A0A077Z3J9_TRITR Loading...

C2H2-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A077Z3J9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 724 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	40.6	Very low	38.8	Very low	238 Å²	238	145.5 Å²	145.5	100%	1.172	85%	0.852	S	S	*	*				0	98.6	0	-62	168.1	-178	0	0	105.3
2	A	34.4	Very low	38.8	Very low	93 Å²	93	139 Å²	139	77%	0.769	84%	0.84	S	S	*	*				66.4	101.9	81.9	0	0	0	0	0	109.8
3	A	34.5	Very low	38.5	Very low	95 Å²	95	138.6 Å²	138.6	79%	0.785	85%	0.845	S	S	*	*				74.6	142.7	84.7	0	0	0	0	0	111.4
4	T	38.8	Very low	38.9	Very low	143 Å²	143	136.8 Å²	136.8	88%	0.877	84%	0.837	S	S	*	*			cis	-144.5	-179.8	40.2	44.7	0	0	0	0	113.9
5	A	38.1	Very low	38.8	Very low	104 Å²	104	139.6 Å²	139.6	86%	0.86	83%	0.828	S	S	*	*			trans	-100.1	172.5	178.2	0	0	0	0	0	113.3
6	G	46.5	Very low	38.9	Very low	80 Å²	80	139.7 Å²	139.7	83%	0.825	83%	0.83	S	S	*	*			trans	-144.8	133.8	168.3	0	0	0	0	0	111.4
7	S	36	Very low	38.7	Very low	116 Å²	116	138.6 Å²	138.6	81%	0.811	82%	0.819	S	S	*	*			trans	-138.3	157.1	-171.4	53.7	0	0	0	0	112.3
8	R	42.7	Very low	38.9	Very low	251 Å²	251	137.1 Å²	137.1	95%	0.947	81%	0.814	S	S	*	*			trans	-146.5	158.6	164.9	-90	-174.1	175.7	178.3	-2.5	110.1
9	Q	37.8	Very low	38.8	Very low	175 Å²	175	134.7 Å²	134.7	82%	0.818	81%	0.812	S	S	*	*			trans	-127.3	-167.8	-162.1	-61.9	173.7	-70.5	0	0	112.5
10	N	38.4	Very low	38.5	Very low	130 Å²	130	135.5 Å²	135.5	70%	0.695	81%	0.809	S	S	*	*			trans	82.6	130.8	162.4	-72.1	48.9	0	0	0	116.8
11	E	39.5	Very low	38.3	Very low	175 Å²	175	138.9 Å²	138.9	82%	0.818	81%	0.814	S	S	*	*			cis	-152.6	172.6	-9	-48.3	-167.9	-171.8	0	0	108.4
12	G	38.6	Very low	37.9	Very low	68 Å²	68	133.9 Å²	133.9	70%	0.701	80%	0.797	S	S	*	*			cis	143.2	100.4	-9.3	0	0	0	0	0	114.5
13	C	34.8	Very low	38.1	Very low	134 Å²	134	132.4 Å²	132.4	91%	0.905	79%	0.791	S	S	*	*			trans	-157.9	155.4	166.4	-102.3	0	0	0	0	113.6
14	P	44.2	Very low	38.2	Very low	113 Å²	113	136.6 Å²	136.6	73%	0.734	79%	0.794	S	S	*	*			trans	-143.1	175.8	-150.1	44.1	-24.8	0	0	0	119.7
15	Y	36.7	Very low	38.1	Very low	179 Å²	179	137.7 Å²	137.7	70%	0.702	79%	0.789	S	S	*	*			trans	79.7	116.2	140	-125.1	-98.7	0	0	0	123.7	D17	Y15-D17 WeakPolarHBondContact CE1-OD2 3.49Å; Y15-D17 PolarHBondContact OH-OD2 3.26Å
16	T	41.1	Very low	37.9	Very low	141 Å²	141	139.6 Å²	139.6	87%	0.865	78%	0.784	S	S	*	*				-174.1	165.5	116.4	20.2	0	0	0	0	111.7
17	D	36	Very low	37.4	Very low	121 Å²	121	141.2 Å²	141.2	65%	0.647	78%	0.78	S	S	*	*			trans	-114.9	169.8	-148.4	-86	-51.2	0	0	0	118.4	Y15	Y15-D17 WeakPolarHBondContact CE1-OD2 3.49Å; Y15-D17 PolarHBondContact OH-OD2 3.26Å
18	P	41.7	Very low	37.2	Very low	112 Å²	112	142 Å²	142	73%	0.727	78%	0.78	S	S	*	*			trans	-114.7	-179.2	-177.3	43.3	-34.7	0	0	0	116.3
19	A	37.4	Very low	36.9	Very low	92 Å²	92	136.6 Å²	136.6	76%	0.76	77%	0.768	S	S	*	*			trans	-144.6	134.2	163.2	0	0	0	0	0	109
20	I	33.2	Very low	36.6	Very low	150 Å²	150	134.5 Å²	134.5	77%	0.769	77%	0.768	S	S	*	*			cis	86.1	112.3	46.3	-63.7	171.1	0	0	0	114.2
21	F	32.8	Very low	36.1	Very low	206 Å²	206	137.6 Å²	137.6	90%	0.904	78%	0.778	S	S	*	*			trans	-154.6	151.6	143.9	-136	-89.3	0	0	0	110.6
22	T	32.7	Very low	35.6	Very low	133 Å²	133	134.1 Å²	134.1	82%	0.816	78%	0.779	S	S	*	*			trans	-150.5	155.6	-170.1	48.9	0	0	0	0	114.6
23	G	37.6	Very low	35.3	Very low	62 Å²	62	135.3 Å²	135.3	64%	0.639	78%	0.782	S	S	*	*			trans	177.3	114	167.7	0	0	0	0	0	109.5
24	Q	38.1	Very low	35	Very low	183 Å²	183	135.3 Å²	135.3	86%	0.855	77%	0.773	S	S	*	*				74.1	129.9	81.8	-78.4	-178.4	-9	0	0	113.3
25	Q	36	Very low	34.4	Very low	166 Å²	166	138.6 Å²	138.6	78%	0.776	78%	0.779	S	S	*	*			cis	-160.3	157.4	0.1	-163.9	161	-42.5	0	0	112
26	L	33.6	Very low	34	Very low	144 Å²	144	133.5 Å²	133.5	75%	0.754	78%	0.781	S	S	*	*			trans	-91.2	167.4	173.5	-75.4	165.7	0	0	0	112.4
27	P	37.4	Very low	33.6	Very low	115 Å²	115	134.4 Å²	134.4	75%	0.747	78%	0.78	S	S	*	*				-142.8	166	101.2	38.7	-25.2	0	0	0	116.1
28	V	31.7	Very low	33.2	Very low	131 Å²	131	133.6 Å²	133.6	79%	0.794	78%	0.784	S	S	*	*			trans	-121.7	137.9	173.2	172	0	0	0	0	108.6
29	I	34.7	Very low	32.9	Very low	138 Å²	138	136.4 Å²	136.4	71%	0.708	79%	0.791	S	S	*	*			trans	-140.9	106.8	-178.7	-52.3	-176.1	0	0	0	113.4
30	T	31.6	Very low	32.3	Very low	131 Å²	131	136.9 Å²	136.9	80%	0.804	79%	0.789	S	S	*	*			trans	66.8	166.7	149.7	63.3	0	0	0	0	123.5
31	E	29.1	Very low	32.3	Very low	196 Å²	196	135.3 Å²	135.3	92%	0.916	79%	0.786	S	S	*	*			trans	-114	-174.9	-164.1	-57.1	168.5	112.4	0	0	112.8
32	A	28.7	Very low	32	Very low	102 Å²	102	131 Å²	131	84%	0.843	78%	0.778	S	S	*	*			trans	-53.3	148.1	-175.9	0	0	0	0	0	118.5
33	A	32	Very low	31.9	Very low	92 Å²	92	136.3 Å²	136.3	76%	0.76	78%	0.783	S	S	*	*				-169.6	142.8	122.7	0	0	0	0	0	113.9
34	N	29.3	Very low	31.3	Very low	134 Å²	134	138.8 Å²	138.8	72%	0.717	79%	0.79	S	S	*	*			trans	28	142.4	149.2	-74.2	30.9	0	0	0	125.8
35	E	31.1	Very low	31.1	Very low	182 Å²	182	136.9 Å²	136.9	85%	0.85	79%	0.791	S	S	*	*			trans	72	149.6	140.2	-70.9	162.6	-122.6	0	0	120.8
36	G	28.8	Very low	30.6	Very low	72 Å²	72	136.2 Å²	136.2	74%	0.742	79%	0.793	S	S	*	*			trans	130	87.1	161.2	0	0	0	0	0	117.7
37	D	31.4	Very low	30.4	Very low	160 Å²	160	135.9 Å²	135.9	86%	0.856	80%	0.801	S	S	*	*			trans	39.7	119.1	144.9	-59.6	-17.9	0	0	0	123.5
38	S	29.3	Very low	29.9	Very low	104 Å²	104	136.6 Å²	136.6	73%	0.727	80%	0.803	S	S	*	*			trans	-27.1	151.9	150.3	56.2	0	0	0	0	119.3
39	I	33.7	Very low	29.9	Very low	171 Å²	171	138.3 Å²	138.3	88%	0.877	81%	0.807	S	S	*	*				-141.1	144	125.7	-99.6	150.6	0	0	0	108.8
40	S	26.6	Very low	29.7	Very low	102 Å²	102	137.2 Å²	137.2	71%	0.713	80%	0.803	S	S	*	*			trans	-117	139.2	-175	58.6	0	0	0	0	112.5
41	T	31.2	Very low	29.8	Very low	117 Å²	117	137.8 Å²	137.8	72%	0.718	80%	0.796	S	S	*	*			trans	-136.8	109.9	156.4	-55.2	0	0	0	0	110.2
42	T	28.1	Very low	29.8	Very low	117 Å²	117	134.3 Å²	134.3	72%	0.718	78%	0.784	S	S	*	*			trans	-98.3	134.6	172.3	50.5	0	0	0	0	110.7
43	W	29.7	Very low	29.9	Very low	243 Å²	243	136.4 Å²	136.4	92%	0.92	79%	0.786	S	S	*	*			trans	-135.5	130.8	153.6	-71	-37.8	0	0	0	110.1
44	S	26	Very low	29.8	Very low	114 Å²	114	139.7 Å²	139.7	80%	0.797	79%	0.788	S	S	*	*			trans	-135.2	133.8	179	-53.4	0	0	0	0	109.2
45	T	33.2	Very low	29.6	Very low	143 Å²	143	137.8 Å²	137.8	88%	0.877	78%	0.784	S	S	*	*			trans	-136.5	107	171.8	35.5	0	0	0	0	110.7
46	N	26.4	Very low	29.7	Very low	153 Å²	153	137.8 Å²	137.8	82%	0.818	78%	0.781	S	S	*	*			trans	-81.9	146.6	162.7	-82.1	-43.8	0	0	0	109.6
47	C	28.1	Very low	29.7	Very low	136 Å²	136	143.1 Å²	143.1	92%	0.919	79%	0.786	S	S	*	*			trans	-148.3	129	156.2	-96.5	0	0	0	0	110.1
48	T	28	Very low	29.7	Very low	130 Å²	130	141 Å²	141	80%	0.798	78%	0.784	S	S	*	*			trans	-132	119.9	-175.9	-26.3	0	0	0	0	109.3
49	L	31.4	Very low	29.7	Very low	167 Å²	167	147.7 Å²	147.7	87%	0.874	79%	0.794	S	S	*	*			trans	-156.4	122.9	170.9	-145.8	75.2	0	0	0	107.7
50	N	30.7	Very low	29.3	Very low	115 Å²	115	143.5 Å²	143.5	62%	0.615	78%	0.784	S	S	*	*			cis	120.5	107.5	7.1	-173.4	53.2	0	0	0	111.4
51	Q	33.1	Very low	29.4	Very low	143 Å²	143	146.8 Å²	146.8	67%	0.668	79%	0.794	S	S	*	*			trans	84.6	137.3	146.1	-94.5	174.4	64	0	0	124
52	N	28.4	Very low	29.2	Very low	124 Å²	124	147.3 Å²	147.3	66%	0.663	80%	0.798	S	S	*	*			trans	74.7	120.6	144.4	-58.4	-25.5	0	0	0	121.2
53	V	32.3	Very low	29.2	Very low	145 Å²	145	152.5 Å²	152.5	88%	0.879	81%	0.806	S	S	*	*				-152.7	150.8	102.9	152.5	0	0	0	0	108.6
54	M	28.6	Very low	29	Very low	162 Å²	162	146.9 Å²	146.9	80%	0.798	80%	0.798	S	S	*	*			trans	-114.8	162.8	-177.8	-63.9	169.1	58.4	0	0	113.5
55	C	26.1	Very low	29	Very low	93 Å²	93	146.9 Å²	146.9	63%	0.628	80%	0.796	S	S	*	*				129.6	151.9	114.9	-155.4	0	0	0	0	117.5
56	K	32.2	Very low	28.8	Very low	182 Å²	182	144 Å²	144	79%	0.791	79%	0.786	S	S	*	*			trans	79.2	106.1	170.4	-53.3	178.2	-176	175.2	0	115.1
57	Q	29.3	Very low	28.7	Very low	184 Å²	184	145.7 Å²	145.7	86%	0.86	79%	0.794	S	S	*	*			cis	77.6	100.6	38.9	-58.6	-175.2	-33.4	0	0	116.9
58	S	32	Very low	28.8	Very low	116 Å²	116	144.5 Å²	144.5	81%	0.811	78%	0.783	S	S	*	*			trans	-166.1	120.8	131.9	39.3	0	0	0	0	108.3
59	R	27.8	Very low	28.7	Very low	244 Å²	244	147 Å²	147	92%	0.921	78%	0.783	S	S	*	*				50.6	95.7	99.5	-96.1	-175.6	163.1	127.7	-2.1	112.2
60	A	26.8	Very low	28.4	Very low	83 Å²	83	145.9 Å²	145.9	69%	0.686	78%	0.776	S	S	*	*				88.1	126	65.6	0	0	0	0	0	113
61	D	28.6	Very low	28.2	Very low	171 Å²	171	147 Å²	147	91%	0.914	78%	0.778	S	S	*	*				-164.6	155.8	125.3	-99.3	-23.8	0	0	0	111.4
62	T	27.3	Very low	28	Very low	129 Å²	129	144.9 Å²	144.9	79%	0.791	78%	0.779	S	S	*	*			trans	-95	124.9	-172.1	-58.9	0	0	0	0	111.7
63	Y	27.7	Very low	28.2	Very low	226 Å²	226	144.5 Å²	144.5	89%	0.886	78%	0.783	S	S	*	*			trans	-151.2	142.8	157.9	-116.3	-79.6	0	0	0	113.3
64	T	24.3	Very low	28	Very low	124 Å²	124	148.8 Å²	148.8	76%	0.761	79%	0.785	S	S	*	*			trans	-99.2	140.8	178.2	44.3	0	0	0	0	112.5
65	P	26.7	Very low	27.9	Very low	115 Å²	115	148.7 Å²	148.7	75%	0.747	79%	0.788	S	S	*	*			trans	-112.6	128.9	142	-0.6	21.7	0	0	0	108.9
66	A	28.9	Very low	28.2	Very low	83 Å²	83	147.6 Å²	147.6	69%	0.686	79%	0.792	S	S	*	*				68.5	116.2	69.2	0	0	0	0	0	112.7	T68	A66-T68 PolarHBondContact O-N 3.44Å
67	L	24.5	Very low	27.9	Very low	187 Å²	187	145.1 Å²	145.1	98%	0.979	79%	0.793	S	S	*	*			trans	-63.8	116.1	177.2	-84.4	96	0	0	0	111
68	T	29.9	Very low	27.8	Very low	111 Å²	111	143.4 Å²	143.4	68%	0.681	79%	0.788	S	S	*	*			trans	-125	131	163.6	47.4	0	0	0	0	110.1	A66	A66-T68 PolarHBondContact O-N 3.44Å
69	K	25.1	Very low	27.4	Very low	183 Å²	183	142.5 Å²	142.5	80%	0.796	78%	0.781	S	S	*	*			trans	-80.8	118.5	174.3	-176.5	-168.7	175.7	-145.5	0	107.7	E71	K69-E71 IonicContact NZ-OE1 2.85Å; K69-E71 PolarHBondContact NZ-OE1 3.14Å
70	I	26.8	Very low	27.4	Very low	144 Å²	144	136.9 Å²	136.9	74%	0.738	77%	0.774	S	S	*	*			trans	-127.5	140.4	-178.6	-58.9	-179.8	0	0	0	108.9
71	E	24.8	Very low	27.3	Very low	138 Å²	138	141.4 Å²	141.4	65%	0.645	78%	0.781	S	S	*	*			trans	-120.2	132.3	-168	-64.1	174	161.2	0	0	111.3	K69	K69-E71 IonicContact NZ-OE1 2.85Å; K69-E71 PolarHBondContact NZ-OE1 3.14Å
72	S	29.3	Very low	27.4	Very low	99 Å²	99	138.8 Å²	138.8	69%	0.692	77%	0.774	S	S	*	*			trans	64	175.1	170.4	75.3	0	0	0	0	115.9
73	P	33.1	Very low	27.5	Very low	116 Å²	116	137.8 Å²	137.8	75%	0.753	78%	0.779	S	S	*	*				-134.7	133.1	72.9	36.1	-20.8	0	0	0	115.6
74	Y	28.8	Very low	27.6	Very low	234 Å²	234	132.4 Å²	132.4	92%	0.918	77%	0.774	S	S	*	*			trans	-146.8	109.4	132	-123.7	-81.8	0	0	0	107.4
75	N	26.8	Very low	28.2	Very low	160 Å²	160	132.2 Å²	132.2	86%	0.856	78%	0.775	S	S	*	*			trans	-149.8	121.3	-177.2	-145.3	-7.7	0	0	0	107.8
76	G	32	Very low	28.2	Very low	70 Å²	70	132.1 Å²	132.1	72%	0.722	78%	0.777	S	S	*	*			trans	-136.8	147.2	-171.8	0	0	0	0	0	110.9
77	T	26.5	Very low	28.2	Very low	131 Å²	131	133.9 Å²	133.9	80%	0.804	78%	0.784	S	S	*	*			trans	-113	152	-149.8	13	0	0	0	0	116
78	I	26.5	Very low	28.5	Very low	147 Å²	147	130 Å²	130	75%	0.754	78%	0.779	S	S	*	*			trans	82.1	100.7	143.7	-70.6	164.9	0	0	0	118.9
79	S	23.6	Very low	28.3	Very low	97 Å²	97	128.5 Å²	128.5	68%	0.678	79%	0.786	S	S	*	*				82.3	132.6	123.6	-62.2	0	0	0	0	125.3
80	T	26.7	Very low	28.5	Very low	126 Å²	126	127 Å²	127	77%	0.773	78%	0.781	S	S	*	*			trans	84.6	119.2	136.8	41.1	0	0	0	0	123.3
81	E	25.2	Very low	28.7	Very low	179 Å²	179	130.2 Å²	130.2	84%	0.836	78%	0.784	S	S	*	*			trans	77.7	149	146.3	-61.3	-72.1	92.4	0	0	119.9
82	P	31.2	Very low	28.8	Very low	116 Å²	116	131.8 Å²	131.8	75%	0.753	80%	0.797	S	S	*	*			trans	-121.7	147.7	-158.2	38.6	-23.2	0	0	0	116
83	A	30	Very low	28.9	Very low	108 Å²	108	134.4 Å²	134.4	89%	0.893	80%	0.803	S	S	*	*			trans	-148.7	147.6	161.6	0	0	0	0	0	111.5
84	S	30	Very low	28.9	Very low	113 Å²	113	137.1 Å²	137.1	79%	0.79	80%	0.803	S	S	*	*			trans	-134.2	179.8	-175.9	59.4	0	0	0	0	109.8
85	P	35.7	Very low	29	Very low	120 Å²	120	133.7 Å²	133.7	78%	0.779	80%	0.801	S	S	*	*				-134.2	159.2	-55.2	36.9	-22.9	0	0	0	112.9
86	S	28.1	Very low	29.2	Very low	112 Å²	112	131.4 Å²	131.4	78%	0.783	79%	0.788	S	S	*	*			trans	-167.7	130.4	154.5	49.9	0	0	0	0	116
87	S	28.1	Very low	29	Very low	121 Å²	121	130.8 Å²	130.8	85%	0.846	78%	0.782	S	S	*	*			trans	17.6	105.6	148.8	59.2	0	0	0	0	121.2
88	A	30.2	Very low	29.1	Very low	105 Å²	105	131.8 Å²	131.8	87%	0.868	78%	0.783	S	S	*	*			trans	-148	145.8	140.8	0	0	0	0	0	108.1
89	G	26.2	Very low	29.4	Very low	80 Å²	80	129.7 Å²	129.7	83%	0.825	78%	0.777	S	S	*	*			trans	-99	138.2	-172	0	0	0	0	0	113.6
90	E	29.3	Very low	30.1	Very low	150 Å²	150	130.3 Å²	130.3	70%	0.701	77%	0.767	S	S	*	*			trans	-132.1	107.4	170.3	-68	-150.4	83.6	0	0	112.5
91	R	30.8	Very low	30.5	Very low	213 Å²	213	127.9 Å²	127.9	80%	0.804	76%	0.756	S	S	*	*			trans	48.6	94.3	137.8	-63.1	177.7	-99.1	-150.3	-2.9	117.5
92	D	27	Very low	31.3	Very low	170 Å²	170	123.9 Å²	123.9	91%	0.909	74%	0.736	S	S	*	*			trans	-58.6	133.6	153.4	-61.4	-74.1	0	0	0	110.3
93	D	32.3	Very low	32.1	Very low	154 Å²	154	119.6 Å²	119.6	82%	0.824	71%	0.711	S	S	*	*			trans	-93.2	155	-171.1	-151.7	-10.9	0	0	0	113	D95	D93-D95 PolarHBondContact O-N 3.32Å; D93-D95 VanDerWaalsContact O-N 3.15Å
94	F	31.7	Very low	33.1	Very low	173 Å²	173	119.5 Å²	119.5	76%	0.759	69%	0.694	S	S	*	*			trans	-70.5	104.6	-160.7	-91.3	-111.1	0	0	0	114.8	L96	F94-L96 HydrophobicContact CB-CD1 4.35Å; F94-L96 HydrophobicContact CB-CG 4.37Å; F94-L96 HydrophobicContact CD1-CG 4.39Å; F94-L96 PolarHBondContact O-N 3.03Å
95	D	30.5	Very low	34.6	Very low	163 Å²	163	114.2 Å²	114.2	87%	0.872	66%	0.657	S	S	*	*			trans	-77.1	69.9	170.7	-157.4	-0.3	0	0	0	112.1	D93 G97	D93-D95 PolarHBondContact O-N 3.32Å; D93-D95 VanDerWaalsContact O-N 3.15Å; D95-G97 VanDerWaalsContact C-N 3.3Å; D95-G97 PolarHBondContact O-N 3.03Å
96	L	31.4	Very low	35.5	Very low	111 Å²	111	109.6 Å²	109.6	58%	0.581	63%	0.631	S	S	*	*			trans	-69.3	79.4	-179.4	-89.4	162	0	0	0	111.9	F94 K100	F94-L96 HydrophobicContact CB-CD1 4.35Å; F94-L96 HydrophobicContact CB-CG 4.37Å; F94-L96 HydrophobicContact CD1-CG 4.39Å; F94-L96 PolarHBondContact O-N 3.03Å; L96-K100 WeakPolarHBondContact O-CD 3.33Å; L96-K100 WeakPolarHBondContact O-CE 3.24Å; L96-K100 PolarHBondContact O-NZ 3.4Å
97	G	28.7	Very low	37	Very low	58 Å²	58	109.9 Å²	109.9	60%	0.598	62%	0.615	S	S	*	*			trans	-87	144	-179.6	0	0	0	0	0	115.9	D95	D95-G97 VanDerWaalsContact C-N 3.3Å; D95-G97 PolarHBondContact O-N 3.03Å
98	N	28.9	Very low	38.7	Very low	152 Å²	152	105.6 Å²	105.6	81%	0.813	58%	0.583	S	S	*	*	S	Bend	trans	78.9	21.1	146.4	-135.5	51.7	0	0	0	122.5
99	T	32.9	Very low	40.2	Very low	102 Å²	102	100.9 Å²	100.9	63%	0.626	55%	0.545	S	S	*	.			trans	-127.2	12.3	154	53.5	0	0	0	0	113.5	S101	T99-S101 PolarHBondContact O-N 3.05Å; T99-S101 VanDerWaalsContact O-N 3.08Å
100	K	36.7	Very low	42.1	Very low	111 Å²	111	99.4 Å²	99.4	48%	0.483	51%	0.514	S	S	.	.			trans	-80.1	90.1	-168.1	-71.5	-172.4	168	159	0	114	L96 H102	L96-K100 WeakPolarHBondContact O-CD 3.33Å; L96-K100 WeakPolarHBondContact O-CE 3.24Å; L96-K100 PolarHBondContact O-NZ 3.4Å; K100-H102 VanDerWaalsContact CB-CD2 3.44Å; K100-H102 WeakPolarHBondContact CB-CD2 3.38Å; K100-H102 WeakPolarHBondContact CG-NE2 3.38Å; K100-H102 PolarHBondContact O-N 2.86Å
101	S	35.8	Very low	43.8	Very low	75 Å²	75	92.4 Å²	92.4	52%	0.524	48%	0.482	S	S	.	.			trans	-76.6	47.7	161.4	51.3	0	0	0	0	112.3	T99 A103	T99-S101 PolarHBondContact O-N 3.05Å; T99-S101 VanDerWaalsContact O-N 3.08Å; S101-A103 PolarHBondContact O-N 3.08Å
102	H	42.5	Very low	45.1	Very low	94 Å²	94	83 Å²	83	44%	0.435	45%	0.449	S	S	.	.			trans	-77.9	88.7	-177.8	-76.1	-141.2	0	0	0	110.9	K100 I104	K100-H102 VanDerWaalsContact CB-CD2 3.44Å; K100-H102 WeakPolarHBondContact CB-CD2 3.38Å; K100-H102 WeakPolarHBondContact CG-NE2 3.38Å; K100-H102 PolarHBondContact O-N 2.86Å; H102-I104 PolarHBondContact O-N 3.46Å
103	A	47.8	Very low	46.6	Very low	27 Å²	27	80.8 Å²	80.8	22%	0.223	44%	0.437	C	S	.	.			trans	-70.9	108	154.8	0	0	0	0	0	107.8	S101 L105 R220	S101-A103 PolarHBondContact O-N 3.08Å; A103-L105 PolarHBondContact O-N 3.03Å; A103-R220 HydrophobicContact CB-CB 4.19Å; A103-R220 PolarHBondContact O-N 3.38Å
104	I	51.6	Low	48.1	Very low	105 Å²	105	75.3 Å²	75.3	54%	0.538	41%	0.411	S	S	.	.	B	Isolated β-bridge	trans	-72.5	126.3	178.5	-61.4	174.7	0	0	0	108.2	H102 G106	H102-I104 PolarHBondContact O-N 3.46Å; I104-G106 PolarHBondContact O-N 3.35Å; I104-G106 VanDerWaalsContact O-N 3.08Å
105	L	59.8	Low	50	Low	2 Å²	2	73.2 Å²	73.2	1%	0.01	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	100.4	173.9	-59.4	179.5	0	0	0	108.3	A103 V119 E121 L213 L215 K218 R220	A103-L105 PolarHBondContact O-N 3.03Å; L105-V119 HydrophobicContact CD1-CG1 4.31Å; L105-V119 HydrophobicContact CD2-CG1 3.88Å; L105-V119 HydrophobicContact CG-CG1 4.49Å; L105-E121 HydrophobicContact CD2-CB 4.41Å; L105-E121 HydrophobicContact CD2-CG 4.47Å; L105-L213 HydrophobicContact CD1-CD2 3.8Å; L105-L213 HydrophobicContact CD2-CD2 3.82Å; L105-L213 HydrophobicContact CG-CD2 4.43Å; L105-L215 HydrophobicContact CD1-CD2 3.53Å; L105-K218 HydrophobicContact CB-CB 4.34Å; L105-K218 WeakPolarHBondContact CB-O 3.43Å; L105-K218 PolarHBondContact N-O 3.49Å; L105-K218 VanDerWaalsContact N-O 3.14Å; L105-R220 HydrophobicContact CD2-CB 4.14Å
106	G	56.1	Low	52.1	Low	23 Å²	23	65.6 Å²	65.6	24%	0.237	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	-41.1	-162.7	0	0	0	0	0	113.8	I104 F120	I104-G106 PolarHBondContact O-N 3.35Å; I104-G106 VanDerWaalsContact O-N 3.08Å; G106-F120 PolarHBondContact N-O 3.15Å
107	W	57.9	Low	54.2	Low	118 Å²	118	60.3 Å²	60.3	45%	0.447	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	141.7	171.9	-96.9	68.6	0	0	0	111	F120 A140 A143	W107-F120 HydrophobicContact CB-CB 4Å; W107-F120 HydrophobicContact CB-CD2 3.85Å; W107-F120 HydrophobicContact CB-CG 4.2Å; W107-F120 PolarHBondContact N-O 3.24Å; W107-F120 PolarHBondContact O-N 2.97Å; W107-A140 HydrophobicContact CZ2-CB 3.7Å; W107-A140 VanDerWaalsContact NE1-CB 3.34Å; W107-A143 HydrophobicContact CB-CB 4.26Å; W107-A143 HydrophobicContact CG-CB 4.38Å
108	I	64.4	Low	56.5	Low	31 Å²	31	57.7 Å²	57.7	16%	0.159	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	123.4	170.9	-56.9	167.1	0	0	0	107.2	Y110 Y118 L215 K218	I108-Y110 HydrophobicContact CG2-CE1 4.18Å; I108-Y110 HydrophobicContact CG2-CE2 3.95Å; I108-Y118 CarbonylContact C-O 3.5Å; I108-Y118 VanDerWaalsContact CA-O 3.25Å; I108-Y118 WeakPolarHBondContact CA-O 3.41Å; I108-L215 HydrophobicContact CD1-CB 4.11Å; I108-L215 HydrophobicContact CD1-CD2 3.75Å; I108-L215 HydrophobicContact CD1-CG 4.46Å; I108-L215 HydrophobicContact CG1-CD2 4.23Å; I108-K218 HydrophobicContact CD1-CD 4.41Å; I108-K218 HydrophobicContact CD1-CG 3.91Å
109	G	62.6	Low	58.8	Low	7 Å²	7	50.5 Å²	50.5	7%	0.072	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	156.2	174.7	0	0	0	0	0	111.1	Y118	G109-Y118 PolarHBondContact N-O 2.93Å; G109-Y118 PolarHBondContact O-N 2.67Å
110	Y	65.7	Low	60.8	Low	48 Å²	48	45.6 Å²	45.6	19%	0.188	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	139	173	-56.6	-78.2	0	0	0	108.2	I108 A117 P156 I160 L256 F259	I108-Y110 HydrophobicContact CG2-CE1 4.18Å; I108-Y110 HydrophobicContact CG2-CE2 3.95Å; Y110-A117 HydrophobicContact CD1-CB 4.01Å; Y110-A117 HydrophobicContact CE1-CB 4.11Å; Y110-P156 HydrophobicContact CD1-CG 4.34Å; Y110-P156 HydrophobicContact CG-CG 4.14Å; Y110-I160 HydrophobicContact CD1-CD1 3.69Å; Y110-I160 HydrophobicContact CD1-CG1 4.46Å; Y110-I160 HydrophobicContact CE1-CD1 3.61Å; Y110-L256 HydrophobicContact CE1-CD2 3.98Å; Y110-F259 HydrophobicContact CE1-CE2 4.32Å; Y110-F259 HydrophobicContact CE1-CZ 4.31Å; Y110-F259 HydrophobicContact CE2-CZ 4.35Å
111	N	65	Low	62.6	Low	4 Å²	4	40.6 Å²	40.6	2%	0.021	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	111.7	171.9	170	-5.8	0	0	0	108.3	D113 S114 R115 V116 Y118 T151	N111-D113 PolarHBondContact O-N 2.96Å; N111-D113 WeakPolarHBondContact OD1-CA 3.44Å; N111-D113 WeakPolarHBondContact OD1-CB 3.09Å; N111-D113 PolarHBondContact OD1-N 3.27Å; N111-S114 VanDerWaalsContact ND2-CB 3.35Å; N111-S114 WeakPolarHBondContact ND2-CB 3.34Å; N111-S114 PolarHBondContact ND2-OG 3.16Å; N111-S114 PolarHBondContact OD1-N 3.13Å; N111-S114 VanDerWaalsContact OD1-N 3.11Å; N111-R115 PolarHBondContact O-N 3.2Å; N111-R115 VanDerWaalsContact O-N 3.14Å; N111-V116 PolarHBondContact N-O 3.47Å; N111-Y118 HydrophobicContact CB-CE2 3.72Å; N111-T151 PolarHBondContact ND2-O 3.22Å; N111-T151 VanDerWaalsContact ND2-O 3.14Å; N111-T151 PolarHBondContact OD1-O 3Å
112	S	57	Low	64.1	Low	16 Å²	16	37.3 Å²	37.3	11%	0.112	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-36.3	177.8	43.3	0	0	0	0	113.2	S154	S112-S154 PolarHBondContact OG-N 2.87Å
113	D	60	Low	65.1	Low	122 Å²	122	35.4 Å²	35.4	65%	0.652	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-28.6	-165.3	-49	-6	0	0	0	110.6	N111	N111-D113 PolarHBondContact O-N 2.96Å; N111-D113 WeakPolarHBondContact OD1-CA 3.44Å; N111-D113 WeakPolarHBondContact OD1-CB 3.09Å; N111-D113 PolarHBondContact OD1-N 3.27Å
114	S	63.6	Low	65.6	Low	40 Å²	40	39 Å²	39	28%	0.28	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.6	-1.9	-178.1	-51.2	0	0	0	0	115.2	N111 V116	N111-S114 VanDerWaalsContact ND2-CB 3.35Å; N111-S114 WeakPolarHBondContact ND2-CB 3.34Å; N111-S114 PolarHBondContact ND2-OG 3.16Å; N111-S114 PolarHBondContact OD1-N 3.13Å; N111-S114 VanDerWaalsContact OD1-N 3.11Å; S114-V116 WeakPolarHBondContact O-CG2 3.41Å; S114-V116 PolarHBondContact O-N 2.86Å
