A0A3Q0KTI0_SCHMA Loading...

Putative zinc finger protein

AlphaFold DB , UniProt , Accession A0A3Q0KTI0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 734 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.3	Very low	36.7	Very low	184 Å²	184	167.8 Å²	167.8	91%	0.906	85%	0.846	S	S	*	*				0	129.6	0	-62	-61.4	163.9	0	0	106.2	R3	M1-R3 HydrophobicContact CE-CG 4.37Å; M1-R3 HydrophobicContact SD-CB 4.41Å; M1-R3 HydrophobicContact SD-CG 3.68Å
2	P	45	Very low	36.5	Very low	126 Å²	126	167.3 Å²	167.3	82%	0.818	85%	0.847	S	S	*	*			cis	-74	173.3	34.7	-21.6	34.7	0	0	0	116.8
3	R	32.5	Very low	36	Very low	209 Å²	209	165.9 Å²	165.9	79%	0.789	84%	0.842	S	S	*	*			trans	-119.6	120.4	170.7	-102.1	168.5	170.5	171.2	-2.6	107.8	M1	M1-R3 HydrophobicContact CE-CG 4.37Å; M1-R3 HydrophobicContact SD-CB 4.41Å; M1-R3 HydrophobicContact SD-CG 3.68Å
4	F	42.5	Very low	35.7	Very low	208 Å²	208	164.6 Å²	164.6	91%	0.912	84%	0.839	S	S	*	*			trans	-107.8	138.7	156.5	-91.4	-88.9	0	0	0	108.6
5	K	38.1	Very low	35.6	Very low	201 Å²	201	161.5 Å²	161.5	87%	0.874	84%	0.837	S	S	*	*			trans	-87.9	129.2	179.5	-67.4	176.5	177.7	177.6	0	108.8
6	A	35.1	Very low	35.7	Very low	100 Å²	100	164.1 Å²	164.1	83%	0.826	84%	0.84	S	S	*	*			trans	-78.6	137	169.7	0	0	0	0	0	110.7
7	T	40.8	Very low	35.6	Very low	128 Å²	128	165.5 Å²	165.5	79%	0.785	84%	0.843	S	S	*	*			trans	-104.7	120.5	165.5	45.1	0	0	0	0	108.9
8	P	31.3	Very low	35.6	Very low	125 Å²	125	167.4 Å²	167.4	81%	0.812	85%	0.848	S	S	*	*			trans	-79	122.2	174.1	31	-31.4	0	0	0	110
9	Q	41.8	Very low	35.4	Very low	178 Å²	178	164.8 Å²	164.8	83%	0.832	85%	0.847	S	S	*	*			trans	-107.1	115.9	161.4	-83.9	-174.1	-36.8	0	0	109.1
10	Q	33.2	Very low	35.6	Very low	182 Å²	182	162.3 Å²	162.3	85%	0.85	84%	0.844	S	S	*	*			trans	-77.9	132.8	166.6	-59.9	170.9	-60.3	0	0	108.3
11	F	32.4	Very low	35.3	Very low	205 Å²	205	161.4 Å²	161.4	90%	0.899	84%	0.84	S	S	*	*			trans	-138.8	158.4	153.4	-99.2	-75.2	0	0	0	110.4
12	N	34	Very low	35.6	Very low	161 Å²	161	160.6 Å²	160.6	86%	0.861	84%	0.84	S	S	*	*			trans	-91.3	154.9	-145.3	-126.3	-17	0	0	0	114.7
13	L	30	Very low	35.3	Very low	150 Å²	150	163 Å²	163	79%	0.785	84%	0.84	S	S	*	*			trans	-75.1	138.1	165.4	-67.3	165.1	0	0	0	110.3
14	N	32.4	Very low	35.3	Very low	148 Å²	148	160.2 Å²	160.2	79%	0.791	84%	0.841	S	S	*	*				171.2	148.8	116.3	-91	-14.4	0	0	0	113.6
15	S	33.3	Very low	34.9	Very low	117 Å²	117	158 Å²	158	82%	0.818	84%	0.838	S	S	*	*			trans	68.4	138.7	161.8	-56.1	0	0	0	0	116.7
16	K	38.1	Very low	34.7	Very low	204 Å²	204	155.8 Å²	155.8	89%	0.887	83%	0.834	S	S	*	*			cis	-127	165	9.9	-82.6	-179	172.3	177.2	0	112.6
17	Q	33.3	Very low	34.7	Very low	188 Å²	188	158 Å²	158	88%	0.879	83%	0.832	S	S	*	*			trans	-74.1	138.3	160.3	-53.9	157.1	-88.8	0	0	109.8
18	E	35.9	Very low	34.5	Very low	200 Å²	200	158 Å²	158	94%	0.935	83%	0.828	S	S	*	*			trans	-141.6	160.2	135.5	-69.9	-159.5	157.9	0	0	107.5
19	S	32.3	Very low	34.6	Very low	118 Å²	118	160.3 Å²	160.3	83%	0.825	83%	0.832	S	S	*	*			trans	-131.6	128.9	-162.5	56.5	0	0	0	0	113.6
20	S	39.3	Very low	34.6	Very low	113 Å²	113	157.8 Å²	157.8	79%	0.79	82%	0.82	S	S	*	*			trans	-140.6	144.1	160.8	54.5	0	0	0	0	108.9
21	N	29.5	Very low	34.5	Very low	144 Å²	144	155.7 Å²	155.7	77%	0.77	81%	0.814	S	S	*	*			trans	-93.5	140.8	-173.2	-23.3	-80.4	0	0	0	110.8
22	D	36.4	Very low	34.5	Very low	167 Å²	167	150.2 Å²	150.2	89%	0.893	79%	0.794	S	S	*	*			trans	-142.4	105.8	156.1	-81	-56.6	0	0	0	106.6
23	E	39.1	Very low	34.7	Very low	178 Å²	178	148.1 Å²	148.1	83%	0.832	78%	0.783	S	S	*	*			trans	-93.4	134.9	-179.2	-72.2	-172.1	150.9	0	0	111.7
24	D	33	Very low	34.9	Very low	150 Å²	150	144.4 Å²	144.4	80%	0.802	77%	0.769	S	S	*	*			trans	31.3	96.9	147.1	-62.3	-18.4	0	0	0	119
25	N	34.5	Very low	35	Very low	160 Å²	160	142.3 Å²	142.3	86%	0.856	77%	0.766	S	S	*	*			trans	-143.7	80.9	150.6	-135.2	-20.4	0	0	0	110.3
26	I	32.8	Very low	34.7	Very low	155 Å²	155	143.1 Å²	143.1	80%	0.795	76%	0.761	S	S	*	*			trans	-124.3	85.5	179	-54.4	176.7	0	0	0	108.7
27	D	34.9	Very low	34.3	Very low	146 Å²	146	138.3 Å²	138.3	78%	0.781	75%	0.745	S	S	*	*			trans	-149.2	160.2	167.4	-89.7	-46.6	0	0	0	110.5
28	D	36.7	Very low	34.3	Very low	129 Å²	129	135.7 Å²	135.7	69%	0.69	74%	0.742	S	S	*	*			trans	53.1	63.1	165.8	-65.7	-11.7	0	0	0	119.5	E30	D28-E30 PolarHBondContact O-N 3.32Å
29	I	33.3	Very low	34	Very low	174 Å²	174	132.6 Å²	132.6	89%	0.892	73%	0.732	S	S	*	*			trans	-90.4	82.8	148.4	-53.6	179.1	0	0	0	108.9
30	E	41.5	Very low	34.1	Very low	124 Å²	124	131.9 Å²	131.9	58%	0.579	73%	0.727	S	S	*	*			trans	-102.2	147.8	163.6	-78.5	-169.2	179.6	0	0	111.2	D28 D32 K305	D28-E30 PolarHBondContact O-N 3.32Å; E30-D32 PolarHBondContact O-N 3.27Å; E30-K305 IonicContact OE1-NZ 3.19Å; E30-K305 PolarHBondContact OE1-NZ 3.23Å; E30-K305 IonicContact OE2-NZ 2.77Å; E30-K305 PolarHBondContact OE2-NZ 3.12Å
31	D	30.7	Very low	33.6	Very low	139 Å²	139	134.2 Å²	134.2	74%	0.743	73%	0.725	S	S	*	*			trans	-75.7	84.3	-169.8	-72.3	-67.6	0	0	0	113.8	L33	D31-L33 HydrophobicContact CB-CD1 4.1Å; D31-L33 HydrophobicContact CB-CG 4.06Å; D31-L33 PolarHBondContact O-N 3.43Å
32	D	34.4	Very low	33.9	Very low	89 Å²	89	132.7 Å²	132.7	48%	0.476	73%	0.725	S	S	.	*			trans	-67.2	51.8	161.7	-86.8	-28.1	0	0	0	111.2	E30 S34 R296	E30-D32 PolarHBondContact O-N 3.27Å; D32-S34 VanDerWaalsContact C-N 3.28Å; D32-S34 PolarHBondContact O-N 3.47Å; D32-S34 VanDerWaalsContact O-N 3.15Å; D32-R296 IonicContact OD2-CZ 2.94Å; D32-R296 IonicContact OD2-NH1 3.14Å; D32-R296 IonicContact OD2-NH2 2.75Å; D32-R296 PolarHBondContact OD2-NH2 3.06Å
33	L	36.8	Very low	33.9	Very low	118 Å²	118	129.9 Å²	129.9	62%	0.618	72%	0.719	S	S	*	*			trans	-87.7	55.3	180	-70.3	179.3	0	0	0	112.3	D31	D31-L33 HydrophobicContact CB-CD1 4.1Å; D31-L33 HydrophobicContact CB-CG 4.06Å; D31-L33 PolarHBondContact O-N 3.43Å
34	S	34	Very low	33.4	Very low	71 Å²	71	128.3 Å²	128.3	50%	0.497	72%	0.716	S	S	.	*			trans	-114.9	23.6	176.9	52.7	0	0	0	0	113.7	D32	D32-S34 VanDerWaalsContact C-N 3.28Å; D32-S34 PolarHBondContact O-N 3.47Å; D32-S34 VanDerWaalsContact O-N 3.15Å
35	S	35.3	Very low	33.5	Very low	105 Å²	105	128.8 Å²	128.8	73%	0.734	72%	0.719	S	S	*	*			trans	-125	51.3	-177.6	-59.7	0	0	0	0	113.4
36	N	27.3	Very low	33.3	Very low	134 Å²	134	128.1 Å²	128.1	72%	0.717	71%	0.71	S	S	*	*			trans	-144.5	103.5	165.7	-70.4	-84.3	0	0	0	109
37	D	28.4	Very low	33.4	Very low	102 Å²	102	129 Å²	129	55%	0.545	72%	0.716	S	S	.	*			trans	163.2	67.3	155.2	-83	-10.4	0	0	0	106.7	R346	D37-R346 IonicContact OD1-NH1 2.84Å; D37-R346 IonicContact OD2-CZ 3Å; D37-R346 IonicContact OD2-NH1 2.75Å; D37-R346 PolarHBondContact OD2-NH1 2.71Å; D37-R346 IonicContact OD2-NH2 2.93Å; D37-R346 PolarHBondContact OD2-NH2 3.21Å
38	V	35	Very low	33.4	Very low	133 Å²	133	130 Å²	130	81%	0.806	72%	0.717	S	S	*	*			trans	-114.5	91	168.7	-78.4	0	0	0	0	108.7	S40	V38-S40 PolarHBondContact O-N 3.31Å
39	D	27.9	Very low	33.4	Very low	136 Å²	136	129.7 Å²	129.7	73%	0.727	72%	0.724	S	S	*	*			trans	-76.6	64.2	178.7	-75.3	-52.2	0	0	0	111.4	H41	D39-H41 VanDerWaalsContact C-N 3.26Å; D39-H41 PolarHBondContact O-N 3.43Å
40	S	35	Very low	33.8	Very low	103 Å²	103	126.2 Å²	126.2	72%	0.72	72%	0.716	S	S	*	*			trans	-71.3	83.9	165.5	60	0	0	0	0	109.2	V38 S42	V38-S40 PolarHBondContact O-N 3.31Å; S40-S42 PolarHBondContact O-N 3.41Å
41	H	29.4	Very low	33.6	Very low	162 Å²	162	128 Å²	128	75%	0.75	73%	0.729	S	S	*	*			trans	-55.2	103.8	172.5	-71.2	-84.8	0	0	0	110.4	D39	D39-H41 VanDerWaalsContact C-N 3.26Å; D39-H41 PolarHBondContact O-N 3.43Å
42	S	34.7	Very low	33.9	Very low	111 Å²	111	124.4 Å²	124.4	78%	0.776	73%	0.725	S	S	*	*			trans	-124.9	125.1	167.3	-169.1	0	0	0	0	109.2	S40	S40-S42 PolarHBondContact O-N 3.41Å
43	S	36.8	Very low	34	Very low	109 Å²	109	129.4 Å²	129.4	76%	0.762	75%	0.745	S	S	*	*			trans	-45.3	132.4	-169.9	-52.1	0	0	0	0	115.1	N45	S43-N45 PolarHBondContact O-N 3.12Å
44	N	28.3	Very low	33.9	Very low	145 Å²	145	132 Å²	132	78%	0.775	75%	0.754	S	S	*	*			trans	-60.9	129.3	160.9	-67.6	-55.1	0	0	0	109.5
45	N	35.2	Very low	34	Very low	159 Å²	159	135.6 Å²	135.6	85%	0.85	77%	0.767	S	S	*	*			trans	-140.2	118	150.3	-86.1	-38.8	0	0	0	107.6	S43	S43-N45 PolarHBondContact O-N 3.12Å
46	H	31.4	Very low	34.1	Very low	147 Å²	147	137 Å²	137	68%	0.681	77%	0.766	S	S	*	*			trans	-94	137	167.2	-97.9	-79.9	0	0	0	108.1
47	D	35.1	Very low	34.7	Very low	172 Å²	172	136.5 Å²	136.5	92%	0.92	77%	0.773	S	S	*	*			trans	-143.8	135.1	148	-92.6	-47.9	0	0	0	108.3
48	E	34.2	Very low	35.2	Very low	169 Å²	169	139 Å²	139	79%	0.79	79%	0.786	S	S	*	*			trans	-117.5	132.1	177.9	-64.7	-177.8	131.5	0	0	109.2
49	S	37.8	Very low	35.4	Very low	122 Å²	122	140 Å²	140	85%	0.853	78%	0.782	S	S	*	*			trans	-162.9	133.4	161.3	-64.7	0	0	0	0	112
50	S	40.3	Very low	35.9	Very low	101 Å²	101	140.1 Å²	140.1	71%	0.706	78%	0.778	S	S	*	*			trans	34.6	117.7	160.7	-70.3	0	0	0	0	121.3
51	D	37.8	Very low	36.1	Very low	160 Å²	160	141.6 Å²	141.6	86%	0.856	78%	0.778	S	S	*	*				77.4	134.9	62.3	-66.8	-50.9	0	0	0	114.5
52	G	36.1	Very low	36.5	Very low	64 Å²	64	140.3 Å²	140.3	66%	0.66	78%	0.776	S	S	*	*				124.7	49.4	129.3	0	0	0	0	0	122.7
53	H	38.4	Very low	36.6	Very low	195 Å²	195	141.7 Å²	141.7	90%	0.903	78%	0.775	S	S	*	*			trans	69.9	152.1	146.1	-66.7	-76.3	0	0	0	123
54	H	34.2	Very low	36.5	Very low	173 Å²	173	144.5 Å²	144.5	80%	0.801	78%	0.782	S	S	*	*			trans	-59.5	164.4	158.1	-58.9	-63.6	0	0	0	111.1
55	D	36.3	Very low	36.9	Very low	145 Å²	145	141.4 Å²	141.4	78%	0.775	79%	0.785	S	S	*	*				-163.9	171.4	55.4	-123.7	-30.1	0	0	0	116.2
56	D	35.8	Very low	36.8	Very low	134 Å²	134	140.5 Å²	140.5	72%	0.717	78%	0.784	S	S	*	*			trans	9.4	129	164.9	-85.2	-26.7	0	0	0	121.7
57	S	40.8	Very low	36.9	Very low	124 Å²	124	142 Å²	142	87%	0.867	80%	0.796	S	S	*	*				-166.1	160	119.6	-81.4	0	0	0	0	112.7
58	L	38.8	Very low	36.5	Very low	155 Å²	155	142.3 Å²	142.3	81%	0.812	79%	0.792	S	S	*	*			trans	-104.2	-177.6	-163.2	-65.8	164.9	0	0	0	114.3
59	Q	39.2	Very low	36.4	Very low	155 Å²	155	144.8 Å²	144.8	72%	0.724	80%	0.796	S	S	*	*			trans	82.9	143.6	160.1	-51.2	-173.7	-99.4	0	0	117.4
60	E	38.7	Very low	36.3	Very low	137 Å²	137	144.7 Å²	144.7	64%	0.64	79%	0.786	S	S	*	*			cis	-165.9	143.1	-21.2	-114.4	149.3	-155.1	0	0	109.6
61	D	39.6	Very low	36.3	Very low	134 Å²	134	144.8 Å²	144.8	72%	0.717	78%	0.784	S	S	*	*			trans	55.2	156.5	146.8	-53.2	-15.3	0	0	0	124.9
62	N	36.4	Very low	36.1	Very low	135 Å²	135	144 Å²	144	72%	0.722	78%	0.78	S	S	*	*			trans	97.5	83.2	156	-47.5	-81.9	0	0	0	120.3
63	D	37.2	Very low	36.2	Very low	140 Å²	140	149.6 Å²	149.6	75%	0.749	79%	0.788	S	S	*	*				56.1	139.6	108.6	-55.1	-6.8	0	0	0	124.7
64	D	35	Very low	35.8	Very low	168 Å²	168	145.4 Å²	145.4	90%	0.898	78%	0.776	S	S	*	*			trans	61	130.2	147.7	-69.1	-15.5	0	0	0	123.3
65	G	37	Very low	35.8	Very low	81 Å²	81	145.2 Å²	145.2	84%	0.835	78%	0.78	S	S	*	*			trans	165.9	59.9	167.1	0	0	0	0	0	118.2
66	V	32.2	Very low	35.4	Very low	140 Å²	140	144.9 Å²	144.9	85%	0.848	78%	0.777	S	S	*	*			trans	-75.7	125.7	173.2	174.9	0	0	0	0	111.8
67	L	33.8	Very low	35.4	Very low	178 Å²	178	147.5 Å²	147.5	93%	0.932	78%	0.782	S	S	*	*			trans	-149.4	134.2	147.2	-81.4	-171.6	0	0	0	110.8
68	E	28	Very low	35.1	Very low	178 Å²	178	152 Å²	152	83%	0.832	78%	0.78	S	S	*	*			trans	-117	144.9	179.3	-180	177.5	-122.2	0	0	109.7
69	Y	32.2	Very low	34.9	Very low	222 Å²	222	150.2 Å²	150.2	87%	0.871	78%	0.778	S	S	*	*			trans	-159.9	122.3	172.3	-137.9	-91.6	0	0	0	112
70	D	34.9	Very low	34.8	Very low	120 Å²	120	148.7 Å²	148.7	64%	0.642	78%	0.782	S	S	*	*			trans	-138	136.5	171.3	179.1	48.7	0	0	0	110.4	N72	D70-N72 PolarHBondContact OD2-ND2 3.33Å
71	P	40.2	Very low	34.7	Very low	102 Å²	102	150.2 Å²	150.2	66%	0.662	79%	0.794	S	S	*	*			trans	-132.6	88.9	167.2	35.8	-18.2	0	0	0	112.7
72	N	32.9	Very low	34.4	Very low	143 Å²	143	150 Å²	150	77%	0.765	80%	0.797	S	S	*	*			trans	-59	145.4	162.7	-90.1	-83.5	0	0	0	112	D70	D70-N72 PolarHBondContact OD2-ND2 3.33Å
73	H	38.1	Very low	34.3	Very low	183 Å²	183	149.3 Å²	149.3	85%	0.847	79%	0.794	S	S	*	*			trans	-134.8	112.2	-179	-146.1	-59	0	0	0	114.2
74	T	30.1	Very low	34.4	Very low	106 Å²	106	150.2 Å²	150.2	65%	0.65	79%	0.791	S	S	*	*			trans	-79.9	144.9	-173	-40.1	0	0	0	0	114.1	L76	T74-L76 HydrophobicContact CG2-CG 4.21Å
75	I	34.5	Very low	34.4	Very low	169 Å²	169	148.9 Å²	148.9	87%	0.867	78%	0.784	S	S	*	*			trans	-134.7	137.2	154	-61.6	-173.7	0	0	0	109.7
76	L	28.4	Very low	34.1	Very low	139 Å²	139	150.3 Å²	150.3	73%	0.728	78%	0.782	S	S	*	*			trans	-116	169.9	-171.8	-81.4	159.9	0	0	0	113.2	T74	T74-L76 HydrophobicContact CG2-CG 4.21Å
77	K	35	Very low	34.2	Very low	189 Å²	189	149.1 Å²	149.1	82%	0.822	78%	0.777	S	S	*	*			trans	110	140	162.2	-60.9	151.3	-170.4	167.3	0	113.5
78	R	34.5	Very low	34.4	Very low	218 Å²	218	150.6 Å²	150.6	82%	0.823	78%	0.776	S	S	*	*			cis	-153.3	150.3	6.2	-169.9	169.4	-82.6	-158.8	-7.8	110.8
79	P	34.7	Very low	34.9	Very low	118 Å²	118	149.5 Å²	149.5	77%	0.766	77%	0.77	S	S	*	*			trans	-78.1	174.7	179.5	32.4	-38.1	0	0	0	115.1
80	P	38.3	Very low	35.2	Very low	123 Å²	123	148.9 Å²	148.9	80%	0.799	77%	0.772	S	S	*	*			trans	-101.9	172.3	-155.8	40.2	-37.4	0	0	0	116.6
81	D	36.5	Very low	35.1	Very low	168 Å²	168	149.9 Å²	149.9	90%	0.898	77%	0.773	S	S	*	*			trans	-111.2	149.3	170.8	-74.6	-59.6	0	0	0	112
82	T	31.6	Very low	34.7	Very low	129 Å²	129	157 Å²	157	79%	0.791	79%	0.787	S	S	*	*			trans	-102	138.9	177.3	48.7	0	0	0	0	112
83	D	35.3	Very low	34.8	Very low	121 Å²	121	158.2 Å²	158.2	65%	0.647	79%	0.785	S	S	*	*			trans	179.1	134.9	137.1	-104.4	-34	0	0	0	117.3
84	K	40	Very low	34.3	Very low	159 Å²	159	156.2 Å²	156.2	69%	0.691	79%	0.786	S	S	*	*			trans	66.5	139.8	135.9	-70.5	158.6	-172.5	133.3	0	123.8
85	N	34.3	Very low	34.3	Very low	140 Å²	140	156.5 Å²	156.5	75%	0.749	79%	0.791	S	S	*	*			trans	92.4	80.2	146.6	-63.7	-17.4	0	0	0	122
86	S	31.4	Very low	34.3	Very low	112 Å²	112	157.1 Å²	157.1	78%	0.783	79%	0.79	S	S	*	*				82	143.7	119.7	-63.3	0	0	0	0	121.3
87	P	34.1	Very low	34.3	Very low	115 Å²	115	158.2 Å²	158.2	75%	0.747	80%	0.797	S	S	*	*			trans	-97.5	167.5	-166.6	39.4	-37.7	0	0	0	114.6
88	K	37.2	Very low	34.3	Very low	209 Å²	209	155.2 Å²	155.2	91%	0.909	80%	0.799	S	S	*	*			trans	-122	111.6	159.4	-74.9	-176.6	178.3	175.7	0	110.3
89	Q	38.1	Very low	34.2	Very low	154 Å²	154	151.5 Å²	151.5	72%	0.72	80%	0.801	S	S	*	*			trans	-63.6	142.6	173.4	-64.3	168.6	-43.6	0	0	111.3	H91	Q89-H91 PolarHBondContact NE2-NE2 3.47Å
90	K	38.8	Very low	34.2	Very low	210 Å²	210	155.1 Å²	155.1	91%	0.913	81%	0.808	S	S	*	*			trans	-131.9	100.7	144.5	-77.9	-167.2	176.5	-178.2	0	108.5
91	H	32.3	Very low	33.8	Very low	141 Å²	141	155.4 Å²	155.4	65%	0.653	81%	0.807	S	S	*	*			trans	-63.8	136.1	173.6	-73.4	-89.2	0	0	0	110.8	Q89	Q89-H91 PolarHBondContact NE2-NE2 3.47Å
92	R	32.7	Very low	33.9	Very low	252 Å²	252	153.6 Å²	153.6	95%	0.951	80%	0.802	S	S	*	*			trans	-127.1	137.7	134.5	-140.1	171	-173.2	175.1	0.7	107.3
93	K	34.2	Very low	34.2	Very low	168 Å²	168	153 Å²	153	73%	0.73	80%	0.801	S	S	*	*			trans	-93	134	-158.6	-65.4	-178.9	177.6	-178.1	0	111.9
94	T	27.5	Very low	34.1	Very low	141 Å²	141	152.4 Å²	152.4	87%	0.865	80%	0.801	S	S	*	*			trans	-66.1	139.5	142	40.9	0	0	0	0	108.7
95	C	29.9	Very low	34.1	Very low	112 Å²	112	151.3 Å²	151.3	76%	0.757	81%	0.808	S	S	*	*			trans	-126.9	105.3	170.7	-79.7	0	0	0	0	108.8
96	Q	35.8	Very low	34.5	Very low	181 Å²	181	150.1 Å²	150.1	85%	0.846	81%	0.806	S	S	*	*			trans	-81	144.8	161.5	-69.6	171.8	-28	0	0	109.2
97	N	27.5	Very low	35	Very low	163 Å²	163	152.4 Å²	152.4	87%	0.872	80%	0.804	S	S	*	*			trans	34.5	108.2	152.8	-57.7	-3.3	0	0	0	119.4
98	S	35.2	Very low	35.1	Very low	125 Å²	125	152.6 Å²	152.6	87%	0.874	81%	0.807	S	S	*	*			trans	-152.5	129.8	140	55.8	0	0	0	0	110.8
99	T	32.2	Very low	35.6	Very low	140 Å²	140	148.3 Å²	148.3	86%	0.859	79%	0.793	S	S	*	*			trans	-81.7	129.3	179.6	48.5	0	0	0	0	112.1
100	E	35.1	Very low	36.1	Very low	195 Å²	195	145.5 Å²	145.5	91%	0.911	78%	0.783	S	S	*	*			trans	-158	164.6	150.4	-117.4	164.9	-154.9	0	0	110
101	T	30.4	Very low	36.5	Very low	128 Å²	128	141.7 Å²	141.7	79%	0.785	77%	0.773	S	S	*	*			trans	-123.5	-178.5	-155	50	0	0	0	0	114.2
102	V	39.2	Very low	37.1	Very low	130 Å²	130	141.8 Å²	141.8	79%	0.788	78%	0.777	S	S	*	*			trans	82.6	132	164.5	-169.6	0	0	0	0	116.3
103	P	37.5	Very low	37.9	Very low	118 Å²	118	135.7 Å²	135.7	77%	0.766	76%	0.759	S	S	*	*			cis	-133.6	-176.9	-30	38.7	-20.4	0	0	0	113.9
104	V	33.4	Very low	38.6	Very low	108 Å²	108	131.7 Å²	131.7	66%	0.655	75%	0.75	S	S	*	*			trans	-80.1	141.5	175.8	175	0	0	0	0	112.5	T106	V104-T106 HydrophobicContact CG1-CG2 3.98Å
105	T	38.5	Very low	39.3	Very low	136 Å²	136	128.5 Å²	128.5	83%	0.834	74%	0.737	S	S	*	*			trans	-94.5	120.9	157.4	45.6	0	0	0	0	110.6	E107	T105-E107 PolarHBondContact O-N 3.34Å
106	T	43.1	Very low	40.1	Very low	115 Å²	115	126.1 Å²	126.1	71%	0.706	73%	0.726	S	S	*	*	S	Bend	trans	-93.4	73.3	-162.7	53.1	0	0	0	0	113.4	V104	V104-T106 HydrophobicContact CG1-CG2 3.98Å
107	E	41.6	Very low	40.4	Very low	160 Å²	160	124.7 Å²	124.7	75%	0.748	72%	0.717	S	S	*	*	S	Bend	trans	-135.7	-39.8	177.7	-124.1	165.1	-175.8	0	0	115.4	T105 L109	T105-E107 PolarHBondContact O-N 3.34Å; E107-L109 PolarHBondContact O-N 2.95Å
108	C	37.8	Very low	41.3	Very low	119 Å²	119	124 Å²	124	80%	0.804	71%	0.713	S	S	*	*	H	α-helix	trans	-70.5	-29.8	-179.3	-74.7	0	0	0	0	115.1	N110	C108-N110 PolarHBondContact O-N 3.46Å
109	L	46.5	Very low	41.7	Very low	118 Å²	118	122.4 Å²	122.4	62%	0.618	71%	0.707	S	S	*	*	H	α-helix	trans	-70.5	-30.7	-175.3	-82.8	161	0	0	0	113.7	E107 N111 L112 Q113	E107-L109 PolarHBondContact O-N 2.95Å; L109-N111 VanDerWaalsContact C-N 3.32Å; L109-N111 PolarHBondContact O-N 3.5Å; L109-L112 PolarHBondContact O-N 2.98Å; L109-Q113 PolarHBondContact O-N 2.85Å
110	N	48.3	Very low	42.4	Very low	96 Å²	96	123.8 Å²	123.8	51%	0.513	70%	0.703	S	S	.	*	H	α-helix	trans	-68.3	-29.2	-173.1	-71.5	-23.5	0	0	0	113.3	C108 T114	C108-N110 PolarHBondContact O-N 3.46Å; N110-T114 WeakPolarHBondContact O-CB 3.38Å; N110-T114 VanDerWaalsContact O-CG2 3.31Å; N110-T114 WeakPolarHBondContact O-CG2 3.3Å; N110-T114 PolarHBondContact O-N 2.84Å; N110-T114 VanDerWaalsContact O-N 3.09Å; N110-T114 PolarHBondContact O-OG1 3.34Å
111	N	47.3	Very low	42.5	Very low	130 Å²	130	118.6 Å²	118.6	70%	0.695	69%	0.694	S	S	*	*	H	α-helix	trans	-76.6	-25.6	-178.9	-69.2	-16.2	0	0	0	113.3	L109 T114	L109-N111 VanDerWaalsContact C-N 3.32Å; L109-N111 PolarHBondContact O-N 3.5Å; N111-T114 PolarHBondContact O-OG1 3.3Å
112	L	45.1	Very low	42.8	Very low	143 Å²	143	117.4 Å²	117.4	75%	0.749	70%	0.697	S	S	*	*	H	α-helix	trans	-82.7	-35.6	175.3	-162.1	66	0	0	0	111.3	L109	L109-L112 PolarHBondContact O-N 2.98Å
113	Q	49.2	Very low	42.6	Very low	123 Å²	123	115.4 Å²	115.4	58%	0.575	69%	0.694	S	S	*	*	H	α-helix	trans	-81.1	-25.7	-177	-162.6	160.5	-16.6	0	0	113.6	L109	L109-Q113 PolarHBondContact O-N 2.85Å
114	T	49.6	Very low	42.5	Very low	85 Å²	85	116.8 Å²	116.8	52%	0.521	70%	0.7	S	S	.	*	H	α-helix	trans	-72.9	-32.2	172.4	44	0	0	0	0	113.2	N110 N111 A116 F117	N110-T114 WeakPolarHBondContact O-CB 3.38Å; N110-T114 VanDerWaalsContact O-CG2 3.31Å; N110-T114 WeakPolarHBondContact O-CG2 3.3Å; N110-T114 PolarHBondContact O-N 2.84Å; N110-T114 VanDerWaalsContact O-N 3.09Å; N110-T114 PolarHBondContact O-OG1 3.34Å; N111-T114 PolarHBondContact O-OG1 3.3Å; T114-A116 VanDerWaalsContact C-N 3.28Å; T114-A116 PolarHBondContact O-N 2.81Å; T114-F117 PolarHBondContact O-N 3.41Å
115	A	43.3	Very low	42.8	Very low	74 Å²	74	116.2 Å²	116.2	61%	0.612	71%	0.707	S	S	*	*	H	α-helix	trans	-62.7	-33.7	174.3	0	0	0	0	0	112.7
116	A	46.5	Very low	42.8	Very low	62 Å²	62	116.3 Å²	116.3	51%	0.512	71%	0.707	S	S	.	*	H	α-helix	trans	-74	-28.8	-179.4	0	0	0	0	0	114.2	T114	T114-A116 VanDerWaalsContact C-N 3.28Å; T114-A116 PolarHBondContact O-N 2.81Å
117	F	42.4	Very low	42.4	Very low	150 Å²	150	117.6 Å²	117.6	66%	0.658	72%	0.715	S	S	*	*	H	α-helix	trans	-84.1	-21.5	-170.7	-107.1	-87.3	0	0	0	115.1	T114 A119	T114-F117 PolarHBondContact O-N 3.41Å; F117-A119 VanDerWaalsContact C-N 3.3Å; F117-A119 PolarHBondContact O-N 3.4Å
118	L	46.3	Very low	42	Very low	150 Å²	150	114.6 Å²	114.6	79%	0.785	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.2	-9.6	-178.7	-75.6	168.6	0	0	0	114.2
119	A	43.6	Very low	42	Very low	90 Å²	90	113.4 Å²	113.4	74%	0.744	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.3	-6.7	-179.7	0	0	0	0	0	114.8	F117	F117-A119 VanDerWaalsContact C-N 3.3Å; F117-A119 PolarHBondContact O-N 3.4Å
120	Q	45.5	Very low	41.6	Very low	169 Å²	169	115.4 Å²	115.4	79%	0.79	73%	0.726	S	S	*	*	S	Bend	trans	-113.5	4.5	-171.4	-62.2	-171.7	-0.1	0	0	114.8
121	A	38.1	Very low	40.9	Very low	86 Å²	86	115.2 Å²	115.2	71%	0.711	73%	0.733	S	S	*	*			trans	-98.6	18.3	-166.7	0	0	0	0	0	116
122	A	37	Very low	40.7	Very low	103 Å²	103	115 Å²	115	85%	0.851	74%	0.742	S	S	*	*	S	Bend	trans	-116.5	35.2	-168.3	0	0	0	0	0	115.2
123	A	34.7	Very low	40.3	Very low	88 Å²	88	111.7 Å²	111.7	73%	0.727	74%	0.741	S	S	*	*			trans	-151.5	160.6	171.6	0	0	0	0	0	112.7
124	V	35.7	Very low	39.8	Very low	147 Å²	147	115.6 Å²	115.6	89%	0.891	76%	0.759	S	S	*	*			trans	72.4	67.9	169.6	-161.7	0	0	0	0	117
125	A	39.1	Very low	38.9	Very low	96 Å²	96	119.2 Å²	119.2	79%	0.793	78%	0.775	S	S	*	*			trans	-155.9	139.6	144.2	0	0	0	0	0	107.7
126	T	38.8	Very low	38.7	Very low	138 Å²	138	123 Å²	123	85%	0.847	78%	0.784	S	S	*	*			cis	-130.3	172	10.8	49	0	0	0	0	112.2
127	V	34.8	Very low	38	Very low	142 Å²	142	125.4 Å²	125.4	86%	0.861	79%	0.794	S	S	*	*			trans	-117.7	155.7	179.3	-178.4	0	0	0	0	110.5
128	A	33.2	Very low	37.8	Very low	97 Å²	97	124.6 Å²	124.6	80%	0.802	80%	0.801	S	S	*	*			trans	80.7	107.5	164.8	0	0	0	0	0	119.3
129	A	37.4	Very low	37.2	Very low	94 Å²	94	126.5 Å²	126.5	78%	0.777	80%	0.803	S	S	*	*			trans	-152.7	115.6	134.1	0	0	0	0	0	111.7
130	L	37.9	Very low	37	Very low	161 Å²	161	127.3 Å²	127.3	84%	0.843	80%	0.801	S	S	*	*			trans	35.9	100.7	137.4	-55	175.6	0	0	0	117.8
131	S	34	Very low	36.5	Very low	92 Å²	92	123.4 Å²	123.4	64%	0.643	79%	0.792	S	S	*	*				76.6	126.5	75.4	74	0	0	0	0	115.6
132	S	42.9	Very low	36.5	Very low	126 Å²	126	127.4 Å²	127.4	88%	0.881	80%	0.796	S	S	*	*			trans	71.4	126.7	-179.8	-42.2	0	0	0	0	114.3
133	G	36	Very low	36.7	Very low	72 Å²	72	128.6 Å²	128.6	74%	0.742	79%	0.793	S	S	*	*			cis	114.2	81	-6.3	0	0	0	0	0	114.5
134	Q	38.5	Very low	37	Very low	205 Å²	205	129.6 Å²	129.6	96%	0.958	79%	0.792	S	S	*	*			trans	-163.3	161.2	152.8	-111.8	158.2	1.9	0	0	112
135	L	31	Very low	37.1	Very low	162 Å²	162	128.8 Å²	128.8	85%	0.848	79%	0.79	S	S	*	*			trans	-97.5	157.9	-168.9	-66.8	151.3	0	0	0	112.4
136	I	38.5	Very low	37.3	Very low	154 Å²	154	132.3 Å²	132.3	79%	0.79	79%	0.793	S	S	*	*				170.2	128.2	122.8	-85.9	153	0	0	0	109.7
137	P	32.8	Very low	37.1	Very low	112 Å²	112	129.9 Å²	129.9	73%	0.727	79%	0.787	S	S	*	*			trans	-98.1	156.3	175.1	37.4	-33.4	0	0	0	113.4
138	V	38.1	Very low	37.6	Very low	132 Å²	132	128.7 Å²	128.7	80%	0.8	78%	0.782	S	S	*	*			trans	-142.3	126.9	172.4	-178.3	0	0	0	0	110.7
139	F	32.7	Very low	37.8	Very low	190 Å²	190	132.9 Å²	132.9	83%	0.833	79%	0.791	S	S	*	*			trans	-100.5	158.2	168.9	-78.8	-87.5	0	0	0	110.7
140	P	40.7	Very low	37.7	Very low	108 Å²	108	131.3 Å²	131.3	70%	0.701	78%	0.784	S	S	*	*				-137.8	163.4	96.3	33.2	-15.9	0	0	0	112
141	S	35.2	Very low	37.5	Very low	87 Å²	87	132.2 Å²	132.2	61%	0.608	79%	0.788	S	S	*	*			cis	77	133.5	34.5	110.9	0	0	0	0	113.3
142	E	37.1	Very low	37.7	Very low	170 Å²	170	133 Å²	133	79%	0.794	79%	0.794	S	S	*	*			cis	-126.7	-146.6	-2.5	-98.6	135.5	-93	0	0	109.7
143	T	40.8	Very low	37.2	Very low	128 Å²	128	133.9 Å²	133.9	79%	0.785	79%	0.788	S	S	*	*			cis	-154.2	160.7	18.2	47.6	0	0	0	0	112
144	P	41.9	Very low	37.2	Very low	108 Å²	108	136.5 Å²	136.5	70%	0.701	79%	0.792	S	S	*	*			trans	-93.3	168.9	-165.5	37.6	-38.1	0	0	0	116.4
145	P	37.5	Very low	36.9	Very low	131 Å²	131	131.5 Å²	131.5	85%	0.851	78%	0.775	S	S	*	*			trans	-76.7	156.7	177.1	32.1	-36.9	0	0	0	114.3
146	I	43.5	Very low	36.9	Very low	169 Å²	169	131 Å²	131	87%	0.867	77%	0.772	S	S	*	*			trans	-112.7	144.6	-176.5	-62.2	175.2	0	0	0	111.7
147	A	35	Very low	36.7	Very low	87 Å²	87	129 Å²	129	72%	0.719	77%	0.769	S	S	*	*			trans	-147.3	-173.9	173.3	0	0	0	0	0	109.2
148	P	44.3	Very low	36.5	Very low	117 Å²	117	130.9 Å²	130.9	76%	0.76	77%	0.773	S	S	*	*				-130.1	157.3	-64.8	37.3	-24.4	0	0	0	113.9
149	L	38	Very low	36.5	Very low	186 Å²	186	132.3 Å²	132.3	97%	0.974	77%	0.771	S	S	*	*			trans	-149.4	148.1	163.5	-64.7	174.4	0	0	0	107.8
150	G	35	Very low	36.3	Very low	61 Å²	61	130.3 Å²	130.3	63%	0.629	77%	0.769	S	S	*	*			cis	165.4	157.2	-5.8	0	0	0	0	0	110.4
151	L	34.8	Very low	35.9	Very low	179 Å²	179	134.4 Å²	134.4	94%	0.937	78%	0.776	S	S	*	*			trans	70.2	149.6	178.2	-47.4	171	0	0	0	116.3
152	S	36.6	Very low	35.6	Very low	109 Å²	109	135.4 Å²	135.4	76%	0.762	78%	0.778	S	S	*	*			cis	-166.5	151.4	-28.4	48.8	0	0	0	0	110.4
153	L	33.1	Very low	35.6	Very low	145 Å²	145	135.8 Å²	135.8	76%	0.759	78%	0.78	S	S	*	*			trans	-79.7	164.1	-179.4	-151.4	73.2	0	0	0	112.9	T155	L153-T155 WeakPolarHBondContact CD2-OG1 3.13Å
154	P	36.9	Very low	35.2	Very low	126 Å²	126	135.1 Å²	135.1	82%	0.818	78%	0.776	S	S	*	*				-151.4	125.9	100	36.5	-17.4	0	0	0	118.3
155	T	30.8	Very low	35	Very low	101 Å²	101	137 Å²	137	62%	0.62	79%	0.786	S	S	*	*			trans	8.8	118.7	130.5	-51.8	0	0	0	0	121.7	L153	L153-T155 WeakPolarHBondContact CD2-OG1 3.13Å
156	I	32	Very low	34.8	Very low	152 Å²	152	136.8 Å²	136.8	78%	0.779	78%	0.782	S	S	*	*				44.5	126.4	122.9	-61.3	172.3	0	0	0	118
157	P	34.5	Very low	34.5	Very low	110 Å²	110	133.9 Å²	133.9	71%	0.714	78%	0.783	S	S	*	*				-145.2	164.6	78.3	39.6	-21.7	0	0	0	119.3
158	N	27.8	Very low	34.5	Very low	152 Å²	152	135.4 Å²	135.4	81%	0.813	78%	0.784	S	S	*	*			trans	-75.2	137	163.4	-67.5	-43.1	0	0	0	110
159	E	38.1	Very low	34.2	Very low	163 Å²	163	137.2 Å²	137.2	76%	0.762	79%	0.786	S	S	*	*			trans	-130.1	134.9	158.5	-77.1	-62.2	164.2	0	0	109.2
160	N	28	Very low	34.2	Very low	147 Å²	147	137.8 Å²	137.8	79%	0.786	78%	0.78	S	S	*	*			trans	-93.3	129.4	169.7	-61.2	-94.4	0	0	0	107.3
161	F	33	Very low	34	Very low	194 Å²	194	139.5 Å²	139.5	85%	0.851	79%	0.789	S	S	*	*			trans	-135.1	140	156.2	-108.5	-81.9	0	0	0	112.9
162	T	28.9	Very low	34	Very low	108 Å²	108	137.3 Å²	137.3	66%	0.663	78%	0.783	S	S	*	*			trans	-99.6	141.3	-179.2	49.7	0	0	0	0	110.3
163	E	37.9	Very low	33.9	Very low	178 Å²	178	140.8 Å²	140.8	83%	0.832	79%	0.787	S	S	*	*			trans	-171	121.8	131.9	-100.1	153.9	-154.2	0	0	107.2
