE2 3.5Å
217	L	52.1	Low	54.3	Low	79 Å²	79	106.4 Å²	106.4	41%	0.414	55%	0.553	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-100.7	134.6	177.2	-57.6	177.6	0	0	0	108.9	E590 F591 E593	L217-E590 CarbonylContact O-C 3.56Å; L217-E590 WeakPolarHBondContact O-CA 3.38Å; L217-F591 HydrophobicContact CB-CB 4.46Å; L217-F591 PolarHBondContact N-O 3.22Å; L217-F591 PolarHBondContact O-N 2.86Å; L217-E593 HydrophobicContact CD1-CB 4.07Å
218	N	53.5	Low	54.1	Low	90 Å²	90	105.9 Å²	105.9	48%	0.481	55%	0.548	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	104.6	-177.5	-163.1	6.1	0	0	0	108.7	F220 S589	N218-F220 VanDerWaalsContact C-N 3.27Å; N218-F220 PolarHBondContact O-N 3.41Å; N218-F220 WeakPolarHBondContact OD1-CE2 3.44Å; N218-S589 PolarHBondContact OD1-O 3.27Å
219	T	50.8	Low	54.2	Low	26 Å²	26	110.3 Å²	110.3	16%	0.16	56%	0.563	C	S	.	*			trans	-87	55.7	-160.7	52.7	0	0	0	0	113.7	S589 F591	T219-S589 PolarHBondContact N-O 2.96Å; T219-S589 PolarHBondContact OG1-O 3.36Å; T219-F591 HydrophobicContact CG2-CD2 3.38Å; T219-F591 HydrophobicContact CG2-CE2 3.78Å; T219-F591 HydrophobicContact CG2-CG 4.22Å; T219-F591 WeakPolarHBondContact OG1-CE2 3.49Å
220	F	52.6	Low	54.1	Low	187 Å²	187	108.6 Å²	108.6	82%	0.82	55%	0.552	S	S	*	*	S	Bend	trans	-73.9	-14.3	161.9	-70.8	-74.6	0	0	0	112.5	N218	N218-F220 VanDerWaalsContact C-N 3.27Å; N218-F220 PolarHBondContact O-N 3.41Å; N218-F220 WeakPolarHBondContact OD1-CE2 3.44Å
221	A	44.5	Very low	53.9	Low	72 Å²	72	109 Å²	109	60%	0.595	56%	0.559	S	S	*	*	S	Bend	trans	-121.2	144.7	165.1	0	0	0	0	0	109.7
222	S	43.1	Very low	53.5	Low	111 Å²	111	114.7 Å²	114.7	78%	0.776	58%	0.575	S	S	*	*			trans	45	87.1	175.1	62.9	0	0	0	0	116.1
223	V	46.4	Very low	52.9	Low	99 Å²	99	111.8 Å²	111.8	60%	0.6	58%	0.577	S	S	*	*			trans	-79	130	164.4	177.1	0	0	0	0	109.2	D225	V223-D225 PolarHBondContact O-N 2.75Å
224	P	51.6	Low	52.4	Low	73 Å²	73	110.8 Å²	110.8	47%	0.474	59%	0.591	S	S	.	*			trans	-66.6	119	170.9	-18.5	31.7	0	0	0	110.7	L226	P224-L226 PolarHBondContact O-N 3.02Å
225	D	51.7	Low	51.8	Low	73 Å²	73	114.5 Å²	114.5	39%	0.39	61%	0.61	S	S	.	*			trans	-72.3	98.8	177.3	-178.5	-6.3	0	0	0	110.7	V223 T227 K228	V223-D225 PolarHBondContact O-N 2.75Å; D225-T227 PolarHBondContact O-N 2.89Å; D225-T227 VanDerWaalsContact O-N 3.13Å; D225-T227 WeakPolarHBondContact OD1-CB 3.36Å; D225-T227 PolarHBondContact OD1-N 2.94Å; D225-T227 PolarHBondContact OD1-OG1 3.32Å; D225-T227 PolarHBondContact OD2-OG1 3.31Å; D225-K228 HydrophobicContact CB-CD 4.1Å; D225-K228 HydrophobicContact CB-CG 4.36Å; D225-K228 PolarHBondContact O-N 2.9Å; D225-K228 VanDerWaalsContact O-N 3.15Å; D225-K228 VanDerWaalsContact OD2-CD 3.23Å; D225-K228 WeakPolarHBondContact OD2-CD 3.48Å; D225-K228 WeakPolarHBondContact OD2-CE 3.25Å; D225-K228 WeakPolarHBondContact OD2-CG 3.2Å; D225-K228 IonicContact OD2-NZ 2.76Å; D225-K228 PolarHBondContact OD2-NZ 2.93Å
226	L	51.7	Low	51.3	Low	151 Å²	151	116.8 Å²	116.8	79%	0.791	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.2	-5.5	-178.6	-58.3	-179.5	0	0	0	114	P224	P224-L226 PolarHBondContact O-N 3.02Å
227	T	51.1	Low	49.9	Very low	109 Å²	109	114.4 Å²	114.4	67%	0.669	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.3	-24.4	172.9	74	0	0	0	0	112.4	D225	D225-T227 PolarHBondContact O-N 2.89Å; D225-T227 VanDerWaalsContact O-N 3.13Å; D225-T227 WeakPolarHBondContact OD1-CB 3.36Å; D225-T227 PolarHBondContact OD1-N 2.94Å; D225-T227 PolarHBondContact OD1-OG1 3.32Å; D225-T227 PolarHBondContact OD2-OG1 3.31Å
228	K	53.4	Low	49.3	Very low	141 Å²	141	115.8 Å²	115.8	61%	0.613	65%	0.653	S	S	*	*	S	Bend	trans	-84	156	-178.4	-69.4	176.8	-179.8	167.3	0	111.7	D225	D225-K228 HydrophobicContact CB-CD 4.1Å; D225-K228 HydrophobicContact CB-CG 4.36Å; D225-K228 PolarHBondContact O-N 2.9Å; D225-K228 VanDerWaalsContact O-N 3.15Å; D225-K228 VanDerWaalsContact OD2-CD 3.23Å; D225-K228 WeakPolarHBondContact OD2-CD 3.48Å; D225-K228 WeakPolarHBondContact OD2-CE 3.25Å; D225-K228 WeakPolarHBondContact OD2-CG 3.2Å; D225-K228 IonicContact OD2-NZ 2.76Å; D225-K228 PolarHBondContact OD2-NZ 2.93Å
229	K	55.7	Low	48.6	Very low	132 Å²	132	122.7 Å²	122.7	57%	0.574	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-62.6	139.8	172.7	-69.9	-170	178.5	-168.7	0	109.2	I231 E555	K229-I231 PolarHBondContact O-N 3.18Å; K229-I231 VanDerWaalsContact O-N 3.14Å; K229-E555 IonicContact NZ-OE1 2.95Å; K229-E555 PolarHBondContact NZ-OE1 3.06Å
230	P	56.1	Low	47.9	Very low	88 Å²	88	129.4 Å²	129.4	57%	0.571	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-64.1	116.5	177.5	26.1	-33.5	0	0	0	110.2	R232	P230-R232 PolarHBondContact O-N 2.85Å
231	I	56.7	Low	47.3	Very low	141 Å²	141	125.6 Å²	125.6	72%	0.723	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-71.8	116.1	-177.2	-44.5	179.4	0	0	0	108.9	K229 S233	K229-I231 PolarHBondContact O-N 3.18Å; K229-I231 VanDerWaalsContact O-N 3.14Å; I231-S233 WeakPolarHBondContact CG2-OG 3.49Å; I231-S233 PolarHBondContact O-N 3.43Å
232	R	54.6	Low	46.9	Very low	207 Å²	207	127.1 Å²	127.1	78%	0.781	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.2	3.2	-173.1	-77.8	-180	154.3	-159.2	-5.5	115.5	P230 E554	P230-R232 PolarHBondContact O-N 2.85Å; R232-E554 IonicContact CZ-OE2 3.41Å; R232-E554 IonicContact NE-OE2 3.3Å; R232-E554 PolarHBondContact NE-OE2 3.2Å; R232-E554 IonicContact NH2-OE2 2.69Å; R232-E554 PolarHBondContact NH2-OE2 2.92Å
233	S	46.4	Very low	46.7	Very low	83 Å²	83	127.7 Å²	127.7	58%	0.58	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.9	-23.2	-173.9	53.6	0	0	0	0	115.1	I231 L235 K236	I231-S233 WeakPolarHBondContact CG2-OG 3.49Å; I231-S233 PolarHBondContact O-N 3.43Å; S233-L235 PolarHBondContact O-N 3.02Å; S233-K236 PolarHBondContact O-N 2.87Å
234	A	46.8	Very low	46.1	Very low	96 Å²	96	131.1 Å²	131.1	79%	0.793	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.4	-6.4	-168.7	0	0	0	0	0	116.4
235	L	49.3	Very low	45.3	Very low	174 Å²	174	139.3 Å²	139.3	91%	0.911	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.4	17.1	-176.2	-89.5	165.9	0	0	0	114	S233	S233-L235 PolarHBondContact O-N 3.02Å
236	K	47.5	Very low	44.5	Very low	192 Å²	192	140.3 Å²	140.3	84%	0.835	75%	0.751	S	S	*	*	S	Bend	trans	-130.6	70.2	-172.3	-154.4	176.4	-176	-176.9	0	115.4	S233	S233-K236 PolarHBondContact O-N 2.87Å
237	G	33.2	Very low	43.7	Very low	78 Å²	78	140.2 Å²	140.2	80%	0.804	75%	0.75	S	S	*	*			trans	106.4	110.1	150.1	0	0	0	0	0	116.8
238	S	38.5	Very low	42.9	Very low	109 Å²	109	142.1 Å²	142.1	76%	0.762	76%	0.756	S	S	*	*			trans	-136.9	81.2	142.5	-168.6	0	0	0	0	109.4
239	R	40	Very low	42.1	Very low	234 Å²	234	144.4 Å²	144.4	88%	0.883	77%	0.769	S	S	*	*			trans	-126.3	137.3	154.8	-78.1	179.1	167.5	158.6	-4	104.5
240	N	36	Very low	41.2	Very low	167 Å²	167	147 Å²	147	89%	0.893	78%	0.783	S	S	*	*	S	Bend	trans	91.3	42	178.4	-45	-8.3	0	0	0	117.6
241	S	38.6	Very low	40.1	Very low	107 Å²	107	150.1 Å²	150.1	75%	0.748	79%	0.79	S	S	*	*			trans	-144.5	151.9	139.4	67.6	0	0	0	0	108.6
242	S	37.3	Very low	39.1	Very low	104 Å²	104	150.6 Å²	150.6	73%	0.727	79%	0.789	S	S	*	*			cis	-116.8	143.2	-0.1	179.8	0	0	0	0	111.7
243	V	38.2	Very low	37.9	Very low	124 Å²	124	146.8 Å²	146.8	75%	0.752	79%	0.789	S	S	*	*			trans	-111.7	142.7	159.1	-178.1	0	0	0	0	106.4
244	H	33.5	Very low	37.5	Very low	171 Å²	171	150 Å²	150	79%	0.792	80%	0.804	S	S	*	*			trans	74.8	101.4	-169.9	-55.6	-84	0	0	0	116.1
245	R	35.5	Very low	36.8	Very low	244 Å²	244	155.9 Å²	155.9	92%	0.921	81%	0.806	S	S	*	*				-123.9	129.6	120.8	-171.2	166.8	-75.4	-119.3	2.1	108.1
246	S	34.8	Very low	36.1	Very low	94 Å²	94	153 Å²	153	66%	0.657	80%	0.8	S	S	*	*			trans	-58.6	138	177.9	9.3	0	0	0	0	111
247	I	33.5	Very low	35.6	Very low	149 Å²	149	151.4 Å²	151.4	76%	0.764	80%	0.8	S	S	*	*				74	131.2	74.1	-66.1	169.7	0	0	0	112.4
248	N	34.5	Very low	35.5	Very low	149 Å²	149	154.8 Å²	154.8	80%	0.797	80%	0.8	S	S	*	*			trans	72.3	148	-169.1	-58.8	-13.5	0	0	0	112.6
249	E	37.5	Very low	35.5	Very low	190 Å²	190	155.2 Å²	155.2	89%	0.888	80%	0.8	S	S	*	*			cis	-118.8	-176.5	20.6	-60.6	-173.7	138.3	0	0	115.3
250	H	36.1	Very low	35.4	Very low	186 Å²	186	151.3 Å²	151.3	86%	0.861	80%	0.796	S	S	*	*			trans	-71.4	161	176.7	-81.9	-56.8	0	0	0	111.7
251	E	34	Very low	35.3	Very low	153 Å²	153	150.1 Å²	150.1	72%	0.715	79%	0.79	S	S	*	*				-163.3	168.6	60.6	-95.7	-153.9	96.4	0	0	115.7
252	Q	34.5	Very low	35.1	Very low	151 Å²	151	149.7 Å²	149.7	71%	0.706	79%	0.787	S	S	*	*			trans	42.1	98.3	153.7	-62.9	174.4	44.7	0	0	118.4
253	V	30.2	Very low	35.2	Very low	128 Å²	128	152 Å²	152	78%	0.776	79%	0.79	S	S	*	*				67.2	86.2	56.3	-168.3	0	0	0	0	115.8
254	V	37	Very low	34.9	Very low	149 Å²	149	151.1 Å²	151.1	90%	0.903	79%	0.79	S	S	*	*			trans	-136.8	153	147.6	-177.8	0	0	0	0	108.8
255	R	32.3	Very low	35.1	Very low	221 Å²	221	153.3 Å²	153.3	83%	0.834	80%	0.798	S	S	*	*			trans	-113.9	148	-168.8	-58.3	170.4	176.1	153.2	-3.1	113.3
256	S	36.1	Very low	34.8	Very low	113 Å²	113	146.5 Å²	146.5	79%	0.79	79%	0.788	S	S	*	*			trans	145.5	150	144.8	55	0	0	0	0	112.3
257	L	36.1	Very low	34.8	Very low	159 Å²	159	150 Å²	150	83%	0.832	80%	0.798	S	S	*	*			cis	-155.6	145.7	-27.1	-139.6	95.5	0	0	0	108
258	N	31.2	Very low	34.7	Very low	149 Å²	149	149 Å²	149	80%	0.797	80%	0.799	S	S	*	*			trans	-91.3	156.6	175.9	-75	0.4	0	0	0	113
259	P	37.6	Very low	34.9	Very low	118 Å²	118	147 Å²	147	77%	0.766	79%	0.794	S	S	*	*				-131.2	143.1	115.9	35.7	-27	0	0	0	111.2
260	L	37.9	Very low	34.7	Very low	151 Å²	151	145.7 Å²	145.7	79%	0.791	79%	0.793	S	S	*	*			cis	113.8	152.9	32	-94	168.5	0	0	0	110.8
261	N	35	Very low	34.4	Very low	143 Å²	143	143.8 Å²	143.8	77%	0.765	79%	0.787	S	S	*	*			trans	78.6	111.5	-167.9	-47.4	-7.2	0	0	0	112
262	S	34	Very low	34.4	Very low	98 Å²	98	144.8 Å²	144.8	69%	0.685	80%	0.797	S	S	*	*			cis	69.5	140.7	39.2	97.2	0	0	0	0	112.4
263	D	39.2	Very low	34.3	Very low	151 Å²	151	145.8 Å²	145.8	81%	0.807	80%	0.801	S	S	*	*			cis	-123.2	170.2	28.1	-63.6	-42.5	0	0	0	116.5
264	S	33.4	Very low	34.3	Very low	107 Å²	107	147.4 Å²	147.4	75%	0.748	81%	0.805	S	S	*	*			trans	-92.6	161.7	171.9	-54	0	0	0	0	111.3
265	F	35.8	Very low	34.4	Very low	216 Å²	216	149 Å²	149	95%	0.947	80%	0.803	S	S	*	*				-167.2	136.2	124	-97.3	-62.8	0	0	0	111
266	S	30.7	Very low	34.7	Very low	102 Å²	102	146.5 Å²	146.5	71%	0.713	80%	0.803	S	S	*	*			trans	-104.4	155.1	169	53.4	0	0	0	0	110
267	L	33.8	Very low	34.5	Very low	168 Å²	168	152.3 Å²	152.3	88%	0.88	81%	0.807	S	S	*	*				172.3	142.8	126.6	-91	162.8	0	0	0	111.8
268	T	31.5	Very low	34.5	Very low	126 Å²	126	152.7 Å²	152.7	77%	0.773	80%	0.804	S	S	*	*			trans	-107.6	-178.3	166.5	47.1	0	0	0	0	108.8
269	P	38.4	Very low	34.6	Very low	107 Å²	107	153 Å²	153	70%	0.695	81%	0.806	S	S	*	*			cis	-124.3	-174.4	-39.1	34.6	-18.9	0	0	0	111.1
270	L	33.9	Very low	34.5	Very low	164 Å²	164	153 Å²	153	86%	0.859	80%	0.803	S	S	*	*				-167.6	172.8	127.9	-129.2	75	0	0	0	112.8
271	I	30.7	Very low	34.3	Very low	146 Å²	146	153.5 Å²	153.5	75%	0.749	80%	0.801	S	S	*	*			trans	-121.7	142.8	178.8	-61.4	161.4	0	0	0	108.4
272	L	34	Very low	34.2	Very low	174 Å²	174	152.7 Å²	152.7	91%	0.911	80%	0.796	S	S	*	*			trans	-155	159.8	150.4	-143.2	69.8	0	0	0	111.3
273	E	30.8	Very low	34.2	Very low	172 Å²	172	156.9 Å²	156.9	80%	0.804	80%	0.804	S	S	*	*			trans	-107.7	171.9	-169.5	-60.3	175.9	123.5	0	0	113.2
274	D	31.9	Very low	33.9	Very low	161 Å²	161	153.1 Å²	153.1	86%	0.861	79%	0.79	S	S	*	*			trans	44.8	118.2	155.2	-100.4	14.2	0	0	0	120.6
275	E	39.2	Very low	33.8	Very low	184 Å²	184	153 Å²	153	86%	0.86	79%	0.789	S	S	*	*				-162.1	173	114.5	-119.8	-174.2	178.3	0	0	114.1
276	M	36.8	Very low	33.7	Very low	168 Å²	168	148.7 Å²	148.7	83%	0.828	78%	0.776	S	S	*	*			trans	69.6	75.6	170.1	-61.8	-154	-75.9	0	0	119.2
277	R	32.3	Very low	33.9	Very low	234 Å²	234	152.1 Å²	152.1	88%	0.883	79%	0.785	S	S	*	*			trans	-62.4	135	148.3	-55.6	163.3	173.9	-123.2	-2.8	110.4
278	H	36.9	Very low	33.9	Very low	167 Å²	167	147.1 Å²	147.1	77%	0.773	77%	0.765	S	S	*	*			trans	-166.7	130.9	151.6	-95	-55.7	0	0	0	113.4
279	L	33.8	Very low	34.1	Very low	157 Å²	157	148.4 Å²	148.4	82%	0.822	77%	0.767	S	S	*	*			trans	67.1	147.7	152.9	-57.9	169.2	0	0	0	118.5
280	V	33.9	Very low	33.9	Very low	117 Å²	117	148.8 Å²	148.8	71%	0.709	77%	0.767	S	S	*	*			cis	-159.7	152.6	-28.5	94.9	0	0	0	0	111
281	H	33.7	Very low	34	Very low	162 Å²	162	147.8 Å²	147.8	75%	0.75	76%	0.761	S	S	*	*			trans	35.8	139.7	161.1	-76.4	-21.4	0	0	0	126.1
282	L	34	Very low	34.2	Very low	126 Å²	126	147.6 Å²	147.6	66%	0.66	76%	0.759	S	S	*	*			trans	48.3	114.8	140.4	-81.9	72.4	0	0	0	120.7
283	H	34.2	Very low	34.2	Very low	185 Å²	185	145.5 Å²	145.5	86%	0.856	75%	0.748	S	S	*	*				-154.9	131.9	99.2	-106.9	-88.6	0	0	0	107.1
284	S	31.3	Very low	34.4	Very low	72 Å²	72	144.8 Å²	144.8	50%	0.503	75%	0.749	S	S	.	*			cis	71.3	91.5	31.3	-57.9	0	0	0	0	115.3
285	S	32.9	Very low	34.6	Very low	104 Å²	104	145.4 Å²	145.4	73%	0.727	74%	0.744	S	S	*	*			trans	70.7	139.2	132.5	59	0	0	0	0	122.5
286	D	33	Very low	34.2	Very low	127 Å²	127	142.8 Å²	142.8	68%	0.679	74%	0.743	S	S	*	*			trans	83.3	113.3	148.8	-72.4	-54	0	0	0	122.6	S288	D286-S288 WeakPolarHBondContact OD1-CB 3.37Å; D286-S288 PolarHBondContact OD1-OG 2.95Å
287	L	36	Very low	34.1	Very low	173 Å²	173	142.3 Å²	142.3	91%	0.906	74%	0.742	S	S	*	*			trans	168.8	70.6	151	-95.8	161	0	0	0	105.8
288	S	32.8	Very low	34.3	Very low	64 Å²	64	136.2 Å²	136.2	45%	0.448	74%	0.735	S	S	.	*			cis	70	130.3	32.6	-55	0	0	0	0	113.3	D286	D286-S288 WeakPolarHBondContact OD1-CB 3.37Å; D286-S288 PolarHBondContact OD1-OG 2.95Å
289	N	35.2	Very low	34	Very low	153 Å²	153	137.8 Å²	137.8	82%	0.818	74%	0.74	S	S	*	*			trans	76.7	137.3	-166.2	-47.8	-49.9	0	0	0	113.3
290	T	34.1	Very low	34	Very low	114 Å²	114	137 Å²	137	70%	0.699	74%	0.741	S	S	*	*			cis	-173.4	150.2	2.2	-108.3	0	0	0	0	107
291	I	35.6	Very low	33.8	Very low	144 Å²	144	137.9 Å²	137.9	74%	0.738	74%	0.742	S	S	*	*			cis	-170.2	150.4	-7.9	-100.2	174.2	0	0	0	104.1
292	M	35.5	Very low	33.9	Very low	141 Å²	141	141.4 Å²	141.4	70%	0.695	75%	0.751	S	S	*	*			cis	-168.9	169	-12.1	-98.2	-100.7	-78.2	0	0	108.1
293	N	35.3	Very low	33.9	Very low	130 Å²	130	140.6 Å²	140.6	70%	0.695	75%	0.751	S	S	*	*			trans	68.7	142.8	155.5	-73	-18.4	0	0	0	118.8
294	I	34.6	Very low	33.7	Very low	158 Å²	158	139.3 Å²	139.3	81%	0.81	75%	0.745	S	S	*	*			cis	-131.1	160.8	7	-95.5	126.1	0	0	0	111.3
295	K	35.4	Very low	33.9	Very low	174 Å²	174	147.6 Å²	147.6	76%	0.757	77%	0.766	S	S	*	*			trans	-76.4	153.9	-174.6	-54.7	170.2	-179.4	175.2	0	114.5
296	P	31.5	Very low	33.7	Very low	129 Å²	129	150.6 Å²	150.6	84%	0.838	77%	0.773	S	S	*	*			trans	-75.3	147.7	150.3	34.1	-32.7	0	0	0	110.9
297	I	35.1	Very low	33.9	Very low	158 Å²	158	149.4 Å²	149.4	81%	0.81	77%	0.772	S	S	*	*			trans	-131.5	144.8	173.1	-77.5	-179.1	0	0	0	109.9
298	S	34.8	Very low	33.8	Very low	106 Å²	106	147.8 Å²	147.8	74%	0.741	76%	0.764	S	S	*	*			trans	-90	159.8	-173.8	53.1	0	0	0	0	114.5
299	K	30.4	Very low	34	Very low	200 Å²	200	153.5 Å²	153.5	87%	0.87	78%	0.781	S	S	*	*			trans	-35.2	139.7	170.6	-53.7	170.5	178.8	179.9	0	115.8
300	T	35.5	Very low	33.7	Very low	139 Å²	139	152.9 Å²	152.9	85%	0.853	78%	0.777	S	S	*	*			trans	-153.9	155.2	134.5	30.8	0	0	0	0	108.7
301	D	29.8	Very low	33.6	Very low	137 Å²	137	154.6 Å²	154.6	73%	0.733	78%	0.782	S	S	*	*			trans	-90.2	149.3	-161.9	-44.9	-92.2	0	0	0	114.7
302	Y	34.2	Very low	33.2	Very low	236 Å²	236	158.1 Å²	158.1	93%	0.925	79%	0.787	S	S	*	*			trans	-143.6	95.3	147.9	-87.8	-65.8	0	0	0	111.4
303	T	33.9	Very low	33.2	Very low	108 Å²	108	157.5 Å²	157.5	66%	0.663	80%	0.796	S	S	*	*			trans	-9.1	160.4	150.1	-13.8	0	0	0	0	120.9
304	E	31.9	Very low	32.8	Very low	159 Å²	159	158.2 Å²	158.2	74%	0.743	80%	0.801	S	S	*	*			trans	74.7	90.4	148.4	-89.4	162.3	-118.3	0	0	119.9
305	W	33.6	Very low	32.8	Very low	246 Å²	246	156.1 Å²	156.1	93%	0.932	80%	0.8	S	S	*	*				-164.9	133.5	101.2	-98.6	18.3	0	0	0	112.7
306	L	29.4	Very low	32.4	Very low	167 Å²	167	155.2 Å²	155.2	87%	0.874	80%	0.803	S	S	*	*			trans	-149.8	168.6	174.9	-77.3	175.3	0	0	0	107.4
307	P	37.2	Very low	32.5	Very low	101 Å²	101	154.3 Å²	154.3	66%	0.656	80%	0.8	S	S	*	*				-125.6	-168.6	-50.1	38.8	-24.8	0	0	0	109.5