115	R	71.1	Confident	65.4	Low	129 Å²	129	40.9 Å²	40.9	49%	0.487	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	56	28.3	-176.2	-56.9	-177.8	-175.5	-157.3	-0.2	114.3	N111 P159 I160 T161 Y162	N111-R115 PolarHBondContact O-N 3.2Å; N111-R115 VanDerWaalsContact O-N 3.14Å; R115-P159 WeakPolarHBondContact CB-O 3.48Å; R115-P159 WeakPolarHBondContact CD-O 3.3Å; R115-I160 WeakPolarHBondContact O-CA 3.49Å; R115-T161 HydrophobicContact CB-CG2 4.39Å; R115-T161 WeakPolarHBondContact CB-OG1 3.37Å; R115-T161 PolarHBondContact O-N 3.36Å; R115-Y162 PolarHBondContact O-N 2.79Å
116	V	74	Confident	64.5	Low	2 Å²	2	46.4 Å²	46.4	1%	0.012	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	128.5	-180	179.3	0	0	0	0	110.1	N111 S114 Y118 Y162 R164	N111-V116 PolarHBondContact N-O 3.47Å; S114-V116 WeakPolarHBondContact O-CG2 3.41Å; S114-V116 PolarHBondContact O-N 2.86Å; V116-Y118 HydrophobicContact CB-CE2 4.03Å; V116-Y118 HydrophobicContact CG1-CD1 4.11Å; V116-Y118 HydrophobicContact CG1-CD2 4.15Å; V116-Y118 HydrophobicContact CG1-CE1 3.81Å; V116-Y118 HydrophobicContact CG1-CE2 3.77Å; V116-Y118 HydrophobicContact CG1-CG 4.33Å; V116-Y162 WeakPolarHBondContact CA-O 3.43Å; V116-R164 HydrophobicContact CG1-CB 4.3Å; V116-R164 HydrophobicContact CG1-CG 3.88Å
117	A	76	Confident	63.7	Low	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	146.9	160.4	0	0	0	0	0	110.6	Y110 I160 Y162 L163 R164	Y110-A117 HydrophobicContact CD1-CB 4.01Å; Y110-A117 HydrophobicContact CE1-CB 4.11Å; A117-I160 HydrophobicContact CB-CD1 4.22Å; A117-I160 HydrophobicContact CB-CG2 3.63Å; A117-Y162 PolarHBondContact N-O 3.44Å; A117-L163 HydrophobicContact CB-CG 4.44Å; A117-L163 CarbonylContact O-C 3.59Å; A117-L163 WeakPolarHBondContact O-CA 3.43Å; A117-R164 PolarHBondContact O-N 3.24Å
118	Y	77	Confident	62.8	Low	4 Å²	4	48 Å²	48	2%	0.016	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	127.8	-177.6	-64	-83.7	0	0	0	109.6	I108 G109 N111 V116 L147 E150 I152 R164 W166	I108-Y118 CarbonylContact C-O 3.5Å; I108-Y118 VanDerWaalsContact CA-O 3.25Å; I108-Y118 WeakPolarHBondContact CA-O 3.41Å; G109-Y118 PolarHBondContact N-O 2.93Å; G109-Y118 PolarHBondContact O-N 2.67Å; N111-Y118 HydrophobicContact CB-CE2 3.72Å; V116-Y118 HydrophobicContact CB-CE2 4.03Å; V116-Y118 HydrophobicContact CG1-CD1 4.11Å; V116-Y118 HydrophobicContact CG1-CD2 4.15Å; V116-Y118 HydrophobicContact CG1-CE1 3.81Å; V116-Y118 HydrophobicContact CG1-CE2 3.77Å; V116-Y118 HydrophobicContact CG1-CG 4.33Å; Y118-L147 HydrophobicContact CD1-CD2 4.05Å; Y118-L147 HydrophobicContact CD2-CD2 4.38Å; Y118-L147 HydrophobicContact CE1-CD2 4.12Å; Y118-L147 HydrophobicContact CG-CD2 4.12Å; Y118-E150 WeakPolarHBondContact CE1-OE2 3.45Å; Y118-E150 VanDerWaalsContact CZ-OE2 3.29Å; Y118-E150 PolarHBondContact OH-OE2 3.28Å; Y118-I152 HydrophobicContact CD2-CD1 4.47Å; Y118-I152 HydrophobicContact CE2-CG1 4.5Å; Y118-R164 CarbonylContact C-O 3.5Å; Y118-R164 WeakPolarHBondContact CA-O 3.22Å; Y118-R164 HydrophobicContact CD1-CB 3.87Å; Y118-R164 HydrophobicContact CE1-CB 4.24Å; Y118-R164 HydrophobicContact CE1-CG 4.44Å; Y118-W166 HydrophobicContact CD1-CE3 4.38Å; Y118-W166 AromaticContact CD1-CH2 3.39Å; Y118-W166 HydrophobicContact CD1-CH2 3.39Å; Y118-W166 AromaticContact CD1-CZ3 3.28Å; Y118-W166 HydrophobicContact CD1-CZ3 3.28Å; Y118-W166 AromaticContact CE1-CH2 3.59Å; Y118-W166 HydrophobicContact CE1-CH2 3.59Å; Y118-W166 AromaticContact CE1-CZ3 3.99Å; Y118-W166 HydrophobicContact CE1-CZ3 3.99Å; Y118-W166 HydrophobicContact CG-CZ3 4.12Å
119	V	78.2	Confident	61.6	Low	0 Å²	0	56.6 Å²	56.6	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	117.7	-178.6	-178	0	0	0	0	109.8	L105 L163 R164 H165 W166 L213 L215	L105-V119 HydrophobicContact CD1-CG1 4.31Å; L105-V119 HydrophobicContact CD2-CG1 3.88Å; L105-V119 HydrophobicContact CG-CG1 4.49Å; V119-L163 HydrophobicContact CB-CD2 4.35Å; V119-L163 HydrophobicContact CG2-CD1 4.01Å; V119-L163 HydrophobicContact CG2-CD2 3.91Å; V119-L163 HydrophobicContact CG2-CG 4.02Å; V119-R164 PolarHBondContact N-O 2.89Å; V119-H165 WeakPolarHBondContact O-CA 3.23Å; V119-W166 PolarHBondContact O-N 3.42Å; V119-L213 HydrophobicContact CG1-CD1 4.5Å; V119-L215 HydrophobicContact CG1-CD2 4.45Å; V119-L215 HydrophobicContact CG2-CD1 4.04Å; V119-L215 HydrophobicContact CG2-CD2 3.88Å
120	F	74.5	Confident	60.5	Low	0 Å²	0	59.7 Å²	59.7	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	111.8	175.8	-64.9	-92.5	0	0	0	109.8	G106 W107 A143 T146 L147 W166 W168	G106-F120 PolarHBondContact N-O 3.15Å; W107-F120 HydrophobicContact CB-CB 4Å; W107-F120 HydrophobicContact CB-CD2 3.85Å; W107-F120 HydrophobicContact CB-CG 4.2Å; W107-F120 PolarHBondContact N-O 3.24Å; W107-F120 PolarHBondContact O-N 2.97Å; F120-A143 HydrophobicContact CD1-CB 3.78Å; F120-A143 HydrophobicContact CD2-CB 3.89Å; F120-A143 HydrophobicContact CE1-CB 3.7Å; F120-A143 HydrophobicContact CE2-CB 3.81Å; F120-A143 HydrophobicContact CG-CB 3.87Å; F120-A143 HydrophobicContact CZ-CB 3.7Å; F120-T146 HydrophobicContact CE1-CG2 4.2Å; F120-T146 HydrophobicContact CZ-CG2 4.48Å; F120-L147 HydrophobicContact CE2-CD1 3.73Å; F120-L147 HydrophobicContact CE2-CD2 4.37Å; F120-L147 HydrophobicContact CE2-CG 4.19Å; F120-L147 HydrophobicContact CZ-CD1 3.78Å; F120-L147 HydrophobicContact CZ-CD2 4.11Å; F120-L147 HydrophobicContact CZ-CG 3.8Å; F120-W166 HydrophobicContact CD1-CB 4.25Å; F120-W166 AromaticContact CD1-CE3 3.95Å; F120-W166 HydrophobicContact CD1-CE3 3.95Å; F120-W166 HydrophobicContact CD2-CE3 4.42Å; F120-W166 HydrophobicContact CE1-CB 4.45Å; F120-W166 HydrophobicContact CE1-CD2 4.04Å; F120-W166 AromaticContact CE1-CE3 3.28Å; F120-W166 HydrophobicContact CE1-CE3 3.28Å; F120-W166 AromaticContact CE1-CZ3 3.71Å; F120-W166 HydrophobicContact CE1-CZ3 3.71Å; F120-W166 AromaticContact CE2-CE3 3.84Å; F120-W166 HydrophobicContact CE2-CE3 3.84Å; F120-W166 AromaticContact CE2-CZ3 3.77Å; F120-W166 HydrophobicContact CE2-CZ3 3.77Å; F120-W166 HydrophobicContact CG-CE3 4.47Å; F120-W166 HydrophobicContact CZ-CD2 4.34Å; F120-W166 AromaticContact CZ-CE3 3.24Å; F120-W166 HydrophobicContact CZ-CE3 3.24Å; F120-W166 HydrophobicContact CZ-CH2 4.27Å; F120-W166 AromaticContact CZ-CZ3 3.17Å; F120-W166 HydrophobicContact CZ-CZ3 3.17Å; F120-W168 AromaticContact CD1-NE1 3.86Å
121	E	73.3	Confident	59	Low	5 Å²	5	61.3 Å²	61.3	2%	0.023	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	141.7	175.2	-174.2	-179.3	159.2	0	0	109.7	L105 H165 W166 K167 W168 R220	L105-E121 HydrophobicContact CD2-CB 4.41Å; L105-E121 HydrophobicContact CD2-CG 4.47Å; E121-H165 IonicContact OE2-CD2 2.73Å; E121-H165 IonicContact OE2-CE1 3.11Å; E121-H165 PolarHBondContact OE2-CE1 2.94Å; E121-H165 IonicContact OE2-NE2 2.9Å; E121-H165 PolarHBondContact OE2-NE2 2.84Å; E121-W166 PolarHBondContact N-O 3.48Å; E121-K167 WeakPolarHBondContact O-CA 3.49Å; E121-W168 PolarHBondContact O-N 2.87Å; E121-R220 VanDerWaalsContact CD-NH1 3.29Å; E121-R220 VanDerWaalsContact OE1-CD 3.31Å; E121-R220 WeakPolarHBondContact OE1-CD 3.37Å; E121-R220 IonicContact OE1-CZ 3.79Å; E121-R220 IonicContact OE1-NE 2.74Å; E121-R220 IonicContact OE1-NH1 2.72Å; E121-R220 PolarHBondContact OE1-NH1 2.82Å; E121-R220 WeakPolarHBondContact OE2-CD 3.32Å; E121-R220 IonicContact OE2-CZ 3.37Å; E121-R220 IonicContact OE2-NH1 2.81Å; E121-R220 PolarHBondContact OE2-NH1 3.44Å
122	C	67.9	Low	58.1	Low	7 Å²	7	64.9 Å²	64.9	5%	0.047	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	126.1	170.2	-176.2	0	0	0	0	110.4	E124 F135 L139 W168	C122-E124 PolarHBondContact O-N 3.44Å; C122-F135 HydrophobicContact CB-CE2 3.94Å; C122-F135 HydrophobicContact CB-CZ 4.05Å; C122-L139 HydrophobicContact CB-CD2 3.86Å; C122-W168 CarbonylContact C-O 3.6Å; C122-W168 WeakPolarHBondContact CA-O 3.36Å
123	C	64.3	Low	57.8	Low	54 Å²	54	66.4 Å²	66.4	37%	0.365	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	92.2	173.6	-61.2	0	0	0	0	110	K167 W168	C123-K167 WeakPolarHBondContact SG-CE 3.32Å; C123-W168 PolarHBondContact N-O 3.48Å
124	E	57.5	Low	57.7	Low	101 Å²	101	64.3 Å²	64.3	47%	0.472	39%	0.387	S	S	.	.			trans	-93.7	120.4	161.9	-67.9	-159.2	157.5	0	0	110.5	C122 S126 F135	C122-E124 PolarHBondContact O-N 3.44Å; E124-S126 PolarHBondContact O-N 2.86Å; E124-F135 HydrophobicContact CG-CE2 4.03Å; E124-F135 VanDerWaalsContact OE1-CD2 3.25Å; E124-F135 WeakPolarHBondContact OE1-CD2 3.41Å
125	D	46.5	Very low	57.3	Low	145 Å²	145	64.1 Å²	64.1	78%	0.775	38%	0.381	S	S	*	.			trans	-61.7	119.8	163.8	-84.2	-32.9	0	0	0	108.8	S127	D125-S127 PolarHBondContact O-N 3.1Å
126	S	41.7	Very low	56.6	Low	119 Å²	119	64.6 Å²	64.6	83%	0.832	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	19.7	-167.2	55.8	0	0	0	0	116.5	E124	E124-S126 PolarHBondContact O-N 2.86Å
127	S	39.9	Very low	56.1	Low	110 Å²	110	70.6 Å²	70.6	77%	0.769	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-11.6	177.2	69.6	0	0	0	0	114.9	D125	D125-S127 PolarHBondContact O-N 3.1Å
128	S	39.4	Very low	55.5	Low	63 Å²	63	72.2 Å²	72.2	44%	0.441	42%	0.424	S	S	.	.			trans	-105.8	62.5	-170.9	86.2	0	0	0	0	114.8	S130	S128-S130 PolarHBondContact O-N 3.01Å
129	K	38.5	Very low	54.9	Low	212 Å²	212	72.1 Å²	72.1	92%	0.922	42%	0.423	S	S	*	.			trans	-63	23	175.2	-73.1	-168	173.5	-173.3	0	116.1
130	S	39.1	Very low	54.2	Low	73 Å²	73	73.1 Å²	73.1	51%	0.51	43%	0.432	S	S	.	.	S	Bend	trans	-103.3	90.5	170.7	54.9	0	0	0	0	109.2	S128	S128-S130 PolarHBondContact O-N 3.01Å
131	G	34.7	Very low	53.9	Low	81 Å²	81	79 Å²	79	84%	0.835	46%	0.459	S	S	*	.			trans	-58.7	151.9	-167.1	0	0	0	0	0	115
132	N	45.4	Very low	53.5	Low	79 Å²	79	81.2 Å²	81.2	42%	0.422	47%	0.47	S	S	.	.			trans	-138.6	98.3	-168.6	-144.8	-1.9	0	0	0	109.9	N134 F135	N132-N134 PolarHBondContact O-N 2.9Å; N132-N134 WeakPolarHBondContact OD1-CB 3.38Å; N132-N134 PolarHBondContact OD1-ND2 2.83Å; N132-F135 HydrophobicContact CB-CB 4.42Å; N132-F135 VanDerWaalsContact O-CB 3.29Å; N132-F135 WeakPolarHBondContact O-CB 3.49Å; N132-F135 PolarHBondContact O-N 3.39Å
133	G	50.5	Low	53.3	Low	49 Å²	49	80.9 Å²	80.9	51%	0.505	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	8.5	167.9	0	0	0	0	0	113.9	K137	G133-K137 VanDerWaalsContact O-CD 3.23Å; G133-K137 WeakPolarHBondContact O-CD 3.25Å; G133-K137 WeakPolarHBondContact O-CE 3.21Å; G133-K137 PolarHBondContact O-NZ 2.93Å
134	N	58.1	Low	53.3	Low	78 Å²	78	81.1 Å²	81.1	42%	0.417	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97	-19.5	168.8	-52.4	-48.5	0	0	0	112	N132 K137 N138	N132-N134 PolarHBondContact O-N 2.9Å; N132-N134 WeakPolarHBondContact OD1-CB 3.38Å; N132-N134 PolarHBondContact OD1-ND2 2.83Å; N134-K137 PolarHBondContact O-N 3.04Å; N134-N138 VanDerWaalsContact O-CB 3.29Å; N134-N138 WeakPolarHBondContact O-CB 3.44Å; N134-N138 PolarHBondContact O-N 3.15Å; N134-N138 PolarHBondContact O-OD1 3.33Å
135	F	55.1	Low	53.8	Low	35 Å²	35	81.2 Å²	81.2	15%	0.154	48%	0.476	C	S	.	.	H	α-helix	trans	-57.7	-58.8	177.3	168.3	-97.2	0	0	0	110.9	C122 E124 N132 K137 N138 L139	C122-F135 HydrophobicContact CB-CE2 3.94Å; C122-F135 HydrophobicContact CB-CZ 4.05Å; E124-F135 HydrophobicContact CG-CE2 4.03Å; E124-F135 VanDerWaalsContact OE1-CD2 3.25Å; E124-F135 WeakPolarHBondContact OE1-CD2 3.41Å; N132-F135 HydrophobicContact CB-CB 4.42Å; N132-F135 VanDerWaalsContact O-CB 3.29Å; N132-F135 WeakPolarHBondContact O-CB 3.49Å; N132-F135 PolarHBondContact O-N 3.39Å; F135-K137 PolarHBondContact O-N 3.41Å; F135-N138 PolarHBondContact O-N 2.94Å; F135-L139 HydrophobicContact CE1-CD2 4.35Å; F135-L139 HydrophobicContact CE2-CD2 4.49Å; F135-L139 HydrophobicContact CZ-CD2 3.97Å; F135-L139 WeakPolarHBondContact O-CB 3.36Å; F135-L139 PolarHBondContact O-N 2.96Å
136	E	56.5	Low	54.6	Low	139 Å²	139	75.7 Å²	75.7	65%	0.65	45%	0.448	S	S	*	.	H	α-helix	trans	-60	-32.8	179.4	-61.5	-176.7	141.1	0	0	111.9	A140	E136-A140 WeakPolarHBondContact O-CA 3.22Å; E136-A140 WeakPolarHBondContact O-CB 3.13Å; E136-A140 PolarHBondContact O-N 2.63Å
137	K	63.6	Low	55.6	Low	128 Å²	128	71 Å²	71	56%	0.557	41%	0.413	S	S	*	.	H	α-helix	trans	-76.6	-42.9	-179.4	-64.3	177.4	-171.1	160.6	0	112.5	G133 N134 F135 A140 Q141	G133-K137 VanDerWaalsContact O-CD 3.23Å; G133-K137 WeakPolarHBondContact O-CD 3.25Å; G133-K137 WeakPolarHBondContact O-CE 3.21Å; G133-K137 PolarHBondContact O-NZ 2.93Å; N134-K137 PolarHBondContact O-N 3.04Å; F135-K137 PolarHBondContact O-N 3.41Å; K137-A140 PolarHBondContact O-N 3.12Å; K137-Q141 WeakPolarHBondContact O-CB 3.43Å; K137-Q141 VanDerWaalsContact O-CG 3.28Å; K137-Q141 WeakPolarHBondContact O-CG 3.24Å; K137-Q141 PolarHBondContact O-N 2.95Å
138	N	64.7	Low	56.3	Low	35 Å²	35	70.1 Å²	70.1	19%	0.187	41%	0.407	C	S	.	.	H	α-helix	trans	-67	-42.9	176.5	-69.2	-7.8	0	0	0	109.8	N134 F135 Q141 Q142 Y179	N134-N138 VanDerWaalsContact O-CB 3.29Å; N134-N138 WeakPolarHBondContact O-CB 3.44Å; N134-N138 PolarHBondContact O-N 3.15Å; N134-N138 PolarHBondContact O-OD1 3.33Å; F135-N138 PolarHBondContact O-N 2.94Å; N138-Q141 PolarHBondContact O-N 2.85Å; N138-Q142 WeakPolarHBondContact O-CG 3.31Å; N138-Q142 PolarHBondContact O-N 3.01Å; N138-Y179 HydrophobicContact CB-CE2 3.87Å
139	L	63.8	Low	57.2	Low	1 Å²	1	72.5 Å²	72.5	1%	0.005	42%	0.419	C	S	.	.	H	α-helix	trans	-69.7	-37.6	176.2	-171.6	55.8	0	0	0	112	C122 F135 Q141 Q142 A143	C122-L139 HydrophobicContact CB-CD2 3.86Å; F135-L139 HydrophobicContact CE1-CD2 4.35Å; F135-L139 HydrophobicContact CE2-CD2 4.49Å; F135-L139 HydrophobicContact CZ-CD2 3.97Å; F135-L139 WeakPolarHBondContact O-CB 3.36Å; F135-L139 PolarHBondContact O-N 2.96Å; L139-Q141 VanDerWaalsContact C-N 3.29Å; L139-Q141 PolarHBondContact O-N 3.47Å; L139-Q142 PolarHBondContact O-N 3.17Å; L139-A143 WeakPolarHBondContact O-CB 3.31Å; L139-A143 PolarHBondContact O-N 3.06Å
140	A	63.8	Low	58	Low	21 Å²	21	64.3 Å²	64.3	17%	0.174	38%	0.384	C	S	.	.	H	α-helix	trans	-59.8	-38.7	168.5	0	0	0	0	0	112	W107 E136 K137 A144	W107-A140 HydrophobicContact CZ2-CB 3.7Å; W107-A140 VanDerWaalsContact NE1-CB 3.34Å; E136-A140 WeakPolarHBondContact O-CA 3.22Å; E136-A140 WeakPolarHBondContact O-CB 3.13Å; E136-A140 PolarHBondContact O-N 2.63Å; K137-A140 PolarHBondContact O-N 3.12Å; A140-A144 WeakPolarHBondContact O-CB 3.48Å; A140-A144 PolarHBondContact O-N 3Å
141	Q	67	Low	58.5	Low	123 Å²	123	65.9 Å²	65.9	58%	0.575	39%	0.391	S	S	*	.	H	α-helix	trans	-71.1	-42.9	177.3	-78.6	177.7	-7	0	0	112.2	K137 N138 L139 A144 L145	K137-Q141 WeakPolarHBondContact O-CB 3.43Å; K137-Q141 VanDerWaalsContact O-CG 3.28Å; K137-Q141 WeakPolarHBondContact O-CG 3.24Å; K137-Q141 PolarHBondContact O-N 2.95Å; N138-Q141 PolarHBondContact O-N 2.85Å; L139-Q141 VanDerWaalsContact C-N 3.29Å; L139-Q141 PolarHBondContact O-N 3.47Å; Q141-A144 PolarHBondContact O-N 2.85Å; Q141-L145 WeakPolarHBondContact O-CB 3.46Å; Q141-L145 VanDerWaalsContact O-CG 3.23Å; Q141-L145 WeakPolarHBondContact O-CG 3.2Å; Q141-L145 PolarHBondContact O-N 3.44Å
142	Q	65.6	Low	59.2	Low	53 Å²	53	65.6 Å²	65.6	25%	0.248	37%	0.37	C	S	.	.	H	α-helix	trans	-66.2	-38.7	175	-66.4	-61.7	-14.4	0	0	111.7	N138 L139 L145 T146 Y179	N138-Q142 WeakPolarHBondContact O-CG 3.31Å; N138-Q142 PolarHBondContact O-N 3.01Å; L139-Q142 PolarHBondContact O-N 3.17Å; Q142-L145 PolarHBondContact O-N 3.21Å; Q142-T146 WeakPolarHBondContact O-CB 3.3Å; Q142-T146 PolarHBondContact O-N 2.94Å; Q142-T146 PolarHBondContact O-OG1 3.44Å; Q142-Y179 HydrophobicContact CG-CD2 4.4Å
143	A	64.5	Low	59.4	Low	0 Å²	0	63.4 Å²	63.4	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-60.9	-54	169.9	0	0	0	0	0	110.8	W107 F120 L139 L145 T146 L147	W107-A143 HydrophobicContact CB-CB 4.26Å; W107-A143 HydrophobicContact CG-CB 4.38Å; F120-A143 HydrophobicContact CD1-CB 3.78Å; F120-A143 HydrophobicContact CD2-CB 3.89Å; F120-A143 HydrophobicContact CE1-CB 3.7Å; F120-A143 HydrophobicContact CE2-CB 3.81Å; F120-A143 HydrophobicContact CG-CB 3.87Å; F120-A143 HydrophobicContact CZ-CB 3.7Å; L139-A143 WeakPolarHBondContact O-CB 3.31Å; L139-A143 PolarHBondContact O-N 3.06Å; A143-L145 PolarHBondContact O-N 3.38Å; A143-T146 CarbonylContact O-C 3.55Å; A143-T146 WeakPolarHBondContact O-CB 3.27Å; A143-T146 PolarHBondContact O-N 3.36Å; A143-L147 HydrophobicContact CB-CD1 4.35Å; A143-L147 VanDerWaalsContact O-CB 3.3Å; A143-L147 WeakPolarHBondContact O-CB 3.26Å; A143-L147 WeakPolarHBondContact O-CD1 3.39Å; A143-L147 WeakPolarHBondContact O-CG 3.45Å; A143-L147 PolarHBondContact O-N 3.4Å
144	A	64.5	Low	59.5	Low	58 Å²	58	65 Å²	65	48%	0.479	37%	0.369	S	S	.	.	H	α-helix	trans	-61.1	-28.6	179.1	0	0	0	0	0	113.7	A140 Q141 L147 S148	A140-A144 WeakPolarHBondContact O-CB 3.48Å; A140-A144 PolarHBondContact O-N 3Å; Q141-A144 PolarHBondContact O-N 2.85Å; A144-L147 CarbonylContact O-C 3.59Å; A144-S148 VanDerWaalsContact O-CB 3.31Å; A144-S148 WeakPolarHBondContact O-CB 3.32Å; A144-S148 PolarHBondContact O-N 3.1Å
145	L	67.1	Low	59.3	Low	104 Å²	104	67.5 Å²	67.5	55%	0.545	38%	0.381	S	S	.	.	H	α-helix	trans	-71.7	-47.7	170.8	-74.5	167.5	0	0	0	111.1	Q141 Q142 A143 L147 S148	Q141-L145 WeakPolarHBondContact O-CB 3.46Å; Q141-L145 VanDerWaalsContact O-CG 3.23Å; Q141-L145 WeakPolarHBondContact O-CG 3.2Å; Q141-L145 PolarHBondContact O-N 3.44Å; Q142-L145 PolarHBondContact O-N 3.21Å; A143-L145 PolarHBondContact O-N 3.38Å; L145-L147 PolarHBondContact O-N 3.03Å; L145-S148 PolarHBondContact O-N 2.82Å; L145-S148 VanDerWaalsContact O-N 3.09Å; L145-S148 PolarHBondContact O-OG 2.84Å
146	T	64.2	Low	59.4	Low	28 Å²	28	66.3 Å²	66.3	17%	0.172	38%	0.377	C	S	.	.	H	α-helix	trans	-61.5	-27.7	175	-50.9	0	0	0	0	112.4	F120 Q142 A143 T149 W166	F120-T146 HydrophobicContact CE1-CG2 4.2Å; F120-T146 HydrophobicContact CZ-CG2 4.48Å; Q142-T146 WeakPolarHBondContact O-CB 3.3Å; Q142-T146 PolarHBondContact O-N 2.94Å; Q142-T146 PolarHBondContact O-OG1 3.44Å; A143-T146 CarbonylContact O-C 3.55Å; A143-T146 WeakPolarHBondContact O-CB 3.27Å; A143-T146 PolarHBondContact O-N 3.36Å; T146-T149 PolarHBondContact O-OG1 2.87Å; T146-W166 HydrophobicContact CG2-CD2 4.08Å; T146-W166 HydrophobicContact CG2-CE3 4.27Å; T146-W166 HydrophobicContact CG2-CH2 3.77Å; T146-W166 HydrophobicContact CG2-CZ2 3.62Å; T146-W166 HydrophobicContact CG2-CZ3 4.1Å
147	L	61	Low	59.3	Low	20 Å²	20	65.6 Å²	65.6	11%	0.105	38%	0.382	C	S	.	.	H	α-helix	trans	-95.6	-11.3	177.5	-62.1	164.7	0	0	0	112.6	Y118 F120 A143 A144 L145 T149 E150 I152 W166	Y118-L147 HydrophobicContact CD1-CD2 4.05Å; Y118-L147 HydrophobicContact CD2-CD2 4.38Å; Y118-L147 HydrophobicContact CE1-CD2 4.12Å; Y118-L147 HydrophobicContact CG-CD2 4.12Å; F120-L147 HydrophobicContact CE2-CD1 3.73Å; F120-L147 HydrophobicContact CE2-CD2 4.37Å; F120-L147 HydrophobicContact CE2-CG 4.19Å; F120-L147 HydrophobicContact CZ-CD1 3.78Å; F120-L147 HydrophobicContact CZ-CD2 4.11Å; F120-L147 HydrophobicContact CZ-CG 3.8Å; A143-L147 HydrophobicContact CB-CD1 4.35Å; A143-L147 VanDerWaalsContact O-CB 3.3Å; A143-L147 WeakPolarHBondContact O-CB 3.26Å; A143-L147 WeakPolarHBondContact O-CD1 3.39Å; A143-L147 WeakPolarHBondContact O-CG 3.45Å; A143-L147 PolarHBondContact O-N 3.4Å; A144-L147 CarbonylContact O-C 3.59Å; L145-L147 PolarHBondContact O-N 3.03Å; L147-T149 PolarHBondContact O-N 3.29Å; L147-E150 CarbonylContact O-C 3.53Å; L147-E150 PolarHBondContact O-N 3.26Å; L147-I152 HydrophobicContact CB-CD1 4.41Å; L147-I152 HydrophobicContact CD1-CD1 3.5Å; L147-I152 VanDerWaalsContact CD1-CD1 3.5Å; L147-I152 HydrophobicContact CD1-CG1 4.46Å; L147-I152 HydrophobicContact CD2-CD1 3.77Å; L147-I152 HydrophobicContact CD2-CG1 4.06Å; L147-I152 HydrophobicContact CG-CD1 4.06Å; L147-W166 HydrophobicContact CD2-CH2 4.25Å; L147-W166 HydrophobicContact CD2-CZ3 4.15Å
148	S	56.1	Low	59.3	Low	93 Å²	93	59.9 Å²	59.9	65%	0.65	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-14.5	171.6	70.5	0	0	0	0	112.5	A144 L145	A144-S148 VanDerWaalsContact O-CB 3.31Å; A144-S148 WeakPolarHBondContact O-CB 3.32Å; A144-S148 PolarHBondContact O-N 3.1Å; L145-S148 PolarHBondContact O-N 2.82Å; L145-S148 VanDerWaalsContact O-N 3.09Å; L145-S148 PolarHBondContact O-OG 2.84Å
149	T	58.3	Low	59.4	Low	113 Å²	113	60.8 Å²	60.8	69%	0.693	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	-5.4	169.6	45.3	0	0	0	0	114.4	T146 L147	T146-T149 PolarHBondContact O-OG1 2.87Å; L147-T149 PolarHBondContact O-N 3.29Å
150	E	53.6	Low	59.8	Low	39 Å²	39	61.5 Å²	61.5	18%	0.182	37%	0.372	C	S	.	.	S	Bend	trans	-140.4	113.1	-175.3	-63.5	-167.9	-151.4	0	0	111.3	Y118 L147 I152 R164	Y118-E150 WeakPolarHBondContact CE1-OE2 3.45Å; Y118-E150 VanDerWaalsContact CZ-OE2 3.29Å; Y118-E150 PolarHBondContact OH-OE2 3.28Å; L147-E150 CarbonylContact O-C 3.53Å; L147-E150 PolarHBondContact O-N 3.26Å; E150-I152 PolarHBondContact O-N 3.1Å; E150-R164 IonicContact OE1-CZ 3.07Å; E150-R164 IonicContact OE1-NH1 2.89Å; E150-R164 PolarHBondContact OE1-NH1 2.81Å; E150-R164 IonicContact OE2-CZ 3.7Å; E150-R164 IonicContact OE2-NE 3.06Å; E150-R164 IonicContact OE2-NH1 3.94Å; E150-R164 PolarHBondContact OE2-NH1 3.02Å
151	T	50.5	Low	60.4	Low	107 Å²	107	62.7 Å²	62.7	66%	0.656	38%	0.377	S	S	*	.			trans	-62.8	98.2	-171.5	47	0	0	0	0	113.6	N111 G153	N111-T151 PolarHBondContact ND2-O 3.22Å; N111-T151 VanDerWaalsContact ND2-O 3.14Å; N111-T151 PolarHBondContact OD1-O 3Å; T151-G153 PolarHBondContact O-N 3.26Å
152	I	50.1	Low	61	Low	75 Å²	75	59.2 Å²	59.2	39%	0.385	36%	0.359	S	S	.	.			trans	-72.3	110.2	164.2	-73.4	-163.4	0	0	0	109.4	Y118 L147 E150	Y118-I152 HydrophobicContact CD2-CD1 4.47Å; Y118-I152 HydrophobicContact CE2-CG1 4.5Å; L147-I152 HydrophobicContact CB-CD1 4.41Å; L147-I152 HydrophobicContact CD1-CD1 3.5Å; L147-I152 VanDerWaalsContact CD1-CD1 3.5Å; L147-I152 HydrophobicContact CD1-CG1 4.46Å; L147-I152 HydrophobicContact CD2-CD1 3.77Å; L147-I152 HydrophobicContact CD2-CG1 4.06Å; L147-I152 HydrophobicContact CG-CD1 4.06Å; E150-I152 PolarHBondContact O-N 3.1Å