164	T	30.8	Very low	34	Very low	114 Å²	114	143.3 Å²	143.3	70%	0.699	80%	0.795	S	S	*	*				74	98	64.1	-55.9	0	0	0	0	112.5
165	T	38.3	Very low	33.8	Very low	148 Å²	148	141.6 Å²	141.6	91%	0.908	79%	0.786	S	S	*	*			trans	-155	121.7	142	-4.2	0	0	0	0	110.1
166	T	32.8	Very low	33.7	Very low	126 Å²	126	143.2 Å²	143.2	77%	0.773	79%	0.791	S	S	*	*			trans	-99.9	142.5	-177.9	48.7	0	0	0	0	111.6
167	A	37.9	Very low	33.7	Very low	108 Å²	108	142.3 Å²	142.3	89%	0.893	79%	0.792	S	S	*	*			trans	-136.9	77.1	166.8	0	0	0	0	0	111.2
168	T	34.2	Very low	33.5	Very low	119 Å²	119	141.5 Å²	141.5	73%	0.73	79%	0.789	S	S	*	*			trans	-76.9	149.5	170.4	-34.5	0	0	0	0	110.4
169	I	39.4	Very low	33.7	Very low	156 Å²	156	142.2 Å²	142.2	80%	0.8	79%	0.79	S	S	*	*			trans	-162.8	110.7	138.6	-102.9	148.4	0	0	0	112.5
170	K	36.5	Very low	33.8	Very low	198 Å²	198	138.9 Å²	138.9	86%	0.861	78%	0.782	S	S	*	*			trans	53.4	154.9	140.3	-56.8	-174.6	176.4	-176.7	0	122.5
171	A	32.7	Very low	33.9	Very low	97 Å²	97	138.2 Å²	138.2	80%	0.802	78%	0.778	S	S	*	*			trans	-133.1	162.9	175.3	0	0	0	0	0	111
172	T	34.5	Very low	33.8	Very low	132 Å²	132	138.7 Å²	138.7	81%	0.81	78%	0.775	S	S	*	*			trans	-156.3	116.6	163.4	37.5	0	0	0	0	103.6
173	E	34	Very low	34.2	Very low	183 Å²	183	141.5 Å²	141.5	86%	0.855	79%	0.786	S	S	*	*				48.7	102.7	67.3	-65.3	-171.1	-168.3	0	0	112.6
174	E	36.1	Very low	33.8	Very low	198 Å²	198	141 Å²	141	93%	0.925	78%	0.781	S	S	*	*				-174.2	154.2	120	-101.7	176.2	-151.8	0	0	113.3
175	S	32	Very low	34.1	Very low	89 Å²	89	142.5 Å²	142.5	62%	0.622	79%	0.789	S	S	*	*			trans	-78.2	171.7	-159.9	59.8	0	0	0	0	119.2
176	N	28.7	Very low	33.6	Very low	136 Å²	136	140.6 Å²	140.6	73%	0.727	77%	0.774	S	S	*	*			trans	92.4	134.1	135.7	-77	-29.7	0	0	0	123
177	T	32.4	Very low	33.6	Very low	133 Å²	133	143 Å²	143	82%	0.816	78%	0.781	S	S	*	*			trans	68.7	150.8	149.5	54.7	0	0	0	0	120.6
178	S	28.8	Very low	33.1	Very low	93 Å²	93	142.3 Å²	142.3	65%	0.65	77%	0.769	S	S	*	*			cis	-173	147.1	-26.3	-165.1	0	0	0	0	111.3
179	M	33.7	Very low	33.3	Very low	167 Å²	167	142.4 Å²	142.4	82%	0.823	77%	0.772	S	S	*	*			trans	65.3	168.8	155.7	-70.2	-84.1	137.5	0	0	118.1
180	P	39.7	Very low	32.8	Very low	92 Å²	92	141.9 Å²	141.9	60%	0.597	78%	0.776	S	S	*	*			cis	-139.1	177.4	-42.6	37.5	-22.5	0	0	0	114.9
181	N	30.4	Very low	32.6	Very low	133 Å²	133	136.7 Å²	136.7	71%	0.711	77%	0.771	S	S	*	*			trans	68.7	157.7	148.4	-88.5	-25.9	0	0	0	117.4
182	R	31	Very low	32.6	Very low	205 Å²	205	140.8 Å²	140.8	77%	0.774	77%	0.77	S	S	*	*			cis	-155.2	136.6	-9.5	-142.1	164	-169.1	177	1.8	108
183	N	35.7	Very low	32.5	Very low	167 Å²	167	142.6 Å²	142.6	89%	0.893	77%	0.769	S	S	*	*				-171.1	143.4	126.8	-99.1	-18.2	0	0	0	110.8
184	K	30.1	Very low	32.5	Very low	168 Å²	168	143 Å²	143	73%	0.73	77%	0.771	S	S	*	*			trans	-154.9	111.4	-169.3	-177.2	178.2	-174.7	175.6	0	108.5
185	V	38	Very low	32.1	Very low	145 Å²	145	140.1 Å²	140.1	88%	0.879	76%	0.762	S	S	*	*			trans	-122.6	94.5	171	-176.9	0	0	0	0	107.4
186	N	26.2	Very low	32.3	Very low	107 Å²	107	141.6 Å²	141.6	57%	0.572	77%	0.77	S	S	*	*			trans	-72.8	153.3	159.7	-68.4	4.5	0	0	0	108.2
187	L	33.3	Very low	32.2	Very low	176 Å²	176	141.4 Å²	141.4	92%	0.921	77%	0.769	S	S	*	*				-154.1	149.8	127.1	-105.1	163.4	0	0	0	108.5
188	S	28.7	Very low	32	Very low	94 Å²	94	141 Å²	141	66%	0.657	77%	0.766	S	S	*	*			trans	-126.7	166	-159.1	-54.5	0	0	0	0	111
189	P	37	Very low	32.1	Very low	121 Å²	121	140.8 Å²	140.8	79%	0.786	77%	0.77	S	S	*	*			trans	-89.4	163.2	-156.3	35.1	-36.5	0	0	0	114.5
190	T	28.5	Very low	31.9	Very low	145 Å²	145	141.1 Å²	141.1	89%	0.89	77%	0.771	S	S	*	*			trans	-169.8	127	150.4	2.4	0	0	0	0	111.4
191	A	32.5	Very low	31.5	Very low	90 Å²	90	147.8 Å²	147.8	74%	0.744	79%	0.785	S	S	*	*			trans	159.5	121.4	131.3	0	0	0	0	0	113.4
192	K	34.2	Very low	31.3	Very low	183 Å²	183	144.6 Å²	144.6	80%	0.796	78%	0.783	S	S	*	*			trans	51.7	107.7	143.4	-60.7	179.7	-179.8	-179.8	0	118.1
193	Q	31.2	Very low	31.3	Very low	169 Å²	169	142.9 Å²	142.9	79%	0.79	79%	0.788	S	S	*	*				59.5	100.9	83.6	-67.9	177.1	-55.1	0	0	114
194	Q	34.3	Very low	30.8	Very low	192 Å²	192	140.6 Å²	140.6	90%	0.897	79%	0.786	S	S	*	*				-172.5	133.2	103.7	-100.4	165.7	-13.1	0	0	111.8
195	N	28	Very low	31.1	Very low	137 Å²	137	138.4 Å²	138.4	73%	0.733	79%	0.791	S	S	*	*			trans	-81.8	156.3	157.6	-161.8	-1	0	0	0	107.2	N197	N195-N197 PolarHBondContact OD1-N 3.1Å
196	P	35.9	Very low	30.6	Very low	120 Å²	120	138.5 Å²	138.5	78%	0.779	79%	0.787	S	S	*	*				-142.2	138.9	105.9	36.2	-23	0	0	0	115.1
197	N	26.4	Very low	31	Very low	132 Å²	132	141.1 Å²	141.1	71%	0.706	80%	0.801	S	S	*	*			trans	-81.9	160.5	154.2	-166.9	-1.8	0	0	0	109	N195	N195-N197 PolarHBondContact OD1-N 3.1Å
198	V	28.5	Very low	31	Very low	126 Å²	126	137.2 Å²	137.2	76%	0.764	79%	0.788	S	S	*	*			trans	65.2	111.2	170.2	-170.2	0	0	0	0	117.6
199	A	31	Very low	31.4	Very low	87 Å²	87	139.5 Å²	139.5	72%	0.719	79%	0.793	S	S	*	*			trans	-156.6	106.9	150.2	0	0	0	0	0	111.8
200	M	28.6	Very low	31.5	Very low	175 Å²	175	138.2 Å²	138.2	86%	0.862	79%	0.793	S	S	*	*			trans	-82.7	116.7	179.6	170.9	-169	70.1	0	0	111.6
201	W	31.8	Very low	32.1	Very low	232 Å²	232	139.1 Å²	139.1	88%	0.879	79%	0.792	S	S	*	*			trans	-143.2	131.6	164.6	-62.1	76.7	0	0	0	108.9
202	G	25.5	Very low	32.3	Very low	65 Å²	65	142 Å²	142	67%	0.67	80%	0.795	S	S	*	*			cis	123.2	38.9	-1.8	0	0	0	0	0	114.7
203	L	31.6	Very low	32.5	Very low	169 Å²	169	141 Å²	141	89%	0.885	80%	0.799	S	S	*	*			trans	-134.5	96.3	174.1	-73.5	177.3	0	0	0	111.9
204	S	26.4	Very low	32.9	Very low	120 Å²	120	142 Å²	142	84%	0.839	80%	0.803	S	S	*	*			trans	-105	132.4	152.1	-66.9	0	0	0	0	108.1
205	S	36.4	Very low	33.2	Very low	121 Å²	121	136.7 Å²	136.7	85%	0.846	80%	0.8	S	S	*	*			trans	-162	131	156.7	-81.1	0	0	0	0	109.6
206	N	27.4	Very low	33.8	Very low	147 Å²	147	135.5 Å²	135.5	79%	0.786	81%	0.81	S	S	*	*			trans	-78.4	160.9	168.5	-48.8	-52	0	0	0	109.1
207	N	34	Very low	34	Very low	163 Å²	163	133.5 Å²	133.5	87%	0.872	81%	0.81	S	S	*	*				-177.1	172.9	115.6	-87.4	-11.8	0	0	0	111
208	S	34.2	Very low	34.5	Very low	94 Å²	94	136.2 Å²	136.2	66%	0.657	82%	0.819	S	S	*	*			trans	-96.5	-158.4	-170.1	53.5	0	0	0	0	112.9
209	D	36.2	Very low	35.1	Very low	141 Å²	141	138.3 Å²	138.3	75%	0.754	83%	0.826	S	S	*	*			trans	81.3	97.9	166.2	-41.8	-17.2	0	0	0	112.2
210	A	39.5	Very low	35.8	Very low	94 Å²	94	141.5 Å²	141.5	78%	0.777	83%	0.831	S	S	*	*			cis	75.8	107.4	47	0	0	0	0	0	114
211	D	41.6	Very low	36.4	Very low	164 Å²	164	141.4 Å²	141.4	88%	0.877	83%	0.828	S	S	*	*			trans	-160.4	162.4	147.4	-109.1	-32	0	0	0	109.7
212	N	36.6	Very low	36.8	Very low	152 Å²	152	139.5 Å²	139.5	81%	0.813	83%	0.829	S	S	*	*			trans	-114.1	159.4	-167.9	-44.4	-90.3	0	0	0	112.2
213	D	38	Very low	37.5	Very low	162 Å²	162	140 Å²	140	87%	0.866	83%	0.834	S	S	*	*			trans	-153.3	160.4	133.9	-148.1	-10.5	0	0	0	111.2
214	E	40	Very low	37.7	Very low	188 Å²	188	139.4 Å²	139.4	88%	0.879	83%	0.832	S	S	*	*			trans	-106.9	166.1	-171.9	-60.8	-175.4	159	0	0	113.1
215	G	40.5	Very low	38.4	Very low	82 Å²	82	137.2 Å²	137.2	85%	0.845	82%	0.821	S	S	*	*			trans	175.9	80.9	176.6	0	0	0	0	0	114.4
216	A	39.2	Very low	38.7	Very low	112 Å²	112	137.8 Å²	137.8	93%	0.926	82%	0.819	S	S	*	*			trans	-92.4	155.1	175.8	0	0	0	0	0	112.7
217	G	41.9	Very low	39.3	Very low	77 Å²	77	137.7 Å²	137.7	79%	0.794	82%	0.819	S	S	*	*			trans	-172.4	117.2	173.2	0	0	0	0	0	110.9
218	E	35.9	Very low	39.4	Very low	190 Å²	190	137.7 Å²	137.7	89%	0.888	82%	0.819	S	S	*	*			trans	-107.5	-151.1	179.4	-62	178.2	145.9	0	0	109.9
219	D	41.2	Very low	39.7	Very low	169 Å²	169	139.3 Å²	139.3	90%	0.904	82%	0.82	S	S	*	*			trans	73.9	155.9	-169.3	-56.8	-25.3	0	0	0	115.5
220	D	44.5	Very low	39.5	Very low	154 Å²	154	142.5 Å²	142.5	82%	0.824	83%	0.828	S	S	*	*				-148.2	-171.9	-105.1	-157.2	-9.1	0	0	0	110.7
221	E	42.1	Very low	39.6	Very low	173 Å²	173	145.9 Å²	145.9	81%	0.808	83%	0.827	S	S	*	*			trans	70.3	156.4	166.9	-63.8	-178.4	177.6	0	0	118.3
222	E	39.5	Very low	39.2	Very low	193 Å²	193	146.2 Å²	146.2	90%	0.902	82%	0.823	S	S	*	*			cis	-158	132.6	-38	-174.7	-179.7	-141	0	0	106.3
223	G	41.6	Very low	39.1	Very low	75 Å²	75	143.2 Å²	143.2	77%	0.773	81%	0.814	S	S	*	*			trans	-138.3	-1.4	-149.9	0	0	0	0	0	122.1
224	N	36.1	Very low	39	Very low	156 Å²	156	143.7 Å²	143.7	83%	0.834	81%	0.808	S	S	*	*			trans	55.9	98.1	163.5	-164.2	28.4	0	0	0	121.4
225	A	40.1	Very low	39.2	Very low	74 Å²	74	138.8 Å²	138.8	61%	0.612	79%	0.794	S	S	*	*			trans	73.4	144.4	138.5	0	0	0	0	0	124.1
226	T	43.5	Very low	39.1	Very low	133 Å²	133	143.9 Å²	143.9	82%	0.816	79%	0.788	S	S	*	*			trans	59.1	125.8	167.6	53.4	0	0	0	0	117
227	D	38.9	Very low	39.2	Very low	146 Å²	146	144.2 Å²	144.2	78%	0.781	77%	0.77	S	S	*	*			cis	-150.6	158.8	32.3	-133.4	-22.2	0	0	0	114.9	N229	D227-N229 PolarHBondContact O-N 2.87Å; D227-N229 VanDerWaalsContact O-N 3.11Å
228	N	36	Very low	39	Very low	163 Å²	163	147.4 Å²	147.4	87%	0.872	76%	0.758	S	S	*	*			trans	-80.5	87.7	-175.9	-73.2	-63.7	0	0	0	112.6
229	N	41	Very low	39.5	Very low	127 Å²	127	145.7 Å²	145.7	68%	0.679	75%	0.75	S	S	*	*			trans	-148.2	19	174.6	-126.9	-33.2	0	0	0	116.7	D227 H231	D227-N229 PolarHBondContact O-N 2.87Å; D227-N229 VanDerWaalsContact O-N 3.11Å; N229-H231 VanDerWaalsContact C-N 3.29Å; N229-H231 PolarHBondContact O-N 3.45Å
230	F	33	Very low	39.8	Very low	209 Å²	209	144.9 Å²	144.9	92%	0.917	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.7	62.7	-177.2	-163.8	-102	0	0	0	113.7
231	H	40.8	Very low	40.5	Very low	164 Å²	164	142.9 Å²	142.9	76%	0.759	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-142.1	-1	170.4	-128.7	-95	0	0	0	115.6	N229	N229-H231 VanDerWaalsContact C-N 3.29Å; N229-H231 PolarHBondContact O-N 3.45Å
232	Q	32.7	Very low	41.4	Very low	171 Å²	171	139.9 Å²	139.9	80%	0.799	71%	0.709	S	S	*	*	S	Bend	trans	-113.9	49.2	-166.2	-157.2	167.5	14.6	0	0	114.8
233	C	34.1	Very low	42.8	Very low	90 Å²	90	133 Å²	133	61%	0.608	68%	0.678	S	S	*	*			trans	-140.2	-1	172.3	-119.1	0	0	0	0	117.5	S235 R236	C233-S235 PolarHBondContact O-N 3.38Å; C233-R236 PolarHBondContact O-N 2.88Å
234	K	36.9	Very low	44.4	Very low	172 Å²	172	134.2 Å²	134.2	75%	0.748	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.9	-0.6	-179.5	-69.5	-173.2	178.1	178.8	0	115.4
235	S	42.6	Very low	46.2	Very low	84 Å²	84	126.8 Å²	126.8	59%	0.587	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.3	-24.9	177.5	-62.1	0	0	0	0	114.4	C233 R238	C233-S235 PolarHBondContact O-N 3.38Å; S235-R238 PolarHBondContact OG-NH2 3.46Å
236	R	38.8	Very low	47.7	Very low	190 Å²	190	128.4 Å²	128.4	72%	0.717	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.4	-13.7	-178.3	-85.9	-179.3	163.4	170.6	-4.8	114.9	C233	C233-R236 PolarHBondContact O-N 2.88Å
237	E	42.2	Very low	49.1	Very low	118 Å²	118	126.7 Å²	126.7	55%	0.551	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.3	-20.9	177.9	-131.8	63.5	-117.4	0	0	113.3	E239 K240	E237-E239 VanDerWaalsContact C-N 3.34Å; E237-E239 PolarHBondContact O-N 3.41Å; E237-K240 PolarHBondContact O-N 3Å; E237-K240 IonicContact OE1-NZ 2.81Å; E237-K240 PolarHBondContact OE1-NZ 3.4Å
238	R	38.5	Very low	50.8	Low	144 Å²	144	121.8 Å²	121.8	54%	0.543	60%	0.597	S	S	.	*	G	3₁₀ helix	trans	-73.1	-21.5	-173	-87.1	-177.5	-79.5	-145.7	-0.5	114.6	S235 K240 Q241	S235-R238 PolarHBondContact OG-NH2 3.46Å; R238-K240 PolarHBondContact O-N 3.22Å; R238-K240 VanDerWaalsContact O-N 3.11Å; R238-Q241 PolarHBondContact O-N 3.12Å
239	E	45	Very low	52.6	Low	154 Å²	154	118.7 Å²	118.7	72%	0.72	59%	0.587	S	S	*	*	G	3₁₀ helix	trans	-62.6	-18.3	178.1	-65.5	171.8	170.6	0	0	112.6	E237	E237-E239 VanDerWaalsContact C-N 3.34Å; E237-E239 PolarHBondContact O-N 3.41Å
240	K	48.6	Very low	54.1	Low	152 Å²	152	118 Å²	118	66%	0.661	58%	0.578	S	S	*	*	G	3₁₀ helix	trans	-84.6	-0.8	179.3	-62	169.9	-176.2	167.8	0	114.7	E237 R238	E237-K240 PolarHBondContact O-N 3Å; E237-K240 IonicContact OE1-NZ 2.81Å; E237-K240 PolarHBondContact OE1-NZ 3.4Å; R238-K240 PolarHBondContact O-N 3.22Å; R238-K240 VanDerWaalsContact O-N 3.11Å
241	Q	58.5	Low	55.8	Low	113 Å²	113	112.8 Å²	112.8	53%	0.528	56%	0.564	S	S	.	*	G	3₁₀ helix	trans	-93.8	-13.4	-176.7	-67.3	-172.7	-19.6	0	0	114.5	R238 R254	R238-Q241 PolarHBondContact O-N 3.12Å; Q241-R254 PolarHBondContact O-N 3.31Å
242	F	60.6	Low	57.3	Low	110 Å²	110	106.2 Å²	106.2	48%	0.482	53%	0.533	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	140.5	177.9	-61.1	-89.8	0	0	0	110.9	M252 R253	F242-M252 CarbonylContact C-O 3.54Å; F242-M252 VanDerWaalsContact CA-O 3.28Å; F242-M252 WeakPolarHBondContact CA-O 3.36Å; F242-R253 HydrophobicContact CD1-CG 4.39Å; F242-R253 HydrophobicContact CE1-CG 4.03Å
243	I	70.2	Confident	59.2	Low	48 Å²	48	105.8 Å²	105.8	25%	0.246	52%	0.524	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	141.4	173.9	-56.2	-176.9	0	0	0	107.9	M252 R254 L257	I243-M252 PolarHBondContact N-O 3.4Å; I243-M252 PolarHBondContact O-N 2.65Å; I243-R254 HydrophobicContact CD1-CB 3.96Å; I243-R254 HydrophobicContact CD1-CG 3.61Å; I243-R254 HydrophobicContact CG1-CB 4.35Å; I243-L257 HydrophobicContact CB-CD2 3.99Å; I243-L257 HydrophobicContact CD1-CD2 4.13Å; I243-L257 HydrophobicContact CG2-CD2 3.66Å
244	N	74.3	Confident	60.9	Low	100 Å²	100	110.2 Å²	110.2	54%	0.535	53%	0.528	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	131.4	176.8	-61.8	8.2	0	0	0	109.7	K250 T251	N244-K250 WeakPolarHBondContact CA-O 3.33Å; N244-T251 VanDerWaalsContact OD1-CG2 3.26Å; N244-T251 WeakPolarHBondContact OD1-CG2 3.47Å
245	C	73.9	Confident	62.4	Low	1 Å²	1	104.9 Å²	104.9	1%	0.007	52%	0.522	C	S	.	.			trans	-57.2	125.3	168.5	168.7	0	0	0	0	111	V247 C248 C249 K250 H260 M261 H264	C245-V247 VanDerWaalsContact C-N 3.25Å; C245-V247 PolarHBondContact O-N 2.98Å; C245-V247 PolarHBondContact SG-N 3.38Å; C245-V247 VanDerWaalsContact SG-N 3.36Å; C245-C248 PolarHBondContact SG-N 2.97Å; C245-C248 VanDerWaalsContact SG-SG 3.65Å; C245-C249 WeakPolarHBondContact O-CA 3.32Å; C245-C249 PolarHBondContact O-N 3.16Å; C245-K250 PolarHBondContact N-O 3.44Å; C245-H260 WeakPolarHBondContact CB-NE2 3.47Å; C245-H260 VanDerWaalsContact SG-CD2 3.54Å; C245-H260 PolarHBondContact SG-NE2 2.85Å; C245-M261 HydrophobicContact CB-CE 4.11Å; C245-M261 WeakPolarHBondContact SG-CE 3.08Å; C245-H264 PolarHBondContact SG-NE2 3.08Å
246	P	71.7	Confident	64	Low	108 Å²	108	102.5 Å²	102.5	70%	0.701	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-13.6	179.1	28.7	-35.6	0	0	0	114.4	M261	P246-M261 HydrophobicContact CG-CE 4.37Å; P246-M261 HydrophobicContact CG-SD 4.12Å
247	V	72.3	Confident	65.7	Low	96 Å²	96	94.9 Å²	94.9	58%	0.582	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	-44.2	-176.1	-173.4	0	0	0	0	112.4	C245 H264	C245-V247 VanDerWaalsContact C-N 3.25Å; C245-V247 PolarHBondContact O-N 2.98Å; C245-V247 PolarHBondContact SG-N 3.38Å; C245-V247 VanDerWaalsContact SG-N 3.36Å; V247-H264 WeakPolarHBondContact CG1-ND1 3.49Å
248	C	75.7	Confident	67	Low	43 Å²	43	98.6 Å²	98.6	29%	0.291	49%	0.488	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.5	18.9	-177.8	77.8	0	0	0	0	114.1	C245 K250 H260 H264	C245-C248 PolarHBondContact SG-N 2.97Å; C245-C248 VanDerWaalsContact SG-SG 3.65Å; C248-K250 PolarHBondContact O-N 2.75Å; C248-H260 PolarHBondContact SG-NE2 2.74Å; C248-H264 VanDerWaalsContact SG-CE1 3.58Å
249	C	72.4	Confident	68.5	Low	98 Å²	98	94.9 Å²	94.9	66%	0.662	48%	0.477	S	S	*	.			trans	58.2	3.7	171.4	-61	0	0	0	0	117.9	C245 T251	C245-C249 WeakPolarHBondContact O-CA 3.32Å; C245-C249 PolarHBondContact O-N 3.16Å; C249-T251 PolarHBondContact O-N 2.97Å
250	K	72.5	Confident	70	Confident	112 Å²	112	88 Å²	88	49%	0.487	45%	0.445	S	S	.	.			trans	-61.4	128.7	177.4	-71.5	-168.5	177.1	-165.9	0	111.2	N244 C245 C248	N244-K250 WeakPolarHBondContact CA-O 3.33Å; C245-K250 PolarHBondContact N-O 3.44Å; C248-K250 PolarHBondContact O-N 2.75Å
251	T	69.6	Low	71	Confident	101 Å²	101	83.4 Å²	83.4	62%	0.62	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.5	123.2	172.7	45.2	0	0	0	0	110.1	N244 C249	N244-T251 VanDerWaalsContact OD1-CG2 3.26Å; N244-T251 WeakPolarHBondContact OD1-CG2 3.47Å; C249-T251 PolarHBondContact O-N 2.97Å
252	M	72.4	Confident	71.6	Confident	26 Å²	26	81.3 Å²	81.3	13%	0.128	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	163.2	179.7	68.3	-151.5	-46.1	0	0	113.9	F242 I243 L257 H260	F242-M252 CarbonylContact C-O 3.54Å; F242-M252 VanDerWaalsContact CA-O 3.28Å; F242-M252 WeakPolarHBondContact CA-O 3.36Å; I243-M252 PolarHBondContact N-O 3.4Å; I243-M252 PolarHBondContact O-N 2.65Å; M252-L257 HydrophobicContact CG-CB 4.36Å; M252-L257 HydrophobicContact CG-CD1 4.4Å; M252-L257 HydrophobicContact SD-CD1 4.2Å; M252-H260 HydrophobicContact CE-CB 3.36Å; M252-H260 HydrophobicContact SD-CB 3.45Å; M252-H260 WeakPolarHBondContact SD-CB 3.31Å; M252-H260 PolarHBondContact SD-CD2 2.9Å
253	R	71.6	Confident	72	Confident	161 Å²	161	78.9 Å²	78.9	61%	0.608	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.9	145.6	179.2	-67.7	-178.6	-176.2	157.6	5.7	111.3	F242 G255 S256 L257	F242-R253 HydrophobicContact CD1-CG 4.39Å; F242-R253 HydrophobicContact CE1-CG 4.03Å; R253-G255 PolarHBondContact O-N 3.42Å; R253-S256 PolarHBondContact O-N 3.15Å; R253-L257 PolarHBondContact O-N 3.03Å; R253-L257 VanDerWaalsContact O-N 3.16Å
254	R	70.1	Confident	72	Confident	183 Å²	183	79 Å²	79	69%	0.691	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-25	-178	-175.1	165.7	-165.1	133.3	1.9	115.3	Q241 I243	Q241-R254 PolarHBondContact O-N 3.31Å; I243-R254 HydrophobicContact CD1-CB 3.96Å; I243-R254 HydrophobicContact CD1-CG 3.61Å; I243-R254 HydrophobicContact CG1-CB 4.35Å
255	G	67.9	Low	71.7	Confident	60 Å²	60	77.8 Å²	77.8	62%	0.619	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-62.1	171.9	0	0	0	0	0	112	R253 L257 R258	R253-G255 PolarHBondContact O-N 3.42Å; G255-L257 PolarHBondContact O-N 3.31Å; G255-R258 PolarHBondContact O-N 3Å; G255-R258 VanDerWaalsContact O-N 3.12Å
256	S	76.5	Confident	70.9	Confident	34 Å²	34	79.3 Å²	79.3	24%	0.238	42%	0.417	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-17.5	-178.8	-32.5	0	0	0	0	114	R253 R258 E259 H260	R253-S256 PolarHBondContact O-N 3.15Å; S256-R258 VanDerWaalsContact C-N 3.27Å; S256-R258 PolarHBondContact O-N 2.9Å; S256-E259 PolarHBondContact O-N 2.84Å; S256-H260 VanDerWaalsContact O-CB 3.3Å; S256-H260 WeakPolarHBondContact O-CB 3.33Å; S256-H260 PolarHBondContact O-N 3.45Å
257	L	74.3	Confident	70.3	Confident	30 Å²	30	78.4 Å²	78.4	16%	0.157	41%	0.414	C	S	.	.	H	α-helix	trans	-57.9	-34.7	173.1	-177.2	66.2	0	0	0	113	I243 M252 R253 G255 H260 M261	I243-L257 HydrophobicContact CB-CD2 3.99Å; I243-L257 HydrophobicContact CD1-CD2 4.13Å; I243-L257 HydrophobicContact CG2-CD2 3.66Å; M252-L257 HydrophobicContact CG-CB 4.36Å; M252-L257 HydrophobicContact CG-CD1 4.4Å; M252-L257 HydrophobicContact SD-CD1 4.2Å; R253-L257 PolarHBondContact O-N 3.03Å; R253-L257 VanDerWaalsContact O-N 3.16Å; G255-L257 PolarHBondContact O-N 3.31Å; L257-H260 PolarHBondContact O-N 3.18Å; L257-M261 HydrophobicContact CD1-CE 4.11Å; L257-M261 HydrophobicContact CD1-CG 4.37Å; L257-M261 HydrophobicContact CG-CG 4.37Å; L257-M261 VanDerWaalsContact O-CG 3.28Å; L257-M261 WeakPolarHBondContact O-CG 3.23Å; L257-M261 PolarHBondContact O-N 2.77Å
258	R	70.3	Confident	69.6	Low	196 Å²	196	75.4 Å²	75.4	74%	0.74	40%	0.402	S	S	*	.	H	α-helix	trans	-66.5	-55.6	178.8	178.4	172.5	-74.2	173.9	-3.7	110.8	G255 S256 H260 M261 D262	G255-R258 PolarHBondContact O-N 3Å; G255-R258 VanDerWaalsContact O-N 3.12Å; S256-R258 VanDerWaalsContact C-N 3.27Å; S256-R258 PolarHBondContact O-N 2.9Å; R258-H260 PolarHBondContact O-N 3.37Å; R258-H260 VanDerWaalsContact O-N 3.14Å; R258-M261 CarbonylContact O-C 3.55Å; R258-M261 WeakPolarHBondContact O-CA 3.31Å; R258-M261 WeakPolarHBondContact O-CB 3.39Å; R258-M261 PolarHBondContact O-N 3.29Å; R258-D262 PolarHBondContact O-N 3.19Å; R258-D262 VanDerWaalsContact O-OD2 3.09Å
259	E	69.5	Low	69.1	Low	66 Å²	66	79.9 Å²	79.9	31%	0.308	42%	0.417	S	S	.	.	H	α-helix	trans	-58.1	-29.1	177.4	-173.7	-80	162.3	0	0	111.8	S256 D262 R263 R281	S256-E259 PolarHBondContact O-N 2.84Å; E259-D262 WeakPolarHBondContact O-CB 3.31Å; E259-R263 WeakPolarHBondContact O-CG 3.29Å; E259-R263 PolarHBondContact O-N 2.15Å; E259-R263 IonicContact OE1-CZ 3.13Å; E259-R263 IonicContact OE1-NE 2.9Å; E259-R263 PolarHBondContact OE1-NE 2.8Å; E259-R263 IonicContact OE1-NH2 3.1Å; E259-R263 IonicContact OE2-CZ 2.66Å; E259-R263 IonicContact OE2-NE 2.86Å; E259-R263 PolarHBondContact OE2-NE 3.3Å; E259-R263 IonicContact OE2-NH2 3.52Å; E259-R263 PolarHBondContact OE2-NH2 2.74Å; E259-R281 IonicContact OE1-CZ 2.73Å; E259-R281 IonicContact OE1-NE 3.88Å; E259-R281 PolarHBondContact OE1-NE 3.49Å; E259-R281 IonicContact OE1-NH2 3.71Å; E259-R281 PolarHBondContact OE1-NH2 2.94Å
260	H	77.4	Confident	68.9	Low	10 Å²	10	78.5 Å²	78.5	5%	0.046	40%	0.399	C	S	.	.	H	α-helix	trans	-75.8	-37.8	171	-174.1	71.1	0	0	0	114.7	C245 C248 M252 S256 L257 R258 D262 R263 H264	C245-H260 WeakPolarHBondContact CB-NE2 3.47Å; C245-H260 VanDerWaalsContact SG-CD2 3.54Å; C245-H260 PolarHBondContact SG-NE2 2.85Å; C248-H260 PolarHBondContact SG-NE2 2.74Å; M252-H260 HydrophobicContact CE-CB 3.36Å; M252-H260 HydrophobicContact SD-CB 3.45Å; M252-H260 WeakPolarHBondContact SD-CB 3.31Å; M252-H260 PolarHBondContact SD-CD2 2.9Å; S256-H260 VanDerWaalsContact O-CB 3.3Å; S256-H260 WeakPolarHBondContact O-CB 3.33Å; S256-H260 PolarHBondContact O-N 3.45Å; L257-H260 PolarHBondContact O-N 3.18Å; R258-H260 PolarHBondContact O-N 3.37Å; R258-H260 VanDerWaalsContact O-N 3.14Å; H260-D262 PolarHBondContact O-N 2.95Å; H260-R263 WeakPolarHBondContact O-CB 3.43Å; H260-R263 PolarHBondContact O-N 3.42Å; H260-R263 VanDerWaalsContact O-N 3.13Å; H260-H264 AromaticContact CD2-CD2 3.97Å; H260-H264 AromaticContact CD2-NE2 3.63Å; H260-H264 AromaticContact CE1-NE2 3.5Å; H260-H264 PolarHBondContact CE1-NE2 3.38Å; H260-H264 AromaticContact NE2-CD2 3.8Å; H260-H264 AromaticContact NE2-NE2 3Å; H260-H264 PolarHBondContact NE2-NE2 3.39Å; H260-H264 PolarHBondContact O-CD2 3.37Å; H260-H264 PolarHBondContact O-N 3.24Å
261	M	70	Confident	69.1	Low	55 Å²	55	78.9 Å²	78.9	27%	0.271	40%	0.401	S	S	.	.	H	α-helix	trans	-62.5	-36.4	168.4	-70.7	-64.1	94	0	0	110.7	C245 P246 L257 R258 R263 H264 A265	C245-M261 HydrophobicContact CB-CE 4.11Å; C245-M261 WeakPolarHBondContact SG-CE 3.08Å; P246-M261 HydrophobicContact CG-CE 4.37Å; P246-M261 HydrophobicContact CG-SD 4.12Å; L257-M261 HydrophobicContact CD1-CE 4.11Å; L257-M261 HydrophobicContact CD1-CG 4.37Å; L257-M261 HydrophobicContact CG-CG 4.37Å; L257-M261 VanDerWaalsContact O-CG 3.28Å; L257-M261 WeakPolarHBondContact O-CG 3.23Å; L257-M261 PolarHBondContact O-N 2.77Å; R258-M261 CarbonylContact O-C 3.55Å; R258-M261 WeakPolarHBondContact O-CA 3.31Å; R258-M261 WeakPolarHBondContact O-CB 3.39Å; R258-M261 PolarHBondContact O-N 3.29Å; M261-R263 VanDerWaalsContact C-N 3.34Å; M261-H264 WeakPolarHBondContact O-CA 3.5Å; M261-H264 WeakPolarHBondContact O-CB 3.19Å; M261-H264 PolarHBondContact O-N 3.15Å; M261-A265 PolarHBondContact O-N 3.48Å
262	D	71.2	Confident	69.7	Low	70 Å²	70	74.1 Å²	74.1	37%	0.374	37%	0.372	S	S	.	.	H	α-helix	trans	-64.2	-36.5	171	-65.7	-46.8	0	0	0	111.2	R258 E259 H260 H264 A265 N266	R258-D262 PolarHBondContact O-N 3.19Å; R258-D262 VanDerWaalsContact O-OD2 3.09Å; E259-D262 WeakPolarHBondContact O-CB 3.31Å; H260-D262 PolarHBondContact O-N 2.95Å; D262-H264 PolarHBondContact O-N 3.29Å; D262-A265 PolarHBondContact O-N 3.24Å; D262-N266 WeakPolarHBondContact O-CA 3.24Å; D262-N266 WeakPolarHBondContact O-CB 3.28Å; D262-N266 PolarHBondContact O-N 3.03Å; D262-N266 PolarHBondContact O-ND2 3.45Å
263	R	67.2	Low	69.9	Low	59 Å²	59	77.7 Å²	77.7	22%	0.223	39%	0.392	C	S	.	.	H	α-helix	trans	-60.7	-26.2	169.7	-75.6	-178	-91.7	173.6	-7.7	113.8	E259 H260 M261	E259-R263 WeakPolarHBondContact O-CG 3.29Å; E259-R263 PolarHBondContact O-N 2.15Å; E259-R263 IonicContact OE1-CZ 3.13Å; E259-R263 IonicContact OE1-NE 2.9Å; E259-R263 PolarHBondContact OE1-NE 2.8Å; E259-R263 IonicContact OE1-NH2 3.1Å; E259-R263 IonicContact OE2-CZ 2.66Å; E259-R263 IonicContact OE2-NE 2.86Å; E259-R263 PolarHBondContact OE2-NE 3.3Å; E259-R263 IonicContact OE2-NH2 3.52Å; E259-R263 PolarHBondContact OE2-NH2 2.74Å; H260-R263 WeakPolarHBondContact O-CB 3.43Å; H260-R263 PolarHBondContact O-N 3.42Å; H260-R263 VanDerWaalsContact O-N 3.13Å; M261-R263 VanDerWaalsContact C-N 3.34Å
264	H	71.1	Confident	70.2	Confident	50 Å²	50	73.3 Å²	73.3	23%	0.231	39%	0.39	C	S	.	.	H	α-helix	trans	-82.2	-47.3	170	-65.5	-70.6	0	0	0	112.3	C245 V247 C248 H260 M261 D262 N266 S267	C245-H264 PolarHBondContact SG-NE2 3.08Å; V247-H264 WeakPolarHBondContact CG1-ND1 3.49Å; C248-H264 VanDerWaalsContact SG-CE1 3.58Å; H260-H264 AromaticContact CD2-CD2 3.97Å; H260-H264 AromaticContact CD2-NE2 3.63Å; H260-H264 AromaticContact CE1-NE2 3.5Å; H260-H264 PolarHBondContact CE1-NE2 3.38Å; H260-H264 AromaticContact NE2-CD2 3.8Å; H260-H264 AromaticContact NE2-NE2 3Å; H260-H264 PolarHBondContact NE2-NE2 3.39Å; H260-H264 PolarHBondContact O-CD2 3.37Å; H260-H264 PolarHBondContact O-N 3.24Å; M261-H264 WeakPolarHBondContact O-CA 3.5Å; M261-H264 WeakPolarHBondContact O-CB 3.19Å; M261-H264 PolarHBondContact O-N 3.15Å; D262-H264 PolarHBondContact O-N 3.29Å; H264-N266 PolarHBondContact O-N 3.02Å; H264-S267 VanDerWaalsContact O-CB 3.3Å; H264-S267 WeakPolarHBondContact O-CB 3.26Å; H264-S267 PolarHBondContact O-N 3.25Å; H264-S267 PolarHBondContact O-OG 3.4Å
265	A	67.3	Low	70.7	Confident	74 Å²	74	66.6 Å²	66.6	61%	0.612	37%	0.37	S	S	*	.	H	α-helix	trans	-67.2	-23	179.1	0	0	0	0	0	113.5	M261 D262	M261-A265 PolarHBondContact O-N 3.48Å; D262-A265 PolarHBondContact O-N 3.24Å
266	N	58.6	Low	71.1	Confident	33 Å²	33	71.8 Å²	71.8	18%	0.176	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	13	178.8	-53.9	-25.7	0	0	0	112.6	D262 H264 G268 K269	D262-N266 WeakPolarHBondContact O-CA 3.24Å; D262-N266 WeakPolarHBondContact O-CB 3.28Å; D262-N266 PolarHBondContact O-N 3.03Å; D262-N266 PolarHBondContact O-ND2 3.45Å; H264-N266 PolarHBondContact O-N 3.02Å; N266-G268 PolarHBondContact O-N 2.93Å; N266-K269 HydrophobicContact CB-CD 4Å; N266-K269 HydrophobicContact CB-CG 4.31Å; N266-K269 PolarHBondContact O-N 2.89Å; N266-K269 VanDerWaalsContact OD1-CD 3.32Å; N266-K269 WeakPolarHBondContact OD1-CD 3.47Å; N266-K269 WeakPolarHBondContact OD1-CE 3.42Å; N266-K269 PolarHBondContact OD1-NZ 3.37Å