308	N	34.1	Very low	32.2	Very low	140 Å²	140	156.3 Å²	156.3	75%	0.749	80%	0.803	S	S	*	*				179.7	143.7	129.1	-102.3	-62.2	0	0	0	115.3
309	K	36.2	Very low	32.1	Very low	183 Å²	183	159.3 Å²	159.3	80%	0.796	81%	0.809	S	S	*	*			trans	55.2	121	154.6	-68.2	-174.3	173.1	-174.2	0	121.7
310	L	29	Very low	32	Very low	141 Å²	141	155.1 Å²	155.1	74%	0.738	81%	0.805	S	S	*	*				15.9	134.9	123.7	-87.3	64.5	0	0	0	117.1
311	D	33.8	Very low	31.8	Very low	149 Å²	149	154.1 Å²	154.1	80%	0.797	80%	0.803	S	S	*	*				-151.7	170.8	64.3	-99.6	-42	0	0	0	115.8
312	Y	27.2	Very low	31.7	Very low	219 Å²	219	156.7 Å²	156.7	86%	0.859	81%	0.811	S	S	*	*			trans	-81.5	133.1	178.2	-74.6	-104.2	0	0	0	113.2
313	S	33.9	Very low	31.5	Very low	127 Å²	127	153.1 Å²	153.1	89%	0.888	81%	0.807	S	S	*	*			trans	-157.8	157.5	143.6	50.1	0	0	0	0	110.8
314	N	26.9	Very low	31.2	Very low	146 Å²	146	157.8 Å²	157.8	78%	0.781	82%	0.818	S	S	*	*			trans	-121	127.2	-166.2	-177.2	8.6	0	0	0	110.8
315	S	36.2	Very low	31	Very low	113 Å²	113	157.2 Å²	157.2	79%	0.79	82%	0.819	S	S	*	*			trans	-152.8	95.1	176.2	61.4	0	0	0	0	112.6
316	N	26.4	Very low	30.8	Very low	155 Å²	155	153.9 Å²	153.9	83%	0.829	81%	0.814	S	S	*	*			trans	-71.6	124.3	170.4	-83	-26.5	0	0	0	111.9
317	S	32.4	Very low	30.7	Very low	111 Å²	111	156.9 Å²	156.9	78%	0.776	82%	0.815	S	S	*	*			trans	-162.6	119.8	145.7	46.2	0	0	0	0	114.4
318	K	29.9	Very low	30.3	Very low	200 Å²	200	156.4 Å²	156.4	87%	0.87	81%	0.814	S	S	*	*			trans	2.3	121.8	153.9	-62	169.3	176	174.6	0	118.4
319	I	32.4	Very low	30.1	Very low	169 Å²	169	158.9 Å²	158.9	87%	0.867	82%	0.821	S	S	*	*				-128.1	130.3	120.4	-79.7	99.7	0	0	0	108.4
320	S	27.2	Very low	29.7	Very low	112 Å²	112	160 Å²	160	78%	0.783	82%	0.821	S	S	*	*			trans	-92.1	140.8	171.4	50.4	0	0	0	0	110.8
321	S	33.2	Very low	29.7	Very low	118 Å²	118	158 Å²	158	83%	0.825	82%	0.82	S	S	*	*			trans	-134.3	149.8	158.2	55.2	0	0	0	0	109.4
322	E	27.6	Very low	29.7	Very low	191 Å²	191	156.8 Å²	156.8	89%	0.893	82%	0.82	S	S	*	*			trans	-89.8	130.7	-159.8	-59.3	169.2	112.7	0	0	112.5
323	L	28.3	Very low	29.8	Very low	160 Å²	160	155 Å²	155	84%	0.838	82%	0.819	S	S	*	*			trans	-121.8	102.6	163.1	-78	174.2	0	0	0	109.8	I325	L323-I325 PolarHBondContact O-N 2.77Å
324	K	27.8	Very low	29.7	Very low	206 Å²	206	158 Å²	158	90%	0.896	82%	0.816	S	S	*	*			trans	-67	110.4	162.7	-79	177.1	173.5	174.8	0	108.4
325	I	29.3	Very low	29.8	Very low	148 Å²	148	161.1 Å²	161.1	76%	0.759	82%	0.823	S	S	*	*			trans	-96.5	110.4	167.7	-60	178.2	0	0	0	107.3	L323	L323-I325 PolarHBondContact O-N 2.77Å
326	E	28.9	Very low	29.6	Very low	176 Å²	176	166.6 Å²	166.6	82%	0.822	83%	0.827	S	S	*	*			trans	-75.2	136.3	172.2	-63.9	-172.5	143.1	0	0	110.1	S328	E326-S328 PolarHBondContact O-N 3.45Å
327	Y	27.9	Very low	29.7	Very low	230 Å²	230	165 Å²	165	90%	0.902	83%	0.828	S	S	*	*			trans	-72.4	96.2	174.6	-79.1	-87.1	0	0	0	110.3	Q329	Y327-Q329 PolarHBondContact O-N 3.47Å
328	S	28.1	Very low	29.7	Very low	91 Å²	91	166.9 Å²	166.9	64%	0.636	83%	0.829	S	S	*	*			trans	-61.6	116.4	176.6	-166.5	0	0	0	0	111.2	E326 Y330	E326-S328 PolarHBondContact O-N 3.45Å; S328-Y330 PolarHBondContact O-N 2.9Å; S328-Y330 VanDerWaalsContact O-N 3.13Å; S328-Y330 WeakPolarHBondContact OG-CD2 3.29Å; S328-Y330 WeakPolarHBondContact OG-CE2 3.34Å
329	Q	28.6	Very low	29.8	Very low	191 Å²	191	161.3 Å²	161.3	89%	0.893	83%	0.829	S	S	*	*			trans	-79.7	91.2	179.5	-66.1	-173.9	6.3	0	0	111.2	Y327	Y327-Q329 PolarHBondContact O-N 3.47Å
330	Y	29.6	Very low	29.8	Very low	206 Å²	206	161.3 Å²	161.3	81%	0.808	83%	0.829	S	S	*	*			trans	-102.6	82.9	170.5	-91.2	-79.7	0	0	0	112.4	S328	S328-Y330 PolarHBondContact O-N 2.9Å; S328-Y330 VanDerWaalsContact O-N 3.13Å; S328-Y330 WeakPolarHBondContact OG-CD2 3.29Å; S328-Y330 WeakPolarHBondContact OG-CE2 3.34Å
331	S	28.9	Very low	30	Very low	100 Å²	100	162.6 Å²	162.6	70%	0.699	83%	0.827	S	S	*	*			trans	-89.9	128.7	153.7	-77	0	0	0	0	108.9	E333	S331-E333 PolarHBondContact O-N 3.37Å
332	P	32	Very low	30	Very low	124 Å²	124	165 Å²	165	81%	0.805	82%	0.823	S	S	*	*			trans	-76.7	90.8	179	30.2	-33.8	0	0	0	111.1	F334	P332-F334 PolarHBondContact O-N 2.67Å
333	E	29.9	Very low	30.3	Very low	180 Å²	180	162.8 Å²	162.8	84%	0.841	82%	0.818	S	S	*	*			trans	-69.2	118.4	172.2	-69	-159.7	149.7	0	0	111.3	S331 K335	S331-E333 PolarHBondContact O-N 3.37Å; E333-K335 PolarHBondContact O-N 2.83Å; E333-K335 VanDerWaalsContact O-N 3.11Å
334	F	32.6	Very low	30.4	Very low	190 Å²	190	166.6 Å²	166.6	83%	0.833	82%	0.823	S	S	*	*			trans	-66.6	108.5	173.7	-103.3	-91.4	0	0	0	110.6	P332 R336	P332-F334 PolarHBondContact O-N 2.67Å; F334-R336 PolarHBondContact O-N 2.72Å; F334-R336 VanDerWaalsContact O-N 3.08Å
335	K	29.4	Very low	30.6	Very low	212 Å²	212	164.5 Å²	164.5	92%	0.922	82%	0.82	S	S	*	*			trans	-57.4	113.1	172	-67.2	179.7	179.9	177	0	110.4	E333	E333-K335 PolarHBondContact O-N 2.83Å; E333-K335 VanDerWaalsContact O-N 3.11Å
336	R	32.1	Very low	30.7	Very low	228 Å²	228	163.6 Å²	163.6	86%	0.86	82%	0.817	S	S	*	*			trans	-118.7	121.2	157.8	-72.8	-166	178.3	-150.4	-0.8	109.2	F334 N338	F334-R336 PolarHBondContact O-N 2.72Å; F334-R336 VanDerWaalsContact O-N 3.08Å; R336-N338 PolarHBondContact O-N 2.9Å
337	S	27.6	Very low	30.8	Very low	122 Å²	122	165 Å²	165	85%	0.853	82%	0.816	S	S	*	*			trans	-71	109.8	176.9	35.2	0	0	0	0	110.9
338	N	33.1	Very low	30.9	Very low	150 Å²	150	158.7 Å²	158.7	80%	0.802	81%	0.806	S	S	*	*			trans	-109.3	112.4	158	-86.8	-9.8	0	0	0	108.1	R336 L340	R336-N338 PolarHBondContact O-N 2.9Å; N338-L340 PolarHBondContact O-N 3.1Å; N338-L340 VanDerWaalsContact O-N 3.1Å
339	G	30.4	Very low	31.1	Very low	84 Å²	84	160.9 Å²	160.9	87%	0.866	81%	0.809	S	S	*	*			trans	-71.5	100.3	176.8	0	0	0	0	0	111.2	N341	G339-N341 PolarHBondContact O-N 3.28Å
340	L	33.2	Very low	31.4	Very low	168 Å²	168	160.4 Å²	160.4	88%	0.88	80%	0.804	S	S	*	*			trans	-79.9	100.8	172.6	-75.5	171.9	0	0	0	110.1	N338 K342	N338-L340 PolarHBondContact O-N 3.1Å; N338-L340 VanDerWaalsContact O-N 3.1Å; L340-K342 PolarHBondContact O-N 3.05Å
341	N	31.8	Very low	31.6	Very low	139 Å²	139	158.9 Å²	158.9	74%	0.743	80%	0.804	S	S	*	*			trans	-76.1	103.8	172.9	-167.7	17.5	0	0	0	110.4	G339	G339-N341 PolarHBondContact O-N 3.28Å
342	K	32.5	Very low	31.9	Very low	168 Å²	168	163.7 Å²	163.7	73%	0.73	81%	0.812	S	S	*	*			trans	36.6	111.8	147.3	-59	177.1	-175.9	179.3	0	118.1	L340	L340-K342 PolarHBondContact O-N 3.05Å
343	N	33.9	Very low	32	Very low	146 Å²	146	165.1 Å²	165.1	78%	0.781	81%	0.813	S	S	*	*				161.7	99.5	111	-81.8	-26.1	0	0	0	111.8
344	Y	31.2	Very low	32.3	Very low	240 Å²	240	163.6 Å²	163.6	94%	0.941	81%	0.811	S	S	*	*				-178.9	126.8	119.3	-113.9	-86.3	0	0	0	108.2
345	L	31.3	Very low	32.5	Very low	162 Å²	162	162.1 Å²	162.1	85%	0.848	81%	0.806	S	S	*	*			trans	-133.9	108.2	179.8	176.1	75.4	0	0	0	108.1
346	D	31.6	Very low	32.9	Very low	129 Å²	129	159.2 Å²	159.2	69%	0.69	80%	0.796	S	S	*	*			trans	175.8	146.9	157.2	-103	-14.3	0	0	0	108
347	Y	30.9	Very low	33.3	Very low	204 Å²	204	154.7 Å²	154.7	80%	0.8	79%	0.789	S	S	*	*			cis	-121.7	158	-9.2	-113.8	-89.6	0	0	0	108.4
348	S	29.9	Very low	34	Very low	99 Å²	99	155.4 Å²	155.4	69%	0.692	78%	0.782	S	S	*	*			trans	-152.2	141.5	169.9	-138.4	0	0	0	0	111.7
349	I	32	Very low	34.4	Very low	136 Å²	136	155.7 Å²	155.7	70%	0.697	78%	0.779	S	S	*	*			trans	72.1	140	163	-58.3	162.8	0	0	0	112.1
350	K	35.6	Very low	34.8	Very low	182 Å²	182	158.2 Å²	158.2	79%	0.791	77%	0.773	S	S	*	*			cis	-145.6	165.7	23.9	-140.3	141.1	-147.7	167.1	0	113
351	H	34.4	Very low	35.2	Very low	173 Å²	173	158.8 Å²	158.8	80%	0.801	77%	0.77	S	S	*	*			trans	-47.2	152.3	173.2	-49.5	-103	0	0	0	116.3
352	K	33.4	Very low	35.5	Very low	201 Å²	201	160.4 Å²	160.4	87%	0.874	77%	0.774	S	S	*	*				-168	129.4	113.8	-107.4	-176.4	178.2	-168.2	0	112.1
353	D	35.5	Very low	35.8	Very low	155 Å²	155	155.3 Å²	155.3	83%	0.829	77%	0.768	S	S	*	*			trans	-120.6	168.1	150.8	-83.4	-51.9	0	0	0	107
354	N	35.8	Very low	35.8	Very low	148 Å²	148	156.8 Å²	156.8	79%	0.791	77%	0.768	S	S	*	*			trans	72.2	74.9	-176.8	-54	-14.4	0	0	0	115.5
355	Q	36.9	Very low	36.2	Very low	158 Å²	158	152.2 Å²	152.2	74%	0.738	76%	0.757	S	S	*	*				66.2	133.8	105.5	-167.7	164.1	-4.7	0	0	120.8
356	E	37.9	Very low	36.5	Very low	151 Å²	151	149.8 Å²	149.8	71%	0.706	75%	0.749	S	S	*	*			trans	78.6	121.5	160.8	-80	150.3	-152.5	0	0	121.5
357	D	40.5	Very low	36.7	Very low	134 Å²	134	149.8 Å²	149.8	72%	0.717	75%	0.754	S	S	*	*			trans	83.7	101.4	141.4	-59.8	-1.7	0	0	0	125
358	L	42.2	Very low	36.6	Very low	136 Å²	136	145.2 Å²	145.2	71%	0.712	75%	0.751	S	S	*	*				80.5	118.6	126.1	-60.5	170.8	0	0	0	123.3
359	E	42.1	Very low	36.8	Very low	157 Å²	157	148.9 Å²	148.9	73%	0.734	76%	0.763	S	S	*	*			trans	72.4	95.1	131.1	-64.9	176.4	178.6	0	0	122.4
360	D	38.1	Very low	36.8	Very low	137 Å²	137	150.3 Å²	150.3	73%	0.733	77%	0.767	S	S	*	*				80	152.3	116.5	-68.2	12.1	0	0	0	124.9
361	H	41.2	Very low	36.8	Very low	179 Å²	179	148.6 Å²	148.6	83%	0.829	77%	0.771	S	S	*	*			trans	76.7	150.1	172.5	-56.4	-54.3	0	0	0	119.7
362	E	39.1	Very low	36.6	Very low	174 Å²	174	146 Å²	146	81%	0.813	76%	0.763	S	S	*	*			cis	179.8	145.8	-45	-109.1	-73.8	-168.8	0	0	108.6
363	G	38.6	Very low	36.4	Very low	60 Å²	60	143.6 Å²	143.6	62%	0.619	76%	0.76	S	S	*	*			trans	77	161.9	174.4	0	0	0	0	0	118.5
364	F	34.5	Very low	36.2	Very low	177 Å²	177	142 Å²	142	78%	0.776	76%	0.76	S	S	*	*			cis	-164.7	127.9	-3.7	-166.2	-114.2	0	0	0	114
365	M	37.9	Very low	36.4	Very low	145 Å²	145	140.1 Å²	140.1	71%	0.714	76%	0.756	S	S	*	*			trans	62.8	177.8	151.6	-80.7	-149.6	175.3	0	0	120.8
366	V	38.4	Very low	36.1	Very low	111 Å²	111	139.4 Å²	139.4	67%	0.673	76%	0.757	S	S	*	*			cis	168.6	140	-43.6	136.9	0	0	0	0	106.6
367	T	34.7	Very low	36	Very low	128 Å²	128	141.8 Å²	141.8	79%	0.785	77%	0.768	S	S	*	*			cis	-152.5	172.7	5.2	9.5	0	0	0	0	111.4
368	S	30.3	Very low	35.7	Very low	108 Å²	108	143.6 Å²	143.6	76%	0.755	77%	0.772	S	S	*	*			trans	-64.8	168.2	169	-38	0	0	0	0	115.4
369	N	34.2	Very low	35.4	Very low	176 Å²	176	143 Å²	143	94%	0.941	77%	0.768	S	S	*	*			trans	-159.3	154.8	143.3	-103.9	-25.9	0	0	0	112.5
370	E	30.9	Very low	35.1	Very low	166 Å²	166	142.9 Å²	142.9	78%	0.776	77%	0.772	S	S	*	*			trans	-137	148.3	-172.4	173.4	-175.7	-156.5	0	0	109.2
371	V	35.9	Very low	34.9	Very low	146 Å²	146	142.7 Å²	142.7	89%	0.885	77%	0.771	S	S	*	*			trans	-169.6	165.4	158.1	128	0	0	0	0	111.5
372	N	29.6	Very low	34.8	Very low	118 Å²	118	141.2 Å²	141.2	63%	0.631	77%	0.769	S	S	*	*			trans	-127.2	161	-154.9	-90.3	-73.1	0	0	0	116.1
373	L	30.8	Very low	34.6	Very low	152 Å²	152	139.2 Å²	139.2	80%	0.796	76%	0.763	S	S	*	*			trans	62.1	126.2	147.1	-70	162.1	0	0	0	122.6
374	S	31.1	Very low	34.6	Very low	120 Å²	120	143.9 Å²	143.9	84%	0.839	77%	0.772	S	S	*	*				-172.9	144.1	121.8	-82.2	0	0	0	0	112.8
375	P	38.9	Very low	34.9	Very low	109 Å²	109	141.4 Å²	141.4	71%	0.708	77%	0.765	S	S	*	*			trans	-115.2	-162.5	178.9	42.6	-32.9	0	0	0	114.8
376	D	31.3	Very low	34.9	Very low	143 Å²	143	140.6 Å²	140.6	77%	0.765	76%	0.764	S	S	*	*			trans	92.4	119.1	161.9	-57.2	-19.7	0	0	0	120.1
377	H	35.4	Very low	34.9	Very low	202 Å²	202	141.2 Å²	141.2	94%	0.935	76%	0.763	S	S	*	*				-161.9	167.9	129.6	-107.3	63.6	0	0	0	110.9
378	Q	35.6	Very low	35.1	Very low	171 Å²	171	140.7 Å²	140.7	80%	0.799	76%	0.756	S	S	*	*			trans	-143.2	-177.4	-149.3	-158.6	178.1	-2.4	0	0	113.4
379	M	34.3	Very low	35.6	Very low	125 Å²	125	143.6 Å²	143.6	62%	0.616	76%	0.761	S	S	*	*			trans	88.7	116.9	161.4	-44.3	-53.6	-67.7	0	0	118.6
380	N	35.8	Very low	36	Very low	154 Å²	154	143.4 Å²	143.4	82%	0.824	75%	0.752	S	S	*	*				175.8	158.9	107.7	-81.8	-29.4	0	0	0	111.2
381	D	34.3	Very low	36.5	Very low	133 Å²	133	144.5 Å²	144.5	71%	0.711	76%	0.757	S	S	*	*			trans	-116.6	-151	-158.5	-58.5	-80.6	0	0	0	114.6
382	D	38.5	Very low	36.7	Very low	147 Å²	147	143.7 Å²	143.7	79%	0.786	75%	0.748	S	S	*	*			trans	79.6	111.4	-179.8	-57.5	-28.9	0	0	0	116.5
383	I	35.6	Very low	37.6	Very low	133 Å²	133	146 Å²	146	68%	0.682	76%	0.76	S	S	*	*			cis	99.6	150.4	31.3	-60.9	167.4	0	0	0	112.7	I385	I383-I385 HydrophobicContact CG2-CD1 4.26Å
384	I	38.9	Very low	38	Very low	158 Å²	158	145.1 Å²	145.1	81%	0.81	76%	0.756	S	S	*	*			trans	93.8	134.1	-179.9	-51.7	175.2	0	0	0	115.1
385	I	39.6	Very low	38.8	Very low	125 Å²	125	147.6 Å²	147.6	64%	0.641	76%	0.76	S	S	*	*				179.2	148.8	-50.1	-95.7	164.3	0	0	0	109.9	I383	I383-I385 HydrophobicContact CG2-CD1 4.26Å
386	N	38.1	Very low	38.9	Very low	128 Å²	128	149.5 Å²	149.5	68%	0.684	76%	0.764	S	S	*	*			trans	87.3	118.9	160.7	-76	-9.7	0	0	0	123.7
387	N	39.5	Very low	39.3	Very low	124 Å²	124	150.9 Å²	150.9	66%	0.663	77%	0.766	S	S	*	*				67.6	121.1	126.3	-52	-1.5	0	0	0	119.9
388	D	38.7	Very low	39.6	Very low	116 Å²	116	150.9 Å²	150.9	62%	0.62	77%	0.766	S	S	*	*			cis	87.8	120.2	47	-79.3	-31.8	0	0	0	114.7
389	I	40.8	Very low	39.6	Very low	170 Å²	170	149.9 Å²	149.9	87%	0.872	77%	0.767	S	S	*	*			trans	-160.6	147.1	146.5	-98.8	151.8	0	0	0	106.9
390	K	41.9	Very low	39.8	Very low	172 Å²	172	152.3 Å²	152.3	75%	0.748	78%	0.777	S	S	*	*			trans	-132.5	144	-178.8	-52.3	175.3	-174.5	175.3	0	111.1
391	E	42.2	Very low	39.7	Very low	188 Å²	188	153 Å²	153	88%	0.879	77%	0.774	S	S	*	*			trans	-143.5	106.4	151.1	-60.7	-177.4	163.3	0	0	102.9
392	D	40.1	Very low	39.8	Very low	129 Å²	129	154 Å²	154	69%	0.69	78%	0.778	S	S	*	*				56.5	110.7	65.1	-79.6	-18.1	0	0	0	114.1
393	D	47.4	Very low	39.7	Very low	168 Å²	168	152 Å²	152	90%	0.898	77%	0.771	S	S	*	*			trans	-168	117.2	147.9	-98.8	-22.8	0	0	0	107.1
394	N	39.4	Very low	39.5	Very low	132 Å²	132	154.3 Å²	154.3	71%	0.706	78%	0.779	S	S	*	*			trans	-126.9	130.6	172	-58.9	-88.4	0	0	0	108
395	D	48.9	Very low	39.3	Very low	172 Å²	172	153.8 Å²	153.8	92%	0.92	78%	0.778	S	S	*	*			trans	-118.2	117.6	165.6	-81.2	-47.2	0	0	0	108.1
396	D	40.1	Very low	39.2	Very low	149 Å²	149	150.9 Å²	150.9	80%	0.797	77%	0.769	S	S	*	*			trans	-96.1	163.6	-176.1	-86.7	-49.9	0	0	0	113.3
397	E	39.7	Very low	39	Very low	173 Å²	173	153.7 Å²	153.7	81%	0.808	78%	0.775	S	S	*	*			trans	11.1	125.1	161.8	-56.3	-168.4	153	0	0	120.7
398	E	42.8	Very low	38.7	Very low	201 Å²	201	153.3 Å²	153.3	94%	0.939	78%	0.782	S	S	*	*				-143.6	139.6	126.5	-128.3	173.9	-143.8	0	0	110.4
399	N	33.9	Very low	38.2	Very low	151 Å²	151	153.5 Å²	153.5	81%	0.807	79%	0.792	S	S	*	*			trans	-137.3	86.1	-157.7	-161.9	0.2	0	0	0	111.2
400	E	38.9	Very low	37.9	Very low	176 Å²	176	151 Å²	151	82%	0.822	79%	0.785	S	S	*	*			trans	-98.4	133.9	177.3	-76.1	-137.5	130.2	0	0	113.5
401	H	33.4	Very low	37.3	Very low	167 Å²	167	147.6 Å²	147.6	77%	0.773	78%	0.78	S	S	*	*			trans	-107.4	96.1	-170.1	174.7	-60.4	0	0	0	110.7
402	I	36.6	Very low	36.8	Very low	156 Å²	156	148.2 Å²	148.2	80%	0.8	78%	0.775	S	S	*	*			trans	-109.4	139.2	174.9	-60.1	-176	0	0	0	110.7
403	V	38	Very low	36.3	Very low	103 Å²	103	151.4 Å²	151.4	62%	0.624	78%	0.783	S	S	*	*			trans	-89.9	150.4	-162.1	172.5	0	0	0	0	112.8
404	E	31.4	Very low	35.5	Very low	183 Å²	183	149.8 Å²	149.8	86%	0.855	77%	0.769	S	S	*	*			trans	-7.7	129.5	165.1	-54.3	177.6	141	0	0	118.3
405	D	34.8	Very low	35.3	Very low	147 Å²	147	147.3 Å²	147.3	79%	0.786	76%	0.762	S	S	*	*				-152.1	144.3	118.7	-144.5	-17.8	0	0	0	114.9
406	S	35.7	Very low	34.7	Very low	64 Å²	64	148.5 Å²	148.5	45%	0.448	76%	0.759	S	S	.	*			trans	28	113.8	149	-70.3	0	0	0	0	123.1
407	K	33.7	Very low	34.5	Very low	187 Å²	187	149 Å²	149	81%	0.813	76%	0.761	S	S	*	*				68.5	98.9	127	-53.6	163.7	-165.2	118	0	119
408	S	33.4	Very low	34.3	Very low	116 Å²	116	148 Å²	148	81%	0.811	76%	0.761	S	S	*	*				-168	129.4	109.2	46.5	0	0	0	0	111.9
409	S	30	Very low	33.9	Very low	120 Å²	120	147.5 Å²	147.5	84%	0.839	75%	0.75	S	S	*	*			trans	-96.4	104.2	174.9	-177.6	0	0	0	0	109.1
410	T	33.7	Very low	34.2	Very low	117 Å²	117	150.6 Å²	150.6	72%	0.718	75%	0.751	S	S	*	*			trans	-65.1	133.8	176.6	47.5	0	0	0	0	110.3	R412	T410-R412 PolarHBondContact O-N 2.96Å
411	P	29.1	Very low	34	Very low	100 Å²	100	146.7 Å²	146.7	65%	0.649	74%	0.735	S	S	*	*			trans	-74.3	91.5	-175.7	29.7	-34.5	0	0	0	110.3	F413	P411-F413 HydrophobicContact CG-CE2 4.28Å; P411-F413 WeakPolarHBondContact O-CD2 3.44Å; P411-F413 PolarHBondContact O-N 3.1Å