153	G	50	Low	61.8	Low	32 Å²	32	56.7 Å²	56.7	33%	0.33	35%	0.347	S	S	.	.			trans	-80.1	-159.4	166.7	0	0	0	0	0	113.2	T151	T151-G153 PolarHBondContact O-N 3.26Å
154	S	50.9	Low	62.7	Low	84 Å²	84	57.8 Å²	57.8	59%	0.587	35%	0.351	S	S	*	.	S	Bend	trans	-77.1	-176.3	-179.9	51	0	0	0	0	113.1	S112	S112-S154 PolarHBondContact OG-N 2.87Å
155	L	54.1	Low	63.6	Low	129 Å²	129	55 Å²	55	68%	0.675	33%	0.328	S	S	*	.	S	Bend	trans	-43.7	132	169.5	-166	75.1	0	0	0	110.4	T157 F259	L155-T157 PolarHBondContact O-N 2.62Å; L155-F259 HydrophobicContact CD1-CD1 4.46Å; L155-F259 HydrophobicContact CD1-CE1 3.87Å; L155-F259 HydrophobicContact CG-CD1 4.37Å; L155-F259 HydrophobicContact CG-CE1 4.25Å
156	P	57.2	Low	64.2	Low	11 Å²	11	50.5 Å²	50.5	7%	0.071	30%	0.304	C	S	.	.			trans	-66.7	133	-170.1	26.2	-34.6	0	0	0	111.8	Y110 F259	Y110-P156 HydrophobicContact CD1-CG 4.34Å; Y110-P156 HydrophobicContact CG-CG 4.14Å; P156-F259 HydrophobicContact CG-CD1 3.96Å; P156-F259 HydrophobicContact CG-CD2 3.72Å; P156-F259 HydrophobicContact CG-CE1 3.87Å; P156-F259 HydrophobicContact CG-CE2 3.62Å; P156-F259 HydrophobicContact CG-CG 3.89Å; P156-F259 HydrophobicContact CG-CZ 3.68Å
157	T	55.7	Low	65	Low	123 Å²	123	51.2 Å²	51.2	76%	0.755	31%	0.305	S	S	*	.	S	Bend	trans	-99.6	30.9	-176.1	57.6	0	0	0	0	112.6	L155	L155-T157 PolarHBondContact O-N 2.62Å
158	G	62.3	Low	65.6	Low	9 Å²	9	51.5 Å²	51.5	9%	0.093	30%	0.304	C	S	.	.	S	Bend	trans	174.6	178.3	-176.5	0	0	0	0	0	112.1
159	P	66.3	Low	66.3	Low	54 Å²	54	48 Å²	48	35%	0.351	28%	0.281	S	S	.	.			trans	-71.1	138.9	-171.7	29.3	-36	0	0	0	111.7	R115 T161 E260	R115-P159 WeakPolarHBondContact CB-O 3.48Å; R115-P159 WeakPolarHBondContact CD-O 3.3Å; P159-T161 PolarHBondContact O-N 2.95Å; P159-E260 WeakPolarHBondContact CD-OE1 3.32Å
160	I	72.9	Confident	66.9	Low	16 Å²	16	47.4 Å²	47.4	8%	0.082	27%	0.273	C	S	.	.			trans	-74.8	117.8	173.9	-62.4	159	0	0	0	108.3	Y110 R115 A117 Y162 L189 L256 F259	Y110-I160 HydrophobicContact CD1-CD1 3.69Å; Y110-I160 HydrophobicContact CD1-CG1 4.46Å; Y110-I160 HydrophobicContact CE1-CD1 3.61Å; R115-I160 WeakPolarHBondContact O-CA 3.49Å; A117-I160 HydrophobicContact CB-CD1 4.22Å; A117-I160 HydrophobicContact CB-CG2 3.63Å; I160-Y162 VanDerWaalsContact CG2-O 3.26Å; I160-Y162 WeakPolarHBondContact CG2-O 3.45Å; I160-L189 HydrophobicContact CB-CD1 4.38Å; I160-L189 HydrophobicContact CG2-CD1 3.71Å; I160-L256 HydrophobicContact CB-CD1 4.29Å; I160-L256 HydrophobicContact CD1-CD1 3.93Å; I160-L256 HydrophobicContact CD1-CD2 3.64Å; I160-L256 HydrophobicContact CD1-CG 4.36Å; I160-L256 HydrophobicContact CG2-CD1 4.23Å; I160-F259 HydrophobicContact CD1-CD2 4.3Å; I160-F259 HydrophobicContact CD1-CE2 3.78Å
161	T	76.4	Confident	67.6	Low	45 Å²	45	46.4 Å²	46.4	28%	0.276	27%	0.271	S	S	.	.			trans	-99.4	-19.2	-179.1	56.2	0	0	0	0	112.9	R115 P159 L189	R115-T161 HydrophobicContact CB-CG2 4.39Å; R115-T161 WeakPolarHBondContact CB-OG1 3.37Å; R115-T161 PolarHBondContact O-N 3.36Å; P159-T161 PolarHBondContact O-N 2.95Å; T161-L189 PolarHBondContact O-N 3.39Å
162	Y	80.9	Confident	68.1	Low	50 Å²	50	50.2 Å²	50.2	20%	0.196	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	149.7	-177.9	-59.9	-76.3	0	0	0	112.3	R115 V116 A117 I160 H186 F187 K188 L282	R115-Y162 PolarHBondContact O-N 2.79Å; V116-Y162 WeakPolarHBondContact CA-O 3.43Å; A117-Y162 PolarHBondContact N-O 3.44Å; I160-Y162 VanDerWaalsContact CG2-O 3.26Å; I160-Y162 WeakPolarHBondContact CG2-O 3.45Å; Y162-H186 AromaticContact CD1-NE2 3.25Å; Y162-H186 VanDerWaalsContact CD1-NE2 3.25Å; Y162-H186 WeakPolarHBondContact CD1-NE2 3.17Å; Y162-H186 AromaticContact CG-NE2 3.63Å; Y162-F187 CarbonylContact C-O 3.5Å; Y162-F187 VanDerWaalsContact CA-O 3.23Å; Y162-F187 WeakPolarHBondContact CA-O 3.32Å; Y162-K188 HydrophobicContact CD1-CB 4.1Å; Y162-K188 HydrophobicContact CE1-CB 4.05Å; Y162-K188 HydrophobicContact CE1-CG 4.29Å; Y162-L282 HydrophobicContact CE2-CD1 4.31Å
163	L	82.5	Confident	68.1	Low	0 Å²	0	49 Å²	49	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	118.8	174.1	-172.3	157.8	0	0	0	109.9	A117 V119 H165 F187 L189 L213 L215 V254 M270	A117-L163 HydrophobicContact CB-CG 4.44Å; A117-L163 CarbonylContact O-C 3.59Å; A117-L163 WeakPolarHBondContact O-CA 3.43Å; V119-L163 HydrophobicContact CB-CD2 4.35Å; V119-L163 HydrophobicContact CG2-CD1 4.01Å; V119-L163 HydrophobicContact CG2-CD2 3.91Å; V119-L163 HydrophobicContact CG2-CG 4.02Å; L163-H165 HydrophobicContact CD2-CB 4Å; L163-F187 HydrophobicContact CB-CB 4.35Å; L163-F187 HydrophobicContact CD2-CD2 3.99Å; L163-F187 PolarHBondContact N-O 3.11Å; L163-F187 PolarHBondContact O-N 2.82Å; L163-L189 HydrophobicContact CB-CD1 4.38Å; L163-L189 HydrophobicContact CB-CD2 3.98Å; L163-L189 HydrophobicContact CB-CG 4.35Å; L163-L213 HydrophobicContact CD1-CD1 4.38Å; L163-L213 HydrophobicContact CD2-CD1 4.43Å; L163-L215 HydrophobicContact CD1-CD1 4.1Å; L163-V254 HydrophobicContact CD1-CB 4.18Å; L163-V254 HydrophobicContact CD1-CG1 4.22Å; L163-V254 HydrophobicContact CD1-CG2 3.83Å; L163-M270 HydrophobicContact CD2-CE 4.19Å
164	R	82.3	Confident	68.2	Low	24 Å²	24	52.4 Å²	52.4	9%	0.091	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	121	171.1	-70.3	177.9	-171.8	-154.2	1.2	109	V116 A117 Y118 V119 E150 H186 W275 C278	V116-R164 HydrophobicContact CG1-CB 4.3Å; V116-R164 HydrophobicContact CG1-CG 3.88Å; A117-R164 PolarHBondContact O-N 3.24Å; Y118-R164 CarbonylContact C-O 3.5Å; Y118-R164 WeakPolarHBondContact CA-O 3.22Å; Y118-R164 HydrophobicContact CD1-CB 3.87Å; Y118-R164 HydrophobicContact CE1-CB 4.24Å; Y118-R164 HydrophobicContact CE1-CG 4.44Å; V119-R164 PolarHBondContact N-O 2.89Å; E150-R164 IonicContact OE1-CZ 3.07Å; E150-R164 IonicContact OE1-NH1 2.89Å; E150-R164 PolarHBondContact OE1-NH1 2.81Å; E150-R164 IonicContact OE2-CZ 3.7Å; E150-R164 IonicContact OE2-NE 3.06Å; E150-R164 IonicContact OE2-NH1 3.94Å; E150-R164 PolarHBondContact OE2-NH1 3.02Å; R164-H186 WeakPolarHBondContact CG-ND1 3.29Å; R164-W275 HydrophobicContact CB-CH2 4.34Å; R164-W275 HydrophobicContact CG-CH2 4.15Å; R164-W275 HydrophobicContact CG-CZ3 4.48Å; R164-C278 PolarHBondContact NH2-SG 3.49Å
165	H	83.2	Confident	67.9	Low	0 Å²	0	53 Å²	53	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	129.4	179.2	172.7	-104.2	0	0	0	109.9	V119 E121 L163 R184 R185 F187	V119-H165 WeakPolarHBondContact O-CA 3.23Å; E121-H165 IonicContact OE2-CD2 2.73Å; E121-H165 IonicContact OE2-CE1 3.11Å; E121-H165 PolarHBondContact OE2-CE1 2.94Å; E121-H165 IonicContact OE2-NE2 2.9Å; E121-H165 PolarHBondContact OE2-NE2 2.84Å; L163-H165 HydrophobicContact CD2-CB 4Å; H165-R184 WeakPolarHBondContact O-CA 3.46Å; H165-R185 HydrophobicContact CB-CB 4.43Å; H165-R185 PolarHBondContact N-O 3.21Å; H165-R185 PolarHBondContact O-N 3.48Å; H165-F187 HydrophobicContact CB-CD2 4.47Å; H165-F187 HydrophobicContact CB-CE2 4.01Å
166	W	80.1	Confident	68	Low	9 Å²	9	49.7 Å²	49.7	3%	0.034	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	123.8	174.5	-67.3	-67.9	0	0	0	109.9	Y118 V119 F120 E121 T146 L147 L181 W275	Y118-W166 HydrophobicContact CD1-CE3 4.38Å; Y118-W166 AromaticContact CD1-CH2 3.39Å; Y118-W166 HydrophobicContact CD1-CH2 3.39Å; Y118-W166 AromaticContact CD1-CZ3 3.28Å; Y118-W166 HydrophobicContact CD1-CZ3 3.28Å; Y118-W166 AromaticContact CE1-CH2 3.59Å; Y118-W166 HydrophobicContact CE1-CH2 3.59Å; Y118-W166 AromaticContact CE1-CZ3 3.99Å; Y118-W166 HydrophobicContact CE1-CZ3 3.99Å; Y118-W166 HydrophobicContact CG-CZ3 4.12Å; V119-W166 PolarHBondContact O-N 3.42Å; F120-W166 HydrophobicContact CD1-CB 4.25Å; F120-W166 AromaticContact CD1-CE3 3.95Å; F120-W166 HydrophobicContact CD1-CE3 3.95Å; F120-W166 HydrophobicContact CD2-CE3 4.42Å; F120-W166 HydrophobicContact CE1-CB 4.45Å; F120-W166 HydrophobicContact CE1-CD2 4.04Å; F120-W166 AromaticContact CE1-CE3 3.28Å; F120-W166 HydrophobicContact CE1-CE3 3.28Å; F120-W166 AromaticContact CE1-CZ3 3.71Å; F120-W166 HydrophobicContact CE1-CZ3 3.71Å; F120-W166 AromaticContact CE2-CE3 3.84Å; F120-W166 HydrophobicContact CE2-CE3 3.84Å; F120-W166 AromaticContact CE2-CZ3 3.77Å; F120-W166 HydrophobicContact CE2-CZ3 3.77Å; F120-W166 HydrophobicContact CG-CE3 4.47Å; F120-W166 HydrophobicContact CZ-CD2 4.34Å; F120-W166 AromaticContact CZ-CE3 3.24Å; F120-W166 HydrophobicContact CZ-CE3 3.24Å; F120-W166 HydrophobicContact CZ-CH2 4.27Å; F120-W166 AromaticContact CZ-CZ3 3.17Å; F120-W166 HydrophobicContact CZ-CZ3 3.17Å; E121-W166 PolarHBondContact N-O 3.48Å; T146-W166 HydrophobicContact CG2-CD2 4.08Å; T146-W166 HydrophobicContact CG2-CE3 4.27Å; T146-W166 HydrophobicContact CG2-CH2 3.77Å; T146-W166 HydrophobicContact CG2-CZ2 3.62Å; T146-W166 HydrophobicContact CG2-CZ3 4.1Å; L147-W166 HydrophobicContact CD2-CH2 4.25Å; L147-W166 HydrophobicContact CD2-CZ3 4.15Å; W166-L181 HydrophobicContact CB-CD1 3.88Å; W166-L181 HydrophobicContact CG-CD1 4.24Å; W166-W275 AromaticContact CE2-CH2 3.93Å; W166-W275 HydrophobicContact CZ2-CH2 4.03Å; W166-W275 HydrophobicContact CZ2-CZ2 4.43Å; W166-W275 AromaticContact NE1-CH2 3.57Å
167	K	80	Confident	68	Low	43 Å²	43	53.7 Å²	53.7	19%	0.187	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	118.8	179.6	-169.6	-170.9	-171.5	-176.2	0	109.2	E121 C123 Q182 E183	E121-K167 WeakPolarHBondContact O-CA 3.49Å; C123-K167 WeakPolarHBondContact SG-CE 3.32Å; K167-Q182 PolarHBondContact O-N 2.93Å; K167-E183 HydrophobicContact CB-CB 3.62Å; K167-E183 HydrophobicContact CD-CB 3.73Å; K167-E183 WeakPolarHBondContact CD-OE2 3.45Å; K167-E183 WeakPolarHBondContact CE-OE2 3.33Å; K167-E183 HydrophobicContact CG-CB 4.37Å; K167-E183 PolarHBondContact N-O 3.28Å; K167-E183 IonicContact NZ-OE2 2.66Å; K167-E183 PolarHBondContact NZ-OE2 3.24Å; K167-E183 PolarHBondContact O-N 3.49Å
168	W	73.5	Confident	68.3	Low	26 Å²	26	49.7 Å²	49.7	10%	0.098	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	147.8	178.2	-61.9	82.2	0	0	0	109.7	F120 E121 C122 C123 Y179 E180 L181	F120-W168 AromaticContact CD1-NE1 3.86Å; E121-W168 PolarHBondContact O-N 2.87Å; C122-W168 CarbonylContact C-O 3.6Å; C122-W168 WeakPolarHBondContact CA-O 3.36Å; C123-W168 PolarHBondContact N-O 3.48Å; W168-Y179 HydrophobicContact CB-CD1 4.49Å; W168-E180 WeakPolarHBondContact CA-O 3.47Å; W168-L181 HydrophobicContact CD2-CB 4.31Å; W168-L181 HydrophobicContact CD2-CD1 4.02Å; W168-L181 HydrophobicContact CE3-CB 4.01Å; W168-L181 HydrophobicContact CG-CD1 4.4Å; W168-L181 HydrophobicContact CH2-CB 4.1Å; W168-L181 HydrophobicContact CZ2-CB 4.36Å; W168-L181 HydrophobicContact CZ2-CD1 3.94Å; W168-L181 HydrophobicContact CZ3-CB 3.92Å
169	A	72.7	Confident	68.5	Low	18 Å²	18	50.3 Å²	50.3	15%	0.149	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	160.2	162.4	0	0	0	0	0	108.9	A171 Y179 E180 Q182	A169-A171 PolarHBondContact O-N 2.88Å; A169-Y179 CarbonylContact O-C 3.59Å; A169-Y179 VanDerWaalsContact O-CA 3.28Å; A169-Y179 WeakPolarHBondContact O-CA 3.38Å; A169-E180 PolarHBondContact N-O 3.24Å; A169-E180 PolarHBondContact O-N 3.05Å; A169-Q182 HydrophobicContact CB-CG 3.52Å
170	L	70.1	Confident	68.8	Low	101 Å²	101	53 Å²	53	53%	0.529	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	120.7	168.2	-172.3	71.7	0	0	0	108.3	Y179	L170-Y179 HydrophobicContact CD1-CE1 4.27Å; L170-Y179 HydrophobicContact CD1-CE2 4.5Å
171	A	67.2	Low	69	Low	18 Å²	18	55.5 Å²	55.5	15%	0.149	32%	0.317	C	S	.	.			trans	-64.4	140	178.1	0	0	0	0	0	109.1	A169 A173 S178 E180	A169-A171 PolarHBondContact O-N 2.88Å; A171-A173 HydrophobicContact CB-CB 4.29Å; A171-A173 PolarHBondContact O-N 3.34Å; A171-S178 WeakPolarHBondContact CB-O 3.5Å; A171-S178 PolarHBondContact N-O 3Å; A171-E180 HydrophobicContact CB-CB 3.92Å
172	Q	61.3	Low	68.9	Low	188 Å²	188	58.6 Å²	58.6	88%	0.879	33%	0.328	S	S	*	.			trans	-75.5	26.4	176.6	-57.9	-176.4	16.7	0	0	112.5
173	A	50.4	Low	68.6	Low	50 Å²	50	58.3 Å²	58.3	41%	0.413	33%	0.329	S	S	.	.			trans	-78.9	138.5	-176.1	0	0	0	0	0	111	A171 S175	A171-A173 HydrophobicContact CB-CB 4.29Å; A171-A173 PolarHBondContact O-N 3.34Å; A173-S175 PolarHBondContact O-N 3.14Å
174	T	52.5	Low	68.5	Low	102 Å²	102	65.3 Å²	65.3	63%	0.626	36%	0.355	S	S	*	.	S	Bend	trans	-73.9	6	-168	84.4	0	0	0	0	114	E411	T174-E411 VanDerWaalsContact CB-OE1 3.32Å; T174-E411 WeakPolarHBondContact CB-OE1 3.32Å; T174-E411 WeakPolarHBondContact CG2-OE1 3.35Å
175	S	45.3	Very low	68.4	Low	97 Å²	97	65.7 Å²	65.7	68%	0.678	36%	0.357	S	S	*	.	S	Bend	trans	-152.2	87.8	-163.5	61.7	0	0	0	0	113.3	A173	A173-S175 PolarHBondContact O-N 3.14Å
176	G	56.1	Low	68.3	Low	59 Å²	59	65.9 Å²	65.9	61%	0.608	36%	0.357	S	S	*	.	S	Bend	trans	89.9	159.1	171.8	0	0	0	0	0	114.9	S178	G176-S178 PolarHBondContact O-N 3.12Å; G176-S178 PolarHBondContact O-OG 3.35Å
177	D	56.7	Low	68.4	Low	96 Å²	96	65.4 Å²	65.4	51%	0.513	36%	0.356	S	S	.	.	S	Bend	trans	-69.1	69.5	-177.6	-58.6	-17.7	0	0	0	111.4
178	S	62.3	Low	68.6	Low	39 Å²	39	66.4 Å²	66.4	27%	0.273	36%	0.36	S	S	.	.			trans	-95.1	144.8	178.7	46.9	0	0	0	0	109.9	A171 G176	A171-S178 WeakPolarHBondContact CB-O 3.5Å; A171-S178 PolarHBondContact N-O 3Å; G176-S178 PolarHBondContact O-N 3.12Å; G176-S178 PolarHBondContact O-OG 3.35Å
179	Y	66.8	Low	68.9	Low	22 Å²	22	65.9 Å²	65.9	9%	0.086	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	138.8	-178.9	-69.2	-96.2	0	0	0	109.5	N138 Q142 W168 A169 L170	N138-Y179 HydrophobicContact CB-CE2 3.87Å; Q142-Y179 HydrophobicContact CG-CD2 4.4Å; W168-Y179 HydrophobicContact CB-CD1 4.49Å; A169-Y179 CarbonylContact O-C 3.59Å; A169-Y179 VanDerWaalsContact O-CA 3.28Å; A169-Y179 WeakPolarHBondContact O-CA 3.38Å; L170-Y179 HydrophobicContact CD1-CE1 4.27Å; L170-Y179 HydrophobicContact CD1-CE2 4.5Å
180	E	72.8	Confident	69	Low	110 Å²	110	67.7 Å²	67.7	51%	0.514	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	129	177.7	-177	170.5	-155	0	0	109.2	W168 A169 A171 Q182	W168-E180 WeakPolarHBondContact CA-O 3.47Å; A169-E180 PolarHBondContact N-O 3.24Å; A169-E180 PolarHBondContact O-N 3.05Å; A171-E180 HydrophobicContact CB-CB 3.92Å; E180-Q182 PolarHBondContact O-N 3.3Å; E180-Q182 VanDerWaalsContact O-N 3.11Å
181	L	75.1	Confident	68.8	Low	69 Å²	69	65.9 Å²	65.9	36%	0.361	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	103.2	176.9	-177.8	71.1	0	0	0	109.2	W166 W168 E183 R184	W166-L181 HydrophobicContact CB-CD1 3.88Å; W166-L181 HydrophobicContact CG-CD1 4.24Å; W168-L181 HydrophobicContact CD2-CB 4.31Å; W168-L181 HydrophobicContact CD2-CD1 4.02Å; W168-L181 HydrophobicContact CE3-CB 4.01Å; W168-L181 HydrophobicContact CG-CD1 4.4Å; W168-L181 HydrophobicContact CH2-CB 4.1Å; W168-L181 HydrophobicContact CZ2-CB 4.36Å; W168-L181 HydrophobicContact CZ2-CD1 3.94Å; W168-L181 HydrophobicContact CZ3-CB 3.92Å; L181-E183 WeakPolarHBondContact CD1-O 3.44Å; L181-R184 HydrophobicContact CD2-CB 4.47Å
182	Q	74.6	Confident	68.6	Low	110 Å²	110	66 Å²	66	51%	0.514	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	-38.9	179.3	-66.8	-66.1	-55.5	0	0	112.1	K167 A169 E180	K167-Q182 PolarHBondContact O-N 2.93Å; A169-Q182 HydrophobicContact CB-CG 3.52Å; E180-Q182 PolarHBondContact O-N 3.3Å; E180-Q182 VanDerWaalsContact O-N 3.11Å
183	E	74.8	Confident	68.2	Low	44 Å²	44	65.9 Å²	65.9	21%	0.206	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	139.2	-169.9	-145.5	172.6	164.6	0	0	110.5	K167 L181 R185	K167-E183 HydrophobicContact CB-CB 3.62Å; K167-E183 HydrophobicContact CD-CB 3.73Å; K167-E183 WeakPolarHBondContact CD-OE2 3.45Å; K167-E183 WeakPolarHBondContact CE-OE2 3.33Å; K167-E183 HydrophobicContact CG-CB 4.37Å; K167-E183 PolarHBondContact N-O 3.28Å; K167-E183 IonicContact NZ-OE2 2.66Å; K167-E183 PolarHBondContact NZ-OE2 3.24Å; K167-E183 PolarHBondContact O-N 3.49Å; L181-E183 WeakPolarHBondContact CD1-O 3.44Å; E183-R185 HydrophobicContact CG-CG 4.48Å; E183-R185 IonicContact OE1-CZ 2.77Å; E183-R185 IonicContact OE1-NE 3.59Å; E183-R185 PolarHBondContact OE1-NE 2.9Å; E183-R185 IonicContact OE1-NH2 2.76Å; E183-R185 PolarHBondContact OE1-NH2 2.93Å
184	R	80.9	Confident	68	Low	147 Å²	147	71 Å²	71	56%	0.555	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.3	129.3	166.7	65.3	-178.4	179.2	174.6	-0.4	108.3	H165 L181 W275	H165-R184 WeakPolarHBondContact O-CA 3.46Å; L181-R184 HydrophobicContact CD2-CB 4.47Å; R184-W275 HydrophobicContact CB-CE3 4.34Å; R184-W275 HydrophobicContact CB-CZ3 4.02Å; R184-W275 HydrophobicContact CG-CE3 4.28Å; R184-W275 HydrophobicContact CG-CZ3 4.45Å
185	R	79.4	Confident	67.3	Low	31 Å²	31	69.5 Å²	69.5	12%	0.117	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	148.9	175.8	-64.1	-168.6	-171.3	-170.9	20.2	110.7	H165 E183 F187 Q209 D272	H165-R185 HydrophobicContact CB-CB 4.43Å; H165-R185 PolarHBondContact N-O 3.21Å; H165-R185 PolarHBondContact O-N 3.48Å; E183-R185 HydrophobicContact CG-CG 4.48Å; E183-R185 IonicContact OE1-CZ 2.77Å; E183-R185 IonicContact OE1-NE 3.59Å; E183-R185 PolarHBondContact OE1-NE 2.9Å; E183-R185 IonicContact OE1-NH2 2.76Å; E183-R185 PolarHBondContact OE1-NH2 2.93Å; R185-F187 HydrophobicContact CB-CD2 4.22Å; R185-F187 HydrophobicContact CB-CE2 3.51Å; R185-F187 HydrophobicContact CB-CZ 3.8Å; R185-F187 VanDerWaalsContact CD-CZ 3.44Å; R185-F187 HydrophobicContact CG-CE2 4.43Å; R185-F187 HydrophobicContact CG-CZ 4.32Å; R185-Q209 PolarHBondContact NH1-O 3.4Å; R185-Q209 PolarHBondContact NH2-O 2.88Å; R185-Q209 VanDerWaalsContact NH2-O 3.08Å; R185-D272 IonicContact NH1-OD2 2.75Å
186	H	81.7	Confident	66.9	Low	4 Å²	4	69.9 Å²	69.9	2%	0.019	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	122	176.1	-170.7	107.8	0	0	0	107.7	Y162 R164 V273 W275 C278	Y162-H186 AromaticContact CD1-NE2 3.25Å; Y162-H186 VanDerWaalsContact CD1-NE2 3.25Å; Y162-H186 WeakPolarHBondContact CD1-NE2 3.17Å; Y162-H186 AromaticContact CG-NE2 3.63Å; R164-H186 WeakPolarHBondContact CG-ND1 3.29Å; H186-V273 PolarHBondContact O-N 2.87Å; H186-W275 HydrophobicContact CB-CE3 3.82Å; H186-W275 HydrophobicContact CB-CZ3 4.2Å; H186-C278 PolarHBondContact CE1-SG 3.06Å
187	F	82.4	Confident	66.1	Low	0 Å²	0	73.5 Å²	73.5	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	135.9	-179	-60.3	-83.4	0	0	0	110.3	Y162 L163 H165 R185 L211 M270 E271 D272	Y162-F187 CarbonylContact C-O 3.5Å; Y162-F187 VanDerWaalsContact CA-O 3.23Å; Y162-F187 WeakPolarHBondContact CA-O 3.32Å; L163-F187 HydrophobicContact CB-CB 4.35Å; L163-F187 HydrophobicContact CD2-CD2 3.99Å; L163-F187 PolarHBondContact N-O 3.11Å; L163-F187 PolarHBondContact O-N 2.82Å; H165-F187 HydrophobicContact CB-CD2 4.47Å; H165-F187 HydrophobicContact CB-CE2 4.01Å; R185-F187 HydrophobicContact CB-CD2 4.22Å; R185-F187 HydrophobicContact CB-CE2 3.51Å; R185-F187 HydrophobicContact CB-CZ 3.8Å; R185-F187 VanDerWaalsContact CD-CZ 3.44Å; R185-F187 HydrophobicContact CG-CE2 4.43Å; R185-F187 HydrophobicContact CG-CZ 4.32Å; F187-L211 HydrophobicContact CE2-CD1 3.94Å; F187-L211 HydrophobicContact CZ-CB 4.41Å; F187-L211 HydrophobicContact CZ-CD1 3.65Å; F187-M270 HydrophobicContact CB-CB 4.02Å; F187-M270 HydrophobicContact CB-CE 4.14Å; F187-M270 HydrophobicContact CB-CG 4.43Å; F187-M270 HydrophobicContact CD1-CB 3.65Å; F187-M270 HydrophobicContact CD1-CE 3.77Å; F187-M270 HydrophobicContact CD2-CE 3.25Å; F187-M270 HydrophobicContact CE1-CB 4.26Å; F187-M270 HydrophobicContact CE1-CE 3.84Å; F187-M270 HydrophobicContact CE2-CE 3.33Å; F187-M270 HydrophobicContact CG-CB 3.97Å; F187-M270 HydrophobicContact CG-CE 3.45Å; F187-M270 VanDerWaalsContact CG-CE 3.45Å; F187-M270 HydrophobicContact CZ-CE 3.61Å; F187-E271 CarbonylContact C-O 3.59Å; F187-E271 VanDerWaalsContact CA-O 3.23Å; F187-E271 WeakPolarHBondContact CA-O 3.47Å; F187-D272 HydrophobicContact CD1-CB 4.49Å; F187-D272 HydrophobicContact CE1-CB 4.42Å; F187-D272 VanDerWaalsContact CE1-OD1 3.25Å; F187-D272 WeakPolarHBondContact CE1-OD1 3.35Å; F187-D272 VanDerWaalsContact CE1-OD2 3.3Å; F187-D272 WeakPolarHBondContact CE1-OD2 3.25Å
188	K	83.1	Confident	64.9	Low	63 Å²	63	74 Å²	74	27%	0.274	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	138.4	159.8	171.2	176.8	153.7	-121.6	0	108.2	Y162 E190 E271 V273	Y162-K188 HydrophobicContact CD1-CB 4.1Å; Y162-K188 HydrophobicContact CE1-CB 4.05Å; Y162-K188 HydrophobicContact CE1-CG 4.29Å; K188-E190 WeakPolarHBondContact CE-OE1 3.31Å; K188-E190 HydrophobicContact CG-CG 4.4Å; K188-E190 IonicContact NZ-OE1 3.25Å; K188-E190 PolarHBondContact NZ-OE1 2.83Å; K188-E271 HydrophobicContact CB-CB 4.43Å; K188-E271 PolarHBondContact N-O 3.44Å; K188-E271 IonicContact NZ-OE2 3.46Å; K188-E271 PolarHBondContact NZ-OE2 3.34Å; K188-E271 PolarHBondContact O-N 3.2Å; K188-V273 HydrophobicContact CB-CG2 3.66Å
189	L	81	Confident	63.5	Low	15 Å²	15	76.1 Å²	76.1	8%	0.079	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	126.5	179	-57.2	-169.7	0	0	0	109.9	I160 T161 L163 V254 L256 L268 R269 M270	I160-L189 HydrophobicContact CB-CD1 4.38Å; I160-L189 HydrophobicContact CG2-CD1 3.71Å; T161-L189 PolarHBondContact O-N 3.39Å; L163-L189 HydrophobicContact CB-CD1 4.38Å; L163-L189 HydrophobicContact CB-CD2 3.98Å; L163-L189 HydrophobicContact CB-CG 4.35Å; L189-V254 HydrophobicContact CD1-CG1 4.09Å; L189-V254 HydrophobicContact CD2-CG1 3.69Å; L189-L256 HydrophobicContact CD1-CD1 3.54Å; L189-L268 HydrophobicContact CB-CB 4.31Å; L189-L268 HydrophobicContact CB-CD1 4.19Å; L189-L268 HydrophobicContact CD1-CD1 3.96Å; L189-R269 WeakPolarHBondContact CA-O 3.32Å; L189-M270 HydrophobicContact CD2-CB 4.49Å; L189-M270 HydrophobicContact CD2-CG 3.76Å