267	S	58.2	Low	71	Confident	89 Å²	89	76 Å²	76	62%	0.622	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	53.4	179.2	61.3	0	0	0	0	113.4	H264	H264-S267 VanDerWaalsContact O-CB 3.3Å; H264-S267 WeakPolarHBondContact O-CB 3.26Å; H264-S267 PolarHBondContact O-N 3.25Å; H264-S267 PolarHBondContact O-OG 3.4Å
268	G	58.6	Low	71.2	Confident	33 Å²	33	78.5 Å²	78.5	34%	0.34	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	170.1	-21.2	-171.1	0	0	0	0	0	114.9	N266 F270 T278	N266-G268 PolarHBondContact O-N 2.93Å; G268-F270 PolarHBondContact O-N 3.29Å; G268-T278 WeakPolarHBondContact O-CG2 3.43Å
269	K	65.3	Low	71.5	Confident	138 Å²	138	71.5 Å²	71.5	60%	0.6	38%	0.384	S	S	*	.	S	Bend	trans	-66	-36.8	-164.9	-75.5	-174	-179.2	171.5	0	114.7	N266 K271	N266-K269 HydrophobicContact CB-CD 4Å; N266-K269 HydrophobicContact CB-CG 4.31Å; N266-K269 PolarHBondContact O-N 2.89Å; N266-K269 VanDerWaalsContact OD1-CD 3.32Å; N266-K269 WeakPolarHBondContact OD1-CD 3.47Å; N266-K269 WeakPolarHBondContact OD1-CE 3.42Å; N266-K269 PolarHBondContact OD1-NZ 3.37Å; K269-K271 PolarHBondContact O-N 3.42Å
270	F	67.7	Low	71.8	Confident	68 Å²	68	70.7 Å²	70.7	30%	0.298	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	79.4	-175.8	-57.2	-74.1	0	0	0	110.9	G268 F279 R281 A282 R285	G268-F270 PolarHBondContact O-N 3.29Å; F270-F279 HydrophobicContact CB-CB 4.24Å; F270-F279 WeakPolarHBondContact CB-O 3.32Å; F270-F279 PolarHBondContact N-O 2.61Å; F270-F279 WeakPolarHBondContact O-CD2 3.42Å; F270-F279 PolarHBondContact O-N 2.77Å; F270-R281 VanDerWaalsContact CD2-C 3.45Å; F270-A282 HydrophobicContact CD1-CB 3.88Å; F270-A282 HydrophobicContact CE1-CB 3.64Å; F270-A282 HydrophobicContact CE2-CB 4.37Å; F270-A282 HydrophobicContact CG-CB 4.35Å; F270-A282 HydrophobicContact CZ-CB 3.9Å; F270-R285 HydrophobicContact CB-CB 3.9Å
271	K	76.9	Confident	71.7	Confident	121 Å²	121	75 Å²	75	53%	0.526	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	144.3	172.6	63.7	171.9	-175.6	160.8	0	111.8	K269 D273 K277 T278 R285	K269-K271 PolarHBondContact O-N 3.42Å; K271-D273 WeakPolarHBondContact CE-OD1 3.46Å; K271-D273 IonicContact NZ-OD1 2.65Å; K271-K277 CarbonylContact C-O 3.51Å; K271-K277 WeakPolarHBondContact CA-O 3.32Å; K271-T278 HydrophobicContact CB-CG2 4.34Å; K271-R285 VanDerWaalsContact O-CD 3.23Å; K271-R285 WeakPolarHBondContact O-CD 3.41Å; K271-R285 PolarHBondContact O-NE 3.31Å
272	C	81.9	Confident	72.2	Confident	1 Å²	1	75 Å²	75	1%	0.007	41%	0.41	C	S	.	.			trans	-92.3	113.7	169.6	179.2	0	0	0	0	110.2	A274 C275 E276 K277 F279 H288 H292	C272-A274 PolarHBondContact O-N 3.37Å; C272-C275 PolarHBondContact O-N 3.14Å; C272-C275 VanDerWaalsContact O-N 3.07Å; C272-E276 WeakPolarHBondContact O-CA 3.43Å; C272-E276 PolarHBondContact O-N 2.81Å; C272-K277 PolarHBondContact N-O 2.85Å; C272-F279 HydrophobicContact CB-CE2 4.09Å; C272-H288 PolarHBondContact SG-CD2 2.85Å; C272-H292 PolarHBondContact SG-NE2 3.06Å
273	D	77.4	Confident	72.7	Confident	100 Å²	100	75 Å²	75	54%	0.535	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-13.3	-170.8	-50.3	-82.5	0	0	0	113.8	K271 R285	K271-D273 WeakPolarHBondContact CE-OD1 3.46Å; K271-D273 IonicContact NZ-OD1 2.65Å; D273-R285 IonicContact OD2-CZ 2.87Å; D273-R285 IonicContact OD2-NE 3.12Å; D273-R285 IonicContact OD2-NH2 3.62Å; D273-R285 PolarHBondContact OD2-NH2 3.46Å
274	A	77.5	Confident	73.3	Confident	70 Å²	70	73.7 Å²	73.7	58%	0.579	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-10.6	174.2	0	0	0	0	0	115.3	C272 H292	C272-A274 PolarHBondContact O-N 3.37Å; A274-H292 HydrophobicContact CB-CB 4.36Å
275	C	80.1	Confident	73.8	Confident	41 Å²	41	75.2 Å²	75.2	28%	0.277	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-158.9	16.2	178.6	69.7	0	0	0	0	115.8	C272 K277 H288 H292	C272-C275 PolarHBondContact O-N 3.14Å; C272-C275 VanDerWaalsContact O-N 3.07Å; C275-K277 PolarHBondContact O-N 2.62Å; C275-H288 PolarHBondContact SG-NE2 2.6Å; C275-H292 WeakPolarHBondContact CB-CE1 3.36Å; C275-H292 PolarHBondContact SG-CE1 3.37Å; C275-H292 PolarHBondContact SG-NE2 3.13Å
276	E	76.5	Confident	74.5	Confident	170 Å²	170	75.1 Å²	75.1	79%	0.794	41%	0.408	S	S	*	.			trans	58.9	-1.9	175.4	-55.9	-174.8	152.1	0	0	117	C272 T278	C272-E276 WeakPolarHBondContact O-CA 3.43Å; C272-E276 PolarHBondContact O-N 2.81Å; E276-T278 PolarHBondContact O-N 3.4Å
277	K	75.2	Confident	75.5	Confident	121 Å²	121	78.4 Å²	78.4	53%	0.526	42%	0.421	S	S	.	.			trans	-56.9	127.8	175.8	-69.2	179.7	-174.6	177.9	0	111.4	K271 C272 C275 F279	K271-K277 CarbonylContact C-O 3.51Å; K271-K277 WeakPolarHBondContact CA-O 3.32Å; C272-K277 PolarHBondContact N-O 2.85Å; C275-K277 PolarHBondContact O-N 2.62Å; K277-F279 HydrophobicContact CB-CE2 3.72Å; K277-F279 HydrophobicContact CB-CZ 4Å; K277-F279 WeakPolarHBondContact O-CD2 3.31Å; K277-F279 WeakPolarHBondContact O-CE2 3.48Å
278	T	77.7	Confident	76.7	Confident	84 Å²	84	75.3 Å²	75.3	52%	0.515	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	140.3	177.5	48.6	0	0	0	0	111.8	G268 K271 E276	G268-T278 WeakPolarHBondContact O-CG2 3.43Å; K271-T278 HydrophobicContact CB-CG2 4.34Å; E276-T278 PolarHBondContact O-N 3.4Å
279	F	77	Confident	77.8	Confident	48 Å²	48	75.7 Å²	75.7	21%	0.211	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	150.2	177.9	-61.2	-89.5	0	0	0	110.2	F270 C272 K277 A284 R285 H288	F270-F279 HydrophobicContact CB-CB 4.24Å; F270-F279 WeakPolarHBondContact CB-O 3.32Å; F270-F279 PolarHBondContact N-O 2.61Å; F270-F279 WeakPolarHBondContact O-CD2 3.42Å; F270-F279 PolarHBondContact O-N 2.77Å; C272-F279 HydrophobicContact CB-CE2 4.09Å; K277-F279 HydrophobicContact CB-CE2 3.72Å; K277-F279 HydrophobicContact CB-CZ 4Å; K277-F279 WeakPolarHBondContact O-CD2 3.31Å; K277-F279 WeakPolarHBondContact O-CE2 3.48Å; F279-A284 HydrophobicContact CB-CB 4.17Å; F279-A284 HydrophobicContact CD1-CB 4.02Å; F279-A284 HydrophobicContact CG-CB 4.4Å; F279-R285 HydrophobicContact CB-CB 4.29Å; F279-R285 HydrophobicContact CD2-CB 4.06Å; F279-R285 HydrophobicContact CG-CB 4.35Å; F279-H288 HydrophobicContact CE1-CB 4.01Å; F279-H288 HydrophobicContact CE2-CB 4.04Å; F279-H288 AromaticContact CE2-CD2 3.34Å; F279-H288 WeakPolarHBondContact CE2-CD2 3.31Å; F279-H288 AromaticContact CE2-CG 3.78Å; F279-H288 HydrophobicContact CZ-CB 3.58Å; F279-H288 AromaticContact CZ-CD2 3.34Å; F279-H288 WeakPolarHBondContact CZ-CD2 3.33Å; F279-H288 AromaticContact CZ-CG 3.32Å
280	S	75.8	Confident	78.7	Confident	49 Å²	49	71.8 Å²	71.8	34%	0.343	37%	0.372	S	S	.	.	S	Bend	trans	-83.8	-20.6	-178.7	51.8	0	0	0	0	114.1
281	R	75.7	Confident	79.3	Confident	102 Å²	102	71.3 Å²	71.3	39%	0.385	38%	0.375	S	S	.	.	S	Bend	trans	-129	143.4	177.9	-67.8	179.4	174.9	166.7	-7.2	110.2	E259 F270 S283 A284 R285	E259-R281 IonicContact OE1-CZ 2.73Å; E259-R281 IonicContact OE1-NE 3.88Å; E259-R281 PolarHBondContact OE1-NE 3.49Å; E259-R281 IonicContact OE1-NH2 3.71Å; E259-R281 PolarHBondContact OE1-NH2 2.94Å; F270-R281 VanDerWaalsContact CD2-C 3.45Å; R281-S283 VanDerWaalsContact C-N 3.32Å; R281-S283 PolarHBondContact O-N 3.05Å; R281-A284 HydrophobicContact CB-CB 4.42Å; R281-A284 WeakPolarHBondContact O-CB 3.46Å; R281-A284 PolarHBondContact O-N 3.06Å; R281-A284 VanDerWaalsContact O-N 3.11Å; R281-R285 PolarHBondContact O-N 2.8Å
282	A	79.3	Confident	79.6	Confident	53 Å²	53	70 Å²	70	44%	0.438	37%	0.371	S	S	.	.	H	α-helix	trans	-59.5	-41.8	178	0	0	0	0	0	112.3	F270 A284 R285 E286	F270-A282 HydrophobicContact CD1-CB 3.88Å; F270-A282 HydrophobicContact CE1-CB 3.64Å; F270-A282 HydrophobicContact CE2-CB 4.37Å; F270-A282 HydrophobicContact CG-CB 4.35Å; F270-A282 HydrophobicContact CZ-CB 3.9Å; A282-A284 PolarHBondContact O-N 2.75Å; A282-R285 WeakPolarHBondContact O-CB 3.3Å; A282-R285 PolarHBondContact O-N 3.43Å; A282-R285 VanDerWaalsContact O-N 3.11Å; A282-E286 PolarHBondContact O-N 3.4Å
283	S	81.1	Confident	79.5	Confident	70 Å²	70	73.5 Å²	73.5	49%	0.49	39%	0.392	S	S	.	.	H	α-helix	trans	-60.7	-27.9	176.3	55.7	0	0	0	0	113.5	R281 K287	R281-S283 VanDerWaalsContact C-N 3.32Å; R281-S283 PolarHBondContact O-N 3.05Å; S283-K287 WeakPolarHBondContact O-CB 3.45Å; S283-K287 VanDerWaalsContact O-CG 3.26Å; S283-K287 WeakPolarHBondContact O-CG 3.26Å; S283-K287 PolarHBondContact O-N 2.96Å
284	A	79.6	Confident	79.6	Confident	33 Å²	33	70.5 Å²	70.5	27%	0.273	39%	0.385	S	S	.	.	H	α-helix	trans	-76.3	-39.2	174.1	0	0	0	0	0	112.2	F279 R281 A282 E286 H288	F279-A284 HydrophobicContact CB-CB 4.17Å; F279-A284 HydrophobicContact CD1-CB 4.02Å; F279-A284 HydrophobicContact CG-CB 4.4Å; R281-A284 HydrophobicContact CB-CB 4.42Å; R281-A284 WeakPolarHBondContact O-CB 3.46Å; R281-A284 PolarHBondContact O-N 3.06Å; R281-A284 VanDerWaalsContact O-N 3.11Å; A282-A284 PolarHBondContact O-N 2.75Å; A284-E286 VanDerWaalsContact C-N 3.31Å; A284-H288 VanDerWaalsContact O-CB 3.27Å; A284-H288 WeakPolarHBondContact O-CB 3.35Å; A284-H288 PolarHBondContact O-N 3.36Å
285	R	82.9	Confident	79.7	Confident	81 Å²	81	72.3 Å²	72.3	31%	0.306	38%	0.381	S	S	.	.	H	α-helix	trans	-59.1	-43.9	168.4	171.6	-176.5	179.3	-103.7	8.1	110.5	F270 K271 D273 F279 R281 A282 H288 I289	F270-R285 HydrophobicContact CB-CB 3.9Å; K271-R285 VanDerWaalsContact O-CD 3.23Å; K271-R285 WeakPolarHBondContact O-CD 3.41Å; K271-R285 PolarHBondContact O-NE 3.31Å; D273-R285 IonicContact OD2-CZ 2.87Å; D273-R285 IonicContact OD2-NE 3.12Å; D273-R285 IonicContact OD2-NH2 3.62Å; D273-R285 PolarHBondContact OD2-NH2 3.46Å; F279-R285 HydrophobicContact CB-CB 4.29Å; F279-R285 HydrophobicContact CD2-CB 4.06Å; F279-R285 HydrophobicContact CG-CB 4.35Å; R281-R285 PolarHBondContact O-N 2.8Å; A282-R285 WeakPolarHBondContact O-CB 3.3Å; A282-R285 PolarHBondContact O-N 3.43Å; A282-R285 VanDerWaalsContact O-N 3.11Å; R285-H288 CarbonylContact O-C 3.46Å; R285-H288 WeakPolarHBondContact O-CA 3.47Å; R285-H288 WeakPolarHBondContact O-CB 3.24Å; R285-H288 PolarHBondContact O-N 3.32Å; R285-H288 VanDerWaalsContact O-N 3.17Å; R285-I289 HydrophobicContact CG-CD1 3.79Å; R285-I289 HydrophobicContact CG-CG1 4.32Å; R285-I289 WeakPolarHBondContact O-CG1 3.36Å; R285-I289 PolarHBondContact O-N 2.47Å
286	E	80.7	Confident	79.8	Confident	72 Å²	72	75 Å²	75	34%	0.336	39%	0.385	S	S	.	.	H	α-helix	trans	-67.6	-50	-179.5	176.2	44	-138.2	0	0	112.7	A282 A284 H288 I289 R290	A282-E286 PolarHBondContact O-N 3.4Å; A284-E286 VanDerWaalsContact C-N 3.31Å; E286-H288 PolarHBondContact O-N 3.47Å; E286-I289 PolarHBondContact O-N 2.8Å; E286-R290 PolarHBondContact O-N 2.88Å; E286-R290 IonicContact OE1-CZ 2.71Å; E286-R290 IonicContact OE1-NE 3.48Å; E286-R290 PolarHBondContact OE1-NE 3.34Å; E286-R290 IonicContact OE1-NH2 3.51Å; E286-R290 PolarHBondContact OE1-NH2 2.88Å
287	K	81	Confident	80.1	Confident	103 Å²	103	70.3 Å²	70.3	45%	0.448	37%	0.37	S	S	.	.	H	α-helix	trans	-54.7	-27.3	170.2	-73.4	175.6	-177.5	-177.9	0	111.9	S283	S283-K287 WeakPolarHBondContact O-CB 3.45Å; S283-K287 VanDerWaalsContact O-CG 3.26Å; S283-K287 WeakPolarHBondContact O-CG 3.26Å; S283-K287 PolarHBondContact O-N 2.96Å
288	H	82.9	Confident	80.5	Confident	24 Å²	24	68.7 Å²	68.7	11%	0.111	36%	0.361	C	S	.	.	H	α-helix	trans	-84.1	-34.7	173.9	175.8	56.5	0	0	0	114.8	C272 C275 F279 A284 R285 E286 R290 T291 H292	C272-H288 PolarHBondContact SG-CD2 2.85Å; C275-H288 PolarHBondContact SG-NE2 2.6Å; F279-H288 HydrophobicContact CE1-CB 4.01Å; F279-H288 HydrophobicContact CE2-CB 4.04Å; F279-H288 AromaticContact CE2-CD2 3.34Å; F279-H288 WeakPolarHBondContact CE2-CD2 3.31Å; F279-H288 AromaticContact CE2-CG 3.78Å; F279-H288 HydrophobicContact CZ-CB 3.58Å; F279-H288 AromaticContact CZ-CD2 3.34Å; F279-H288 WeakPolarHBondContact CZ-CD2 3.33Å; F279-H288 AromaticContact CZ-CG 3.32Å; A284-H288 VanDerWaalsContact O-CB 3.27Å; A284-H288 WeakPolarHBondContact O-CB 3.35Å; A284-H288 PolarHBondContact O-N 3.36Å; R285-H288 CarbonylContact O-C 3.46Å; R285-H288 WeakPolarHBondContact O-CA 3.47Å; R285-H288 WeakPolarHBondContact O-CB 3.24Å; R285-H288 PolarHBondContact O-N 3.32Å; R285-H288 VanDerWaalsContact O-N 3.17Å; E286-H288 PolarHBondContact O-N 3.47Å; H288-R290 PolarHBondContact O-N 3.48Å; H288-T291 PolarHBondContact CE1-OG1 3.33Å; H288-T291 PolarHBondContact ND1-OG1 3.44Å; H288-T291 WeakPolarHBondContact O-CA 3.26Å; H288-T291 VanDerWaalsContact O-CB 3.25Å; H288-T291 WeakPolarHBondContact O-CB 3.47Å; H288-T291 WeakPolarHBondContact O-CG2 3.12Å; H288-T291 PolarHBondContact O-N 3.47Å; H288-T291 PolarHBondContact O-OG1 2.88Å; H288-H292 AromaticContact CD2-NE2 3.27Å; H288-H292 PolarHBondContact CD2-NE2 3.47Å; H288-H292 VanDerWaalsContact CD2-NE2 3.27Å; H288-H292 AromaticContact CE1-NE2 2.9Å; H288-H292 PolarHBondContact CE1-NE2 3.3Å; H288-H292 AromaticContact NE2-CD2 3.79Å; H288-H292 AromaticContact NE2-NE2 2.26Å; H288-H292 PolarHBondContact NE2-NE2 3.14Å
289	I	81.8	Confident	80.7	Confident	40 Å²	40	72 Å²	72	21%	0.205	37%	0.369	C	S	.	.	H	α-helix	trans	-59.9	-35.2	178.5	-77.6	166.8	0	0	0	110.9	R285 E286 T291 H292 T293	R285-I289 HydrophobicContact CG-CD1 3.79Å; R285-I289 HydrophobicContact CG-CG1 4.32Å; R285-I289 WeakPolarHBondContact O-CG1 3.36Å; R285-I289 PolarHBondContact O-N 2.47Å; E286-I289 PolarHBondContact O-N 2.8Å; I289-T291 PolarHBondContact O-N 2.82Å; I289-H292 WeakPolarHBondContact O-CA 3.43Å; I289-H292 WeakPolarHBondContact O-CB 3.42Å; I289-H292 PolarHBondContact O-N 3.06Å; I289-T293 HydrophobicContact CG2-CG2 3.92Å; I289-T293 PolarHBondContact O-N 3.32Å
290	R	83.1	Confident	81.1	Confident	56 Å²	56	70.4 Å²	70.4	21%	0.211	36%	0.363	C	S	.	.	H	α-helix	trans	-57.9	-16.6	170.4	-60.7	174.3	-161.7	-176.6	-0.5	114.3	E286 H288 T293 G294 R308	E286-R290 PolarHBondContact O-N 2.88Å; E286-R290 IonicContact OE1-CZ 2.71Å; E286-R290 IonicContact OE1-NE 3.48Å; E286-R290 PolarHBondContact OE1-NE 3.34Å; E286-R290 IonicContact OE1-NH2 3.51Å; E286-R290 PolarHBondContact OE1-NH2 2.88Å; H288-R290 PolarHBondContact O-N 3.48Å; R290-T293 WeakPolarHBondContact CA-OG1 3.29Å; R290-G294 PolarHBondContact O-N 3.01Å; R290-R308 PolarHBondContact O-NE 2.95Å; R290-R308 PolarHBondContact O-NH2 3.35Å
291	T	81.4	Confident	81.4	Confident	59 Å²	59	77.3 Å²	77.3	36%	0.362	39%	0.39	S	S	.	.	H	α-helix	trans	-75.9	-25.1	171.6	73.5	0	0	0	0	113.4	H288 I289 R308	H288-T291 PolarHBondContact CE1-OG1 3.33Å; H288-T291 PolarHBondContact ND1-OG1 3.44Å; H288-T291 WeakPolarHBondContact O-CA 3.26Å; H288-T291 VanDerWaalsContact O-CB 3.25Å; H288-T291 WeakPolarHBondContact O-CB 3.47Å; H288-T291 WeakPolarHBondContact O-CG2 3.12Å; H288-T291 PolarHBondContact O-N 3.47Å; H288-T291 PolarHBondContact O-OG1 2.88Å; I289-T291 PolarHBondContact O-N 2.82Å; T291-R308 PolarHBondContact O-NH2 2.91Å
292	H	83.2	Confident	81.6	Confident	94 Å²	94	77 Å²	77	44%	0.435	40%	0.395	S	S	.	.	H	α-helix	trans	-93.5	-44.8	175	-60.2	-75.7	0	0	0	112.8	C272 A274 C275 H288 I289 G294	C272-H292 PolarHBondContact SG-NE2 3.06Å; A274-H292 HydrophobicContact CB-CB 4.36Å; C275-H292 WeakPolarHBondContact CB-CE1 3.36Å; C275-H292 PolarHBondContact SG-CE1 3.37Å; C275-H292 PolarHBondContact SG-NE2 3.13Å; H288-H292 AromaticContact CD2-NE2 3.27Å; H288-H292 PolarHBondContact CD2-NE2 3.47Å; H288-H292 VanDerWaalsContact CD2-NE2 3.27Å; H288-H292 AromaticContact CE1-NE2 2.9Å; H288-H292 PolarHBondContact CE1-NE2 3.3Å; H288-H292 AromaticContact NE2-CD2 3.79Å; H288-H292 AromaticContact NE2-NE2 2.26Å; H288-H292 PolarHBondContact NE2-NE2 3.14Å; I289-H292 WeakPolarHBondContact O-CA 3.43Å; I289-H292 WeakPolarHBondContact O-CB 3.42Å; I289-H292 PolarHBondContact O-N 3.06Å; H292-G294 PolarHBondContact O-N 3.12Å
293	T	79.5	Confident	81.7	Confident	73 Å²	73	76.4 Å²	76.4	45%	0.448	39%	0.388	S	S	.	.	H	α-helix	trans	-66.8	-18.9	179.1	63.3	0	0	0	0	113	I289 R290 E295	I289-T293 HydrophobicContact CG2-CG2 3.92Å; I289-T293 PolarHBondContact O-N 3.32Å; R290-T293 WeakPolarHBondContact CA-OG1 3.29Å; T293-E295 PolarHBondContact O-N 2.93Å; T293-E295 WeakPolarHBondContact OG1-CB 3.38Å; T293-E295 VanDerWaalsContact OG1-CD 3.28Å; T293-E295 WeakPolarHBondContact OG1-CG 3.27Å; T293-E295 PolarHBondContact OG1-N 2.96Å; T293-E295 PolarHBondContact OG1-OE2 3.24Å
294	G	79.3	Confident	81.7	Confident	38 Å²	38	79.3 Å²	79.3	39%	0.392	41%	0.408	S	S	.	.			trans	78.2	-4.8	-176.3	0	0	0	0	0	114	R290 H292 R296	R290-G294 PolarHBondContact O-N 3.01Å; H292-G294 PolarHBondContact O-N 3.12Å; G294-R296 PolarHBondContact O-N 3.46Å
295	E	79.5	Confident	81.8	Confident	107 Å²	107	81.1 Å²	81.1	50%	0.5	41%	0.409	S	S	.	.			trans	-58.7	130	-175.2	-70.9	165.2	151.4	0	0	112.3	T293 R308	T293-E295 PolarHBondContact O-N 2.93Å; T293-E295 WeakPolarHBondContact OG1-CB 3.38Å; T293-E295 VanDerWaalsContact OG1-CD 3.28Å; T293-E295 WeakPolarHBondContact OG1-CG 3.27Å; T293-E295 PolarHBondContact OG1-N 2.96Å; T293-E295 PolarHBondContact OG1-OE2 3.24Å; E295-R308 WeakPolarHBondContact O-CG 3.31Å
296	R	82.3	Confident	81.8	Confident	97 Å²	97	78.1 Å²	78.1	37%	0.366	40%	0.402	S	S	.	.			trans	-125.7	78.9	177.7	-74	167.9	174.6	-98.2	0.9	108.3	D32 G294 Y298 A306 Y307 R308	D32-R296 IonicContact OD2-CZ 2.94Å; D32-R296 IonicContact OD2-NH1 3.14Å; D32-R296 IonicContact OD2-NH2 2.75Å; D32-R296 PolarHBondContact OD2-NH2 3.06Å; G294-R296 PolarHBondContact O-N 3.46Å; R296-Y298 VanDerWaalsContact C-N 3.3Å; R296-Y298 PolarHBondContact O-N 3.49Å; R296-A306 HydrophobicContact CB-CB 3.6Å; R296-A306 VanDerWaalsContact CD-O 3.26Å; R296-A306 WeakPolarHBondContact CD-O 3.47Å; R296-A306 PolarHBondContact NH1-O 3.38Å; R296-Y307 CarbonylContact C-O 3.52Å; R296-Y307 VanDerWaalsContact C-O 3.23Å; R296-Y307 VanDerWaalsContact CA-O 3.31Å; R296-Y307 WeakPolarHBondContact CA-O 3.27Å; R296-R308 HydrophobicContact CG-CG 4.16Å
297	P	83.8	Confident	81.9	Confident	73 Å²	73	76.1 Å²	76.1	47%	0.474	39%	0.392	S	S	.	.			trans	-63.6	-34.2	-173.6	-22.7	34.2	0	0	0	113.3	K299 Y307	P297-K299 PolarHBondContact O-N 3.45Å; P297-K299 VanDerWaalsContact O-N 3.14Å; P297-Y307 WeakPolarHBondContact CD-O 3.47Å
298	Y	83.7	Confident	81.9	Confident	86 Å²	86	74.5 Å²	74.5	34%	0.337	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	84.5	-171.1	-59.3	-83	0	0	0	110.6	R296 A306 Y307 Q309 K310	R296-Y298 VanDerWaalsContact C-N 3.3Å; R296-Y298 PolarHBondContact O-N 3.49Å; Y298-A306 CarbonylContact O-C 3.52Å; Y298-A306 WeakPolarHBondContact O-CA 3.43Å; Y298-Y307 PolarHBondContact N-O 3.36Å; Y298-Y307 PolarHBondContact O-N 3.31Å; Y298-Q309 VanDerWaalsContact CD2-C 3.4Å; Y298-K310 HydrophobicContact CD1-CB 4.12Å; Y298-K310 HydrophobicContact CE1-CB 3.79Å; Y298-K310 HydrophobicContact CE1-CG 4.46Å
299	K	82.3	Confident	81.9	Confident	155 Å²	155	76.6 Å²	76.6	67%	0.674	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.7	142.8	177.8	-62	175	-175.2	172.4	0	110.7	P297 A306	P297-K299 PolarHBondContact O-N 3.45Å; P297-K299 VanDerWaalsContact O-N 3.14Å; K299-A306 HydrophobicContact CB-CB 4.48Å; K299-A306 HydrophobicContact CG-CB 3.86Å
300	C	83.9	Confident	82	Confident	13 Å²	13	79.2 Å²	79.2	9%	0.088	40%	0.403	C	S	.	.			trans	-80.9	142	167.5	-175.6	0	0	0	0	110.1	L302 C303 K305 L313 H316	C300-L302 PolarHBondContact SG-N 3.25Å; C300-L302 VanDerWaalsContact SG-N 3.37Å; C300-C303 CarbonylContact C-O 3.23Å; C300-C303 WeakPolarHBondContact CB-O 3.43Å; C300-K305 WeakPolarHBondContact CB-O 3.48Å; C300-K305 PolarHBondContact N-O 2.89Å; C300-L313 HydrophobicContact CB-CD1 3.79Å; C300-H316 WeakPolarHBondContact CB-NE2 3.48Å; C300-H316 PolarHBondContact SG-NE2 2.93Å
301	E	82.3	Confident	81.8	Confident	195 Å²	195	79.9 Å²	79.9	91%	0.911	41%	0.413	S	S	*	.	S	Bend	trans	-84.2	-22	175.5	-59.7	-177.3	161.4	0	0	112
302	L	79.6	Confident	81.7	Confident	95 Å²	95	79.5 Å²	79.5	50%	0.497	41%	0.407	S	S	.	.	S	Bend	trans	-93.9	-13.6	-176	-58.3	177.8	0	0	0	113.5	C300 L317 H320	C300-L302 PolarHBondContact SG-N 3.25Å; C300-L302 VanDerWaalsContact SG-N 3.37Å; L302-L317 HydrophobicContact CD1-CD2 4.42Å; L302-H320 HydrophobicContact CD1-CB 3.65Å
303	C	81.9	Confident	81.8	Confident	41 Å²	41	76.1 Å²	76.1	28%	0.277	39%	0.392	S	S	.	.	S	Bend	trans	-157.6	160.8	165.1	72.5	0	0	0	0	110.9	C300 K305 H316 H320	C300-C303 CarbonylContact C-O 3.23Å; C300-C303 WeakPolarHBondContact CB-O 3.43Å; C303-K305 PolarHBondContact O-N 2.78Å; C303-H316 VanDerWaalsContact SG-CE1 3.53Å; C303-H316 PolarHBondContact SG-NE2 3.38Å; C303-H316 VanDerWaalsContact SG-NE2 3.37Å; C303-H320 PolarHBondContact SG-NE2 3.04Å; C303-H320 VanDerWaalsContact SG-NE2 3.38Å
304	S	80.5	Confident	81.8	Confident	131 Å²	131	76 Å²	76	92%	0.916	39%	0.388	S	S	*	.	S	Bend	trans	-67	9.2	-175.5	-43.6	0	0	0	0	116
305	K	81.9	Confident	81.7	Confident	70 Å²	70	76.5 Å²	76.5	30%	0.304	38%	0.38	S	S	.	.			trans	-76.3	140.1	179.5	-66.2	-170.9	175.3	-174.5	0	110.5	E30 C300 C303 Y307	E30-K305 IonicContact OE1-NZ 3.19Å; E30-K305 PolarHBondContact OE1-NZ 3.23Å; E30-K305 IonicContact OE2-NZ 2.77Å; E30-K305 PolarHBondContact OE2-NZ 3.12Å; C300-K305 WeakPolarHBondContact CB-O 3.48Å; C300-K305 PolarHBondContact N-O 2.89Å; C303-K305 PolarHBondContact O-N 2.78Å; K305-Y307 HydrophobicContact CB-CE2 4.07Å
306	A	83.7	Confident	81.7	Confident	19 Å²	19	72.4 Å²	72.4	16%	0.157	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	147	-175.9	0	0	0	0	0	111.2	R296 Y298 K299	R296-A306 HydrophobicContact CB-CB 3.6Å; R296-A306 VanDerWaalsContact CD-O 3.26Å; R296-A306 WeakPolarHBondContact CD-O 3.47Å; R296-A306 PolarHBondContact NH1-O 3.38Å; Y298-A306 CarbonylContact O-C 3.52Å; Y298-A306 WeakPolarHBondContact O-CA 3.43Å; K299-A306 HydrophobicContact CB-CB 4.48Å; K299-A306 HydrophobicContact CG-CB 3.86Å
307	Y	81.5	Confident	81.5	Confident	30 Å²	30	70.4 Å²	70.4	12%	0.118	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	153.6	-169.5	-64.7	-83.7	0	0	0	112.4	R296 P297 Y298 K305 H312 L313 H316	R296-Y307 CarbonylContact C-O 3.52Å; R296-Y307 VanDerWaalsContact C-O 3.23Å; R296-Y307 VanDerWaalsContact CA-O 3.31Å; R296-Y307 WeakPolarHBondContact CA-O 3.27Å; P297-Y307 WeakPolarHBondContact CD-O 3.47Å; Y298-Y307 PolarHBondContact N-O 3.36Å; Y298-Y307 PolarHBondContact O-N 3.31Å; K305-Y307 HydrophobicContact CB-CE2 4.07Å; Y307-H312 HydrophobicContact CD1-CB 3.75Å; Y307-H312 HydrophobicContact CG-CB 4.14Å; Y307-L313 HydrophobicContact CD2-CB 4.19Å; Y307-L313 HydrophobicContact CD2-CD1 4.1Å; Y307-H316 HydrophobicContact CE1-CB 4.46Å; Y307-H316 HydrophobicContact CE2-CB 3.69Å; Y307-H316 AromaticContact CE2-CD2 3.56Å; Y307-H316 AromaticContact CE2-CG 3.54Å; Y307-H316 AromaticContact CZ-CG 3.67Å; Y307-H316 VanDerWaalsContact OH-CG 3.32Å; Y307-H316 PolarHBondContact OH-ND1 3.06Å
308	R	82.9	Confident	81.1	Confident	69 Å²	69	70.6 Å²	70.6	26%	0.26	35%	0.349	S	S	.	.	S	Bend	trans	-77.8	-18.6	179.4	-69.6	178.5	164.1	144	-6.3	113.7	R290 T291 E295 R296	R290-R308 PolarHBondContact O-NE 2.95Å; R290-R308 PolarHBondContact O-NH2 3.35Å; T291-R308 PolarHBondContact O-NH2 2.91Å; E295-R308 WeakPolarHBondContact O-CG 3.31Å; R296-R308 HydrophobicContact CG-CG 4.16Å
309	Q	82.9	Confident	80.7	Confident	67 Å²	67	70.3 Å²	70.3	31%	0.313	36%	0.359	S	S	.	.	S	Bend	trans	-144.4	147	-174.3	-54.3	-174.3	11.9	0	0	111.6	Y298 V311 H312 L313	Y298-Q309 VanDerWaalsContact CD2-C 3.4Å; Q309-V311 VanDerWaalsContact C-N 3.34Å; Q309-V311 PolarHBondContact O-N 2.87Å; Q309-H312 PolarHBondContact O-N 2.99Å; Q309-L313 PolarHBondContact O-N 3.41Å
310	K	83.5	Confident	80.3	Confident	96 Å²	96	66.6 Å²	66.6	42%	0.417	34%	0.344	S	S	.	.	H	α-helix	trans	-52.6	-45.2	177.3	-174.9	-169.4	174.1	-156.6	0	112.3	Y298 H312 L313 N314 D599	Y298-K310 HydrophobicContact CD1-CB 4.12Å; Y298-K310 HydrophobicContact CE1-CB 3.79Å; Y298-K310 HydrophobicContact CE1-CG 4.46Å; K310-H312 PolarHBondContact O-N 3.22Å; K310-L313 WeakPolarHBondContact O-CB 3.44Å; K310-L313 PolarHBondContact O-N 3.29Å; K310-L313 VanDerWaalsContact O-N 3.12Å; K310-N314 PolarHBondContact O-N 3.07Å; K310-D599 IonicContact NZ-OD2 3.71Å; K310-D599 PolarHBondContact NZ-OD2 3.3Å
311	V	77.6	Confident	79.6	Confident	70 Å²	70	69.9 Å²	69.9	42%	0.424	36%	0.364	S	S	.	.	H	α-helix	trans	-58.5	-42.5	-178	-175.9	0	0	0	0	112.4	Q309 N314 E315	Q309-V311 VanDerWaalsContact C-N 3.34Å; Q309-V311 PolarHBondContact O-N 2.87Å; V311-N314 PolarHBondContact O-N 2.86Å; V311-E315 PolarHBondContact O-N 3.34Å
312	H	80.4	Confident	78.9	Confident	51 Å²	51	61.7 Å²	61.7	24%	0.236	33%	0.332	C	S	.	.	H	α-helix	trans	-70.6	-33.5	178.2	-58.3	-35.2	0	0	0	112.6	Y307 Q309 K310 H316	Y307-H312 HydrophobicContact CD1-CB 3.75Å; Y307-H312 HydrophobicContact CG-CB 4.14Å; Q309-H312 PolarHBondContact O-N 2.99Å; K310-H312 PolarHBondContact O-N 3.22Å; H312-H316 VanDerWaalsContact O-CB 3.27Å; H312-H316 WeakPolarHBondContact O-CB 3.5Å; H312-H316 PolarHBondContact O-N 2.78Å
313	L	84.8	Confident	78.4	Confident	22 Å²	22	59.6 Å²	59.6	12%	0.115	32%	0.323	C	S	.	.	H	α-helix	trans	-64.2	-42.5	170	175.4	61.6	0	0	0	110.7	C300 Y307 Q309 K310 H316 L317	C300-L313 HydrophobicContact CB-CD1 3.79Å; Y307-L313 HydrophobicContact CD2-CB 4.19Å; Y307-L313 HydrophobicContact CD2-CD1 4.1Å; Q309-L313 PolarHBondContact O-N 3.41Å; K310-L313 WeakPolarHBondContact O-CB 3.44Å; K310-L313 PolarHBondContact O-N 3.29Å; K310-L313 VanDerWaalsContact O-N 3.12Å; L313-H316 CarbonylContact O-C 3.01Å; L313-H316 WeakPolarHBondContact O-CB 3.34Å; L313-H316 PolarHBondContact O-N 3.03Å; L313-L317 HydrophobicContact CD1-CD1 4.16Å; L313-L317 HydrophobicContact CD1-CG 4.07Å; L313-L317 HydrophobicContact CG-CD1 3.96Å; L313-L317 HydrophobicContact CG-CG 4.33Å; L313-L317 WeakPolarHBondContact O-CB 3.45Å; L313-L317 VanDerWaalsContact O-CG 3.31Å; L313-L317 WeakPolarHBondContact O-CG 3.46Å; L313-L317 PolarHBondContact O-N 3.25Å
314	N	79.6	Confident	77.9	Confident	71 Å²	71	62.4 Å²	62.4	38%	0.38	33%	0.328	S	S	.	.	H	α-helix	trans	-64.4	-43.5	177.4	-72.5	-4.1	0	0	0	112.4	K310 V311 H316 L317 R318	K310-N314 PolarHBondContact O-N 3.07Å; V311-N314 PolarHBondContact O-N 2.86Å; N314-H316 VanDerWaalsContact C-N 3.3Å; N314-H316 PolarHBondContact O-N 3.44Å; N314-L317 PolarHBondContact O-N 3.21Å; N314-R318 WeakPolarHBondContact O-CG 3.33Å; N314-R318 PolarHBondContact O-N 3.44Å
315	E	76.6	Confident	77.5	Confident	48 Å²	48	56.5 Å²	56.5	22%	0.224	29%	0.286	C	S	.	.	H	α-helix	trans	-61.7	-38.1	172.7	-177.3	171.1	-162.6	0	0	111.9	V311 R318 S337 L340	V311-E315 PolarHBondContact O-N 3.34Å; E315-R318 WeakPolarHBondContact O-CB 3.48Å; E315-R318 PolarHBondContact O-N 2.82Å; E315-S337 WeakPolarHBondContact OE1-CB 3.33Å; E315-S337 PolarHBondContact OE1-OG 3.05Å; E315-L340 WeakPolarHBondContact OE1-CD1 3.43Å