412	R	30.8	Very low	34.4	Very low	202 Å²	202	141.5 Å²	141.5	76%	0.762	72%	0.718	S	S	*	*			trans	-56.3	100.4	171.9	178.1	173.6	155.9	145.8	-0.8	109.8	T410 H414	T410-R412 PolarHBondContact O-N 2.96Å; R412-H414 VanDerWaalsContact C-N 3.27Å; R412-H414 PolarHBondContact NE-NE2 3.3Å; R412-H414 PolarHBondContact O-CD2 2.89Å; R412-H414 PolarHBondContact O-N 2.96Å
413	F	30.2	Very low	34.4	Very low	196 Å²	196	140.4 Å²	140.4	86%	0.86	71%	0.711	S	S	*	*			trans	-67.6	80.2	-179.1	-85.9	-91.4	0	0	0	111.6	P411 S415	P411-F413 HydrophobicContact CG-CE2 4.28Å; P411-F413 WeakPolarHBondContact O-CD2 3.44Å; P411-F413 PolarHBondContact O-N 3.1Å; F413-S415 PolarHBondContact O-N 3.08Å
414	H	31.1	Very low	34.5	Very low	133 Å²	133	141 Å²	141	62%	0.616	71%	0.707	S	S	*	*			trans	-60.9	104.6	163.5	-80.5	-99.8	0	0	0	108.6	R412 K416	R412-H414 VanDerWaalsContact C-N 3.27Å; R412-H414 PolarHBondContact NE-NE2 3.3Å; R412-H414 PolarHBondContact O-CD2 2.89Å; R412-H414 PolarHBondContact O-N 2.96Å; H414-K416 PolarHBondContact O-N 3.27Å
415	S	35.1	Very low	34.6	Very low	80 Å²	80	136.5 Å²	136.5	56%	0.559	69%	0.694	S	S	*	*			trans	-56.1	112.3	173.7	58.2	0	0	0	0	108.6	F413 L417 K507	F413-S415 PolarHBondContact O-N 3.08Å; S415-L417 PolarHBondContact O-N 3.13Å; S415-K507 PolarHBondContact OG-NZ 3.31Å; S415-K507 VanDerWaalsContact OG-NZ 3.15Å
416	K	36.7	Very low	34.6	Very low	198 Å²	198	135.5 Å²	135.5	86%	0.861	68%	0.681	S	S	*	*			trans	-64.8	105.3	-171.9	-69.4	175.2	-178.5	170.5	0	109.2	H414 L418	H414-K416 PolarHBondContact O-N 3.27Å; K416-L418 PolarHBondContact O-N 3.01Å; K416-L418 VanDerWaalsContact O-N 3.12Å
417	L	35.5	Very low	34.8	Very low	160 Å²	160	137.3 Å²	137.3	84%	0.838	68%	0.684	S	S	*	*			trans	-50.9	119.2	158.4	-73.2	165.6	0	0	0	107.3	S415 R419	S415-L417 PolarHBondContact O-N 3.13Å; L417-R419 PolarHBondContact O-N 3.22Å
418	L	36.6	Very low	35	Very low	152 Å²	152	133.4 Å²	133.4	80%	0.796	67%	0.669	S	S	*	*			trans	-59.8	104.8	167.5	-85.1	159	0	0	0	106.9	K416	K416-L418 PolarHBondContact O-N 3.01Å; K416-L418 VanDerWaalsContact O-N 3.12Å
419	R	34.3	Very low	35.3	Very low	189 Å²	189	131.4 Å²	131.4	71%	0.713	65%	0.652	S	S	*	*			trans	-64.5	151.6	176.1	-64.9	-169.7	175.4	106.1	-1	109.4	L417 D421 S422	L417-R419 PolarHBondContact O-N 3.22Å; R419-D421 VanDerWaalsContact CB-CG 3.49Å; R419-D421 WeakPolarHBondContact CB-OD1 3.31Å; R419-D421 VanDerWaalsContact CB-OD2 3.22Å; R419-D421 WeakPolarHBondContact CB-OD2 3.46Å; R419-D421 WeakPolarHBondContact CD-OD2 3.41Å; R419-D421 PolarHBondContact O-N 2.89Å; R419-S422 WeakPolarHBondContact O-CB 3.32Å; R419-S422 PolarHBondContact O-N 2.99Å
420	R	38.8	Very low	35.5	Very low	217 Å²	217	131.5 Å²	131.5	82%	0.819	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-45.8	-41.1	180	-121.5	176.7	174.7	100.2	-3.6	111.9	S422 M423	R420-S422 PolarHBondContact O-N 3.46Å; R420-M423 VanDerWaalsContact O-CB 3.3Å; R420-M423 WeakPolarHBondContact O-CB 3.48Å; R420-M423 PolarHBondContact O-N 3.24Å
421	D	34.8	Very low	35.9	Very low	94 Å²	94	132.5 Å²	132.5	50%	0.503	64%	0.638	S	S	.	*	H	α-helix	trans	-50.5	-26.2	177	7.7	-44.7	0	0	0	114.3	R419	R419-D421 VanDerWaalsContact CB-CG 3.49Å; R419-D421 WeakPolarHBondContact CB-OD1 3.31Å; R419-D421 VanDerWaalsContact CB-OD2 3.22Å; R419-D421 WeakPolarHBondContact CB-OD2 3.46Å; R419-D421 WeakPolarHBondContact CD-OD2 3.41Å; R419-D421 PolarHBondContact O-N 2.89Å
422	S	41.9	Very low	36.3	Very low	58 Å²	58	131.6 Å²	131.6	41%	0.406	64%	0.638	S	S	.	*	H	α-helix	trans	-77.7	-20.4	175.1	-168.3	0	0	0	0	114	R419 R420	R419-S422 WeakPolarHBondContact O-CB 3.32Å; R419-S422 PolarHBondContact O-N 2.99Å; R420-S422 PolarHBondContact O-N 3.46Å
423	M	36.3	Very low	36.6	Very low	133 Å²	133	128.4 Å²	128.4	66%	0.655	63%	0.632	S	S	*	*	H	α-helix	trans	-81.2	-38.1	176	-163	77.8	79.5	0	0	110.6	R420 C425 Y426 L427	R420-M423 VanDerWaalsContact O-CB 3.3Å; R420-M423 WeakPolarHBondContact O-CB 3.48Å; R420-M423 PolarHBondContact O-N 3.24Å; M423-C425 VanDerWaalsContact C-N 3.3Å; M423-C425 PolarHBondContact O-N 3.39Å; M423-Y426 PolarHBondContact O-N 3.34Å; M423-L427 PolarHBondContact O-N 3.23Å
424	E	40	Very low	36.6	Very low	116 Å²	116	126.5 Å²	126.5	54%	0.542	63%	0.631	S	S	.	*	H	α-helix	trans	-63.4	-35.5	-178.5	-68.2	173.7	139.1	0	0	111.7	Y426 L427 E428	E424-Y426 VanDerWaalsContact C-N 3.26Å; E424-Y426 PolarHBondContact O-N 2.8Å; E424-L427 PolarHBondContact O-N 3.07Å; E424-L427 VanDerWaalsContact O-N 3.17Å; E424-E428 WeakPolarHBondContact O-CB 3.45Å; E424-E428 PolarHBondContact O-N 3.33Å
425	C	34.6	Very low	36.7	Very low	87 Å²	87	124.7 Å²	124.7	59%	0.588	63%	0.625	S	S	*	*	H	α-helix	trans	-58.1	-33.5	172.3	-74.3	0	0	0	0	114.1	M423 T429	M423-C425 VanDerWaalsContact C-N 3.3Å; M423-C425 PolarHBondContact O-N 3.39Å; C425-T429 WeakPolarHBondContact O-CG2 3.34Å; C425-T429 PolarHBondContact O-N 2.95Å; C425-T429 PolarHBondContact O-OG1 2.64Å
426	Y	33.6	Very low	36.4	Very low	127 Å²	127	132.4 Å²	132.4	50%	0.498	64%	0.641	S	S	.	*	H	α-helix	trans	-77.5	-31.8	176.7	-89.7	-86.4	0	0	0	112.7	M423 E424 T429 N430 S517	M423-Y426 PolarHBondContact O-N 3.34Å; E424-Y426 VanDerWaalsContact C-N 3.26Å; E424-Y426 PolarHBondContact O-N 2.8Å; Y426-T429 PolarHBondContact O-OG1 3.47Å; Y426-N430 PolarHBondContact O-ND2 3.48Å; Y426-S517 PolarHBondContact OH-OG 3.14Å
427	L	40.7	Very low	36.4	Very low	101 Å²	101	130.9 Å²	130.9	53%	0.529	64%	0.637	S	S	.	*	H	α-helix	trans	-71.1	-37.7	173.8	-62.4	177.4	0	0	0	111	M423 E424 N430 K431	M423-L427 PolarHBondContact O-N 3.23Å; E424-L427 PolarHBondContact O-N 3.07Å; E424-L427 VanDerWaalsContact O-N 3.17Å; L427-N430 PolarHBondContact O-N 3Å; L427-K431 PolarHBondContact O-N 3.22Å; L427-K431 VanDerWaalsContact O-N 3.14Å
428	E	38.3	Very low	36.2	Very low	105 Å²	105	131.2 Å²	131.2	49%	0.491	63%	0.634	S	S	.	*	H	α-helix	trans	-74.1	-33.5	-178.4	-136	63.5	-169.8	0	0	112.9	E424 N430 K431 A432	E424-E428 WeakPolarHBondContact O-CB 3.45Å; E424-E428 PolarHBondContact O-N 3.33Å; E428-N430 VanDerWaalsContact C-N 3.27Å; E428-N430 PolarHBondContact O-N 3.36Å; E428-K431 PolarHBondContact O-N 3.47Å; E428-K431 IonicContact OE1-NZ 2.75Å; E428-K431 PolarHBondContact OE1-NZ 3.36Å; E428-K431 WeakPolarHBondContact OE2-CE 3.03Å; E428-K431 IonicContact OE2-NZ 3.04Å; E428-K431 PolarHBondContact OE2-NZ 3.31Å; E428-A432 WeakPolarHBondContact O-CB 3.23Å; E428-A432 PolarHBondContact O-N 2.95Å
429	T	39.6	Very low	36.2	Very low	75 Å²	75	135.5 Å²	135.5	46%	0.46	64%	0.64	S	S	.	*	H	α-helix	trans	-62.9	-35	170.7	46.3	0	0	0	0	112.4	C425 Y426 A432 H433	C425-T429 WeakPolarHBondContact O-CG2 3.34Å; C425-T429 PolarHBondContact O-N 2.95Å; C425-T429 PolarHBondContact O-OG1 2.64Å; Y426-T429 PolarHBondContact O-OG1 3.47Å; T429-A432 PolarHBondContact O-N 2.96Å; T429-H433 PolarHBondContact O-N 3.49Å
430	N	34.6	Very low	36.3	Very low	121 Å²	121	132.7 Å²	132.7	65%	0.647	64%	0.639	S	S	*	*	H	α-helix	trans	-78.3	-22.1	179.9	-66.6	-7.2	0	0	0	112.8	Y426 L427 E428	Y426-N430 PolarHBondContact O-ND2 3.48Å; L427-N430 PolarHBondContact O-N 3Å; E428-N430 VanDerWaalsContact C-N 3.27Å; E428-N430 PolarHBondContact O-N 3.36Å
431	K	41	Very low	36.5	Very low	139 Å²	139	129.2 Å²	129.2	60%	0.604	63%	0.632	S	S	*	*	H	α-helix	trans	-78.9	-32.8	166.4	-66.2	173.8	-167.1	160	0	112.8	L427 E428 H433	L427-K431 PolarHBondContact O-N 3.22Å; L427-K431 VanDerWaalsContact O-N 3.14Å; E428-K431 PolarHBondContact O-N 3.47Å; E428-K431 IonicContact OE1-NZ 2.75Å; E428-K431 PolarHBondContact OE1-NZ 3.36Å; E428-K431 WeakPolarHBondContact OE2-CE 3.03Å; E428-K431 IonicContact OE2-NZ 3.04Å; E428-K431 PolarHBondContact OE2-NZ 3.31Å; K431-H433 VanDerWaalsContact C-N 3.29Å; K431-H433 PolarHBondContact O-N 3.26Å
432	A	37.9	Very low	37	Very low	80 Å²	80	127 Å²	127	66%	0.661	62%	0.623	S	S	*	*	H	α-helix	trans	-74.8	-17.5	-177.8	0	0	0	0	0	113.5	E428 T429 D434	E428-A432 WeakPolarHBondContact O-CB 3.23Å; E428-A432 PolarHBondContact O-N 2.95Å; T429-A432 PolarHBondContact O-N 2.96Å; A432-D434 PolarHBondContact O-N 2.85Å
433	H	36.3	Very low	37.1	Very low	136 Å²	136	127.3 Å²	127.3	63%	0.63	62%	0.62	S	S	*	*			trans	-86.4	51.3	169.5	-86.8	-34.5	0	0	0	113	T429 K431 I435	T429-H433 PolarHBondContact O-N 3.49Å; K431-H433 VanDerWaalsContact C-N 3.29Å; K431-H433 PolarHBondContact O-N 3.26Å; H433-I435 VanDerWaalsContact ND1-CD1 3.28Å; H433-I435 WeakPolarHBondContact ND1-CD1 3.48Å; H433-I435 PolarHBondContact O-N 2.83Å
434	D	30.2	Very low	37.7	Very low	155 Å²	155	124.2 Å²	124.2	83%	0.829	61%	0.611	S	S	*	*			trans	-73.7	52	157.9	-165.8	18.5	0	0	0	110.1	A432	A432-D434 PolarHBondContact O-N 2.85Å
435	I	33.9	Very low	38	Very low	96 Å²	96	124.3 Å²	124.3	49%	0.492	62%	0.615	S	S	.	*			trans	-89.4	123.2	173.6	-61.3	-175.8	0	0	0	107.2	H433 H437	H433-I435 VanDerWaalsContact ND1-CD1 3.28Å; H433-I435 WeakPolarHBondContact ND1-CD1 3.48Å; H433-I435 PolarHBondContact O-N 2.83Å; I435-H437 VanDerWaalsContact C-N 3.35Å; I435-H437 PolarHBondContact O-N 2.89Å
436	R	29.1	Very low	38.7	Very low	241 Å²	241	121.6 Å²	121.6	91%	0.909	60%	0.595	S	S	*	*			trans	-58.8	91.1	174.8	-57.7	171.6	-174	170.2	-0.1	110.7
437	H	36	Very low	39.4	Very low	167 Å²	167	118.9 Å²	118.9	77%	0.773	59%	0.588	S	S	*	*			trans	-110.2	145.7	161.1	-78.4	-69.8	0	0	0	109.3	I435	I435-H437 VanDerWaalsContact C-N 3.35Å; I435-H437 PolarHBondContact O-N 2.89Å
438	E	32.7	Very low	40	Very low	166 Å²	166	119 Å²	119	78%	0.776	59%	0.586	S	S	*	*			trans	-79.1	177.4	-159.6	-56.1	-158.2	94.8	0	0	112.8	D440	E438-D440 PolarHBondContact O-N 2.86Å
439	R	35.4	Very low	40.5	Very low	242 Å²	242	117.3 Å²	117.3	91%	0.913	59%	0.586	S	S	*	*	S	Bend	trans	-77	20.1	-168.3	-57.6	-173.8	-176.4	104.2	1	113.4	H441	R439-H441 VanDerWaalsContact C-N 3.27Å; R439-H441 PolarHBondContact O-N 2.9Å
440	D	36.3	Very low	41	Very low	131 Å²	131	117.9 Å²	117.9	70%	0.701	58%	0.584	S	S	*	*			trans	-95	54.5	-162.3	-62.1	8.8	0	0	0	109.9	E438 P442	E438-D440 PolarHBondContact O-N 2.86Å; D440-P442 WeakPolarHBondContact O-CD 3.42Å
441	H	43.6	Very low	41.9	Very low	143 Å²	143	118.7 Å²	118.7	66%	0.662	58%	0.582	S	S	*	*			trans	-90.8	102.8	171.6	-101.8	-56.1	0	0	0	109.3	R439 L443 S444	R439-H441 VanDerWaalsContact C-N 3.27Å; R439-H441 PolarHBondContact O-N 2.9Å; H441-L443 PolarHBondContact O-N 3.27Å; H441-S444 WeakPolarHBondContact O-CB 3.35Å; H441-S444 PolarHBondContact O-N 2.71Å; H441-S444 PolarHBondContact O-OG 3.29Å
442	P	45.7	Very low	42.2	Very low	49 Å²	49	117.6 Å²	117.6	32%	0.318	58%	0.583	S	S	.	*	H	α-helix	trans	-67.1	-3.7	-178.9	28.4	-36.9	0	0	0	113.8	D440 L446	D440-P442 WeakPolarHBondContact O-CD 3.42Å; P442-L446 PolarHBondContact O-N 2.95Å
443	L	43.3	Very low	42.3	Very low	64 Å²	64	117 Å²	117	34%	0.335	58%	0.584	S	S	.	*	H	α-helix	trans	-74.6	-25.5	168.8	-116.9	76.6	0	0	0	112.9	H441 L446 I447	H441-L443 PolarHBondContact O-N 3.27Å; L443-L446 PolarHBondContact O-N 3.31Å; L443-I447 WeakPolarHBondContact O-CB 3.25Å; L443-I447 WeakPolarHBondContact O-CD1 3.4Å; L443-I447 WeakPolarHBondContact O-CG1 3.39Å; L443-I447 PolarHBondContact O-N 3.41Å
444	S	49.3	Very low	42.5	Very low	68 Å²	68	118.8 Å²	118.8	48%	0.476	59%	0.59	S	S	.	*	H	α-helix	trans	-61.6	-48	176.4	-58.1	0	0	0	0	110.4	H441 L446 I447 E448	H441-S444 WeakPolarHBondContact O-CB 3.35Å; H441-S444 PolarHBondContact O-N 2.71Å; H441-S444 PolarHBondContact O-OG 3.29Å; S444-L446 VanDerWaalsContact C-N 3.32Å; S444-L446 PolarHBondContact O-N 3.49Å; S444-I447 PolarHBondContact O-N 2.86Å; S444-E448 PolarHBondContact O-N 3.44Å
445	D	46.6	Very low	42.8	Very low	118 Å²	118	118.5 Å²	118.5	63%	0.631	58%	0.584	S	S	*	*	H	α-helix	trans	-67.2	-33.3	179.1	-52.6	-33.1	0	0	0	111.9	S449	D445-S449 VanDerWaalsContact O-CB 3.31Å; D445-S449 WeakPolarHBondContact O-CB 3.17Å; D445-S449 PolarHBondContact O-N 2.95Å; D445-S449 PolarHBondContact O-OG 2.94Å
446	L	47.9	Very low	42.9	Very low	30 Å²	30	119 Å²	119	16%	0.157	60%	0.595	C	S	.	*	H	α-helix	trans	-69.7	-37.9	173.6	-166.1	71.8	0	0	0	111.9	P442 L443 S444 S449 M450 T571	P442-L446 PolarHBondContact O-N 2.95Å; L443-L446 PolarHBondContact O-N 3.31Å; S444-L446 VanDerWaalsContact C-N 3.32Å; S444-L446 PolarHBondContact O-N 3.49Å; L446-S449 WeakPolarHBondContact CA-OG 3.32Å; L446-S449 PolarHBondContact O-OG 3.4Å; L446-M450 HydrophobicContact CD2-CE 4.48Å; L446-M450 HydrophobicContact CG-CE 4.14Å; L446-M450 WeakPolarHBondContact O-CB 3.5Å; L446-M450 VanDerWaalsContact O-CG 3.29Å; L446-M450 WeakPolarHBondContact O-CG 3.41Å; L446-M450 PolarHBondContact O-N 3.19Å; L446-T571 HydrophobicContact CD2-CG2 4.18Å
447	I	48.9	Very low	43.1	Very low	69 Å²	69	118.3 Å²	118.3	35%	0.354	59%	0.594	S	S	.	*	H	α-helix	trans	-67.7	-40.8	175.9	-74.5	164.5	0	0	0	110.6	L443 S444 K451	L443-I447 WeakPolarHBondContact O-CB 3.25Å; L443-I447 WeakPolarHBondContact O-CD1 3.4Å; L443-I447 WeakPolarHBondContact O-CG1 3.39Å; L443-I447 PolarHBondContact O-N 3.41Å; S444-I447 PolarHBondContact O-N 2.86Å; I447-K451 HydrophobicContact CG2-CD 4.39Å; I447-K451 VanDerWaalsContact CG2-CE 3.44Å; I447-K451 VanDerWaalsContact O-CG 3.25Å; I447-K451 WeakPolarHBondContact O-CG 3.43Å; I447-K451 PolarHBondContact O-N 3.09Å
448	E	52.4	Low	42.9	Very low	103 Å²	103	113.6 Å²	113.6	48%	0.481	59%	0.59	S	S	.	*	H	α-helix	trans	-69.9	-48.7	178.3	-135.4	72.9	151.3	0	0	111.4	S444 M450 K451 D452	S444-E448 PolarHBondContact O-N 3.44Å; E448-M450 VanDerWaalsContact C-N 3.29Å; E448-M450 PolarHBondContact O-N 3.16Å; E448-K451 WeakPolarHBondContact O-CB 3.48Å; E448-K451 PolarHBondContact O-N 2.81Å; E448-K451 IonicContact OE2-NZ 3.58Å; E448-K451 PolarHBondContact OE2-NZ 2.75Å; E448-D452 PolarHBondContact O-N 2.99Å
449	S	49	Very low	42.7	Very low	71 Å²	71	113.1 Å²	113.1	50%	0.497	59%	0.593	S	S	.	*	H	α-helix	trans	-63.9	-28.7	178.3	54.7	0	0	0	0	114.1	D445 L446	D445-S449 VanDerWaalsContact O-CB 3.31Å; D445-S449 WeakPolarHBondContact O-CB 3.17Å; D445-S449 PolarHBondContact O-N 2.95Å; D445-S449 PolarHBondContact O-OG 2.94Å; L446-S449 WeakPolarHBondContact CA-OG 3.32Å; L446-S449 PolarHBondContact O-OG 3.4Å
450	M	51.6	Low	42.9	Very low	86 Å²	86	107.3 Å²	107.3	42%	0.424	59%	0.589	S	S	.	*	H	α-helix	trans	-77	-26.6	171.1	-74.4	-167.1	-59.5	0	0	114	L446 E448	L446-M450 HydrophobicContact CD2-CE 4.48Å; L446-M450 HydrophobicContact CG-CE 4.14Å; L446-M450 WeakPolarHBondContact O-CB 3.5Å; L446-M450 VanDerWaalsContact O-CG 3.29Å; L446-M450 WeakPolarHBondContact O-CG 3.41Å; L446-M450 PolarHBondContact O-N 3.19Å; E448-M450 VanDerWaalsContact C-N 3.29Å; E448-M450 PolarHBondContact O-N 3.16Å
451	K	53.1	Low	42.6	Very low	139 Å²	139	106.3 Å²	106.3	60%	0.604	59%	0.588	S	S	*	*	H	α-helix	trans	-74.4	-38.8	174	-73	166	-169.7	163.2	0	112.2	I447 E448 G453	I447-K451 HydrophobicContact CG2-CD 4.39Å; I447-K451 VanDerWaalsContact CG2-CE 3.44Å; I447-K451 VanDerWaalsContact O-CG 3.25Å; I447-K451 WeakPolarHBondContact O-CG 3.43Å; I447-K451 PolarHBondContact O-N 3.09Å; E448-K451 WeakPolarHBondContact O-CB 3.48Å; E448-K451 PolarHBondContact O-N 2.81Å; E448-K451 IonicContact OE2-NZ 3.58Å; E448-K451 PolarHBondContact OE2-NZ 2.75Å; K451-G453 PolarHBondContact O-N 3.27Å
452	D	46.7	Very low	42	Very low	116 Å²	116	106.5 Å²	106.5	62%	0.62	59%	0.594	S	S	*	*	S	Bend	trans	-70.6	-10.8	-172.8	-80.4	-7.4	0	0	0	114.1	E448 K454	E448-D452 PolarHBondContact O-N 2.99Å; D452-K454 WeakPolarHBondContact O-CG 3.41Å; D452-K454 PolarHBondContact O-N 3.46Å
453	G	40.8	Very low	41.4	Very low	67 Å²	67	112.1 Å²	112.1	69%	0.691	62%	0.62	S	S	*	*			trans	64.5	7.8	173.1	0	0	0	0	0	115.3	K451 H455	K451-G453 PolarHBondContact O-N 3.27Å; G453-H455 PolarHBondContact O-N 3.28Å; G453-H455 VanDerWaalsContact O-N 3.16Å
454	K	39.9	Very low	40.8	Very low	173 Å²	173	118.3 Å²	118.3	75%	0.752	64%	0.639	S	S	*	*			trans	-89.5	73.3	-171.5	-73	-91.7	179.5	172	0	111.7	D452 C456	D452-K454 WeakPolarHBondContact O-CG 3.41Å; D452-K454 PolarHBondContact O-N 3.46Å; K454-C456 VanDerWaalsContact C-N 3.3Å; K454-C456 PolarHBondContact O-N 3.18Å
455	H	36	Very low	40.2	Very low	149 Å²	149	120.8 Å²	120.8	69%	0.69	65%	0.651	S	S	*	*			trans	-73	84.2	171.4	-151.8	-55.7	0	0	0	110.7	G453 Y457	G453-H455 PolarHBondContact O-N 3.28Å; G453-H455 VanDerWaalsContact O-N 3.16Å; H455-Y457 PolarHBondContact O-N 3.04Å
456	C	36	Very low	39.6	Very low	107 Å²	107	120 Å²	120	72%	0.723	65%	0.647	S	S	*	*			trans	-67.4	115.1	174.2	-68.7	0	0	0	0	110	K454 G458	K454-C456 VanDerWaalsContact C-N 3.3Å; K454-C456 PolarHBondContact O-N 3.18Å; C456-G458 PolarHBondContact O-N 2.89Å