190	E	74.4	Confident	61.9	Low	56 Å²	56	85 Å²	85	26%	0.262	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	132.8	176.9	-62.6	-155	132	0	0	111.8	K188 R269	K188-E190 WeakPolarHBondContact CE-OE1 3.31Å; K188-E190 HydrophobicContact CG-CG 4.4Å; K188-E190 IonicContact NZ-OE1 3.25Å; K188-E190 PolarHBondContact NZ-OE1 2.83Å; E190-R269 PolarHBondContact N-O 3.19Å; E190-R269 PolarHBondContact O-N 2.76Å
191	P	67	Low	60	Low	63 Å²	63	86 Å²	86	41%	0.409	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	139	165.3	-22.8	34.2	0	0	0	111.3	E193 L268	P191-E193 PolarHBondContact O-N 2.78Å; P191-L268 HydrophobicContact CB-CD2 4.42Å; P191-L268 HydrophobicContact CG-CD2 4.19Å
192	L	62.1	Low	58.1	Low	20 Å²	20	88 Å²	88	11%	0.105	45%	0.452	C	S	.	.	G	3₁₀ helix	trans	-67.1	-23	-172.6	-162.1	63.8	0	0	0	113.5	K194 M195 E242 L245 F246	L192-K194 PolarHBondContact O-N 3.48Å; L192-M195 HydrophobicContact CD1-CE 4.31Å; L192-M195 HydrophobicContact CD1-SD 4.04Å; L192-M195 PolarHBondContact O-N 2.82Å; L192-E242 HydrophobicContact CD2-CB 3.99Å; L192-E242 HydrophobicContact CD2-CG 3.75Å; L192-E242 WeakPolarHBondContact CD2-OE1 3.3Å; L192-L245 HydrophobicContact CD1-CD1 4.25Å; L192-L245 HydrophobicContact CD2-CD1 4.02Å; L192-L245 HydrophobicContact CG-CD1 4.04Å; L192-F246 HydrophobicContact CD1-CZ 4.47Å; L192-F246 HydrophobicContact CD2-CE2 4.09Å
193	E	53.8	Low	56.4	Low	186 Å²	186	86.9 Å²	86.9	87%	0.869	46%	0.461	S	S	*	.	G	3₁₀ helix	trans	-56	-6.2	-175	-56.2	179.4	151.7	0	0	116.5	P191	P191-E193 PolarHBondContact O-N 2.78Å
194	K	45.4	Very low	54.7	Low	158 Å²	158	86.7 Å²	86.7	69%	0.687	46%	0.464	S	S	*	.	G	3₁₀ helix	trans	-102.4	5.7	-173.6	-67.7	-178	179.6	174.7	0	115.2	L192 S196	L192-K194 PolarHBondContact O-N 3.48Å; K194-S196 PolarHBondContact O-N 2.87Å
195	M	37.9	Very low	52.9	Low	70 Å²	70	89.5 Å²	89.5	35%	0.345	48%	0.484	S	S	.	.			trans	-77.8	53.5	-175.8	-71.4	-162.7	159.8	0	0	115.2	L192 N197 L245 L249 R269	L192-M195 HydrophobicContact CD1-CE 4.31Å; L192-M195 HydrophobicContact CD1-SD 4.04Å; L192-M195 PolarHBondContact O-N 2.82Å; M195-N197 VanDerWaalsContact C-N 3.31Å; M195-N197 PolarHBondContact O-N 3.42Å; M195-L245 HydrophobicContact SD-CD1 4.09Å; M195-L245 HydrophobicContact SD-CD2 4.09Å; M195-L249 HydrophobicContact CE-CD1 4.3Å; M195-R269 VanDerWaalsContact CE-CD 3.4Å
196	S	36.8	Very low	51.4	Low	105 Å²	105	90 Å²	90	73%	0.734	49%	0.492	S	S	*	.			trans	-81.1	-3.7	175	61.8	0	0	0	0	114.9	K194	K194-S196 PolarHBondContact O-N 2.87Å
197	N	38.3	Very low	49.7	Very low	136 Å²	136	94.1 Å²	94.1	73%	0.727	52%	0.517	S	S	*	.	S	Bend	trans	-136	124.4	-175.4	-77.5	-85.9	0	0	0	112.1	M195 C199	M195-N197 VanDerWaalsContact C-N 3.31Å; M195-N197 PolarHBondContact O-N 3.42Å; N197-C199 PolarHBondContact O-N 3.44Å
198	A	32.2	Very low	48.3	Very low	105 Å²	105	99.7 Å²	99.7	87%	0.868	55%	0.547	S	S	*	.			trans	-74.4	81.9	-175.8	0	0	0	0	0	112.8	K200	A198-K200 PolarHBondContact O-N 3.3Å
199	C	33.5	Very low	47.3	Very low	85 Å²	85	101.7 Å²	101.7	57%	0.574	56%	0.557	S	S	*	*			trans	-74.8	108.5	176.8	-160.4	0	0	0	0	111.3	N197 Y201	N197-C199 PolarHBondContact O-N 3.44Å; C199-Y201 HydrophobicContact CB-CD2 4.14Å; C199-Y201 HydrophobicContact CB-CE2 3.82Å; C199-Y201 PolarHBondContact O-N 3.34Å; C199-Y201 WeakPolarHBondContact SG-CE2 3.5Å
200	K	32.6	Very low	46.8	Very low	207 Å²	207	101.5 Å²	101.5	90%	0.9	56%	0.557	S	S	*	*			trans	-72.3	87.4	176.9	-70.2	179.2	177	177.7	0	111.3	A198	A198-K200 PolarHBondContact O-N 3.3Å
201	Y	32.2	Very low	46.9	Very low	131 Å²	131	98.9 Å²	98.9	51%	0.514	55%	0.545	S	S	.	.	P	Polyproline II helix	trans	-77.5	146.1	165.1	-76.2	-89.2	0	0	0	110.8	C199	C199-Y201 HydrophobicContact CB-CD2 4.14Å; C199-Y201 HydrophobicContact CB-CE2 3.82Å; C199-Y201 PolarHBondContact O-N 3.34Å; C199-Y201 WeakPolarHBondContact SG-CE2 3.5Å
202	P	36.9	Very low	47.6	Very low	113 Å²	113	96.2 Å²	96.2	73%	0.734	53%	0.527	S	S	*	.	P	Polyproline II helix	trans	-64.5	138.4	171.5	28.6	-34.1	0	0	0	109.9	C204	P202-C204 PolarHBondContact O-N 3.23Å
203	A	38.4	Very low	48.5	Very low	86 Å²	86	95.2 Å²	95.2	71%	0.711	52%	0.522	S	S	*	.	P	Polyproline II helix	trans	-63.1	128.4	174.8	0	0	0	0	0	109.9	E205	A203-E205 PolarHBondContact O-N 2.86Å
204	C	39.5	Very low	49.8	Very low	40 Å²	40	86.4 Å²	86.4	27%	0.27	48%	0.48	S	S	.	.			trans	-74.3	114.3	173	-174.4	0	0	0	0	109.5	P202 S206 Q209 S250	P202-C204 PolarHBondContact O-N 3.23Å; C204-S206 PolarHBondContact O-N 2.94Å; C204-S206 VanDerWaalsContact O-N 3.11Å; C204-S206 PolarHBondContact SG-O 2.9Å; C204-Q209 PolarHBondContact SG-OE1 3.27Å; C204-Q209 VanDerWaalsContact SG-OE1 3.34Å; C204-S250 PolarHBondContact N-OG 3.16Å
205	E	42.1	Very low	51.4	Low	205 Å²	205	79.2 Å²	79.2	96%	0.958	45%	0.45	S	S	*	.	S	Bend	trans	-67.2	-9.4	-176.5	-59.7	-175.6	145.7	0	0	114	A203	A203-E205 PolarHBondContact O-N 2.86Å
206	S	47.8	Very low	53.2	Low	41 Å²	41	78.9 Å²	78.9	29%	0.287	45%	0.449	S	S	.	.			trans	-123.1	113.9	-179.3	61.4	0	0	0	0	112.2	C204 D208 Q209	C204-S206 PolarHBondContact O-N 2.94Å; C204-S206 VanDerWaalsContact O-N 3.11Å; C204-S206 PolarHBondContact SG-O 2.9Å; S206-D208 PolarHBondContact O-N 3.23Å; S206-D208 VanDerWaalsContact O-N 3.17Å; S206-Q209 PolarHBondContact O-N 2.79Å; S206-Q209 VanDerWaalsContact O-N 3.13Å; S206-Q209 WeakPolarHBondContact OG-CG 3.45Å; S206-Q209 PolarHBondContact OG-NE2 3.3Å
207	V	47.5	Very low	55	Low	92 Å²	92	76.3 Å²	76.3	56%	0.558	43%	0.431	S	S	*	.	G	3₁₀ helix	trans	-54.9	-34.9	179.5	-177.1	0	0	0	0	112.5	Q209 C210 L222	V207-Q209 PolarHBondContact O-N 3.44Å; V207-C210 PolarHBondContact O-N 3.18Å; V207-L222 WeakPolarHBondContact CG1-O 3.25Å
208	D	52.4	Low	56.8	Low	116 Å²	116	75.4 Å²	75.4	62%	0.62	42%	0.42	S	S	*	.	G	3₁₀ helix	trans	-59.7	-17.2	-179.7	-62.8	-46.7	0	0	0	114.8	S206	S206-D208 PolarHBondContact O-N 3.23Å; S206-D208 VanDerWaalsContact O-N 3.17Å
209	Q	62.3	Low	58.8	Low	105 Å²	105	72 Å²	72	49%	0.491	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	-79.3	-17.8	176.1	-72.9	-176.1	41.6	0	0	113.7	R185 C204 S206 V207	R185-Q209 PolarHBondContact NH1-O 3.4Å; R185-Q209 PolarHBondContact NH2-O 2.88Å; R185-Q209 VanDerWaalsContact NH2-O 3.08Å; C204-Q209 PolarHBondContact SG-OE1 3.27Å; C204-Q209 VanDerWaalsContact SG-OE1 3.34Å; S206-Q209 PolarHBondContact O-N 2.79Å; S206-Q209 VanDerWaalsContact O-N 3.13Å; S206-Q209 WeakPolarHBondContact OG-CG 3.45Å; S206-Q209 PolarHBondContact OG-NE2 3.3Å; V207-Q209 PolarHBondContact O-N 3.44Å
210	C	69.3	Low	60.8	Low	12 Å²	12	68.6 Å²	68.6	8%	0.081	36%	0.362	C	S	.	.			trans	-80.9	139.6	178.3	-62.3	0	0	0	0	111.6	V207 F212 R220	V207-C210 PolarHBondContact O-N 3.18Å; C210-F212 HydrophobicContact CB-CD2 4.25Å; C210-F212 HydrophobicContact CB-CE2 3.48Å; C210-F212 VanDerWaalsContact CB-CE2 3.48Å; C210-F212 HydrophobicContact CB-CZ 3.9Å; C210-R220 PolarHBondContact O-NH2 3.09Å; C210-R220 VanDerWaalsContact O-NH2 3.1Å
211	L	76.8	Confident	62.7	Low	0 Å²	0	60.2 Å²	60.2	0%	0	33%	0.326	C	S	.	.			trans	-117.6	109.2	176.4	-95.2	153.6	0	0	0	109.7	F187 L213 R220 S252 A253 M270	F187-L211 HydrophobicContact CE2-CD1 3.94Å; F187-L211 HydrophobicContact CZ-CB 4.41Å; F187-L211 HydrophobicContact CZ-CD1 3.65Å; L211-L213 HydrophobicContact CD2-CD1 4.27Å; L211-L213 HydrophobicContact CD2-CD2 3.89Å; L211-L213 HydrophobicContact CD2-CG 4.15Å; L211-R220 VanDerWaalsContact CD2-CZ 3.48Å; L211-S252 PolarHBondContact N-OG 3.15Å; L211-S252 CarbonylContact O-C 3.52Å; L211-S252 WeakPolarHBondContact O-CA 3.32Å; L211-S252 VanDerWaalsContact O-CB 3.24Å; L211-S252 WeakPolarHBondContact O-CB 3.35Å; L211-A253 PolarHBondContact O-N 3.35Å; L211-M270 HydrophobicContact CB-CE 4.24Å
212	F	81.1	Confident	64.4	Low	7 Å²	7	56.9 Å²	56.9	3%	0.031	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	116.9	172.6	-59	-73.5	0	0	0	108.1	C210 R220 F221 A224 F227 A251 A253	C210-F212 HydrophobicContact CB-CD2 4.25Å; C210-F212 HydrophobicContact CB-CE2 3.48Å; C210-F212 VanDerWaalsContact CB-CE2 3.48Å; C210-F212 HydrophobicContact CB-CZ 3.9Å; F212-R220 CarbonylContact O-C 3.57Å; F212-R220 WeakPolarHBondContact O-CA 3.21Å; F212-F221 HydrophobicContact CB-CB 3.86Å; F212-F221 PolarHBondContact O-N 2.68Å; F212-A224 HydrophobicContact CD1-CB 4.44Å; F212-A224 HydrophobicContact CE1-CB 3.7Å; F212-A224 HydrophobicContact CE2-CB 4.21Å; F212-A224 HydrophobicContact CZ-CB 3.58Å; F212-F227 HydrophobicContact CB-CB 3.9Å; F212-F227 HydrophobicContact CB-CD1 4.14Å; F212-F227 HydrophobicContact CB-CD2 4.22Å; F212-F227 HydrophobicContact CB-CG 3.83Å; F212-F227 HydrophobicContact CD1-CB 4.42Å; F212-F227 AromaticContact CD1-CD1 3.81Å; F212-F227 HydrophobicContact CD1-CD1 3.81Å; F212-F227 HydrophobicContact CD1-CE1 4.39Å; F212-F227 HydrophobicContact CD1-CG 4.29Å; F212-F227 HydrophobicContact CG-CB 4.27Å; F212-F227 HydrophobicContact CG-CD1 4.35Å; F212-F227 HydrophobicContact CG-CG 4.39Å; F212-A251 WeakPolarHBondContact CE1-O 3.39Å; F212-A251 VanDerWaalsContact CZ-O 3.3Å; F212-A251 WeakPolarHBondContact CZ-O 3.39Å; F212-A253 WeakPolarHBondContact CA-O 3.39Å; F212-A253 HydrophobicContact CD1-CB 4.28Å
213	L	81.4	Confident	65.9	Low	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	116.6	-168.4	-64.1	174	0	0	0	110.6	L105 V119 L163 L211 L215 R220 A253 V254 L255 M270	L105-L213 HydrophobicContact CD1-CD2 3.8Å; L105-L213 HydrophobicContact CD2-CD2 3.82Å; L105-L213 HydrophobicContact CG-CD2 4.43Å; V119-L213 HydrophobicContact CG1-CD1 4.5Å; L163-L213 HydrophobicContact CD1-CD1 4.38Å; L163-L213 HydrophobicContact CD2-CD1 4.43Å; L211-L213 HydrophobicContact CD2-CD1 4.27Å; L211-L213 HydrophobicContact CD2-CD2 3.89Å; L211-L213 HydrophobicContact CD2-CG 4.15Å; L213-L215 HydrophobicContact CB-CD2 4.35Å; L213-R220 HydrophobicContact CD2-CB 4.07Å; L213-R220 HydrophobicContact CD2-CG 4.12Å; L213-A253 PolarHBondContact N-O 3.08Å; L213-V254 HydrophobicContact CB-CB 4.35Å; L213-V254 HydrophobicContact CB-CG2 4.01Å; L213-V254 CarbonylContact O-C 3.56Å; L213-V254 VanDerWaalsContact O-CA 3.3Å; L213-V254 WeakPolarHBondContact O-CA 3.15Å; L213-L255 PolarHBondContact O-N 3.1Å; L213-M270 HydrophobicContact CD1-CE 4.04Å; L213-M270 HydrophobicContact CD1-SD 4.32Å
214	C	82.3	Confident	67.5	Low	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	106.5	163.6	-178	0	0	0	0	109.4	L216 C217 K218 L219 F221 F227 H230 H235	C214-L216 VanDerWaalsContact C-N 3.34Å; C214-C217 PolarHBondContact SG-N 2.92Å; C214-K218 CarbonylContact O-C 3.53Å; C214-K218 VanDerWaalsContact O-CA 3.24Å; C214-K218 WeakPolarHBondContact O-CA 3.15Å; C214-K218 PolarHBondContact O-N 2.85Å; C214-L219 PolarHBondContact N-O 2.95Å; C214-L219 PolarHBondContact O-N 3.37Å; C214-F221 HydrophobicContact CB-CE2 3.99Å; C214-F227 HydrophobicContact CB-CE2 4.32Å; C214-H230 VanDerWaalsContact CB-NE2 3.33Å; C214-H230 WeakPolarHBondContact CB-NE2 3.48Å; C214-H230 PolarHBondContact SG-NE2 2.62Å; C214-H235 PolarHBondContact SG-NE2 3.45Å
215	L	77.8	Confident	69.1	Low	8 Å²	8	57.9 Å²	57.9	4%	0.042	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-14.2	179	-58.4	-176.2	0	0	0	112.6	L105 I108 V119 L163 L213 V254 L255 L256	L105-L215 HydrophobicContact CD1-CD2 3.53Å; I108-L215 HydrophobicContact CD1-CB 4.11Å; I108-L215 HydrophobicContact CD1-CD2 3.75Å; I108-L215 HydrophobicContact CD1-CG 4.46Å; I108-L215 HydrophobicContact CG1-CD2 4.23Å; V119-L215 HydrophobicContact CG1-CD2 4.45Å; V119-L215 HydrophobicContact CG2-CD1 4.04Å; V119-L215 HydrophobicContact CG2-CD2 3.88Å; L163-L215 HydrophobicContact CD1-CD1 4.1Å; L213-L215 HydrophobicContact CB-CD2 4.35Å; L215-V254 HydrophobicContact CD1-CG2 3.56Å; L215-V254 HydrophobicContact CG-CG2 3.7Å; L215-L255 WeakPolarHBondContact CB-O 3.35Å; L215-L255 PolarHBondContact N-O 3.04Å; L215-L256 HydrophobicContact CB-CD2 4.22Å; L215-L256 HydrophobicContact CD1-CD2 3.54Å; L215-L256 HydrophobicContact CD1-CG 3.97Å; L215-L256 HydrophobicContact CG-CD2 4.43Å
216	L	76.8	Confident	70.8	Confident	62 Å²	62	50.1 Å²	50.1	33%	0.325	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-49.9	168.4	-59.2	178.5	0	0	0	111.3	C214 L255 P257 A265	C214-L216 VanDerWaalsContact C-N 3.34Å; L216-L255 HydrophobicContact CD1-CD2 3.8Å; L216-L255 HydrophobicContact CD1-CG 4.24Å; L216-L255 HydrophobicContact CG-CD2 4.48Å; L216-P257 HydrophobicContact CD2-CB 3.68Å; L216-P257 HydrophobicContact CD2-CG 3.96Å; L216-A265 HydrophobicContact CD1-CB 3.68Å
217	C	73.9	Confident	72.3	Confident	52 Å²	52	48.1 Å²	48.1	35%	0.351	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-2.7	178.3	-70.2	0	0	0	0	114.7	C214 L219 H235	C214-C217 PolarHBondContact SG-N 2.92Å; C217-L219 VanDerWaalsContact C-N 3.31Å; C217-L219 HydrophobicContact CB-CD1 3.86Å; C217-L219 HydrophobicContact CB-CG 3.98Å; C217-L219 PolarHBondContact O-N 3.39Å; C217-H235 PolarHBondContact SG-NE2 3.39Å; C217-H235 VanDerWaalsContact SG-NE2 3.42Å
218	K	75.6	Confident	73.8	Confident	117 Å²	117	44.2 Å²	44.2	51%	0.509	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.5	34.6	-175.8	-52.3	-172.4	179.5	179.2	0	114.6	L105 I108 C214	L105-K218 HydrophobicContact CB-CB 4.34Å; L105-K218 WeakPolarHBondContact CB-O 3.43Å; L105-K218 PolarHBondContact N-O 3.49Å; L105-K218 VanDerWaalsContact N-O 3.14Å; I108-K218 HydrophobicContact CD1-CD 4.41Å; I108-K218 HydrophobicContact CD1-CG 3.91Å; C214-K218 CarbonylContact O-C 3.53Å; C214-K218 VanDerWaalsContact O-CA 3.24Å; C214-K218 WeakPolarHBondContact O-CA 3.15Å; C214-K218 PolarHBondContact O-N 2.85Å
219	L	74.6	Confident	74.9	Confident	32 Å²	32	42.8 Å²	42.8	17%	0.168	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	135.1	-177.1	-60.2	172.7	0	0	0	111.6	C214 C217 F221	C214-L219 PolarHBondContact N-O 2.95Å; C214-L219 PolarHBondContact O-N 3.37Å; C217-L219 VanDerWaalsContact C-N 3.31Å; C217-L219 HydrophobicContact CB-CD1 3.86Å; C217-L219 HydrophobicContact CB-CG 3.98Å; C217-L219 PolarHBondContact O-N 3.39Å; L219-F221 HydrophobicContact CB-CD2 4.39Å; L219-F221 HydrophobicContact CB-CE2 3.61Å; L219-F221 HydrophobicContact CB-CZ 3.91Å; L219-F221 HydrophobicContact CD1-CE2 4.35Å; L219-F221 HydrophobicContact CD1-CZ 3.85Å
220	R	75.3	Confident	75.8	Confident	15 Å²	15	38.3 Å²	38.3	6%	0.057	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	139.5	159.4	-179.5	176.6	176.9	168.8	5.6	110	A103 L105 E121 C210 L211 F212 L213	A103-R220 HydrophobicContact CB-CB 4.19Å; A103-R220 PolarHBondContact O-N 3.38Å; L105-R220 HydrophobicContact CD2-CB 4.14Å; E121-R220 VanDerWaalsContact CD-NH1 3.29Å; E121-R220 VanDerWaalsContact OE1-CD 3.31Å; E121-R220 WeakPolarHBondContact OE1-CD 3.37Å; E121-R220 IonicContact OE1-CZ 3.79Å; E121-R220 IonicContact OE1-NE 2.74Å; E121-R220 IonicContact OE1-NH1 2.72Å; E121-R220 PolarHBondContact OE1-NH1 2.82Å; E121-R220 WeakPolarHBondContact OE2-CD 3.32Å; E121-R220 IonicContact OE2-CZ 3.37Å; E121-R220 IonicContact OE2-NH1 2.81Å; E121-R220 PolarHBondContact OE2-NH1 3.44Å; C210-R220 PolarHBondContact O-NH2 3.09Å; C210-R220 VanDerWaalsContact O-NH2 3.1Å; L211-R220 VanDerWaalsContact CD2-CZ 3.48Å; F212-R220 CarbonylContact O-C 3.57Å; F212-R220 WeakPolarHBondContact O-CA 3.21Å; L213-R220 HydrophobicContact CD2-CB 4.07Å; L213-R220 HydrophobicContact CD2-CG 4.12Å
221	F	73.3	Confident	76.3	Confident	30 Å²	30	37.9 Å²	37.9	13%	0.132	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	150.8	170.8	-59.8	-98.9	0	0	0	110.3	F212 C214 L219 C226 F227 H230	F212-F221 HydrophobicContact CB-CB 3.86Å; F212-F221 PolarHBondContact O-N 2.68Å; C214-F221 HydrophobicContact CB-CE2 3.99Å; L219-F221 HydrophobicContact CB-CD2 4.39Å; L219-F221 HydrophobicContact CB-CE2 3.61Å; L219-F221 HydrophobicContact CB-CZ 3.91Å; L219-F221 HydrophobicContact CD1-CE2 4.35Å; L219-F221 HydrophobicContact CD1-CZ 3.85Å; F221-C226 HydrophobicContact CD1-CB 4.1Å; F221-C226 WeakPolarHBondContact CD1-O 3.13Å; F221-C226 WeakPolarHBondContact CE1-O 3.39Å; F221-F227 HydrophobicContact CB-CB 3.91Å; F221-F227 HydrophobicContact CD1-CB 4.48Å; F221-F227 HydrophobicContact CD2-CB 4.17Å; F221-F227 AromaticContact CD2-CD2 3.65Å; F221-F227 HydrophobicContact CD2-CD2 3.65Å; F221-F227 HydrophobicContact CD2-CG 4.37Å; F221-F227 HydrophobicContact CE2-CD2 4.05Å; F221-F227 HydrophobicContact CG-CB 3.94Å; F221-F227 HydrophobicContact CG-CD2 4.3Å; F221-H230 HydrophobicContact CE1-CB 3.77Å; F221-H230 AromaticContact CE1-CG 3.98Å; F221-H230 HydrophobicContact CE2-CB 4.36Å; F221-H230 AromaticContact CE2-CD2 3.5Å; F221-H230 VanDerWaalsContact CE2-CD2 3.5Å; F221-H230 WeakPolarHBondContact CE2-CD2 3.03Å; F221-H230 AromaticContact CE2-CG 3.95Å; F221-H230 AromaticContact CE2-NE2 3.97Å; F221-H230 HydrophobicContact CZ-CB 3.56Å; F221-H230 AromaticContact CZ-CD2 3.31Å; F221-H230 WeakPolarHBondContact CZ-CD2 3.46Å; F221-H230 AromaticContact CZ-CG 3.27Å; F221-H230 AromaticContact CZ-ND1 3.78Å; F221-H230 AromaticContact CZ-NE2 3.83Å
222	L	67.4	Low	76.4	Confident	62 Å²	62	39.4 Å²	39.4	33%	0.325	20%	0.204	S	C	.	.	S	Bend	trans	-105.2	-2.5	-179.8	-75	149.5	0	0	0	113.2	V207	V207-L222 WeakPolarHBondContact CG1-O 3.25Å
223	R	68.3	Low	76.3	Confident	165 Å²	165	43.2 Å²	43.2	62%	0.623	23%	0.228	S	C	*	.	S	Bend	trans	-144.8	130.8	-178.9	-57.1	-170.6	-62.3	-175.6	0.1	109.6	C226 F227	R223-C226 PolarHBondContact NE-SG 3.43Å; R223-C226 PolarHBondContact NH2-SG 2.8Å; R223-C226 PolarHBondContact O-N 3.37Å; R223-C226 VanDerWaalsContact O-N 3.16Å; R223-F227 PolarHBondContact O-N 2.85Å
224	A	73	Confident	76.4	Confident	13 Å²	13	48.8 Å²	48.8	11%	0.107	26%	0.257	C	S	.	.	H	α-helix	trans	-53.4	-44.4	178.5	0	0	0	0	0	113.4	F212 C226 F227 L228	F212-A224 HydrophobicContact CD1-CB 4.44Å; F212-A224 HydrophobicContact CE1-CB 3.7Å; F212-A224 HydrophobicContact CE2-CB 4.21Å; F212-A224 HydrophobicContact CZ-CB 3.58Å; A224-C226 VanDerWaalsContact C-N 3.3Å; A224-C226 PolarHBondContact O-N 2.92Å; A224-F227 WeakPolarHBondContact O-CB 3.23Å; A224-F227 PolarHBondContact O-N 3.39Å; A224-L228 WeakPolarHBondContact O-CG 3.38Å; A224-L228 PolarHBondContact O-N 2.64Å
225	P	72.1	Confident	76.2	Confident	81 Å²	81	51 Å²	51	53%	0.526	27%	0.267	S	S	.	.	H	α-helix	trans	-58.2	-37.6	179	-27.5	36.8	0	0	0	114.1	F227 D229	P225-F227 VanDerWaalsContact C-N 3.33Å; P225-D229 WeakPolarHBondContact O-CB 3.3Å; P225-D229 PolarHBondContact O-N 3.28Å
226	C	77	Confident	76	Confident	42 Å²	42	59.5 Å²	59.5	28%	0.284	30%	0.304	S	S	.	.	H	α-helix	trans	-74	-25	178.4	-58.5	0	0	0	0	112.9	F221 R223 A224 H230	F221-C226 HydrophobicContact CD1-CB 4.1Å; F221-C226 WeakPolarHBondContact CD1-O 3.13Å; F221-C226 WeakPolarHBondContact CE1-O 3.39Å; R223-C226 PolarHBondContact NE-SG 3.43Å; R223-C226 PolarHBondContact NH2-SG 2.8Å; R223-C226 PolarHBondContact O-N 3.37Å; R223-C226 VanDerWaalsContact O-N 3.16Å; A224-C226 VanDerWaalsContact C-N 3.3Å; A224-C226 PolarHBondContact O-N 2.92Å; C226-H230 WeakPolarHBondContact O-CB 3.24Å; C226-H230 PolarHBondContact O-N 3.22Å
227	F	79.7	Confident	75.8	Confident	0 Å²	0	58 Å²	58	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-78.1	-41.2	174.4	172.5	-117.5	0	0	0	111.6	F212 C214 F221 R223 A224 P225 H230 C231 A253 L255 L267	F212-F227 HydrophobicContact CB-CB 3.9Å; F212-F227 HydrophobicContact CB-CD1 4.14Å; F212-F227 HydrophobicContact CB-CD2 4.22Å; F212-F227 HydrophobicContact CB-CG 3.83Å; F212-F227 HydrophobicContact CD1-CB 4.42Å; F212-F227 AromaticContact CD1-CD1 3.81Å; F212-F227 HydrophobicContact CD1-CD1 3.81Å; F212-F227 HydrophobicContact CD1-CE1 4.39Å; F212-F227 HydrophobicContact CD1-CG 4.29Å; F212-F227 HydrophobicContact CG-CB 4.27Å; F212-F227 HydrophobicContact CG-CD1 4.35Å; F212-F227 HydrophobicContact CG-CG 4.39Å; C214-F227 HydrophobicContact CB-CE2 4.32Å; F221-F227 HydrophobicContact CB-CB 3.91Å; F221-F227 HydrophobicContact CD1-CB 4.48Å; F221-F227 HydrophobicContact CD2-CB 4.17Å; F221-F227 AromaticContact CD2-CD2 3.65Å; F221-F227 HydrophobicContact CD2-CD2 3.65Å; F221-F227 HydrophobicContact CD2-CG 4.37Å; F221-F227 HydrophobicContact CE2-CD2 4.05Å; F221-F227 HydrophobicContact CG-CB 3.94Å; F221-F227 HydrophobicContact CG-CD2 4.3Å; R223-F227 PolarHBondContact O-N 2.85Å; A224-F227 WeakPolarHBondContact O-CB 3.23Å; A224-F227 PolarHBondContact O-N 3.39Å; P225-F227 VanDerWaalsContact C-N 3.33Å; F227-H230 WeakPolarHBondContact O-CB 3.17Å; F227-H230 PolarHBondContact O-N 2.91Å; F227-C231 PolarHBondContact O-N 3.44Å; F227-C231 PolarHBondContact O-SG 3.07Å; F227-A253 HydrophobicContact CE1-CB 3.77Å; F227-A253 HydrophobicContact CZ-CB 4.44Å; F227-L255 HydrophobicContact CE2-CB 4.23Å; F227-L255 HydrophobicContact CZ-CB 4.16Å; F227-L267 HydrophobicContact CE1-CD1 3.62Å; F227-L267 HydrophobicContact CZ-CD1 3.78Å
228	L	78.6	Confident	75.2	Confident	9 Å²	9	62.3 Å²	62.3	5%	0.047	32%	0.315	C	S	.	.	H	α-helix	trans	-66.1	-48.1	176	-63.5	168.9	0	0	0	111.3	A224 H230 C231 S232 R243 F246	A224-L228 WeakPolarHBondContact O-CG 3.38Å; A224-L228 PolarHBondContact O-N 2.64Å; L228-H230 PolarHBondContact O-N 3.25Å; L228-C231 CarbonylContact O-C 3.57Å; L228-C231 WeakPolarHBondContact O-CA 3.47Å; L228-C231 WeakPolarHBondContact O-CB 3.23Å; L228-C231 PolarHBondContact O-N 2.81Å; L228-S232 PolarHBondContact O-N 3Å; L228-S232 PolarHBondContact O-OG 3.39Å; L228-S232 VanDerWaalsContact O-OG 3.1Å; L228-R243 HydrophobicContact CD1-CG 4.24Å; L228-F246 HydrophobicContact CD1-CB 3.73Å; L228-F246 HydrophobicContact CD1-CD2 4.46Å; L228-F246 HydrophobicContact CD1-CG 4.35Å; L228-F246 HydrophobicContact CD2-CD2 3.77Å; L228-F246 HydrophobicContact CD2-CE2 4.3Å; L228-F246 HydrophobicContact CD2-CG 4.24Å
229	D	76.7	Confident	74.5	Confident	86 Å²	86	58.4 Å²	58.4	46%	0.46	30%	0.299	S	S	.	.	H	α-helix	trans	-54.9	-39.6	173.9	-177.2	73.4	0	0	0	111.9	P225 S232 T233	P225-D229 WeakPolarHBondContact O-CB 3.3Å; P225-D229 PolarHBondContact O-N 3.28Å; D229-S232 PolarHBondContact O-OG 3.45Å; D229-T233 VanDerWaalsContact O-CB 3.26Å; D229-T233 WeakPolarHBondContact O-CB 3.46Å; D229-T233 WeakPolarHBondContact O-CG2 3.25Å; D229-T233 PolarHBondContact O-N 2.82Å; D229-T233 PolarHBondContact O-OG1 2.91Å