316	H	79.5	Confident	77.1	Confident	21 Å²	21	53.4 Å²	53.4	10%	0.097	27%	0.273	C	S	.	.	H	α-helix	trans	-68.5	-40.8	173.7	168.6	65.3	0	0	0	113.1	C300 C303 Y307 H312 L313 N314 R318 S319 H320	C300-H316 WeakPolarHBondContact CB-NE2 3.48Å; C300-H316 PolarHBondContact SG-NE2 2.93Å; C303-H316 VanDerWaalsContact SG-CE1 3.53Å; C303-H316 PolarHBondContact SG-NE2 3.38Å; C303-H316 VanDerWaalsContact SG-NE2 3.37Å; Y307-H316 HydrophobicContact CE1-CB 4.46Å; Y307-H316 HydrophobicContact CE2-CB 3.69Å; Y307-H316 AromaticContact CE2-CD2 3.56Å; Y307-H316 AromaticContact CE2-CG 3.54Å; Y307-H316 AromaticContact CZ-CG 3.67Å; Y307-H316 VanDerWaalsContact OH-CG 3.32Å; Y307-H316 PolarHBondContact OH-ND1 3.06Å; H312-H316 VanDerWaalsContact O-CB 3.27Å; H312-H316 WeakPolarHBondContact O-CB 3.5Å; H312-H316 PolarHBondContact O-N 2.78Å; L313-H316 CarbonylContact O-C 3.01Å; L313-H316 WeakPolarHBondContact O-CB 3.34Å; L313-H316 PolarHBondContact O-N 3.03Å; N314-H316 VanDerWaalsContact C-N 3.3Å; N314-H316 PolarHBondContact O-N 3.44Å; H316-R318 VanDerWaalsContact C-N 3.27Å; H316-R318 PolarHBondContact O-N 3.19Å; H316-S319 WeakPolarHBondContact O-CA 3.46Å; H316-S319 VanDerWaalsContact O-CB 3.24Å; H316-S319 WeakPolarHBondContact O-CB 3.24Å; H316-S319 PolarHBondContact O-N 3.42Å; H316-S319 PolarHBondContact O-OG 3.21Å; H316-H320 AromaticContact CE1-CD2 3.59Å; H316-H320 AromaticContact CE1-NE2 3.37Å; H316-H320 PolarHBondContact CE1-NE2 3.03Å; H316-H320 AromaticContact NE2-CD2 3.42Å; H316-H320 PolarHBondContact NE2-CD2 2.8Å; H316-H320 AromaticContact NE2-NE2 3.24Å; H316-H320 PolarHBondContact NE2-NE2 2.87Å; H316-H320 PolarHBondContact O-N 2.64Å
317	L	78.3	Confident	76.7	Confident	55 Å²	55	52.6 Å²	52.6	29%	0.288	27%	0.266	S	S	.	.	H	α-helix	trans	-63.4	-33.5	176.1	-73.7	168.9	0	0	0	111.6	L302 L313 N314 S319 H320 T321	L302-L317 HydrophobicContact CD1-CD2 4.42Å; L313-L317 HydrophobicContact CD1-CD1 4.16Å; L313-L317 HydrophobicContact CD1-CG 4.07Å; L313-L317 HydrophobicContact CG-CD1 3.96Å; L313-L317 HydrophobicContact CG-CG 4.33Å; L313-L317 WeakPolarHBondContact O-CB 3.45Å; L313-L317 VanDerWaalsContact O-CG 3.31Å; L313-L317 WeakPolarHBondContact O-CG 3.46Å; L313-L317 PolarHBondContact O-N 3.25Å; N314-L317 PolarHBondContact O-N 3.21Å; L317-S319 PolarHBondContact O-N 3.12Å; L317-H320 PolarHBondContact O-N 3.15Å; L317-T321 PolarHBondContact O-N 3.46Å; L317-T321 PolarHBondContact O-OG1 3.15Å
318	R	75.3	Confident	76.4	Confident	78 Å²	78	51.2 Å²	51.2	29%	0.294	26%	0.26	S	S	.	.	H	α-helix	trans	-59.7	-25	168.8	-70.1	174.6	-175.8	171.1	1.8	113.1	N314 E315 H316 T321 G322 V323 Y326 A336	N314-R318 WeakPolarHBondContact O-CG 3.33Å; N314-R318 PolarHBondContact O-N 3.44Å; E315-R318 WeakPolarHBondContact O-CB 3.48Å; E315-R318 PolarHBondContact O-N 2.82Å; H316-R318 VanDerWaalsContact C-N 3.27Å; H316-R318 PolarHBondContact O-N 3.19Å; R318-T321 PolarHBondContact O-OG1 3.35Å; R318-G322 CarbonylContact O-C 3.53Å; R318-G322 VanDerWaalsContact O-CA 3.3Å; R318-G322 WeakPolarHBondContact O-CA 3.33Å; R318-G322 PolarHBondContact O-N 2.89Å; R318-V323 PolarHBondContact O-N 3.5Å; R318-Y326 PolarHBondContact NH1-OH 3.4Å; R318-A336 HydrophobicContact CB-CB 4.39Å; R318-A336 WeakPolarHBondContact CD-O 3.28Å; R318-A336 PolarHBondContact NH1-O 3.09Å
319	S	74.6	Confident	76.1	Confident	79 Å²	79	51.4 Å²	51.4	55%	0.552	26%	0.263	S	S	*	.	H	α-helix	trans	-74.5	-31.3	171.6	82.4	0	0	0	0	113.6	H316 L317	H316-S319 WeakPolarHBondContact O-CA 3.46Å; H316-S319 VanDerWaalsContact O-CB 3.24Å; H316-S319 WeakPolarHBondContact O-CB 3.24Å; H316-S319 PolarHBondContact O-N 3.42Å; H316-S319 PolarHBondContact O-OG 3.21Å; L317-S319 PolarHBondContact O-N 3.12Å
320	H	75.8	Confident	75.6	Confident	78 Å²	78	52.1 Å²	52.1	36%	0.361	27%	0.269	S	S	.	.	H	α-helix	trans	-74.6	-43.5	174.4	-81.4	-81.1	0	0	0	112.4	L302 C303 H316 L317 G322	L302-H320 HydrophobicContact CD1-CB 3.65Å; C303-H320 PolarHBondContact SG-NE2 3.04Å; C303-H320 VanDerWaalsContact SG-NE2 3.38Å; H316-H320 AromaticContact CE1-CD2 3.59Å; H316-H320 AromaticContact CE1-NE2 3.37Å; H316-H320 PolarHBondContact CE1-NE2 3.03Å; H316-H320 AromaticContact NE2-CD2 3.42Å; H316-H320 PolarHBondContact NE2-CD2 2.8Å; H316-H320 AromaticContact NE2-NE2 3.24Å; H316-H320 PolarHBondContact NE2-NE2 2.87Å; H316-H320 PolarHBondContact O-N 2.64Å; L317-H320 PolarHBondContact O-N 3.15Å; H320-G322 VanDerWaalsContact C-N 3.31Å
321	T	68.5	Low	75.1	Confident	81 Å²	81	50 Å²	50	50%	0.497	27%	0.265	S	S	.	.	H	α-helix	trans	-75.3	-23.5	176	61.4	0	0	0	0	112.4	L317 R318 V323	L317-T321 PolarHBondContact O-N 3.46Å; L317-T321 PolarHBondContact O-OG1 3.15Å; R318-T321 PolarHBondContact O-OG1 3.35Å; T321-V323 VanDerWaalsContact C-N 3.27Å; T321-V323 WeakPolarHBondContact OG1-CG2 3.5Å; T321-V323 PolarHBondContact OG1-N 3.46Å
322	G	66.8	Low	74.6	Confident	24 Å²	24	47.1 Å²	47.1	25%	0.247	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.5	16.4	-175.3	0	0	0	0	0	113.8	R318 H320	R318-G322 CarbonylContact O-C 3.53Å; R318-G322 VanDerWaalsContact O-CA 3.3Å; R318-G322 WeakPolarHBondContact O-CA 3.33Å; R318-G322 PolarHBondContact O-N 2.89Å; H320-G322 VanDerWaalsContact C-N 3.31Å
323	V	69.5	Low	74.2	Confident	50 Å²	50	49.7 Å²	49.7	30%	0.303	26%	0.261	S	S	.	.			trans	-76.9	127	178.7	177.2	0	0	0	0	109.5	R318 T321	R318-V323 PolarHBondContact O-N 3.5Å; T321-V323 VanDerWaalsContact C-N 3.27Å; T321-V323 WeakPolarHBondContact OG1-CG2 3.5Å; T321-V323 PolarHBondContact OG1-N 3.46Å
324	R	71.7	Confident	73.5	Confident	101 Å²	101	49.2 Å²	49.2	38%	0.381	26%	0.259	S	S	.	.			trans	-132.2	77.4	-175.1	-67.8	171.7	71.4	136.5	-5.6	109.1	Y326 C334 L335	R324-Y326 VanDerWaalsContact C-N 3.35Å; R324-Y326 PolarHBondContact O-N 2.91Å; R324-C334 HydrophobicContact CB-CB 3.79Å; R324-C334 PolarHBondContact NE-O 3.3Å; R324-C334 PolarHBondContact NH2-O 3.37Å; R324-C334 WeakPolarHBondContact O-CB 3.44Å; R324-L335 CarbonylContact C-O 3.44Å; R324-L335 VanDerWaalsContact CA-O 3.25Å; R324-L335 WeakPolarHBondContact CA-O 3.16Å
325	P	72.1	Confident	73.1	Confident	7 Å²	7	46.6 Å²	46.6	5%	0.045	25%	0.245	C	C	.	.			trans	-77.8	-16	-164.5	29.6	-31.1	0	0	0	113.7	L327 L335 M362 K363 I364	P325-L327 PolarHBondContact O-N 3.27Å; P325-L335 WeakPolarHBondContact CD-O 3.2Å; P325-M362 VanDerWaalsContact O-O 3.08Å; P325-K363 CarbonylContact O-C 3.5Å; P325-K363 WeakPolarHBondContact O-CA 3.36Å; P325-I364 WeakPolarHBondContact CB-O 3.44Å; P325-I364 PolarHBondContact O-N 3.35Å
326	Y	73	Confident	72.9	Confident	4 Å²	4	45.1 Å²	45.1	2%	0.016	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	95.8	-176.5	-55.3	-96.5	0	0	0	110.8	R318 R324 C334 L335 S337 K338 L341 W361 D600	R318-Y326 PolarHBondContact NH1-OH 3.4Å; R324-Y326 VanDerWaalsContact C-N 3.35Å; R324-Y326 PolarHBondContact O-N 2.91Å; Y326-C334 CarbonylContact O-C 3.29Å; Y326-C334 WeakPolarHBondContact O-CA 3.25Å; Y326-L335 PolarHBondContact N-O 2.86Å; Y326-L335 VanDerWaalsContact N-O 3.08Å; Y326-L335 PolarHBondContact O-N 2.56Å; Y326-S337 VanDerWaalsContact CD2-C 3.46Å; Y326-K338 HydrophobicContact CD1-CB 4.21Å; Y326-K338 HydrophobicContact CE1-CB 3.64Å; Y326-K338 HydrophobicContact CE1-CG 4.11Å; Y326-L341 HydrophobicContact CD1-CD2 4.13Å; Y326-L341 HydrophobicContact CG-CD2 4.39Å; Y326-W361 AromaticContact CD1-CE3 3.88Å; Y326-W361 HydrophobicContact CD1-CE3 3.88Å; Y326-W361 HydrophobicContact CD1-CH2 4.09Å; Y326-W361 AromaticContact CD1-CZ3 3.45Å; Y326-W361 HydrophobicContact CD1-CZ3 3.45Å; Y326-W361 VanDerWaalsContact CD1-CZ3 3.45Å; Y326-W361 HydrophobicContact CE1-CH2 4.22Å; Y326-W361 AromaticContact CE1-CZ3 3.95Å; Y326-W361 HydrophobicContact CE1-CZ3 3.95Å; Y326-D600 PolarHBondContact OH-OD1 3.42Å
327	L	74.8	Confident	72.6	Confident	3 Å²	3	44.5 Å²	44.5	2%	0.016	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	124.8	176	178.7	81.2	0	0	0	111.1	P325 G332 C334 W361 M362 I364 I374 A375 V378	P325-L327 PolarHBondContact O-N 3.27Å; L327-G332 WeakPolarHBondContact CD1-O 3.17Å; L327-C334 WeakPolarHBondContact CD1-SG 3.41Å; L327-W361 CarbonylContact O-C 3.59Å; L327-W361 WeakPolarHBondContact O-CA 3.48Å; L327-W361 VanDerWaalsContact O-CB 3.23Å; L327-W361 WeakPolarHBondContact O-CB 3.19Å; L327-M362 PolarHBondContact N-O 3.06Å; L327-M362 PolarHBondContact O-N 3.37Å; L327-I364 HydrophobicContact CB-CD1 3.65Å; L327-I364 HydrophobicContact CB-CG1 4.23Å; L327-I364 HydrophobicContact CD2-CD1 3.99Å; L327-I364 HydrophobicContact CG-CD1 4.26Å; L327-I374 HydrophobicContact CD2-CG2 4.07Å; L327-A375 HydrophobicContact CD1-CB 4.12Å; L327-V378 HydrophobicContact CD2-CG2 4.1Å
328	C	76.4	Confident	72.5	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	116.5	166.2	-176	0	0	0	0	111.4	L330 C331 G332 F333 L341 L345 H348	C328-L330 PolarHBondContact O-N 2.96Å; C328-C331 PolarHBondContact O-N 2.57Å; C328-G332 WeakPolarHBondContact O-CA 3.43Å; C328-G332 PolarHBondContact O-N 2.92Å; C328-F333 PolarHBondContact N-O 3.29Å; C328-L341 HydrophobicContact CB-CD1 4.06Å; C328-L345 VanDerWaalsContact SG-CD2 3.6Å; C328-H348 PolarHBondContact SG-NE2 2.9Å
329	K	75.7	Confident	72.4	Confident	73 Å²	73	43.8 Å²	43.8	32%	0.317	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-19	-177.7	-70.2	162.5	171	161	0	113.6	T358 D359 V360 W361	K329-T358 PolarHBondContact NZ-O 3.49Å; K329-D359 WeakPolarHBondContact CD-O 3.42Å; K329-D359 PolarHBondContact NZ-O 3.4Å; K329-D359 VanDerWaalsContact NZ-O 3.13Å; K329-V360 WeakPolarHBondContact CB-O 3.49Å; K329-V360 PolarHBondContact N-O 3.08Å; K329-V360 VanDerWaalsContact N-O 3.08Å; K329-W361 WeakPolarHBondContact CE-O 3.42Å; K329-W361 PolarHBondContact NZ-O 2.95Å
330	L	73	Confident	72.5	Confident	82 Å²	82	42.2 Å²	42.2	43%	0.429	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-17	-177.8	-60.1	178.1	0	0	0	114.4	C328 H348 I350 V360	C328-L330 PolarHBondContact O-N 2.96Å; L330-H348 HydrophobicContact CD1-CB 3.74Å; L330-I350 HydrophobicContact CD1-CD1 3.62Å; L330-V360 HydrophobicContact CD1-CG1 4.04Å; L330-V360 HydrophobicContact CG-CG1 4.4Å
331	C	72.1	Confident	72.5	Confident	51 Å²	51	38.5 Å²	38.5	35%	0.345	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-148.7	-1.9	-174	63.2	0	0	0	0	115	C328 F333 H344	C328-C331 PolarHBondContact O-N 2.57Å; C331-F333 PolarHBondContact O-N 2.72Å; C331-F333 VanDerWaalsContact SG-CB 3.5Å; C331-F333 PolarHBondContact SG-N 2.85Å; C331-H344 PolarHBondContact SG-NE2 3.49Å
332	G	68.9	Low	72.8	Confident	10 Å²	10	35.3 Å²	35.3	10%	0.103	19%	0.193	C	C	.	.			trans	71.7	8	-175.9	0	0	0	0	0	114.9	L327 C328 C334	L327-G332 WeakPolarHBondContact CD1-O 3.17Å; C328-G332 WeakPolarHBondContact O-CA 3.43Å; C328-G332 PolarHBondContact O-N 2.92Å; G332-C334 PolarHBondContact O-N 2.82Å
333	F	71.1	Confident	73.1	Confident	105 Å²	105	41.3 Å²	41.3	46%	0.461	21%	0.208	S	C	.	.			trans	-82.9	111.5	-175.4	-162.4	-119	0	0	0	111.9	C328 C331 L335	C328-F333 PolarHBondContact N-O 3.29Å; C331-F333 PolarHBondContact O-N 2.72Å; C331-F333 VanDerWaalsContact SG-CB 3.5Å; C331-F333 PolarHBondContact SG-N 2.85Å; F333-L335 HydrophobicContact CD1-CD1 4.2Å; F333-L335 HydrophobicContact CD1-CD2 3.93Å; F333-L335 HydrophobicContact CD1-CG 3.96Å; F333-L335 HydrophobicContact CE1-CD2 3.64Å; F333-L335 HydrophobicContact CE1-CG 4.2Å
334	C	71.1	Confident	73.4	Confident	13 Å²	13	40.4 Å²	40.4	9%	0.088	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	142.6	174.2	-57.1	0	0	0	0	112.2	R324 Y326 L327 G332 V371	R324-C334 HydrophobicContact CB-CB 3.79Å; R324-C334 PolarHBondContact NE-O 3.3Å; R324-C334 PolarHBondContact NH2-O 3.37Å; R324-C334 WeakPolarHBondContact O-CB 3.44Å; Y326-C334 CarbonylContact O-C 3.29Å; Y326-C334 WeakPolarHBondContact O-CA 3.25Å; L327-C334 WeakPolarHBondContact CD1-SG 3.41Å; G332-C334 PolarHBondContact O-N 2.82Å; C334-V371 HydrophobicContact CB-CG1 4.27Å
335	L	70.8	Confident	73.5	Confident	15 Å²	15	35.8 Å²	35.8	8%	0.079	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	157.3	-178.4	-73.2	164.8	0	0	0	111.9	R324 P325 Y326 F333 L340 L341 H344	R324-L335 CarbonylContact C-O 3.44Å; R324-L335 VanDerWaalsContact CA-O 3.25Å; R324-L335 WeakPolarHBondContact CA-O 3.16Å; P325-L335 WeakPolarHBondContact CD-O 3.2Å; Y326-L335 PolarHBondContact N-O 2.86Å; Y326-L335 VanDerWaalsContact N-O 3.08Å; Y326-L335 PolarHBondContact O-N 2.56Å; F333-L335 HydrophobicContact CD1-CD1 4.2Å; F333-L335 HydrophobicContact CD1-CD2 3.93Å; F333-L335 HydrophobicContact CD1-CG 3.96Å; F333-L335 HydrophobicContact CE1-CD2 3.64Å; F333-L335 HydrophobicContact CE1-CG 4.2Å; L335-L340 HydrophobicContact CB-CB 4.46Å; L335-L340 HydrophobicContact CD2-CB 4.3Å; L335-L341 HydrophobicContact CD1-CB 4.21Å; L335-L341 HydrophobicContact CD1-CD1 4.19Å; L335-H344 HydrophobicContact CD1-CB 3.51Å
336	A	71.7	Confident	73.8	Confident	18 Å²	18	41.1 Å²	41.1	15%	0.149	20%	0.203	C	C	.	.	S	Bend	trans	-83.1	-18.8	-173	0	0	0	0	0	114.4	R318 L340	R318-A336 HydrophobicContact CB-CB 4.39Å; R318-A336 WeakPolarHBondContact CD-O 3.28Å; R318-A336 PolarHBondContact NH1-O 3.09Å; A336-L340 HydrophobicContact CB-CD1 4.37Å
337	S	73.9	Confident	73.9	Confident	7 Å²	7	45.7 Å²	45.7	5%	0.049	23%	0.231	C	C	.	.	S	Bend	trans	-149	154.7	-175.6	61.1	0	0	0	0	112.5	E315 Y326 S339 L340 L341	E315-S337 WeakPolarHBondContact OE1-CB 3.33Å; E315-S337 PolarHBondContact OE1-OG 3.05Å; Y326-S337 VanDerWaalsContact CD2-C 3.46Å; S337-S339 PolarHBondContact O-N 2.93Å; S337-S339 PolarHBondContact OG-OG 3.22Å; S337-S339 VanDerWaalsContact OG-OG 3.07Å; S337-L340 PolarHBondContact O-N 3.05Å; S337-L340 VanDerWaalsContact OG-CB 3.31Å; S337-L340 WeakPolarHBondContact OG-CB 3.42Å; S337-L340 WeakPolarHBondContact OG-CD1 3.49Å; S337-L340 WeakPolarHBondContact OG-CG 3.37Å; S337-L340 PolarHBondContact OG-N 3.07Å; S337-L341 WeakPolarHBondContact O-CB 3.47Å; S337-L341 PolarHBondContact O-N 3.27Å
338	K	75.1	Confident	73.8	Confident	47 Å²	47	49 Å²	49	20%	0.204	25%	0.246	C	C	.	.	H	α-helix	trans	-60	-33.3	173.5	-158.1	-177.7	-171.9	-172.8	0	112	Y326 N342 D600 D602	Y326-K338 HydrophobicContact CD1-CB 4.21Å; Y326-K338 HydrophobicContact CE1-CB 3.64Å; Y326-K338 HydrophobicContact CE1-CG 4.11Å; K338-N342 WeakPolarHBondContact O-CB 3.46Å; K338-N342 PolarHBondContact O-N 3.02Å; K338-N342 PolarHBondContact O-ND2 2.78Å; K338-D600 PolarHBondContact NZ-O 2.91Å; K338-D602 WeakPolarHBondContact CE-OD2 3.16Å; K338-D602 IonicContact NZ-OD2 3.42Å; K338-D602 PolarHBondContact NZ-OD2 3Å
339	S	74.6	Confident	73.6	Confident	72 Å²	72	51.9 Å²	51.9	50%	0.503	28%	0.276	S	S	.	.	H	α-helix	trans	-69.1	-46.2	176.3	60.9	0	0	0	0	112.3	S337 L341 N342 R343	S337-S339 PolarHBondContact O-N 2.93Å; S337-S339 PolarHBondContact OG-OG 3.22Å; S337-S339 VanDerWaalsContact OG-OG 3.07Å; S339-L341 VanDerWaalsContact C-N 3.32Å; S339-L341 PolarHBondContact O-N 2.84Å; S339-N342 PolarHBondContact O-N 3.06Å; S339-R343 WeakPolarHBondContact O-CB 3.31Å; S339-R343 PolarHBondContact O-N 3.42Å
340	L	75.6	Confident	73.2	Confident	46 Å²	46	50.8 Å²	50.8	24%	0.241	27%	0.273	C	S	.	.	H	α-helix	trans	-63	-39.5	173.1	-72	174.8	0	0	0	111.7	E315 L335 A336 S337 R343 H344	E315-L340 WeakPolarHBondContact OE1-CD1 3.43Å; L335-L340 HydrophobicContact CB-CB 4.46Å; L335-L340 HydrophobicContact CD2-CB 4.3Å; A336-L340 HydrophobicContact CB-CD1 4.37Å; S337-L340 PolarHBondContact O-N 3.05Å; S337-L340 VanDerWaalsContact OG-CB 3.31Å; S337-L340 WeakPolarHBondContact OG-CB 3.42Å; S337-L340 WeakPolarHBondContact OG-CD1 3.49Å; S337-L340 WeakPolarHBondContact OG-CG 3.37Å; S337-L340 PolarHBondContact OG-N 3.07Å; L340-R343 PolarHBondContact O-N 3.15Å; L340-H344 WeakPolarHBondContact O-CB 2.99Å; L340-H344 PolarHBondContact O-N 2.78Å
341	L	76.2	Confident	72.7	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-61.2	-51.9	173.5	175.9	68.1	0	0	0	111.4	Y326 C328 L335 S337 S339 R343 H344 L345 W361	Y326-L341 HydrophobicContact CD1-CD2 4.13Å; Y326-L341 HydrophobicContact CG-CD2 4.39Å; C328-L341 HydrophobicContact CB-CD1 4.06Å; L335-L341 HydrophobicContact CD1-CB 4.21Å; L335-L341 HydrophobicContact CD1-CD1 4.19Å; S337-L341 WeakPolarHBondContact O-CB 3.47Å; S337-L341 PolarHBondContact O-N 3.27Å; S339-L341 VanDerWaalsContact C-N 3.32Å; S339-L341 PolarHBondContact O-N 2.84Å; L341-R343 PolarHBondContact O-N 2.62Å; L341-H344 CarbonylContact O-C 3.56Å; L341-H344 WeakPolarHBondContact O-CA 3.43Å; L341-H344 WeakPolarHBondContact O-CB 3.39Å; L341-H344 PolarHBondContact O-N 3.13Å; L341-L345 HydrophobicContact CD1-CD2 4.2Å; L341-L345 HydrophobicContact CD1-CG 4.26Å; L341-L345 HydrophobicContact CG-CD1 4.45Å; L341-L345 HydrophobicContact CG-CG 4.35Å; L341-L345 WeakPolarHBondContact O-CG 3.42Å; L341-L345 PolarHBondContact O-N 3.18Å; L341-W361 HydrophobicContact CD1-CB 4.07Å; L341-W361 HydrophobicContact CD2-CB 3.54Å; L341-W361 HydrophobicContact CD2-CD2 3.3Å; L341-W361 HydrophobicContact CD2-CE3 3.61Å; L341-W361 HydrophobicContact CD2-CG 3.26Å; L341-W361 HydrophobicContact CD2-CZ3 4.46Å; L341-W361 HydrophobicContact CG-CB 4.35Å; L341-W361 HydrophobicContact CG-CG 4.37Å
342	N	75	Confident	72.1	Confident	14 Å²	14	57.2 Å²	57.2	8%	0.075	29%	0.292	C	S	.	.	H	α-helix	trans	-59.6	-34.9	177.2	-84.6	-37.5	0	0	0	112.6	K338 S339 H344 R346	K338-N342 WeakPolarHBondContact O-CB 3.46Å; K338-N342 PolarHBondContact O-N 3.02Å; K338-N342 PolarHBondContact O-ND2 2.78Å; S339-N342 PolarHBondContact O-N 3.06Å; N342-H344 VanDerWaalsContact C-N 3.35Å; N342-R346 WeakPolarHBondContact O-CG 3.25Å; N342-R346 PolarHBondContact O-N 3.33Å
343	R	73.8	Confident	71.2	Confident	149 Å²	149	62.1 Å²	62.1	56%	0.562	32%	0.315	S	S	*	.	H	α-helix	trans	-68.1	-32.4	171	-169.7	169	72.6	-174	5.8	112.7	S339 L340 L341	S339-R343 WeakPolarHBondContact O-CB 3.31Å; S339-R343 PolarHBondContact O-N 3.42Å; L340-R343 PolarHBondContact O-N 3.15Å; L341-R343 PolarHBondContact O-N 2.62Å
344	H	75	Confident	70.2	Confident	32 Å²	32	65 Å²	65	15%	0.148	33%	0.334	C	S	.	.	H	α-helix	trans	-76	-37	174.2	174.1	57.3	0	0	0	113.1	C331 L335 L340 L341 N342 R346 T347 H348	C331-H344 PolarHBondContact SG-NE2 3.49Å; L335-H344 HydrophobicContact CD1-CB 3.51Å; L340-H344 WeakPolarHBondContact O-CB 2.99Å; L340-H344 PolarHBondContact O-N 2.78Å; L341-H344 CarbonylContact O-C 3.56Å; L341-H344 WeakPolarHBondContact O-CA 3.43Å; L341-H344 WeakPolarHBondContact O-CB 3.39Å; L341-H344 PolarHBondContact O-N 3.13Å; N342-H344 VanDerWaalsContact C-N 3.35Å; H344-R346 PolarHBondContact O-N 3.48Å; H344-T347 PolarHBondContact ND1-OG1 2.82Å; H344-T347 WeakPolarHBondContact O-CA 3.36Å; H344-T347 VanDerWaalsContact O-CB 3.31Å; H344-T347 WeakPolarHBondContact O-CB 3.31Å; H344-T347 PolarHBondContact O-N 3.06Å; H344-T347 PolarHBondContact O-OG1 2.78Å; H344-H348 AromaticContact CD2-NE2 3.94Å; H344-H348 AromaticContact CE1-NE2 3.36Å; H344-H348 PolarHBondContact CE1-NE2 3.07Å; H344-H348 AromaticContact NE2-CD2 3.81Å; H344-H348 AromaticContact NE2-NE2 3.03Å; H344-H348 PolarHBondContact NE2-NE2 2.98Å
345	L	74.6	Confident	68.9	Low	3 Å²	3	69.5 Å²	69.5	2%	0.016	36%	0.357	C	S	.	.	H	α-helix	trans	-61.1	-32.4	176.2	-64.6	-173.2	0	0	0	112.1	C328 L341 T347 H348 G349 I350 V360	C328-L345 VanDerWaalsContact SG-CD2 3.6Å; L341-L345 HydrophobicContact CD1-CD2 4.2Å; L341-L345 HydrophobicContact CD1-CG 4.26Å; L341-L345 HydrophobicContact CG-CD1 4.45Å; L341-L345 HydrophobicContact CG-CG 4.35Å; L341-L345 WeakPolarHBondContact O-CG 3.42Å; L341-L345 PolarHBondContact O-N 3.18Å; L345-T347 PolarHBondContact O-N 3.39Å; L345-T347 VanDerWaalsContact O-N 3.13Å; L345-H348 PolarHBondContact O-N 2.93Å; L345-G349 PolarHBondContact O-N 3.29Å; L345-I350 CarbonylContact C-O 3.29Å; L345-I350 VanDerWaalsContact C-O 3.29Å; L345-I350 HydrophobicContact CB-CB 4.21Å; L345-I350 HydrophobicContact CB-CG2 4.23Å; L345-I350 PolarHBondContact O-N 3.37Å; L345-I350 VanDerWaalsContact O-N 3.09Å; L345-V360 HydrophobicContact CD1-CB 4.33Å; L345-V360 HydrophobicContact CD1-CG1 3.92Å; L345-V360 HydrophobicContact CD2-CG1 3.58Å; L345-V360 HydrophobicContact CG-CG1 4.35Å
346	R	77.2	Confident	67.9	Low	120 Å²	120	75.1 Å²	75.1	45%	0.453	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	-57.3	-23.3	168.9	-64	173	-157.7	-168.2	5.2	113.3	D37 N342 H344 G349 I350	D37-R346 IonicContact OD1-NH1 2.84Å; D37-R346 IonicContact OD2-CZ 3Å; D37-R346 IonicContact OD2-NH1 2.75Å; D37-R346 PolarHBondContact OD2-NH1 2.71Å; D37-R346 IonicContact OD2-NH2 2.93Å; D37-R346 PolarHBondContact OD2-NH2 3.21Å; N342-R346 WeakPolarHBondContact O-CG 3.25Å; N342-R346 PolarHBondContact O-N 3.33Å; H344-R346 PolarHBondContact O-N 3.48Å; R346-G349 PolarHBondContact O-N 3.35Å; R346-I350 VanDerWaalsContact CA-O 3.25Å; R346-I350 WeakPolarHBondContact CA-O 3.49Å; R346-I350 PolarHBondContact N-O 3.49Å
347	T	76.5	Confident	67.3	Low	100 Å²	100	76.2 Å²	76.2	61%	0.613	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-79	-22	175	72.7	0	0	0	0	113.6	H344 L345 G349	H344-T347 PolarHBondContact ND1-OG1 2.82Å; H344-T347 WeakPolarHBondContact O-CA 3.36Å; H344-T347 VanDerWaalsContact O-CB 3.31Å; H344-T347 WeakPolarHBondContact O-CB 3.31Å; H344-T347 PolarHBondContact O-N 3.06Å; H344-T347 PolarHBondContact O-OG1 2.78Å; L345-T347 PolarHBondContact O-N 3.39Å; L345-T347 VanDerWaalsContact O-N 3.13Å; T347-G349 VanDerWaalsContact C-N 3.28Å
348	H	71.4	Confident	66.7	Low	71 Å²	71	80.9 Å²	80.9	33%	0.329	42%	0.419	S	S	.	.	G	3₁₀ helix	trans	-87.8	7.3	168.4	-58.7	-60.4	0	0	0	112.8	C328 L330 H344 L345 I350	C328-H348 PolarHBondContact SG-NE2 2.9Å; L330-H348 HydrophobicContact CD1-CB 3.74Å; H344-H348 AromaticContact CD2-NE2 3.94Å; H344-H348 AromaticContact CE1-NE2 3.36Å; H344-H348 PolarHBondContact CE1-NE2 3.07Å; H344-H348 AromaticContact NE2-CD2 3.81Å; H344-H348 AromaticContact NE2-NE2 3.03Å; H344-H348 PolarHBondContact NE2-NE2 2.98Å; L345-H348 PolarHBondContact O-N 2.93Å; H348-I350 PolarHBondContact O-N 2.86Å
349	G	72.4	Confident	66.2	Low	61 Å²	61	84.7 Å²	84.7	63%	0.629	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	78	-2.5	-174.4	0	0	0	0	0	115	L345 R346 T347	L345-G349 PolarHBondContact O-N 3.29Å; R346-G349 PolarHBondContact O-N 3.35Å; T347-G349 VanDerWaalsContact C-N 3.28Å
350	I	68	Low	65.9	Low	51 Å²	51	82.6 Å²	82.6	26%	0.262	43%	0.426	S	S	.	.			trans	-77.5	135.3	179.1	-65.6	178.4	0	0	0	109.9	L330 L345 R346 H348 V360	L330-I350 HydrophobicContact CD1-CD1 3.62Å; L345-I350 CarbonylContact C-O 3.29Å; L345-I350 VanDerWaalsContact C-O 3.29Å; L345-I350 HydrophobicContact CB-CB 4.21Å; L345-I350 HydrophobicContact CB-CG2 4.23Å; L345-I350 PolarHBondContact O-N 3.37Å; L345-I350 VanDerWaalsContact O-N 3.09Å; R346-I350 VanDerWaalsContact CA-O 3.25Å; R346-I350 WeakPolarHBondContact CA-O 3.49Å; R346-I350 PolarHBondContact N-O 3.49Å; H348-I350 PolarHBondContact O-N 2.86Å; I350-V360 HydrophobicContact CD1-CG1 3.51Å; I350-V360 HydrophobicContact CD1-CG2 4.19Å
351	K	62.8	Low	65.9	Low	155 Å²	155	81.9 Å²	81.9	67%	0.674	42%	0.42	S	S	*	.			trans	-111.8	155.5	171	-61.8	175.7	-177.8	175	0	107.9	N353	K351-N353 PolarHBondContact O-N 3.28Å; K351-N353 VanDerWaalsContact O-N 3.08Å
352	K	57.7	Low	65.7	Low	112 Å²	112	86.7 Å²	86.7	49%	0.487	44%	0.444	S	S	.	.			trans	-46.7	120.4	166.8	-80.6	-165.5	167.2	-161.7	0	107.8	D602	K352-D602 IonicContact NZ-OD1 4Å; K352-D602 PolarHBondContact NZ-OD1 3.11Å
353	N	49.9	Very low	65.8	Low	113 Å²	113	88.8 Å²	88.8	60%	0.604	45%	0.452	S	S	*	.			trans	-113.7	131.4	164	-161.6	12.9	0	0	0	105.7	K351 D355	K351-N353 PolarHBondContact O-N 3.28Å; K351-N353 VanDerWaalsContact O-N 3.08Å; N353-D355 PolarHBondContact O-N 3.45Å; N353-D355 VanDerWaalsContact O-N 3.08Å
354	I	50.6	Low	65.5	Low	165 Å²	165	82.1 Å²	82.1	85%	0.846	43%	0.427	S	S	*	.	S	Bend	trans	-67.1	-20.7	-161.3	-67.9	172.2	0	0	0	111.8
355	D	44.6	Very low	64.9	Low	109 Å²	109	86.9 Å²	86.9	58%	0.583	45%	0.454	S	S	*	.	S	Bend	trans	-113.3	131.4	175.6	-41.4	-72.9	0	0	0	111.4	N353	N353-D355 PolarHBondContact O-N 3.45Å; N353-D355 VanDerWaalsContact O-N 3.08Å
356	N	49.6	Very low	64.2	Low	132 Å²	132	87.8 Å²	87.8	71%	0.706	46%	0.462	S	S	*	.			trans	81.3	31.4	169.5	-40.7	-82.8	0	0	0	119	T358	N356-T358 PolarHBondContact O-N 2.84Å
357	D	58.8	Low	63.4	Low	42 Å²	42	86.3 Å²	86.3	23%	0.225	47%	0.468	C	S	.	.	G	3₁₀ helix	trans	-58.4	-20.7	177.9	-113.8	4.4	0	0	0	114.8	D359 V360 W361	D357-D359 VanDerWaalsContact C-N 3.31Å; D357-D359 PolarHBondContact O-N 2.88Å; D357-V360 PolarHBondContact O-N 2.75Å; D357-W361 PolarHBondContact O-NE1 2.72Å
358	T	60.9	Low	62.5	Low	104 Å²	104	86.5 Å²	86.5	64%	0.638	46%	0.46	S	S	*	.	G	3₁₀ helix	trans	-66	-21.6	-174.6	47.3	0	0	0	0	115.3	K329 N356	K329-T358 PolarHBondContact NZ-O 3.49Å; N356-T358 PolarHBondContact O-N 2.84Å
359	D	64.2	Low	62	Low	128 Å²	128	90.5 Å²	90.5	68%	0.684	48%	0.479	S	S	*	.	G	3₁₀ helix	trans	-77.2	-22.2	-177.5	-93	-18.4	0	0	0	113.5	K329 D357	K329-D359 WeakPolarHBondContact CD-O 3.42Å; K329-D359 PolarHBondContact NZ-O 3.4Å; K329-D359 VanDerWaalsContact NZ-O 3.13Å; D357-D359 VanDerWaalsContact C-N 3.31Å; D357-D359 PolarHBondContact O-N 2.88Å
360	V	69	Low	61.5	Low	28 Å²	28	92.5 Å²	92.5	17%	0.17	47%	0.472	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-22.8	-172.5	-169.2	0	0	0	0	113.2	K329 L330 L345 I350 D357	K329-V360 WeakPolarHBondContact CB-O 3.49Å; K329-V360 PolarHBondContact N-O 3.08Å; K329-V360 VanDerWaalsContact N-O 3.08Å; L330-V360 HydrophobicContact CD1-CG1 4.04Å; L330-V360 HydrophobicContact CG-CG1 4.4Å; L345-V360 HydrophobicContact CD1-CB 4.33Å; L345-V360 HydrophobicContact CD1-CG1 3.92Å; L345-V360 HydrophobicContact CD2-CG1 3.58Å; L345-V360 HydrophobicContact CG-CG1 4.35Å; I350-V360 HydrophobicContact CD1-CG1 3.51Å; I350-V360 HydrophobicContact CD1-CG2 4.19Å; D357-V360 PolarHBondContact O-N 2.75Å
361	W	76.3	Confident	61.1	Low	31 Å²	31	90.4 Å²	90.4	12%	0.117	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	-178.1	-177.2	63.5	-84.4	0	0	0	112	Y326 L327 K329 L341 D357 K363	Y326-W361 AromaticContact CD1-CE3 3.88Å; Y326-W361 HydrophobicContact CD1-CE3 3.88Å; Y326-W361 HydrophobicContact CD1-CH2 4.09Å; Y326-W361 AromaticContact CD1-CZ3 3.45Å; Y326-W361 HydrophobicContact CD1-CZ3 3.45Å; Y326-W361 VanDerWaalsContact CD1-CZ3 3.45Å; Y326-W361 HydrophobicContact CE1-CH2 4.22Å; Y326-W361 AromaticContact CE1-CZ3 3.95Å; Y326-W361 HydrophobicContact CE1-CZ3 3.95Å; L327-W361 CarbonylContact O-C 3.59Å; L327-W361 WeakPolarHBondContact O-CA 3.48Å; L327-W361 VanDerWaalsContact O-CB 3.23Å; L327-W361 WeakPolarHBondContact O-CB 3.19Å; K329-W361 WeakPolarHBondContact CE-O 3.42Å; K329-W361 PolarHBondContact NZ-O 2.95Å; L341-W361 HydrophobicContact CD1-CB 4.07Å; L341-W361 HydrophobicContact CD2-CB 3.54Å; L341-W361 HydrophobicContact CD2-CD2 3.3Å; L341-W361 HydrophobicContact CD2-CE3 3.61Å; L341-W361 HydrophobicContact CD2-CG 3.26Å; L341-W361 HydrophobicContact CD2-CZ3 4.46Å; L341-W361 HydrophobicContact CG-CB 4.35Å; L341-W361 HydrophobicContact CG-CG 4.37Å; D357-W361 PolarHBondContact O-NE1 2.72Å; W361-K363 HydrophobicContact CZ3-CB 3.94Å