457	Y	33	Very low	39	Very low	227 Å²	227	128 Å²	128	89%	0.89	68%	0.681	S	S	*	*			trans	-64.5	123.9	163.1	-77.1	-102.5	0	0	0	108.3	H455	H455-Y457 PolarHBondContact O-N 3.04Å
458	G	32.6	Very low	38.7	Very low	68 Å²	68	130 Å²	130	70%	0.701	70%	0.696	S	S	*	*			trans	-145.4	105.8	-175	0	0	0	0	0	110.5	C456	C456-G458 PolarHBondContact O-N 2.89Å
459	D	29.3	Very low	37.8	Very low	155 Å²	155	133.7 Å²	133.7	83%	0.829	71%	0.713	S	S	*	*			trans	-56.1	135.6	179.4	-120.6	-46.2	0	0	0	112.1
460	S	37.9	Very low	37.4	Very low	120 Å²	120	138.8 Å²	138.8	84%	0.839	73%	0.729	S	S	*	*			trans	-157.8	99.5	166.3	-80.4	0	0	0	0	109.7
461	T	31.7	Very low	36.7	Very low	111 Å²	111	143.7 Å²	143.7	68%	0.681	75%	0.751	S	S	*	*			trans	-66.5	161.9	-171.2	51.5	0	0	0	0	114.6
462	N	30.7	Very low	35.8	Very low	146 Å²	146	146.6 Å²	146.6	78%	0.781	77%	0.767	S	S	*	*			trans	64.8	91.2	159.4	-61.4	-31.1	0	0	0	118.2
463	I	33.6	Very low	35.5	Very low	168 Å²	168	150.2 Å²	150.2	86%	0.862	78%	0.78	S	S	*	*				-128.7	128.8	112.3	-89.4	158.9	0	0	0	106.5
464	R	29.7	Very low	35.1	Very low	194 Å²	194	156.2 Å²	156.2	73%	0.732	79%	0.79	S	S	*	*			trans	-112.9	114.7	179.3	178	-176.6	170	172.8	-4.4	109.6	D466	R464-D466 WeakPolarHBondContact CD-OD1 3.41Å; R464-D466 WeakPolarHBondContact CG-OD1 3.48Å; R464-D466 IonicContact CZ-OD1 3.16Å; R464-D466 IonicContact CZ-OD2 3.95Å; R464-D466 VanDerWaalsContact CZ-OD2 3.3Å; R464-D466 VanDerWaalsContact NE-CG 3.31Å; R464-D466 IonicContact NE-OD1 2.77Å; R464-D466 PolarHBondContact NE-OD1 2.89Å; R464-D466 IonicContact NE-OD2 2.7Å; R464-D466 PolarHBondContact NE-OD2 3.25Å; R464-D466 IonicContact NH2-OD1 3.32Å; R464-D466 IonicContact NH2-OD2 3.79Å; R464-D466 PolarHBondContact NH2-OD2 3.03Å
465	T	36.7	Very low	35.2	Very low	119 Å²	119	157.4 Å²	157.4	73%	0.73	80%	0.798	S	S	*	*			trans	-140.3	109.9	157.8	42.6	0	0	0	0	106.1
466	D	34.9	Very low	35.1	Very low	102 Å²	102	159.1 Å²	159.1	55%	0.545	81%	0.807	S	S	.	*	P	Polyproline II helix	trans	-69.8	133	-163.9	-54.2	-38.2	0	0	0	111.3	R464	R464-D466 WeakPolarHBondContact CD-OD1 3.41Å; R464-D466 WeakPolarHBondContact CG-OD1 3.48Å; R464-D466 IonicContact CZ-OD1 3.16Å; R464-D466 IonicContact CZ-OD2 3.95Å; R464-D466 VanDerWaalsContact CZ-OD2 3.3Å; R464-D466 VanDerWaalsContact NE-CG 3.31Å; R464-D466 IonicContact NE-OD1 2.77Å; R464-D466 PolarHBondContact NE-OD1 2.89Å; R464-D466 IonicContact NE-OD2 2.7Å; R464-D466 PolarHBondContact NE-OD2 3.25Å; R464-D466 IonicContact NH2-OD1 3.32Å; R464-D466 IonicContact NH2-OD2 3.79Å; R464-D466 PolarHBondContact NH2-OD2 3.03Å
467	F	34.8	Very low	35.3	Very low	198 Å²	198	162 Å²	162	87%	0.868	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-79.1	122.8	158.9	-77.8	-97.7	0	0	0	107.1
468	V	42.8	Very low	35.3	Very low	110 Å²	110	156.7 Å²	156.7	67%	0.667	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-85.2	116.3	162.3	177.2	0	0	0	0	106.6	E470	V468-E470 HydrophobicContact CG1-CG 3.88Å
469	E	33.5	Very low	35.4	Very low	182 Å²	182	159.1 Å²	159.1	85%	0.85	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-84.6	118.2	163.9	-63.6	175.5	156.2	0	0	106
470	E	39.3	Very low	35.9	Very low	177 Å²	177	156.8 Å²	156.8	83%	0.827	79%	0.789	S	S	*	*			trans	-117.6	137.3	170.8	-94.3	168.8	-165	0	0	107.9	V468	V468-E470 HydrophobicContact CG1-CG 3.88Å
471	E	37.1	Very low	36.2	Very low	189 Å²	189	157.2 Å²	157.2	88%	0.883	78%	0.782	S	S	*	*			trans	-91.9	158.8	-157.4	-60.9	179.7	120.3	0	0	112.7	E473	E471-E473 PolarHBondContact O-N 2.96Å
472	E	33.7	Very low	37.1	Very low	200 Å²	200	159.7 Å²	159.7	94%	0.935	79%	0.791	S	S	*	*			trans	-83.2	104.9	178	-64.5	176.2	148.2	0	0	109.9
473	E	40.8	Very low	37.8	Very low	192 Å²	192	159.8 Å²	159.8	90%	0.897	79%	0.791	S	S	*	*			trans	-105	118.3	165.4	-70.4	-166.5	144.9	0	0	110.4	E471	E471-E473 PolarHBondContact O-N 2.96Å
474	E	33	Very low	38.8	Very low	194 Å²	194	159.8 Å²	159.8	91%	0.907	79%	0.793	S	S	*	*			trans	-92.7	119.1	172.7	-61.7	-179.1	144.1	0	0	109.7
475	E	41.4	Very low	39.8	Very low	198 Å²	198	157.9 Å²	157.9	93%	0.925	80%	0.798	S	S	*	*			trans	-131	138.6	156.1	-71.6	-158.6	148.8	0	0	110.4
476	E	33.8	Very low	40.5	Very low	185 Å²	185	157.9 Å²	157.9	86%	0.864	80%	0.801	S	S	*	*			trans	-88.4	-166	178.2	-59.6	-171.3	123.9	0	0	111.3
477	E	40.1	Very low	41	Very low	167 Å²	167	162.4 Å²	162.4	78%	0.78	82%	0.819	S	S	*	*			trans	75.9	143	165.9	-62.9	-132.8	100.6	0	0	118.9
478	N	33.4	Very low	41.9	Very low	116 Å²	116	160.2 Å²	160.2	62%	0.62	82%	0.815	S	S	*	*			cis	-162.6	151.8	-33.8	-133.4	-31	0	0	0	112.3
479	T	35.3	Very low	42.1	Very low	118 Å²	118	162.3 Å²	162.3	72%	0.724	82%	0.822	S	S	*	*			trans	64	158.3	155	68.2	0	0	0	0	122.7
480	T	39.9	Very low	42.5	Very low	106 Å²	106	162.6 Å²	162.6	65%	0.65	82%	0.824	S	S	*	*			trans	86	84.1	151.7	-38.4	0	0	0	0	117.8
481	D	43.2	Very low	42.5	Very low	130 Å²	130	161.7 Å²	161.7	70%	0.695	83%	0.825	S	S	*	*				40.8	126.4	116.5	-38.4	-20.8	0	0	0	118.9
482	N	51	Low	42.8	Very low	162 Å²	162	158.3 Å²	158.3	87%	0.866	82%	0.822	S	S	*	*				-153.6	141.6	113.2	-94.6	-83.1	0	0	0	108.2
483	D	46	Very low	43.3	Very low	148 Å²	148	156.6 Å²	156.6	79%	0.791	82%	0.817	S	S	*	*			trans	-77.6	156.1	176	-47	-88.8	0	0	0	111.4
484	D	54.8	Low	43.2	Very low	168 Å²	168	155.2 Å²	155.2	90%	0.898	82%	0.816	S	S	*	*			trans	-150.9	119.8	161.1	-126	-22.7	0	0	0	109.3
485	D	50.3	Low	43.7	Very low	154 Å²	154	151.2 Å²	151.2	82%	0.824	81%	0.81	S	S	*	*			trans	-79.2	137.6	-170.8	-71.2	-58.1	0	0	0	113
486	C	51.2	Low	43.6	Very low	119 Å²	119	149.6 Å²	149.6	80%	0.804	81%	0.806	S	S	*	*			trans	-138.7	80.1	169.1	-88.7	0	0	0	0	110.7	I488	C486-I488 PolarHBondContact O-N 3.14Å
487	E	45.3	Very low	43.9	Very low	197 Å²	197	146 Å²	146	92%	0.921	80%	0.802	S	S	*	*			trans	-62.7	125.4	162.7	-66.4	-171.7	151.9	0	0	109.7
488	I	53.3	Low	43.7	Very low	152 Å²	152	144.3 Å²	144.3	78%	0.779	80%	0.798	S	S	*	*			trans	-135	126.3	169.1	-62.2	-177.1	0	0	0	107.7	C486	C486-I488 PolarHBondContact O-N 3.14Å
489	D	47.2	Very low	44	Very low	155 Å²	155	144.7 Å²	144.7	83%	0.829	81%	0.81	S	S	*	*			trans	-56.8	132.7	-165	-63.3	-69.3	0	0	0	115.1	N491	D489-N491 PolarHBondContact O-N 3.07Å
490	E	42	Very low	44.4	Very low	188 Å²	188	147.2 Å²	147.2	88%	0.879	82%	0.817	S	S	*	*	S	Bend	trans	-69.6	83.7	167.4	-67.6	-166.9	163.2	0	0	111.3
491	N	39.2	Very low	44.3	Very low	158 Å²	158	151.3 Å²	151.3	85%	0.845	82%	0.821	S	S	*	*			trans	-166.4	81.5	164.3	-95	-59.1	0	0	0	112.6	D489	D489-N491 PolarHBondContact O-N 3.07Å
492	S	43.1	Very low	44	Very low	118 Å²	118	152.1 Å²	152.1	83%	0.825	83%	0.825	S	S	*	*			trans	157.3	73.8	152.3	174.5	0	0	0	0	113.5
493	I	44.6	Very low	43.5	Very low	163 Å²	163	153 Å²	153	84%	0.836	82%	0.824	S	S	*	*			trans	-128.6	-12.6	169.2	-113.2	169.8	0	0	0	114.9	S495	I493-S495 VanDerWaalsContact C-N 3.3Å; I493-S495 PolarHBondContact O-N 2.9Å
494	D	39.8	Very low	43.4	Very low	164 Å²	164	156.2 Å²	156.2	88%	0.877	83%	0.826	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.8	73.9	174.2	-72.4	-32.5	0	0	0	112.7
495	S	43.2	Very low	42.5	Very low	110 Å²	110	152.9 Å²	152.9	77%	0.769	82%	0.817	S	S	*	*	T	Hydrogen-bonded Turn	trans	-154.8	-8	172.2	-79.3	0	0	0	0	116.3	I493	I493-S495 VanDerWaalsContact C-N 3.3Å; I493-S495 PolarHBondContact O-N 2.9Å
496	L	39.9	Very low	42.1	Very low	163 Å²	163	152 Å²	152	85%	0.853	82%	0.819	S	S	*	*	S	Bend	trans	-126.8	30.5	-170.5	-69.4	176.5	0	0	0	115.6
497	S	38.4	Very low	41.7	Very low	110 Å²	110	152.6 Å²	152.6	77%	0.769	81%	0.808	S	S	*	*	S	Bend	trans	-159.5	81.7	165.5	-83.9	0	0	0	0	114.2
498	N	37.4	Very low	41.3	Very low	132 Å²	132	148.2 Å²	148.2	71%	0.706	80%	0.796	S	S	*	*			trans	-175.6	80	152.8	-96.6	-47.8	0	0	0	110.4	R501	N498-R501 PolarHBondContact OD1-NH2 2.88Å
499	S	39.4	Very low	40.9	Very low	124 Å²	124	146.2 Å²	146.2	87%	0.867	79%	0.787	S	S	*	*			trans	-150.1	35.1	171.3	-155.4	0	0	0	0	112.7
500	I	42.7	Very low	40.7	Very low	170 Å²	170	143.2 Å²	143.2	87%	0.872	77%	0.77	S	S	*	*			trans	-140.1	87.5	169.5	-54	178.3	0	0	0	107.4
501	R	38.2	Very low	40.8	Very low	192 Å²	192	139.6 Å²	139.6	73%	0.725	76%	0.761	S	S	*	*			trans	-136.5	133	165.6	-66	-171.3	-173.3	-173.5	5.3	107.7	N498	N498-R501 PolarHBondContact OD1-NH2 2.88Å
502	D	36.3	Very low	41.1	Very low	147 Å²	147	138.1 Å²	138.1	79%	0.786	75%	0.749	S	S	*	*			trans	62.2	147.4	179.2	-51.3	-46.3	0	0	0	115.2
503	E	41.5	Very low	41.5	Very low	181 Å²	181	136.5 Å²	136.5	85%	0.846	73%	0.734	S	S	*	*			cis	-126.4	147.4	20.2	-58.7	-177.2	134.4	0	0	115.5
504	Y	42.8	Very low	41.7	Very low	215 Å²	215	132.5 Å²	132.5	84%	0.843	71%	0.714	S	S	*	*			trans	11.1	114.8	148.4	-63.6	-91	0	0	0	121.9
505	S	37.7	Very low	42.5	Very low	99 Å²	99	126.3 Å²	126.3	69%	0.692	68%	0.683	S	S	*	*				148.9	119.6	110.1	-169.6	0	0	0	0	113.4	K507	S505-K507 PolarHBondContact O-N 3.15Å
506	P	40.8	Very low	43.1	Very low	135 Å²	135	125.2 Å²	125.2	88%	0.877	67%	0.673	S	S	*	*			trans	-80.1	117.6	-174	31.1	-34.1	0	0	0	113.2
507	K	43.4	Very low	43.7	Very low	132 Å²	132	120.2 Å²	120.2	57%	0.574	65%	0.652	S	S	*	*			trans	-124.7	146.6	164.7	-70.9	176.3	179.6	173.3	0	109.6	S415 S505 L509	S415-K507 PolarHBondContact OG-NZ 3.31Å; S415-K507 VanDerWaalsContact OG-NZ 3.15Å; S505-K507 PolarHBondContact O-N 3.15Å; K507-L509 PolarHBondContact O-N 3.29Å
508	P	37.3	Very low	44.5	Very low	104 Å²	104	117.9 Å²	117.9	68%	0.675	63%	0.63	S	S	*	*			trans	-75.6	91.2	-172.8	30.4	-35.3	0	0	0	111.8	I510	P508-I510 PolarHBondContact O-N 2.86Å
509	L	44.9	Very low	45.3	Very low	110 Å²	110	111.9 Å²	111.9	58%	0.576	60%	0.599	S	S	*	*	G	3₁₀ helix	trans	-58.8	-18.8	-176	-129.6	78.1	0	0	0	115.2	K507 T511 E512	K507-L509 PolarHBondContact O-N 3.29Å; L509-T511 PolarHBondContact O-N 3Å; L509-T511 VanDerWaalsContact O-N 3.14Å; L509-E512 PolarHBondContact O-N 3.35Å; L509-E512 VanDerWaalsContact O-N 3.1Å
510	I	43	Very low	46.2	Very low	93 Å²	93	109 Å²	109	48%	0.477	58%	0.583	S	S	.	*	G	3₁₀ helix	trans	-60.6	-26.9	-170.4	-65.2	175.9	0	0	0	112.8	I214 P508 V592	I214-I510 HydrophobicContact CD1-CD1 3.81Å; I214-I510 HydrophobicContact CG1-CD1 4.33Å; I214-I510 HydrophobicContact CG2-CD1 4.22Å; P508-I510 PolarHBondContact O-N 2.86Å; I510-V592 HydrophobicContact CD1-CG1 4.26Å
511	T	42.9	Very low	46.9	Very low	111 Å²	111	105.2 Å²	105.2	68%	0.681	57%	0.571	S	S	*	*	G	3₁₀ helix	trans	-81.9	-17.4	178.8	51.7	0	0	0	0	114.7	L509	L509-T511 PolarHBondContact O-N 3Å; L509-T511 VanDerWaalsContact O-N 3.14Å
512	E	46.4	Very low	47.6	Very low	127 Å²	127	99.1 Å²	99.1	59%	0.593	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.3	-40.1	-174.6	-65.3	-173.4	153.4	0	0	112.1	L509 L514 S515 L518	L509-E512 PolarHBondContact O-N 3.35Å; L509-E512 VanDerWaalsContact O-N 3.1Å; E512-L514 PolarHBondContact O-N 3.49Å; E512-L514 VanDerWaalsContact O-N 3.13Å; E512-S515 PolarHBondContact O-N 3.15Å; E512-S515 VanDerWaalsContact O-N 3.11Å; E512-S515 PolarHBondContact O-OG 2.92Å; E512-L518 WeakPolarHBondContact O-CD2 3.45Å
513	V	51.1	Low	48.5	Very low	85 Å²	85	98.9 Å²	98.9	52%	0.515	56%	0.557	S	S	.	*	T	Hydrogen-bonded Turn	trans	-57.5	-28.8	-174.4	-179.8	0	0	0	0	113.8
514	L	49.1	Very low	49.6	Very low	79 Å²	79	91.9 Å²	91.9	41%	0.414	53%	0.534	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.3	21.7	179.9	-63.1	177.8	0	0	0	113.1	E512 L534 F588	E512-L514 PolarHBondContact O-N 3.49Å; E512-L514 VanDerWaalsContact O-N 3.13Å; L514-L534 HydrophobicContact CB-CD1 4.4Å; L514-L534 HydrophobicContact CD2-CD1 4.24Å; L514-F588 HydrophobicContact CD2-CE1 4.47Å
515	S	56.1	Low	50.4	Low	34 Å²	34	86.1 Å²	86.1	24%	0.238	52%	0.523	C	S	.	.			trans	-65.5	136.6	175.8	64	0	0	0	0	110.7	E512 S517 L518 C519	E512-S515 PolarHBondContact O-N 3.15Å; E512-S515 VanDerWaalsContact O-N 3.11Å; E512-S515 PolarHBondContact O-OG 2.92Å; S515-S517 PolarHBondContact O-N 3.29Å; S515-S517 VanDerWaalsContact O-N 3.11Å; S515-L518 WeakPolarHBondContact O-CB 3.46Å; S515-L518 PolarHBondContact O-N 3.4Å; S515-L518 VanDerWaalsContact OG-CB 3.29Å; S515-L518 WeakPolarHBondContact OG-CB 3.36Å; S515-L518 PolarHBondContact OG-N 2.78Å; S515-C519 PolarHBondContact O-N 3.08Å
516	P	55.5	Low	51.4	Low	86 Å²	86	84.4 Å²	84.4	56%	0.558	51%	0.508	S	S	*	.	H	α-helix	trans	-55.9	-31.5	178.3	-28.4	35.8	0	0	0	113.1	C519 A520	P516-C519 PolarHBondContact O-N 3.19Å; P516-A520 VanDerWaalsContact O-CB 3.3Å; P516-A520 WeakPolarHBondContact O-CB 3.29Å; P516-A520 PolarHBondContact O-N 3.21Å
517	S	53.8	Low	52.4	Low	58 Å²	58	78 Å²	78	41%	0.406	47%	0.466	S	S	.	.	H	α-helix	trans	-61.6	-41.5	172.8	-50	0	0	0	0	112.7	Y426 S515 A520 S521	Y426-S517 PolarHBondContact OH-OG 3.14Å; S515-S517 PolarHBondContact O-N 3.29Å; S515-S517 VanDerWaalsContact O-N 3.11Å; S517-A520 PolarHBondContact O-N 3.08Å; S517-S521 WeakPolarHBondContact O-CB 3.39Å; S517-S521 PolarHBondContact O-N 3.42Å; S517-S521 PolarHBondContact O-OG 3.13Å
518	L	53.4	Low	53.2	Low	61 Å²	61	77.2 Å²	77.2	32%	0.319	47%	0.465	S	S	.	.	H	α-helix	trans	-72.1	-40.4	177.4	-166.3	75.6	0	0	0	111.4	E512 S515 A520 S521 Y523	E512-L518 WeakPolarHBondContact O-CD2 3.45Å; S515-L518 WeakPolarHBondContact O-CB 3.46Å; S515-L518 PolarHBondContact O-N 3.4Å; S515-L518 VanDerWaalsContact OG-CB 3.29Å; S515-L518 WeakPolarHBondContact OG-CB 3.36Å; S515-L518 PolarHBondContact OG-N 2.78Å; L518-A520 VanDerWaalsContact C-N 3.27Å; L518-A520 PolarHBondContact O-N 2.94Å; L518-S521 WeakPolarHBondContact CA-OG 3.27Å; L518-S521 PolarHBondContact O-N 2.93Å; L518-S521 PolarHBondContact O-OG 3.24Å; L518-Y523 HydrophobicContact CG-CE2 4.21Å; L518-Y523 WeakPolarHBondContact O-CD2 3.49Å
519	C	55.5	Low	54.4	Low	6 Å²	6	73 Å²	73	4%	0.041	44%	0.437	C	S	.	.	H	α-helix	trans	-58.6	-40.1	172.5	-61.7	0	0	0	0	111.6	S515 P516 G527 T531	S515-C519 PolarHBondContact O-N 3.08Å; P516-C519 PolarHBondContact O-N 3.19Å; C519-G527 VanDerWaalsContact O-CA 3.24Å; C519-G527 WeakPolarHBondContact O-CA 3.45Å; C519-T531 WeakPolarHBondContact CB-OG1 3.49Å
520	A	57.9	Low	55.4	Low	65 Å²	65	69 Å²	69	54%	0.537	42%	0.415	S	S	.	.	H	α-helix	trans	-75.8	-25.3	176.7	0	0	0	0	0	114.3	P516 S517 L518 G522	P516-A520 VanDerWaalsContact O-CB 3.3Å; P516-A520 WeakPolarHBondContact O-CB 3.29Å; P516-A520 PolarHBondContact O-N 3.21Å; S517-A520 PolarHBondContact O-N 3.08Å; L518-A520 VanDerWaalsContact C-N 3.27Å; L518-A520 PolarHBondContact O-N 2.94Å; A520-G522 PolarHBondContact O-N 3.27Å
521	S	58.3	Low	56.4	Low	89 Å²	89	67.1 Å²	67.1	62%	0.622	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	5.4	-169	71.3	0	0	0	0	116.2	S517 L518	S517-S521 WeakPolarHBondContact O-CB 3.39Å; S517-S521 PolarHBondContact O-N 3.42Å; S517-S521 PolarHBondContact O-OG 3.13Å; L518-S521 WeakPolarHBondContact CA-OG 3.27Å; L518-S521 PolarHBondContact O-N 2.93Å; L518-S521 PolarHBondContact O-OG 3.24Å
522	G	53	Low	57.3	Low	64 Å²	64	68.6 Å²	68.6	66%	0.66	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-178.5	-22.9	177.5	0	0	0	0	0	118.7	A520 G524	A520-G522 PolarHBondContact O-N 3.27Å; G522-G524 PolarHBondContact O-N 3.13Å
523	Y	55	Low	58.1	Low	142 Å²	142	65 Å²	65	56%	0.557	38%	0.382	S	S	*	.			trans	-80.2	19.7	-168	-66.9	-86.7	0	0	0	115.8	L518 V526 G527	L518-Y523 HydrophobicContact CG-CE2 4.21Å; L518-Y523 WeakPolarHBondContact O-CD2 3.49Å; Y523-V526 PolarHBondContact O-N 3.45Å; Y523-V526 VanDerWaalsContact O-N 3.17Å; Y523-G527 PolarHBondContact O-N 3.21Å
524	G	64.4	Low	58.7	Low	35 Å²	35	63.1 Å²	63.1	36%	0.361	37%	0.369	S	S	.	.	H	α-helix	trans	52.1	-138.9	174.2	0	0	0	0	0	113.7	G522 V526 G527 H528	G522-G524 PolarHBondContact O-N 3.13Å; G524-V526 VanDerWaalsContact C-N 3.28Å; G524-V526 PolarHBondContact O-N 3.3Å; G524-G527 PolarHBondContact O-N 3.46Å; G524-H528 PolarHBondContact O-N 2.92Å; G524-H528 PolarHBondContact O-ND1 3.15Å
525	P	59.3	Low	59.6	Low	94 Å²	94	63.1 Å²	63.1	61%	0.61	37%	0.374	S	S	*	.	H	α-helix	trans	-58.6	-34.3	176.6	-25.6	35.5	0	0	0	114.1	H528 L529 M583	P525-H528 PolarHBondContact O-N 3.42Å; P525-L529 PolarHBondContact O-N 3.06Å; P525-M583 HydrophobicContact CB-CE 4.47Å