230	H	80.1	Confident	73.5	Confident	11 Å²	11	59.9 Å²	59.9	5%	0.051	32%	0.322	C	S	.	.	H	α-helix	trans	-65.6	-40.9	170.9	171.3	70.9	0	0	0	113.3	C214 F221 C226 F227 L228 L234 H235	C214-H230 VanDerWaalsContact CB-NE2 3.33Å; C214-H230 WeakPolarHBondContact CB-NE2 3.48Å; C214-H230 PolarHBondContact SG-NE2 2.62Å; F221-H230 HydrophobicContact CE1-CB 3.77Å; F221-H230 AromaticContact CE1-CG 3.98Å; F221-H230 HydrophobicContact CE2-CB 4.36Å; F221-H230 AromaticContact CE2-CD2 3.5Å; F221-H230 VanDerWaalsContact CE2-CD2 3.5Å; F221-H230 WeakPolarHBondContact CE2-CD2 3.03Å; F221-H230 AromaticContact CE2-CG 3.95Å; F221-H230 AromaticContact CE2-NE2 3.97Å; F221-H230 HydrophobicContact CZ-CB 3.56Å; F221-H230 AromaticContact CZ-CD2 3.31Å; F221-H230 WeakPolarHBondContact CZ-CD2 3.46Å; F221-H230 AromaticContact CZ-CG 3.27Å; F221-H230 AromaticContact CZ-ND1 3.78Å; F221-H230 AromaticContact CZ-NE2 3.83Å; C226-H230 WeakPolarHBondContact O-CB 3.24Å; C226-H230 PolarHBondContact O-N 3.22Å; F227-H230 WeakPolarHBondContact O-CB 3.17Å; F227-H230 PolarHBondContact O-N 2.91Å; L228-H230 PolarHBondContact O-N 3.25Å; H230-L234 WeakPolarHBondContact O-CB 3.29Å; H230-L234 PolarHBondContact O-N 3.2Å; H230-H235 AromaticContact CE1-NE2 3.98Å; H230-H235 AromaticContact NE2-CD2 3.94Å; H230-H235 AromaticContact NE2-NE2 3.62Å
231	C	81.1	Confident	72.4	Confident	3 Å²	3	67.1 Å²	67.1	2%	0.02	36%	0.357	C	S	.	.	H	α-helix	trans	-66.5	-40.5	178.2	-70.2	0	0	0	0	112.7	F227 L228 H235 K236 I237	F227-C231 PolarHBondContact O-N 3.44Å; F227-C231 PolarHBondContact O-SG 3.07Å; L228-C231 CarbonylContact O-C 3.57Å; L228-C231 WeakPolarHBondContact O-CA 3.47Å; L228-C231 WeakPolarHBondContact O-CB 3.23Å; L228-C231 PolarHBondContact O-N 2.81Å; C231-H235 CarbonylContact O-C 3.39Å; C231-H235 VanDerWaalsContact O-CA 3.27Å; C231-H235 WeakPolarHBondContact O-CA 3.5Å; C231-H235 VanDerWaalsContact O-CB 3.31Å; C231-H235 WeakPolarHBondContact O-CB 3.4Å; C231-H235 PolarHBondContact O-N 3.3Å; C231-H235 VanDerWaalsContact O-N 3.1Å; C231-K236 PolarHBondContact O-N 2.92Å; C231-I237 HydrophobicContact CB-CB 4.44Å; C231-I237 HydrophobicContact CB-CD1 4.11Å; C231-I237 PolarHBondContact O-N 2.92Å
232	S	78.1	Confident	71.7	Confident	33 Å²	33	68 Å²	68	23%	0.231	36%	0.361	C	S	.	.	H	α-helix	trans	-76	-45.4	177.2	50	0	0	0	0	112.1	L228 D229 K236 E239	L228-S232 PolarHBondContact O-N 3Å; L228-S232 PolarHBondContact O-OG 3.39Å; L228-S232 VanDerWaalsContact O-OG 3.1Å; D229-S232 PolarHBondContact O-OG 3.45Å; S232-K236 WeakPolarHBondContact O-CA 3.46Å; S232-K236 PolarHBondContact O-N 2.88Å; S232-E239 WeakPolarHBondContact CB-OE1 3.24Å; S232-E239 PolarHBondContact OG-OE1 3.01Å
233	T	79.1	Confident	71.2	Confident	87 Å²	87	70.1 Å²	70.1	53%	0.534	37%	0.365	S	S	.	.	H	α-helix	trans	-68.2	-44	-179.3	56.8	0	0	0	0	114.2	D229	D229-T233 VanDerWaalsContact O-CB 3.26Å; D229-T233 WeakPolarHBondContact O-CB 3.46Å; D229-T233 WeakPolarHBondContact O-CG2 3.25Å; D229-T233 PolarHBondContact O-N 2.82Å; D229-T233 PolarHBondContact O-OG1 2.91Å
234	L	82.8	Confident	70.5	Confident	116 Å²	116	66.7 Å²	66.7	61%	0.607	37%	0.367	S	S	*	.	H	α-helix	trans	-106.1	-21.1	-172.5	-72.9	169.9	0	0	0	114.4	H230	H230-L234 WeakPolarHBondContact O-CB 3.29Å; H230-L234 PolarHBondContact O-N 3.2Å
235	H	78.6	Confident	69.7	Low	46 Å²	46	69.1 Å²	69.1	21%	0.213	38%	0.377	C	S	.	.	H	α-helix	trans	-116	-2	178.3	-59.9	-55.9	0	0	0	114.4	C214 C217 H230 C231 I237 L255 A265	C214-H235 PolarHBondContact SG-NE2 3.45Å; C217-H235 PolarHBondContact SG-NE2 3.39Å; C217-H235 VanDerWaalsContact SG-NE2 3.42Å; H230-H235 AromaticContact CE1-NE2 3.98Å; H230-H235 AromaticContact NE2-CD2 3.94Å; H230-H235 AromaticContact NE2-NE2 3.62Å; C231-H235 CarbonylContact O-C 3.39Å; C231-H235 VanDerWaalsContact O-CA 3.27Å; C231-H235 WeakPolarHBondContact O-CA 3.5Å; C231-H235 VanDerWaalsContact O-CB 3.31Å; C231-H235 WeakPolarHBondContact O-CB 3.4Å; C231-H235 PolarHBondContact O-N 3.3Å; C231-H235 VanDerWaalsContact O-N 3.1Å; H235-I237 HydrophobicContact CB-CD1 4.32Å; H235-I237 HydrophobicContact CB-CG1 4.23Å; H235-I237 PolarHBondContact O-N 2.83Å; H235-L255 HydrophobicContact CB-CD2 4.03Å; H235-L255 WeakPolarHBondContact CD2-CD2 3.41Å; H235-A265 HydrophobicContact CB-CB 4.26Å
236	K	73.2	Confident	69.1	Low	187 Å²	187	65.8 Å²	65.8	81%	0.813	36%	0.355	S	S	*	.			trans	54.3	38	175.6	-57	-174.5	179.4	-176.2	0	113.7	C231 S232	C231-K236 PolarHBondContact O-N 2.92Å; S232-K236 WeakPolarHBondContact O-CA 3.46Å; S232-K236 PolarHBondContact O-N 2.88Å
237	I	73	Confident	67.8	Low	31 Å²	31	70.4 Å²	70.4	16%	0.159	37%	0.374	C	S	.	.			trans	-78	130.4	173.4	-60.1	-178.8	0	0	0	108.2	C231 H235 E239 L255 A265	C231-I237 HydrophobicContact CB-CB 4.44Å; C231-I237 HydrophobicContact CB-CD1 4.11Å; C231-I237 PolarHBondContact O-N 2.92Å; H235-I237 HydrophobicContact CB-CD1 4.32Å; H235-I237 HydrophobicContact CB-CG1 4.23Å; H235-I237 PolarHBondContact O-N 2.83Å; I237-E239 PolarHBondContact O-N 3.08Å; I237-L255 HydrophobicContact CD1-CD1 3.24Å; I237-L255 HydrophobicContact CD1-CD2 4.13Å; I237-L255 HydrophobicContact CD1-CG 4.3Å; I237-A265 HydrophobicContact CD1-CB 3.93Å; I237-A265 HydrophobicContact CG1-CB 4.4Å
238	D	62.2	Low	66.4	Low	142 Å²	142	74 Å²	74	76%	0.759	41%	0.41	S	S	*	.			trans	-80.9	112.7	-177.4	-171.5	9.1	0	0	0	109.9	G240	D238-G240 PolarHBondContact O-N 2.92Å
239	E	59.4	Low	65.1	Low	35 Å²	35	76.4 Å²	76.4	16%	0.164	42%	0.423	C	S	.	.			trans	-78.6	2.2	-168.5	-56.4	-178.2	150.1	0	0	114	S232 I237 E241 E242 R243	S232-E239 WeakPolarHBondContact CB-OE1 3.24Å; S232-E239 PolarHBondContact OG-OE1 3.01Å; I237-E239 PolarHBondContact O-N 3.08Å; E239-E241 VanDerWaalsContact C-N 3.33Å; E239-E241 PolarHBondContact O-N 3.5Å; E239-E242 PolarHBondContact O-N 3.41Å; E239-E242 VanDerWaalsContact O-N 3.16Å; E239-R243 HydrophobicContact CB-CB 4.23Å; E239-R243 PolarHBondContact O-N 2.79Å; E239-R243 VanDerWaalsContact O-N 3.12Å; E239-R243 IonicContact OE1-NH1 2.8Å; E239-R243 WeakPolarHBondContact OE2-CD 3.33Å; E239-R243 IonicContact OE2-CZ 2.96Å; E239-R243 IonicContact OE2-NE 3.89Å; E239-R243 IonicContact OE2-NH1 3.84Å; E239-R243 PolarHBondContact OE2-NH1 3.14Å
240	G	54.3	Low	64.2	Low	64 Å²	64	74.8 Å²	74.8	66%	0.66	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.9	-39.3	-155.9	0	0	0	0	0	117.1	D238	D238-G240 PolarHBondContact O-N 2.92Å
241	E	52.6	Low	63.5	Low	166 Å²	166	74.9 Å²	74.9	78%	0.776	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.2	-24.4	170.6	-62	-168.4	155.3	0	0	112.8	E239 R243 S244	E239-E241 VanDerWaalsContact C-N 3.33Å; E239-E241 PolarHBondContact O-N 3.5Å; E241-R243 PolarHBondContact O-N 2.9Å; E241-S244 PolarHBondContact O-N 3.25Å
242	E	57.5	Low	63.3	Low	49 Å²	49	75.1 Å²	75.1	23%	0.229	42%	0.422	C	S	.	.	H	α-helix	trans	-65.3	-35.9	-173.4	-51.9	-162.9	138	0	0	112.9	L192 E239 S244 L245 F246 L267	L192-E242 HydrophobicContact CD2-CB 3.99Å; L192-E242 HydrophobicContact CD2-CG 3.75Å; L192-E242 WeakPolarHBondContact CD2-OE1 3.3Å; E239-E242 PolarHBondContact O-N 3.41Å; E239-E242 VanDerWaalsContact O-N 3.16Å; E242-S244 PolarHBondContact O-N 2.84Å; E242-L245 WeakPolarHBondContact O-CB 3.47Å; E242-L245 PolarHBondContact O-N 2.97Å; E242-F246 WeakPolarHBondContact O-CD2 3.44Å; E242-F246 PolarHBondContact O-N 2.75Å; E242-L267 WeakPolarHBondContact OE2-CD2 3.35Å
243	R	57.2	Low	63.4	Low	106 Å²	106	73.5 Å²	73.5	40%	0.4	41%	0.412	S	S	.	.	H	α-helix	trans	-57	-38.6	-177.4	-151	173.8	-175.6	153.3	1.2	111.6	L228 E239 E241 F246 M247	L228-R243 HydrophobicContact CD1-CG 4.24Å; E239-R243 HydrophobicContact CB-CB 4.23Å; E239-R243 PolarHBondContact O-N 2.79Å; E239-R243 VanDerWaalsContact O-N 3.12Å; E239-R243 IonicContact OE1-NH1 2.8Å; E239-R243 WeakPolarHBondContact OE2-CD 3.33Å; E239-R243 IonicContact OE2-CZ 2.96Å; E239-R243 IonicContact OE2-NE 3.89Å; E239-R243 IonicContact OE2-NH1 3.84Å; E239-R243 PolarHBondContact OE2-NH1 3.14Å; E241-R243 PolarHBondContact O-N 2.9Å; R243-F246 PolarHBondContact O-N 3Å; R243-M247 HydrophobicContact CG-SD 4.05Å; R243-M247 WeakPolarHBondContact O-CB 3.4Å; R243-M247 VanDerWaalsContact O-CG 3.22Å; R243-M247 WeakPolarHBondContact O-CG 3.45Å; R243-M247 PolarHBondContact O-N 3.13Å
244	S	54.6	Low	63.5	Low	94 Å²	94	69.4 Å²	69.4	66%	0.657	39%	0.386	S	S	*	.	H	α-helix	trans	-67.6	-33.6	178.6	-60.4	0	0	0	0	113.3	E241 E242	E241-S244 PolarHBondContact O-N 3.25Å; E242-S244 PolarHBondContact O-N 2.84Å
245	L	55.5	Low	63.5	Low	64 Å²	64	63.9 Å²	63.9	34%	0.335	36%	0.357	S	S	.	.	H	α-helix	trans	-70.3	-39.1	177.7	-64.5	172	0	0	0	111.4	L192 M195 E242 L249	L192-L245 HydrophobicContact CD1-CD1 4.25Å; L192-L245 HydrophobicContact CD2-CD1 4.02Å; L192-L245 HydrophobicContact CG-CD1 4.04Å; M195-L245 HydrophobicContact SD-CD1 4.09Å; M195-L245 HydrophobicContact SD-CD2 4.09Å; E242-L245 WeakPolarHBondContact O-CB 3.47Å; E242-L245 PolarHBondContact O-N 2.97Å; L245-L249 WeakPolarHBondContact O-CB 3.41Å; L245-L249 WeakPolarHBondContact O-CD1 3.47Å; L245-L249 WeakPolarHBondContact O-CG 3.44Å
246	F	58.8	Low	63.3	Low	11 Å²	11	61.8 Å²	61.8	5%	0.048	35%	0.348	C	S	.	.	H	α-helix	trans	-80.1	-22.8	176.8	-70.6	-70.7	0	0	0	113.7	L192 L228 E242 R243 G248 A253 L267	L192-F246 HydrophobicContact CD1-CZ 4.47Å; L192-F246 HydrophobicContact CD2-CE2 4.09Å; L228-F246 HydrophobicContact CD1-CB 3.73Å; L228-F246 HydrophobicContact CD1-CD2 4.46Å; L228-F246 HydrophobicContact CD1-CG 4.35Å; L228-F246 HydrophobicContact CD2-CD2 3.77Å; L228-F246 HydrophobicContact CD2-CE2 4.3Å; L228-F246 HydrophobicContact CD2-CG 4.24Å; E242-F246 WeakPolarHBondContact O-CD2 3.44Å; E242-F246 PolarHBondContact O-N 2.75Å; R243-F246 PolarHBondContact O-N 3Å; F246-G248 PolarHBondContact O-N 3.39Å; F246-A253 HydrophobicContact CE1-CB 3.8Å; F246-A253 HydrophobicContact CZ-CB 4.1Å; F246-L267 HydrophobicContact CE2-CD2 3.73Å; F246-L267 HydrophobicContact CE2-CG 4.45Å; F246-L267 HydrophobicContact CZ-CD2 4.16Å; F246-L267 HydrophobicContact CZ-CG 4.42Å
247	M	50.7	Low	63.2	Low	139 Å²	139	54.1 Å²	54.1	69%	0.685	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	55.7	174.3	-76.4	178.7	58	0	0	113.1	R243	R243-M247 HydrophobicContact CG-SD 4.05Å; R243-M247 WeakPolarHBondContact O-CB 3.4Å; R243-M247 VanDerWaalsContact O-CG 3.22Å; R243-M247 WeakPolarHBondContact O-CG 3.45Å; R243-M247 PolarHBondContact O-N 3.13Å
248	G	49.4	Very low	63	Low	74 Å²	74	53.4 Å²	53.4	76%	0.763	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	164.2	-24.5	174.3	0	0	0	0	0	114.1	F246	F246-G248 PolarHBondContact O-N 3.39Å
249	L	52	Low	63	Low	60 Å²	60	49.9 Å²	49.9	31%	0.314	29%	0.291	S	S	.	.			trans	-86.1	119.2	175.6	-69.4	176.4	0	0	0	111.5	M195 L245 A251	M195-L249 HydrophobicContact CE-CD1 4.3Å; L245-L249 WeakPolarHBondContact O-CB 3.41Å; L245-L249 WeakPolarHBondContact O-CD1 3.47Å; L245-L249 WeakPolarHBondContact O-CG 3.44Å; L249-A251 HydrophobicContact CB-CB 4.02Å; L249-A251 PolarHBondContact O-N 2.81Å
250	S	58	Low	63	Low	53 Å²	53	53.9 Å²	53.9	37%	0.371	31%	0.31	S	S	.	.			trans	-74	65.2	162.7	60.8	0	0	0	0	110.1	C204	C204-S250 PolarHBondContact N-OG 3.16Å
251	A	65.4	Low	63.3	Low	12 Å²	12	55.9 Å²	55.9	10%	0.099	31%	0.306	C	S	.	.			trans	-116.6	144.4	-176	0	0	0	0	0	111.2	F212 L249	F212-A251 WeakPolarHBondContact CE1-O 3.39Å; F212-A251 VanDerWaalsContact CZ-O 3.3Å; F212-A251 WeakPolarHBondContact CZ-O 3.39Å; L249-A251 HydrophobicContact CB-CB 4.02Å; L249-A251 PolarHBondContact O-N 2.81Å
252	S	76.9	Confident	63.4	Low	8 Å²	8	51.5 Å²	51.5	6%	0.056	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	148.5	174.2	-62.1	0	0	0	0	110.8	L211 M270	L211-S252 PolarHBondContact N-OG 3.15Å; L211-S252 CarbonylContact O-C 3.52Å; L211-S252 WeakPolarHBondContact O-CA 3.32Å; L211-S252 VanDerWaalsContact O-CB 3.24Å; L211-S252 WeakPolarHBondContact O-CB 3.35Å; S252-M270 PolarHBondContact O-N 3.12Å
253	A	80.8	Confident	63.6	Low	0 Å²	0	51.6 Å²	51.6	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	146.6	-178.8	0	0	0	0	0	112.1	L211 F212 L213 F227 F246 L267 L268	L211-A253 PolarHBondContact O-N 3.35Å; F212-A253 WeakPolarHBondContact CA-O 3.39Å; F212-A253 HydrophobicContact CD1-CB 4.28Å; L213-A253 PolarHBondContact N-O 3.08Å; F227-A253 HydrophobicContact CE1-CB 3.77Å; F227-A253 HydrophobicContact CZ-CB 4.44Å; F246-A253 HydrophobicContact CE1-CB 3.8Å; F246-A253 HydrophobicContact CZ-CB 4.1Å; A253-L267 HydrophobicContact CB-CD1 4.17Å; A253-L268 WeakPolarHBondContact CA-O 3.14Å
254	V	81.5	Confident	63.9	Low	0 Å²	0	55.4 Å²	55.4	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	139	178.8	63.9	0	0	0	0	110.9	L163 L189 L213 L215 L256 L268 M270	L163-V254 HydrophobicContact CD1-CB 4.18Å; L163-V254 HydrophobicContact CD1-CG1 4.22Å; L163-V254 HydrophobicContact CD1-CG2 3.83Å; L189-V254 HydrophobicContact CD1-CG1 4.09Å; L189-V254 HydrophobicContact CD2-CG1 3.69Å; L213-V254 HydrophobicContact CB-CB 4.35Å; L213-V254 HydrophobicContact CB-CG2 4.01Å; L213-V254 CarbonylContact O-C 3.56Å; L213-V254 VanDerWaalsContact O-CA 3.3Å; L213-V254 WeakPolarHBondContact O-CA 3.15Å; L215-V254 HydrophobicContact CD1-CG2 3.56Å; L215-V254 HydrophobicContact CG-CG2 3.7Å; V254-L256 HydrophobicContact CG1-CD1 4.12Å; V254-L256 HydrophobicContact CG2-CD1 4.34Å; V254-L256 HydrophobicContact CG2-CG 4.06Å; V254-L268 HydrophobicContact CG1-CB 4.01Å; V254-L268 PolarHBondContact N-O 3.27Å; V254-L268 PolarHBondContact O-N 3.3Å; V254-M270 HydrophobicContact CB-CG 4.11Å; V254-M270 HydrophobicContact CB-SD 3.72Å; V254-M270 HydrophobicContact CG1-CG 3.89Å; V254-M270 HydrophobicContact CG1-SD 4.17Å
255	L	81.2	Confident	64.7	Low	0 Å²	0	52.5 Å²	52.5	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	118.2	166.8	-161.1	75.1	0	0	0	110.1	L213 L215 L216 F227 H235 I237 A265 L266 L267	L213-L255 PolarHBondContact O-N 3.1Å; L215-L255 WeakPolarHBondContact CB-O 3.35Å; L215-L255 PolarHBondContact N-O 3.04Å; L216-L255 HydrophobicContact CD1-CD2 3.8Å; L216-L255 HydrophobicContact CD1-CG 4.24Å; L216-L255 HydrophobicContact CG-CD2 4.48Å; F227-L255 HydrophobicContact CE2-CB 4.23Å; F227-L255 HydrophobicContact CZ-CB 4.16Å; H235-L255 HydrophobicContact CB-CD2 4.03Å; H235-L255 WeakPolarHBondContact CD2-CD2 3.41Å; I237-L255 HydrophobicContact CD1-CD1 3.24Å; I237-L255 HydrophobicContact CD1-CD2 4.13Å; I237-L255 HydrophobicContact CD1-CG 4.3Å; L255-A265 HydrophobicContact CD1-CB 4.1Å; L255-A265 HydrophobicContact CD2-CB 4.13Å; L255-A265 HydrophobicContact CG-CB 4.19Å; L255-L266 WeakPolarHBondContact CA-O 3.43Å; L255-L266 WeakPolarHBondContact CD1-O 3.28Å; L255-L267 HydrophobicContact CD1-CB 3.96Å; L255-L267 HydrophobicContact CD1-CD1 4.43Å
256	L	75.8	Confident	65.6	Low	3 Å²	3	52.5 Å²	52.5	2%	0.016	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	153	-177.8	-89.6	163	0	0	0	111	Y110 I160 L189 L215 V254 L266 L268	Y110-L256 HydrophobicContact CE1-CD2 3.98Å; I160-L256 HydrophobicContact CB-CD1 4.29Å; I160-L256 HydrophobicContact CD1-CD1 3.93Å; I160-L256 HydrophobicContact CD1-CD2 3.64Å; I160-L256 HydrophobicContact CD1-CG 4.36Å; I160-L256 HydrophobicContact CG2-CD1 4.23Å; L189-L256 HydrophobicContact CD1-CD1 3.54Å; L215-L256 HydrophobicContact CB-CD2 4.22Å; L215-L256 HydrophobicContact CD1-CD2 3.54Å; L215-L256 HydrophobicContact CD1-CG 3.97Å; L215-L256 HydrophobicContact CG-CD2 4.43Å; V254-L256 HydrophobicContact CG1-CD1 4.12Å; V254-L256 HydrophobicContact CG2-CD1 4.34Å; V254-L256 HydrophobicContact CG2-CG 4.06Å; L256-L266 PolarHBondContact N-O 3.04Å; L256-L266 PolarHBondContact O-N 3.12Å; L256-L268 HydrophobicContact CD1-CD1 4.11Å
257	P	69.7	Low	66.6	Low	26 Å²	26	52.9 Å²	52.9	17%	0.169	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	137.1	164.6	28.1	-28.5	0	0	0	110.5	L216 F259 R264	L216-P257 HydrophobicContact CD2-CB 3.68Å; L216-P257 HydrophobicContact CD2-CG 3.96Å; P257-F259 HydrophobicContact CG-CE1 4.37Å; P257-F259 HydrophobicContact CG-CE2 3.79Å; P257-F259 HydrophobicContact CG-CZ 3.67Å; P257-F259 VanDerWaalsContact O-CD2 3.32Å; P257-F259 WeakPolarHBondContact O-CD2 3.21Å; P257-F259 WeakPolarHBondContact O-CE2 3.45Å; P257-F259 PolarHBondContact O-N 3.16Å; P257-R264 CarbonylContact C-O 3.53Å
258	D	69.2	Low	67.9	Low	16 Å²	16	47 Å²	47	9%	0.086	29%	0.289	C	S	.	.			trans	-73.8	111.3	166.6	-163.1	-33.6	0	0	0	109.7	E260 N261 G263 R264 L266	D258-E260 VanDerWaalsContact C-N 3.32Å; D258-E260 WeakPolarHBondContact OD1-CA 3.33Å; D258-E260 PolarHBondContact OD1-N 3.24Å; D258-N261 HydrophobicContact CB-CB 4.47Å; D258-N261 PolarHBondContact OD1-N 2.94Å; D258-N261 VanDerWaalsContact OD2-CB 3.3Å; D258-N261 WeakPolarHBondContact OD2-CB 3.49Å; D258-N261 PolarHBondContact OD2-ND2 3.48Å; D258-G263 VanDerWaalsContact O-CA 3.24Å; D258-G263 WeakPolarHBondContact O-CA 3.43Å; D258-G263 PolarHBondContact O-N 3.38Å; D258-R264 HydrophobicContact CB-CB 4.19Å; D258-R264 WeakPolarHBondContact CB-O 3.49Å; D258-R264 PolarHBondContact N-O 3.26Å; D258-L266 HydrophobicContact CB-CD1 3.84Å; D258-L266 HydrophobicContact CB-CD2 4.39Å; D258-L266 HydrophobicContact CB-CG 3.84Å
259	F	63.3	Low	69.3	Low	67 Å²	67	45.6 Å²	45.6	29%	0.294	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-13.9	177.4	-65.8	-84.1	0	0	0	113.1	Y110 L155 P156 I160 P257	Y110-F259 HydrophobicContact CE1-CE2 4.32Å; Y110-F259 HydrophobicContact CE1-CZ 4.31Å; Y110-F259 HydrophobicContact CE2-CZ 4.35Å; L155-F259 HydrophobicContact CD1-CD1 4.46Å; L155-F259 HydrophobicContact CD1-CE1 3.87Å; L155-F259 HydrophobicContact CG-CD1 4.37Å; L155-F259 HydrophobicContact CG-CE1 4.25Å; P156-F259 HydrophobicContact CG-CD1 3.96Å; P156-F259 HydrophobicContact CG-CD2 3.72Å; P156-F259 HydrophobicContact CG-CE1 3.87Å; P156-F259 HydrophobicContact CG-CE2 3.62Å; P156-F259 HydrophobicContact CG-CG 3.89Å; P156-F259 HydrophobicContact CG-CZ 3.68Å; I160-F259 HydrophobicContact CD1-CD2 4.3Å; I160-F259 HydrophobicContact CD1-CE2 3.78Å; P257-F259 HydrophobicContact CG-CE1 4.37Å; P257-F259 HydrophobicContact CG-CE2 3.79Å; P257-F259 HydrophobicContact CG-CZ 3.67Å; P257-F259 VanDerWaalsContact O-CD2 3.32Å; P257-F259 WeakPolarHBondContact O-CD2 3.21Å; P257-F259 WeakPolarHBondContact O-CE2 3.45Å; P257-F259 PolarHBondContact O-N 3.16Å
260	E	58.7	Low	70.6	Confident	120 Å²	120	43.1 Å²	43.1	56%	0.561	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.7	-48.5	179.5	-58.9	-169	141	0	0	111.2	P159 D258 G262	P159-E260 WeakPolarHBondContact CD-OE1 3.32Å; D258-E260 VanDerWaalsContact C-N 3.32Å; D258-E260 WeakPolarHBondContact OD1-CA 3.33Å; D258-E260 PolarHBondContact OD1-N 3.24Å; E260-G262 VanDerWaalsContact C-N 3.31Å; E260-G262 PolarHBondContact O-N 2.99Å
261	N	60	Low	71.6	Confident	105 Å²	105	43.4 Å²	43.4	56%	0.561	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.9	34.5	-177.7	-55.8	-73.1	0	0	0	114.4	D258	D258-N261 HydrophobicContact CB-CB 4.47Å; D258-N261 PolarHBondContact OD1-N 2.94Å; D258-N261 VanDerWaalsContact OD2-CB 3.3Å; D258-N261 WeakPolarHBondContact OD2-CB 3.49Å; D258-N261 PolarHBondContact OD2-ND2 3.48Å
262	G	56.3	Low	72.1	Confident	75 Å²	75	47.2 Å²	47.2	77%	0.773	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.5	35.5	166.7	0	0	0	0	0	116.1	E260	E260-G262 VanDerWaalsContact C-N 3.31Å; E260-G262 PolarHBondContact O-N 2.99Å
263	G	60	Low	72	Confident	50 Å²	50	48.2 Å²	48.2	52%	0.515	27%	0.268	S	S	.	.	S	Bend	trans	85.1	16.2	171.4	0	0	0	0	0	115.5	D258	D258-G263 VanDerWaalsContact O-CA 3.24Å; D258-G263 WeakPolarHBondContact O-CA 3.43Å; D258-G263 PolarHBondContact O-N 3.38Å
264	R	65	Low	71.6	Confident	187 Å²	187	52.2 Å²	52.2	71%	0.706	29%	0.293	S	S	*	.	P	Polyproline II helix	trans	-59.9	150.7	171.4	-69.7	-177.8	176.5	-152.1	-2.3	111	P257 D258 L266	P257-R264 CarbonylContact C-O 3.53Å; D258-R264 HydrophobicContact CB-CB 4.19Å; D258-R264 WeakPolarHBondContact CB-O 3.49Å; D258-R264 PolarHBondContact N-O 3.26Å; R264-L266 PolarHBondContact O-N 3.41Å
265	A	70.3	Confident	70.9	Confident	32 Å²	32	55.5 Å²	55.5	26%	0.264	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	118.5	175.2	0	0	0	0	0	110.1	L216 H235 I237 L255	L216-A265 HydrophobicContact CD1-CB 3.68Å; H235-A265 HydrophobicContact CB-CB 4.26Å; I237-A265 HydrophobicContact CD1-CB 3.93Å; I237-A265 HydrophobicContact CG1-CB 4.4Å; L255-A265 HydrophobicContact CD1-CB 4.1Å; L255-A265 HydrophobicContact CD2-CB 4.13Å; L255-A265 HydrophobicContact CG-CB 4.19Å
266	L	74.4	Confident	69.7	Low	65 Å²	65	60.3 Å²	60.3	34%	0.34	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	120.1	172.9	-64.7	176.7	0	0	0	109.9	L255 L256 D258 R264 L268	L255-L266 WeakPolarHBondContact CA-O 3.43Å; L255-L266 WeakPolarHBondContact CD1-O 3.28Å; L256-L266 PolarHBondContact N-O 3.04Å; L256-L266 PolarHBondContact O-N 3.12Å; D258-L266 HydrophobicContact CB-CD1 3.84Å; D258-L266 HydrophobicContact CB-CD2 4.39Å; D258-L266 HydrophobicContact CB-CG 3.84Å; R264-L266 PolarHBondContact O-N 3.41Å; L266-L268 HydrophobicContact CB-CD1 4.42Å; L266-L268 HydrophobicContact CB-CG 4.19Å
267	L	79.2	Confident	68.5	Low	18 Å²	18	66.9 Å²	66.9	9%	0.094	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	113.7	166.6	-179	55.5	0	0	0	109.2	F227 E242 F246 A253 L255	F227-L267 HydrophobicContact CE1-CD1 3.62Å; F227-L267 HydrophobicContact CZ-CD1 3.78Å; E242-L267 WeakPolarHBondContact OE2-CD2 3.35Å; F246-L267 HydrophobicContact CE2-CD2 3.73Å; F246-L267 HydrophobicContact CE2-CG 4.45Å; F246-L267 HydrophobicContact CZ-CD2 4.16Å; F246-L267 HydrophobicContact CZ-CG 4.42Å; A253-L267 HydrophobicContact CB-CD1 4.17Å; L255-L267 HydrophobicContact CD1-CB 3.96Å; L255-L267 HydrophobicContact CD1-CD1 4.43Å