362	M	72.4	Confident	61.2	Low	101 Å²	101	88 Å²	88	50%	0.498	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	135.3	175.5	-170.2	164	177.9	0	0	110.5	P325 L327 I364	P325-M362 VanDerWaalsContact O-O 3.08Å; L327-M362 PolarHBondContact N-O 3.06Å; L327-M362 PolarHBondContact O-N 3.37Å; M362-I364 HydrophobicContact CG-CG1 4.3Å
363	K	76.8	Confident	61.6	Low	57 Å²	57	88.2 Å²	88.2	25%	0.248	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	124.8	162.8	-160.3	172.1	171.2	169.5	0	106.1	P325 W361 D365 D598 D600	P325-K363 CarbonylContact O-C 3.5Å; P325-K363 WeakPolarHBondContact O-CA 3.36Å; W361-K363 HydrophobicContact CZ3-CB 3.94Å; K363-D365 WeakPolarHBondContact CE-OD1 3.49Å; K363-D598 IonicContact NZ-OD1 3.9Å; K363-D598 PolarHBondContact NZ-OD1 3.38Å; K363-D600 IonicContact NZ-OD2 3.31Å; K363-D600 PolarHBondContact NZ-OD2 3.19Å
364	I	67.7	Low	62.2	Low	9 Å²	9	85.4 Å²	85.4	5%	0.046	45%	0.447	C	S	.	.			trans	-115.4	99	177.6	-54.5	179.7	0	0	0	107.6	P325 L327 M362 A366 V371 I374	P325-I364 WeakPolarHBondContact CB-O 3.44Å; P325-I364 PolarHBondContact O-N 3.35Å; L327-I364 HydrophobicContact CB-CD1 3.65Å; L327-I364 HydrophobicContact CB-CG1 4.23Å; L327-I364 HydrophobicContact CD2-CD1 3.99Å; L327-I364 HydrophobicContact CG-CD1 4.26Å; M362-I364 HydrophobicContact CG-CG1 4.3Å; I364-A366 HydrophobicContact CG2-CB 3.58Å; I364-A366 PolarHBondContact O-N 2.92Å; I364-V371 HydrophobicContact CB-CG2 4.31Å; I364-V371 HydrophobicContact CG2-CG2 3.81Å; I364-I374 HydrophobicContact CD1-CB 4.27Å; I364-I374 HydrophobicContact CD1-CD1 4.28Å; I364-I374 HydrophobicContact CD1-CG2 3.83Å; I364-I374 HydrophobicContact CG2-CD1 3.97Å
365	D	62.5	Low	62.9	Low	133 Å²	133	78.4 Å²	78.4	71%	0.711	41%	0.413	S	S	*	.			trans	-85.9	46.6	-178.8	-53	-66.3	0	0	0	111.2	K363	K363-D365 WeakPolarHBondContact CE-OD1 3.49Å
366	A	59.2	Low	64	Low	21 Å²	21	75.9 Å²	75.9	17%	0.174	41%	0.407	C	S	.	.	S	Bend	trans	-120.6	157.2	-171.7	0	0	0	0	0	112	I364 E370 V371	I364-A366 HydrophobicContact CG2-CB 3.58Å; I364-A366 PolarHBondContact O-N 2.92Å; A366-E370 HydrophobicContact CB-CB 4Å; A366-E370 HydrophobicContact CB-CG 3.95Å; A366-V371 HydrophobicContact CB-CG2 4.34Å; A366-V371 WeakPolarHBondContact O-CG2 3.37Å
367	P	60.4	Low	64.9	Low	90 Å²	90	73.5 Å²	73.5	58%	0.584	39%	0.392	S	S	*	.			trans	-61.1	154.2	174.7	26	-34.9	0	0	0	112.1	E369 E370 V371	P367-E369 PolarHBondContact O-N 3Å; P367-E370 HydrophobicContact CG-CB 4.32Å; P367-E370 PolarHBondContact O-N 2.73Å; P367-V371 PolarHBondContact O-N 3.33Å; P367-V371 VanDerWaalsContact O-N 3.12Å
368	K	57.9	Low	65.3	Low	103 Å²	103	73.2 Å²	73.2	45%	0.448	39%	0.392	S	S	.	.	H	α-helix	trans	-49.5	-34.9	-172.7	-179.8	177.1	176.1	-179.2	0	115	L372	K368-L372 HydrophobicContact CG-CD1 4.28Å; K368-L372 VanDerWaalsContact O-CG 3.27Å; K368-L372 WeakPolarHBondContact O-CG 3.44Å; K368-L372 PolarHBondContact O-N 3.39Å; K368-L372 VanDerWaalsContact O-N 3.13Å
369	E	60.1	Low	65.7	Low	156 Å²	156	69.5 Å²	69.5	73%	0.729	37%	0.374	S	S	*	.	H	α-helix	trans	-70.3	-39.3	179.4	-61.7	-177	174.2	0	0	111.9	P367 L372 N373	P367-E369 PolarHBondContact O-N 3Å; E369-L372 PolarHBondContact O-N 3.49Å; E369-N373 VanDerWaalsContact O-CG 3.22Å; E369-N373 PolarHBondContact O-N 2.98Å; E369-N373 PolarHBondContact O-ND2 2.95Å
370	E	62.5	Low	65.9	Low	102 Å²	102	71 Å²	71	48%	0.477	37%	0.37	S	S	.	.	H	α-helix	trans	-71.6	-40.8	176.8	-174.2	166.8	-168.2	0	0	111.6	A366 P367 L372 N373 I374	A366-E370 HydrophobicContact CB-CB 4Å; A366-E370 HydrophobicContact CB-CG 3.95Å; P367-E370 HydrophobicContact CG-CB 4.32Å; P367-E370 PolarHBondContact O-N 2.73Å; E370-L372 VanDerWaalsContact C-N 3.26Å; E370-L372 PolarHBondContact O-N 2.97Å; E370-N373 PolarHBondContact O-N 3.48Å; E370-N373 VanDerWaalsContact O-N 3.15Å; E370-I374 HydrophobicContact CG-CD1 3.91Å; E370-I374 HydrophobicContact CG-CG1 4.46Å; E370-I374 WeakPolarHBondContact O-CG1 3.46Å; E370-I374 PolarHBondContact O-N 3.31Å
371	V	60.1	Low	65.8	Low	8 Å²	8	71.9 Å²	71.9	5%	0.048	38%	0.375	C	S	.	.	H	α-helix	trans	-56.2	-41.3	171.3	177.7	0	0	0	0	111.4	C334 I364 A366 P367 A375	C334-V371 HydrophobicContact CB-CG1 4.27Å; I364-V371 HydrophobicContact CB-CG2 4.31Å; I364-V371 HydrophobicContact CG2-CG2 3.81Å; A366-V371 HydrophobicContact CB-CG2 4.34Å; A366-V371 WeakPolarHBondContact O-CG2 3.37Å; P367-V371 PolarHBondContact O-N 3.33Å; P367-V371 VanDerWaalsContact O-N 3.12Å; V371-A375 VanDerWaalsContact O-CB 3.28Å; V371-A375 WeakPolarHBondContact O-CB 3.4Å; V371-A375 PolarHBondContact O-N 3.15Å
372	L	64.1	Low	65.4	Low	105 Å²	105	72.5 Å²	72.5	55%	0.55	38%	0.381	S	S	.	.	H	α-helix	trans	-70.1	-38.7	176.8	-74.6	168.5	0	0	0	112.5	K368 E369 E370 A375 A376	K368-L372 HydrophobicContact CG-CD1 4.28Å; K368-L372 VanDerWaalsContact O-CG 3.27Å; K368-L372 WeakPolarHBondContact O-CG 3.44Å; K368-L372 PolarHBondContact O-N 3.39Å; K368-L372 VanDerWaalsContact O-N 3.13Å; E369-L372 PolarHBondContact O-N 3.49Å; E370-L372 VanDerWaalsContact C-N 3.26Å; E370-L372 PolarHBondContact O-N 2.97Å; L372-A375 PolarHBondContact O-N 2.91Å; L372-A376 WeakPolarHBondContact O-CB 3.47Å; L372-A376 PolarHBondContact O-N 3.25Å
373	N	65.7	Low	65.2	Low	115 Å²	115	70.6 Å²	70.6	62%	0.615	38%	0.378	S	S	*	.	H	α-helix	trans	-66.7	-42.5	176.6	-71.2	-22.5	0	0	0	112	E369 E370 A376 E377	E369-N373 VanDerWaalsContact O-CG 3.22Å; E369-N373 PolarHBondContact O-N 2.98Å; E369-N373 PolarHBondContact O-ND2 2.95Å; E370-N373 PolarHBondContact O-N 3.48Å; E370-N373 VanDerWaalsContact O-N 3.15Å; N373-A376 PolarHBondContact O-N 3.4Å; N373-E377 WeakPolarHBondContact O-CB 3.35Å; N373-E377 PolarHBondContact O-N 3.34Å
374	I	62	Low	64.9	Low	55 Å²	55	73 Å²	73	28%	0.282	39%	0.39	S	S	.	.	H	α-helix	trans	-65.2	-42.2	175.4	-65.1	165.1	0	0	0	110.6	L327 I364 E370 A376 E377 V378	L327-I374 HydrophobicContact CD2-CG2 4.07Å; I364-I374 HydrophobicContact CD1-CB 4.27Å; I364-I374 HydrophobicContact CD1-CD1 4.28Å; I364-I374 HydrophobicContact CD1-CG2 3.83Å; I364-I374 HydrophobicContact CG2-CD1 3.97Å; E370-I374 HydrophobicContact CG-CD1 3.91Å; E370-I374 HydrophobicContact CG-CG1 4.46Å; E370-I374 WeakPolarHBondContact O-CG1 3.46Å; E370-I374 PolarHBondContact O-N 3.31Å; I374-A376 PolarHBondContact O-N 2.91Å; I374-E377 PolarHBondContact O-N 3.02Å; I374-V378 WeakPolarHBondContact O-CG2 3.4Å; I374-V378 PolarHBondContact O-N 3.38Å
375	A	65.5	Low	64.4	Low	18 Å²	18	80.4 Å²	80.4	15%	0.149	42%	0.417	C	S	.	.	H	α-helix	trans	-62.3	-41.6	175	0	0	0	0	0	112.5	L327 V371 L372 G379	L327-A375 HydrophobicContact CD1-CB 4.12Å; V371-A375 VanDerWaalsContact O-CB 3.28Å; V371-A375 WeakPolarHBondContact O-CB 3.4Å; V371-A375 PolarHBondContact O-N 3.15Å; L372-A375 PolarHBondContact O-N 2.91Å; A375-G379 PolarHBondContact O-N 3.4Å
376	A	67.7	Low	64.3	Low	55 Å²	55	80.1 Å²	80.1	46%	0.455	41%	0.411	S	S	.	.	H	α-helix	trans	-64.1	-40.1	174.6	0	0	0	0	0	111.8	L372 N373 I374 G379 R380	L372-A376 WeakPolarHBondContact O-CB 3.47Å; L372-A376 PolarHBondContact O-N 3.25Å; N373-A376 PolarHBondContact O-N 3.4Å; I374-A376 PolarHBondContact O-N 2.91Å; A376-G379 WeakPolarHBondContact O-CA 3.45Å; A376-G379 PolarHBondContact O-N 3.11Å; A376-R380 WeakPolarHBondContact O-CG 3.43Å; A376-R380 PolarHBondContact O-N 3.24Å
377	E	68.8	Low	64	Low	83 Å²	83	83.8 Å²	83.8	39%	0.388	43%	0.428	S	S	.	.	H	α-helix	trans	-67.8	-45	178.1	-172.2	58.2	-163	0	0	112.5	N373 I374 G379 R380 V381	N373-E377 WeakPolarHBondContact O-CB 3.35Å; N373-E377 PolarHBondContact O-N 3.34Å; I374-E377 PolarHBondContact O-N 3.02Å; E377-G379 PolarHBondContact O-N 3.17Å; E377-R380 WeakPolarHBondContact O-CB 3.26Å; E377-R380 PolarHBondContact O-N 3.11Å; E377-R380 VanDerWaalsContact O-N 3.07Å; E377-R380 IonicContact OE2-CZ 2.47Å; E377-R380 IonicContact OE2-NE 3.72Å; E377-R380 PolarHBondContact OE2-NE 3.26Å; E377-R380 IonicContact OE2-NH2 3.58Å; E377-R380 PolarHBondContact OE2-NH2 2.9Å; E377-V381 WeakPolarHBondContact O-CG2 3.43Å; E377-V381 PolarHBondContact O-N 3.27Å
378	V	68.4	Low	63.7	Low	35 Å²	35	85.2 Å²	85.2	21%	0.212	43%	0.427	C	S	.	.	H	α-helix	trans	-60.4	-38.2	172.3	170.9	0	0	0	0	110.7	L327 I374 L382	L327-V378 HydrophobicContact CD2-CG2 4.1Å; I374-V378 WeakPolarHBondContact O-CG2 3.4Å; I374-V378 PolarHBondContact O-N 3.38Å; V378-L382 HydrophobicContact CG1-CD1 3.78Å; V378-L382 HydrophobicContact CG1-CG 4.33Å; V378-L382 WeakPolarHBondContact O-CB 3.33Å; V378-L382 WeakPolarHBondContact O-CD1 3.23Å; V378-L382 WeakPolarHBondContact O-CG 3.27Å; V378-L382 PolarHBondContact O-N 2.91Å
379	G	68.1	Low	63.5	Low	26 Å²	26	84.2 Å²	84.2	27%	0.268	43%	0.433	S	S	.	.	H	α-helix	trans	-57.6	-48.3	169.6	0	0	0	0	0	113.2	A375 A376 E377 L382 S383	A375-G379 PolarHBondContact O-N 3.4Å; A376-G379 WeakPolarHBondContact O-CA 3.45Å; A376-G379 PolarHBondContact O-N 3.11Å; E377-G379 PolarHBondContact O-N 3.17Å; G379-L382 PolarHBondContact O-N 3.5Å; G379-S383 PolarHBondContact O-N 3.31Å; G379-S383 PolarHBondContact O-OG 3.07Å
380	R	69.8	Low	63.1	Low	160 Å²	160	81.8 Å²	81.8	60%	0.604	42%	0.424	S	S	*	.	H	α-helix	trans	-59.7	-49.3	177.1	-72.4	-161.8	-72.7	-151	-0.1	111.9	A376 E377 L382 S383 Q384	A376-R380 WeakPolarHBondContact O-CG 3.43Å; A376-R380 PolarHBondContact O-N 3.24Å; E377-R380 WeakPolarHBondContact O-CB 3.26Å; E377-R380 PolarHBondContact O-N 3.11Å; E377-R380 VanDerWaalsContact O-N 3.07Å; E377-R380 IonicContact OE2-CZ 2.47Å; E377-R380 IonicContact OE2-NE 3.72Å; E377-R380 PolarHBondContact OE2-NE 3.26Å; E377-R380 IonicContact OE2-NH2 3.58Å; E377-R380 PolarHBondContact OE2-NH2 2.9Å; R380-L382 VanDerWaalsContact C-N 3.34Å; R380-L382 PolarHBondContact O-N 2.73Å; R380-S383 PolarHBondContact O-N 2.75Å; R380-Q384 WeakPolarHBondContact O-CG 3.44Å; R380-Q384 PolarHBondContact O-N 2.26Å
381	V	66.5	Low	62.3	Low	46 Å²	46	82.7 Å²	82.7	28%	0.279	43%	0.432	S	S	.	.	H	α-helix	trans	-63.8	-38.6	-179.2	173.6	0	0	0	0	111.7	E377 R385	E377-V381 WeakPolarHBondContact O-CG2 3.43Å; E377-V381 PolarHBondContact O-N 3.27Å; V381-R385 WeakPolarHBondContact O-CG 3.34Å; V381-R385 PolarHBondContact O-N 2.62Å; V381-R385 VanDerWaalsContact O-N 3.16Å
382	L	67.8	Low	61.7	Low	45 Å²	45	88.5 Å²	88.5	24%	0.236	46%	0.463	C	S	.	.	H	α-helix	trans	-67.8	-41.4	175.8	-70.8	170	0	0	0	112	V378 G379 R380 Q386	V378-L382 HydrophobicContact CG1-CD1 3.78Å; V378-L382 HydrophobicContact CG1-CG 4.33Å; V378-L382 WeakPolarHBondContact O-CB 3.33Å; V378-L382 WeakPolarHBondContact O-CD1 3.23Å; V378-L382 WeakPolarHBondContact O-CG 3.27Å; V378-L382 PolarHBondContact O-N 2.91Å; G379-L382 PolarHBondContact O-N 3.5Å; R380-L382 VanDerWaalsContact C-N 3.34Å; R380-L382 PolarHBondContact O-N 2.73Å; L382-Q386 WeakPolarHBondContact O-CG 3.45Å; L382-Q386 PolarHBondContact O-N 2.69Å
383	S	68	Low	60.9	Low	61 Å²	61	90.1 Å²	90.1	43%	0.427	47%	0.472	S	S	.	.	H	α-helix	trans	-68.2	-35.1	174.6	-67.5	0	0	0	0	113.2	G379 R380 Q386 N387	G379-S383 PolarHBondContact O-N 3.31Å; G379-S383 PolarHBondContact O-OG 3.07Å; R380-S383 PolarHBondContact O-N 2.75Å; S383-Q386 PolarHBondContact O-N 3.41Å; S383-N387 PolarHBondContact O-N 2.93Å; S383-N387 VanDerWaalsContact O-N 3.09Å
384	Q	69.7	Low	59.8	Low	107 Å²	107	90.3 Å²	90.3	50%	0.5	47%	0.474	S	S	.	.	H	α-helix	trans	-60.2	-50.9	173.6	-78.8	170.6	-19.5	0	0	111.1	R380 Q386 N387 E388	R380-Q384 WeakPolarHBondContact O-CG 3.44Å; R380-Q384 PolarHBondContact O-N 2.26Å; Q384-Q386 PolarHBondContact O-N 2.86Å; Q384-N387 PolarHBondContact O-N 2.74Å; Q384-E388 WeakPolarHBondContact O-CG 3.34Å; Q384-E388 PolarHBondContact O-N 3.07Å
385	R	58.6	Low	58.8	Low	165 Å²	165	95.5 Å²	95.5	62%	0.623	50%	0.496	S	S	*	.	H	α-helix	trans	-60.2	-33	177.2	-68.7	179.9	-170.4	-171.8	4.3	113.4	V381 S389	V381-R385 WeakPolarHBondContact O-CG 3.34Å; V381-R385 PolarHBondContact O-N 2.62Å; V381-R385 VanDerWaalsContact O-N 3.16Å; R385-S389 WeakPolarHBondContact O-CB 3.4Å; R385-S389 PolarHBondContact O-N 3Å; R385-S389 VanDerWaalsContact O-N 3.11Å
386	Q	59.3	Low	57.2	Low	127 Å²	127	99.9 Å²	99.9	59%	0.593	52%	0.521	S	S	*	.	H	α-helix	trans	-68.7	-36.9	175.2	-74.5	175.7	-0.7	0	0	112.2	L382 S383 Q384 L390	L382-Q386 WeakPolarHBondContact O-CG 3.45Å; L382-Q386 PolarHBondContact O-N 2.69Å; S383-Q386 PolarHBondContact O-N 3.41Å; Q384-Q386 PolarHBondContact O-N 2.86Å; Q386-L390 WeakPolarHBondContact O-CD1 3.33Å; Q386-L390 WeakPolarHBondContact O-CG 3.2Å
387	N	52.6	Low	55.8	Low	98 Å²	98	103.4 Å²	103.4	52%	0.524	54%	0.537	S	S	.	.	H	α-helix	trans	-75.5	-43.1	176.2	-65.3	-15	0	0	0	112.1	S383 Q384 S389 L390 D391	S383-N387 PolarHBondContact O-N 2.93Å; S383-N387 VanDerWaalsContact O-N 3.09Å; Q384-N387 PolarHBondContact O-N 2.74Å; N387-S389 PolarHBondContact O-N 3.44Å; N387-L390 WeakPolarHBondContact O-CA 3.31Å; N387-L390 PolarHBondContact O-N 3.5Å; N387-D391 PolarHBondContact O-N 3.16Å
388	E	55.8	Low	54.1	Low	119 Å²	119	106.2 Å²	106.2	56%	0.556	56%	0.56	S	S	*	*	H	α-helix	trans	-58.1	-31	173.9	-70	172.5	161.7	0	0	111.9	Q384 L390 N392	Q384-E388 WeakPolarHBondContact O-CG 3.34Å; Q384-E388 PolarHBondContact O-N 3.07Å; E388-L390 VanDerWaalsContact C-N 3.31Å; E388-N392 PolarHBondContact O-ND2 3.01Å
389	S	52.2	Low	52.7	Low	82 Å²	82	111.9 Å²	111.9	57%	0.573	59%	0.588	S	S	*	*	H	α-helix	trans	-74.6	-13.9	173	-170.9	0	0	0	0	114.6	R385 N387	R385-S389 WeakPolarHBondContact O-CB 3.4Å; R385-S389 PolarHBondContact O-N 3Å; R385-S389 VanDerWaalsContact O-N 3.11Å; N387-S389 PolarHBondContact O-N 3.44Å
390	L	51.8	Low	51.3	Low	105 Å²	105	118.1 Å²	118.1	55%	0.55	62%	0.615	S	S	.	*	H	α-helix	trans	-103.7	-29.8	-179	-69.8	168.5	0	0	0	112.5	Q386 N387 E388 N392 N394	Q386-L390 WeakPolarHBondContact O-CD1 3.33Å; Q386-L390 WeakPolarHBondContact O-CG 3.2Å; N387-L390 WeakPolarHBondContact O-CA 3.31Å; N387-L390 PolarHBondContact O-N 3.5Å; E388-L390 VanDerWaalsContact C-N 3.31Å; L390-N392 VanDerWaalsContact C-N 3.31Å; L390-N392 PolarHBondContact O-N 3.01Å; L390-N394 PolarHBondContact O-ND2 3.02Å; L390-N394 VanDerWaalsContact O-ND2 3.16Å
391	D	47	Very low	49.5	Very low	121 Å²	121	117.9 Å²	117.9	65%	0.647	63%	0.626	S	S	*	*	H	α-helix	trans	-72.1	-25	178	-70.4	-37.6	0	0	0	112.7	N387	N387-D391 PolarHBondContact O-N 3.16Å
392	N	47.4	Very low	48.1	Very low	130 Å²	130	123.3 Å²	123.3	70%	0.695	65%	0.653	S	S	*	*	G	3₁₀ helix	trans	-72.6	-25.9	177.1	-81.1	-74.4	0	0	0	114.2	E388 L390 N394	E388-N392 PolarHBondContact O-ND2 3.01Å; L390-N392 VanDerWaalsContact C-N 3.31Å; L390-N392 PolarHBondContact O-N 3.01Å; N392-N394 VanDerWaalsContact C-N 3.25Å; N392-N394 PolarHBondContact O-N 3.33Å
393	D	45.5	Very low	46.6	Very low	139 Å²	139	127.2 Å²	127.2	74%	0.743	68%	0.684	S	S	*	*	G	3₁₀ helix	trans	-77.2	-8.2	-179	-78.2	-16.8	0	0	0	113.5
394	N	43.4	Very low	44.9	Very low	120 Å²	120	130 Å²	130	64%	0.642	70%	0.704	S	S	*	*	G	3₁₀ helix	trans	-90.8	1.6	-174.1	-80.5	-71.1	0	0	0	115	L390 N392 T396	L390-N394 PolarHBondContact O-ND2 3.02Å; L390-N394 VanDerWaalsContact O-ND2 3.16Å; N392-N394 VanDerWaalsContact C-N 3.25Å; N392-N394 PolarHBondContact O-N 3.33Å; N394-T396 VanDerWaalsContact C-N 3.27Å; N394-T396 PolarHBondContact O-N 3.4Å
395	H	41.8	Very low	43	Very low	164 Å²	164	131.3 Å²	131.3	76%	0.759	71%	0.714	S	S	*	*			trans	-82.8	62.3	-173	-143.4	-20.2	0	0	0	115.1
396	T	32	Very low	41.7	Very low	110 Å²	110	130.8 Å²	130.8	68%	0.675	72%	0.721	S	S	*	*			trans	42.1	91.5	141.6	61.5	0	0	0	0	118.6	N394	N394-T396 VanDerWaalsContact C-N 3.27Å; N394-T396 PolarHBondContact O-N 3.4Å
397	T	38.1	Very low	40.4	Very low	129 Å²	129	132.3 Å²	132.3	79%	0.791	73%	0.728	S	S	*	*			trans	-124	110.5	149.2	54	0	0	0	0	110.6	I399	T397-I399 PolarHBondContact O-N 3.46Å
398	T	32.3	Very low	39.1	Very low	142 Å²	142	133.4 Å²	133.4	87%	0.871	74%	0.743	S	S	*	*			trans	-71.5	118.3	175	43.1	0	0	0	0	110.7
399	I	40.1	Very low	38	Very low	154 Å²	154	133 Å²	133	79%	0.79	75%	0.75	S	S	*	*			trans	-132.2	138.5	165.1	-60	-177.7	0	0	0	107.6	T397	T397-I399 PolarHBondContact O-N 3.46Å
400	D	37.1	Very low	36.9	Very low	156 Å²	156	137.2 Å²	137.2	83%	0.834	76%	0.759	S	S	*	*			trans	-75.3	143.9	-158	-62.5	-72.7	0	0	0	116.1	N402	D400-N402 PolarHBondContact O-N 2.92Å
401	N	32.2	Very low	35.9	Very low	156 Å²	156	140.2 Å²	140.2	83%	0.834	77%	0.774	S	S	*	*			trans	-70.8	94.8	170.3	-68.9	-74.9	0	0	0	110.9
402	N	36.8	Very low	34.9	Very low	159 Å²	159	142.8 Å²	142.8	85%	0.85	78%	0.782	S	S	*	*			trans	-168.1	76.4	157.1	-99	-40.3	0	0	0	114	D400	D400-N402 PolarHBondContact O-N 2.92Å
403	S	36.7	Very low	34.1	Very low	127 Å²	127	143.7 Å²	143.7	89%	0.888	78%	0.782	S	S	*	*			trans	-164	116.8	148.2	-84.7	0	0	0	0	110.7
404	S	32.9	Very low	33.2	Very low	120 Å²	120	143.4 Å²	143.4	84%	0.839	79%	0.785	S	S	*	*			trans	-79.7	153	171.6	45.7	0	0	0	0	111.1
405	N	29	Very low	32.5	Very low	135 Å²	135	146.2 Å²	146.2	72%	0.722	80%	0.799	S	S	*	*			trans	68	96.4	171.2	-174.2	34.1	0	0	0	117.2
406	M	31.5	Very low	31.8	Very low	154 Å²	154	142.5 Å²	142.5	76%	0.759	79%	0.792	S	S	*	*			trans	-169.5	155.4	135.7	-101.9	-57.9	104.2	0	0	112
407	Q	31.6	Very low	31.7	Very low	159 Å²	159	145.3 Å²	145.3	74%	0.743	80%	0.803	S	S	*	*			trans	-43.3	142.4	-174.9	-112.8	68.1	-8.5	0	0	118.2
408	S	25.6	Very low	31.4	Very low	121 Å²	121	143.6 Å²	143.6	85%	0.846	80%	0.796	S	S	*	*			trans	-61.1	133.4	168.1	-43.1	0	0	0	0	113.2
409	P	32.2	Very low	31.3	Very low	109 Å²	109	145.6 Å²	145.6	71%	0.708	79%	0.793	S	S	*	*			trans	-105.7	122.3	176.1	35.3	-28.9	0	0	0	114.6
410	K	29.8	Very low	30.7	Very low	171 Å²	171	146.1 Å²	146.1	74%	0.743	80%	0.797	S	S	*	*			trans	50.5	89.9	139.9	-56.2	179.2	-179.5	-177.7	0	119.4
411	I	30	Very low	30.4	Very low	169 Å²	169	143.3 Å²	143.3	87%	0.867	79%	0.79	S	S	*	*			trans	-127.3	50.9	145	-46.7	-179.2	0	0	0	109.2
412	E	27.7	Very low	30.2	Very low	175 Å²	175	141.2 Å²	141.2	82%	0.818	78%	0.779	S	S	*	*			trans	-138.3	71	179.8	-69.8	-170	141.4	0	0	110.2
413	Q	29.3	Very low	29.8	Very low	148 Å²	148	138.2 Å²	138.2	69%	0.692	77%	0.769	S	S	*	*	S	Bend	trans	-154.5	6.5	-178.9	-134.1	119.6	105.5	0	0	116.9
414	T	27.8	Very low	29.6	Very low	133 Å²	133	138.7 Å²	138.7	82%	0.816	76%	0.76	S	S	*	*	S	Bend	trans	-116.5	-1.9	-175.9	46.5	0	0	0	0	115	S416	T414-S416 VanDerWaalsContact C-N 3.3Å; T414-S416 PolarHBondContact O-N 3.36Å
415	L	29	Very low	29.4	Very low	179 Å²	179	140.4 Å²	140.4	94%	0.937	76%	0.759	S	S	*	*			trans	-92.5	46.3	176.8	-73.8	171.3	0	0	0	112.9
416	S	26.7	Very low	29.5	Very low	86 Å²	86	140.9 Å²	140.9	60%	0.601	76%	0.757	S	S	*	*			trans	-146.7	78.7	178.4	60.5	0	0	0	0	111.7	T414	T414-S416 VanDerWaalsContact C-N 3.3Å; T414-S416 PolarHBondContact O-N 3.36Å
417	N	30	Very low	29.5	Very low	170 Å²	170	141.1 Å²	141.1	91%	0.909	76%	0.761	S	S	*	*	S	Bend	trans	-178	75.2	160.4	-93.1	-23.1	0	0	0	111.4
418	S	31.9	Very low	29.6	Very low	93 Å²	93	137.9 Å²	137.9	65%	0.65	75%	0.752	S	S	*	*			trans	-167.9	-25.5	167	57.4	0	0	0	0	116.4	N420	S418-N420 PolarHBondContact O-N 3.21Å; S418-N420 VanDerWaalsContact O-N 3.16Å
419	F	28.6	Very low	30.2	Very low	183 Å²	183	141.7 Å²	141.7	80%	0.803	76%	0.756	S	S	*	*			trans	-90.9	78.6	-166	-66.6	-72.1	0	0	0	115.6
420	N	29.2	Very low	30.2	Very low	165 Å²	165	145.7 Å²	145.7	88%	0.882	76%	0.762	S	S	*	*			trans	-109.4	148.7	147.9	-68.8	-39.3	0	0	0	107.4	S418	S418-N420 PolarHBondContact O-N 3.21Å; S418-N420 VanDerWaalsContact O-N 3.16Å
421	S	29.9	Very low	30.2	Very low	97 Å²	97	140.7 Å²	140.7	68%	0.678	76%	0.759	S	S	*	*	S	Bend	cis	-123.2	-156.3	4.6	56.1	0	0	0	0	112.5
422	D	29.2	Very low	30.2	Very low	113 Å²	113	136.4 Å²	136.4	60%	0.604	75%	0.745	S	S	*	*			trans	80.4	22.3	167.1	-52.1	8	0	0	0	118.3	I424	D422-I424 PolarHBondContact O-N 3.46Å; D422-I424 VanDerWaalsContact O-N 3.15Å
423	C	26.5	Very low	30.4	Very low	95 Å²	95	134 Å²	134	64%	0.642	74%	0.742	S	S	*	*			trans	-80.8	85.9	170.1	-79.1	0	0	0	0	112.3	L425	C423-L425 PolarHBondContact O-N 3.19Å
424	I	32.6	Very low	30.6	Very low	137 Å²	137	129.7 Å²	129.7	70%	0.703	73%	0.725	S	S	*	*			trans	-68	112.4	165.6	-60.4	-179.7	0	0	0	108.8	D422 Q426	D422-I424 PolarHBondContact O-N 3.46Å; D422-I424 VanDerWaalsContact O-N 3.15Å; I424-Q426 HydrophobicContact CG2-CG 4.4Å
425	L	29.4	Very low	30.8	Very low	157 Å²	157	132.1 Å²	132.1	82%	0.822	73%	0.725	S	S	*	*			trans	-95.6	105.3	176.6	-67.9	173.6	0	0	0	110.3	C423	C423-L425 PolarHBondContact O-N 3.19Å
426	Q	31.5	Very low	31.7	Very low	145 Å²	145	126.3 Å²	126.3	68%	0.678	71%	0.708	S	S	*	*			trans	-112.1	116	164.8	-74.6	-168	-5.4	0	0	110.7	I424 T428	I424-Q426 HydrophobicContact CG2-CG 4.4Å; Q426-T428 PolarHBondContact O-N 3.25Å
427	L	31	Very low	32.8	Very low	159 Å²	159	127.9 Å²	127.9	83%	0.832	70%	0.701	S	S	*	*			trans	-84.5	100.2	176.2	-77.5	162.8	0	0	0	110
428	T	34.7	Very low	34.4	Very low	90 Å²	90	126.9 Å²	126.9	55%	0.552	69%	0.688	S	S	*	*			trans	-75.7	148.3	169.6	62.3	0	0	0	0	110.8	Q426 K430 G431	Q426-T428 PolarHBondContact O-N 3.25Å; T428-K430 PolarHBondContact O-N 3.1Å; T428-G431 PolarHBondContact O-N 2.71Å
429	Q	36.4	Very low	36.2	Very low	201 Å²	201	126.9 Å²	126.9	94%	0.939	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.3	9.4	-167	-61.3	179	-2.2	0	0	116.4
430	K	33.2	Very low	38.3	Very low	194 Å²	194	123.3 Å²	123.3	84%	0.843	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122	16.1	-178.6	-66.8	-175.9	177.7	176.6	0	114.4	T428 S432	T428-K430 PolarHBondContact O-N 3.1Å; K430-S432 PolarHBondContact O-N 3.42Å
431	G	30.1	Very low	40.5	Very low	66 Å²	66	116.1 Å²	116.1	68%	0.68	63%	0.626	S	S	*	*			trans	71.9	21.3	156.6	0	0	0	0	0	117.3	T428	T428-G431 PolarHBondContact O-N 2.71Å
432	S	29.1	Very low	42.5	Very low	79 Å²	79	117 Å²	117	55%	0.552	62%	0.623	S	S	*	*			trans	-91.9	107	173.6	-158.6	0	0	0	0	110.8	K430 T434	K430-S432 PolarHBondContact O-N 3.42Å; S432-T434 PolarHBondContact O-N 3.16Å; S432-T434 VanDerWaalsContact O-N 3.14Å; S432-T434 WeakPolarHBondContact OG-CG2 3.38Å
433	V	31.9	Very low	44.6	Very low	125 Å²	125	116 Å²	116	76%	0.758	62%	0.618	S	S	*	*			trans	-82.3	87.2	177.7	-176	0	0	0	0	109.4	F435	V433-F435 PolarHBondContact O-N 2.87Å
434	T	34.8	Very low	46.9	Very low	57 Å²	57	113.6 Å²	113.6	35%	0.35	60%	0.601	S	S	.	*			trans	-95.7	85.6	-173.3	63.8	0	0	0	0	112.9	S432	S432-T434 PolarHBondContact O-N 3.16Å; S432-T434 VanDerWaalsContact O-N 3.14Å; S432-T434 WeakPolarHBondContact OG-CG2 3.38Å
435	F	30.7	Very low	48.8	Very low	183 Å²	183	112.6 Å²	112.6	80%	0.803	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.1	138.2	177.2	-141.3	-98.9	0	0	0	112.5	V433 R437	V433-F435 PolarHBondContact O-N 2.87Å; F435-R437 PolarHBondContact O-N 3.05Å
436	G	48.5	Very low	50.9	Low	57 Å²	57	106.2 Å²	106.2	59%	0.588	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	68.7	12.8	165.2	0	0	0	0	0	118.5
437	R	50.1	Low	52.8	Low	119 Å²	119	99.4 Å²	99.4	45%	0.449	54%	0.542	S	S	.	.			trans	-103.1	81	-173.7	-78.2	160	176.9	-138.6	20.6	112.8	F435 Y439 G447 F448	F435-R437 PolarHBondContact O-N 3.05Å; R437-Y439 PolarHBondContact O-N 3.25Å; R437-Y439 VanDerWaalsContact O-N 3.16Å; R437-G447 VanDerWaalsContact CD-O 3.24Å; R437-G447 WeakPolarHBondContact CD-O 3.01Å; R437-G447 PolarHBondContact NH1-O 3.33Å; R437-F448 CarbonylContact C-O 3.6Å; R437-F448 VanDerWaalsContact C-O 3.29Å; R437-F448 WeakPolarHBondContact CA-O 3.44Å
438	K	62.8	Low	54.9	Low	149 Å²	149	93.4 Å²	93.4	65%	0.648	51%	0.51	S	S	*	.			trans	-60.3	-19.9	-178.2	-70.8	-160.6	174.8	-163.6	0	115.2	F448	K438-F448 PolarHBondContact N-O 3.09Å
439	Y	69.9	Low	56.6	Low	94 Å²	94	93 Å²	93	37%	0.369	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	101	-172.3	-59	-74.4	0	0	0	111.9	R437 G447 F448 T450 V451	R437-Y439 PolarHBondContact O-N 3.25Å; R437-Y439 VanDerWaalsContact O-N 3.16Å; Y439-G447 CarbonylContact O-C 3.57Å; Y439-F448 PolarHBondContact N-O 3.1Å; Y439-F448 PolarHBondContact O-N 2.94Å; Y439-T450 VanDerWaalsContact CD2-C 3.4Å; Y439-V451 HydrophobicContact CD1-CG2 3.89Å; Y439-V451 HydrophobicContact CD2-CG2 4.34Å; Y439-V451 HydrophobicContact CE1-CG2 3.44Å; Y439-V451 VanDerWaalsContact CE1-CG2 3.44Å; Y439-V451 HydrophobicContact CE2-CG2 3.92Å; Y439-V451 HydrophobicContact CG-CG2 4.31Å; Y439-V451 VanDerWaalsContact CZ-CG2 3.45Å
440	L	73.1	Confident	58.5	Low	107 Å²	107	86.9 Å²	86.9	56%	0.56	49%	0.485	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.6	147.2	-179.2	-56.2	-175.8	0	0	0	112.3	L454	L440-L454 WeakPolarHBondContact O-CD2 3.43Å
441	C	75.6	Confident	60.5	Low	14 Å²	14	81.2 Å²	81.2	10%	0.095	47%	0.466	C	S	.	.			trans	-79.6	131.8	167.7	-170.2	0	0	0	0	110.9	L443 C444 A446 F448 L454 H457 H462	C441-L443 PolarHBondContact O-N 3.21Å; C441-L443 PolarHBondContact SG-N 3.4Å; C441-L443 VanDerWaalsContact SG-N 3.42Å; C441-C444 WeakPolarHBondContact CB-O 3.44Å; C441-A446 WeakPolarHBondContact CB-O 3.43Å; C441-A446 PolarHBondContact N-O 3.08Å; C441-F448 HydrophobicContact CB-CE2 4.42Å; C441-L454 HydrophobicContact CB-CD1 3.85Å; C441-H457 VanDerWaalsContact CB-NE2 3.35Å; C441-H457 WeakPolarHBondContact CB-NE2 3.33Å; C441-H457 PolarHBondContact SG-CD2 3.04Å; C441-H457 PolarHBondContact SG-NE2 2.88Å; C441-H462 VanDerWaalsContact SG-CD2 3.51Å
442	N	70.7	Confident	62.6	Low	115 Å²	115	83.5 Å²	83.5	62%	0.615	46%	0.459	S	S	*	.	S	Bend	trans	-83.7	7.2	175.6	57	-14.6	0	0	0	113.8	R458	N442-R458 PolarHBondContact ND2-NH2 2.85Å; N442-R458 VanDerWaalsContact OD1-CZ 3.28Å; N442-R458 PolarHBondContact OD1-NE 2.81Å; N442-R458 PolarHBondContact OD1-NH2 2.82Å; N442-R458 VanDerWaalsContact OD1-NH2 3.15Å
443	L	73.8	Confident	64.8	Low	94 Å²	94	81.1 Å²	81.1	49%	0.492	44%	0.444	S	S	.	.	S	Bend	trans	-128.2	-7.9	-178.3	-61	172.8	0	0	0	113.7	C441 H462 V464	C441-L443 PolarHBondContact O-N 3.21Å; C441-L443 PolarHBondContact SG-N 3.4Å; C441-L443 VanDerWaalsContact SG-N 3.42Å; L443-H462 VanDerWaalsContact C-CE1 3.44Å; L443-H462 HydrophobicContact CB-CB 4.41Å; L443-H462 WeakPolarHBondContact CB-ND1 3.45Å; L443-H462 HydrophobicContact CD1-CB 3.65Å; L443-H462 PolarHBondContact O-CE1 3.38Å; L443-V464 HydrophobicContact CD1-CG2 4.31Å
444	C	74.4	Confident	67	Low	43 Å²	43	76.5 Å²	76.5	29%	0.291	42%	0.415	S	S	.	.	S	Bend	trans	-160.5	165.6	166	78.6	0	0	0	0	110.4	C441 A446 H457 H462	C441-C444 WeakPolarHBondContact CB-O 3.44Å; C444-A446 PolarHBondContact O-N 3.18Å; C444-H457 PolarHBondContact SG-CE1 3.23Å; C444-H457 PolarHBondContact SG-NE2 3.22Å; C444-H462 PolarHBondContact SG-NE2 2.93Å