526	V	57.7	Low	59.9	Low	63 Å²	63	64.9 Å²	64.9	38%	0.382	38%	0.379	S	S	.	.	H	α-helix	trans	-66.7	-39.8	178.9	-178.2	0	0	0	0	110.7	Y523 G524 H528 L529 L530	Y523-V526 PolarHBondContact O-N 3.45Å; Y523-V526 VanDerWaalsContact O-N 3.17Å; G524-V526 VanDerWaalsContact C-N 3.28Å; G524-V526 PolarHBondContact O-N 3.3Å; V526-H528 VanDerWaalsContact C-N 3.33Å; V526-H528 PolarHBondContact O-N 3.39Å; V526-L529 WeakPolarHBondContact O-CB 3.5Å; V526-L529 PolarHBondContact O-N 2.7Å; V526-L530 HydrophobicContact CG1-CD1 4.19Å; V526-L530 WeakPolarHBondContact O-CB 3.44Å; V526-L530 WeakPolarHBondContact O-CG 3.43Å; V526-L530 PolarHBondContact O-N 3.37Å
527	G	62.1	Low	60.2	Low	0 Å²	0	67.4 Å²	67.4	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-60.9	-39.5	171.8	0	0	0	0	0	113.2	C519 Y523 G524 L529 T531	C519-G527 VanDerWaalsContact O-CA 3.24Å; C519-G527 WeakPolarHBondContact O-CA 3.45Å; Y523-G527 PolarHBondContact O-N 3.21Å; G524-G527 PolarHBondContact O-N 3.46Å; G527-L529 VanDerWaalsContact C-N 3.33Å; G527-T531 WeakPolarHBondContact O-CB 3.29Å; G527-T531 PolarHBondContact O-N 3.46Å; G527-T531 PolarHBondContact O-OG1 3.12Å
528	H	60.5	Low	60.5	Low	115 Å²	115	69 Å²	69	53%	0.532	38%	0.381	S	S	.	.	H	α-helix	trans	-73.6	-22.2	176.3	-70.6	74.1	0	0	0	113.5	G524 P525 V526 R532	G524-H528 PolarHBondContact O-N 2.92Å; G524-H528 PolarHBondContact O-ND1 3.15Å; P525-H528 PolarHBondContact O-N 3.42Å; V526-H528 VanDerWaalsContact C-N 3.33Å; V526-H528 PolarHBondContact O-N 3.39Å; H528-R532 PolarHBondContact O-NE 3.1Å; H528-R532 PolarHBondContact O-NH2 3.06Å
529	L	62.3	Low	60.7	Low	17 Å²	17	71.2 Å²	71.2	9%	0.089	39%	0.388	C	S	.	.	H	α-helix	trans	-76.5	-54.2	169.9	-172.4	67.5	0	0	0	109.8	P525 V526 G527 T531 R532 W533 M579	P525-L529 PolarHBondContact O-N 3.06Å; V526-L529 WeakPolarHBondContact O-CB 3.5Å; V526-L529 PolarHBondContact O-N 2.7Å; G527-L529 VanDerWaalsContact C-N 3.33Å; L529-T531 VanDerWaalsContact C-N 3.33Å; L529-T531 PolarHBondContact O-N 2.93Å; L529-R532 PolarHBondContact O-N 3.4Å; L529-W533 HydrophobicContact CD1-CG 4.44Å; L529-W533 HydrophobicContact CG-CG 4.42Å; L529-W533 WeakPolarHBondContact O-CB 3.16Å; L529-W533 PolarHBondContact O-N 3.13Å; L529-M579 HydrophobicContact CD1-CE 4.32Å; L529-M579 HydrophobicContact CD2-SD 4.47Å
530	L	65.8	Low	60.8	Low	25 Å²	25	71.9 Å²	71.9	13%	0.131	39%	0.392	C	S	.	.	H	α-helix	trans	-54.4	-43.6	178.4	-78.7	171	0	0	0	113.2	V526 R532 W533 L534 L586	V526-L530 HydrophobicContact CG1-CD1 4.19Å; V526-L530 WeakPolarHBondContact O-CB 3.44Å; V526-L530 WeakPolarHBondContact O-CG 3.43Å; V526-L530 PolarHBondContact O-N 3.37Å; L530-R532 PolarHBondContact O-N 3.43Å; L530-R532 VanDerWaalsContact O-N 3.15Å; L530-W533 PolarHBondContact O-N 2.94Å; L530-L534 HydrophobicContact CB-CD1 4.18Å; L530-L534 HydrophobicContact CB-CG 4.48Å; L530-L534 HydrophobicContact CD2-CD1 4.13Å; L530-L534 HydrophobicContact CD2-CD2 4.24Å; L530-L534 HydrophobicContact CD2-CG 4.03Å; L530-L534 WeakPolarHBondContact O-CB 3.47Å; L530-L534 WeakPolarHBondContact O-CG 3.42Å; L530-L534 PolarHBondContact O-N 3.11Å; L530-L586 HydrophobicContact CD2-CD1 3.74Å; L530-L586 HydrophobicContact CD2-CD2 3.98Å; L530-L586 HydrophobicContact CD2-CG 4.5Å; L530-L586 HydrophobicContact CG-CD1 4.31Å
531	T	64	Low	61	Low	54 Å²	54	72.9 Å²	72.9	33%	0.331	39%	0.386	S	S	.	.	H	α-helix	trans	-60.3	-25.6	178.8	-55.4	0	0	0	0	112.6	C519 G527 L529	C519-T531 WeakPolarHBondContact CB-OG1 3.49Å; G527-T531 WeakPolarHBondContact O-CB 3.29Å; G527-T531 PolarHBondContact O-N 3.46Å; G527-T531 PolarHBondContact O-OG1 3.12Å; L529-T531 VanDerWaalsContact C-N 3.33Å; L529-T531 PolarHBondContact O-N 2.93Å
532	R	63.1	Low	61.3	Low	142 Å²	142	73.3 Å²	73.3	54%	0.536	38%	0.381	S	S	.	.	H	α-helix	trans	-94.3	-40	175.1	-71.7	-179.2	-79.8	-176.9	-0.9	112.6	H528 L529 L530 Q536	H528-R532 PolarHBondContact O-NE 3.1Å; H528-R532 PolarHBondContact O-NH2 3.06Å; L529-R532 PolarHBondContact O-N 3.4Å; L530-R532 PolarHBondContact O-N 3.43Å; L530-R532 VanDerWaalsContact O-N 3.15Å; R532-Q536 VanDerWaalsContact O-CG 3.29Å; R532-Q536 WeakPolarHBondContact O-CG 3.23Å; R532-Q536 PolarHBondContact O-OE1 3.11Å
533	W	61.6	Low	61.7	Low	50 Å²	50	73.5 Å²	73.5	19%	0.189	37%	0.367	C	S	.	.	H	α-helix	trans	-75.1	-37.7	-176.8	-93.9	63.3	0	0	0	114.4	L529 L530 Q536 R537 L565 L568 S572	L529-W533 HydrophobicContact CD1-CG 4.44Å; L529-W533 HydrophobicContact CG-CG 4.42Å; L529-W533 WeakPolarHBondContact O-CB 3.16Å; L529-W533 PolarHBondContact O-N 3.13Å; L530-W533 PolarHBondContact O-N 2.94Å; W533-Q536 PolarHBondContact O-N 2.89Å; W533-R537 WeakPolarHBondContact O-CB 3.48Å; W533-R537 PolarHBondContact O-N 3.05Å; W533-L565 HydrophobicContact CH2-CD1 4.38Å; W533-L565 HydrophobicContact CZ3-CD1 3.92Å; W533-L568 HydrophobicContact CH2-CB 4.3Å; W533-S572 PolarHBondContact NE1-OG 3.02Å
534	L	64.7	Low	61.9	Low	46 Å²	46	67.9 Å²	67.9	24%	0.241	35%	0.346	C	S	.	.	H	α-helix	trans	-62.7	-44.7	-176.3	-70	170.6	0	0	0	112.9	L514 L530 R537 N538	L514-L534 HydrophobicContact CB-CD1 4.4Å; L514-L534 HydrophobicContact CD2-CD1 4.24Å; L530-L534 HydrophobicContact CB-CD1 4.18Å; L530-L534 HydrophobicContact CB-CG 4.48Å; L530-L534 HydrophobicContact CD2-CD1 4.13Å; L530-L534 HydrophobicContact CD2-CD2 4.24Å; L530-L534 HydrophobicContact CD2-CG 4.03Å; L530-L534 WeakPolarHBondContact O-CB 3.47Å; L530-L534 WeakPolarHBondContact O-CG 3.42Å; L530-L534 PolarHBondContact O-N 3.11Å; L534-R537 PolarHBondContact O-N 3.38Å; L534-N538 PolarHBondContact O-N 2.97Å
535	P	66.8	Low	61.7	Low	80 Å²	80	68.7 Å²	68.7	52%	0.519	35%	0.354	S	S	.	.	H	α-helix	trans	-64.1	-39.9	172.9	-22.1	34.4	0	0	0	113.1	N538 F539	P535-N538 PolarHBondContact O-N 3.31Å; P535-F539 WeakPolarHBondContact O-CB 3.25Å; P535-F539 PolarHBondContact O-N 2.99Å
536	Q	62.1	Low	61.7	Low	70 Å²	70	68.7 Å²	68.7	33%	0.327	36%	0.356	S	S	.	.	H	α-helix	trans	-64	-40.9	178.6	-71.8	173.5	-20.8	0	0	111.9	R532 W533 F539 C540 L568	R532-Q536 VanDerWaalsContact O-CG 3.29Å; R532-Q536 WeakPolarHBondContact O-CG 3.23Å; R532-Q536 PolarHBondContact O-OE1 3.11Å; W533-Q536 PolarHBondContact O-N 2.89Å; Q536-F539 WeakPolarHBondContact O-CB 3.2Å; Q536-F539 PolarHBondContact O-N 3Å; Q536-C540 PolarHBondContact O-N 2.67Å; Q536-C540 PolarHBondContact O-SG 3.46Å; Q536-L568 HydrophobicContact CB-CD2 4.29Å
537	R	63.6	Low	61.5	Low	140 Å²	140	72.1 Å²	72.1	53%	0.528	37%	0.373	S	S	.	.	H	α-helix	trans	-59.3	-48.6	174	176.1	178.7	167.2	161.3	1.6	111.4	W533 L534 F539 C540 E541	W533-R537 WeakPolarHBondContact O-CB 3.48Å; W533-R537 PolarHBondContact O-N 3.05Å; L534-R537 PolarHBondContact O-N 3.38Å; R537-F539 VanDerWaalsContact C-N 3.33Å; R537-F539 PolarHBondContact O-N 3.22Å; R537-C540 PolarHBondContact O-N 2.66Å; R537-E541 IonicContact CZ-OE1 2.66Å; R537-E541 IonicContact NE-OE1 2.67Å; R537-E541 PolarHBondContact NE-OE1 3.46Å; R537-E541 IonicContact NH2-OE1 3.54Å; R537-E541 PolarHBondContact NH2-OE1 2.69Å; R537-E541 WeakPolarHBondContact O-CG 3.27Å; R537-E541 PolarHBondContact O-N 3.21Å
538	N	60.1	Low	61.1	Low	90 Å²	90	74.8 Å²	74.8	48%	0.481	39%	0.385	S	S	.	.	H	α-helix	trans	-65.9	-36.6	179.9	-174.6	-115.4	0	0	0	112.1	L534 P535 E541 L542	L534-N538 PolarHBondContact O-N 2.97Å; P535-N538 PolarHBondContact O-N 3.31Å; N538-E541 PolarHBondContact O-N 2.94Å; N538-L542 WeakPolarHBondContact O-CG 3.5Å; N538-L542 PolarHBondContact O-N 3.22Å
539	F	56.8	Low	61	Low	109 Å²	109	72.2 Å²	72.2	48%	0.478	38%	0.38	S	S	.	.	H	α-helix	trans	-60.1	-43.1	170.7	177.6	-102.2	0	0	0	112.2	P535 Q536 R537 L542 L543	P535-F539 WeakPolarHBondContact O-CB 3.25Å; P535-F539 PolarHBondContact O-N 2.99Å; Q536-F539 WeakPolarHBondContact O-CB 3.2Å; Q536-F539 PolarHBondContact O-N 3Å; R537-F539 VanDerWaalsContact C-N 3.33Å; R537-F539 PolarHBondContact O-N 3.22Å; F539-L542 PolarHBondContact O-N 3.13Å; F539-L543 HydrophobicContact CD1-CD1 4.13Å; F539-L543 HydrophobicContact CD2-CD1 3.92Å; F539-L543 HydrophobicContact CE1-CD1 3.77Å; F539-L543 HydrophobicContact CE1-CD2 3.87Å; F539-L543 HydrophobicContact CE1-CG 4.47Å; F539-L543 HydrophobicContact CE2-CD1 3.54Å; F539-L543 HydrophobicContact CG-CD1 4.21Å; F539-L543 HydrophobicContact CZ-CD1 3.46Å; F539-L543 VanDerWaalsContact CZ-CD1 3.46Å; F539-L543 HydrophobicContact CZ-CD2 4.07Å; F539-L543 HydrophobicContact CZ-CG 4.44Å; F539-L543 WeakPolarHBondContact O-CD1 3.34Å; F539-L543 PolarHBondContact O-N 2.91Å
540	C	57.4	Low	60.9	Low	19 Å²	19	77.1 Å²	77.1	13%	0.128	41%	0.413	C	S	.	.	H	α-helix	trans	-65.5	-41.1	174	-71.4	0	0	0	0	112.8	Q536 R537 L542 L543 I544	Q536-C540 PolarHBondContact O-N 2.67Å; Q536-C540 PolarHBondContact O-SG 3.46Å; R537-C540 PolarHBondContact O-N 2.66Å; C540-L542 VanDerWaalsContact C-N 3.28Å; C540-L542 PolarHBondContact O-N 2.89Å; C540-L543 PolarHBondContact O-N 2.85Å; C540-I544 WeakPolarHBondContact O-CB 3.49Å; C540-I544 WeakPolarHBondContact O-CD1 3.47Å; C540-I544 WeakPolarHBondContact O-CG1 3.38Å; C540-I544 PolarHBondContact O-N 3.42Å
541	E	61.3	Low	60.5	Low	87 Å²	87	82.5 Å²	82.5	41%	0.407	44%	0.442	S	S	.	.	H	α-helix	trans	-59.6	-37.9	173.9	-71.7	168	172.3	0	0	111.5	R537 N538 G545	R537-E541 IonicContact CZ-OE1 2.66Å; R537-E541 IonicContact NE-OE1 2.67Å; R537-E541 PolarHBondContact NE-OE1 3.46Å; R537-E541 IonicContact NH2-OE1 3.54Å; R537-E541 PolarHBondContact NH2-OE1 2.69Å; R537-E541 WeakPolarHBondContact O-CG 3.27Å; R537-E541 PolarHBondContact O-N 3.21Å; N538-E541 PolarHBondContact O-N 2.94Å; E541-G545 PolarHBondContact O-N 3.11Å; E541-G545 VanDerWaalsContact O-N 3.07Å
542	L	65	Low	60.5	Low	98 Å²	98	82 Å²	82	51%	0.513	44%	0.439	S	S	.	.	H	α-helix	trans	-70.2	-41.4	173.3	-71.5	168.7	0	0	0	113.4	N538 F539 C540 I544 G545 S546	N538-L542 WeakPolarHBondContact O-CG 3.5Å; N538-L542 PolarHBondContact O-N 3.22Å; F539-L542 PolarHBondContact O-N 3.13Å; C540-L542 VanDerWaalsContact C-N 3.28Å; C540-L542 PolarHBondContact O-N 2.89Å; L542-I544 VanDerWaalsContact C-N 3.3Å; L542-I544 PolarHBondContact O-N 3.28Å; L542-G545 PolarHBondContact O-N 3.45Å; L542-S546 VanDerWaalsContact O-CB 3.22Å; L542-S546 WeakPolarHBondContact O-CB 3.36Å; L542-S546 PolarHBondContact O-N 3.49Å; L542-S546 PolarHBondContact O-OG 3.45Å
543	L	61.7	Low	60.7	Low	68 Å²	68	78.8 Å²	78.8	36%	0.356	44%	0.438	S	S	.	.	H	α-helix	trans	-65	-34.3	176.3	-101.9	69.2	0	0	0	112.3	F539 C540 N547	F539-L543 HydrophobicContact CD1-CD1 4.13Å; F539-L543 HydrophobicContact CD2-CD1 3.92Å; F539-L543 HydrophobicContact CE1-CD1 3.77Å; F539-L543 HydrophobicContact CE1-CD2 3.87Å; F539-L543 HydrophobicContact CE1-CG 4.47Å; F539-L543 HydrophobicContact CE2-CD1 3.54Å; F539-L543 HydrophobicContact CG-CD1 4.21Å; F539-L543 HydrophobicContact CZ-CD1 3.46Å; F539-L543 VanDerWaalsContact CZ-CD1 3.46Å; F539-L543 HydrophobicContact CZ-CD2 4.07Å; F539-L543 HydrophobicContact CZ-CG 4.44Å; F539-L543 WeakPolarHBondContact O-CD1 3.34Å; F539-L543 PolarHBondContact O-N 2.91Å; C540-L543 PolarHBondContact O-N 2.85Å; L543-N547 PolarHBondContact O-ND2 3.07Å
544	I	59.4	Low	61.1	Low	23 Å²	23	81.2 Å²	81.2	12%	0.118	45%	0.451	C	S	.	.	H	α-helix	trans	-64	-57.5	171.2	-69.4	161.4	0	0	0	109	C540 L542 S546 N547 E548 R561 L564	C540-I544 WeakPolarHBondContact O-CB 3.49Å; C540-I544 WeakPolarHBondContact O-CD1 3.47Å; C540-I544 WeakPolarHBondContact O-CG1 3.38Å; C540-I544 PolarHBondContact O-N 3.42Å; L542-I544 VanDerWaalsContact C-N 3.3Å; L542-I544 PolarHBondContact O-N 3.28Å; I544-S546 VanDerWaalsContact C-N 3.25Å; I544-S546 PolarHBondContact O-N 2.73Å; I544-N547 PolarHBondContact O-N 3.05Å; I544-E548 HydrophobicContact CG2-CG 4.49Å; I544-E548 WeakPolarHBondContact CG2-OE1 3.2Å; I544-E548 WeakPolarHBondContact O-CG 3.19Å; I544-E548 PolarHBondContact O-N 3.15Å; I544-R561 HydrophobicContact CD1-CG 3.65Å; I544-L564 HydrophobicContact CD1-CD1 3.79Å; I544-L564 HydrophobicContact CG1-CD1 3.65Å
545	G	60.3	Low	61.5	Low	52 Å²	52	83.7 Å²	83.7	54%	0.536	46%	0.462	S	S	.	.	H	α-helix	trans	-63.2	-24.1	-177.2	0	0	0	0	0	115.6	E541 L542	E541-G545 PolarHBondContact O-N 3.11Å; E541-G545 VanDerWaalsContact O-N 3.07Å; L542-G545 PolarHBondContact O-N 3.45Å
546	S	59.6	Low	61.7	Low	94 Å²	94	82.3 Å²	82.3	66%	0.657	46%	0.457	S	S	*	.	H	α-helix	trans	-85.3	-14.5	-177.3	-60.8	0	0	0	0	114.4	L542 I544	L542-S546 VanDerWaalsContact O-CB 3.22Å; L542-S546 WeakPolarHBondContact O-CB 3.36Å; L542-S546 PolarHBondContact O-N 3.49Å; L542-S546 PolarHBondContact O-OG 3.45Å; I544-S546 VanDerWaalsContact C-N 3.25Å; I544-S546 PolarHBondContact O-N 2.73Å
547	N	53.5	Low	61.8	Low	136 Å²	136	81 Å²	81	73%	0.727	45%	0.451	S	S	*	.	H	α-helix	trans	-115.6	-0.6	-178.6	-66.4	-77.2	0	0	0	113.3	L543 I544	L543-N547 PolarHBondContact O-ND2 3.07Å; I544-N547 PolarHBondContact O-N 3.05Å
548	E	54.3	Low	61.9	Low	56 Å²	56	77.1 Å²	77.1	26%	0.262	44%	0.436	S	S	.	.			trans	-87.3	120.6	-179.6	-80	177.1	172.3	0	0	111.9	I544 K557	I544-E548 HydrophobicContact CG2-CG 4.49Å; I544-E548 WeakPolarHBondContact CG2-OE1 3.2Å; I544-E548 WeakPolarHBondContact O-CG 3.19Å; I544-E548 PolarHBondContact O-N 3.15Å; E548-K557 VanDerWaalsContact CD-NZ 3.34Å; E548-K557 WeakPolarHBondContact OE1-CD 3.23Å; E548-K557 WeakPolarHBondContact OE1-CG 3.45Å; E548-K557 IonicContact OE1-NZ 3.92Å; E548-K557 WeakPolarHBondContact OE2-CD 3.13Å; E548-K557 IonicContact OE2-NZ 2.69Å; E548-K557 PolarHBondContact OE2-NZ 3.27Å
549	S	56.7	Low	62.5	Low	61 Å²	61	77.6 Å²	77.6	43%	0.427	44%	0.438	S	S	.	.			trans	-65.5	150.4	155.3	61.9	0	0	0	0	109.5	D551 T552	S549-D551 PolarHBondContact O-N 2.79Å; S549-D551 VanDerWaalsContact O-N 3.11Å; S549-T552 PolarHBondContact O-N 3.07Å; S549-T552 PolarHBondContact O-OG1 2.88Å
550	P	60.7	Low	63.2	Low	119 Å²	119	78 Å²	78	77%	0.773	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-24.7	-179.3	24.9	-34.8	0	0	0	113	T552	P550-T552 PolarHBondContact O-N 3.3Å
551	D	58	Low	63.6	Low	139 Å²	139	82.7 Å²	82.7	74%	0.743	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-0.7	-177.1	-39.8	-68.3	0	0	0	114	S549 S553	S549-D551 PolarHBondContact O-N 2.79Å; S549-D551 VanDerWaalsContact O-N 3.11Å; D551-S553 PolarHBondContact O-N 3.06Å
552	T	63.4	Low	64	Low	44 Å²	44	84.6 Å²	84.6	27%	0.27	46%	0.458	S	S	.	.			trans	-68.3	116.4	178.7	42	0	0	0	0	111.5	S549 P550 K557	S549-T552 PolarHBondContact O-N 3.07Å; S549-T552 PolarHBondContact O-OG1 2.88Å; P550-T552 PolarHBondContact O-N 3.3Å; T552-K557 WeakPolarHBondContact O-CE 3.31Å; T552-K557 WeakPolarHBondContact OG1-CE 3.49Å; T552-K557 PolarHBondContact OG1-NZ 2.91Å
553	S	68.2	Low	64.4	Low	74 Å²	74	83.9 Å²	83.9	52%	0.517	45%	0.452	S	S	.	.			trans	-53.3	138.7	178.4	176.5	0	0	0	0	112.3	D551 E555 A556 K557	D551-S553 PolarHBondContact O-N 3.06Å; S553-E555 PolarHBondContact O-N 2.7Å; S553-E555 VanDerWaalsContact O-N 3.08Å; S553-E555 PolarHBondContact OG-N 2.97Å; S553-A556 WeakPolarHBondContact O-CA 3.35Å; S553-A556 WeakPolarHBondContact O-CB 3.5Å; S553-A556 PolarHBondContact O-N 3.47Å; S553-K557 WeakPolarHBondContact O-CG 3.23Å; S553-K557 PolarHBondContact O-N 3.15Å; S553-K557 VanDerWaalsContact O-N 3.08Å
554	E	69.4	Low	64.8	Low	100 Å²	100	82 Å²	82	47%	0.467	44%	0.442	S	S	.	.	H	α-helix	trans	-48.7	-36.5	176.2	-178.2	175.9	-147	0	0	112.9	R232 K557 W558	R232-E554 IonicContact CZ-OE2 3.41Å; R232-E554 IonicContact NE-OE2 3.3Å; R232-E554 PolarHBondContact NE-OE2 3.2Å; R232-E554 IonicContact NH2-OE2 2.69Å; R232-E554 PolarHBondContact NH2-OE2 2.92Å; E554-K557 PolarHBondContact O-N 3.27Å; E554-W558 PolarHBondContact O-N 3.14Å
555	E	72.3	Confident	65	Low	98 Å²	98	85.5 Å²	85.5	46%	0.458	46%	0.461	S	S	.	.	H	α-helix	trans	-70.1	-38.8	176.7	-174.9	159.6	-132.7	0	0	112.6	K229 S553 K557 W558 L559	K229-E555 IonicContact NZ-OE1 2.95Å; K229-E555 PolarHBondContact NZ-OE1 3.06Å; S553-E555 PolarHBondContact O-N 2.7Å; S553-E555 VanDerWaalsContact O-N 3.08Å; S553-E555 PolarHBondContact OG-N 2.97Å; E555-K557 VanDerWaalsContact C-N 3.33Å; E555-K557 PolarHBondContact O-N 3.12Å; E555-W558 PolarHBondContact O-N 2.95Å; E555-W558 VanDerWaalsContact O-N 3.15Å; E555-L559 HydrophobicContact CG-CD1 3.76Å; E555-L559 WeakPolarHBondContact O-CD1 3.32Å; E555-L559 PolarHBondContact O-N 2.91Å
556	A	71.6	Confident	65.5	Low	52 Å²	52	90.1 Å²	90.1	43%	0.43	47%	0.466	S	S	.	.	H	α-helix	trans	-64.2	-39.9	173.9	0	0	0	0	0	111.4	S553 W558 L559 R560	S553-A556 WeakPolarHBondContact O-CA 3.35Å; S553-A556 WeakPolarHBondContact O-CB 3.5Å; S553-A556 PolarHBondContact O-N 3.47Å; A556-W558 VanDerWaalsContact C-N 3.3Å; A556-W558 PolarHBondContact O-N 3.33Å; A556-L559 PolarHBondContact O-N 3.32Å; A556-R560 PolarHBondContact O-N 3.08Å