268	L	79.3	Confident	67.4	Low	17 Å²	17	66.1 Å²	66.1	9%	0.089	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	133.2	-177.1	-63.6	172.5	0	0	0	110.2	L189 P191 A253 V254 L256 L266	L189-L268 HydrophobicContact CB-CB 4.31Å; L189-L268 HydrophobicContact CB-CD1 4.19Å; L189-L268 HydrophobicContact CD1-CD1 3.96Å; P191-L268 HydrophobicContact CB-CD2 4.42Å; P191-L268 HydrophobicContact CG-CD2 4.19Å; A253-L268 WeakPolarHBondContact CA-O 3.14Å; V254-L268 HydrophobicContact CG1-CB 4.01Å; V254-L268 PolarHBondContact N-O 3.27Å; V254-L268 PolarHBondContact O-N 3.3Å; L256-L268 HydrophobicContact CD1-CD1 4.11Å; L266-L268 HydrophobicContact CB-CD1 4.42Å; L266-L268 HydrophobicContact CB-CG 4.19Å
269	R	78.9	Confident	66.2	Low	44 Å²	44	73 Å²	73	17%	0.166	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	137.8	172.8	-175.6	175.2	179.4	-127.4	0.6	109.3	L189 E190 M195	L189-R269 WeakPolarHBondContact CA-O 3.32Å; E190-R269 PolarHBondContact N-O 3.19Å; E190-R269 PolarHBondContact O-N 2.76Å; M195-R269 VanDerWaalsContact CE-CD 3.4Å
270	M	79.7	Confident	65.1	Low	7 Å²	7	74.3 Å²	74.3	3%	0.034	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	113.9	177.8	-62.9	166.6	62.9	0	0	109.7	L163 F187 L189 L211 L213 S252 V254	L163-M270 HydrophobicContact CD2-CE 4.19Å; F187-M270 HydrophobicContact CB-CB 4.02Å; F187-M270 HydrophobicContact CB-CE 4.14Å; F187-M270 HydrophobicContact CB-CG 4.43Å; F187-M270 HydrophobicContact CD1-CB 3.65Å; F187-M270 HydrophobicContact CD1-CE 3.77Å; F187-M270 HydrophobicContact CD2-CE 3.25Å; F187-M270 HydrophobicContact CE1-CB 4.26Å; F187-M270 HydrophobicContact CE1-CE 3.84Å; F187-M270 HydrophobicContact CE2-CE 3.33Å; F187-M270 HydrophobicContact CG-CB 3.97Å; F187-M270 HydrophobicContact CG-CE 3.45Å; F187-M270 VanDerWaalsContact CG-CE 3.45Å; F187-M270 HydrophobicContact CZ-CE 3.61Å; L189-M270 HydrophobicContact CD2-CB 4.49Å; L189-M270 HydrophobicContact CD2-CG 3.76Å; L211-M270 HydrophobicContact CB-CE 4.24Å; L213-M270 HydrophobicContact CD1-CE 4.04Å; L213-M270 HydrophobicContact CD1-SD 4.32Å; S252-M270 PolarHBondContact O-N 3.12Å; V254-M270 HydrophobicContact CB-CG 4.11Å; V254-M270 HydrophobicContact CB-SD 3.72Å; V254-M270 HydrophobicContact CG1-CG 3.89Å; V254-M270 HydrophobicContact CG1-SD 4.17Å
271	E	78.1	Confident	64.3	Low	60 Å²	60	72.5 Å²	72.5	28%	0.28	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	119.7	173	178.2	177.8	-137	0	0	109.5	F187 K188 V273	F187-E271 CarbonylContact C-O 3.59Å; F187-E271 VanDerWaalsContact CA-O 3.23Å; F187-E271 WeakPolarHBondContact CA-O 3.47Å; K188-E271 HydrophobicContact CB-CB 4.43Å; K188-E271 PolarHBondContact N-O 3.44Å; K188-E271 IonicContact NZ-OE2 3.46Å; K188-E271 PolarHBondContact NZ-OE2 3.34Å; K188-E271 PolarHBondContact O-N 3.2Å; E271-V273 PolarHBondContact O-N 2.9Å
272	D	75.6	Confident	63.4	Low	91 Å²	91	70.1 Å²	70.1	49%	0.487	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	119.9	176.8	-93.8	-67.6	0	0	0	110.9	R185 F187	R185-D272 IonicContact NH1-OD2 2.75Å; F187-D272 HydrophobicContact CD1-CB 4.49Å; F187-D272 HydrophobicContact CE1-CB 4.42Å; F187-D272 VanDerWaalsContact CE1-OD1 3.25Å; F187-D272 WeakPolarHBondContact CE1-OD1 3.35Å; F187-D272 VanDerWaalsContact CE1-OD2 3.3Å; F187-D272 WeakPolarHBondContact CE1-OD2 3.25Å
273	V	75.5	Confident	62.6	Low	30 Å²	30	70.1 Å²	70.1	18%	0.182	37%	0.372	C	S	.	.			trans	-112.7	135.7	-179.8	-179.1	0	0	0	0	110.5	H186 K188 E271 W275 R277	H186-V273 PolarHBondContact O-N 2.87Å; K188-V273 HydrophobicContact CB-CG2 3.66Å; E271-V273 PolarHBondContact O-N 2.9Å; V273-W275 PolarHBondContact O-N 3.25Å; V273-R277 HydrophobicContact CG1-CB 4.43Å
274	P	72	Confident	61.7	Low	83 Å²	83	74 Å²	74	54%	0.539	37%	0.374	S	S	.	.			trans	-57.5	122	174.1	-25.9	35.2	0	0	0	112.7	S276 R277	P274-S276 PolarHBondContact O-N 2.88Å; P274-R277 VanDerWaalsContact O-CB 3.31Å; P274-R277 WeakPolarHBondContact O-CB 3.18Å; P274-R277 PolarHBondContact O-N 3.23Å
275	W	67	Low	60.4	Low	69 Å²	69	69.4 Å²	69.4	26%	0.261	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-52.5	-35.2	-174.9	-165.8	-74.5	0	0	0	113.7	R164 W166 R184 H186 V273 R277 C278	R164-W275 HydrophobicContact CB-CH2 4.34Å; R164-W275 HydrophobicContact CG-CH2 4.15Å; R164-W275 HydrophobicContact CG-CZ3 4.48Å; W166-W275 AromaticContact CE2-CH2 3.93Å; W166-W275 HydrophobicContact CZ2-CH2 4.03Å; W166-W275 HydrophobicContact CZ2-CZ2 4.43Å; W166-W275 AromaticContact NE1-CH2 3.57Å; R184-W275 HydrophobicContact CB-CE3 4.34Å; R184-W275 HydrophobicContact CB-CZ3 4.02Å; R184-W275 HydrophobicContact CG-CE3 4.28Å; R184-W275 HydrophobicContact CG-CZ3 4.45Å; H186-W275 HydrophobicContact CB-CE3 3.82Å; H186-W275 HydrophobicContact CB-CZ3 4.2Å; V273-W275 PolarHBondContact O-N 3.25Å; W275-R277 PolarHBondContact O-N 2.75Å; W275-R277 VanDerWaalsContact O-N 3.16Å; W275-C278 PolarHBondContact O-N 3.37Å
276	S	55.4	Low	59	Low	102 Å²	102	74.4 Å²	74.4	71%	0.713	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-66.4	-9.8	179.2	50.3	0	0	0	0	115.2	P274	P274-S276 PolarHBondContact O-N 2.88Å
277	R	51	Low	57.3	Low	141 Å²	141	78.1 Å²	78.1	53%	0.532	41%	0.414	S	S	.	.	G	3₁₀ helix	trans	-83.6	-24.7	178.8	-156.2	174	-171.7	139.8	5.5	113	V273 P274 W275 N280 E281	V273-R277 HydrophobicContact CG1-CB 4.43Å; P274-R277 VanDerWaalsContact O-CB 3.31Å; P274-R277 WeakPolarHBondContact O-CB 3.18Å; P274-R277 PolarHBondContact O-N 3.23Å; W275-R277 PolarHBondContact O-N 2.75Å; W275-R277 VanDerWaalsContact O-N 3.16Å; R277-N280 PolarHBondContact O-N 2.95Å; R277-E281 WeakPolarHBondContact CG-OE1 3.21Å; R277-E281 IonicContact CZ-OE1 3.65Å; R277-E281 IonicContact NE-OE1 2.76Å; R277-E281 PolarHBondContact NE-OE1 3.2Å; R277-E281 IonicContact NE-OE2 3.18Å; R277-E281 IonicContact NH2-OE1 3.67Å; R277-E281 PolarHBondContact O-N 3.19Å
278	C	46.7	Very low	55.2	Low	9 Å²	9	86.1 Å²	86.1	6%	0.061	45%	0.451	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-45	-162.9	-163.5	0	0	0	0	113.9	R164 H186 W275 N280 E281 L282	R164-C278 PolarHBondContact NH2-SG 3.49Å; H186-C278 PolarHBondContact CE1-SG 3.06Å; W275-C278 PolarHBondContact O-N 3.37Å; C278-N280 PolarHBondContact O-N 3.16Å; C278-E281 PolarHBondContact O-N 3.49Å; C278-L282 PolarHBondContact O-N 2.98Å
279	E	44.9	Very low	53	Low	161 Å²	161	92.2 Å²	92.2	75%	0.752	48%	0.483	S	S	*	.	H	α-helix	trans	-60.3	-28.5	178.7	-63.2	178	161.9	0	0	112.9	A283	E279-A283 WeakPolarHBondContact O-CB 3.17Å
280	N	38.3	Very low	50.9	Low	94 Å²	94	96.5 Å²	96.5	50%	0.503	52%	0.515	S	S	.	.	H	α-helix	trans	-94.2	-1.4	-176.4	-84.1	-78.3	0	0	0	114.4	R277 C278 K284	R277-N280 PolarHBondContact O-N 2.95Å; C278-N280 PolarHBondContact O-N 3.16Å; N280-K284 WeakPolarHBondContact O-CD 3.44Å; N280-K284 WeakPolarHBondContact O-CE 3.31Å; N280-K284 WeakPolarHBondContact O-CG 3.31Å; N280-K284 PolarHBondContact O-NZ 2.95Å
281	E	42.1	Very low	48.7	Very low	82 Å²	82	102.5 Å²	102.5	38%	0.383	55%	0.551	S	S	.	*	H	α-helix	trans	-117.2	-33.6	175.9	-71.8	-179.1	-170.2	0	0	111.6	R277 C278 A283 K284	R277-E281 WeakPolarHBondContact CG-OE1 3.21Å; R277-E281 IonicContact CZ-OE1 3.65Å; R277-E281 IonicContact NE-OE1 2.76Å; R277-E281 PolarHBondContact NE-OE1 3.2Å; R277-E281 IonicContact NE-OE2 3.18Å; R277-E281 IonicContact NH2-OE1 3.67Å; R277-E281 PolarHBondContact O-N 3.19Å; C278-E281 PolarHBondContact O-N 3.49Å; E281-A283 PolarHBondContact O-N 3.06Å; E281-K284 PolarHBondContact O-N 3.48Å
282	L	42.8	Very low	46.6	Very low	56 Å²	56	107.1 Å²	107.1	29%	0.293	58%	0.578	S	S	.	*	H	α-helix	trans	-64.3	-24.3	166.8	-91.1	67.9	0	0	0	113	Y162 C278	Y162-L282 HydrophobicContact CE2-CD1 4.31Å; C278-L282 PolarHBondContact O-N 2.98Å
283	A	38.7	Very low	44.5	Very low	74 Å²	74	111 Å²	111	61%	0.612	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.6	14.4	177.7	0	0	0	0	0	113.8	E279 E281	E279-A283 WeakPolarHBondContact O-CB 3.17Å; E281-A283 PolarHBondContact O-N 3.06Å
284	K	40.6	Very low	42.5	Very low	131 Å²	131	117.5 Å²	117.5	57%	0.57	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.3	-4.2	-177.3	-71.1	-173.7	-168	146.4	0	115.4	N280 E281 D286	N280-K284 WeakPolarHBondContact O-CD 3.44Å; N280-K284 WeakPolarHBondContact O-CE 3.31Å; N280-K284 WeakPolarHBondContact O-CG 3.31Å; N280-K284 PolarHBondContact O-NZ 2.95Å; E281-K284 PolarHBondContact O-N 3.48Å; K284-D286 PolarHBondContact O-N 2.58Å
285	S	38.8	Very low	40.6	Very low	91 Å²	91	121.1 Å²	121.1	64%	0.636	63%	0.634	S	S	*	*	S	Bend	trans	-69.3	-19	176.2	44.3	0	0	0	0	113.9
286	D	39.8	Very low	38.8	Very low	138 Å²	138	123.5 Å²	123.5	74%	0.738	66%	0.658	S	S	*	*	S	Bend	trans	-108.6	-16.8	-157.9	-63.6	12.4	0	0	0	114	K284	K284-D286 PolarHBondContact O-N 2.58Å
287	D	38.7	Very low	37.4	Very low	143 Å²	143	127.2 Å²	127.2	77%	0.765	66%	0.661	S	S	*	*			trans	-119.9	5.3	-165.7	-90.2	-42.6	0	0	0	116	N289	D287-N289 PolarHBondContact O-N 3.03Å
288	E	35.5	Very low	36.3	Very low	185 Å²	185	126.2 Å²	126.2	86%	0.864	67%	0.673	S	S	*	*			trans	-80.1	62.3	173.3	-72.4	-142.7	139.1	0	0	113
289	N	33.3	Very low	35.4	Very low	145 Å²	145	130.8 Å²	130.8	78%	0.775	71%	0.705	S	S	*	*	S	Bend	trans	-153.5	149.8	157.4	-114.5	-62	0	0	0	114.1	D287	D287-N289 PolarHBondContact O-N 3.03Å
290	T	34.8	Very low	34.5	Very low	135 Å²	135	128.4 Å²	128.4	83%	0.828	71%	0.707	S	S	*	*			trans	57	88.2	177.7	41	0	0	0	0	117.8	N292	T290-N292 PolarHBondContact O-N 3.37Å
291	V	33.1	Very low	34.1	Very low	132 Å²	132	130.7 Å²	130.7	80%	0.8	72%	0.724	S	S	*	*			trans	-58.1	125.1	162.1	172.5	0	0	0	0	112
292	N	33.4	Very low	33.4	Very low	157 Å²	157	133 Å²	133	84%	0.84	74%	0.743	S	S	*	*			trans	-158.5	159.5	132.6	-117	-46.6	0	0	0	114.5	T290	T290-N292 PolarHBondContact O-N 3.37Å
293	K	31.2	Very low	32.6	Very low	174 Å²	174	134.4 Å²	134.4	76%	0.757	76%	0.763	S	S	*	*			trans	-90.9	134.4	-168.2	-61	166.1	-178.3	171.6	0	112.3
294	N	35.2	Very low	32.1	Very low	165 Å²	165	135.5 Å²	135.5	88%	0.882	77%	0.772	S	S	*	*				-178.5	138.7	123.3	-86.4	-24.4	0	0	0	111.3
295	E	30.7	Very low	31.5	Very low	159 Å²	159	137.7 Å²	137.7	74%	0.743	78%	0.784	S	S	*	*			trans	-79.2	160.4	176.7	-120.4	-165.5	124.4	0	0	111.4
296	P	30.4	Very low	30.9	Very low	120 Å²	120	140.3 Å²	140.3	78%	0.779	79%	0.79	S	S	*	*				-144.7	159.4	60.9	38.3	-18.7	0	0	0	118.9
297	K	25	Very low	30.4	Very low	179 Å²	179	138.9 Å²	138.9	78%	0.778	79%	0.788	S	S	*	*			trans	-34	144.2	166.9	-105.4	170.2	178	163.7	0	118.3
298	P	28.4	Very low	29.8	Very low	120 Å²	120	139 Å²	139	78%	0.779	79%	0.788	S	S	*	*			trans	-120.8	164	138.3	36.5	-27.6	0	0	0	114.4
299	S	27.2	Very low	29.4	Very low	105 Å²	105	136.8 Å²	136.8	73%	0.734	79%	0.787	S	S	*	*			trans	-49	146.2	-174.5	48.8	0	0	0	0	119.2
300	S	26.7	Very low	29.2	Very low	112 Å²	112	140 Å²	140	78%	0.783	79%	0.788	S	S	*	*			trans	-25.5	122.9	160.7	53.9	0	0	0	0	117.5
301	V	29.1	Very low	28.8	Very low	142 Å²	142	138.8 Å²	138.8	86%	0.861	79%	0.785	S	S	*	*			trans	-104.5	135.1	151.9	178.5	0	0	0	0	107.4
302	V	27.9	Very low	28.9	Very low	129 Å²	129	142 Å²	142	78%	0.782	79%	0.788	S	S	*	*			trans	-85.8	124.9	-178.1	176.8	0	0	0	0	109.6	A304	V302-A304 PolarHBondContact O-N 2.68Å
303	A	25.9	Very low	28.7	Very low	86 Å²	86	142 Å²	142	71%	0.711	79%	0.788	S	S	*	*			trans	-66.1	124.7	171.5	0	0	0	0	0	110.2	E305	A303-E305 PolarHBondContact O-N 2.79Å
304	A	27.5	Very low	28.9	Very low	98 Å²	98	141 Å²	141	81%	0.81	79%	0.791	S	S	*	*			trans	-86.4	82.9	-179.1	0	0	0	0	0	110.8	V302 I306	V302-A304 PolarHBondContact O-N 2.68Å; A304-I306 PolarHBondContact O-N 3.07Å
305	E	28.6	Very low	28.8	Very low	176 Å²	176	142.7 Å²	142.7	82%	0.822	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-59.4	123.3	169.5	-68.9	-165.9	135.7	0	0	110.5	A303 P307	A303-E305 PolarHBondContact O-N 2.79Å; E305-P307 VanDerWaalsContact O-CD 3.24Å; E305-P307 WeakPolarHBondContact O-CD 3.11Å
306	I	27.4	Very low	28.8	Very low	146 Å²	146	140.4 Å²	140.4	75%	0.749	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-65.5	117.7	172.2	-59.8	175.4	0	0	0	108	A304 L308	A304-I306 PolarHBondContact O-N 3.07Å; I306-L308 PolarHBondContact O-N 2.91Å; I306-L308 VanDerWaalsContact O-N 3.15Å
307	P	27.8	Very low	28.8	Very low	108 Å²	108	143.8 Å²	143.8	70%	0.701	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-66.7	116.6	-173.6	-22.9	35	0	0	0	112.3	E305 V309	E305-P307 VanDerWaalsContact O-CD 3.24Å; E305-P307 WeakPolarHBondContact O-CD 3.11Å; P307-V309 PolarHBondContact O-N 2.83Å
308	L	26.6	Very low	29.1	Very low	145 Å²	145	138.8 Å²	138.8	76%	0.759	78%	0.776	S	S	*	*			trans	-68.6	100.1	169.7	-175.3	74.4	0	0	0	109.1	I306 R310	I306-L308 PolarHBondContact O-N 2.91Å; I306-L308 VanDerWaalsContact O-N 3.15Å; L308-R310 VanDerWaalsContact C-N 3.33Å; L308-R310 PolarHBondContact O-N 3.46Å
309	V	27.6	Very low	29	Very low	140 Å²	140	138.8 Å²	138.8	85%	0.848	78%	0.777	S	S	*	*			trans	-68.4	84.3	-173.7	-174.7	0	0	0	0	111.6	P307	P307-V309 PolarHBondContact O-N 2.83Å
310	R	27.9	Very low	28.9	Very low	212 Å²	212	141.8 Å²	141.8	80%	0.8	78%	0.78	S	S	*	*			trans	-82.9	114.4	169.1	-77.4	-177.7	166.7	174.2	-3.6	110.1	L308 K312	L308-R310 VanDerWaalsContact C-N 3.33Å; L308-R310 PolarHBondContact O-N 3.46Å; R310-K312 PolarHBondContact O-N 3.14Å
311	S	27.8	Very low	29.1	Very low	109 Å²	109	146.1 Å²	146.1	76%	0.762	79%	0.788	S	S	*	*			trans	-58.4	116.8	176	-177.5	0	0	0	0	112.2
312	K	33.8	Very low	29	Very low	201 Å²	201	143.8 Å²	143.8	87%	0.874	78%	0.783	S	S	*	*			trans	-141.6	95.6	160.8	-91.1	-166.9	171.5	-173.4	0	109.1	R310	R310-K312 PolarHBondContact O-N 3.14Å
313	N	30	Very low	29	Very low	157 Å²	157	145.8 Å²	145.8	84%	0.84	79%	0.788	S	S	*	*			trans	-88.1	104	169.3	-85.7	-33.7	0	0	0	109.6
314	D	34.5	Very low	28.9	Very low	152 Å²	152	145.7 Å²	145.7	81%	0.813	79%	0.787	S	S	*	*			trans	-135.4	106	160.8	-118.4	-41.7	0	0	0	111.1
315	R	33.5	Very low	28.8	Very low	201 Å²	201	153.5 Å²	153.5	76%	0.758	80%	0.796	S	S	*	*			trans	75.2	96.4	135.9	-154.6	166.8	-169.1	163.4	6.5	122.1
316	E	31.7	Very low	28.7	Very low	110 Å²	110	154.7 Å²	154.7	51%	0.514	80%	0.798	S	S	.	*			trans	67.8	123.1	132	-64.8	-174.5	90.7	0	0	123
317	K	30.8	Very low	28.6	Very low	192 Å²	192	153.3 Å²	153.3	84%	0.835	80%	0.797	S	S	*	*			trans	75.8	133.7	139	-66	163.3	177.5	156.4	0	120
318	G	29.4	Very low	28.5	Very low	74 Å²	74	157.8 Å²	157.8	76%	0.763	81%	0.805	S	S	*	*			trans	120	75.7	176.7	0	0	0	0	0	111.8
319	C	27.2	Very low	28.3	Very low	119 Å²	119	161.1 Å²	161.1	80%	0.804	81%	0.808	S	S	*	*				75.3	102	79	-157.4	0	0	0	0	114.2
320	E	26	Very low	28.4	Very low	169 Å²	169	162 Å²	162	79%	0.79	81%	0.806	S	S	*	*			trans	25.4	114.2	153.4	-56.3	-175.6	135.9	0	0	121.1
321	Q	31.1	Very low	28.3	Very low	203 Å²	203	155.8 Å²	155.8	95%	0.949	80%	0.795	S	S	*	*				-161.5	157.2	111.8	-106.9	147.9	91.4	0	0	112.1
322	A	24.9	Very low	28.4	Very low	92 Å²	92	158.2 Å²	158.2	76%	0.76	80%	0.8	S	S	*	*			trans	-114.7	148	-167.7	0	0	0	0	0	113.3
323	I	28.1	Very low	28.2	Very low	171 Å²	171	151.7 Å²	151.7	88%	0.877	79%	0.79	S	S	*	*			trans	-131.1	141.4	154.8	-79.4	97.8	0	0	0	109
324	A	25	Very low	28.2	Very low	85 Å²	85	154 Å²	154	70%	0.702	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-66.4	143.3	-165.8	0	0	0	0	0	115.5
325	W	24.6	Very low	28	Very low	262 Å²	262	151.7 Å²	151.7	99%	0.992	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-94.4	131.1	147.5	-87.2	38.1	0	0	0	109
326	K	27.9	Very low	27.6	Very low	201 Å²	201	145.3 Å²	145.3	87%	0.874	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-103.6	121	-163.3	-167.4	176.7	-176.5	179.8	0	110.7	F328	K326-F328 PolarHBondContact O-N 3.11Å
327	T	24.8	Very low	27.4	Very low	117 Å²	117	150.6 Å²	150.6	72%	0.718	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-58.4	127.3	-179.4	-50.6	0	0	0	0	112.3	R329	T327-R329 HydrophobicContact CG2-CB 4.25Å
328	F	25.5	Very low	27.2	Very low	201 Å²	201	146.1 Å²	146.1	88%	0.882	82%	0.815	S	S	*	*			trans	-107.3	132	152.7	-122.2	-92.5	0	0	0	108.7	K326	K326-F328 PolarHBondContact O-N 3.11Å
329	R	22.7	Very low	27	Very low	215 Å²	215	152.8 Å²	152.8	81%	0.811	82%	0.823	S	S	*	*			trans	-135.8	118.5	-177.5	-175.7	-157.7	-67.1	176.9	-1.8	108.6	T327	T327-R329 HydrophobicContact CG2-CB 4.25Å
330	I	29.3	Very low	27.1	Very low	158 Å²	158	156.1 Å²	156.1	81%	0.81	82%	0.824	S	S	*	*			trans	-121.3	151.4	162	-62	178.7	0	0	0	106.7
331	S	26.4	Very low	27.2	Very low	82 Å²	82	158 Å²	158	57%	0.573	82%	0.824	S	S	*	*			trans	-128.4	165.7	-148.1	53.6	0	0	0	0	115.2
332	N	28.3	Very low	27	Very low	160 Å²	160	154.2 Å²	154.2	86%	0.856	82%	0.819	S	S	*	*			trans	85	126.9	167.9	-48.1	-24.8	0	0	0	115.2
333	G	30.2	Very low	27.1	Very low	65 Å²	65	156.1 Å²	156.1	67%	0.67	82%	0.816	S	S	*	*			cis	170.8	161.5	-9.6	0	0	0	0	0	114
334	Q	29.8	Very low	27.3	Very low	205 Å²	205	153 Å²	153	96%	0.958	82%	0.816	S	S	*	*			trans	60.7	138.9	167.9	-61	172.3	-21.7	0	0	116.5
335	A	30.7	Very low	27.5	Very low	103 Å²	103	153.2 Å²	153.2	85%	0.851	82%	0.817	S	S	*	*			cis	-158.5	163.8	-14.7	0	0	0	0	0	106.8
336	G	25.6	Very low	27.8	Very low	67 Å²	67	146.8 Å²	146.8	69%	0.691	81%	0.807	S	S	*	*			cis	149.7	51.8	1.2	0	0	0	0	0	113.3
337	F	27.2	Very low	27.9	Very low	221 Å²	221	142.6 Å²	142.6	97%	0.969	80%	0.803	S	S	*	*			trans	-133.5	127.5	170.9	-87.3	-77.7	0	0	0	111.3
338	A	26.5	Very low	28.3	Very low	98 Å²	98	142.1 Å²	142.1	81%	0.81	80%	0.804	S	S	*	*			trans	-128.1	130.4	178.7	0	0	0	0	0	110.1
339	F	25.8	Very low	28.7	Very low	214 Å²	214	139.3 Å²	139.3	94%	0.939	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-94.2	116.5	177	-137	-87.6	0	0	0	109.8
340	K	29.8	Very low	29	Very low	190 Å²	190	134 Å²	134	83%	0.826	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-68.7	135.1	177.1	-80.1	-174	174.1	-179.8	0	110.7
341	R	27.4	Very low	29.4	Very low	209 Å²	209	131.7 Å²	131.7	79%	0.789	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-83.3	135.5	168.2	-158	-179.7	-176.2	129.2	-10.7	108.6	D343	R341-D343 VanDerWaalsContact CD-OD2 3.29Å; R341-D343 WeakPolarHBondContact CD-OD2 3.49Å; R341-D343 WeakPolarHBondContact CG-OD2 3.3Å; R341-D343 IonicContact NE-OD2 3.33Å; R341-D343 PolarHBondContact NE-OD2 2.87Å
342	C	27.3	Very low	29.7	Very low	123 Å²	123	135.7 Å²	135.7	83%	0.831	80%	0.804	S	S	*	*			trans	-109.6	75.7	-173.9	-62.9	0	0	0	0	111
343	D	26.8	Very low	30	Very low	132 Å²	132	137.8 Å²	137.8	71%	0.706	81%	0.808	S	S	*	*			trans	-101	108.1	172.2	-66.8	-63.4	0	0	0	108.9	R341	R341-D343 VanDerWaalsContact CD-OD2 3.29Å; R341-D343 WeakPolarHBondContact CD-OD2 3.49Å; R341-D343 WeakPolarHBondContact CG-OD2 3.3Å; R341-D343 IonicContact NE-OD2 3.33Å; R341-D343 PolarHBondContact NE-OD2 2.87Å
344	A	31.8	Very low	30.1	Very low	106 Å²	106	139.3 Å²	139.3	88%	0.876	81%	0.809	S	S	*	*			trans	-148.6	121.8	177.4	0	0	0	0	0	110.7
345	A	30	Very low	30.3	Very low	88 Å²	88	134.7 Å²	134.7	73%	0.727	80%	0.799	S	S	*	*			trans	-120.5	151.7	176.7	0	0	0	0	0	111
346	T	31	Very low	30.4	Very low	127 Å²	127	135.3 Å²	135.3	78%	0.779	79%	0.793	S	S	*	*			trans	61	124.8	162.7	49.5	0	0	0	0	119.9
347	S	29.8	Very low	30.6	Very low	113 Å²	113	137.7 Å²	137.7	79%	0.79	79%	0.794	S	S	*	*			trans	58.8	127.4	150.5	53.9	0	0	0	0	118.6
348	S	33.3	Very low	30.8	Very low	107 Å²	107	132.8 Å²	132.8	75%	0.748	78%	0.782	S	S	*	*			cis	-170	154.5	47.5	37.8	0	0	0	0	113.9
349	V	33.2	Very low	31	Very low	142 Å²	142	134.5 Å²	134.5	86%	0.861	78%	0.782	S	S	*	*			trans	60	125.4	152.9	177.3	0	0	0	0	119.8
350	S	28.5	Very low	31.4	Very low	105 Å²	105	130.3 Å²	130.3	73%	0.734	78%	0.78	S	S	*	*			trans	-87.1	-178.7	173.3	-44.2	0	0	0	0	112.1
351	P	38.7	Very low	31.4	Very low	108 Å²	108	126.5 Å²	126.5	70%	0.701	78%	0.777	S	S	*	*				-145.5	158.8	80.5	36.5	-17.7	0	0	0	117.2
352	E	31.3	Very low	32.1	Very low	166 Å²	166	121.2 Å²	121.2	78%	0.776	77%	0.77	S	S	*	*			trans	46.2	104.1	140	-66.1	156.8	-149.9	0	0	121.3
353	H	34.6	Very low	32.5	Very low	204 Å²	204	125.4 Å²	125.4	94%	0.944	77%	0.77	S	S	*	*				-136	155	112.3	-84.3	-60.1	0	0	0	109.3
354	S	33.3	Very low	32.8	Very low	98 Å²	98	124 Å²	124	69%	0.685	77%	0.77	S	S	*	*			trans	-129.5	163.3	-155	48.9	0	0	0	0	113.9
355	S	34.1	Very low	33.3	Very low	107 Å²	107	124 Å²	124	75%	0.748	76%	0.761	S	S	*	*			trans	66.7	150.6	164.7	35.6	0	0	0	0	118.3
356	T	31.6	Very low	33.6	Very low	117 Å²	117	130.4 Å²	130.4	72%	0.718	77%	0.768	S	S	*	*			cis	-165.6	157.4	-15.6	-90.9	0	0	0	0	110.1
357	T	31.1	Very low	33.8	Very low	116 Å²	116	128.3 Å²	128.3	71%	0.712	76%	0.764	S	S	*	*			trans	69.4	144.7	161.5	39.8	0	0	0	0	123.8
358	T	32	Very low	34.2	Very low	119 Å²	119	129.5 Å²	129.5	73%	0.73	77%	0.766	S	S	*	*			trans	51.5	117.2	148.1	52.9	0	0	0	0	119.9
359	V	29.9	Very low	34.4	Very low	133 Å²	133	128.5 Å²	128.5	81%	0.806	76%	0.764	S	S	*	*				64.2	94.4	61.4	-176.3	0	0	0	0	113.8
360	S	34.1	Very low	34.5	Very low	127 Å²	127	127 Å²	127	89%	0.888	76%	0.76	S	S	*	*			trans	-172.7	166.3	143	-87.8	0	0	0	0	111.9
361	S	28.8	Very low	34.9	Very low	110 Å²	110	127.9 Å²	127.9	77%	0.769	76%	0.761	S	S	*	*			trans	-144.1	176.2	178.1	-163.7	0	0	0	0	106.5
362	P	43.9	Very low	34.8	Very low	98 Å²	98	127.5 Å²	127.5	64%	0.636	76%	0.761	S	S	*	*			cis	-126.7	-155.7	-15.4	15.6	11.9	0	0	0	112.4
363	Y	34	Very low	35	Very low	211 Å²	211	127.8 Å²	127.8	83%	0.827	77%	0.767	S	S	*	*			trans	80.9	106.8	160.1	-74	-87	0	0	0	121.8
364	S	33	Very low	35	Very low	102 Å²	102	121.7 Å²	121.7	71%	0.713	76%	0.759	S	S	*	*				32.1	154.6	106.1	-128.4	0	0	0	0	121.7
365	P	42.9	Very low	35.2	Very low	106 Å²	106	122 Å²	122	69%	0.688	77%	0.768	S	S	*	*				-138.8	-153.4	-54.2	41.4	-23	0	0	0	112.6
366	Y	35.9	Very low	35.6	Very low	222 Å²	222	125 Å²	125	87%	0.871	77%	0.773	S	S	*	*			trans	87.7	140	164.9	-106.1	-81.5	0	0	0	121.3