445	P	74	Confident	68.9	Low	116 Å²	116	80.8 Å²	80.8	75%	0.753	43%	0.425	S	S	*	.	S	Bend	trans	-75.5	32.2	-173.8	33.1	-37.6	0	0	0	114.8
446	A	73	Confident	71	Confident	24 Å²	24	74.7 Å²	74.7	20%	0.198	41%	0.405	C	S	.	.			trans	-94.5	118.5	178.6	0	0	0	0	0	111.5	C441 C444 F448	C441-A446 WeakPolarHBondContact CB-O 3.43Å; C441-A446 PolarHBondContact N-O 3.08Å; C444-A446 PolarHBondContact O-N 3.18Å; A446-F448 HydrophobicContact CB-CE2 3.63Å; A446-F448 HydrophobicContact CB-CZ 3.71Å; A446-F448 VanDerWaalsContact O-CE2 3.25Å; A446-F448 WeakPolarHBondContact O-CE2 3.38Å
447	G	70.8	Confident	72.4	Confident	2 Å²	2	72.8 Å²	72.8	2%	0.021	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	153.1	169.1	0	0	0	0	0	113.3	R437 Y439	R437-G447 VanDerWaalsContact CD-O 3.24Å; R437-G447 WeakPolarHBondContact CD-O 3.01Å; R437-G447 PolarHBondContact NH1-O 3.33Å; Y439-G447 CarbonylContact O-C 3.57Å
448	F	76.2	Confident	73.6	Confident	33 Å²	33	71.7 Å²	71.7	15%	0.145	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	148.2	-177.6	-63.2	-82.2	0	0	0	112.4	R437 K438 Y439 C441 A446 A453 L454 H457	R437-F448 CarbonylContact C-O 3.6Å; R437-F448 VanDerWaalsContact C-O 3.29Å; R437-F448 WeakPolarHBondContact CA-O 3.44Å; K438-F448 PolarHBondContact N-O 3.09Å; Y439-F448 PolarHBondContact N-O 3.1Å; Y439-F448 PolarHBondContact O-N 2.94Å; C441-F448 HydrophobicContact CB-CE2 4.42Å; A446-F448 HydrophobicContact CB-CE2 3.63Å; A446-F448 HydrophobicContact CB-CZ 3.71Å; A446-F448 VanDerWaalsContact O-CE2 3.25Å; A446-F448 WeakPolarHBondContact O-CE2 3.38Å; F448-A453 HydrophobicContact CB-CB 4.03Å; F448-A453 HydrophobicContact CD1-CB 3.9Å; F448-A453 HydrophobicContact CG-CB 4.29Å; F448-L454 HydrophobicContact CB-CB 4.1Å; F448-L454 HydrophobicContact CD2-CB 4.04Å; F448-L454 HydrophobicContact CD2-CD1 3.85Å; F448-L454 HydrophobicContact CE2-CD1 4.28Å; F448-L454 HydrophobicContact CG-CB 4.23Å; F448-H457 HydrophobicContact CD2-CB 4.42Å; F448-H457 HydrophobicContact CE1-CB 3.8Å; F448-H457 HydrophobicContact CE2-CB 3.69Å; F448-H457 AromaticContact CE2-CD2 3.29Å; F448-H457 WeakPolarHBondContact CE2-CD2 3.18Å; F448-H457 AromaticContact CE2-CG 3.38Å; F448-H457 AromaticContact CE2-ND1 3.95Å; F448-H457 AromaticContact CE2-NE2 3.82Å; F448-H457 HydrophobicContact CZ-CB 3.35Å; F448-H457 AromaticContact CZ-CD2 3.59Å; F448-H457 AromaticContact CZ-CE1 3.93Å; F448-H457 AromaticContact CZ-CG 3.16Å; F448-H457 AromaticContact CZ-ND1 3.42Å; F448-H457 WeakPolarHBondContact CZ-ND1 3.34Å
449	P	70.1	Confident	73.9	Confident	81 Å²	81	67.4 Å²	67.4	53%	0.526	36%	0.36	S	S	.	.	S	Bend	trans	-78.9	-18.1	179.6	32.2	-35.6	0	0	0	113.3
450	T	76.2	Confident	73.9	Confident	72 Å²	72	67.1 Å²	67.1	44%	0.442	37%	0.368	S	S	.	.	S	Bend	trans	-138.6	152.1	-179.2	67.1	0	0	0	0	112	Y439 Q452 A453 L454	Y439-T450 VanDerWaalsContact CD2-C 3.4Å; T450-Q452 PolarHBondContact O-N 2.74Å; T450-A453 PolarHBondContact O-N 3.44Å; T450-A453 VanDerWaalsContact O-N 3.16Å; T450-A453 WeakPolarHBondContact OG1-CB 3.23Å; T450-A453 PolarHBondContact OG1-N 3.49Å; T450-L454 PolarHBondContact O-N 2.66Å; T450-L454 VanDerWaalsContact O-N 3.09Å
451	V	74.7	Confident	73.6	Confident	76 Å²	76	65.7 Å²	65.7	46%	0.461	36%	0.363	S	S	.	.	H	α-helix	trans	-54.1	-41.4	174.3	-176.8	0	0	0	0	111.2	Y439 A453 L454 R455	Y439-V451 HydrophobicContact CD1-CG2 3.89Å; Y439-V451 HydrophobicContact CD2-CG2 4.34Å; Y439-V451 HydrophobicContact CE1-CG2 3.44Å; Y439-V451 VanDerWaalsContact CE1-CG2 3.44Å; Y439-V451 HydrophobicContact CE2-CG2 3.92Å; Y439-V451 HydrophobicContact CG-CG2 4.31Å; Y439-V451 VanDerWaalsContact CZ-CG2 3.45Å; V451-A453 PolarHBondContact O-N 3.03Å; V451-L454 PolarHBondContact O-N 3.36Å; V451-R455 WeakPolarHBondContact O-CB 3.04Å; V451-R455 PolarHBondContact O-N 3.3Å
452	Q	74.6	Confident	73.3	Confident	114 Å²	114	67.3 Å²	67.3	53%	0.533	37%	0.37	S	S	.	.	H	α-helix	trans	-69.7	-32.4	-177.9	-169.8	65.4	-3.9	0	0	112.7	T450 S456	T450-Q452 PolarHBondContact O-N 2.74Å; Q452-S456 VanDerWaalsContact O-CB 3.31Å; Q452-S456 WeakPolarHBondContact O-CB 3.39Å; Q452-S456 PolarHBondContact O-N 3.24Å; Q452-S456 PolarHBondContact O-OG 2.96Å
453	A	74.8	Confident	73	Confident	29 Å²	29	67.3 Å²	67.3	24%	0.24	37%	0.37	C	S	.	.	H	α-helix	trans	-69.1	-41.1	171.4	0	0	0	0	0	111.6	F448 T450 V451 S456 H457	F448-A453 HydrophobicContact CB-CB 4.03Å; F448-A453 HydrophobicContact CD1-CB 3.9Å; F448-A453 HydrophobicContact CG-CB 4.29Å; T450-A453 PolarHBondContact O-N 3.44Å; T450-A453 VanDerWaalsContact O-N 3.16Å; T450-A453 WeakPolarHBondContact OG1-CB 3.23Å; T450-A453 PolarHBondContact OG1-N 3.49Å; V451-A453 PolarHBondContact O-N 3.03Å; A453-S456 PolarHBondContact O-N 3.27Å; A453-H457 WeakPolarHBondContact O-CB 3.12Å; A453-H457 PolarHBondContact O-N 3.27Å
454	L	77.7	Confident	72.1	Confident	27 Å²	27	67.3 Å²	67.3	14%	0.141	37%	0.373	C	S	.	.	H	α-helix	trans	-61.8	-45.6	172	172.5	60.7	0	0	0	112.1	L440 C441 F448 T450 V451 S456 H457 R458	L440-L454 WeakPolarHBondContact O-CD2 3.43Å; C441-L454 HydrophobicContact CB-CD1 3.85Å; F448-L454 HydrophobicContact CB-CB 4.1Å; F448-L454 HydrophobicContact CD2-CB 4.04Å; F448-L454 HydrophobicContact CD2-CD1 3.85Å; F448-L454 HydrophobicContact CE2-CD1 4.28Å; F448-L454 HydrophobicContact CG-CB 4.23Å; T450-L454 PolarHBondContact O-N 2.66Å; T450-L454 VanDerWaalsContact O-N 3.09Å; V451-L454 PolarHBondContact O-N 3.36Å; L454-S456 PolarHBondContact O-N 2.79Å; L454-H457 WeakPolarHBondContact O-CB 3.48Å; L454-H457 PolarHBondContact O-N 2.62Å; L454-R458 HydrophobicContact CD1-CG 3.98Å; L454-R458 WeakPolarHBondContact O-CG 3.31Å; L454-R458 PolarHBondContact O-N 3.32Å
455	R	74.7	Confident	71.3	Confident	147 Å²	147	69.6 Å²	69.6	56%	0.555	39%	0.386	S	S	*	.	H	α-helix	trans	-59.6	-47	176.4	179.3	-179.9	-87.8	162.8	-11.7	110.8	V451 H457 R458 M459	V451-R455 WeakPolarHBondContact O-CB 3.04Å; V451-R455 PolarHBondContact O-N 3.3Å; R455-H457 VanDerWaalsContact C-N 3.31Å; R455-H457 PolarHBondContact O-N 2.85Å; R455-R458 PolarHBondContact O-N 3.44Å; R455-M459 HydrophobicContact CG-SD 4.09Å; R455-M459 WeakPolarHBondContact O-CG 3.44Å; R455-M459 PolarHBondContact O-N 3.29Å
456	S	75.6	Confident	70.5	Confident	55 Å²	55	65.6 Å²	65.6	39%	0.385	36%	0.359	S	S	.	.	H	α-helix	trans	-59.8	-41.1	176.9	-58.2	0	0	0	0	111.9	Q452 A453 L454 M459 T460	Q452-S456 VanDerWaalsContact O-CB 3.31Å; Q452-S456 WeakPolarHBondContact O-CB 3.39Å; Q452-S456 PolarHBondContact O-N 3.24Å; Q452-S456 PolarHBondContact O-OG 2.96Å; A453-S456 PolarHBondContact O-N 3.27Å; L454-S456 PolarHBondContact O-N 2.79Å; S456-M459 PolarHBondContact O-N 3.26Å; S456-T460 WeakPolarHBondContact O-CG2 3.35Å; S456-T460 PolarHBondContact O-N 3.09Å; S456-T460 PolarHBondContact O-OG1 2.88Å
457	H	77.9	Confident	70.1	Confident	18 Å²	18	68 Å²	68	8%	0.083	37%	0.373	C	S	.	.	H	α-helix	trans	-64.9	-50.1	174.9	166.1	77.1	0	0	0	112.8	C441 C444 F448 A453 L454 R455 M459 T460 T461 H462	C441-H457 VanDerWaalsContact CB-NE2 3.35Å; C441-H457 WeakPolarHBondContact CB-NE2 3.33Å; C441-H457 PolarHBondContact SG-CD2 3.04Å; C441-H457 PolarHBondContact SG-NE2 2.88Å; C444-H457 PolarHBondContact SG-CE1 3.23Å; C444-H457 PolarHBondContact SG-NE2 3.22Å; F448-H457 HydrophobicContact CD2-CB 4.42Å; F448-H457 HydrophobicContact CE1-CB 3.8Å; F448-H457 HydrophobicContact CE2-CB 3.69Å; F448-H457 AromaticContact CE2-CD2 3.29Å; F448-H457 WeakPolarHBondContact CE2-CD2 3.18Å; F448-H457 AromaticContact CE2-CG 3.38Å; F448-H457 AromaticContact CE2-ND1 3.95Å; F448-H457 AromaticContact CE2-NE2 3.82Å; F448-H457 HydrophobicContact CZ-CB 3.35Å; F448-H457 AromaticContact CZ-CD2 3.59Å; F448-H457 AromaticContact CZ-CE1 3.93Å; F448-H457 AromaticContact CZ-CG 3.16Å; F448-H457 AromaticContact CZ-ND1 3.42Å; F448-H457 WeakPolarHBondContact CZ-ND1 3.34Å; A453-H457 WeakPolarHBondContact O-CB 3.12Å; A453-H457 PolarHBondContact O-N 3.27Å; L454-H457 WeakPolarHBondContact O-CB 3.48Å; L454-H457 PolarHBondContact O-N 2.62Å; R455-H457 VanDerWaalsContact C-N 3.31Å; R455-H457 PolarHBondContact O-N 2.85Å; H457-M459 PolarHBondContact O-N 3.48Å; H457-M459 VanDerWaalsContact O-N 3.16Å; H457-T460 PolarHBondContact O-N 3.16Å; H457-T460 PolarHBondContact O-OG1 2.94Å; H457-T461 PolarHBondContact CE1-OG1 3.46Å; H457-T461 WeakPolarHBondContact ND1-CG2 3.44Å; H457-T461 PolarHBondContact ND1-OG1 3.37Å; H457-T461 VanDerWaalsContact ND1-OG1 3.1Å; H457-T461 PolarHBondContact NE2-OG1 2.88Å; H457-T461 PolarHBondContact O-N 2.83Å; H457-T461 PolarHBondContact O-OG1 2.68Å; H457-H462 AromaticContact CE1-NE2 3.83Å; H457-H462 AromaticContact NE2-CD2 3.64Å; H457-H462 AromaticContact NE2-NE2 3.44Å; H457-H462 PolarHBondContact NE2-NE2 3.47Å
458	R	75.5	Confident	69.9	Low	96 Å²	96	70.5 Å²	70.5	36%	0.362	38%	0.384	S	S	.	.	H	α-helix	trans	-58.3	-31.1	176.9	-67.8	178.3	86.2	-148.5	-0.8	111.9	N442 L454 R455 H462 N463	N442-R458 PolarHBondContact ND2-NH2 2.85Å; N442-R458 VanDerWaalsContact OD1-CZ 3.28Å; N442-R458 PolarHBondContact OD1-NE 2.81Å; N442-R458 PolarHBondContact OD1-NH2 2.82Å; N442-R458 VanDerWaalsContact OD1-NH2 3.15Å; L454-R458 HydrophobicContact CD1-CG 3.98Å; L454-R458 WeakPolarHBondContact O-CG 3.31Å; L454-R458 PolarHBondContact O-N 3.32Å; R455-R458 PolarHBondContact O-N 3.44Å; R458-H462 CarbonylContact O-C 3.17Å; R458-H462 WeakPolarHBondContact O-CB 3.44Å; R458-N463 PolarHBondContact O-N 3.02Å
459	M	68.2	Low	69.7	Low	59 Å²	59	75.3 Å²	75.3	29%	0.291	41%	0.405	S	S	.	.	H	α-helix	trans	-75.4	-33.7	172.9	-72.8	171.6	149.8	0	0	114.4	R455 S456 H457	R455-M459 HydrophobicContact CG-SD 4.09Å; R455-M459 WeakPolarHBondContact O-CG 3.44Å; R455-M459 PolarHBondContact O-N 3.29Å; S456-M459 PolarHBondContact O-N 3.26Å; H457-M459 PolarHBondContact O-N 3.48Å; H457-M459 VanDerWaalsContact O-N 3.16Å
460	T	69.5	Low	69.9	Low	87 Å²	87	71.6 Å²	71.6	53%	0.534	38%	0.381	S	S	.	.	H	α-helix	trans	-97.1	-30.7	-175	56.7	0	0	0	0	115.6	S456 H457	S456-T460 WeakPolarHBondContact O-CG2 3.35Å; S456-T460 PolarHBondContact O-N 3.09Å; S456-T460 PolarHBondContact O-OG1 2.88Å; H457-T460 PolarHBondContact O-N 3.16Å; H457-T460 PolarHBondContact O-OG1 2.94Å
461	T	67.1	Low	69.6	Low	77 Å²	77	73.2 Å²	73.2	47%	0.472	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	-27.7	-179.5	63.8	0	0	0	0	113.3	H457	H457-T461 PolarHBondContact CE1-OG1 3.46Å; H457-T461 WeakPolarHBondContact ND1-CG2 3.44Å; H457-T461 PolarHBondContact ND1-OG1 3.37Å; H457-T461 VanDerWaalsContact ND1-OG1 3.1Å; H457-T461 PolarHBondContact NE2-OG1 2.88Å; H457-T461 PolarHBondContact O-N 2.83Å; H457-T461 PolarHBondContact O-OG1 2.68Å
462	H	70.5	Confident	69.1	Low	48 Å²	48	75.6 Å²	75.6	22%	0.222	40%	0.398	C	S	.	.	S	Bend	trans	-106.6	-2.1	-179	-63.8	-62.3	0	0	0	113.8	C441 L443 C444 H457 R458 V464	C441-H462 VanDerWaalsContact SG-CD2 3.51Å; L443-H462 VanDerWaalsContact C-CE1 3.44Å; L443-H462 HydrophobicContact CB-CB 4.41Å; L443-H462 WeakPolarHBondContact CB-ND1 3.45Å; L443-H462 HydrophobicContact CD1-CB 3.65Å; L443-H462 PolarHBondContact O-CE1 3.38Å; C444-H462 PolarHBondContact SG-NE2 2.93Å; H457-H462 AromaticContact CE1-NE2 3.83Å; H457-H462 AromaticContact NE2-CD2 3.64Å; H457-H462 AromaticContact NE2-NE2 3.44Å; H457-H462 PolarHBondContact NE2-NE2 3.47Å; R458-H462 CarbonylContact O-C 3.17Å; R458-H462 WeakPolarHBondContact O-CB 3.44Å; H462-V464 HydrophobicContact CB-CG2 4.02Å; H462-V464 WeakPolarHBondContact O-CG2 3.45Å; H462-V464 PolarHBondContact O-N 2.86Å
463	N	62.7	Low	69.1	Low	116 Å²	116	72.2 Å²	72.2	62%	0.62	39%	0.387	S	S	*	.			trans	55.6	22.5	162.2	-149	21.8	0	0	0	114.8	R458 V465	R458-N463 PolarHBondContact O-N 3.02Å; N463-V465 PolarHBondContact O-N 3.26Å
464	V	56.8	Low	69	Low	94 Å²	94	75.4 Å²	75.4	57%	0.57	41%	0.407	S	S	*	.	S	Bend	trans	-63.2	-44	-163.5	-176.9	0	0	0	0	111.9	L443 H462	L443-V464 HydrophobicContact CD1-CG2 4.31Å; H462-V464 HydrophobicContact CB-CG2 4.02Å; H462-V464 WeakPolarHBondContact O-CG2 3.45Å; H462-V464 PolarHBondContact O-N 2.86Å
465	V	56	Low	68.8	Low	91 Å²	91	78.6 Å²	78.6	55%	0.552	42%	0.421	S	S	*	.			trans	-147.7	132.3	163.3	-169	0	0	0	0	108.1	N463 P467	N463-V465 PolarHBondContact O-N 3.26Å; V465-P467 HydrophobicContact CG1-CB 4.15Å; V465-P467 WeakPolarHBondContact O-CD 3.35Å
466	T	56.9	Low	68.9	Low	32 Å²	32	74.3 Å²	74.3	20%	0.196	41%	0.414	C	S	.	.			trans	-107.3	86.9	161.6	35.8	0	0	0	0	108.3	H468	T466-H468 PolarHBondContact O-N 3.1Å
467	P	65.5	Low	68.8	Low	73 Å²	73	73.2 Å²	73.2	47%	0.474	40%	0.403	S	S	.	.			trans	-71.8	-13.3	-166.5	26	-32.9	0	0	0	114	V465	V465-P467 HydrophobicContact CG1-CB 4.15Å; V465-P467 WeakPolarHBondContact O-CD 3.35Å
468	H	66.2	Low	68.4	Low	55 Å²	55	73.7 Å²	73.7	26%	0.255	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	104.5	-175.4	-55	-65.8	0	0	0	110.6	T466 F477 L480 M483	T466-H468 PolarHBondContact O-N 3.1Å; H468-F477 HydrophobicContact CB-CB 4.5Å; H468-F477 PolarHBondContact O-N 3.15Å; H468-L480 PolarHBondContact CD2-N 3.11Å; H468-L480 PolarHBondContact NE2-N 3.19Å; H468-M483 HydrophobicContact CB-CB 4Å; H468-M483 HydrophobicContact CB-CE 4.49Å; H468-M483 HydrophobicContact CB-CG 4.41Å; H468-M483 HydrophobicContact CB-SD 3.78Å
469	K	72.3	Confident	68.1	Low	135 Å²	135	71.1 Å²	71.1	59%	0.587	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.9	134.8	175.9	-59.2	-174.5	178.9	174.7	0	110	P471 E475 M483	K469-P471 WeakPolarHBondContact O-CD 3.43Å; K469-E475 CarbonylContact C-O 3.52Å; K469-E475 WeakPolarHBondContact CA-O 3.44Å; K469-M483 VanDerWaalsContact O-SD 3.42Å
470	C	74	Confident	68.4	Low	3 Å²	3	72.3 Å²	72.3	2%	0.02	41%	0.412	C	S	.	.			trans	-65.9	122.6	176.2	176.3	0	0	0	0	110.4	Q472 C473 S474 E475 F477 H486	C470-Q472 PolarHBondContact O-N 3.44Å; C470-Q472 VanDerWaalsContact O-N 3.15Å; C470-Q472 PolarHBondContact SG-N 3.4Å; C470-C473 VanDerWaalsContact CB-SG 3.59Å; C470-S474 VanDerWaalsContact O-CA 3.29Å; C470-S474 WeakPolarHBondContact O-CA 3.39Å; C470-S474 PolarHBondContact O-N 3.19Å; C470-E475 PolarHBondContact N-O 3.49Å; C470-F477 HydrophobicContact CB-CE2 4.01Å; C470-H486 PolarHBondContact SG-NE2 3Å
471	P	71.2	Confident	68.6	Low	106 Å²	106	75.9 Å²	75.9	69%	0.688	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-10.8	-178.4	27.5	-35.7	0	0	0	114.3	K469	K469-P471 WeakPolarHBondContact O-CD 3.43Å
472	Q	64.3	Low	69	Low	125 Å²	125	76.8 Å²	76.8	58%	0.584	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.9	-18.5	-179.2	-68.5	-167.7	5.7	0	0	114.9	C470 H491	C470-Q472 PolarHBondContact O-N 3.44Å; C470-Q472 VanDerWaalsContact O-N 3.15Å; C470-Q472 PolarHBondContact SG-N 3.4Å; Q472-H491 VanDerWaalsContact CB-CE1 3.46Å; Q472-H491 WeakPolarHBondContact CB-CE1 3.41Å; Q472-H491 WeakPolarHBondContact CB-ND1 3.24Å; Q472-H491 PolarHBondContact OE1-ND1 3.31Å
473	C	74.1	Confident	69.3	Low	43 Å²	43	75.7 Å²	75.7	29%	0.291	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.7	-0	178.3	72.1	0	0	0	0	114.8	C470 E475 H486	C470-C473 VanDerWaalsContact CB-SG 3.59Å; C473-E475 PolarHBondContact O-N 2.99Å; C473-H486 VanDerWaalsContact SG-CE1 3.51Å; C473-H486 PolarHBondContact SG-NE2 3.18Å
474	S	71.4	Confident	69.9	Low	96 Å²	96	73.6 Å²	73.6	67%	0.671	40%	0.403	S	S	*	.			trans	59.4	5.7	-177.2	67.7	0	0	0	0	117.4	C470 S476	C470-S474 VanDerWaalsContact O-CA 3.29Å; C470-S474 WeakPolarHBondContact O-CA 3.39Å; C470-S474 PolarHBondContact O-N 3.19Å; S474-S476 PolarHBondContact O-N 3.46Å; S474-S476 PolarHBondContact O-OG 2.97Å
475	E	75.1	Confident	70.8	Confident	94 Å²	94	70 Å²	70	44%	0.439	39%	0.386	S	S	.	.			trans	-55.4	138.3	168.6	-74.8	-179.9	-131.5	0	0	111	K469 C470 C473 F477 H486	K469-E475 CarbonylContact C-O 3.52Å; K469-E475 WeakPolarHBondContact CA-O 3.44Å; C470-E475 PolarHBondContact N-O 3.49Å; C473-E475 PolarHBondContact O-N 2.99Å; E475-F477 HydrophobicContact CB-CE2 3.63Å; E475-F477 HydrophobicContact CB-CZ 3.66Å; E475-F477 WeakPolarHBondContact O-CD2 3.45Å; E475-F477 VanDerWaalsContact O-CE2 3.24Å; E475-F477 WeakPolarHBondContact O-CE2 3.38Å; E475-H486 IonicContact OE1-CE1 2.85Å; E475-H486 PolarHBondContact OE1-CE1 3.48Å; E475-H486 IonicContact OE2-CE1 2.62Å; E475-H486 PolarHBondContact OE2-CE1 3.31Å; E475-H486 IonicContact OE2-ND1 3.31Å
476	S	76.3	Confident	71.7	Confident	58 Å²	58	66.6 Å²	66.6	41%	0.406	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	130.5	-172.3	-57.7	0	0	0	0	110.7	S474	S474-S476 PolarHBondContact O-N 3.46Å; S474-S476 PolarHBondContact O-OG 2.97Å
477	F	72.3	Confident	72.3	Confident	31 Å²	31	65.5 Å²	65.5	14%	0.136	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	145.8	-171.2	-61.2	-85.6	0	0	0	112.1	H468 C470 E475 S479 L482 M483 H486	H468-F477 HydrophobicContact CB-CB 4.5Å; H468-F477 PolarHBondContact O-N 3.15Å; C470-F477 HydrophobicContact CB-CE2 4.01Å; E475-F477 HydrophobicContact CB-CE2 3.63Å; E475-F477 HydrophobicContact CB-CZ 3.66Å; E475-F477 WeakPolarHBondContact O-CD2 3.45Å; E475-F477 VanDerWaalsContact O-CE2 3.24Å; E475-F477 WeakPolarHBondContact O-CE2 3.38Å; F477-S479 VanDerWaalsContact C-N 3.28Å; F477-S479 PolarHBondContact O-N 3.13Å; F477-L482 HydrophobicContact CB-CB 4.32Å; F477-L482 HydrophobicContact CD1-CB 4.06Å; F477-M483 HydrophobicContact CB-CB 3.98Å; F477-M483 HydrophobicContact CD2-CB 3.64Å; F477-M483 HydrophobicContact CD2-CG 3.82Å; F477-M483 HydrophobicContact CE2-CB 4.44Å; F477-M483 HydrophobicContact CE2-CG 4.32Å; F477-M483 HydrophobicContact CG-CB 3.87Å; F477-H486 HydrophobicContact CE1-CB 3.73Å; F477-H486 HydrophobicContact CE2-CB 4.07Å; F477-H486 AromaticContact CE2-CG 3.96Å; F477-H486 HydrophobicContact CZ-CB 3.42Å; F477-H486 VanDerWaalsContact CZ-CB 3.42Å; F477-H486 AromaticContact CZ-CD2 3.99Å; F477-H486 AromaticContact CZ-CG 3.34Å; F477-H486 AromaticContact CZ-ND1 3.5Å
478	S	69.8	Low	72.2	Confident	29 Å²	29	67.7 Å²	67.7	20%	0.203	36%	0.355	C	S	.	.	S	Bend	trans	-77.6	-6.8	176.6	52.9	0	0	0	0	114.3
479	S	69.7	Low	72.2	Confident	42 Å²	42	73.4 Å²	73.4	29%	0.294	38%	0.379	S	S	.	.	S	Bend	trans	-157	153.8	171.2	64.1	0	0	0	0	112.4	F477 K481 L482 M483	F477-S479 VanDerWaalsContact C-N 3.28Å; F477-S479 PolarHBondContact O-N 3.13Å; S479-K481 VanDerWaalsContact C-N 3.28Å; S479-K481 PolarHBondContact O-N 3.02Å; S479-L482 PolarHBondContact O-N 2.86Å; S479-L482 VanDerWaalsContact O-N 3.15Å; S479-L482 WeakPolarHBondContact OG-CG 3.46Å; S479-L482 PolarHBondContact OG-N 2.85Å; S479-M483 PolarHBondContact O-N 2.79Å; S479-M483 VanDerWaalsContact O-N 3.12Å
480	L	74.7	Confident	71.8	Confident	83 Å²	83	72.3 Å²	72.3	44%	0.435	38%	0.38	S	S	.	.	H	α-helix	trans	-53.3	-46.5	175.7	-169.8	82.9	0	0	0	111.1	H468 L482 M483 E484	H468-L480 PolarHBondContact CD2-N 3.11Å; H468-L480 PolarHBondContact NE2-N 3.19Å; L480-L482 PolarHBondContact O-N 2.79Å; L480-M483 HydrophobicContact CD1-CE 3.78Å; L480-M483 CarbonylContact O-C 3.5Å; L480-M483 WeakPolarHBondContact O-CB 3.29Å; L480-M483 PolarHBondContact O-N 3.48Å; L480-E484 HydrophobicContact CG-CG 4.48Å; L480-E484 WeakPolarHBondContact O-CG 3.48Å; L480-E484 PolarHBondContact O-N 3Å
481	K	74.1	Confident	71.4	Confident	163 Å²	163	73.6 Å²	73.6	71%	0.709	39%	0.385	S	S	*	.	H	α-helix	trans	-62.1	-28.2	-178	-162.1	164.8	-172	164.7	0	113.5	S479 G485 R488	S479-K481 VanDerWaalsContact C-N 3.28Å; S479-K481 PolarHBondContact O-N 3.02Å; K481-G485 PolarHBondContact O-N 3.44Å; K481-R488 PolarHBondContact O-NH2 2.77Å
482	L	75	Confident	70.9	Confident	95 Å²	95	71 Å²	71	50%	0.497	37%	0.369	S	S	.	.	H	α-helix	trans	-78	-43	171.2	-72.2	173.3	0	0	0	112.1	F477 S479 L480 E484 G485 H486	F477-L482 HydrophobicContact CB-CB 4.32Å; F477-L482 HydrophobicContact CD1-CB 4.06Å; S479-L482 PolarHBondContact O-N 2.86Å; S479-L482 VanDerWaalsContact O-N 3.15Å; S479-L482 WeakPolarHBondContact OG-CG 3.46Å; S479-L482 PolarHBondContact OG-N 2.85Å; L480-L482 PolarHBondContact O-N 2.79Å; L482-E484 VanDerWaalsContact C-N 3.34Å; L482-E484 PolarHBondContact O-N 3.48Å; L482-G485 CarbonylContact O-C 3.46Å; L482-G485 WeakPolarHBondContact O-CA 3.42Å; L482-G485 PolarHBondContact O-N 3.35Å; L482-H486 PolarHBondContact O-N 3.35Å
483	M	77.5	Confident	70.8	Confident	26 Å²	26	68.1 Å²	68.1	13%	0.128	36%	0.355	C	S	.	.	H	α-helix	trans	-59.9	-43.3	173.4	-177.1	-166.8	69.2	0	0	111.7	H468 K469 F477 S479 L480 G485 H486 L487	H468-M483 HydrophobicContact CB-CB 4Å; H468-M483 HydrophobicContact CB-CE 4.49Å; H468-M483 HydrophobicContact CB-CG 4.41Å; H468-M483 HydrophobicContact CB-SD 3.78Å; K469-M483 VanDerWaalsContact O-SD 3.42Å; F477-M483 HydrophobicContact CB-CB 3.98Å; F477-M483 HydrophobicContact CD2-CB 3.64Å; F477-M483 HydrophobicContact CD2-CG 3.82Å; F477-M483 HydrophobicContact CE2-CB 4.44Å; F477-M483 HydrophobicContact CE2-CG 4.32Å; F477-M483 HydrophobicContact CG-CB 3.87Å; S479-M483 PolarHBondContact O-N 2.79Å; S479-M483 VanDerWaalsContact O-N 3.12Å; L480-M483 HydrophobicContact CD1-CE 3.78Å; L480-M483 CarbonylContact O-C 3.5Å; L480-M483 WeakPolarHBondContact O-CB 3.29Å; L480-M483 PolarHBondContact O-N 3.48Å; M483-G485 VanDerWaalsContact C-N 3.32Å; M483-H486 WeakPolarHBondContact O-CB 3.49Å; M483-H486 PolarHBondContact O-N 3.28Å; M483-L487 HydrophobicContact CE-CD1 4.32Å; M483-L487 HydrophobicContact CG-CD1 4.28Å; M483-L487 WeakPolarHBondContact O-CG 3.25Å; M483-L487 PolarHBondContact O-N 3.06Å
484	E	75.1	Confident	70.4	Confident	71 Å²	71	69.4 Å²	69.4	33%	0.332	36%	0.361	S	S	.	.	H	α-helix	trans	-63.6	-38.2	171.2	-69.1	-178.7	172	0	0	112.3	L480 L482 H486 L487 R488	L480-E484 HydrophobicContact CG-CG 4.48Å; L480-E484 WeakPolarHBondContact O-CG 3.48Å; L480-E484 PolarHBondContact O-N 3Å; L482-E484 VanDerWaalsContact C-N 3.34Å; L482-E484 PolarHBondContact O-N 3.48Å; E484-H486 VanDerWaalsContact C-N 3.27Å; E484-H486 PolarHBondContact O-N 3.16Å; E484-L487 PolarHBondContact O-N 2.71Å; E484-R488 WeakPolarHBondContact O-CB 3.03Å; E484-R488 VanDerWaalsContact O-CG 3.31Å; E484-R488 WeakPolarHBondContact O-CG 3.4Å; E484-R488 PolarHBondContact O-N 3.5Å; E484-R488 PolarHBondContact O-NE 2.73Å; E484-R488 IonicContact OE2-CZ 3.33Å; E484-R488 VanDerWaalsContact OE2-CZ 3.31Å; E484-R488 IonicContact OE2-NH1 3.04Å; E484-R488 PolarHBondContact OE2-NH1 3.13Å; E484-R488 IonicContact OE2-NH2 2.68Å; E484-R488 PolarHBondContact OE2-NH2 3.09Å
485	G	74.4	Confident	70.3	Confident	20 Å²	20	64.8 Å²	64.8	21%	0.206	33%	0.329	C	S	.	.	H	α-helix	trans	-62.8	-35.8	176.5	0	0	0	0	0	112.2	K481 L482 M483 K489	K481-G485 PolarHBondContact O-N 3.44Å; L482-G485 CarbonylContact O-C 3.46Å; L482-G485 WeakPolarHBondContact O-CA 3.42Å; L482-G485 PolarHBondContact O-N 3.35Å; M483-G485 VanDerWaalsContact C-N 3.32Å; G485-K489 WeakPolarHBondContact O-CB 3.37Å; G485-K489 VanDerWaalsContact O-CG 3.26Å; G485-K489 WeakPolarHBondContact O-CG 3.49Å; G485-K489 PolarHBondContact O-N 2.99Å
486	H	76.9	Confident	69.8	Low	18 Å²	18	65.1 Å²	65.1	8%	0.083	34%	0.34	C	S	.	.	H	α-helix	trans	-66	-53.3	169.1	173.5	89.3	0	0	0	111.7	C470 C473 E475 F477 L482 M483 E484 R488 K489 L490 H491	C470-H486 PolarHBondContact SG-NE2 3Å; C473-H486 VanDerWaalsContact SG-CE1 3.51Å; C473-H486 PolarHBondContact SG-NE2 3.18Å; E475-H486 IonicContact OE1-CE1 2.85Å; E475-H486 PolarHBondContact OE1-CE1 3.48Å; E475-H486 IonicContact OE2-CE1 2.62Å; E475-H486 PolarHBondContact OE2-CE1 3.31Å; E475-H486 IonicContact OE2-ND1 3.31Å; F477-H486 HydrophobicContact CE1-CB 3.73Å; F477-H486 HydrophobicContact CE2-CB 4.07Å; F477-H486 AromaticContact CE2-CG 3.96Å; F477-H486 HydrophobicContact CZ-CB 3.42Å; F477-H486 VanDerWaalsContact CZ-CB 3.42Å; F477-H486 AromaticContact CZ-CD2 3.99Å; F477-H486 AromaticContact CZ-CG 3.34Å; F477-H486 AromaticContact CZ-ND1 3.5Å; L482-H486 PolarHBondContact O-N 3.35Å; M483-H486 WeakPolarHBondContact O-CB 3.49Å; M483-H486 PolarHBondContact O-N 3.28Å; E484-H486 VanDerWaalsContact C-N 3.27Å; E484-H486 PolarHBondContact O-N 3.16Å; H486-R488 VanDerWaalsContact C-N 3.31Å; H486-R488 PolarHBondContact O-N 3.22Å; H486-K489 PolarHBondContact O-N 3.32Å; H486-L490 WeakPolarHBondContact CE1-CD1 3.34Å; H486-L490 PolarHBondContact O-N 2.74Å; H486-H491 AromaticContact CD2-CD2 3.57Å; H486-H491 AromaticContact CD2-NE2 3.78Å; H486-H491 AromaticContact NE2-CD2 2.74Å; H486-H491 PolarHBondContact NE2-CD2 3.41Å; H486-H491 AromaticContact NE2-CE1 3.42Å; H486-H491 PolarHBondContact NE2-CE1 3.42Å; H486-H491 AromaticContact NE2-NE2 2.15Å; H486-H491 PolarHBondContact NE2-NE2 3.29Å
487	L	68.6	Low	69.6	Low	10 Å²	10	66.1 Å²	66.1	5%	0.052	34%	0.339	C	S	.	.	H	α-helix	trans	-55.6	-44.4	177.9	-72.6	166.9	0	0	0	111.8	M483 E484 K489 H491	M483-L487 HydrophobicContact CE-CD1 4.32Å; M483-L487 HydrophobicContact CG-CD1 4.28Å; M483-L487 WeakPolarHBondContact O-CG 3.25Å; M483-L487 PolarHBondContact O-N 3.06Å; E484-L487 PolarHBondContact O-N 2.71Å; L487-K489 VanDerWaalsContact C-N 3.26Å; L487-K489 PolarHBondContact O-N 2.85Å; L487-H491 HydrophobicContact CD2-CB 3.97Å; L487-H491 CarbonylContact O-C 3.08Å; L487-H491 WeakPolarHBondContact O-CA 3.36Å; L487-H491 PolarHBondContact O-N 2.9Å; L487-H491 VanDerWaalsContact O-O 3.1Å
488	R	64.2	Low	69.9	Low	118 Å²	118	67.4 Å²	67.4	45%	0.445	35%	0.351	S	S	.	.	H	α-helix	trans	-62.2	-26.1	175.4	-76.9	-178.4	-73.6	-105.9	-2.7	114	K481 E484 H486	K481-R488 PolarHBondContact O-NH2 2.77Å; E484-R488 WeakPolarHBondContact O-CB 3.03Å; E484-R488 VanDerWaalsContact O-CG 3.31Å; E484-R488 WeakPolarHBondContact O-CG 3.4Å; E484-R488 PolarHBondContact O-N 3.5Å; E484-R488 PolarHBondContact O-NE 2.73Å; E484-R488 IonicContact OE2-CZ 3.33Å; E484-R488 VanDerWaalsContact OE2-CZ 3.31Å; E484-R488 IonicContact OE2-NH1 3.04Å; E484-R488 PolarHBondContact OE2-NH1 3.13Å; E484-R488 IonicContact OE2-NH2 2.68Å; E484-R488 PolarHBondContact OE2-NH2 3.09Å; H486-R488 VanDerWaalsContact C-N 3.31Å; H486-R488 PolarHBondContact O-N 3.22Å
489	K	64.9	Low	70	Confident	175 Å²	175	70.3 Å²	70.3	76%	0.761	37%	0.372	S	S	*	.	H	α-helix	trans	-99.1	-32.7	-175.6	-75.5	178.3	179.1	-176.2	0	114.4	G485 H486 L487	G485-K489 WeakPolarHBondContact O-CB 3.37Å; G485-K489 VanDerWaalsContact O-CG 3.26Å; G485-K489 WeakPolarHBondContact O-CG 3.49Å; G485-K489 PolarHBondContact O-N 2.99Å; H486-K489 PolarHBondContact O-N 3.32Å; L487-K489 VanDerWaalsContact C-N 3.26Å; L487-K489 PolarHBondContact O-N 2.85Å
490	L	64.9	Low	70.1	Confident	113 Å²	113	74.2 Å²	74.2	59%	0.592	38%	0.384	S	S	*	.	H	α-helix	trans	-121.2	-11.9	-170.9	-68.2	173.1	0	0	0	113.6	H486	H486-L490 WeakPolarHBondContact CE1-CD1 3.34Å; H486-L490 PolarHBondContact O-N 2.74Å