557	K	64.9	Low	66	Low	43 Å²	43	88.1 Å²	88.1	19%	0.187	45%	0.446	C	S	.	.	H	α-helix	trans	-62.3	-37.5	172.9	-49.4	-168.8	-175.7	-127.1	0	111.6	E548 T552 S553 E554 E555 R561	E548-K557 VanDerWaalsContact CD-NZ 3.34Å; E548-K557 WeakPolarHBondContact OE1-CD 3.23Å; E548-K557 WeakPolarHBondContact OE1-CG 3.45Å; E548-K557 IonicContact OE1-NZ 3.92Å; E548-K557 WeakPolarHBondContact OE2-CD 3.13Å; E548-K557 IonicContact OE2-NZ 2.69Å; E548-K557 PolarHBondContact OE2-NZ 3.27Å; T552-K557 WeakPolarHBondContact O-CE 3.31Å; T552-K557 WeakPolarHBondContact OG1-CE 3.49Å; T552-K557 PolarHBondContact OG1-NZ 2.91Å; S553-K557 WeakPolarHBondContact O-CG 3.23Å; S553-K557 PolarHBondContact O-N 3.15Å; S553-K557 VanDerWaalsContact O-N 3.08Å; E554-K557 PolarHBondContact O-N 3.27Å; E555-K557 VanDerWaalsContact C-N 3.33Å; E555-K557 PolarHBondContact O-N 3.12Å; K557-R561 VanDerWaalsContact CB-NH2 3.26Å; K557-R561 WeakPolarHBondContact O-CB 3.41Å; K557-R561 VanDerWaalsContact O-CG 3.29Å; K557-R561 WeakPolarHBondContact O-CG 3.46Å; K557-R561 PolarHBondContact O-N 3.36Å; K557-R561 PolarHBondContact O-NE 3.5Å
558	W	64.3	Low	66.4	Low	58 Å²	58	82.9 Å²	82.9	22%	0.22	42%	0.418	C	S	.	.	H	α-helix	trans	-70.2	-43.7	175.6	-179.2	91.4	0	0	0	112.7	E554 E555 A556 R560 R561 K562	E554-W558 PolarHBondContact O-N 3.14Å; E555-W558 PolarHBondContact O-N 2.95Å; E555-W558 VanDerWaalsContact O-N 3.15Å; A556-W558 VanDerWaalsContact C-N 3.3Å; A556-W558 PolarHBondContact O-N 3.33Å; W558-R560 VanDerWaalsContact C-N 3.34Å; W558-R560 PolarHBondContact O-N 3.17Å; W558-R561 PolarHBondContact O-N 3.4Å; W558-K562 HydrophobicContact CH2-CD 3.72Å; W558-K562 HydrophobicContact CZ2-CD 4.16Å; W558-K562 HydrophobicContact CZ3-CD 3.94Å; W558-K562 WeakPolarHBondContact O-CB 3.37Å; W558-K562 PolarHBondContact O-N 3Å
559	L	74.6	Confident	66.6	Low	99 Å²	99	82.4 Å²	82.4	52%	0.518	42%	0.419	S	S	.	.	H	α-helix	trans	-56.6	-48.2	173.5	-94.5	90.5	0	0	0	110.8	E555 A556 R561 K562 E563	E555-L559 HydrophobicContact CG-CD1 3.76Å; E555-L559 WeakPolarHBondContact O-CD1 3.32Å; E555-L559 PolarHBondContact O-N 2.91Å; A556-L559 PolarHBondContact O-N 3.32Å; L559-R561 PolarHBondContact O-N 3.42Å; L559-K562 WeakPolarHBondContact O-CB 3.33Å; L559-K562 PolarHBondContact O-N 3.22Å; L559-K562 VanDerWaalsContact O-N 3.17Å; L559-E563 WeakPolarHBondContact O-CB 3.23Å; L559-E563 PolarHBondContact O-N 3.47Å
560	R	70.4	Confident	67	Low	119 Å²	119	85.5 Å²	85.5	45%	0.449	42%	0.422	S	S	.	.	H	α-helix	trans	-66.6	-36	-179.2	-167.6	57.5	169.6	176.7	-1.3	112.7	A556 W558 E563 L564	A556-R560 PolarHBondContact O-N 3.08Å; W558-R560 VanDerWaalsContact C-N 3.34Å; W558-R560 PolarHBondContact O-N 3.17Å; R560-E563 WeakPolarHBondContact CD-OE2 3.3Å; R560-E563 IonicContact CZ-OE2 2.69Å; R560-E563 IonicContact NE-OE2 2.67Å; R560-E563 IonicContact NH1-OE2 3.67Å; R560-E563 PolarHBondContact NH1-OE2 2.88Å; R560-L564 HydrophobicContact CG-CD1 4.26Å; R560-L564 WeakPolarHBondContact O-CB 3.5Å; R560-L564 WeakPolarHBondContact O-CG 3.45Å; R560-L564 PolarHBondContact O-N 3.46Å
561	R	65.8	Low	67	Low	116 Å²	116	80.8 Å²	80.8	44%	0.438	39%	0.391	S	S	.	.	H	α-helix	trans	-60.7	-46.3	169.2	-79.8	176.3	-120	147.2	-4.6	112.2	I544 K557 W558 L559 E563 L564 L565	I544-R561 HydrophobicContact CD1-CG 3.65Å; K557-R561 VanDerWaalsContact CB-NH2 3.26Å; K557-R561 WeakPolarHBondContact O-CB 3.41Å; K557-R561 VanDerWaalsContact O-CG 3.29Å; K557-R561 WeakPolarHBondContact O-CG 3.46Å; K557-R561 PolarHBondContact O-N 3.36Å; K557-R561 PolarHBondContact O-NE 3.5Å; W558-R561 PolarHBondContact O-N 3.4Å; L559-R561 PolarHBondContact O-N 3.42Å; R561-E563 VanDerWaalsContact C-N 3.34Å; R561-E563 PolarHBondContact O-N 3.03Å; R561-L564 PolarHBondContact O-N 2.94Å; R561-L565 WeakPolarHBondContact O-CB 3.41Å; R561-L565 PolarHBondContact O-N 2.83Å
562	K	69.5	Low	67	Low	127 Å²	127	75.1 Å²	75.1	55%	0.552	36%	0.362	S	S	*	.	H	α-helix	trans	-62.2	-40.9	180	-177.5	175.4	179.5	175.7	0	111.8	W558 L559 K566	W558-K562 HydrophobicContact CH2-CD 3.72Å; W558-K562 HydrophobicContact CZ2-CD 4.16Å; W558-K562 HydrophobicContact CZ3-CD 3.94Å; W558-K562 WeakPolarHBondContact O-CB 3.37Å; W558-K562 PolarHBondContact O-N 3Å; L559-K562 WeakPolarHBondContact O-CB 3.33Å; L559-K562 PolarHBondContact O-N 3.22Å; L559-K562 VanDerWaalsContact O-N 3.17Å; K562-K566 WeakPolarHBondContact O-CB 3.5Å; K562-K566 PolarHBondContact O-N 3.24Å
563	E	73	Confident	66.5	Low	84 Å²	84	76 Å²	76	39%	0.393	37%	0.367	S	S	.	.	H	α-helix	trans	-66.9	-49.3	176.9	-174.4	173	-119.1	0	0	112.5	L559 R560 R561 L565 K566 E567	L559-E563 WeakPolarHBondContact O-CB 3.23Å; L559-E563 PolarHBondContact O-N 3.47Å; R560-E563 WeakPolarHBondContact CD-OE2 3.3Å; R560-E563 IonicContact CZ-OE2 2.69Å; R560-E563 IonicContact NE-OE2 2.67Å; R560-E563 IonicContact NH1-OE2 3.67Å; R560-E563 PolarHBondContact NH1-OE2 2.88Å; R561-E563 VanDerWaalsContact C-N 3.34Å; R561-E563 PolarHBondContact O-N 3.03Å; E563-L565 VanDerWaalsContact C-N 3.3Å; E563-L565 PolarHBondContact O-N 2.88Å; E563-K566 WeakPolarHBondContact O-CB 3.29Å; E563-K566 PolarHBondContact O-N 3.47Å; E563-K566 VanDerWaalsContact O-N 3.15Å; E563-E567 PolarHBondContact O-N 2.94Å
564	L	70.1	Confident	65.8	Low	28 Å²	28	77.2 Å²	77.2	15%	0.147	37%	0.367	C	S	.	.	H	α-helix	trans	-60.5	-38.9	175.6	-74.3	166.9	0	0	0	112.2	I544 R560 R561 E567 L568	I544-L564 HydrophobicContact CD1-CD1 3.79Å; I544-L564 HydrophobicContact CG1-CD1 3.65Å; R560-L564 HydrophobicContact CG-CD1 4.26Å; R560-L564 WeakPolarHBondContact O-CB 3.5Å; R560-L564 WeakPolarHBondContact O-CG 3.45Å; R560-L564 PolarHBondContact O-N 3.46Å; R561-L564 PolarHBondContact O-N 2.94Å; L564-E567 PolarHBondContact O-N 2.81Å; L564-L568 WeakPolarHBondContact O-CB 3.38Å; L564-L568 WeakPolarHBondContact O-CG 3.37Å; L564-L568 PolarHBondContact O-N 3.44Å
565	L	64.3	Low	64.8	Low	96 Å²	96	80.3 Å²	80.3	50%	0.503	38%	0.375	S	S	.	.	H	α-helix	trans	-67.9	-35.4	176.4	-173.1	62.7	0	0	0	112.4	W533 R561 E563 T569	W533-L565 HydrophobicContact CH2-CD1 4.38Å; W533-L565 HydrophobicContact CZ3-CD1 3.92Å; R561-L565 WeakPolarHBondContact O-CB 3.41Å; R561-L565 PolarHBondContact O-N 2.83Å; E563-L565 VanDerWaalsContact C-N 3.3Å; E563-L565 PolarHBondContact O-N 2.88Å; L565-T569 WeakPolarHBondContact O-CB 3.45Å; L565-T569 PolarHBondContact O-N 3.21Å; L565-T569 PolarHBondContact O-OG1 3.46Å
566	K	70	Confident	63.7	Low	150 Å²	150	76.6 Å²	76.6	65%	0.652	36%	0.359	S	S	*	.	H	α-helix	trans	-63.3	-43.8	173.4	-173.6	-174.6	176.6	-170	0	111	K562 E563 T569 R570	K562-K566 WeakPolarHBondContact O-CB 3.5Å; K562-K566 PolarHBondContact O-N 3.24Å; E563-K566 WeakPolarHBondContact O-CB 3.29Å; E563-K566 PolarHBondContact O-N 3.47Å; E563-K566 VanDerWaalsContact O-N 3.15Å; K566-T569 WeakPolarHBondContact O-CB 3.5Å; K566-T569 PolarHBondContact O-N 2.95Å; K566-R570 WeakPolarHBondContact O-CB 3.31Å; K566-R570 PolarHBondContact O-N 3.44Å
567	E	71.1	Confident	62.7	Low	51 Å²	51	84.2 Å²	84.2	24%	0.238	39%	0.386	C	S	.	.	H	α-helix	trans	-72.3	-35.5	178.4	-72.7	-58.6	111.2	0	0	113.4	E563 L564 T569 R570 T571	E563-E567 PolarHBondContact O-N 2.94Å; L564-E567 PolarHBondContact O-N 2.81Å; E567-T569 VanDerWaalsContact C-N 3.3Å; E567-T569 PolarHBondContact O-N 3.27Å; E567-R570 VanDerWaalsContact CD-NE 3.35Å; E567-R570 PolarHBondContact O-N 3.43Å; E567-R570 IonicContact OE1-NE 3.24Å; E567-R570 PolarHBondContact OE1-NE 3.32Å; E567-R570 VanDerWaalsContact OE1-NE 3.1Å; E567-R570 IonicContact OE2-CZ 3.3Å; E567-R570 IonicContact OE2-NE 2.7Å; E567-R570 PolarHBondContact OE2-NE 3.31Å; E567-R570 IonicContact OE2-NH2 2.94Å; E567-R570 PolarHBondContact OE2-NH2 3.45Å; E567-T571 WeakPolarHBondContact O-CB 3.3Å; E567-T571 WeakPolarHBondContact O-CG2 3.49Å; E567-T571 PolarHBondContact O-N 2.9Å; E567-T571 PolarHBondContact O-OG1 3.33Å
568	L	61.3	Low	62.1	Low	27 Å²	27	85.7 Å²	85.7	14%	0.141	41%	0.414	C	S	.	.	H	α-helix	trans	-61.2	-40	168.1	-77.6	173.2	0	0	0	111.6	W533 Q536 L564 T571 S572	W533-L568 HydrophobicContact CH2-CB 4.3Å; Q536-L568 HydrophobicContact CB-CD2 4.29Å; L564-L568 WeakPolarHBondContact O-CB 3.38Å; L564-L568 WeakPolarHBondContact O-CG 3.37Å; L564-L568 PolarHBondContact O-N 3.44Å; L568-T571 WeakPolarHBondContact CA-OG1 3.26Å; L568-T571 PolarHBondContact O-OG1 2.81Å; L568-S572 WeakPolarHBondContact O-CB 3.48Å; L568-S572 PolarHBondContact O-N 3.23Å
569	T	58.2	Low	61.5	Low	46 Å²	46	85.3 Å²	85.3	28%	0.282	42%	0.415	S	S	.	.	H	α-helix	trans	-64.4	-49.9	176	-55	0	0	0	0	110.4	L565 K566 E567 T571 S572 T573 F584	L565-T569 WeakPolarHBondContact O-CB 3.45Å; L565-T569 PolarHBondContact O-N 3.21Å; L565-T569 PolarHBondContact O-OG1 3.46Å; K566-T569 WeakPolarHBondContact O-CB 3.5Å; K566-T569 PolarHBondContact O-N 2.95Å; E567-T569 VanDerWaalsContact C-N 3.3Å; E567-T569 PolarHBondContact O-N 3.27Å; T569-T571 PolarHBondContact O-N 3.25Å; T569-S572 PolarHBondContact O-N 3Å; T569-T573 VanDerWaalsContact O-CG2 3.25Å; T569-T573 WeakPolarHBondContact O-CG2 3.5Å; T569-T573 PolarHBondContact O-N 3.38Å; T569-F584 HydrophobicContact CG2-CD1 3.89Å; T569-F584 HydrophobicContact CG2-CE1 3.87Å
570	R	65.3	Low	60.6	Low	126 Å²	126	84 Å²	84	48%	0.475	41%	0.411	S	S	.	.	H	α-helix	trans	-63.3	-36.5	179.5	-170.3	-170.9	67.5	75.3	-0.5	113.6	K566 E567 T573	K566-R570 WeakPolarHBondContact O-CB 3.31Å; K566-R570 PolarHBondContact O-N 3.44Å; E567-R570 VanDerWaalsContact CD-NE 3.35Å; E567-R570 PolarHBondContact O-N 3.43Å; E567-R570 IonicContact OE1-NE 3.24Å; E567-R570 PolarHBondContact OE1-NE 3.32Å; E567-R570 VanDerWaalsContact OE1-NE 3.1Å; E567-R570 IonicContact OE2-CZ 3.3Å; E567-R570 IonicContact OE2-NE 2.7Å; E567-R570 PolarHBondContact OE2-NE 3.31Å; E567-R570 IonicContact OE2-NH2 2.94Å; E567-R570 PolarHBondContact OE2-NH2 3.45Å; R570-T573 PolarHBondContact O-OG1 3.47Å
571	T	62.2	Low	59.7	Low	20 Å²	20	86 Å²	86	12%	0.123	43%	0.426	C	S	.	.	H	α-helix	trans	-77.8	-34.1	176.4	48.2	0	0	0	0	111.6	L446 E567 L568 T569 T573	L446-T571 HydrophobicContact CD2-CG2 4.18Å; E567-T571 WeakPolarHBondContact O-CB 3.3Å; E567-T571 WeakPolarHBondContact O-CG2 3.49Å; E567-T571 PolarHBondContact O-N 2.9Å; E567-T571 PolarHBondContact O-OG1 3.33Å; L568-T571 WeakPolarHBondContact CA-OG1 3.26Å; L568-T571 PolarHBondContact O-OG1 2.81Å; T569-T571 PolarHBondContact O-N 3.25Å; T571-T573 VanDerWaalsContact C-N 3.33Å; T571-T573 PolarHBondContact O-N 2.93Å
572	S	57.8	Low	58.8	Low	19 Å²	19	86.1 Å²	86.1	13%	0.133	43%	0.431	C	S	.	.	H	α-helix	trans	-63.9	-36	171.2	-167.8	0	0	0	0	112.3	W533 L568 T569 I574 Y575 T576	W533-S572 PolarHBondContact NE1-OG 3.02Å; L568-S572 WeakPolarHBondContact O-CB 3.48Å; L568-S572 PolarHBondContact O-N 3.23Å; T569-S572 PolarHBondContact O-N 3Å; S572-I574 PolarHBondContact O-N 3.17Å; S572-I574 VanDerWaalsContact O-N 3.08Å; S572-Y575 PolarHBondContact O-N 3.37Å; S572-T576 WeakPolarHBondContact O-CG2 3.45Å
573	T	52.5	Low	57.7	Low	62 Å²	62	82.6 Å²	82.6	38%	0.38	42%	0.417	S	S	.	.	G	3₁₀ helix	trans	-65.8	-14.3	-173.5	54.7	0	0	0	0	114.9	T569 R570 T571 Y575 T576 F584	T569-T573 VanDerWaalsContact O-CG2 3.25Å; T569-T573 WeakPolarHBondContact O-CG2 3.5Å; T569-T573 PolarHBondContact O-N 3.38Å; R570-T573 PolarHBondContact O-OG1 3.47Å; T571-T573 VanDerWaalsContact C-N 3.33Å; T571-T573 PolarHBondContact O-N 2.93Å; T573-Y575 PolarHBondContact O-N 3.3Å; T573-Y575 VanDerWaalsContact O-N 3.13Å; T573-T576 VanDerWaalsContact CA-OG1 3.23Å; T573-T576 WeakPolarHBondContact CA-OG1 3.37Å; T573-T576 PolarHBondContact O-N 3.34Å; T573-T576 VanDerWaalsContact O-N 3.14Å; T573-T576 PolarHBondContact O-OG1 2.73Å; T573-F584 HydrophobicContact CG2-CE1 4.09Å; T573-F584 HydrophobicContact CG2-CZ 3.74Å
574	I	52.9	Low	56.3	Low	101 Å²	101	82 Å²	82	52%	0.518	41%	0.414	S	S	.	.	G	3₁₀ helix	trans	-59.9	-22.5	175.2	-58.6	173.8	0	0	0	111.8	S572	S572-I574 PolarHBondContact O-N 3.17Å; S572-I574 VanDerWaalsContact O-N 3.08Å
575	Y	49	Very low	55.2	Low	165 Å²	165	85.8 Å²	85.8	65%	0.647	43%	0.432	S	S	*	.	G	3₁₀ helix	trans	-111.4	18.8	179.2	-59.6	-79.2	0	0	0	113.8	S572 T573	S572-Y575 PolarHBondContact O-N 3.37Å; T573-Y575 PolarHBondContact O-N 3.3Å; T573-Y575 VanDerWaalsContact O-N 3.13Å
576	T	48.5	Very low	54.7	Low	20 Å²	20	84.9 Å²	84.9	12%	0.123	43%	0.427	C	S	.	.			trans	-130.8	37.9	-165.4	76.5	0	0	0	0	115.5	S572 T573 G578 M579	S572-T576 WeakPolarHBondContact O-CG2 3.45Å; T573-T576 VanDerWaalsContact CA-OG1 3.23Å; T573-T576 WeakPolarHBondContact CA-OG1 3.37Å; T573-T576 PolarHBondContact O-N 3.34Å; T573-T576 VanDerWaalsContact O-N 3.14Å; T573-T576 PolarHBondContact O-OG1 2.73Å; T576-G578 PolarHBondContact O-N 2.98Å; T576-M579 HydrophobicContact CG2-CE 3.85Å; T576-M579 HydrophobicContact CG2-CG 3.98Å; T576-M579 HydrophobicContact CG2-SD 3.41Å; T576-M579 WeakPolarHBondContact CG2-SD 3.3Å; T576-M579 PolarHBondContact O-N 3Å; T576-M579 VanDerWaalsContact O-N 3.13Å
577	E	50.6	Low	53.7	Low	211 Å²	211	86.5 Å²	86.5	99%	0.986	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	102.8	165.1	-171.4	172.5	-157.6	0	0	109
578	G	52	Low	52.6	Low	75 Å²	75	88.4 Å²	88.4	77%	0.773	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	106.5	5.4	-176.7	0	0	0	0	0	117.4	T576	T576-G578 PolarHBondContact O-N 2.98Å
579	M	52	Low	52	Low	49 Å²	49	90.4 Å²	90.4	24%	0.241	45%	0.453	C	S	.	.			trans	-78.6	127.9	168.3	-73.1	-164.4	-179.1	0	0	111.8	L529 T576 M583 F584	L529-M579 HydrophobicContact CD1-CE 4.32Å; L529-M579 HydrophobicContact CD2-SD 4.47Å; T576-M579 HydrophobicContact CG2-CE 3.85Å; T576-M579 HydrophobicContact CG2-CG 3.98Å; T576-M579 HydrophobicContact CG2-SD 3.41Å; T576-M579 WeakPolarHBondContact CG2-SD 3.3Å; T576-M579 PolarHBondContact O-N 3Å; T576-M579 VanDerWaalsContact O-N 3.13Å; M579-M583 HydrophobicContact CB-CB 4.28Å; M579-M583 HydrophobicContact CB-SD 3.94Å; M579-M583 HydrophobicContact CE-CE 3.74Å; M579-M583 HydrophobicContact CG-CB 4.46Å; M579-M583 HydrophobicContact CG-CE 3.72Å; M579-M583 HydrophobicContact CG-SD 3.67Å; M579-M583 HydrophobicContact SD-CB 4.34Å; M579-M583 HydrophobicContact SD-CE 3.82Å; M579-M583 HydrophobicContact SD-SD 4.39Å; M579-F584 HydrophobicContact CB-CE2 4.03Å; M579-F584 HydrophobicContact CB-CZ 4.41Å
580	T	55.9	Low	51.4	Low	71 Å²	71	92.1 Å²	92.1	44%	0.436	46%	0.458	S	S	.	.			trans	-77.5	161.9	174.3	60.9	0	0	0	0	111.5	E582 M583 F584	T580-E582 PolarHBondContact O-N 2.88Å; T580-E582 VanDerWaalsContact O-N 3.13Å; T580-M583 WeakPolarHBondContact O-CB 3.41Å; T580-M583 PolarHBondContact O-N 3.08Å; T580-F584 WeakPolarHBondContact O-CD2 3.12Å
581	Q	51.4	Low	50.8	Low	162 Å²	162	89.2 Å²	89.2	76%	0.757	45%	0.449	S	S	*	.	H	α-helix	trans	-56.6	-27.5	174.3	-165.1	170.7	4.1	0	0	112.5	M583 F584 M585	Q581-M583 VanDerWaalsContact C-N 3.31Å; Q581-M583 PolarHBondContact O-N 3.38Å; Q581-F584 PolarHBondContact O-N 2.86Å; Q581-M585 PolarHBondContact O-N 2.96Å
582	E	47.2	Very low	50.3	Low	118 Å²	118	91.9 Å²	91.9	55%	0.551	47%	0.465	S	S	*	.	H	α-helix	trans	-62.9	-32.3	173.1	-52.4	-173.9	103.9	0	0	113.6	T580 F584 M585 R587	T580-E582 PolarHBondContact O-N 2.88Å; T580-E582 VanDerWaalsContact O-N 3.13Å; E582-F584 VanDerWaalsContact C-N 3.27Å; E582-F584 PolarHBondContact O-N 3.19Å; E582-M585 PolarHBondContact O-N 2.98Å; E582-R587 IonicContact OE1-NH2 2.7Å
583	M	46.8	Very low	50.7	Low	53 Å²	53	94.4 Å²	94.4	26%	0.261	48%	0.475	S	S	.	.	H	α-helix	trans	-73.7	-20.8	179.7	-64.7	-175.5	66.7	0	0	112.8	P525 M579 T580 Q581	P525-M583 HydrophobicContact CB-CE 4.47Å; M579-M583 HydrophobicContact CB-CB 4.28Å; M579-M583 HydrophobicContact CB-SD 3.94Å; M579-M583 HydrophobicContact CE-CE 3.74Å; M579-M583 HydrophobicContact CG-CB 4.46Å; M579-M583 HydrophobicContact CG-CE 3.72Å; M579-M583 HydrophobicContact CG-SD 3.67Å; M579-M583 HydrophobicContact SD-CB 4.34Å; M579-M583 HydrophobicContact SD-CE 3.82Å; M579-M583 HydrophobicContact SD-SD 4.39Å; T580-M583 WeakPolarHBondContact O-CB 3.41Å; T580-M583 PolarHBondContact O-N 3.08Å; Q581-M583 VanDerWaalsContact C-N 3.31Å; Q581-M583 PolarHBondContact O-N 3.38Å