367	A	35.1	Very low	35.9	Very low	84 Å²	84	128.2 Å²	128.2	69%	0.694	78%	0.78	S	S	*	*			trans	68	151.2	156.5	0	0	0	0	0	119.1
368	V	39.7	Very low	36.2	Very low	137 Å²	137	128.7 Å²	128.7	83%	0.83	79%	0.786	S	S	*	*			cis	-159.2	167.9	-5.5	-102.7	0	0	0	0	110.8
369	A	35.9	Very low	36.5	Very low	86 Å²	86	127.5 Å²	127.5	71%	0.711	79%	0.788	S	S	*	*			trans	72.2	120.4	160.2	0	0	0	0	0	118
370	S	35.7	Very low	37.1	Very low	110 Å²	110	126.9 Å²	126.9	77%	0.769	79%	0.786	S	S	*	*				78.9	140.7	76.4	-54.1	0	0	0	0	113.1
371	T	38.4	Very low	37.1	Very low	125 Å²	125	126 Å²	126	77%	0.767	78%	0.78	S	S	*	*			cis	-161.9	154.8	30.1	-31.2	0	0	0	0	111.9
372	S	35.8	Very low	37.2	Very low	99 Å²	99	125.7 Å²	125.7	69%	0.692	78%	0.777	S	S	*	*			trans	48.9	142.6	145.2	59.5	0	0	0	0	122.2
373	L	35.9	Very low	36.7	Very low	172 Å²	172	125.6 Å²	125.6	90%	0.901	78%	0.779	S	S	*	*			cis	-164.3	156.3	-2.3	-146.9	71	0	0	0	110.7
374	G	34.9	Very low	36.8	Very low	76 Å²	76	123.7 Å²	123.7	78%	0.784	78%	0.78	S	S	*	*			trans	85.3	89.2	138.7	0	0	0	0	0	121.5
375	A	36.8	Very low	37.3	Very low	105 Å²	105	126.1 Å²	126.1	87%	0.868	78%	0.784	S	S	*	*			trans	-162.2	144.5	139.4	0	0	0	0	0	109.6
376	I	41.5	Very low	37.1	Very low	169 Å²	169	125.7 Å²	125.7	87%	0.867	79%	0.789	S	S	*	*			trans	-112.8	113.4	-171.2	-58.1	167	0	0	0	111.2
377	Q	39	Very low	37.5	Very low	185 Å²	185	121.4 Å²	121.4	86%	0.864	78%	0.777	S	S	*	*			trans	-149.4	142.2	151.2	-73	-161.1	-28.4	0	0	109.8
378	P	37.8	Very low	37.5	Very low	127 Å²	127	121.1 Å²	121.1	83%	0.825	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-76.6	131.4	176.6	31.1	-33.4	0	0	0	111.1
379	A	37.7	Very low	37.8	Very low	93 Å²	93	124 Å²	124	77%	0.769	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-83.9	141.3	175.4	0	0	0	0	0	111.4
380	P	43.4	Very low	38.2	Very low	120 Å²	120	125 Å²	125	78%	0.779	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-65.5	146.2	166.4	29.5	-34	0	0	0	110.1	C382	P380-C382 PolarHBondContact O-N 2.98Å; P380-C382 VanDerWaalsContact O-N 3.12Å
381	S	33.9	Very low	38.6	Very low	108 Å²	108	124 Å²	124	76%	0.755	75%	0.752	S	S	*	*			trans	-59.1	113.4	-175.7	42.8	0	0	0	0	112.2	S383	S381-S383 VanDerWaalsContact C-N 3.32Å; S381-S383 PolarHBondContact O-N 3.3Å
382	C	29.5	Very low	38.9	Very low	104 Å²	104	121.6 Å²	121.6	70%	0.703	75%	0.745	S	S	*	*			trans	-79.7	80.1	178.7	-164.1	0	0	0	0	110.6	P380 M384	P380-C382 PolarHBondContact O-N 2.98Å; P380-C382 VanDerWaalsContact O-N 3.12Å; C382-M384 PolarHBondContact O-N 3.14Å
383	S	33.2	Very low	39.9	Very low	97 Å²	97	124.5 Å²	124.5	68%	0.678	75%	0.745	S	S	*	*			trans	-63.7	96.8	176.2	-64.1	0	0	0	0	111.1	S381 L385	S381-S383 VanDerWaalsContact C-N 3.32Å; S381-S383 PolarHBondContact O-N 3.3Å; S383-L385 PolarHBondContact O-N 3.48Å
384	M	36.4	Very low	41.8	Very low	171 Å²	171	120.4 Å²	120.4	84%	0.842	73%	0.728	S	S	*	*			trans	-71.7	61.8	178.7	-73.9	-72.4	-176.4	0	0	112.5	C382 A386	C382-M384 PolarHBondContact O-N 3.14Å; M384-A386 PolarHBondContact O-N 3.19Å
385	L	44.9	Very low	43.8	Very low	153 Å²	153	119.7 Å²	119.7	80%	0.801	71%	0.705	S	S	*	*			trans	-73.8	111.8	166.7	-77.4	172.7	0	0	0	109.4	S383 Q387	S383-L385 PolarHBondContact O-N 3.48Å; L385-Q387 PolarHBondContact O-N 2.87Å
386	A	38	Very low	46.1	Very low	97 Å²	97	119.8 Å²	119.8	80%	0.802	69%	0.686	S	S	*	*			trans	-64.5	92.7	178	0	0	0	0	0	110.8	M384 S388	M384-A386 PolarHBondContact O-N 3.19Å; A386-S388 PolarHBondContact O-N 3.36Å
387	Q	43.7	Very low	48.2	Very low	132 Å²	132	111.9 Å²	111.9	62%	0.617	65%	0.646	S	S	*	*			trans	-54.6	123.1	176.6	-68.4	169.8	-20.1	0	0	110.5	L385 R389	L385-Q387 PolarHBondContact O-N 2.87Å; Q387-R389 VanDerWaalsContact C-N 3.27Å; Q387-R389 HydrophobicContact CB-CG 3.96Å; Q387-R389 WeakPolarHBondContact O-CG 3.35Å; Q387-R389 PolarHBondContact O-N 2.83Å
388	S	36.3	Very low	50.1	Low	77 Å²	77	108.3 Å²	108.3	54%	0.538	64%	0.639	S	S	.	*			trans	-67.7	85.1	171.2	-175.4	0	0	0	0	110	A386 N390	A386-S388 PolarHBondContact O-N 3.36Å; S388-N390 PolarHBondContact O-N 2.79Å; S388-N390 VanDerWaalsContact O-N 3.15Å
389	R	45.1	Very low	51.9	Low	197 Å²	197	107 Å²	107	74%	0.743	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.7	3.1	-165.5	-84.7	173.7	-179.9	177.4	2.2	115.5	Q387	Q387-R389 VanDerWaalsContact C-N 3.27Å; Q387-R389 HydrophobicContact CB-CG 3.96Å; Q387-R389 WeakPolarHBondContact O-CG 3.35Å; Q387-R389 PolarHBondContact O-N 2.83Å
390	N	43.8	Very low	53.9	Low	107 Å²	107	104.4 Å²	104.4	57%	0.572	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.4	-7.5	-176.9	-79.5	-0.3	0	0	0	115.5	S388 T559	S388-N390 PolarHBondContact O-N 2.79Å; S388-N390 VanDerWaalsContact O-N 3.15Å; N390-T559 PolarHBondContact ND2-O 3.42Å
391	S	45.3	Very low	55.5	Low	90 Å²	90	104.6 Å²	104.6	63%	0.629	59%	0.59	S	S	*	*	S	Bend	trans	-97.9	4	179.4	-56.8	0	0	0	0	114.2	K393	S391-K393 PolarHBondContact O-N 2.83Å; S391-K393 VanDerWaalsContact O-N 3.17Å
392	A	44.7	Very low	57.9	Low	75 Å²	75	107.8 Å²	107.8	62%	0.62	59%	0.586	S	S	*	*	S	Bend	trans	-79.8	97.8	-175.3	0	0	0	0	0	113.1	T394	A392-T394 PolarHBondContact O-N 2.86Å
393	K	57.1	Low	60.5	Low	160 Å²	160	107.8 Å²	107.8	70%	0.696	58%	0.575	S	S	*	*			trans	41.3	65.8	161.9	-64	-175.1	179.1	-179.4	0	115.5	S391	S391-K393 PolarHBondContact O-N 2.83Å; S391-K393 VanDerWaalsContact O-N 3.17Å
394	T	74.5	Confident	63.1	Low	86 Å²	86	105.6 Å²	105.6	53%	0.528	55%	0.553	S	S	.	*	P	Polyproline II helix	trans	-82	132.1	159.1	68	0	0	0	0	110.1	A392 Y404	A392-T394 PolarHBondContact O-N 2.86Å; T394-Y404 CarbonylContact C-O 3.55Å; T394-Y404 WeakPolarHBondContact CA-O 3.49Å
395	L	76.6	Confident	65.1	Low	61 Å²	61	104.2 Å²	104.2	32%	0.319	54%	0.542	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	122.1	-179.2	-58.1	168.7	0	0	0	109.3	H403 Y404 H407 L410	L395-H403 WeakPolarHBondContact O-CA 3.16Å; L395-Y404 PolarHBondContact N-O 2.91Å; L395-Y404 PolarHBondContact O-N 3.45Å; L395-H407 VanDerWaalsContact CD1-CA 3.47Å; L395-H407 HydrophobicContact CD1-CB 3.89Å; L395-L410 HydrophobicContact CB-CD2 3.74Å; L395-L410 HydrophobicContact CD1-CD2 4.41Å
396	K	85.2	Confident	67	Low	106 Å²	106	103.1 Å²	103.1	46%	0.461	53%	0.528	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	140.7	177.7	-170.8	-176.1	178.3	-179.6	0	110.7	N401 H403	K396-N401 WeakPolarHBondContact CE-OD1 3.43Å; K396-N401 PolarHBondContact NZ-OD1 3.07Å; K396-H403 WeakPolarHBondContact CG-NE2 3.28Å
397	C	85.1	Confident	69.3	Low	4 Å²	4	103.6 Å²	103.6	3%	0.027	51%	0.513	C	S	.	.	P	Polyproline II helix	trans	-62.1	133	168	176.5	0	0	0	0	112	K399 C400 W402 L410 H413 M414 H418	C397-K399 PolarHBondContact SG-N 3.44Å; C397-C400 WeakPolarHBondContact CB-O 3.37Å; C397-C400 PolarHBondContact SG-N 3.22Å; C397-C400 PolarHBondContact SG-SG 2.79Å; C397-W402 PolarHBondContact N-O 2.88Å; C397-L410 HydrophobicContact CB-CD1 4.14Å; C397-H413 WeakPolarHBondContact CB-NE2 3.38Å; C397-H413 PolarHBondContact SG-NE2 2.7Å; C397-M414 HydrophobicContact CB-CE 3.94Å; C397-M414 WeakPolarHBondContact SG-CE 3.45Å; C397-H418 VanDerWaalsContact SG-CD2 3.5Å
398	P	80.2	Confident	71.3	Confident	110 Å²	110	103.2 Å²	103.2	71%	0.714	51%	0.512	S	S	*	.	S	Bend	trans	-71.2	-33.4	173.9	27.4	-33.6	0	0	0	112.5	M414	P398-M414 HydrophobicContact CG-SD 4.05Å
399	K	75.7	Confident	73.6	Confident	100 Å²	100	101.9 Å²	101.9	44%	0.435	50%	0.5	S	S	.	.	S	Bend	trans	-92.1	-5	-177.6	-57	-163.1	-159.5	169.5	0	114.3	C397 H418 D420	C397-K399 PolarHBondContact SG-N 3.44Å; K399-H418 HydrophobicContact CB-CB 4.41Å; K399-H418 VanDerWaalsContact CB-CE1 3.49Å; K399-H418 WeakPolarHBondContact CB-CE1 3.5Å; K399-H418 WeakPolarHBondContact CB-ND1 3.49Å; K399-H418 HydrophobicContact CD-CB 3.89Å; K399-H418 HydrophobicContact CG-CB 4.47Å; K399-H418 PolarHBondContact NZ-O 3.2Å; K399-D420 IonicContact NZ-OD1 2.72Å; K399-D420 PolarHBondContact NZ-OD1 3.03Å; K399-D420 IonicContact NZ-OD2 2.68Å; K399-D420 PolarHBondContact NZ-OD2 3.3Å
400	C	79.9	Confident	75.5	Confident	37 Å²	37	93.4 Å²	93.4	25%	0.25	47%	0.47	C	S	.	.	S	Bend	trans	-160.3	178.6	174	78.3	0	0	0	0	114.5	C397 W402 H413 H418	C397-C400 WeakPolarHBondContact CB-O 3.37Å; C397-C400 PolarHBondContact SG-N 3.22Å; C397-C400 PolarHBondContact SG-SG 2.79Å; C400-W402 PolarHBondContact O-N 3.22Å; C400-W402 VanDerWaalsContact SG-CD1 3.59Å; C400-H413 PolarHBondContact SG-NE2 2.8Å; C400-H418 PolarHBondContact SG-NE2 2.89Å; C400-H418 VanDerWaalsContact SG-NE2 3.42Å
401	N	76.3	Confident	77.5	Confident	125 Å²	125	90.2 Å²	90.2	67%	0.668	45%	0.451	S	S	*	.	S	Bend	trans	-88.8	17.1	-174.9	-79.1	-51.8	0	0	0	116	K396 H403	K396-N401 WeakPolarHBondContact CE-OD1 3.43Å; K396-N401 PolarHBondContact NZ-OD1 3.07Å; N401-H403 PolarHBondContact O-CE1 2.98Å; N401-H403 PolarHBondContact O-ND1 3.37Å
402	W	83.9	Confident	79.3	Confident	175 Å²	175	90 Å²	90	66%	0.663	44%	0.442	S	S	*	.			trans	-81.3	146.7	173.5	-71.8	84.2	0	0	0	111.7	C397 C400 Y404	C397-W402 PolarHBondContact N-O 2.88Å; C400-W402 PolarHBondContact O-N 3.22Å; C400-W402 VanDerWaalsContact SG-CD1 3.59Å; W402-Y404 HydrophobicContact CB-CE2 3.55Å
403	H	84.9	Confident	81.3	Confident	103 Å²	103	86.9 Å²	86.9	48%	0.477	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	138.2	-177.4	-60.9	71	0	0	0	109.2	L395 K396 N401	L395-H403 WeakPolarHBondContact O-CA 3.16Å; K396-H403 WeakPolarHBondContact CG-NE2 3.28Å; N401-H403 PolarHBondContact O-CE1 2.98Å; N401-H403 PolarHBondContact O-ND1 3.37Å
404	Y	86.5	Confident	82.5	Confident	52 Å²	52	81.5 Å²	81.5	20%	0.204	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	146.4	-170.1	-69	-89	0	0	0	110.5	T394 L395 W402 T409 L410 H413	T394-Y404 CarbonylContact C-O 3.55Å; T394-Y404 WeakPolarHBondContact CA-O 3.49Å; L395-Y404 PolarHBondContact N-O 2.91Å; L395-Y404 PolarHBondContact O-N 3.45Å; W402-Y404 HydrophobicContact CB-CE2 3.55Å; Y404-T409 WeakPolarHBondContact CD1-O 3.41Å; Y404-L410 HydrophobicContact CD2-CB 4.43Å; Y404-L410 HydrophobicContact CD2-CD1 3.77Å; Y404-L410 HydrophobicContact CE2-CD1 4.36Å; Y404-L410 HydrophobicContact CG-CB 4.31Å; Y404-L410 HydrophobicContact CG-CD1 4.47Å; Y404-H413 HydrophobicContact CE1-CB 3.96Å; Y404-H413 HydrophobicContact CE2-CB 3.84Å; Y404-H413 AromaticContact CE2-CD2 3.19Å; Y404-H413 WeakPolarHBondContact CE2-CD2 3.49Å; Y404-H413 AromaticContact CE2-CG 3.52Å; Y404-H413 AromaticContact CE2-NE2 3.92Å; Y404-H413 AromaticContact CZ-CD2 3.65Å; Y404-H413 AromaticContact CZ-CG 3.45Å; Y404-H413 VanDerWaalsContact CZ-CG 3.45Å; Y404-H413 PolarHBondContact OH-ND1 3.31Å
405	K	80	Confident	82.9	Confident	141 Å²	141	85.5 Å²	85.5	61%	0.613	40%	0.403	S	S	*	.	S	Bend	trans	-83.3	-24.7	-178.3	-170.7	-179.9	174.3	-157.5	0	113
406	Y	85.1	Confident	82.8	Confident	131 Å²	131	88.3 Å²	88.3	51%	0.514	41%	0.414	S	S	.	.	S	Bend	trans	-130.9	146.5	-174.2	-56	-75	0	0	0	110.7	T409 L410	Y406-T409 PolarHBondContact N-OG1 2.97Å; Y406-T409 PolarHBondContact O-N 2.79Å; Y406-T409 VanDerWaalsContact O-N 3.16Å; Y406-T409 PolarHBondContact O-OG1 2.84Å; Y406-L410 PolarHBondContact O-N 2.9Å; Y406-L410 VanDerWaalsContact O-N 3.11Å
407	H	85.4	Confident	82.2	Confident	106 Å²	106	87.8 Å²	87.8	49%	0.491	41%	0.412	S	S	.	.	H	α-helix	trans	-58.5	-50.9	-179.7	-163	-98.8	0	0	0	111.4	L395 T409 L410 E411	L395-H407 VanDerWaalsContact CD1-CA 3.47Å; L395-H407 HydrophobicContact CD1-CB 3.89Å; H407-T409 VanDerWaalsContact C-N 3.25Å; H407-T409 PolarHBondContact O-N 3.24Å; H407-T409 VanDerWaalsContact O-N 3.13Å; H407-L410 CarbonylContact O-C 3.5Å; H407-L410 WeakPolarHBondContact O-CA 3.19Å; H407-L410 VanDerWaalsContact O-CB 3.31Å; H407-L410 WeakPolarHBondContact O-CB 3.43Å; H407-L410 PolarHBondContact O-N 2.87Å; H407-E411 VanDerWaalsContact C-OE2 3.31Å; H407-E411 IonicContact CE1-OE1 3.99Å; H407-E411 PolarHBondContact CE1-OE1 2.88Å; H407-E411 IonicContact CE1-OE2 3.52Å; H407-E411 IonicContact CG-OE2 3.34Å; H407-E411 IonicContact ND1-OE1 3.98Å; H407-E411 PolarHBondContact ND1-OE1 2.87Å; H407-E411 IonicContact ND1-OE2 2.77Å; H407-E411 PolarHBondContact ND1-OE2 2.83Å; H407-E411 WeakPolarHBondContact O-CG 3.48Å; H407-E411 PolarHBondContact O-N 3.45Å
408	E	86.4	Confident	81.7	Confident	124 Å²	124	89.5 Å²	89.5	58%	0.579	42%	0.419	S	S	*	.	H	α-helix	trans	-45.4	-45.1	171.7	-176.1	179.4	-148.7	0	0	113.2	E411 I412	E408-E411 VanDerWaalsContact CA-OE2 3.3Å; E408-E411 WeakPolarHBondContact CA-OE2 3.5Å; E408-E411 PolarHBondContact N-OE2 2.98Å; E408-E411 PolarHBondContact O-N 2.85Å; E408-I412 HydrophobicContact CG-CD1 4.34Å; E408-I412 WeakPolarHBondContact O-CD1 3.31Å; E408-I412 VanDerWaalsContact O-CG1 3.27Å; E408-I412 WeakPolarHBondContact O-CG1 3.46Å; E408-I412 PolarHBondContact O-N 2.95Å
409	T	83.9	Confident	81	Confident	49 Å²	49	86.7 Å²	86.7	30%	0.301	40%	0.403	S	S	.	.	H	α-helix	trans	-73.9	-26.4	177.6	60.6	0	0	0	0	114.2	Y404 Y406 H407 H413	Y404-T409 WeakPolarHBondContact CD1-O 3.41Å; Y406-T409 PolarHBondContact N-OG1 2.97Å; Y406-T409 PolarHBondContact O-N 2.79Å; Y406-T409 VanDerWaalsContact O-N 3.16Å; Y406-T409 PolarHBondContact O-OG1 2.84Å; H407-T409 VanDerWaalsContact C-N 3.25Å; H407-T409 PolarHBondContact O-N 3.24Å; H407-T409 VanDerWaalsContact O-N 3.13Å; T409-H413 WeakPolarHBondContact O-CB 3.29Å; T409-H413 PolarHBondContact O-N 3.28Å
410	L	85.1	Confident	79.9	Confident	19 Å²	19	88.5 Å²	88.5	10%	0.099	42%	0.417	C	S	.	.	H	α-helix	trans	-73.3	-38.9	169.9	176	64.1	0	0	0	110.7	L395 C397 Y404 Y406 H407 H413 M414	L395-L410 HydrophobicContact CB-CD2 3.74Å; L395-L410 HydrophobicContact CD1-CD2 4.41Å; C397-L410 HydrophobicContact CB-CD1 4.14Å; Y404-L410 HydrophobicContact CD2-CB 4.43Å; Y404-L410 HydrophobicContact CD2-CD1 3.77Å; Y404-L410 HydrophobicContact CE2-CD1 4.36Å; Y404-L410 HydrophobicContact CG-CB 4.31Å; Y404-L410 HydrophobicContact CG-CD1 4.47Å; Y406-L410 PolarHBondContact O-N 2.9Å; Y406-L410 VanDerWaalsContact O-N 3.11Å; H407-L410 CarbonylContact O-C 3.5Å; H407-L410 WeakPolarHBondContact O-CA 3.19Å; H407-L410 VanDerWaalsContact O-CB 3.31Å; H407-L410 WeakPolarHBondContact O-CB 3.43Å; H407-L410 PolarHBondContact O-N 2.87Å; L410-H413 CarbonylContact O-C 3.49Å; L410-H413 WeakPolarHBondContact O-CA 3.35Å; L410-H413 WeakPolarHBondContact O-CB 3.42Å; L410-H413 PolarHBondContact O-N 2.7Å; L410-M414 HydrophobicContact CD1-CE 3.47Å; L410-M414 VanDerWaalsContact CD1-CE 3.47Å; L410-M414 HydrophobicContact CG-CE 4.19Å; L410-M414 WeakPolarHBondContact O-CG 3.33Å; L410-M414 PolarHBondContact O-N 2.93Å
411	E	84.7	Confident	78.7	Confident	40 Å²	40	92.5 Å²	92.5	19%	0.187	44%	0.436	C	S	.	.	H	α-helix	trans	-69.1	-42.3	-179.6	-70.4	168.8	124.4	0	0	112.1	T174 H407 E408 H413 M414 K415	T174-E411 VanDerWaalsContact CB-OE1 3.32Å; T174-E411 WeakPolarHBondContact CB-OE1 3.32Å; T174-E411 WeakPolarHBondContact CG2-OE1 3.35Å; H407-E411 VanDerWaalsContact C-OE2 3.31Å; H407-E411 IonicContact CE1-OE1 3.99Å; H407-E411 PolarHBondContact CE1-OE1 2.88Å; H407-E411 IonicContact CE1-OE2 3.52Å; H407-E411 IonicContact CG-OE2 3.34Å; H407-E411 IonicContact ND1-OE1 3.98Å; H407-E411 PolarHBondContact ND1-OE1 2.87Å; H407-E411 IonicContact ND1-OE2 2.77Å; H407-E411 PolarHBondContact ND1-OE2 2.83Å; H407-E411 WeakPolarHBondContact O-CG 3.48Å; H407-E411 PolarHBondContact O-N 3.45Å; E408-E411 VanDerWaalsContact CA-OE2 3.3Å; E408-E411 WeakPolarHBondContact CA-OE2 3.5Å; E408-E411 PolarHBondContact N-OE2 2.98Å; E408-E411 PolarHBondContact O-N 2.85Å; E411-H413 PolarHBondContact O-N 3.23Å; E411-M414 WeakPolarHBondContact O-CB 3.26Å; E411-M414 PolarHBondContact O-N 3.37Å; E411-M414 VanDerWaalsContact O-N 3.14Å; E411-K415 WeakPolarHBondContact O-CB 3.12Å; E411-K415 PolarHBondContact O-N 3.45Å
412	I	84.8	Confident	77.5	Confident	86 Å²	86	95.5 Å²	95.5	44%	0.441	45%	0.446	S	S	.	.	H	α-helix	trans	-56.4	-43.6	168.7	-68	163	0	0	0	109.6	E408 K415 E416	E408-I412 HydrophobicContact CG-CD1 4.34Å; E408-I412 WeakPolarHBondContact O-CD1 3.31Å; E408-I412 VanDerWaalsContact O-CG1 3.27Å; E408-I412 WeakPolarHBondContact O-CG1 3.46Å; E408-I412 PolarHBondContact O-N 2.95Å; I412-K415 PolarHBondContact O-N 3.26Å; I412-E416 HydrophobicContact CG2-CG 4.34Å; I412-E416 VanDerWaalsContact O-CB 3.32Å; I412-E416 WeakPolarHBondContact O-CB 3.25Å; I412-E416 WeakPolarHBondContact O-CG 3.45Å; I412-E416 PolarHBondContact O-N 3.17Å
413	H	85.1	Confident	76.3	Confident	10 Å²	10	91.2 Å²	91.2	5%	0.046	44%	0.439	C	S	.	.	H	α-helix	trans	-65.5	-38.2	175.2	169	53.1	0	0	0	113.6	C397 C400 Y404 T409 L410 E411 K417 H418	C397-H413 WeakPolarHBondContact CB-NE2 3.38Å; C397-H413 PolarHBondContact SG-NE2 2.7Å; C400-H413 PolarHBondContact SG-NE2 2.8Å; Y404-H413 HydrophobicContact CE1-CB 3.96Å; Y404-H413 HydrophobicContact CE2-CB 3.84Å; Y404-H413 AromaticContact CE2-CD2 3.19Å; Y404-H413 WeakPolarHBondContact CE2-CD2 3.49Å; Y404-H413 AromaticContact CE2-CG 3.52Å; Y404-H413 AromaticContact CE2-NE2 3.92Å; Y404-H413 AromaticContact CZ-CD2 3.65Å; Y404-H413 AromaticContact CZ-CG 3.45Å; Y404-H413 VanDerWaalsContact CZ-CG 3.45Å; Y404-H413 PolarHBondContact OH-ND1 3.31Å; T409-H413 WeakPolarHBondContact O-CB 3.29Å; T409-H413 PolarHBondContact O-N 3.28Å; L410-H413 CarbonylContact O-C 3.49Å; L410-H413 WeakPolarHBondContact O-CA 3.35Å; L410-H413 WeakPolarHBondContact O-CB 3.42Å; L410-H413 PolarHBondContact O-N 2.7Å; E411-H413 PolarHBondContact O-N 3.23Å; H413-K417 VanDerWaalsContact ND1-CG 3.32Å; H413-K417 WeakPolarHBondContact ND1-CG 3.37Å; H413-K417 WeakPolarHBondContact O-CB 3.41Å; H413-K417 PolarHBondContact O-N 3.06Å; H413-H418 AromaticContact CE1-CD2 3.67Å; H413-H418 AromaticContact CE1-NE2 3.65Å; H413-H418 AromaticContact NE2-CD2 3.66Å; H413-H418 AromaticContact NE2-NE2 3.71Å
414	M	82.9	Confident	75.2	Confident	46 Å²	46	89.6 Å²	89.6	23%	0.227	44%	0.439	C	S	.	.	H	α-helix	trans	-59.2	-52.9	172	-68.5	-48.4	87.9	0	0	109.7	C397 P398 L410 E411 E416 H418 S419	C397-M414 HydrophobicContact CB-CE 3.94Å; C397-M414 WeakPolarHBondContact SG-CE 3.45Å; P398-M414 HydrophobicContact CG-SD 4.05Å; L410-M414 HydrophobicContact CD1-CE 3.47Å; L410-M414 VanDerWaalsContact CD1-CE 3.47Å; L410-M414 HydrophobicContact CG-CE 4.19Å; L410-M414 WeakPolarHBondContact O-CG 3.33Å; L410-M414 PolarHBondContact O-N 2.93Å; E411-M414 WeakPolarHBondContact O-CB 3.26Å; E411-M414 PolarHBondContact O-N 3.37Å; E411-M414 VanDerWaalsContact O-N 3.14Å; M414-E416 VanDerWaalsContact C-N 3.32Å; M414-E416 PolarHBondContact O-N 3.03Å; M414-H418 CarbonylContact O-C 3.48Å; M414-H418 VanDerWaalsContact O-CA 3.23Å; M414-H418 WeakPolarHBondContact O-CA 3.24Å; M414-H418 WeakPolarHBondContact O-CB 3.2Å; M414-H418 PolarHBondContact O-N 2.96Å; M414-S419 PolarHBondContact O-N 2.9Å
415	K	82.9	Confident	74.5	Confident	171 Å²	171	87.7 Å²	87.7	74%	0.743	43%	0.433	S	S	*	.	H	α-helix	trans	-64.7	-31.4	-176.6	-169	173.4	-178.6	176.2	0	113.4	E411 I412 S419	E411-K415 WeakPolarHBondContact O-CB 3.12Å; E411-K415 PolarHBondContact O-N 3.45Å; I412-K415 PolarHBondContact O-N 3.26Å; K415-S419 WeakPolarHBondContact O-CB 3.34Å
416	E	75.2	Confident	74.2	Confident	120 Å²	120	85.6 Å²	85.6	56%	0.561	43%	0.432	S	S	*	.	H	α-helix	trans	-88.9	-33.2	180	-79.5	-168.8	-164.4	0	0	115.4	I412 M414	I412-E416 HydrophobicContact CG2-CG 4.34Å; I412-E416 VanDerWaalsContact O-CB 3.32Å; I412-E416 WeakPolarHBondContact O-CB 3.25Å; I412-E416 WeakPolarHBondContact O-CG 3.45Å; I412-E416 PolarHBondContact O-N 3.17Å; M414-E416 VanDerWaalsContact C-N 3.32Å; M414-E416 PolarHBondContact O-N 3.03Å
417	K	71.9	Confident	74	Confident	95 Å²	95	83.8 Å²	83.8	41%	0.413	43%	0.425	S	S	.	.	H	α-helix	trans	-116.5	-12.2	-170.7	-49.2	-55.8	167.4	-148.4	0	113.6	H413	H413-K417 VanDerWaalsContact ND1-CG 3.32Å; H413-K417 WeakPolarHBondContact ND1-CG 3.37Å; H413-K417 WeakPolarHBondContact O-CB 3.41Å; H413-K417 PolarHBondContact O-N 3.06Å
418	H	74.3	Confident	73.6	Confident	39 Å²	39	81.7 Å²	81.7	18%	0.181	42%	0.422	C	S	.	.	S	Bend	trans	-144.4	12.4	-165.5	-68.9	-49.8	0	0	0	113.7	C397 K399 C400 H413 M414 D420	C397-H418 VanDerWaalsContact SG-CD2 3.5Å; K399-H418 HydrophobicContact CB-CB 4.41Å; K399-H418 VanDerWaalsContact CB-CE1 3.49Å; K399-H418 WeakPolarHBondContact CB-CE1 3.5Å; K399-H418 WeakPolarHBondContact CB-ND1 3.49Å; K399-H418 HydrophobicContact CD-CB 3.89Å; K399-H418 HydrophobicContact CG-CB 4.47Å; K399-H418 PolarHBondContact NZ-O 3.2Å; C400-H418 PolarHBondContact SG-NE2 2.89Å; C400-H418 VanDerWaalsContact SG-NE2 3.42Å; H413-H418 AromaticContact CE1-CD2 3.67Å; H413-H418 AromaticContact CE1-NE2 3.65Å; H413-H418 AromaticContact NE2-CD2 3.66Å; H413-H418 AromaticContact NE2-NE2 3.71Å; M414-H418 CarbonylContact O-C 3.48Å; M414-H418 VanDerWaalsContact O-CA 3.23Å; M414-H418 WeakPolarHBondContact O-CA 3.24Å; M414-H418 WeakPolarHBondContact O-CB 3.2Å; M414-H418 PolarHBondContact O-N 2.96Å; H418-D420 PolarHBondContact O-N 3.45Å
419	S	65.1	Low	73.1	Confident	52 Å²	52	81.4 Å²	81.4	36%	0.364	42%	0.424	S	S	.	.			trans	-59.7	124.6	173.3	55.4	0	0	0	0	110.3	M414 K415 N421	M414-S419 PolarHBondContact O-N 2.9Å; K415-S419 WeakPolarHBondContact O-CB 3.34Å; S419-N421 PolarHBondContact O-N 2.69Å
420	D	54.4	Low	72.9	Confident	137 Å²	137	82.5 Å²	82.5	73%	0.733	43%	0.43	S	S	*	.			trans	-77.8	24.7	174.7	-57.6	-67.3	0	0	0	112.6	K399 H418	K399-D420 IonicContact NZ-OD1 2.72Å; K399-D420 PolarHBondContact NZ-OD1 3.03Å; K399-D420 IonicContact NZ-OD2 2.68Å; K399-D420 PolarHBondContact NZ-OD2 3.3Å; H418-D420 PolarHBondContact O-N 3.45Å
421	N	53.8	Low	72.2	Confident	121 Å²	121	86.8 Å²	86.8	65%	0.647	46%	0.462	S	S	*	.			trans	-76.8	119.3	164.9	-64.3	-20.3	0	0	0	108	S419 V423	S419-N421 PolarHBondContact O-N 2.69Å; N421-V423 HydrophobicContact CB-CG2 4.09Å; N421-V423 PolarHBondContact O-N 3.16Å