491	H	65.7	Low	69.8	Low	29 Å²	29	76.6 Å²	76.6	13%	0.134	39%	0.393	C	S	.	.			trans	-133.1	63.8	-179.9	-56.8	-79.5	0	0	0	112.5	Q472 H486 L487	Q472-H491 VanDerWaalsContact CB-CE1 3.46Å; Q472-H491 WeakPolarHBondContact CB-CE1 3.41Å; Q472-H491 WeakPolarHBondContact CB-ND1 3.24Å; Q472-H491 PolarHBondContact OE1-ND1 3.31Å; H486-H491 AromaticContact CD2-CD2 3.57Å; H486-H491 AromaticContact CD2-NE2 3.78Å; H486-H491 AromaticContact NE2-CD2 2.74Å; H486-H491 PolarHBondContact NE2-CD2 3.41Å; H486-H491 AromaticContact NE2-CE1 3.42Å; H486-H491 PolarHBondContact NE2-CE1 3.42Å; H486-H491 AromaticContact NE2-NE2 2.15Å; H486-H491 PolarHBondContact NE2-NE2 3.29Å; L487-H491 HydrophobicContact CD2-CB 3.97Å; L487-H491 CarbonylContact O-C 3.08Å; L487-H491 WeakPolarHBondContact O-CA 3.36Å; L487-H491 PolarHBondContact O-N 2.9Å; L487-H491 VanDerWaalsContact O-O 3.1Å
492	P	60.5	Low	69.4	Low	53 Å²	53	69.6 Å²	69.6	34%	0.344	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-56.8	141.2	173.1	-20.4	32.6	0	0	0	111.4	Q501	P492-Q501 HydrophobicContact CB-CB 4.39Å; P492-Q501 HydrophobicContact CB-CG 4.5Å
493	Q	62.1	Low	68.5	Low	64 Å²	64	70.8 Å²	70.8	30%	0.299	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	136.7	177.3	-69	-74	34.9	0	0	110.5	Q501 M502 R505 V510	Q493-Q501 WeakPolarHBondContact O-CA 3.37Å; Q493-M502 PolarHBondContact O-N 2.88Å; Q493-R505 HydrophobicContact CG-CG 3.79Å; Q493-V510 HydrophobicContact CB-CG2 4.26Å
494	V	64.9	Low	67.6	Low	69 Å²	69	73 Å²	73	42%	0.418	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	131.6	-178.5	174.3	0	0	0	0	108.5	Q501	V494-Q501 HydrophobicContact CG2-CG 4.05Å
495	C	69.5	Low	66.6	Low	0 Å²	0	76 Å²	76	0%	0	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-60.1	126.3	171	177.6	0	0	0	0	109.9	I497 S499 K500 H513	C495-I497 PolarHBondContact O-N 3.37Å; C495-I497 VanDerWaalsContact O-N 3.12Å; C495-I497 PolarHBondContact SG-N 2.82Å; C495-S499 VanDerWaalsContact O-CA 3.23Å; C495-S499 WeakPolarHBondContact O-CA 3.25Å; C495-S499 PolarHBondContact O-N 3.24Å; C495-K500 HydrophobicContact CB-CB 4.43Å; C495-K500 PolarHBondContact N-O 3.06Å; C495-H513 WeakPolarHBondContact CB-NE2 3.41Å; C495-H513 VanDerWaalsContact SG-CD2 3.56Å; C495-H513 PolarHBondContact SG-NE2 3.25Å; C495-H513 VanDerWaalsContact SG-NE2 3.4Å
496	P	65.2	Low	66.2	Low	101 Å²	101	80.8 Å²	80.8	66%	0.656	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-12.1	-178.3	26.6	-34.3	0	0	0	114.2	I514	P496-I514 HydrophobicContact CG-CD1 4.19Å
497	I	72.2	Confident	65.6	Low	78 Å²	78	87.6 Å²	87.6	40%	0.4	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-58.6	-176	-51.4	169.5	0	0	0	111	C495 I514 H518 A521	C495-I497 PolarHBondContact O-N 3.37Å; C495-I497 VanDerWaalsContact O-N 3.12Å; C495-I497 PolarHBondContact SG-N 2.82Å; I497-I514 HydrophobicContact CD1-CG1 4.27Å; I497-I514 HydrophobicContact CD1-CG2 4.08Å; I497-H518 HydrophobicContact CD1-CB 3.62Å; I497-H518 WeakPolarHBondContact CG2-ND1 3.48Å; I497-A521 HydrophobicContact CD1-CB 3.54Å
498	C	77.8	Confident	65.9	Low	58 Å²	58	94 Å²	94	39%	0.392	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99	5.7	-179.7	65.5	0	0	0	0	115.7	K500 H513 H518	C498-K500 PolarHBondContact O-N 3.38Å; C498-K500 VanDerWaalsContact SG-CB 3.53Å; C498-H513 PolarHBondContact SG-NE2 2.71Å; C498-H518 VanDerWaalsContact CB-NE2 3.33Å; C498-H518 WeakPolarHBondContact CB-NE2 3.46Å; C498-H518 PolarHBondContact SG-NE2 3.16Å
499	S	72.7	Confident	66.4	Low	90 Å²	90	90.3 Å²	90.3	63%	0.629	45%	0.447	S	S	*	.			trans	57.5	14.4	-176.7	-59.6	0	0	0	0	116.1	C495 Q501	C495-S499 VanDerWaalsContact O-CA 3.23Å; C495-S499 WeakPolarHBondContact O-CA 3.25Å; C495-S499 PolarHBondContact O-N 3.24Å; S499-Q501 PolarHBondContact O-N 3.35Å
500	K	70.8	Confident	66.7	Low	125 Å²	125	83.1 Å²	83.1	54%	0.543	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-69.8	124.6	178.4	-170.5	176.3	177.3	-178	0	110.8	C495 C498 M502	C495-K500 HydrophobicContact CB-CB 4.43Å; C495-K500 PolarHBondContact N-O 3.06Å; C498-K500 PolarHBondContact O-N 3.38Å; C498-K500 VanDerWaalsContact SG-CB 3.53Å; K500-M502 HydrophobicContact CB-CE 3.91Å; K500-M502 HydrophobicContact CD-CE 3.82Å; K500-M502 HydrophobicContact CG-CE 3.74Å
501	Q	68.1	Low	67	Low	133 Å²	133	81.9 Å²	81.9	62%	0.621	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.8	133.7	172.8	-71.9	179.1	2.3	0	0	110.8	P492 Q493 V494 S499	P492-Q501 HydrophobicContact CB-CB 4.39Å; P492-Q501 HydrophobicContact CB-CG 4.5Å; Q493-Q501 WeakPolarHBondContact O-CA 3.37Å; V494-Q501 HydrophobicContact CG2-CG 4.05Å; S499-Q501 PolarHBondContact O-N 3.35Å
502	M	66.4	Low	67.6	Low	16 Å²	16	81.2 Å²	81.2	8%	0.079	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	137.4	172.8	-62.7	-59.1	142	0	0	110.6	Q493 K500 E504 V510 H513	Q493-M502 PolarHBondContact O-N 2.88Å; K500-M502 HydrophobicContact CB-CE 3.91Å; K500-M502 HydrophobicContact CD-CE 3.82Å; K500-M502 HydrophobicContact CG-CE 3.74Å; M502-E504 PolarHBondContact O-N 3.19Å; M502-V510 HydrophobicContact CG-CG2 4.46Å; M502-H513 HydrophobicContact CE-CB 4.09Å; M502-H513 WeakPolarHBondContact CE-CD2 3.32Å; M502-H513 VanDerWaalsContact CE-CG 3.44Å; M502-H513 HydrophobicContact SD-CB 4.43Å
503	P	56.5	Low	68.6	Low	120 Å²	120	79.6 Å²	79.6	78%	0.779	40%	0.397	S	S	*	.	S	Bend	trans	-72.6	-12.9	-177.6	30.7	-36.3	0	0	0	113.5
504	E	58.5	Low	69.3	Low	72 Å²	72	78.2 Å²	78.2	34%	0.336	39%	0.391	S	S	.	.	S	Bend	trans	-135.9	136.8	-175.9	-139.8	-170.9	157.4	0	0	113.1	M502 R506 M509	M502-E504 PolarHBondContact O-N 3.19Å; E504-R506 HydrophobicContact CG-CG 4.42Å; E504-R506 PolarHBondContact O-N 3.08Å; E504-R506 IonicContact OE1-CZ 3.64Å; E504-R506 IonicContact OE1-NE 2.74Å; E504-R506 PolarHBondContact OE1-NE 3.5Å; E504-R506 IonicContact OE1-NH2 3.19Å; E504-R506 PolarHBondContact OE1-NH2 2.9Å; E504-R506 IonicContact OE2-CZ 2.65Å; E504-R506 IonicContact OE2-NE 3.39Å; E504-R506 PolarHBondContact OE2-NE 2.65Å; E504-R506 IonicContact OE2-NH2 3.6Å; E504-R506 PolarHBondContact OE2-NH2 3.33Å; E504-M509 HydrophobicContact CB-CE 3.88Å; E504-M509 HydrophobicContact CB-SD 3.94Å
505	R	55.1	Low	70	Confident	135 Å²	135	82.9 Å²	82.9	51%	0.509	40%	0.401	S	S	.	.			trans	-82.9	43.1	-174.1	-161.4	179.4	-174	-90.2	1.2	113.1	Q493	Q493-R505 HydrophobicContact CG-CG 3.79Å
506	R	64.1	Low	70.4	Confident	119 Å²	119	89.9 Å²	89.9	45%	0.449	43%	0.434	S	S	.	.			trans	-94	125.1	175.6	-56.3	-166.9	-167.3	-169	10.4	109.8	E504 W508 M509 V510	E504-R506 HydrophobicContact CG-CG 4.42Å; E504-R506 PolarHBondContact O-N 3.08Å; E504-R506 IonicContact OE1-CZ 3.64Å; E504-R506 IonicContact OE1-NE 2.74Å; E504-R506 PolarHBondContact OE1-NE 3.5Å; E504-R506 IonicContact OE1-NH2 3.19Å; E504-R506 PolarHBondContact OE1-NH2 2.9Å; E504-R506 IonicContact OE2-CZ 2.65Å; E504-R506 IonicContact OE2-NE 3.39Å; E504-R506 PolarHBondContact OE2-NE 2.65Å; E504-R506 IonicContact OE2-NH2 3.6Å; E504-R506 PolarHBondContact OE2-NH2 3.33Å; R506-W508 VanDerWaalsContact C-N 3.28Å; R506-W508 HydrophobicContact CB-CG 4.42Å; R506-W508 VanDerWaalsContact CD-NE1 3.28Å; R506-W508 PolarHBondContact O-N 2.83Å; R506-M509 HydrophobicContact CB-CB 4.12Å; R506-M509 WeakPolarHBondContact O-CB 3.46Å; R506-M509 PolarHBondContact O-N 3.49Å; R506-V510 PolarHBondContact O-N 3.14Å
507	K	65.2	Low	71	Confident	161 Å²	161	87.3 Å²	87.3	70%	0.7	42%	0.421	S	S	*	.	H	α-helix	trans	-52.9	-47.7	179.2	-167.9	-170.6	-176.9	-113.7	0	111.1	M509 V510 E511	K507-M509 PolarHBondContact O-N 2.98Å; K507-M509 VanDerWaalsContact O-N 3.16Å; K507-V510 PolarHBondContact O-N 3.08Å; K507-V510 VanDerWaalsContact O-N 3.08Å; K507-E511 VanDerWaalsContact CE-OE1 3.28Å; K507-E511 WeakPolarHBondContact CE-OE1 3.35Å; K507-E511 HydrophobicContact CG-CG 4.45Å; K507-E511 IonicContact NZ-OE1 2.95Å; K507-E511 PolarHBondContact NZ-OE1 3.13Å; K507-E511 WeakPolarHBondContact O-CG 3.43Å; K507-E511 PolarHBondContact O-N 2.94Å
508	W	75.8	Confident	71.5	Confident	145 Å²	145	84.6 Å²	84.6	55%	0.549	41%	0.406	S	S	.	.	H	α-helix	trans	-60.2	-25.8	177.8	75.8	-105.5	0	0	0	114	R506 E511 A512	R506-W508 VanDerWaalsContact C-N 3.28Å; R506-W508 HydrophobicContact CB-CG 4.42Å; R506-W508 VanDerWaalsContact CD-NE1 3.28Å; R506-W508 PolarHBondContact O-N 2.83Å; W508-E511 VanDerWaalsContact CA-OE2 3.31Å; W508-E511 WeakPolarHBondContact CA-OE2 3.43Å; W508-E511 PolarHBondContact N-OE2 3.46Å; W508-A512 HydrophobicContact CE3-CB 4.25Å; W508-A512 WeakPolarHBondContact O-CA 3.39Å; W508-A512 WeakPolarHBondContact O-CB 3.12Å; W508-A512 PolarHBondContact O-N 2.93Å
509	M	74.1	Confident	71.3	Confident	40 Å²	40	85.5 Å²	85.5	20%	0.197	41%	0.412	C	S	.	.	H	α-helix	trans	-75.8	-34.8	177.9	-174.5	-178.6	-71.9	0	0	111.2	E504 R506 K507 H513	E504-M509 HydrophobicContact CB-CE 3.88Å; E504-M509 HydrophobicContact CB-SD 3.94Å; R506-M509 HydrophobicContact CB-CB 4.12Å; R506-M509 WeakPolarHBondContact O-CB 3.46Å; R506-M509 PolarHBondContact O-N 3.49Å; K507-M509 PolarHBondContact O-N 2.98Å; K507-M509 VanDerWaalsContact O-N 3.16Å; M509-H513 VanDerWaalsContact O-CB 3.24Å; M509-H513 WeakPolarHBondContact O-CB 3.3Å; M509-H513 PolarHBondContact O-N 3.5Å
510	V	70.1	Confident	71.1	Confident	25 Å²	25	86.6 Å²	86.6	15%	0.152	41%	0.407	C	S	.	.	H	α-helix	trans	-70.6	-42.2	170.9	-177.3	0	0	0	0	110.1	Q493 M502 R506 K507 H513 I514	Q493-V510 HydrophobicContact CB-CG2 4.26Å; M502-V510 HydrophobicContact CG-CG2 4.46Å; R506-V510 PolarHBondContact O-N 3.14Å; K507-V510 PolarHBondContact O-N 3.08Å; K507-V510 VanDerWaalsContact O-N 3.08Å; V510-H513 PolarHBondContact O-N 3.1Å; V510-I514 HydrophobicContact CG1-CD1 3.97Å; V510-I514 WeakPolarHBondContact O-CB 3.49Å; V510-I514 VanDerWaalsContact O-CG1 3.26Å; V510-I514 WeakPolarHBondContact O-CG1 3.48Å; V510-I514 PolarHBondContact O-N 2.74Å
511	E	71.1	Confident	70.6	Confident	87 Å²	87	82.3 Å²	82.3	41%	0.407	39%	0.394	S	S	.	.	H	α-helix	trans	-65	-42	176.5	-66.6	166.2	146.2	0	0	112.3	K507 W508 I514 R515	K507-E511 VanDerWaalsContact CE-OE1 3.28Å; K507-E511 WeakPolarHBondContact CE-OE1 3.35Å; K507-E511 HydrophobicContact CG-CG 4.45Å; K507-E511 IonicContact NZ-OE1 2.95Å; K507-E511 PolarHBondContact NZ-OE1 3.13Å; K507-E511 WeakPolarHBondContact O-CG 3.43Å; K507-E511 PolarHBondContact O-N 2.94Å; W508-E511 VanDerWaalsContact CA-OE2 3.31Å; W508-E511 WeakPolarHBondContact CA-OE2 3.43Å; W508-E511 PolarHBondContact N-OE2 3.46Å; E511-I514 PolarHBondContact O-N 3.3Å; E511-R515 VanDerWaalsContact O-CB 3.31Å; E511-R515 WeakPolarHBondContact O-CB 3.28Å; E511-R515 PolarHBondContact O-N 3.26Å
512	A	79.1	Confident	70.2	Confident	15 Å²	15	78 Å²	78	12%	0.124	38%	0.377	C	S	.	.	H	α-helix	trans	-64.6	-44.7	174.5	0	0	0	0	0	111.1	W508 I514 R515 E516	W508-A512 HydrophobicContact CE3-CB 4.25Å; W508-A512 WeakPolarHBondContact O-CA 3.39Å; W508-A512 WeakPolarHBondContact O-CB 3.12Å; W508-A512 PolarHBondContact O-N 2.93Å; A512-I514 PolarHBondContact O-N 3.3Å; A512-R515 CarbonylContact O-C 3.57Å; A512-R515 PolarHBondContact O-N 3.06Å; A512-R515 VanDerWaalsContact O-N 3.1Å; A512-E516 WeakPolarHBondContact O-CB 3.45Å; A512-E516 VanDerWaalsContact O-CG 3.31Å; A512-E516 WeakPolarHBondContact O-CG 3.45Å; A512-E516 PolarHBondContact O-N 2.94Å
513	H	81	Confident	69.6	Low	19 Å²	19	80.6 Å²	80.6	9%	0.088	40%	0.401	C	S	.	.	H	α-helix	trans	-61.7	-40.8	174.6	169.3	52	0	0	0	112.6	C495 C498 M502 M509 V510 R515 E516 A517	C495-H513 WeakPolarHBondContact CB-NE2 3.41Å; C495-H513 VanDerWaalsContact SG-CD2 3.56Å; C495-H513 PolarHBondContact SG-NE2 3.25Å; C495-H513 VanDerWaalsContact SG-NE2 3.4Å; C498-H513 PolarHBondContact SG-NE2 2.71Å; M502-H513 HydrophobicContact CE-CB 4.09Å; M502-H513 WeakPolarHBondContact CE-CD2 3.32Å; M502-H513 VanDerWaalsContact CE-CG 3.44Å; M502-H513 HydrophobicContact SD-CB 4.43Å; M509-H513 VanDerWaalsContact O-CB 3.24Å; M509-H513 WeakPolarHBondContact O-CB 3.3Å; M509-H513 PolarHBondContact O-N 3.5Å; V510-H513 PolarHBondContact O-N 3.1Å; H513-R515 VanDerWaalsContact C-N 3.33Å; H513-E516 PolarHBondContact O-N 3.24Å; H513-A517 WeakPolarHBondContact CE1-CB 3.36Å; H513-A517 VanDerWaalsContact O-CB 3.29Å; H513-A517 WeakPolarHBondContact O-CB 3.28Å; H513-A517 PolarHBondContact O-N 2.93Å
514	I	78.2	Confident	69.2	Low	35 Å²	35	83 Å²	83	18%	0.179	40%	0.402	C	S	.	.	H	α-helix	trans	-61.7	-43.3	172.2	-70.5	165.4	0	0	0	109.9	P496 I497 V510 E511 A512 E516 H518 V522	P496-I514 HydrophobicContact CG-CD1 4.19Å; I497-I514 HydrophobicContact CD1-CG1 4.27Å; I497-I514 HydrophobicContact CD1-CG2 4.08Å; V510-I514 HydrophobicContact CG1-CD1 3.97Å; V510-I514 WeakPolarHBondContact O-CB 3.49Å; V510-I514 VanDerWaalsContact O-CG1 3.26Å; V510-I514 WeakPolarHBondContact O-CG1 3.48Å; V510-I514 PolarHBondContact O-N 2.74Å; E511-I514 PolarHBondContact O-N 3.3Å; A512-I514 PolarHBondContact O-N 3.3Å; I514-E516 VanDerWaalsContact C-N 3.34Å; I514-E516 PolarHBondContact O-N 2.62Å; I514-H518 HydrophobicContact CG2-CB 4.39Å; I514-H518 CarbonylContact O-C 3.56Å; I514-H518 WeakPolarHBondContact O-CA 3.5Å; I514-H518 VanDerWaalsContact O-CB 3.3Å; I514-H518 WeakPolarHBondContact O-CB 3.3Å; I514-H518 PolarHBondContact O-N 2.86Å; I514-H518 VanDerWaalsContact O-O 3.13Å; I514-V522 HydrophobicContact CG2-CG2 3.81Å
515	R	79.4	Confident	68.7	Low	167 Å²	167	86.5 Å²	86.5	63%	0.63	42%	0.418	S	S	*	.	H	α-helix	trans	-70.3	-24.7	179.7	-162.8	-176.8	66.6	-167.6	-1.7	114.5	E511 A512 H513 V522	E511-R515 VanDerWaalsContact O-CB 3.31Å; E511-R515 WeakPolarHBondContact O-CB 3.28Å; E511-R515 PolarHBondContact O-N 3.26Å; A512-R515 CarbonylContact O-C 3.57Å; A512-R515 PolarHBondContact O-N 3.06Å; A512-R515 VanDerWaalsContact O-N 3.1Å; H513-R515 VanDerWaalsContact C-N 3.33Å; R515-V522 HydrophobicContact CB-CG2 4.45Å
516	E	78.1	Confident	68	Low	147 Å²	147	86.2 Å²	86.2	69%	0.687	43%	0.425	S	S	*	.	H	α-helix	trans	-96.4	-36.2	-178.9	-73.4	169.4	-164.3	0	0	113.5	A512 H513 I514	A512-E516 WeakPolarHBondContact O-CB 3.45Å; A512-E516 VanDerWaalsContact O-CG 3.31Å; A512-E516 WeakPolarHBondContact O-CG 3.45Å; A512-E516 PolarHBondContact O-N 2.94Å; H513-E516 PolarHBondContact O-N 3.24Å; I514-E516 VanDerWaalsContact C-N 3.34Å; I514-E516 PolarHBondContact O-N 2.62Å
517	A	77.8	Confident	66.6	Low	47 Å²	47	84.2 Å²	84.2	39%	0.388	44%	0.442	S	S	.	.	H	α-helix	trans	-107.4	-14.9	-176.7	0	0	0	0	0	113.9	H513 P519	H513-A517 WeakPolarHBondContact CE1-CB 3.36Å; H513-A517 VanDerWaalsContact O-CB 3.29Å; H513-A517 WeakPolarHBondContact O-CB 3.28Å; H513-A517 PolarHBondContact O-N 2.93Å; A517-P519 VanDerWaalsContact C-CD 3.44Å
518	H	81.2	Confident	65.2	Low	20 Å²	20	81.4 Å²	81.4	9%	0.093	44%	0.442	C	S	.	.			trans	-132.9	50.8	177.2	-61.1	-60.6	0	0	0	113.1	I497 C498 I514 E520 A521 V522	I497-H518 HydrophobicContact CD1-CB 3.62Å; I497-H518 WeakPolarHBondContact CG2-ND1 3.48Å; C498-H518 VanDerWaalsContact CB-NE2 3.33Å; C498-H518 WeakPolarHBondContact CB-NE2 3.46Å; C498-H518 PolarHBondContact SG-NE2 3.16Å; I514-H518 HydrophobicContact CG2-CB 4.39Å; I514-H518 CarbonylContact O-C 3.56Å; I514-H518 WeakPolarHBondContact O-CA 3.5Å; I514-H518 VanDerWaalsContact O-CB 3.3Å; I514-H518 WeakPolarHBondContact O-CB 3.3Å; I514-H518 PolarHBondContact O-N 2.86Å; I514-H518 VanDerWaalsContact O-O 3.13Å; H518-E520 VanDerWaalsContact C-OE2 3.29Å; H518-E520 VanDerWaalsContact CA-OE1 3.32Å; H518-E520 WeakPolarHBondContact CA-OE1 3.45Å; H518-E520 WeakPolarHBondContact CA-OE2 3.47Å; H518-E520 IonicContact CG-OE1 2.74Å; H518-E520 IonicContact ND1-OE1 2.66Å; H518-E520 PolarHBondContact ND1-OE1 3.39Å; H518-E520 PolarHBondContact O-N 3.49Å; H518-E520 VanDerWaalsContact O-N 3.12Å; H518-A521 HydrophobicContact CB-CB 4.17Å; H518-A521 PolarHBondContact O-N 3.23Å; H518-V522 PolarHBondContact O-N 3.06Å
519	P	73.9	Confident	63.1	Low	78 Å²	78	79.5 Å²	79.5	51%	0.506	45%	0.451	S	S	.	.	H	α-helix	trans	-55.5	-28.7	177.4	26.3	-35.9	0	0	0	112.7	A517 A521 V522 A523	A517-P519 VanDerWaalsContact C-CD 3.44Å; P519-A521 PolarHBondContact O-N 2.91Å; P519-V522 PolarHBondContact O-N 3.48Å; P519-A523 PolarHBondContact O-N 3.07Å
520	E	69	Low	61.3	Low	113 Å²	113	82.9 Å²	82.9	53%	0.528	48%	0.479	S	S	.	.	H	α-helix	trans	-58.7	-41.1	173.3	67.4	-73.3	172.3	0	0	113.2	H518 V522 A523	H518-E520 VanDerWaalsContact C-OE2 3.29Å; H518-E520 VanDerWaalsContact CA-OE1 3.32Å; H518-E520 WeakPolarHBondContact CA-OE1 3.45Å; H518-E520 WeakPolarHBondContact CA-OE2 3.47Å; H518-E520 IonicContact CG-OE1 2.74Å; H518-E520 IonicContact ND1-OE1 2.66Å; H518-E520 PolarHBondContact ND1-OE1 3.39Å; H518-E520 PolarHBondContact O-N 3.49Å; H518-E520 VanDerWaalsContact O-N 3.12Å; E520-V522 VanDerWaalsContact C-N 3.34Å; E520-V522 PolarHBondContact O-N 3.03Å; E520-A523 PolarHBondContact O-N 3.12Å
521	A	60.7	Low	59.6	Low	34 Å²	34	91.1 Å²	91.1	28%	0.281	52%	0.516	S	S	.	.	H	α-helix	trans	-77.9	-19.8	-178.7	0	0	0	0	0	113.1	I497 H518 P519	I497-A521 HydrophobicContact CD1-CB 3.54Å; H518-A521 HydrophobicContact CB-CB 4.17Å; H518-A521 PolarHBondContact O-N 3.23Å; P519-A521 PolarHBondContact O-N 2.91Å
522	V	58.9	Low	57.8	Low	43 Å²	43	92.1 Å²	92.1	26%	0.261	53%	0.532	S	S	.	.	H	α-helix	trans	-79.1	-31.1	175.4	179.3	0	0	0	0	111.3	I514 R515 H518 P519 E520 E524 H525 I526	I514-V522 HydrophobicContact CG2-CG2 3.81Å; R515-V522 HydrophobicContact CB-CG2 4.45Å; H518-V522 PolarHBondContact O-N 3.06Å; P519-V522 PolarHBondContact O-N 3.48Å; E520-V522 VanDerWaalsContact C-N 3.34Å; E520-V522 PolarHBondContact O-N 3.03Å; V522-E524 PolarHBondContact O-N 3.16Å; V522-H525 PolarHBondContact O-N 2.79Å; V522-I526 HydrophobicContact CG1-CD1 3.79Å; V522-I526 HydrophobicContact CG1-CG1 4.39Å
523	A	54.9	Low	55.9	Low	70 Å²	70	101.2 Å²	101.2	58%	0.579	57%	0.569	S	S	*	*	H	α-helix	trans	-62.3	-38	-178.8	0	0	0	0	0	113.3	P519 E520 H525	P519-A523 PolarHBondContact O-N 3.07Å; E520-A523 PolarHBondContact O-N 3.12Å; A523-H525 VanDerWaalsContact C-N 3.34Å; A523-H525 PolarHBondContact O-N 2.99Å
524	E	48.1	Very low	53.8	Low	170 Å²	170	107.3 Å²	107.3	79%	0.794	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.4	-19.9	-175.9	-61.5	-167.1	142.4	0	0	114	V522	V522-E524 PolarHBondContact O-N 3.16Å
525	H	46.1	Very low	51.8	Low	147 Å²	147	114.8 Å²	114.8	68%	0.681	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.3	-17.8	-178.7	-91.4	-71.6	0	0	0	115.2	V522 A523 G527 S528	V522-H525 PolarHBondContact O-N 2.79Å; A523-H525 VanDerWaalsContact C-N 3.34Å; A523-H525 PolarHBondContact O-N 2.99Å; H525-G527 VanDerWaalsContact C-N 3.26Å; H525-G527 PolarHBondContact O-N 2.99Å; H525-S528 PolarHBondContact O-N 3.39Å
526	I	41.2	Very low	50	Low	129 Å²	129	116.4 Å²	116.4	66%	0.662	65%	0.647	S	S	*	*	G	3₁₀ helix	trans	-69.2	-22.6	-176.9	-75.1	172.8	0	0	0	112.7	V522 S528	V522-I526 HydrophobicContact CG1-CD1 3.79Å; V522-I526 HydrophobicContact CG1-CG1 4.39Å; I526-S528 PolarHBondContact O-N 3.45Å
527	G	35	Very low	48.1	Very low	77 Å²	77	118.4 Å²	118.4	79%	0.794	65%	0.654	S	S	*	*	G	3₁₀ helix	trans	-70.8	-10	176.6	0	0	0	0	0	115.8	H525	H525-G527 VanDerWaalsContact C-N 3.26Å; H525-G527 PolarHBondContact O-N 2.99Å
528	S	35.5	Very low	46.2	Very low	102 Å²	102	123 Å²	123	71%	0.713	67%	0.671	S	S	*	*	G	3₁₀ helix	trans	-123.2	7	-160.4	-57.4	0	0	0	0	115.6	H525 I526	H525-S528 PolarHBondContact O-N 3.39Å; I526-S528 PolarHBondContact O-N 3.45Å
529	S	32.7	Very low	44.1	Very low	105 Å²	105	130.8 Å²	130.8	73%	0.734	70%	0.704	S	S	*	*			trans	-125.6	61.8	-176	-160.6	0	0	0	0	112.4
530	S	35.3	Very low	42.1	Very low	111 Å²	111	131.9 Å²	131.9	78%	0.776	71%	0.714	S	S	*	*	S	Bend	trans	-155.4	39.8	177.4	-74.7	0	0	0	0	113.4
531	Q	33.8	Very low	40.5	Very low	198 Å²	198	133.5 Å²	133.5	93%	0.925	73%	0.726	S	S	*	*			trans	-160.8	161.2	169.5	-114.1	158.1	58.5	0	0	112.5
532	S	33.9	Very low	39.4	Very low	108 Å²	108	138.8 Å²	138.8	76%	0.755	75%	0.745	S	S	*	*			trans	83.7	63.2	173.8	-152.8	0	0	0	0	119.3
533	K	39.1	Very low	38.4	Very low	206 Å²	206	144.5 Å²	144.5	90%	0.896	77%	0.768	S	S	*	*	S	Bend	trans	-131.6	50.2	133.6	-81.8	-161.8	177.6	-176	0	110.9
534	N	36.8	Very low	37.5	Very low	146 Å²	146	146.5 Å²	146.5	78%	0.781	78%	0.778	S	S	*	*	S	Bend	trans	176.5	123.1	160.3	-95.6	-26.1	0	0	0	109.3
535	H	36.7	Very low	37	Very low	193 Å²	193	146.9 Å²	146.9	89%	0.894	78%	0.784	S	S	*	*			trans	159.8	107.1	142.2	-95.4	-70.4	0	0	0	110.3
536	K	41.1	Very low	36.3	Very low	200 Å²	200	144.5 Å²	144.5	87%	0.87	78%	0.784	S	S	*	*			trans	-109.3	133	166.3	-159.9	168.2	-172.4	171.4	0	107.1
537	K	38.8	Very low	36.1	Very low	190 Å²	190	145.8 Å²	145.8	83%	0.826	79%	0.792	S	S	*	*			trans	67.6	108.1	169.7	-99	-179	176.8	-179.7	0	117.8
538	I	37.8	Very low	36.1	Very low	143 Å²	143	146.2 Å²	146.2	73%	0.733	79%	0.788	S	S	*	*				150.3	112.7	109.3	-79.3	152.7	0	0	0	114.8
539	K	36.3	Very low	36.2	Very low	184 Å²	184	147.9 Å²	147.9	80%	0.8	79%	0.794	S	S	*	*			trans	42.3	102.4	141.7	-58.4	-176.8	177.7	-177.7	0	122
540	S	33.3	Very low	36.3	Very low	101 Å²	101	149 Å²	149	71%	0.706	80%	0.796	S	S	*	*				34.3	113.3	115.9	63.1	0	0	0	0	121.1
541	N	35	Very low	36.5	Very low	147 Å²	147	149.3 Å²	149.3	79%	0.786	80%	0.796	S	S	*	*				177.5	158.8	128.1	-96.7	11.4	0	0	0	108.3
542	E	37.6	Very low	36.6	Very low	144 Å²	144	146.6 Å²	146.6	67%	0.673	79%	0.793	S	S	*	*			cis	-169.5	-176.1	-35.6	-149	-177.2	-143.8	0	0	106.6
543	H	37.8	Very low	36.8	Very low	163 Å²	163	146.9 Å²	146.9	76%	0.755	80%	0.795	S	S	*	*			trans	68.1	89.3	162.3	-79.9	78.5	0	0	0	120.4
544	S	34.8	Very low	37.2	Very low	113 Å²	113	143 Å²	143	79%	0.79	79%	0.79	S	S	*	*			trans	-26.5	149.9	147.2	-40	0	0	0	0	118.7
545	I	37.6	Very low	37.3	Very low	177 Å²	177	141.5 Å²	141.5	91%	0.908	79%	0.789	S	S	*	*			trans	-140.1	140.4	137	-91.4	149.6	0	0	0	108
546	S	31.6	Very low	38	Very low	97 Å²	97	138.4 Å²	138.4	68%	0.678	79%	0.786	S	S	*	*			trans	-132.5	149.9	176.4	57.1	0	0	0	0	111.1
547	N	36.7	Very low	37.6	Very low	157 Å²	157	134.6 Å²	134.6	84%	0.84	78%	0.78	S	S	*	*			trans	176.1	121.5	153.3	-88.3	-30.2	0	0	0	107.8
548	A	36.1	Very low	37.3	Very low	85 Å²	85	131.8 Å²	131.8	70%	0.702	78%	0.779	S	S	*	*				60.7	124.5	90.3	0	0	0	0	0	113.1
549	T	38.5	Very low	37	Very low	137 Å²	137	131 Å²	131	84%	0.84	78%	0.781	S	S	*	*				-160.5	169	61	-59.7	0	0	0	0	113.2
550	T	34.7	Very low	36.7	Very low	129 Å²	129	128.7 Å²	128.7	79%	0.791	78%	0.782	S	S	*	*			trans	-63	166.7	-164.5	44.5	0	0	0	0	120.7
551	P	38.4	Very low	36.7	Very low	117 Å²	117	128.7 Å²	128.7	76%	0.76	79%	0.788	S	S	*	*			trans	-109.9	161.2	-174.5	41.4	-34.1	0	0	0	116.3
552	T	36.5	Very low	36.6	Very low	142 Å²	142	126.2 Å²	126.2	87%	0.871	79%	0.788	S	S	*	*			trans	-163.3	121.5	155.3	-38.8	0	0	0	0	114.1
553	S	37.8	Very low	36.2	Very low	113 Å²	113	123.9 Å²	123.9	79%	0.79	79%	0.788	S	S	*	*			trans	174.4	138.1	143	56.5	0	0	0	0	112.9
554	P	46.3	Very low	36.1	Very low	124 Å²	124	123.5 Å²	123.5	81%	0.805	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-96.9	169	-178.5	38.2	-35.1	0	0	0	114.9
555	P	40.4	Very low	35.8	Very low	115 Å²	115	128.4 Å²	128.4	75%	0.747	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-97	162.8	-169.7	38.1	-37	0	0	0	115.7
556	P	50.8	Low	35.6	Very low	129 Å²	129	127.4 Å²	127.4	84%	0.838	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-84.6	161.6	165.3	35.7	-33.9	0	0	0	112.8
557	T	33.4	Very low	35.5	Very low	119 Å²	119	128.1 Å²	128.1	73%	0.73	79%	0.791	S	S	*	*			trans	-117.6	169.4	-177.3	51.2	0	0	0	0	112.8
558	T	31.5	Very low	35.5	Very low	132 Å²	132	127.4 Å²	127.4	81%	0.81	79%	0.793	S	S	*	*			trans	71.4	148.6	176.4	72.2	0	0	0	0	114.6
559	T	32.7	Very low	35.3	Very low	126 Å²	126	129.8 Å²	129.8	77%	0.773	79%	0.793	S	S	*	*			cis	-138.9	155.4	22.5	-59.6	0	0	0	0	113.8
560	T	30	Very low	34.9	Very low	135 Å²	135	130.2 Å²	130.2	83%	0.828	79%	0.79	S	S	*	*			trans	-43.1	138.4	174.3	-38.4	0	0	0	0	116.6
561	A	33.1	Very low	34.8	Very low	101 Å²	101	134.2 Å²	134.2	84%	0.835	80%	0.796	S	S	*	*			trans	-137.5	146.1	151.8	0	0	0	0	0	108.9
562	A	32.6	Very low	34.4	Very low	96 Å²	96	139.7 Å²	139.7	79%	0.793	80%	0.802	S	S	*	*			trans	-101.2	166.6	-163.9	0	0	0	0	0	114.9
563	S	29.7	Very low	34.3	Very low	94 Å²	94	139.6 Å²	139.6	66%	0.657	80%	0.801	S	S	*	*			trans	-51.2	152.8	174.9	53.9	0	0	0	0	115.6
564	N	34.6	Very low	33.8	Very low	156 Å²	156	141.4 Å²	141.4	83%	0.834	80%	0.802	S	S	*	*			trans	-148	91.7	136.6	-98.5	-29.3	0	0	0	110.7
565	Y	29.1	Very low	33.1	Very low	215 Å²	215	143.4 Å²	143.4	84%	0.843	81%	0.806	S	S	*	*			trans	-80.7	140	155.1	-78.5	-92.6	0	0	0	108
566	N	33.3	Very low	32.6	Very low	157 Å²	157	143.6 Å²	143.6	84%	0.84	81%	0.809	S	S	*	*			trans	-138	138	164.4	-108.8	-36.2	0	0	0	110.4
567	T	29.8	Very low	31.9	Very low	111 Å²	111	143.6 Å²	143.6	68%	0.681	81%	0.806	S	S	*	*			trans	-135	103.3	-162.4	-51.7	0	0	0	0	111
568	T	36.3	Very low	31.8	Very low	143 Å²	143	143.3 Å²	143.3	88%	0.877	81%	0.809	S	S	*	*			trans	-136.1	92	175.1	45.7	0	0	0	0	107.9
569	L	32.5	Very low	32.1	Very low	134 Å²	134	144.1 Å²	144.1	70%	0.702	81%	0.808	S	S	*	*				76.2	94	50.1	-153.9	155.6	0	0	0	112.5
570	N	28.9	Very low	32.2	Very low	146 Å²	146	146.2 Å²	146.2	78%	0.781	81%	0.809	S	S	*	*			trans	60.2	106.9	163.6	-61.1	-21.8	0	0	0	120.2
571	K	33.9	Very low	32.3	Very low	213 Å²	213	147.7 Å²	147.7	93%	0.926	81%	0.811	S	S	*	*				-152.1	152	114.8	-103.7	156.5	-171.6	177.2	0	110.3
572	R	29.2	Very low	32.3	Very low	232 Å²	232	153.1 Å²	153.1	88%	0.875	81%	0.809	S	S	*	*			trans	-90.5	127.1	-175.1	-72.4	168.8	162.9	151.7	-8	111.3
573	T	33.7	Very low	32.7	Very low	141 Å²	141	158 Å²	158	87%	0.865	81%	0.812	S	S	*	*			trans	-168.7	90.7	149.7	17.1	0	0	0	0	109.7	N575	T573-N575 PolarHBondContact O-N 2.87Å
574	D	28.8	Very low	32.7	Very low	151 Å²	151	163.2 Å²	163.2	81%	0.807	82%	0.818	S	S	*	*			trans	-78.7	103.5	-178.1	-59	-59.4	0	0	0	111.8
575	N	31.2	Very low	33	Very low	166 Å²	166	164.9 Å²	164.9	89%	0.888	82%	0.818	S	S	*	*			trans	168.8	82.5	138.8	-87.2	-31.5	0	0	0	112	T573	T573-N575 PolarHBondContact O-N 2.87Å
576	C	30.3	Very low	33.4	Very low	118 Å²	118	163.4 Å²	163.4	80%	0.797	82%	0.818	S	S	*	*			trans	-144	124.9	158.6	-150.7	0	0	0	0	109.7	S578	C576-S578 PolarHBondContact O-N 2.84Å
577	V	35.7	Very low	33.1	Very low	130 Å²	130	164.2 Å²	164.2	79%	0.788	82%	0.815	S	S	*	*			trans	-87	87.2	-178.9	-179.1	0	0	0	0	109.2	L579	V577-L579 HydrophobicContact CG1-CD1 4.17Å; V577-L579 HydrophobicContact CG1-CG 4.16Å; V577-L579 PolarHBondContact O-N 3.18Å
578	S	31.4	Very low	33.2	Very low	112 Å²	112	168.7 Å²	168.7	78%	0.783	82%	0.819	S	S	*	*			trans	-78.8	98.9	165.2	-63.6	0	0	0	0	109.5	C576	C576-S578 PolarHBondContact O-N 2.84Å