584	F	43.7	Very low	51.5	Low	72 Å²	72	95 Å²	95	32%	0.316	48%	0.478	S	S	.	.	H	α-helix	trans	-85.3	-24.5	170.7	-63.8	-82.2	0	0	0	112.3	T569 T573 M579 T580 Q581 E582 L586	T569-F584 HydrophobicContact CG2-CD1 3.89Å; T569-F584 HydrophobicContact CG2-CE1 3.87Å; T573-F584 HydrophobicContact CG2-CE1 4.09Å; T573-F584 HydrophobicContact CG2-CZ 3.74Å; M579-F584 HydrophobicContact CB-CE2 4.03Å; M579-F584 HydrophobicContact CB-CZ 4.41Å; T580-F584 WeakPolarHBondContact O-CD2 3.12Å; Q581-F584 PolarHBondContact O-N 2.86Å; E582-F584 VanDerWaalsContact C-N 3.27Å; E582-F584 PolarHBondContact O-N 3.19Å; F584-L586 PolarHBondContact O-N 3.27Å; F584-L586 VanDerWaalsContact O-N 3.16Å
585	M	45.9	Very low	52.1	Low	107 Å²	107	93.8 Å²	93.8	53%	0.527	47%	0.47	S	S	.	.	S	Bend	trans	-84.2	84.5	175	-69.8	-164.9	-66.5	0	0	111.5	Q581 E582 R587	Q581-M585 PolarHBondContact O-N 2.96Å; E582-M585 PolarHBondContact O-N 2.98Å; M585-R587 VanDerWaalsContact C-N 3.28Å; M585-R587 PolarHBondContact O-N 2.98Å
586	L	54.2	Low	53	Low	77 Å²	77	90.2 Å²	90.2	40%	0.403	46%	0.459	S	S	.	.			trans	-69.7	79.9	179.2	-150.4	103.6	0	0	0	112.2	L530 F584 F588	L530-L586 HydrophobicContact CD2-CD1 3.74Å; L530-L586 HydrophobicContact CD2-CD2 3.98Å; L530-L586 HydrophobicContact CD2-CG 4.5Å; L530-L586 HydrophobicContact CG-CD1 4.31Å; F584-L586 PolarHBondContact O-N 3.27Å; F584-L586 VanDerWaalsContact O-N 3.16Å; L586-F588 HydrophobicContact CD2-CD2 4.46Å; L586-F588 HydrophobicContact CD2-CE1 4.08Å; L586-F588 HydrophobicContact CD2-CE2 3.69Å; L586-F588 HydrophobicContact CD2-CZ 3.47Å; L586-F588 VanDerWaalsContact CD2-CZ 3.47Å; L586-F588 PolarHBondContact O-N 2.78Å; L586-F588 VanDerWaalsContact O-N 3.08Å
587	R	49.1	Very low	53.8	Low	185 Å²	185	91.5 Å²	91.5	70%	0.698	47%	0.465	S	S	*	.			trans	-71.4	96.3	177.9	-73.3	-173.6	-78.2	176.5	-9.9	111.1	E582 M585 S589	E582-R587 IonicContact OE1-NH2 2.7Å; M585-R587 VanDerWaalsContact C-N 3.28Å; M585-R587 PolarHBondContact O-N 2.98Å; R587-S589 PolarHBondContact O-N 3.24Å
588	F	48.8	Very low	54.8	Low	90 Å²	90	89.7 Å²	89.7	40%	0.395	46%	0.457	S	S	.	.			trans	-65.7	121.4	157.2	-61.7	-78.4	0	0	0	108.3	L514 L586 E590 F591	L514-F588 HydrophobicContact CD2-CE1 4.47Å; L586-F588 HydrophobicContact CD2-CD2 4.46Å; L586-F588 HydrophobicContact CD2-CE1 4.08Å; L586-F588 HydrophobicContact CD2-CE2 3.69Å; L586-F588 HydrophobicContact CD2-CZ 3.47Å; L586-F588 VanDerWaalsContact CD2-CZ 3.47Å; L586-F588 PolarHBondContact O-N 2.78Å; L586-F588 VanDerWaalsContact O-N 3.08Å; F588-E590 VanDerWaalsContact C-N 3.26Å; F588-F591 HydrophobicContact CB-CE2 4.22Å; F588-F591 HydrophobicContact CB-CZ 4.44Å; F588-F591 VanDerWaalsContact O-CE2 3.23Å; F588-F591 WeakPolarHBondContact O-CE2 3.2Å
589	S	47	Very low	55.6	Low	69 Å²	69	90.9 Å²	90.9	48%	0.483	45%	0.45	S	S	.	.	S	Bend	trans	-77.4	-18	168.8	52.3	0	0	0	0	112.3	N218 T219 R587	N218-S589 PolarHBondContact OD1-O 3.27Å; T219-S589 PolarHBondContact N-O 2.96Å; T219-S589 PolarHBondContact OG1-O 3.36Å; R587-S589 PolarHBondContact O-N 3.24Å
590	E	47.1	Very low	56.2	Low	83 Å²	83	93.9 Å²	93.9	39%	0.388	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	118.5	-174.3	-53.6	-173.4	153.5	0	0	109.3	K216 L217 F588	K216-E590 WeakPolarHBondContact CE-OE1 3.17Å; K216-E590 WeakPolarHBondContact CE-OE2 3.22Å; K216-E590 IonicContact NZ-OE1 2.7Å; K216-E590 PolarHBondContact NZ-OE1 3.28Å; K216-E590 IonicContact NZ-OE2 3.43Å; K216-E590 PolarHBondContact NZ-OE2 3.5Å; L217-E590 CarbonylContact O-C 3.56Å; L217-E590 WeakPolarHBondContact O-CA 3.38Å; F588-E590 VanDerWaalsContact C-N 3.26Å
591	F	51.3	Low	56.8	Low	64 Å²	64	95.3 Å²	95.3	28%	0.281	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	147.1	174.6	-73.6	-106.6	0	0	0	109.6	L217 T219 F588	L217-F591 HydrophobicContact CB-CB 4.46Å; L217-F591 PolarHBondContact N-O 3.22Å; L217-F591 PolarHBondContact O-N 2.86Å; T219-F591 HydrophobicContact CG2-CD2 3.38Å; T219-F591 HydrophobicContact CG2-CE2 3.78Å; T219-F591 HydrophobicContact CG2-CG 4.22Å; T219-F591 WeakPolarHBondContact OG1-CE2 3.49Å; F588-F591 HydrophobicContact CB-CE2 4.22Å; F588-F591 HydrophobicContact CB-CZ 4.44Å; F588-F591 VanDerWaalsContact O-CE2 3.23Å; F588-F591 WeakPolarHBondContact O-CE2 3.2Å
592	V	52.3	Low	57.8	Low	76 Å²	76	97.2 Å²	97.2	46%	0.461	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	106.9	175.3	174.9	0	0	0	0	108.6	I214 I510 V594	I214-V592 HydrophobicContact CG2-CG1 3.67Å; I510-V592 HydrophobicContact CD1-CG1 4.26Å; V592-V594 HydrophobicContact CG1-CG2 3.9Å
593	E	67.4	Low	59	Low	73 Å²	73	96.4 Å²	96.4	34%	0.341	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	127.2	168.7	-169	-167	-171.7	0	0	108.9	I214 R215 L217 Q595	I214-E593 WeakPolarHBondContact CA-O 3.24Å; R215-E593 HydrophobicContact CB-CB 4.29Å; R215-E593 PolarHBondContact N-O 2.82Å; R215-E593 PolarHBondContact O-N 3.23Å; L217-E593 HydrophobicContact CD1-CB 4.07Å; E593-Q595 VanDerWaalsContact CD-NE2 3.28Å; E593-Q595 HydrophobicContact CG-CG 4.08Å; E593-Q595 WeakPolarHBondContact OE1-CG 3.34Å; E593-Q595 PolarHBondContact OE1-NE2 2.86Å; E593-Q595 PolarHBondContact OE2-NE2 2.91Å
594	V	68.8	Low	60.2	Low	75 Å²	75	97 Å²	97	46%	0.455	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	95.5	179	-175	0	0	0	0	108.8	R212 F213 V592	R212-V594 HydrophobicContact CB-CG1 3.94Å; R212-V594 HydrophobicContact CG-CG1 4.27Å; F213-V594 WeakPolarHBondContact O-CA 3.37Å; V592-V594 HydrophobicContact CG1-CG2 3.9Å
595	Q	65.3	Low	61.9	Low	75 Å²	75	99.4 Å²	99.4	35%	0.35	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	130.4	177	-65.3	-175.5	-18.3	0	0	109.8	R212 F213 E593	R212-Q595 CarbonylContact C-O 3.51Å; R212-Q595 VanDerWaalsContact CA-O 3.25Å; R212-Q595 WeakPolarHBondContact CA-O 3.43Å; F213-Q595 PolarHBondContact N-O 3.11Å; F213-Q595 PolarHBondContact O-N 3.31Å; E593-Q595 VanDerWaalsContact CD-NE2 3.28Å; E593-Q595 HydrophobicContact CG-CG 4.08Å; E593-Q595 WeakPolarHBondContact OE1-CG 3.34Å; E593-Q595 PolarHBondContact OE1-NE2 2.86Å; E593-Q595 PolarHBondContact OE2-NE2 2.91Å
596	E	68	Low	63.8	Low	90 Å²	90	100 Å²	100	42%	0.421	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	134.1	167.8	-57.5	-145.4	129.4	0	0	109.8	K210 R212	K210-E596 WeakPolarHBondContact CD-OE2 3.43Å; K210-E596 WeakPolarHBondContact CE-OE2 3.12Å; K210-E596 IonicContact NZ-OE2 2.69Å; K210-E596 PolarHBondContact NZ-OE2 3.04Å; R212-E596 HydrophobicContact CG-CG 4.3Å; R212-E596 IonicContact CZ-OE1 2.83Å; R212-E596 VanDerWaalsContact CZ-OE1 3.24Å; R212-E596 IonicContact NE-OE1 2.67Å; R212-E596 PolarHBondContact NE-OE1 3.11Å; R212-E596 IonicContact NH2-OE1 3.1Å; R212-E596 PolarHBondContact NH2-OE1 3.29Å
597	L	65.7	Low	65	Low	46 Å²	46	101 Å²	101	24%	0.241	53%	0.529	C	S	.	.	P	Polyproline II helix	trans	-87.4	143.9	177.5	-91.1	150.9	0	0	0	112	M211 F213	M211-L597 HydrophobicContact CB-CB 4.3Å; M211-L597 HydrophobicContact CB-CD1 4.03Å; M211-L597 HydrophobicContact CE-CD1 3.6Å; M211-L597 HydrophobicContact CG-CD1 3.59Å; M211-L597 WeakPolarHBondContact O-CB 3.4Å; M211-L597 PolarHBondContact O-N 3.15Å; M211-L597 HydrophobicContact SD-CD1 4.17Å; F213-L597 HydrophobicContact CB-CD1 4.28Å; F213-L597 HydrophobicContact CD1-CD1 3.72Å; F213-L597 HydrophobicContact CD2-CD1 3.56Å; F213-L597 HydrophobicContact CD2-CD2 3.75Å; F213-L597 HydrophobicContact CD2-CG 3.78Å; F213-L597 HydrophobicContact CE1-CD1 3.88Å; F213-L597 HydrophobicContact CE2-CD1 3.74Å; F213-L597 HydrophobicContact CE2-CD2 3.61Å; F213-L597 HydrophobicContact CE2-CG 4.06Å; F213-L597 HydrophobicContact CG-CD1 3.54Å; F213-L597 HydrophobicContact CG-CG 4.15Å; F213-L597 HydrophobicContact CZ-CD1 3.89Å; F213-L597 HydrophobicContact CZ-CD2 4.32Å
598	E	71.8	Confident	66.7	Low	174 Å²	174	99.8 Å²	99.8	81%	0.813	52%	0.524	S	S	*	.	P	Polyproline II helix	trans	-60.9	134.9	161.2	-167.6	165.6	-154.2	0	0	109.5	C600	E598-C600 VanDerWaalsContact C-N 3.3Å; E598-C600 PolarHBondContact O-N 3.44Å
599	P	67.6	Low	68.5	Low	99 Å²	99	99.9 Å²	99.9	64%	0.643	53%	0.528	S	S	*	.			trans	-74.8	80.1	-174.8	30.5	-35.8	0	0	0	111.7	L205	L205-P599 HydrophobicContact CD2-CB 4.27Å; L205-P599 HydrophobicContact CD2-CG 4.32Å
600	C	64.9	Low	70.5	Confident	113 Å²	113	106.6 Å²	106.6	76%	0.764	54%	0.543	S	S	*	.			trans	-62.8	133.8	170.2	-176.6	0	0	0	0	110.9	E598 R602	E598-C600 VanDerWaalsContact C-N 3.3Å; E598-C600 PolarHBondContact O-N 3.44Å; C600-R602 PolarHBondContact O-N 2.9Å
601	D	68.6	Low	72.6	Confident	101 Å²	101	105.4 Å²	105.4	54%	0.54	54%	0.539	S	S	.	.			trans	-69.6	114.5	-177.7	-179	28.1	0	0	0	111.9	S603	D601-S603 VanDerWaalsContact C-N 3.26Å; D601-S603 PolarHBondContact O-N 2.88Å; D601-S603 WeakPolarHBondContact OD1-CB 3.42Å; D601-S603 PolarHBondContact OD1-N 3.41Å; D601-S603 PolarHBondContact OD1-OG 3.31Å; D601-S603 WeakPolarHBondContact OD2-CB 3.27Å
602	R	71.4	Confident	74.6	Confident	201 Å²	201	105.9 Å²	105.9	76%	0.758	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-2.5	175.5	-63.4	179.6	174.5	-175.4	-1.7	113.4	M211 C600	M211-R602 PolarHBondContact SD-NH2 3.49Å; C600-R602 PolarHBondContact O-N 2.9Å
603	S	73.8	Confident	76.5	Confident	101 Å²	101	107 Å²	107	71%	0.706	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.8	-17.4	178.9	-37.5	0	0	0	0	112.4	D601	D601-S603 VanDerWaalsContact C-N 3.26Å; D601-S603 PolarHBondContact O-N 2.88Å; D601-S603 WeakPolarHBondContact OD1-CB 3.42Å; D601-S603 PolarHBondContact OD1-N 3.41Å; D601-S603 PolarHBondContact OD1-OG 3.31Å; D601-S603 WeakPolarHBondContact OD2-CB 3.27Å
604	A	71.7	Confident	77.8	Confident	66 Å²	66	111 Å²	111	55%	0.545	57%	0.574	S	S	.	*	S	Bend	trans	-55.4	143.4	176.5	0	0	0	0	0	112.5	K606	A604-K606 PolarHBondContact O-N 3Å
605	D	79.6	Confident	79.1	Confident	123 Å²	123	110 Å²	110	66%	0.658	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-56.9	128.4	178.3	-85.5	-48.5	0	0	0	111.7
606	K	84.8	Confident	80.5	Confident	118 Å²	118	110.6 Å²	110.6	51%	0.513	57%	0.568	S	S	.	*	P	Polyproline II helix	trans	-53.7	126.7	176.3	-65.2	146	160.6	179.2	0	108.9	A604 W608 I609	A604-K606 PolarHBondContact O-N 3Å; K606-W608 HydrophobicContact CB-CD2 3.74Å; K606-W608 HydrophobicContact CB-CE3 3.89Å; K606-W608 HydrophobicContact CB-CG 4.48Å; K606-W608 HydrophobicContact CB-CH2 3.79Å; K606-W608 HydrophobicContact CB-CZ2 3.63Å; K606-W608 HydrophobicContact CB-CZ3 3.91Å; K606-W608 HydrophobicContact CD-CH2 4.02Å; K606-W608 HydrophobicContact CD-CZ2 3.45Å; K606-W608 VanDerWaalsContact CD-CZ2 3.45Å; K606-W608 HydrophobicContact CG-CH2 3.68Å; K606-W608 HydrophobicContact CG-CZ2 3.6Å; K606-W608 HydrophobicContact CG-CZ3 4.22Å; K606-W608 PolarHBondContact O-N 2.83Å; K606-I609 HydrophobicContact CB-CD1 3.93Å; K606-I609 HydrophobicContact CB-CG1 4.11Å; K606-I609 HydrophobicContact CD-CD1 4.13Å; K606-I609 VanDerWaalsContact O-CB 3.29Å; K606-I609 WeakPolarHBondContact O-CB 3.48Å; K606-I609 WeakPolarHBondContact O-CG1 3.41Å; K606-I609 PolarHBondContact O-N 3.48Å
607	P	81.1	Confident	81.7	Confident	100 Å²	100	107.4 Å²	107.4	65%	0.649	56%	0.556	S	S	*	*	G	3₁₀ helix	trans	-60	-28.4	-167	20	-32.3	0	0	0	113.7	I609 R610	P607-I609 PolarHBondContact O-N 2.95Å; P607-R610 PolarHBondContact O-N 3.28Å; P607-R610 VanDerWaalsContact O-N 3.07Å
608	W	84.2	Confident	83.1	Confident	158 Å²	158	110.2 Å²	110.2	60%	0.598	57%	0.568	S	S	*	*	G	3₁₀ helix	trans	-66.1	-16.8	176.1	64.1	84.1	0	0	0	114.9	K606 R610 L611	K606-W608 HydrophobicContact CB-CD2 3.74Å; K606-W608 HydrophobicContact CB-CE3 3.89Å; K606-W608 HydrophobicContact CB-CG 4.48Å; K606-W608 HydrophobicContact CB-CH2 3.79Å; K606-W608 HydrophobicContact CB-CZ2 3.63Å; K606-W608 HydrophobicContact CB-CZ3 3.91Å; K606-W608 HydrophobicContact CD-CH2 4.02Å; K606-W608 HydrophobicContact CD-CZ2 3.45Å; K606-W608 VanDerWaalsContact CD-CZ2 3.45Å; K606-W608 HydrophobicContact CG-CH2 3.68Å; K606-W608 HydrophobicContact CG-CZ2 3.6Å; K606-W608 HydrophobicContact CG-CZ3 4.22Å; K606-W608 PolarHBondContact O-N 2.83Å; W608-R610 PolarHBondContact O-N 3.35Å; W608-L611 HydrophobicContact CB-CD1 3.96Å; W608-L611 PolarHBondContact O-N 2.92Å
609	I	87.2	Confident	84.1	Confident	92 Å²	92	105.2 Å²	105.2	47%	0.472	55%	0.547	S	S	.	.	G	3₁₀ helix	trans	-65.2	-33.5	171.9	-61.6	174	0	0	0	110.1	K606 P607 L611	K606-I609 HydrophobicContact CB-CD1 3.93Å; K606-I609 HydrophobicContact CB-CG1 4.11Å; K606-I609 HydrophobicContact CD-CD1 4.13Å; K606-I609 VanDerWaalsContact O-CB 3.29Å; K606-I609 WeakPolarHBondContact O-CB 3.48Å; K606-I609 WeakPolarHBondContact O-CG1 3.41Å; K606-I609 PolarHBondContact O-N 3.48Å; P607-I609 PolarHBondContact O-N 2.95Å; I609-L611 VanDerWaalsContact C-N 3.33Å; I609-L611 PolarHBondContact O-N 3.22Å
610	R	88.2	Confident	85.4	Confident	211 Å²	211	105.4 Å²	105.4	80%	0.796	53%	0.534	S	S	*	.	G	3₁₀ helix	trans	-83.2	-2.1	-177.6	-62.1	175.9	60.6	123.3	-0.7	114.3	P607 W608	P607-R610 PolarHBondContact O-N 3.28Å; P607-R610 VanDerWaalsContact O-N 3.07Å; W608-R610 PolarHBondContact O-N 3.35Å
611	L	91.5	Very high	86.9	Confident	58 Å²	58	107.6 Å²	107.6	30%	0.304	53%	0.527	S	S	.	.			trans	-70.4	128.2	177.3	-68.4	169.9	0	0	0	110.7	W608 I609 D615 K616 I619	W608-L611 HydrophobicContact CB-CD1 3.96Å; W608-L611 PolarHBondContact O-N 2.92Å; I609-L611 VanDerWaalsContact C-N 3.33Å; I609-L611 PolarHBondContact O-N 3.22Å; L611-D615 HydrophobicContact CB-CB 4.34Å; L611-D615 HydrophobicContact CD2-CB 3.9Å; L611-K616 HydrophobicContact CB-CG 4.1Å; L611-K616 WeakPolarHBondContact O-CE 3.41Å; L611-K616 PolarHBondContact O-NZ 2.99Å; L611-I619 HydrophobicContact CD1-CD1 3.85Å; L611-I619 HydrophobicContact CD2-CD1 4.23Å
612	T	92.5	Very high	88.1	Confident	74 Å²	74	108.6 Å²	108.6	45%	0.454	53%	0.528	S	S	.	.			trans	-70.4	165.2	174.1	73.1	0	0	0	0	110.9	K614 D615 K616	T612-K614 PolarHBondContact O-N 3.23Å; T612-K614 PolarHBondContact OG1-N 3.44Å; T612-D615 WeakPolarHBondContact CA-OD2 3.46Å; T612-D615 VanDerWaalsContact CB-OD2 3.27Å; T612-D615 WeakPolarHBondContact CB-OD2 3.22Å; T612-D615 WeakPolarHBondContact CG2-OD2 3.49Å; T612-D615 PolarHBondContact N-OD2 3.22Å; T612-D615 PolarHBondContact O-N 3.36Å; T612-D615 PolarHBondContact OG1-N 3.02Å; T612-D615 PolarHBondContact OG1-OD1 3.39Å; T612-D615 PolarHBondContact OG1-OD2 3.43Å; T612-K616 WeakPolarHBondContact O-CG 3.36Å; T612-K616 PolarHBondContact O-N 3.16Å
613	S	93.2	Very high	89.3	Confident	100 Å²	100	102.7 Å²	102.7	70%	0.699	51%	0.511	S	S	*	.	H	α-helix	trans	-59.9	-30.8	174.3	-52.4	0	0	0	0	112.4	A617	S613-A617 WeakPolarHBondContact O-CB 3.35Å; S613-A617 PolarHBondContact O-N 2.87Å
614	K	93.8	Very high	90.3	Very high	157 Å²	157	99 Å²	99	68%	0.683	48%	0.484	S	S	*	.	H	α-helix	trans	-65.6	-47.8	173.6	-176.8	-170.4	173.5	-168	0	111.4	T612 K616 A617 Q618	T612-K614 PolarHBondContact O-N 3.23Å; T612-K614 PolarHBondContact OG1-N 3.44Å; K614-K616 VanDerWaalsContact C-N 3.32Å; K614-K616 PolarHBondContact O-N 3.18Å; K614-A617 PolarHBondContact O-N 3.28Å; K614-Q618 PolarHBondContact O-N 2.88Å
615	D	95.6	Very high	91.3	Very high	52 Å²	52	100.1 Å²	100.1	28%	0.278	48%	0.48	S	S	.	.	H	α-helix	trans	-65.2	-40	-179.5	-44.6	-42	0	0	0	110.5	L611 T612 A617 Q618 I619	L611-D615 HydrophobicContact CB-CB 4.34Å; L611-D615 HydrophobicContact CD2-CB 3.9Å; T612-D615 WeakPolarHBondContact CA-OD2 3.46Å; T612-D615 VanDerWaalsContact CB-OD2 3.27Å; T612-D615 WeakPolarHBondContact CB-OD2 3.22Å; T612-D615 WeakPolarHBondContact CG2-OD2 3.49Å; T612-D615 PolarHBondContact N-OD2 3.22Å; T612-D615 PolarHBondContact O-N 3.36Å; T612-D615 PolarHBondContact OG1-N 3.02Å; T612-D615 PolarHBondContact OG1-OD1 3.39Å; T612-D615 PolarHBondContact OG1-OD2 3.43Å; D615-A617 PolarHBondContact O-N 2.32Å; D615-Q618 PolarHBondContact O-N 3.1Å; D615-I619 WeakPolarHBondContact O-CB 3.28Å; D615-I619 WeakPolarHBondContact O-CD1 3.45Å; D615-I619 VanDerWaalsContact O-CG1 3.27Å; D615-I619 WeakPolarHBondContact O-CG1 3.47Å; D615-I619 PolarHBondContact O-N 2.89Å
616	K	94.6	Very high	92	Very high	89 Å²	89	99.4 Å²	99.4	39%	0.387	47%	0.469	S	S	.	.	H	α-helix	trans	-59.2	-43.4	173.5	-72.1	161.3	176.9	150.2	0	111.8	L611 T612 K614 R620	L611-K616 HydrophobicContact CB-CG 4.1Å; L611-K616 WeakPolarHBondContact O-CE 3.41Å; L611-K616 PolarHBondContact O-NZ 2.99Å; T612-K616 WeakPolarHBondContact O-CG 3.36Å; T612-K616 PolarHBondContact O-N 3.16Å; K614-K616 VanDerWaalsContact C-N 3.32Å; K614-K616 PolarHBondContact O-N 3.18Å; K616-R620 WeakPolarHBondContact O-CG 3.45Å; K616-R620 PolarHBondContact O-N 3.11Å