579	L	37.7	Very low	33.1	Very low	150 Å²	150	167.9 Å²	167.9	79%	0.785	82%	0.816	S	S	*	*			trans	-111.9	150.3	160.3	-76.6	172.9	0	0	0	109.4	V577 L581	V577-L579 HydrophobicContact CG1-CD1 4.17Å; V577-L579 HydrophobicContact CG1-CG 4.16Å; V577-L579 PolarHBondContact O-N 3.18Å; L579-L581 PolarHBondContact O-N 3Å
580	E	33.5	Very low	33	Very low	170 Å²	170	167.6 Å²	167.6	79%	0.794	82%	0.815	S	S	*	*			trans	-75.1	123.3	-151.1	-59.1	-173.8	110.9	0	0	115.3	R582	E580-R582 PolarHBondContact O-N 3.34Å
581	L	32.7	Very low	33.1	Very low	166 Å²	166	169.7 Å²	169.7	87%	0.869	82%	0.818	S	S	*	*			trans	-74.9	65.4	167.3	-78.3	167.4	0	0	0	111.8	L579	L579-L581 PolarHBondContact O-N 3Å
582	R	33.9	Very low	33	Very low	214 Å²	214	166.5 Å²	166.5	81%	0.808	82%	0.816	S	S	*	*			trans	-139.9	65.4	177.2	-72.7	-169	172.5	178.3	-1.3	114.2	E580	E580-R582 PolarHBondContact O-N 3.34Å
583	K	39.5	Very low	33	Very low	198 Å²	198	162.9 Å²	162.9	86%	0.861	81%	0.813	S	S	*	*	S	Bend	trans	-170.4	-21.2	153	-112.5	161	-174.9	178.4	0	116.4	K585	K583-K585 PolarHBondContact O-N 3.36Å; K583-K585 VanDerWaalsContact O-N 3.15Å
584	W	30.2	Very low	32.6	Very low	204 Å²	204	161.6 Å²	161.6	77%	0.773	81%	0.81	S	S	*	*			trans	-88.1	87.3	-168.9	-70.4	54.3	0	0	0	111.8	F587	W584-F587 HydrophobicContact CE3-CB 4.46Å
585	K	42	Very low	32.9	Very low	192 Å²	192	158.7 Å²	158.7	84%	0.835	80%	0.802	S	S	*	*	S	Bend	trans	-123.1	0.6	174.3	-111.1	-171.5	178.2	-172	0	115	K583	K583-K585 PolarHBondContact O-N 3.36Å; K583-K585 VanDerWaalsContact O-N 3.15Å
586	H	37.6	Very low	32.8	Very low	184 Å²	184	157.2 Å²	157.2	85%	0.852	80%	0.799	S	S	*	*	S	Bend	trans	-132.2	9.5	-170.9	-63.8	-23.9	0	0	0	114.8	R588	H586-R588 PolarHBondContact O-N 3.35Å
587	F	26.9	Very low	32.9	Very low	174 Å²	174	156.6 Å²	156.6	76%	0.763	79%	0.788	S	S	*	*			trans	-89.9	100.3	174.1	-119.7	-92.4	0	0	0	110.4	W584	W584-F587 HydrophobicContact CE3-CB 4.46Å
588	R	31.3	Very low	32.8	Very low	205 Å²	205	156.5 Å²	156.5	77%	0.774	78%	0.783	S	S	*	*			trans	-93.2	125	155.9	-79.2	-174.5	174	-174.7	-1	107.9	H586 D590	H586-R588 PolarHBondContact O-N 3.35Å; R588-D590 PolarHBondContact O-N 3.26Å
589	P	34	Very low	33.2	Very low	125 Å²	125	155 Å²	155	81%	0.812	77%	0.766	S	S	*	*			trans	-79.9	96.2	160.9	31.2	-28.6	0	0	0	108.3
590	D	30.7	Very low	33.4	Very low	128 Å²	128	150.1 Å²	150.1	68%	0.684	74%	0.741	S	S	*	*			trans	-76.4	124.6	173	-75.7	-49.4	0	0	0	110.3	R588	R588-D590 PolarHBondContact O-N 3.26Å
591	K	30.8	Very low	33.8	Very low	191 Å²	191	147.1 Å²	147.1	83%	0.83	73%	0.73	S	S	*	*			trans	30.1	86.8	163.5	-63.8	-176.3	177.5	-177.5	0	117.6
592	V	32.4	Very low	34.3	Very low	146 Å²	146	143 Å²	143	89%	0.885	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-90.8	142.8	130.4	-85	0	0	0	0	108.3
593	N	28.7	Very low	34.6	Very low	155 Å²	155	138.5 Å²	138.5	83%	0.829	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-75.1	156.7	-168.8	-72.7	-27.5	0	0	0	113
594	S	26.4	Very low	34.8	Very low	114 Å²	114	137.2 Å²	137.2	80%	0.797	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-85.4	125.5	-177.4	52.3	0	0	0	0	113.6
595	S	33.2	Very low	35	Very low	91 Å²	91	132.9 Å²	132.9	64%	0.636	69%	0.69	S	S	*	*			trans	-110.9	168.1	136.6	63.2	0	0	0	0	108.4	D597	S595-D597 WeakPolarHBondContact CB-OD2 3.26Å; S595-D597 PolarHBondContact OG-OD2 3.15Å
596	T	29.6	Very low	34.9	Very low	134 Å²	134	130.8 Å²	130.8	82%	0.822	69%	0.688	S	S	*	*			trans	-132.8	76.3	-169.4	49.1	0	0	0	0	110.7
597	D	33.1	Very low	34.9	Very low	105 Å²	105	130.9 Å²	130.9	56%	0.561	69%	0.689	S	S	*	*			trans	-121	113.7	-167.9	-34.6	-54.4	0	0	0	108.1	S595 D599	S595-D597 WeakPolarHBondContact CB-OD2 3.26Å; S595-D597 PolarHBondContact OG-OD2 3.15Å; D597-D599 PolarHBondContact O-N 2.86Å
598	D	34.1	Very low	35.6	Very low	129 Å²	129	131.5 Å²	131.5	69%	0.69	69%	0.694	S	S	*	*			trans	-105.4	55.6	-165.4	-139.1	-41.4	0	0	0	110.7	K363 D600	K363-D598 IonicContact NZ-OD1 3.9Å; K363-D598 PolarHBondContact NZ-OD1 3.38Å; D598-D600 PolarHBondContact O-N 3.39Å
599	D	38.2	Very low	36	Very low	79 Å²	79	129 Å²	129	42%	0.422	70%	0.696	S	S	.	*			trans	-60.1	55.6	-172.1	-39.8	-14.5	0	0	0	114.9	K310 D597 D601	K310-D599 IonicContact NZ-OD2 3.71Å; K310-D599 PolarHBondContact NZ-OD2 3.3Å; D597-D599 PolarHBondContact O-N 2.86Å; D599-D601 PolarHBondContact O-N 3.14Å
600	D	42.1	Very low	36	Very low	48 Å²	48	131.3 Å²	131.3	26%	0.257	70%	0.702	S	S	.	*			trans	-78.1	51.3	169.1	-101.4	-57.1	0	0	0	110.6	Y326 K338 K363 D598 D602	Y326-D600 PolarHBondContact OH-OD1 3.42Å; K338-D600 PolarHBondContact NZ-O 2.91Å; K363-D600 IonicContact NZ-OD2 3.31Å; K363-D600 PolarHBondContact NZ-OD2 3.19Å; D598-D600 PolarHBondContact O-N 3.39Å; D600-D602 PolarHBondContact O-N 3.48Å; D600-D602 VanDerWaalsContact O-N 3.1Å
601	D	43.7	Very low	36.7	Very low	107 Å²	107	133.9 Å²	133.9	57%	0.572	71%	0.71	S	S	*	*			trans	-49.6	93	-170.7	-165.8	4.2	0	0	0	115	D599	D599-D601 PolarHBondContact O-N 3.14Å
602	D	42.5	Very low	37	Very low	80 Å²	80	133.2 Å²	133.2	43%	0.428	72%	0.715	S	S	.	*	S	Bend	trans	-116.2	61.8	166.1	-90.8	-74.4	0	0	0	109.2	K338 K352 D600 E604	K338-D602 WeakPolarHBondContact CE-OD2 3.16Å; K338-D602 IonicContact NZ-OD2 3.42Å; K338-D602 PolarHBondContact NZ-OD2 3Å; K352-D602 IonicContact NZ-OD1 4Å; K352-D602 PolarHBondContact NZ-OD1 3.11Å; D600-D602 PolarHBondContact O-N 3.48Å; D600-D602 VanDerWaalsContact O-N 3.1Å; D602-E604 PolarHBondContact O-N 3.28Å
603	D	39.7	Very low	37.2	Very low	120 Å²	120	133.2 Å²	133.2	64%	0.642	71%	0.71	S	S	*	*	S	Bend	trans	71.8	22.7	162.1	-103.9	-19.9	0	0	0	118.4
604	E	43.2	Very low	37.6	Very low	171 Å²	171	132.8 Å²	132.8	80%	0.799	71%	0.706	S	S	*	*			trans	-123.7	111.9	177.9	-65.5	-161.2	162.3	0	0	115.3	D602	D602-E604 PolarHBondContact O-N 3.28Å
605	D	34.9	Very low	38.3	Very low	113 Å²	113	136.7 Å²	136.7	60%	0.604	71%	0.712	S	S	*	*			trans	45.4	78.7	148.4	-55.6	-5.1	0	0	0	120.8
606	D	39.3	Very low	38.3	Very low	148 Å²	148	135.7 Å²	135.7	79%	0.791	72%	0.716	S	S	*	*			trans	-84.3	131.5	158.5	-66	-36.7	0	0	0	111.6
607	E	37.4	Very low	38.7	Very low	185 Å²	185	136.9 Å²	136.9	86%	0.864	72%	0.717	S	S	*	*			trans	-109.4	173.1	162.2	-67.9	-173	170.1	0	0	109.7
608	E	42.5	Very low	38.7	Very low	187 Å²	187	139.8 Å²	139.8	87%	0.874	73%	0.733	S	S	*	*			trans	72.1	124.7	-170.8	-49.5	-179.6	-161	0	0	112.1
609	D	39.2	Very low	38.9	Very low	154 Å²	154	142.5 Å²	142.5	82%	0.824	74%	0.742	S	S	*	*			cis	-126.2	135.9	22.4	-65.8	-56.1	0	0	0	114.1
610	D	35.5	Very low	38.8	Very low	172 Å²	172	146.3 Å²	146.3	92%	0.92	76%	0.757	S	S	*	*			trans	-95.5	97.2	160.9	-94.2	-34.9	0	0	0	109.4
611	E	43.5	Very low	38.4	Very low	183 Å²	183	152.4 Å²	152.4	86%	0.855	78%	0.777	S	S	*	*			trans	-164.8	102.5	157.2	-119.7	176.2	-130.1	0	0	112
612	N	38.5	Very low	38	Very low	176 Å²	176	153.1 Å²	153.1	94%	0.941	78%	0.777	S	S	*	*			trans	-176	102.3	141.9	-102.1	-73.3	0	0	0	108.4
613	D	36.7	Very low	37.6	Very low	147 Å²	147	155.7 Å²	155.7	79%	0.786	79%	0.787	S	S	*	*			trans	-91.4	157.2	-176.5	-134.6	-23.4	0	0	0	110.8
614	I	35.9	Very low	37.3	Very low	145 Å²	145	158.1 Å²	158.1	74%	0.744	79%	0.787	S	S	*	*			trans	56.8	108	160.7	-53.8	158.3	0	0	0	117.1
615	E	41	Very low	36.8	Very low	196 Å²	196	157.2 Å²	157.2	92%	0.916	78%	0.783	S	S	*	*				-154.5	137.2	121.4	-120.7	171.4	-137.7	0	0	109.7
616	G	34.6	Very low	36.4	Very low	70 Å²	70	156.8 Å²	156.8	72%	0.722	79%	0.788	S	S	*	*			trans	-171.2	108.3	-178.8	0	0	0	0	0	110.2
617	D	37.8	Very low	36.2	Very low	159 Å²	159	157.5 Å²	157.5	85%	0.85	79%	0.787	S	S	*	*			trans	-133.6	129.7	174.2	-80.9	-51.1	0	0	0	108.6
618	D	32.3	Very low	35.8	Very low	167 Å²	167	156.6 Å²	156.6	89%	0.893	78%	0.78	S	S	*	*			trans	-103.7	98.4	176.2	-68.5	-56.8	0	0	0	109.6
619	E	38.4	Very low	35.3	Very low	186 Å²	186	153.8 Å²	153.8	87%	0.869	77%	0.771	S	S	*	*			trans	-170.9	147.8	170.4	-107.2	164.6	-139.8	0	0	108.5
620	E	36.7	Very low	35	Very low	158 Å²	158	152.9 Å²	152.9	74%	0.738	76%	0.762	S	S	*	*			cis	-154.5	-173.7	-15	-146	-169.2	176.2	0	0	109
621	Y	33.2	Very low	35	Very low	176 Å²	176	152.6 Å²	152.6	69%	0.69	75%	0.752	S	S	*	*			trans	1.1	152.2	147.8	-94.1	-139.9	0	0	0	121.1
622	E	35.3	Very low	34.4	Very low	123 Å²	123	148.6 Å²	148.6	58%	0.575	75%	0.745	S	S	*	*			cis	-170.7	165.5	-9.1	-139.6	-174.7	-174.9	0	0	108.2
623	E	34	Very low	33.9	Very low	133 Å²	133	149 Å²	149	62%	0.621	74%	0.739	S	S	*	*			trans	58.3	159.1	149.8	-67.5	-126.9	129.5	0	0	120.3
624	R	33	Very low	33.9	Very low	171 Å²	171	151.7 Å²	151.7	65%	0.645	74%	0.743	S	S	*	*			cis	-168.7	163	-25.3	-174.7	-174.2	-170.9	104	5.2	108.4
625	E	33.1	Very low	33.5	Very low	153 Å²	153	151.7 Å²	151.7	72%	0.715	75%	0.745	S	S	*	*			trans	60.8	110.7	156.3	-91.6	152.8	-145.3	0	0	120.7
626	S	27.6	Very low	33.2	Very low	103 Å²	103	148.1 Å²	148.1	72%	0.72	74%	0.742	S	S	*	*			trans	-59.7	143.5	153.1	53.3	0	0	0	0	113
627	H	33.9	Very low	32.9	Very low	164 Å²	164	151.8 Å²	151.8	76%	0.759	75%	0.745	S	S	*	*			trans	-162.8	132.8	133.4	-125.2	-93.9	0	0	0	115.8
628	F	29.8	Very low	32.7	Very low	165 Å²	165	151.5 Å²	151.5	72%	0.724	74%	0.743	S	S	*	*			trans	70	138.7	142.2	-115	-121	0	0	0	124.3
629	D	30.8	Very low	32.6	Very low	129 Å²	129	149.8 Å²	149.8	69%	0.69	73%	0.734	S	S	*	*			trans	-63.4	146.5	163.6	-53.6	-98.9	0	0	0	113.9
630	Q	33.6	Very low	32.4	Very low	135 Å²	135	151.2 Å²	151.2	63%	0.631	74%	0.737	S	S	*	*				174.3	142.1	101	-96.3	173.5	72.8	0	0	115.5
631	K	35.8	Very low	32.1	Very low	165 Å²	165	150 Å²	150	72%	0.717	74%	0.736	S	S	*	*			trans	62.8	112.8	142.7	-70.9	170	179	150.4	0	121
632	S	31.7	Very low	31.9	Very low	99 Å²	99	148.1 Å²	148.1	69%	0.692	74%	0.737	S	S	*	*				89	128.9	116	75.3	0	0	0	0	121.3
633	F	27.2	Very low	31.7	Very low	185 Å²	185	148 Å²	148	81%	0.811	74%	0.74	S	S	*	*			trans	39.1	111	142.1	-76.1	-88.1	0	0	0	119.7
634	K	36.3	Very low	31.6	Very low	203 Å²	203	147 Å²	147	88%	0.883	74%	0.743	S	S	*	*				-168.5	142.5	110.6	-96	141.9	-167.6	167	0	112.4
635	D	28	Very low	31.4	Very low	146 Å²	146	144.4 Å²	144.4	78%	0.781	75%	0.745	S	S	*	*			trans	-72.1	142.3	162.7	-37.1	-100.7	0	0	0	110.4
636	S	35	Very low	31.2	Very low	121 Å²	121	144 Å²	144	85%	0.846	75%	0.749	S	S	*	*			trans	-172.9	148.1	146.9	-82.9	0	0	0	0	111.7
637	N	27.9	Very low	31.4	Very low	147 Å²	147	146.5 Å²	146.5	79%	0.786	75%	0.749	S	S	*	*			trans	-74.8	151.9	-176.7	-42.2	-54.5	0	0	0	112.8
638	N	32.3	Very low	31	Very low	153 Å²	153	145.4 Å²	145.4	82%	0.818	75%	0.749	S	S	*	*			trans	-170.1	115.1	130.5	-87.2	-19.3	0	0	0	105.6
639	D	31.1	Very low	31.1	Very low	131 Å²	131	142.5 Å²	142.5	70%	0.701	76%	0.755	S	S	*	*				53.9	96.2	74.6	-76.3	-24.6	0	0	0	113.7
640	F	34.8	Very low	31	Very low	215 Å²	215	141.2 Å²	141.2	94%	0.943	76%	0.756	S	S	*	*			trans	-127.6	125.8	132.9	-104	-85.4	0	0	0	108.2
641	N	29	Very low	30.7	Very low	133 Å²	133	140.1 Å²	140.1	71%	0.711	76%	0.758	S	S	*	*			trans	-116.1	-158.4	-173	-167.3	2.3	0	0	0	108.5
642	I	30.9	Very low	30.3	Very low	137 Å²	137	138.4 Å²	138.4	70%	0.703	77%	0.765	S	S	*	*			trans	92.7	123.4	169	-56.8	168.6	0	0	0	114
643	D	31.2	Very low	30.3	Very low	120 Å²	120	137.5 Å²	137.5	64%	0.642	76%	0.759	S	S	*	*			cis	-164.6	164.5	-14.2	-113.2	-22.3	0	0	0	114.2
644	V	31.4	Very low	30.6	Very low	113 Å²	113	136.5 Å²	136.5	69%	0.685	76%	0.761	S	S	*	*			trans	44.7	104.9	141.1	178.1	0	0	0	0	118.5
645	V	28.5	Very low	30.2	Very low	115 Å²	115	133 Å²	133	70%	0.697	75%	0.752	S	S	*	*				69	112.4	76.9	179.5	0	0	0	0	116
646	N	29.5	Very low	30.4	Very low	146 Å²	146	133.9 Å²	133.9	78%	0.781	76%	0.756	S	S	*	*			trans	178.5	136.1	138.3	-86.7	-21.3	0	0	0	106.5
647	E	30.4	Very low	30.3	Very low	154 Å²	154	137.2 Å²	137.2	72%	0.72	76%	0.759	S	S	*	*			cis	65.4	91.4	44.7	-71.8	-152	-154.6	0	0	115.7
648	N	26.7	Very low	30.4	Very low	142 Å²	142	139.1 Å²	139.1	76%	0.759	76%	0.763	S	S	*	*			trans	63.8	148	145.5	-55.4	-51	0	0	0	119.7
649	A	30.5	Very low	30.5	Very low	104 Å²	104	139.2 Å²	139.2	86%	0.86	76%	0.762	S	S	*	*			trans	65.2	159.3	172	0	0	0	0	0	116.2
650	S	29.4	Very low	30.5	Very low	102 Å²	102	141 Å²	141	71%	0.713	77%	0.766	S	S	*	*			cis	-170.2	150.7	-25.4	-179.5	0	0	0	0	109.7
651	V	26.7	Very low	30.4	Very low	111 Å²	111	138.9 Å²	138.9	67%	0.673	76%	0.759	S	S	*	*			trans	64.1	123.2	156.5	162.8	0	0	0	0	120	S653	V651-S653 WeakPolarHBondContact CG1-OG 3.16Å
652	C	28	Very low	30.8	Very low	129 Å²	129	140.1 Å²	140.1	87%	0.872	76%	0.76	S	S	*	*				-158.9	90.9	129.3	-102.6	0	0	0	0	106.2
653	S	32.2	Very low	30.9	Very low	81 Å²	81	140.6 Å²	140.6	57%	0.566	76%	0.764	S	S	*	*				65	84.1	83.9	-69.2	0	0	0	0	114.1	V651	V651-S653 WeakPolarHBondContact CG1-OG 3.16Å
654	I	32.7	Very low	30.9	Very low	164 Å²	164	138.3 Å²	138.3	84%	0.841	77%	0.769	S	S	*	*			trans	-131.7	112.7	140.7	-61.6	-179.2	0	0	0	105.9
655	D	28.5	Very low	30.9	Very low	130 Å²	130	140.8 Å²	140.8	70%	0.695	78%	0.778	S	S	*	*			trans	-87.6	146.8	179	-47.3	-75.6	0	0	0	110.6
656	N	31.3	Very low	30.7	Very low	163 Å²	163	145 Å²	145	87%	0.872	78%	0.782	S	S	*	*			trans	-156.5	143.4	152.4	-98.6	-54.5	0	0	0	108.6
657	E	33.9	Very low	30.7	Very low	191 Å²	191	145.1 Å²	145.1	89%	0.893	78%	0.782	S	S	*	*			trans	-95.1	178.6	-155.8	-65.2	174	124.6	0	0	114.2
658	E	29.5	Very low	30.6	Very low	188 Å²	188	145.3 Å²	145.3	88%	0.879	78%	0.783	S	S	*	*			trans	-59.9	147.6	-175.3	-55.5	166.7	126.6	0	0	113.5
659	I	33.3	Very low	30.7	Very low	155 Å²	155	146.3 Å²	146.3	80%	0.795	79%	0.785	S	S	*	*			trans	-152.8	119.9	146.3	-96.8	140.1	0	0	0	108.4
660	E	32.7	Very low	30.9	Very low	168 Å²	168	147 Å²	147	79%	0.785	78%	0.775	S	S	*	*			trans	12.9	144.7	135.6	-50.9	169.4	168.4	0	0	117.7
661	E	32.8	Very low	30.8	Very low	170 Å²	170	148.9 Å²	148.9	79%	0.794	78%	0.776	S	S	*	*			cis	177.5	-174.2	-3.3	-108.7	-167.7	158.5	0	0	105.6
662	E	36.8	Very low	31	Very low	160 Å²	160	149.7 Å²	149.7	75%	0.748	78%	0.777	S	S	*	*			trans	73.7	138.8	161.2	-48.5	-153.1	139.4	0	0	122.9
663	N	33	Very low	31.1	Very low	146 Å²	146	149.9 Å²	149.9	78%	0.781	77%	0.77	S	S	*	*			trans	65.3	118.9	160.6	-50.8	-53.6	0	0	0	117.7
664	G	31.3	Very low	31.1	Very low	72 Å²	72	153.8 Å²	153.8	74%	0.742	78%	0.779	S	S	*	*			cis	108.3	131.4	16.9	0	0	0	0	0	110.5
665	L	30.6	Very low	30.9	Very low	165 Å²	165	154.9 Å²	154.9	86%	0.864	78%	0.777	S	S	*	*			cis	-137.4	154.1	4.9	-77.5	108	0	0	0	109.5
666	Y	25.1	Very low	31	Very low	204 Å²	204	154 Å²	154	80%	0.8	78%	0.777	S	S	*	*				40.8	125.5	90	-102.3	-94	0	0	0	113.9
667	L	29.7	Very low	30.8	Very low	148 Å²	148	152.9 Å²	152.9	78%	0.775	77%	0.771	S	S	*	*				-151.6	154.4	57.7	-105.9	160	0	0	0	114.5
668	Q	26.9	Very low	30.5	Very low	159 Å²	159	152.5 Å²	152.5	74%	0.743	77%	0.767	S	S	*	*			trans	-123.1	125.5	174.4	172	-173.4	-4.3	0	0	109.8
669	M	30.2	Very low	30.3	Very low	162 Å²	162	150.6 Å²	150.6	80%	0.798	76%	0.761	S	S	*	*			trans	-143.5	122.2	159.5	-74.4	-161.6	-82.8	0	0	107.4
670	N	33.3	Very low	30.2	Very low	120 Å²	120	149.5 Å²	149.5	64%	0.642	76%	0.761	S	S	*	*				61.9	95.9	71.6	-61.9	-7.1	0	0	0	109.7
671	N	27.7	Very low	30.1	Very low	140 Å²	140	149.7 Å²	149.7	75%	0.749	76%	0.762	S	S	*	*				88.5	106.7	86.7	-107.6	54.6	0	0	0	111.4
672	D	30.8	Very low	29.9	Very low	129 Å²	129	147.4 Å²	147.4	69%	0.69	76%	0.76	S	S	*	*				163.6	158.9	107	-81.2	-21.4	0	0	0	113
673	N	30	Very low	29.6	Very low	133 Å²	133	146 Å²	146	71%	0.711	76%	0.758	S	S	*	*			trans	74.6	127.3	154.8	-66.4	-9.5	0	0	0	123.6
674	E	33.2	Very low	29.6	Very low	162 Å²	162	147.3 Å²	147.3	76%	0.757	77%	0.765	S	S	*	*				72.2	76.6	129	-62.9	179	154.9	0	0	120.8	T676	E674-T676 PolarHBondContact O-N 2.96Å
675	K	29.1	Very low	29.6	Very low	187 Å²	187	150 Å²	150	81%	0.813	76%	0.761	S	S	*	*				-4.7	107.7	126	-177.2	-158.4	178.1	-169.9	0	116
676	T	29.7	Very low	29.5	Very low	113 Å²	113	148.9 Å²	148.9	69%	0.693	76%	0.756	S	S	*	*			trans	-132.3	118.2	152	56.2	0	0	0	0	110.4	E674	E674-T676 PolarHBondContact O-N 2.96Å
677	D	26.7	Very low	30	Very low	138 Å²	138	148.4 Å²	148.4	74%	0.738	76%	0.76	S	S	*	*			trans	-72	131.7	165.7	-58.3	-79.2	0	0	0	109
678	F	28.2	Very low	30.2	Very low	183 Å²	183	149.8 Å²	149.8	80%	0.803	77%	0.768	S	S	*	*			trans	-133.5	113.4	167.6	-106.5	-80.9	0	0	0	111.3
679	I	25.2	Very low	30.3	Very low	149 Å²	149	149 Å²	149	76%	0.764	76%	0.764	S	S	*	*			trans	-82.3	134.4	163.4	-61	167.4	0	0	0	106.6	E681	I679-E681 HydrophobicContact CG2-CG 4.04Å
680	V	31.2	Very low	30.4	Very low	131 Å²	131	149.8 Å²	149.8	79%	0.794	77%	0.771	S	S	*	*			trans	-125	110.6	164	-179.8	0	0	0	0	107
681	E	31.4	Very low	30.6	Very low	173 Å²	173	147.2 Å²	147.2	81%	0.808	77%	0.772	S	S	*	*			trans	-76.8	162.4	174.8	-67.3	-174.3	125.5	0	0	111.1	I679	I679-E681 HydrophobicContact CG2-CG 4.04Å
682	T	28.7	Very low	31	Very low	121 Å²	121	146 Å²	146	74%	0.742	77%	0.774	S	S	*	*			trans	-62	137.4	-178.8	51.3	0	0	0	0	112.6
683	N	29	Very low	31.3	Very low	132 Å²	132	149.3 Å²	149.3	71%	0.706	78%	0.777	S	S	*	*				174	119	111.1	-86.4	-38.6	0	0	0	111.5
684	D	33.2	Very low	31.5	Very low	173 Å²	173	149 Å²	149	93%	0.925	78%	0.775	S	S	*	*			trans	-153.1	116.3	140.6	-111.9	-30.8	0	0	0	108.8
685	I	31.9	Very low	31.8	Very low	129 Å²	129	147.7 Å²	147.7	66%	0.662	77%	0.773	S	S	*	*			trans	-113	142.8	-178.1	-59.5	176.7	0	0	0	107.4
686	N	29	Very low	32.1	Very low	141 Å²	141	144.9 Å²	144.9	75%	0.754	77%	0.767	S	S	*	*	S	Bend	trans	79.6	85.9	-178.7	-42.4	-69.6	0	0	0	116.1
687	Q	34.5	Very low	32.6	Very low	193 Å²	193	149.8 Å²	149.8	90%	0.902	77%	0.773	S	S	*	*	S	Bend	trans	-165.5	11.5	134.3	-114.9	170	114.9	0	0	118
688	L	33.5	Very low	33.1	Very low	178 Å²	178	150.2 Å²	150.2	93%	0.932	77%	0.771	S	S	*	*			trans	-122.2	37.2	177.2	-70.5	176	0	0	0	114.7	L690	L688-L690 PolarHBondContact O-N 3.32Å
689	E	29.9	Very low	33.5	Very low	143 Å²	143	150 Å²	150	67%	0.668	77%	0.774	S	S	*	*			trans	-74.1	95.2	151.6	-85.2	-151.8	102.8	0	0	109.2	R693	E689-R693 IonicContact OE1-CZ 2.8Å; E689-R693 IonicContact OE1-NH1 2.64Å; E689-R693 PolarHBondContact OE1-NH1 3.22Å; E689-R693 VanDerWaalsContact OE1-NH1 3.1Å; E689-R693 IonicContact OE1-NH2 2.96Å; E689-R693 PolarHBondContact OE1-NH2 3.39Å
690	L	33.2	Very low	33.9	Very low	178 Å²	178	149.2 Å²	149.2	93%	0.932	77%	0.772	S	S	*	*	S	Bend	trans	170.2	83.7	154.5	-95.6	160.7	0	0	0	109.6	L688	L688-L690 PolarHBondContact O-N 3.32Å
691	G	36.5	Very low	34.1	Very low	65 Å²	65	147.4 Å²	147.4	67%	0.67	77%	0.765	S	S	*	*	S	Bend	trans	-168.5	-60.4	176.3	0	0	0	0	0	114.3	R693	G691-R693 PolarHBondContact O-N 3.16Å
692	S	36.2	Very low	34.2	Very low	114 Å²	114	149.6 Å²	149.6	80%	0.797	77%	0.767	S	S	*	*	S	Bend	trans	-81.4	0.1	-162.7	-41.5	0	0	0	0	116.8	N694	S692-N694 VanDerWaalsContact C-N 3.27Å; S692-N694 PolarHBondContact O-N 3.31Å
693	R	36.7	Very low	34.5	Very low	199 Å²	199	152.9 Å²	152.9	75%	0.751	77%	0.771	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.8	19.1	-173.9	-69.3	-174.8	176.2	130.4	8.4	115.2	E689 G691	E689-R693 IonicContact OE1-CZ 2.8Å; E689-R693 IonicContact OE1-NH1 2.64Å; E689-R693 PolarHBondContact OE1-NH1 3.22Å; E689-R693 VanDerWaalsContact OE1-NH1 3.1Å; E689-R693 IonicContact OE1-NH2 2.96Å; E689-R693 PolarHBondContact OE1-NH2 3.39Å; G691-R693 PolarHBondContact O-N 3.16Å
694	N	35.5	Very low	34.8	Very low	126 Å²	126	155.5 Å²	155.5	67%	0.674	78%	0.779	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.3	-5	-168.7	-111.3	-6.5	0	0	0	116.9	S692	S692-N694 VanDerWaalsContact C-N 3.27Å; S692-N694 PolarHBondContact O-N 3.31Å
695	L	38.4	Very low	34.7	Very low	135 Å²	135	154.7 Å²	154.7	71%	0.707	77%	0.774	S	S	*	*	S	Bend	trans	-93.8	-38.5	179	-86.3	161.1	0	0	0	113.7	R697 Q698	L695-R697 PolarHBondContact O-N 2.76Å; L695-Q698 PolarHBondContact O-N 3.11Å
696	D	35.5	Very low	34.7	Very low	129 Å²	129	152.1 Å²	152.1	69%	0.69	78%	0.78	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.8	-9.9	-178.5	-60.6	-62.4	0	0	0	115	N700	D696-N700 PolarHBondContact O-ND2 2.94Å
697	R	39.3	Very low	35	Very low	216 Å²	216	153.5 Å²	153.5	82%	0.815	78%	0.782	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.3	-12.4	172.8	-79.6	-175.5	170.5	169.3	-1.4	114.7	L695	L695-R697 PolarHBondContact O-N 2.76Å
698	Q	38.7	Very low	34.8	Very low	147 Å²	147	151 Å²	151	69%	0.687	77%	0.773	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.1	-32.1	-179.2	-67	-170	-10.9	0	0	113.4	L695 N700	L695-Q698 PolarHBondContact O-N 3.11Å; Q698-N700 VanDerWaalsContact C-N 3.31Å; Q698-N700 PolarHBondContact O-N 3.31Å
699	M	35.1	Very low	34.9	Very low	177 Å²	177	150 Å²	150	87%	0.872	77%	0.769	S	S	*	*	G	3₁₀ helix	trans	-73.7	-15.2	177.1	-90.4	-165.6	164.3	0	0	115.2	S701	M699-S701 VanDerWaalsContact C-N 3.28Å; M699-S701 PolarHBondContact O-N 2.66Å
700	N	34.4	Very low	34.8	Very low	134 Å²	134	150.2 Å²	150.2	72%	0.717	77%	0.774	S	S	*	*	G	3₁₀ helix	trans	-83.1	5.3	178.2	-79.1	-62.4	0	0	0	114.5	D696 Q698 Y702	D696-N700 PolarHBondContact O-ND2 2.94Å; Q698-N700 VanDerWaalsContact C-N 3.31Å; Q698-N700 PolarHBondContact O-N 3.31Å; N700-Y702 PolarHBondContact O-N 3.45Å
701	S	35.5	Very low	34.9	Very low	93 Å²	93	147.9 Å²	147.9	65%	0.65	77%	0.768	S	S	*	*	G	3₁₀ helix	trans	-81.5	-6.5	-177.2	-165.9	0	0	0	0	115.4	M699	M699-S701 VanDerWaalsContact C-N 3.28Å; M699-S701 PolarHBondContact O-N 2.66Å
702	Y	33	Very low	34.7	Very low	219 Å²	219	150 Å²	150	86%	0.859	77%	0.768	S	S	*	*	G	3₁₀ helix	trans	-107.5	24.1	-172.8	-84.1	-81.6	0	0	0	114.9	N700	N700-Y702 PolarHBondContact O-N 3.45Å
703	K	36.5	Very low	34.3	Very low	190 Å²	190	151.5 Å²	151.5	83%	0.826	77%	0.765	S	S	*	*	S	Bend	trans	-136.8	40	176	-76.1	-167.8	176.3	177.8	0	115.5
704	H	34.4	Very low	34.2	Very low	187 Å²	187	152 Å²	152	87%	0.866	77%	0.773	S	S	*	*			trans	-168.7	98.5	153	-115.2	-80.4	0	0	0	112.1
705	N	31.4	Very low	34	Very low	155 Å²	155	150.5 Å²	150.5	83%	0.829	77%	0.772	S	S	*	*			trans	-167.4	135.7	150.3	-104.4	-27.4	0	0	0	110.5
706	G	31.4	Very low	33.9	Very low	76 Å²	76	152.2 Å²	152.2	78%	0.784	78%	0.782	S	S	*	*			trans	156.6	65.3	-167.5	0	0	0	0	0	109.3
707	Q	35.8	Very low	33.9	Very low	169 Å²	169	153.2 Å²	153.2	79%	0.79	78%	0.781	S	S	*	*			trans	-77.1	148	-161.5	-72.4	171.1	-70.6	0	0	114	N709	Q707-N709 PolarHBondContact O-N 3.26Å
708	I	30.7	Very low	33.8	Very low	142 Å²	142	149.5 Å²	149.5	73%	0.728	78%	0.782	S	S	*	*			trans	-56.8	124.5	173.2	-58.7	153.6	0	0	0	110.3
709	N	34.9	Very low	33.7	Very low	157 Å²	157	146.7 Å²	146.7	84%	0.84	77%	0.772	S	S	*	*			trans	-110.9	114.1	164.7	-81	-21.5	0	0	0	109.8	Q707	Q707-N709 PolarHBondContact O-N 3.26Å
710	N	28.2	Very low	33.5	Very low	146 Å²	146	146 Å²	146	78%	0.781	77%	0.77	S	S	*	*			trans	-97.3	113.8	-177	-83.9	-34.4	0	0	0	112.2
711	T	35.4	Very low	33.7	Very low	130 Å²	130	142.7 Å²	142.7	80%	0.798	77%	0.768	S	S	*	*			trans	-159.4	146.3	160.2	47.7	0	0	0	0	110.2
712	T	31.5	Very low	33.3	Very low	109 Å²	109	148.6 Å²	148.6	67%	0.669	78%	0.777	S	S	*	*			cis	-163.3	123.2	-15.1	-87	0	0	0	0	108.4
713	I	28.2	Very low	33.5	Very low	145 Å²	145	146.4 Å²	146.4	74%	0.744	78%	0.78	S	S	*	*			trans	39.5	113.3	153.1	-47.4	165.4	0	0	0	118.6
714	K	35.4	Very low	33.1	Very low	209 Å²	209	142.6 Å²	142.6	91%	0.909	77%	0.773	S	S	*	*				-163.3	127	115.3	-105.7	161.8	-164.8	174.1	0	113.7
715	S	31.1	Very low	33.3	Very low	95 Å²	95	143.2 Å²	143.2	66%	0.664	78%	0.776	S	S	*	*			trans	-74.2	155.3	-177.6	50.9	0	0	0	0	114.4
716	N	35.8	Very low	33.4	Very low	171 Å²	171	145.1 Å²	145.1	91%	0.914	78%	0.777	S	S	*	*				-146.2	153.4	123.2	-97.6	-27.1	0	0	0	110.3
717	K	35.8	Very low	33.6	Very low	151 Å²	151	146.8 Å²	146.8	66%	0.657	78%	0.777	S	S	*	*			trans	-155.3	127.6	-158.5	177.8	-149	177.4	-122.6	0	111.3	D719	K717-D719 WeakPolarHBondContact CE-OD1 3.21Å; K717-D719 VanDerWaalsContact NZ-CG 3.25Å; K717-D719 IonicContact NZ-OD1 2.71Å; K717-D719 PolarHBondContact NZ-OD1 2.86Å; K717-D719 IonicContact NZ-OD2 3.34Å; K717-D719 PolarHBondContact NZ-OD2 2.81Å
718	T	37.1	Very low	33.6	Very low	137 Å²	137	144.2 Å²	144.2	84%	0.84	77%	0.773	S	S	*	*			trans	-168.2	151.9	155.6	38.1	0	0	0	0	110.2
719	D	35.9	Very low	33.9	Very low	89 Å²	89	145 Å²	145	48%	0.476	78%	0.778	S	S	.	*			cis	-170.2	145.9	-48.6	-115.4	-26.2	0	0	0	108.9	K717	K717-D719 WeakPolarHBondContact CE-OD1 3.21Å; K717-D719 VanDerWaalsContact NZ-CG 3.25Å; K717-D719 IonicContact NZ-OD1 2.71Å; K717-D719 PolarHBondContact NZ-OD1 2.86Å; K717-D719 IonicContact NZ-OD2 3.34Å; K717-D719 PolarHBondContact NZ-OD2 2.81Å
720	I	30.9	Very low	33.9	Very low	161 Å²	161	144.3 Å²	144.3	83%	0.826	77%	0.774	S	S	*	*			trans	62.9	134.4	148.4	-58.5	164.9	0	0	0	118.2
721	G	39.4	Very low	34.2	Very low	65 Å²	65	142.7 Å²	142.7	67%	0.67	77%	0.771	S	S	*	*			cis	178.1	-173.2	0.2	0	0	0	0	0	115
722	Y	27.5	Very low	34.1	Very low	218 Å²	218	144.6 Å²	144.6	86%	0.855	78%	0.775	S	S	*	*			trans	-89.1	163.7	-175.7	-74.8	-103.5	0	0	0	113	T724	Y722-T724 HydrophobicContact CD1-CG2 4.45Å
723	N	35.7	Very low	34.2	Very low	172 Å²	172	147 Å²	147	92%	0.92	78%	0.783	S	S	*	*			trans	-133.4	144.5	142	-100.4	-33.2	0	0	0	109.7
724	T	29.6	Very low	34.7	Very low	110 Å²	110	149.2 Å²	149.2	68%	0.675	81%	0.807	S	S	*	*			trans	-138.9	132.9	-173.5	55.2	0	0	0	0	110.6	Y722	Y722-T724 HydrophobicContact CD1-CG2 4.45Å
725	E	38	Very low	34.6	Very low	201 Å²	201	146.3 Å²	146.3	94%	0.939	80%	0.802	S	S	*	*			trans	-132.1	157.9	160.3	-69.4	-157.8	151.2	0	0	111.1
726	K	33.1	Very low	34.8	Very low	194 Å²	194	148.9 Å²	148.9	84%	0.843	81%	0.809	S	S	*	*			trans	-120.3	141.8	-166.9	-61.9	172.8	178.9	174.2	0	111.4
727	S	36.7	Very low	34.8	Very low	111 Å²	111	147.7 Å²	147.7	78%	0.776	80%	0.803	S	S	*	*			trans	-170.1	93.6	149.1	-79.9	0	0	0	0	108.4
728	T	35.9	Very low	34.7	Very low	116 Å²	116	147.5 Å²	147.5	71%	0.712	81%	0.812	S	S	*	*				80.1	115.2	88.1	53.9	0	0	0	0	115.6
729	L	35.4	Very low	34.5	Very low	159 Å²	159	148.2 Å²	148.2	83%	0.832	81%	0.81	S	S	*	*			trans	70.5	138.4	160.8	-52.2	167.1	0	0	0	115.2
730	N	34.5	Very low	34.5	Very low	141 Å²	141	152.1 Å²	152.1	75%	0.754	83%	0.832	S	S	*	*			cis	-142.9	164.8	4.6	-101.2	-27.2	0	0	0	111.5
731	P	36	Very low	34.7	Very low	112 Å²	112	151.5 Å²	151.5	73%	0.727	83%	0.833	S	S	*	*			trans	-101.6	144.4	-173.9	37.4	-32.2	0	0	0	115
732	I	31.9	Very low	34.3	Very low	171 Å²	171	158.2 Å²	158.2	88%	0.877	85%	0.845	S	S	*	*			trans	-142.9	131.6	149.3	-57.2	-177.9	0	0	0	107.2
733	L	34.9	Very low	34.9	Very low	159 Å²	159	153.2 Å²	153.2	83%	0.832	85%	0.845	S	S	*	*			trans	-151.2	137.9	172.9	-105.6	168.5	0	0	0	108.4
734	P	37.4	Very low	34.8	Very low	192 Å²	192	151.5 Å²	151.5	100%	1.247	84%	0.838	S	S	*	*			trans	-69.1	0	151.7	-9.6	27.8	0	0	0	111.1

Retrieved 734 of 734 residues in 501.1 ms (Link to these results)

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