617	A	94.1	Very high	92.3	Very high	22 Å²	22	95.5 Å²	95.5	18%	0.182	45%	0.452	C	S	.	.	H	α-helix	trans	-68.8	-36.9	175.7	0	0	0	0	0	112.8	S613 K614 D615 R620 R621	S613-A617 WeakPolarHBondContact O-CB 3.35Å; S613-A617 PolarHBondContact O-N 2.87Å; K614-A617 PolarHBondContact O-N 3.28Å; D615-A617 PolarHBondContact O-N 2.32Å; A617-R620 PolarHBondContact O-N 3.19Å; A617-R621 PolarHBondContact O-N 2.93Å
618	Q	94.5	Very high	92.6	Very high	106 Å²	106	97 Å²	97	50%	0.495	45%	0.452	S	S	.	.	H	α-helix	trans	-63	-46.2	174.2	-175.7	174	-44.4	0	0	111.4	K614 D615 R620 R621 E622	K614-Q618 PolarHBondContact O-N 2.88Å; D615-Q618 PolarHBondContact O-N 3.1Å; Q618-R620 VanDerWaalsContact C-N 3.34Å; Q618-R620 PolarHBondContact O-N 3.25Å; Q618-R621 WeakPolarHBondContact O-CB 3.4Å; Q618-R621 PolarHBondContact O-N 3.14Å; Q618-R621 VanDerWaalsContact O-N 3.12Å; Q618-E622 PolarHBondContact O-N 3.26Å
619	I	93.4	Very high	92.8	Very high	69 Å²	69	94 Å²	94	35%	0.354	46%	0.461	S	S	.	.	H	α-helix	trans	-62.3	-39	176.5	-67.7	161.8	0	0	0	111.2	L611 D615 R621 L623	L611-I619 HydrophobicContact CD1-CD1 3.85Å; L611-I619 HydrophobicContact CD2-CD1 4.23Å; D615-I619 WeakPolarHBondContact O-CB 3.28Å; D615-I619 WeakPolarHBondContact O-CD1 3.45Å; D615-I619 VanDerWaalsContact O-CG1 3.27Å; D615-I619 WeakPolarHBondContact O-CG1 3.47Å; D615-I619 PolarHBondContact O-N 2.89Å; I619-R621 VanDerWaalsContact C-N 3.32Å; I619-R621 PolarHBondContact O-N 3.25Å; I619-L623 HydrophobicContact CG2-CD1 3.84Å; I619-L623 HydrophobicContact CG2-CG 4.32Å; I619-L623 VanDerWaalsContact O-CB 3.3Å; I619-L623 WeakPolarHBondContact O-CB 3.22Å; I619-L623 VanDerWaalsContact O-CG 3.23Å; I619-L623 WeakPolarHBondContact O-CG 3.35Å; I619-L623 PolarHBondContact O-N 2.89Å
620	R	95.8	Very high	92.9	Very high	102 Å²	102	96.4 Å²	96.4	39%	0.385	47%	0.47	S	S	.	.	H	α-helix	trans	-60.6	-40.9	173.2	-72.7	176.9	-161.6	165.9	-1.3	112.3	K616 A617 Q618 N624 H644 P645 P646	K616-R620 WeakPolarHBondContact O-CG 3.45Å; K616-R620 PolarHBondContact O-N 3.11Å; A617-R620 PolarHBondContact O-N 3.19Å; Q618-R620 VanDerWaalsContact C-N 3.34Å; Q618-R620 PolarHBondContact O-N 3.25Å; R620-N624 WeakPolarHBondContact O-CB 3.36Å; R620-N624 PolarHBondContact O-N 3.24Å; R620-H644 HydrophobicContact CB-CB 3.95Å; R620-H644 HydrophobicContact CG-CB 3.91Å; R620-P645 VanDerWaalsContact CD-O 3.26Å; R620-P645 WeakPolarHBondContact CD-O 3.48Å; R620-P646 PolarHBondContact NH1-O 3.29Å; R620-P646 VanDerWaalsContact NH1-O 3.08Å
621	R	94.7	Very high	93	Very high	159 Å²	159	89.4 Å²	89.4	60%	0.6	45%	0.447	S	S	*	.	H	α-helix	trans	-65.2	-52.8	177.8	-169.6	-173.6	-58	155.9	5.2	110.8	A617 Q618 I619 L623 N624 D625	A617-R621 PolarHBondContact O-N 2.93Å; Q618-R621 WeakPolarHBondContact O-CB 3.4Å; Q618-R621 PolarHBondContact O-N 3.14Å; Q618-R621 VanDerWaalsContact O-N 3.12Å; I619-R621 VanDerWaalsContact C-N 3.32Å; I619-R621 PolarHBondContact O-N 3.25Å; R621-L623 VanDerWaalsContact C-N 3.3Å; R621-L623 PolarHBondContact O-N 3.36Å; R621-N624 CarbonylContact O-C 3.57Å; R621-N624 WeakPolarHBondContact O-CA 3.21Å; R621-N624 WeakPolarHBondContact O-CB 3.4Å; R621-N624 PolarHBondContact O-N 3.03Å; R621-D625 VanDerWaalsContact O-CG 3.23Å; R621-D625 PolarHBondContact O-N 3.2Å
622	E	95.1	Very high	92.9	Very high	122 Å²	122	94.7 Å²	94.7	57%	0.57	48%	0.476	S	S	*	.	H	α-helix	trans	-55.7	-43	177.6	-168.6	178.9	149.9	0	0	112	Q618 N624 D625 Y626	Q618-E622 PolarHBondContact O-N 3.26Å; E622-N624 VanDerWaalsContact C-N 3.32Å; E622-N624 PolarHBondContact O-N 3.45Å; E622-D625 PolarHBondContact O-N 3.32Å; E622-Y626 WeakPolarHBondContact O-CB 3.17Å; E622-Y626 PolarHBondContact O-N 3.27Å
623	L	95.4	Very high	92.6	Very high	77 Å²	77	92.2 Å²	92.2	40%	0.403	46%	0.46	S	S	.	.	H	α-helix	trans	-68.3	-25.2	173.7	-72.9	172.5	0	0	0	114.2	I619 R621 K627	I619-L623 HydrophobicContact CG2-CD1 3.84Å; I619-L623 HydrophobicContact CG2-CG 4.32Å; I619-L623 VanDerWaalsContact O-CB 3.3Å; I619-L623 WeakPolarHBondContact O-CB 3.22Å; I619-L623 VanDerWaalsContact O-CG 3.23Å; I619-L623 WeakPolarHBondContact O-CG 3.35Å; I619-L623 PolarHBondContact O-N 2.89Å; R621-L623 VanDerWaalsContact C-N 3.3Å; R621-L623 PolarHBondContact O-N 3.36Å; L623-K627 VanDerWaalsContact O-CD 3.22Å; L623-K627 WeakPolarHBondContact O-CD 3.17Å; L623-K627 WeakPolarHBondContact O-CE 3.19Å; L623-K627 WeakPolarHBondContact O-CG 3.44Å; L623-K627 PolarHBondContact O-N 3.18Å
624	N	94.4	Very high	92.3	Very high	25 Å²	25	94.9 Å²	94.9	13%	0.134	46%	0.462	C	S	.	.	H	α-helix	trans	-80.1	-44.3	173.3	-76.1	-11.4	0	0	0	110.7	R620 R621 E622 Y626 K627 M628 F643 H644	R620-N624 WeakPolarHBondContact O-CB 3.36Å; R620-N624 PolarHBondContact O-N 3.24Å; R621-N624 CarbonylContact O-C 3.57Å; R621-N624 WeakPolarHBondContact O-CA 3.21Å; R621-N624 WeakPolarHBondContact O-CB 3.4Å; R621-N624 PolarHBondContact O-N 3.03Å; E622-N624 VanDerWaalsContact C-N 3.32Å; E622-N624 PolarHBondContact O-N 3.45Å; N624-Y626 VanDerWaalsContact C-N 3.35Å; N624-Y626 PolarHBondContact O-N 3.37Å; N624-K627 CarbonylContact O-C 3.56Å; N624-K627 PolarHBondContact O-N 3.3Å; N624-K627 VanDerWaalsContact O-N 3.15Å; N624-M628 WeakPolarHBondContact O-CG 3.01Å; N624-M628 PolarHBondContact O-N 3.16Å; N624-F643 HydrophobicContact CB-CD1 4.06Å; N624-F643 WeakPolarHBondContact OD1-CA 3.36Å; N624-H644 PolarHBondContact ND2-O 3.1Å; N624-H644 PolarHBondContact OD1-CD2 2.85Å; N624-H644 PolarHBondContact OD1-N 2.85Å
625	D	93.7	Very high	92.1	Very high	89 Å²	89	94.2 Å²	94.2	48%	0.476	46%	0.461	S	S	.	.	H	α-helix	trans	-59.2	-45.9	177.6	-62.1	-24.2	0	0	0	110.3	R621 E622 K627 M628 A629	R621-D625 VanDerWaalsContact O-CG 3.23Å; R621-D625 PolarHBondContact O-N 3.2Å; E622-D625 PolarHBondContact O-N 3.32Å; D625-K627 PolarHBondContact O-N 3Å; D625-M628 PolarHBondContact O-N 3.46Å; D625-M628 VanDerWaalsContact O-N 3.11Å; D625-A629 WeakPolarHBondContact O-CB 3.39Å; D625-A629 PolarHBondContact O-N 2.83Å
626	Y	93.5	Very high	91.9	Very high	108 Å²	108	98.3 Å²	98.3	42%	0.424	48%	0.483	S	S	.	.	H	α-helix	trans	-55.1	-49.7	172	-178.9	-96.5	0	0	0	112.2	E622 N624 M628 A629 E630 M631	E622-Y626 WeakPolarHBondContact O-CB 3.17Å; E622-Y626 PolarHBondContact O-N 3.27Å; N624-Y626 VanDerWaalsContact C-N 3.35Å; N624-Y626 PolarHBondContact O-N 3.37Å; Y626-M628 PolarHBondContact O-N 3.21Å; Y626-A629 PolarHBondContact O-N 2.95Å; Y626-E630 HydrophobicContact CD2-CB 3.75Å; Y626-E630 HydrophobicContact CD2-CG 4.01Å; Y626-E630 WeakPolarHBondContact CD2-OE2 3.41Å; Y626-E630 HydrophobicContact CE2-CB 3.92Å; Y626-E630 VanDerWaalsContact CE2-CD 3.43Å; Y626-E630 HydrophobicContact CE2-CG 3.74Å; Y626-E630 HydrophobicContact CG-CB 4.48Å; Y626-E630 PolarHBondContact O-N 3.37Å; Y626-M631 HydrophobicContact CD1-CB 4.16Å; Y626-M631 HydrophobicContact CE1-CB 3.89Å; Y626-M631 HydrophobicContact CE1-CG 4.15Å; Y626-M631 HydrophobicContact CE1-SD 4.19Å; Y626-M631 WeakPolarHBondContact O-CB 3.38Å; Y626-M631 PolarHBondContact O-N 3.48Å
627	K	91.6	Very high	91.7	Very high	35 Å²	35	96.4 Å²	96.4	15%	0.152	48%	0.481	C	S	.	.	H	α-helix	trans	-65.6	-22	177.6	-72	169.7	-164	169.5	0	114.1	L623 N624 D625 M631 T641 R642 F643 H644	L623-K627 VanDerWaalsContact O-CD 3.22Å; L623-K627 WeakPolarHBondContact O-CD 3.17Å; L623-K627 WeakPolarHBondContact O-CE 3.19Å; L623-K627 WeakPolarHBondContact O-CG 3.44Å; L623-K627 PolarHBondContact O-N 3.18Å; N624-K627 CarbonylContact O-C 3.56Å; N624-K627 PolarHBondContact O-N 3.3Å; N624-K627 VanDerWaalsContact O-N 3.15Å; D625-K627 PolarHBondContact O-N 3Å; K627-M631 HydrophobicContact CB-CE 4.1Å; K627-M631 HydrophobicContact CG-CE 3.81Å; K627-M631 HydrophobicContact CG-SD 4.25Å; K627-T641 HydrophobicContact CB-CG2 4.07Å; K627-T641 HydrophobicContact CD-CG2 4.2Å; K627-T641 HydrophobicContact CG-CG2 4.25Å; K627-R642 PolarHBondContact NZ-O 3.06Å; K627-F643 HydrophobicContact CB-CD1 4.19Å; K627-F643 HydrophobicContact CB-CE1 3.56Å; K627-F643 HydrophobicContact CB-CZ 4.38Å; K627-F643 HydrophobicContact CD-CD1 4.24Å; K627-F643 HydrophobicContact CD-CE1 4.35Å; K627-H644 PolarHBondContact NZ-CD2 3.46Å; K627-H644 PolarHBondContact NZ-NE2 3.23Å
628	M	87.5	Confident	91.4	Very high	132 Å²	132	101 Å²	101	65%	0.65	49%	0.493	S	S	*	.	H	α-helix	trans	-89.5	-37.2	178.9	-74.2	-171.7	65.7	0	0	112.8	N624 D625 Y626 F643	N624-M628 WeakPolarHBondContact O-CG 3.01Å; N624-M628 PolarHBondContact O-N 3.16Å; D625-M628 PolarHBondContact O-N 3.46Å; D625-M628 VanDerWaalsContact O-N 3.11Å; Y626-M628 PolarHBondContact O-N 3.21Å; M628-F643 HydrophobicContact CG-CD1 4.33Å; M628-F643 HydrophobicContact CG-CE1 3.43Å; M628-F643 VanDerWaalsContact CG-CE1 3.43Å; M628-F643 HydrophobicContact CG-CZ 3.76Å; M628-F643 HydrophobicContact SD-CE1 4.44Å
629	A	88.7	Confident	91.2	Very high	94 Å²	94	103.3 Å²	103.3	78%	0.777	50%	0.504	S	S	*	.	H	α-helix	trans	-118.8	-31.9	-165.2	0	0	0	0	0	115.6	D625 Y626	D625-A629 WeakPolarHBondContact O-CB 3.39Å; D625-A629 PolarHBondContact O-N 2.83Å; Y626-A629 PolarHBondContact O-N 2.95Å
630	E	89.5	Confident	91.1	Very high	144 Å²	144	107.3 Å²	107.3	67%	0.673	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.5	-28.4	-172.6	-168.5	179.6	160	0	0	113	Y626 D632	Y626-E630 HydrophobicContact CD2-CB 3.75Å; Y626-E630 HydrophobicContact CD2-CG 4.01Å; Y626-E630 WeakPolarHBondContact CD2-OE2 3.41Å; Y626-E630 HydrophobicContact CE2-CB 3.92Å; Y626-E630 VanDerWaalsContact CE2-CD 3.43Å; Y626-E630 HydrophobicContact CE2-CG 3.74Å; Y626-E630 HydrophobicContact CG-CB 4.48Å; Y626-E630 PolarHBondContact O-N 3.37Å; E630-D632 PolarHBondContact O-N 3.12Å
631	M	89.3	Confident	90.8	Very high	64 Å²	64	103.9 Å²	103.9	32%	0.315	51%	0.51	S	S	.	.	S	Bend	trans	-78.3	109.8	178.6	-165.3	171.2	77.1	0	0	111.2	Y626 K627 V633 T641	Y626-M631 HydrophobicContact CD1-CB 4.16Å; Y626-M631 HydrophobicContact CE1-CB 3.89Å; Y626-M631 HydrophobicContact CE1-CG 4.15Å; Y626-M631 HydrophobicContact CE1-SD 4.19Å; Y626-M631 WeakPolarHBondContact O-CB 3.38Å; Y626-M631 PolarHBondContact O-N 3.48Å; K627-M631 HydrophobicContact CB-CE 4.1Å; K627-M631 HydrophobicContact CG-CE 3.81Å; K627-M631 HydrophobicContact CG-SD 4.25Å; M631-V633 HydrophobicContact CB-CG2 4.44Å; M631-V633 HydrophobicContact CE-CG2 3.39Å; M631-V633 HydrophobicContact CG-CG2 4.04Å; M631-V633 PolarHBondContact O-N 3.39Å; M631-T641 HydrophobicContact CE-CG2 3.69Å
632	D	89.3	Confident	90.7	Very high	169 Å²	169	106.6 Å²	106.6	90%	0.904	52%	0.52	S	S	*	.			trans	-67.3	88.3	175.6	-99.1	-29.8	0	0	0	112	E630	E630-D632 PolarHBondContact O-N 3.12Å
633	V	86.5	Confident	90.6	Very high	21 Å²	21	105.7 Å²	105.7	13%	0.127	51%	0.514	C	S	.	.			trans	-96.3	117.3	176.1	-172.2	0	0	0	0	110.6	M631 R638	M631-V633 HydrophobicContact CB-CG2 4.44Å; M631-V633 HydrophobicContact CE-CG2 3.39Å; M631-V633 HydrophobicContact CG-CG2 4.04Å; M631-V633 PolarHBondContact O-N 3.39Å; V633-R638 HydrophobicContact CB-CG 4.19Å; V633-R638 HydrophobicContact CG1-CB 4.42Å; V633-R638 HydrophobicContact CG1-CG 3.87Å
634	H	88.4	Confident	90.5	Very high	157 Å²	157	105.4 Å²	105.4	73%	0.727	51%	0.511	S	S	*	.			trans	-50.1	140.1	169.8	-66.2	-46.5	0	0	0	111.5	D636 S637 R638	H634-D636 VanDerWaalsContact C-N 3.35Å; H634-D636 PolarHBondContact O-N 3.22Å; H634-S637 WeakPolarHBondContact O-CA 3.47Å; H634-S637 WeakPolarHBondContact O-CB 3.46Å; H634-S637 PolarHBondContact O-N 3.02Å; H634-R638 PolarHBondContact O-N 2.96Å
635	Q	88.7	Confident	90.2	Very high	142 Å²	142	108.5 Å²	108.5	66%	0.664	53%	0.532	S	S	*	.	G	3₁₀ helix	trans	-56.1	-45.8	-168.3	-159.1	70.3	-6.7	0	0	113.2	S637 R638	Q635-S637 PolarHBondContact O-N 2.95Å; Q635-R638 PolarHBondContact O-N 2.83Å
636	D	90.9	Very high	89.5	Confident	138 Å²	138	111.2 Å²	111.2	74%	0.738	56%	0.555	S	S	*	*	G	3₁₀ helix	trans	-65.4	-22.3	178.7	-53.6	-22.9	0	0	0	113.2	H634 Q639	H634-D636 VanDerWaalsContact C-N 3.35Å; H634-D636 PolarHBondContact O-N 3.22Å; D636-Q639 PolarHBondContact O-NE2 3.04Å
637	S	90.2	Very high	89.3	Confident	50 Å²	50	111.4 Å²	111.4	35%	0.35	56%	0.561	S	S	.	*	G	3₁₀ helix	trans	-91.6	-12.1	-179.2	-62.6	0	0	0	0	113.8	H634 Q635 Q639 F640	H634-S637 WeakPolarHBondContact O-CA 3.47Å; H634-S637 WeakPolarHBondContact O-CB 3.46Å; H634-S637 PolarHBondContact O-N 3.02Å; Q635-S637 PolarHBondContact O-N 2.95Å; S637-Q639 PolarHBondContact O-N 3.31Å; S637-Q639 VanDerWaalsContact O-N 3.14Å; S637-F640 PolarHBondContact O-N 3.21Å
638	R	88.9	Confident	89.2	Confident	118 Å²	118	115.4 Å²	115.4	45%	0.445	58%	0.583	S	S	.	*	G	3₁₀ helix	trans	-56.1	-33.9	-176.4	-72.8	-172.3	-177.6	-90.1	-4.2	113.3	V633 H634 Q635 F640 T641	V633-R638 HydrophobicContact CB-CG 4.19Å; V633-R638 HydrophobicContact CG1-CB 4.42Å; V633-R638 HydrophobicContact CG1-CG 3.87Å; H634-R638 PolarHBondContact O-N 2.96Å; Q635-R638 PolarHBondContact O-N 2.83Å; R638-F640 PolarHBondContact O-N 2.8Å; R638-T641 WeakPolarHBondContact O-CB 3.4Å; R638-T641 PolarHBondContact O-N 2.9Å; R638-T641 VanDerWaalsContact O-N 3.1Å
639	Q	90.1	Very high	89.3	Confident	155 Å²	155	114.4 Å²	114.4	72%	0.724	58%	0.579	S	S	*	*	G	3₁₀ helix	trans	-61.6	-19.7	176	62.8	-177.7	-25.5	0	0	114.6	D636 S637	D636-Q639 PolarHBondContact O-NE2 3.04Å; S637-Q639 PolarHBondContact O-N 3.31Å; S637-Q639 VanDerWaalsContact O-N 3.14Å
640	F	90.9	Very high	89.4	Confident	153 Å²	153	115.6 Å²	115.6	67%	0.671	57%	0.567	S	S	*	*	G	3₁₀ helix	trans	-90.3	-9.5	177.4	-53.2	-59.2	0	0	0	113	S637 R638 R642	S637-F640 PolarHBondContact O-N 3.21Å; R638-F640 PolarHBondContact O-N 2.8Å; F640-R642 PolarHBondContact O-N 3.25Å
641	T	89.6	Confident	89.3	Confident	30 Å²	30	113.9 Å²	113.9	18%	0.184	56%	0.561	C	S	.	*			trans	-78.7	102.9	178.2	-60	0	0	0	0	110.7	K627 M631 R638 F643	K627-T641 HydrophobicContact CB-CG2 4.07Å; K627-T641 HydrophobicContact CD-CG2 4.2Å; K627-T641 HydrophobicContact CG-CG2 4.25Å; M631-T641 HydrophobicContact CE-CG2 3.69Å; R638-T641 WeakPolarHBondContact O-CB 3.4Å; R638-T641 PolarHBondContact O-N 2.9Å; R638-T641 VanDerWaalsContact O-N 3.1Å; T641-F643 HydrophobicContact CG2-CE1 4.45Å; T641-F643 HydrophobicContact CG2-CE2 4.46Å; T641-F643 HydrophobicContact CG2-CZ 4.11Å
642	R	92.5	Very high	89.4	Confident	216 Å²	216	117.2 Å²	117.2	82%	0.815	58%	0.577	S	S	*	*	P	Polyproline II helix	trans	-85.7	121	177.2	-67.8	-178.4	177.8	-100.9	-0.2	111.8	K627 F640	K627-R642 PolarHBondContact NZ-O 3.06Å; F640-R642 PolarHBondContact O-N 3.25Å
643	F	92.9	Very high	89.4	Confident	102 Å²	102	113.5 Å²	113.5	45%	0.447	55%	0.554	S	S	.	*	P	Polyproline II helix	trans	-79.2	153.8	169.1	-62.5	-74.6	0	0	0	111.2	N624 K627 M628 T641	N624-F643 HydrophobicContact CB-CD1 4.06Å; N624-F643 WeakPolarHBondContact OD1-CA 3.36Å; K627-F643 HydrophobicContact CB-CD1 4.19Å; K627-F643 HydrophobicContact CB-CE1 3.56Å; K627-F643 HydrophobicContact CB-CZ 4.38Å; K627-F643 HydrophobicContact CD-CD1 4.24Å; K627-F643 HydrophobicContact CD-CE1 4.35Å; M628-F643 HydrophobicContact CG-CD1 4.33Å; M628-F643 HydrophobicContact CG-CE1 3.43Å; M628-F643 VanDerWaalsContact CG-CE1 3.43Å; M628-F643 HydrophobicContact CG-CZ 3.76Å; M628-F643 HydrophobicContact SD-CE1 4.44Å; T641-F643 HydrophobicContact CG2-CE1 4.45Å; T641-F643 HydrophobicContact CG2-CE2 4.46Å; T641-F643 HydrophobicContact CG2-CZ 4.11Å
644	H	93.3	Very high	89.6	Confident	72 Å²	72	120.6 Å²	120.6	33%	0.333	59%	0.586	S	S	.	*	P	Polyproline II helix	trans	-80	145.6	169.4	-58.7	-69.8	0	0	0	109.5	R620 N624 K627	R620-H644 HydrophobicContact CB-CB 3.95Å; R620-H644 HydrophobicContact CG-CB 3.91Å; N624-H644 PolarHBondContact ND2-O 3.1Å; N624-H644 PolarHBondContact OD1-CD2 2.85Å; N624-H644 PolarHBondContact OD1-N 2.85Å; K627-H644 PolarHBondContact NZ-CD2 3.46Å; K627-H644 PolarHBondContact NZ-NE2 3.23Å
645	P	88.4	Confident	89.7	Confident	89 Å²	89	117.6 Å²	117.6	58%	0.578	58%	0.575	S	S	*	*	P	Polyproline II helix	trans	-60.3	152.1	166.7	28.7	-34.8	0	0	0	110	R620	R620-P645 VanDerWaalsContact CD-O 3.26Å; R620-P645 WeakPolarHBondContact CD-O 3.48Å
646	P	79.7	Confident	89.8	Confident	146 Å²	146	115.4 Å²	115.4	95%	0.948	57%	0.567	S	S	*	*			trans	-60.3	0	-179.5	24.3	-33.1	0	0	0	114.6	R620	R620-P646 PolarHBondContact NH1-O 3.29Å; R620-P646 VanDerWaalsContact NH1-O 3.08Å

Retrieved 646 of 646 residues in 624.3 ms (Link to these results)

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