422	E	52	Low	71.7	Confident	189 Å²	189	90.1 Å²	90.1	88%	0.883	48%	0.477	S	S	*	.			trans	-73.6	50.1	-178.8	-59.7	-170.2	155.5	0	0	113.7	S424	E422-S424 PolarHBondContact O-N 3.5Å
423	V	57.4	Low	71.3	Confident	84 Å²	84	91.1 Å²	91.1	51%	0.509	49%	0.489	S	S	.	.			trans	-74.5	72.5	174.4	-171.2	0	0	0	0	109.3	N421 C425 I444	N421-V423 HydrophobicContact CB-CG2 4.09Å; N421-V423 PolarHBondContact O-N 3.16Å; V423-C425 PolarHBondContact O-N 2.89Å; V423-I444 HydrophobicContact CB-CG2 4.11Å; V423-I444 HydrophobicContact CG1-CD1 3.79Å; V423-I444 HydrophobicContact CG1-CG2 4.23Å; V423-I444 VanDerWaalsContact O-CG2 3.3Å; V423-I444 WeakPolarHBondContact O-CG2 3.41Å
424	S	62.9	Low	70.8	Confident	70 Å²	70	92 Å²	92	49%	0.49	49%	0.493	S	S	.	.			trans	-55.6	126.3	173.3	44.3	0	0	0	0	109.9	E422 V426	E422-S424 PolarHBondContact O-N 3.5Å; S424-V426 PolarHBondContact O-N 2.96Å
425	C	71.3	Confident	70.4	Confident	12 Å²	12	92.8 Å²	92.8	8%	0.081	50%	0.502	C	S	.	.			trans	-63.4	127.3	-174.2	178	0	0	0	0	110.3	V423 Y427 C428 L429 C445	V423-C425 PolarHBondContact O-N 2.89Å; C425-Y427 PolarHBondContact O-N 3.4Å; C425-Y427 VanDerWaalsContact O-N 3.14Å; C425-C428 HydrophobicContact CB-CB 4.08Å; C425-C428 WeakPolarHBondContact O-CA 3.43Å; C425-C428 WeakPolarHBondContact O-CB 3.22Å; C425-C428 PolarHBondContact O-N 3.31Å; C425-L429 PolarHBondContact O-N 3.1Å; C425-C445 HydrophobicContact CB-CB 3.53Å; C425-C445 VanDerWaalsContact CB-SG 3.5Å; C425-C445 VanDerWaalsContact SG-SG 3.66Å
426	V	74.1	Confident	69.7	Low	96 Å²	96	95.2 Å²	95.2	58%	0.582	51%	0.506	S	S	*	.	H	α-helix	trans	-52.6	-39.4	179.5	-177.9	0	0	0	0	111.7	S424 C428 L429 T430	S424-V426 PolarHBondContact O-N 2.96Å; V426-C428 PolarHBondContact O-N 2.96Å; V426-L429 PolarHBondContact O-N 2.9Å; V426-T430 HydrophobicContact CG1-CG2 4.33Å; V426-T430 WeakPolarHBondContact O-CB 3.4Å; V426-T430 WeakPolarHBondContact O-CG2 3.39Å; V426-T430 PolarHBondContact O-N 2.86Å; V426-T430 PolarHBondContact O-OG1 3.16Å
427	Y	80.6	Confident	69.3	Low	93 Å²	93	92.6 Å²	92.6	37%	0.365	50%	0.496	S	S	.	.	H	α-helix	trans	-69.9	-27.9	176.5	-55.7	-71.9	0	0	0	113.5	C425 S431 Q432 H434 P435 Y443	C425-Y427 PolarHBondContact O-N 3.4Å; C425-Y427 VanDerWaalsContact O-N 3.14Å; Y427-S431 PolarHBondContact O-N 3.32Å; Y427-Q432 HydrophobicContact CD1-CB 4.18Å; Y427-Q432 PolarHBondContact O-N 3.2Å; Y427-H434 WeakPolarHBondContact CB-CE1 3.39Å; Y427-H434 WeakPolarHBondContact CB-ND1 3.32Å; Y427-P435 HydrophobicContact CE1-CG 4.02Å; Y427-P435 HydrophobicContact CE2-CG 4.25Å; Y427-Y443 HydrophobicContact CD2-CD1 4.28Å; Y427-Y443 AromaticContact CD2-CE1 3.74Å; Y427-Y443 HydrophobicContact CD2-CE1 3.74Å; Y427-Y443 AromaticContact CE2-CE1 3.84Å; Y427-Y443 HydrophobicContact CE2-CE1 3.84Å
428	C	76	Confident	69.1	Low	63 Å²	63	91 Å²	91	43%	0.426	50%	0.5	S	S	.	.	H	α-helix	trans	-72.9	-45.3	170.1	-69.2	0	0	0	0	111.3	C425 V426 T430 S431 H434 C445	C425-C428 HydrophobicContact CB-CB 4.08Å; C425-C428 WeakPolarHBondContact O-CA 3.43Å; C425-C428 WeakPolarHBondContact O-CB 3.22Å; C425-C428 PolarHBondContact O-N 3.31Å; V426-C428 PolarHBondContact O-N 2.96Å; C428-T430 VanDerWaalsContact C-N 3.34Å; C428-T430 PolarHBondContact O-N 3.04Å; C428-S431 PolarHBondContact O-N 3.31Å; C428-H434 VanDerWaalsContact SG-CE1 3.52Å; C428-H434 PolarHBondContact SG-NE2 3.37Å; C428-H434 VanDerWaalsContact SG-NE2 3.42Å; C428-C445 VanDerWaalsContact SG-SG 3.63Å
429	L	76.4	Confident	69	Low	118 Å²	118	101.4 Å²	101.4	62%	0.618	54%	0.538	S	S	*	.	H	α-helix	trans	-61.7	-41.1	178.8	-66.3	176.4	0	0	0	112.3	C425 V426 S431	C425-L429 PolarHBondContact O-N 3.1Å; V426-L429 PolarHBondContact O-N 2.9Å; L429-S431 VanDerWaalsContact C-N 3.31Å
430	T	79.2	Confident	69.2	Low	71 Å²	71	102.2 Å²	102.2	44%	0.436	56%	0.555	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87.4	3.9	-179	56.8	0	0	0	0	113.8	V426 C428 Q432	V426-T430 HydrophobicContact CG1-CG2 4.33Å; V426-T430 WeakPolarHBondContact O-CB 3.4Å; V426-T430 WeakPolarHBondContact O-CG2 3.39Å; V426-T430 PolarHBondContact O-N 2.86Å; V426-T430 PolarHBondContact O-OG1 3.16Å; C428-T430 VanDerWaalsContact C-N 3.34Å; C428-T430 PolarHBondContact O-N 3.04Å; T430-Q432 PolarHBondContact O-N 2.9Å; T430-Q432 VanDerWaalsContact O-N 3.11Å; T430-Q432 WeakPolarHBondContact OG1-CG 3.43Å
431	S	72.3	Confident	70	Confident	110 Å²	110	100.8 Å²	100.8	77%	0.769	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	51	27.6	-173.7	-64.8	0	0	0	0	114.6	Y427 C428 L429	Y427-S431 PolarHBondContact O-N 3.32Å; C428-S431 PolarHBondContact O-N 3.31Å; L429-S431 VanDerWaalsContact C-N 3.31Å
432	Q	72.3	Confident	71	Confident	110 Å²	110	99 Å²	99	51%	0.514	54%	0.535	S	S	.	.	P	Polyproline II helix	trans	-86.2	146.1	-177.2	-68.9	-59.9	-46	0	0	112.1	Y427 T430 H434	Y427-Q432 HydrophobicContact CD1-CB 4.18Å; Y427-Q432 PolarHBondContact O-N 3.2Å; T430-Q432 PolarHBondContact O-N 2.9Å; T430-Q432 VanDerWaalsContact O-N 3.11Å; T430-Q432 WeakPolarHBondContact OG1-CG 3.43Å; Q432-H434 PolarHBondContact O-N 3.11Å; Q432-H434 PolarHBondContact O-ND1 2.73Å
433	P	76.9	Confident	71.8	Confident	106 Å²	106	91.1 Å²	91.1	69%	0.688	50%	0.497	S	S	*	.	P	Polyproline II helix	trans	-61.2	125.7	172.1	27.3	-33.8	0	0	0	109.3	P435	P433-P435 WeakPolarHBondContact O-CD 3.46Å
434	H	74.6	Confident	72.4	Confident	28 Å²	28	93 Å²	93	13%	0.13	50%	0.503	C	S	.	.	P	Polyproline II helix	trans	-68.1	123.6	-178.3	-70.9	43.3	0	0	0	109.5	Y427 C428 Q432 Y443 C445 Y447	Y427-H434 WeakPolarHBondContact CB-CE1 3.39Å; Y427-H434 WeakPolarHBondContact CB-ND1 3.32Å; C428-H434 VanDerWaalsContact SG-CE1 3.52Å; C428-H434 PolarHBondContact SG-NE2 3.37Å; C428-H434 VanDerWaalsContact SG-NE2 3.42Å; Q432-H434 PolarHBondContact O-N 3.11Å; Q432-H434 PolarHBondContact O-ND1 2.73Å; H434-Y443 HydrophobicContact CB-CD2 4.36Å; H434-Y443 HydrophobicContact CB-CE1 4.21Å; H434-Y443 HydrophobicContact CB-CE2 3.78Å; H434-Y443 AromaticContact CD2-CD1 3.71Å; H434-Y443 AromaticContact CD2-CD2 3.99Å; H434-Y443 AromaticContact CD2-CE1 3.95Å; H434-Y443 AromaticContact CD2-CG 3.76Å; H434-C445 PolarHBondContact NE2-SG 2.95Å; H434-Y447 HydrophobicContact CB-CD1 3.62Å; H434-Y447 HydrophobicContact CB-CE1 3.77Å; H434-Y447 HydrophobicContact CB-CG 4.13Å; H434-Y447 VanDerWaalsContact CD2-CB 3.43Å; H434-Y447 WeakPolarHBondContact CD2-CB 3.33Å; H434-Y447 AromaticContact CD2-CD1 3.91Å; H434-Y447 AromaticContact CD2-CG 3.56Å; H434-Y447 AromaticContact CG-CD1 3.87Å; H434-Y447 AromaticContact CG-CG 3.83Å
435	P	75.7	Confident	72.9	Confident	63 Å²	63	92.4 Å²	92.4	41%	0.409	50%	0.498	S	S	.	.			trans	-64.4	178.4	-177.3	21.6	-30.1	0	0	0	114.1	Y427 P433 L437 Y443	Y427-P435 HydrophobicContact CE1-CG 4.02Å; Y427-P435 HydrophobicContact CE2-CG 4.25Å; P433-P435 WeakPolarHBondContact O-CD 3.46Å; P435-L437 PolarHBondContact O-N 2.98Å; P435-Y443 VanDerWaalsContact C-OH 3.22Å; P435-Y443 WeakPolarHBondContact CA-OH 3.29Å; P435-Y443 WeakPolarHBondContact CD-OH 3.44Å; P435-Y443 VanDerWaalsContact CG-OH 3.27Å; P435-Y443 WeakPolarHBondContact CG-OH 3.31Å; P435-Y443 PolarHBondContact O-OH 3.26Å
436	R	67.1	Low	73	Confident	222 Å²	222	94 Å²	94	84%	0.838	52%	0.516	S	S	*	.			trans	-88.1	99.7	176.4	-59.4	-173.6	76	-160.5	2.8	109.9
437	L	67	Low	73	Confident	65 Å²	65	94 Å²	94	34%	0.34	51%	0.506	S	S	.	.			trans	-59.6	154.8	173.8	-66.7	178.3	0	0	0	112.7	P435 E441 N442 Y443	P435-L437 PolarHBondContact O-N 2.98Å; L437-E441 HydrophobicContact CB-CB 3.84Å; L437-E441 HydrophobicContact CD1-CB 4.08Å; L437-E441 HydrophobicContact CD2-CB 4.29Å; L437-E441 HydrophobicContact CG-CB 4.28Å; L437-N442 VanDerWaalsContact CD1-C 3.48Å; L437-Y443 HydrophobicContact CD1-CD1 4.16Å; L437-Y443 HydrophobicContact CD1-CD2 3.53Å; L437-Y443 HydrophobicContact CD1-CE1 4.07Å; L437-Y443 HydrophobicContact CD1-CE2 3.44Å; L437-Y443 VanDerWaalsContact CD1-CE2 3.44Å; L437-Y443 HydrophobicContact CD1-CG 3.87Å; L437-Y443 HydrophobicContact CD2-CE1 3.98Å; L437-Y443 HydrophobicContact CD2-CE2 4.32Å; L437-Y443 HydrophobicContact CG-CD2 4.19Å; L437-Y443 HydrophobicContact CG-CE1 4.11Å; L437-Y443 HydrophobicContact CG-CE2 3.56Å; L437-Y443 VanDerWaalsContact CG-CZ 3.47Å
438	A	68.1	Low	73	Confident	61 Å²	61	93.3 Å²	93.3	50%	0.504	51%	0.505	S	S	.	.			trans	-73	175.2	176.5	0	0	0	0	0	112.5	G440 E441	A438-G440 PolarHBondContact O-N 2.83Å; A438-E441 PolarHBondContact N-OE2 2.81Å; A438-E441 PolarHBondContact O-N 2.98Å
439	R	71	Confident	73.1	Confident	258 Å²	258	93.7 Å²	93.7	97%	0.974	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	88.7	-175	-174.3	-170.5	171.1	86.2	1.3	111.8
440	G	70.5	Confident	73.4	Confident	70 Å²	70	90.9 Å²	90.9	72%	0.722	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	141.4	-29.7	172.1	0	0	0	0	0	112.7	A438	A438-G440 PolarHBondContact O-N 2.83Å
441	E	71.9	Confident	73.7	Confident	107 Å²	107	94.9 Å²	94.9	50%	0.5	50%	0.496	S	S	.	.			trans	-62.8	148	178.4	-70.2	166	-172.7	0	0	112.7	L437 A438	L437-E441 HydrophobicContact CB-CB 3.84Å; L437-E441 HydrophobicContact CD1-CB 4.08Å; L437-E441 HydrophobicContact CD2-CB 4.29Å; L437-E441 HydrophobicContact CG-CB 4.28Å; A438-E441 PolarHBondContact N-OE2 2.81Å; A438-E441 PolarHBondContact O-N 2.98Å
442	N	73.1	Confident	74.5	Confident	84 Å²	84	89.8 Å²	89.8	45%	0.449	46%	0.46	S	S	.	.			trans	-133	150.3	173.7	-57.8	163	0	0	0	109.8	L437	L437-N442 VanDerWaalsContact CD1-C 3.48Å
443	Y	68.6	Low	75	Confident	23 Å²	23	90.7 Å²	90.7	9%	0.09	47%	0.469	C	S	.	.			trans	-73.6	140.2	170	-76.1	-67.7	0	0	0	111.9	Y427 H434 P435 L437 C445 G446 Y447	Y427-Y443 HydrophobicContact CD2-CD1 4.28Å; Y427-Y443 AromaticContact CD2-CE1 3.74Å; Y427-Y443 HydrophobicContact CD2-CE1 3.74Å; Y427-Y443 AromaticContact CE2-CE1 3.84Å; Y427-Y443 HydrophobicContact CE2-CE1 3.84Å; H434-Y443 HydrophobicContact CB-CD2 4.36Å; H434-Y443 HydrophobicContact CB-CE1 4.21Å; H434-Y443 HydrophobicContact CB-CE2 3.78Å; H434-Y443 AromaticContact CD2-CD1 3.71Å; H434-Y443 AromaticContact CD2-CD2 3.99Å; H434-Y443 AromaticContact CD2-CE1 3.95Å; H434-Y443 AromaticContact CD2-CG 3.76Å; P435-Y443 VanDerWaalsContact C-OH 3.22Å; P435-Y443 WeakPolarHBondContact CA-OH 3.29Å; P435-Y443 WeakPolarHBondContact CD-OH 3.44Å; P435-Y443 VanDerWaalsContact CG-OH 3.27Å; P435-Y443 WeakPolarHBondContact CG-OH 3.31Å; P435-Y443 PolarHBondContact O-OH 3.26Å; L437-Y443 HydrophobicContact CD1-CD1 4.16Å; L437-Y443 HydrophobicContact CD1-CD2 3.53Å; L437-Y443 HydrophobicContact CD1-CE1 4.07Å; L437-Y443 HydrophobicContact CD1-CE2 3.44Å; L437-Y443 VanDerWaalsContact CD1-CE2 3.44Å; L437-Y443 HydrophobicContact CD1-CG 3.87Å; L437-Y443 HydrophobicContact CD2-CE1 3.98Å; L437-Y443 HydrophobicContact CD2-CE2 4.32Å; L437-Y443 HydrophobicContact CG-CD2 4.19Å; L437-Y443 HydrophobicContact CG-CE1 4.11Å; L437-Y443 HydrophobicContact CG-CE2 3.56Å; L437-Y443 VanDerWaalsContact CG-CZ 3.47Å; Y443-C445 VanDerWaalsContact C-N 3.31Å; Y443-C445 PolarHBondContact O-N 3.29Å; Y443-G446 WeakPolarHBondContact O-CA 3.45Å; Y443-G446 PolarHBondContact O-N 3.46Å; Y443-Y447 HydrophobicContact CD2-CD1 4.09Å; Y443-Y447 HydrophobicContact CD2-CG 4.49Å; Y443-Y447 HydrophobicContact CE2-CD1 4.3Å
444	I	70.4	Confident	75.4	Confident	124 Å²	124	89.5 Å²	89.5	64%	0.636	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-38.1	178.8	-54.6	177.1	0	0	0	111	V423 G446	V423-I444 HydrophobicContact CB-CG2 4.11Å; V423-I444 HydrophobicContact CG1-CD1 3.79Å; V423-I444 HydrophobicContact CG1-CG2 4.23Å; V423-I444 VanDerWaalsContact O-CG2 3.3Å; V423-I444 WeakPolarHBondContact O-CG2 3.41Å; I444-G446 PolarHBondContact O-N 2.85Å; I444-G446 VanDerWaalsContact O-N 3.16Å
445	C	74.1	Confident	75.8	Confident	56 Å²	56	90.4 Å²	90.4	38%	0.378	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	4.2	171	59.2	0	0	0	0	114.7	C425 C428 H434 Y443 Y447	C425-C445 HydrophobicContact CB-CB 3.53Å; C425-C445 VanDerWaalsContact CB-SG 3.5Å; C425-C445 VanDerWaalsContact SG-SG 3.66Å; C428-C445 VanDerWaalsContact SG-SG 3.63Å; H434-C445 PolarHBondContact NE2-SG 2.95Å; Y443-C445 VanDerWaalsContact C-N 3.31Å; Y443-C445 PolarHBondContact O-N 3.29Å; C445-Y447 PolarHBondContact O-N 3.38Å
446	G	73.3	Confident	76.1	Confident	46 Å²	46	96.5 Å²	96.5	47%	0.474	48%	0.479	S	S	.	.			trans	68.2	16.2	-177.8	0	0	0	0	0	115.2	Y443 I444 K448	Y443-G446 WeakPolarHBondContact O-CA 3.45Å; Y443-G446 PolarHBondContact O-N 3.46Å; I444-G446 PolarHBondContact O-N 2.85Å; I444-G446 VanDerWaalsContact O-N 3.16Å; G446-K448 WeakPolarHBondContact O-CG 3.41Å; G446-K448 PolarHBondContact O-N 3.4Å
447	Y	74.7	Confident	77.1	Confident	95 Å²	95	90.4 Å²	90.4	37%	0.373	46%	0.457	S	S	.	.			trans	-57	128.8	-178.7	-175	-92.1	0	0	0	112.3	H434 Y443 C445 P449	H434-Y447 HydrophobicContact CB-CD1 3.62Å; H434-Y447 HydrophobicContact CB-CE1 3.77Å; H434-Y447 HydrophobicContact CB-CG 4.13Å; H434-Y447 VanDerWaalsContact CD2-CB 3.43Å; H434-Y447 WeakPolarHBondContact CD2-CB 3.33Å; H434-Y447 AromaticContact CD2-CD1 3.91Å; H434-Y447 AromaticContact CD2-CG 3.56Å; H434-Y447 AromaticContact CG-CD1 3.87Å; H434-Y447 AromaticContact CG-CG 3.83Å; Y443-Y447 HydrophobicContact CD2-CD1 4.09Å; Y443-Y447 HydrophobicContact CD2-CG 4.49Å; Y443-Y447 HydrophobicContact CE2-CD1 4.3Å; C445-Y447 PolarHBondContact O-N 3.38Å; Y447-P449 HydrophobicContact CE1-CB 3.97Å; Y447-P449 HydrophobicContact CE1-CG 4.41Å
448	K	80.6	Confident	78	Confident	80 Å²	80	88.8 Å²	88.8	35%	0.348	45%	0.451	S	S	.	.			trans	-134.3	98.7	-171.2	-81.7	162.9	161.6	-156.6	0	109.2	G446 Y450 S458 T460	G446-K448 WeakPolarHBondContact O-CG 3.41Å; G446-K448 PolarHBondContact O-N 3.4Å; K448-Y450 VanDerWaalsContact C-N 3.27Å; K448-Y450 PolarHBondContact O-N 3.34Å; K448-S458 WeakPolarHBondContact CD-O 3.38Å; K448-S458 WeakPolarHBondContact CE-O 3.47Å; K448-S458 PolarHBondContact NZ-O 3.22Å; K448-T460 HydrophobicContact CG-CG2 3.97Å
449	P	77.4	Confident	78.7	Confident	71 Å²	71	86.1 Å²	86.1	46%	0.461	43%	0.429	S	S	.	.	S	Bend	trans	-69.6	-21.1	-172.8	24.5	-33.1	0	0	0	113.9	Y447	Y447-P449 HydrophobicContact CE1-CB 3.97Å; Y447-P449 HydrophobicContact CE1-CG 4.41Å
450	Y	83	Confident	79.2	Confident	58 Å²	58	76.1 Å²	76.1	23%	0.227	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	107	-179.7	-59.8	-74.7	0	0	0	110.1	K448 S458 T459 K462	K448-Y450 VanDerWaalsContact C-N 3.27Å; K448-Y450 PolarHBondContact O-N 3.34Å; Y450-S458 WeakPolarHBondContact O-CA 3.45Å; Y450-T459 PolarHBondContact N-O 3.08Å; Y450-T459 PolarHBondContact O-N 2.98Å; Y450-K462 HydrophobicContact CD1-CB 4.16Å; Y450-K462 HydrophobicContact CD1-CG 4.49Å; Y450-K462 HydrophobicContact CE1-CB 3.75Å; Y450-K462 HydrophobicContact CE1-CG 4.18Å; Y450-K462 HydrophobicContact CE2-CB 4.34Å
451	R	84.9	Confident	79.7	Confident	155 Å²	155	75.6 Å²	75.6	59%	0.585	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.8	151.8	171.7	-76.7	-172.5	166.4	103	-5.3	111.2	Y457 L465	R451-Y457 CarbonylContact C-O 3.51Å; R451-Y457 WeakPolarHBondContact CA-O 3.41Å; R451-L465 WeakPolarHBondContact O-CD2 3.4Å
452	C	88.5	Confident	80.3	Confident	4 Å²	4	77.8 Å²	77.8	3%	0.027	39%	0.387	C	S	.	.			trans	-96.2	124.7	164.6	173.5	0	0	0	0	108.7	C455 R456 Y457 L465 H468 H474	C452-C455 VanDerWaalsContact SG-SG 3.67Å; C452-R456 WeakPolarHBondContact O-CA 3.47Å; C452-R456 PolarHBondContact O-N 2.93Å; C452-Y457 PolarHBondContact N-O 2.87Å; C452-L465 HydrophobicContact CB-CD1 3.8Å; C452-H468 PolarHBondContact SG-NE2 3.34Å; C452-H474 PolarHBondContact SG-CE1 2.98Å
453	D	84.6	Confident	81	Confident	129 Å²	129	75.8 Å²	75.8	69%	0.69	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-31.9	-176.9	-56.8	-59.4	0	0	0	112.9
454	I	84.6	Confident	81.9	Confident	81 Å²	81	78 Å²	78	42%	0.415	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-51.6	-178.3	-57.5	-178.6	0	0	0	111.8	A478 L481	I454-A478 HydrophobicContact CD1-CB 4.2Å; I454-A478 HydrophobicContact CG2-CB 4.35Å; I454-L481 HydrophobicContact CG2-CD1 3.58Å
455	C	83.2	Confident	82.7	Confident	47 Å²	47	73.2 Å²	73.2	32%	0.318	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.2	10.4	-173.2	75.1	0	0	0	0	114.6	C452 Y457 H468	C452-C455 VanDerWaalsContact SG-SG 3.67Å; C455-Y457 PolarHBondContact O-N 3.13Å; C455-H468 PolarHBondContact SG-CE1 2.77Å; C455-H468 PolarHBondContact SG-NE2 2.75Å
456	R	82.2	Confident	83.4	Confident	190 Å²	190	73.4 Å²	73.4	72%	0.717	38%	0.38	S	S	*	.			trans	59.6	7.6	-179.7	-49.5	-56.6	-168.6	165.9	4.4	116.2	C452 S458	C452-R456 WeakPolarHBondContact O-CA 3.47Å; C452-R456 PolarHBondContact O-N 2.93Å; R456-S458 PolarHBondContact O-N 3.11Å
457	Y	87	Confident	84.1	Confident	94 Å²	94	77 Å²	77	37%	0.369	39%	0.387	S	S	.	.			trans	-52.1	136.6	173.3	174.1	-97.9	0	0	0	111.1	R451 C452 C455 T459 L465 H468	R451-Y457 CarbonylContact C-O 3.51Å; R451-Y457 WeakPolarHBondContact CA-O 3.41Å; C452-Y457 PolarHBondContact N-O 2.87Å; C455-Y457 PolarHBondContact O-N 3.13Å; Y457-T459 HydrophobicContact CE1-CG2 3.85Å; Y457-L465 HydrophobicContact CD1-CD1 4.41Å; Y457-H468 HydrophobicContact CD1-CB 3.74Å; Y457-H468 AromaticContact CD1-CD2 3.59Å; Y457-H468 AromaticContact CD1-CG 3.36Å; Y457-H468 AromaticContact CD1-ND1 3.81Å; Y457-H468 HydrophobicContact CE1-CB 3.66Å; Y457-H468 AromaticContact CE1-CG 3.81Å; Y457-H468 AromaticContact CG-CE1 3.92Å; Y457-H468 AromaticContact CG-CG 3.79Å; Y457-H468 AromaticContact CG-ND1 3.73Å
458	S	85.9	Confident	84.9	Confident	31 Å²	31	73.6 Å²	73.6	22%	0.217	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	135.9	-173.8	59.8	0	0	0	0	112.3	K448 Y450 R456	K448-S458 WeakPolarHBondContact CD-O 3.38Å; K448-S458 WeakPolarHBondContact CE-O 3.47Å; K448-S458 PolarHBondContact NZ-O 3.22Å; Y450-S458 WeakPolarHBondContact O-CA 3.45Å; R456-S458 PolarHBondContact O-N 3.11Å
459	T	84.2	Confident	85.3	Confident	6 Å²	6	74.5 Å²	74.5	4%	0.037	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	162.7	-172.6	-162.9	0	0	0	0	113	Y450 Y457 T461 N464 L465	Y450-T459 PolarHBondContact N-O 3.08Å; Y450-T459 PolarHBondContact O-N 2.98Å; Y457-T459 HydrophobicContact CE1-CG2 3.85Å; T459-T461 WeakPolarHBondContact CG2-O 3.28Å; T459-N464 HydrophobicContact CG2-CB 3.76Å; T459-N464 WeakPolarHBondContact OG1-CB 3.49Å; T459-N464 PolarHBondContact OG1-ND2 3.09Å; T459-L465 HydrophobicContact CG2-CB 3.98Å
460	T	81.6	Confident	85.7	Confident	48 Å²	48	78.5 Å²	78.5	29%	0.294	39%	0.394	S	S	.	.	S	Bend	trans	-87	-14.9	-175.3	49.5	0	0	0	0	113.7	K448	K448-T460 HydrophobicContact CG-CG2 3.97Å
461	T	80.9	Confident	85.8	Confident	59 Å²	59	77.6 Å²	77.6	36%	0.362	40%	0.396	S	S	.	.	S	Bend	trans	-131.7	144.6	-176.6	75.4	0	0	0	0	113.6	T459 G463 N464 L465	T459-T461 WeakPolarHBondContact CG2-O 3.28Å; T461-G463 PolarHBondContact O-N 3.36Å; T461-N464 PolarHBondContact O-N 2.68Å; T461-N464 WeakPolarHBondContact OG1-CB 3.4Å; T461-N464 PolarHBondContact OG1-N 3.33Å; T461-N464 PolarHBondContact OG1-ND2 2.85Å; T461-N464 PolarHBondContact OG1-OD1 2.99Å; T461-L465 PolarHBondContact O-N 3.26Å
462	K	84.2	Confident	85.7	Confident	153 Å²	153	75.4 Å²	75.4	67%	0.665	40%	0.396	S	S	*	.	H	α-helix	trans	-58.7	-36	176.5	-169.3	179.1	179.7	-178.5	0	112.2	Y450 L465 A466	Y450-K462 HydrophobicContact CD1-CB 4.16Å; Y450-K462 HydrophobicContact CD1-CG 4.49Å; Y450-K462 HydrophobicContact CE1-CB 3.75Å; Y450-K462 HydrophobicContact CE1-CG 4.18Å; Y450-K462 HydrophobicContact CE2-CB 4.34Å; K462-L465 PolarHBondContact O-N 3.47Å; K462-A466 PolarHBondContact O-N 3.18Å
463	G	87	Confident	85.4	Confident	41 Å²	41	83.5 Å²	83.5	42%	0.423	43%	0.431	S	S	.	.	H	α-helix	trans	-62.5	-42.6	177.6	0	0	0	0	0	112.8	T461 L465 A466 I467	T461-G463 PolarHBondContact O-N 3.36Å; G463-L465 VanDerWaalsContact C-N 3.31Å; G463-L465 PolarHBondContact O-N 2.73Å; G463-A466 PolarHBondContact O-N 3.37Å; G463-I467 VanDerWaalsContact O-CG1 3.31Å; G463-I467 WeakPolarHBondContact O-CG1 3.14Å; G463-I467 PolarHBondContact O-N 2.96Å
464	N	86.9	Confident	85.4	Confident	69 Å²	69	77.9 Å²	77.9	37%	0.369	40%	0.4	S	S	.	.	H	α-helix	trans	-65.4	-34.2	175.6	-69.6	-7	0	0	0	112.2	T459 T461 H468	T459-N464 HydrophobicContact CG2-CB 3.76Å; T459-N464 WeakPolarHBondContact OG1-CB 3.49Å; T459-N464 PolarHBondContact OG1-ND2 3.09Å; T461-N464 PolarHBondContact O-N 2.68Å; T461-N464 WeakPolarHBondContact OG1-CB 3.4Å; T461-N464 PolarHBondContact OG1-N 3.33Å; T461-N464 PolarHBondContact OG1-ND2 2.85Å; T461-N464 PolarHBondContact OG1-OD1 2.99Å; N464-H468 VanDerWaalsContact O-CB 3.27Å; N464-H468 WeakPolarHBondContact O-CB 3.45Å; N464-H468 PolarHBondContact O-N 3.19Å
465	L	87.9	Confident	85.4	Confident	25 Å²	25	77.9 Å²	77.9	13%	0.131	40%	0.401	C	S	.	.	H	α-helix	trans	-69	-41.2	175.2	-177.7	63.2	0	0	0	111.4	R451 C452 Y457 T459 T461 K462 G463 H468 M469	R451-L465 WeakPolarHBondContact O-CD2 3.4Å; C452-L465 HydrophobicContact CB-CD1 3.8Å; Y457-L465 HydrophobicContact CD1-CD1 4.41Å; T459-L465 HydrophobicContact CG2-CB 3.98Å; T461-L465 PolarHBondContact O-N 3.26Å; K462-L465 PolarHBondContact O-N 3.47Å; G463-L465 VanDerWaalsContact C-N 3.31Å; G463-L465 PolarHBondContact O-N 2.73Å; L465-H468 WeakPolarHBondContact O-CB 3.29Å; L465-H468 PolarHBondContact O-N 2.81Å; L465-M469 WeakPolarHBondContact O-CG 3.23Å; L465-M469 PolarHBondContact O-N 2.91Å
466	A	89.6	Confident	85.3	Confident	59 Å²	59	79.8 Å²	79.8	49%	0.488	41%	0.408	S	S	.	.	H	α-helix	trans	-63.2	-45.2	175.3	0	0	0	0	0	112.2	K462 G463 H468 M469 Q470	K462-A466 PolarHBondContact O-N 3.18Å; G463-A466 PolarHBondContact O-N 3.37Å; A466-H468 VanDerWaalsContact C-N 3.28Å; A466-H468 PolarHBondContact O-N 2.63Å; A466-M469 PolarHBondContact O-N 2.83Å; A466-Q470 WeakPolarHBondContact O-CB 3.48Å; A466-Q470 PolarHBondContact O-N 2.88Å
467	I	87.8	Confident	85.2	Confident	121 Å²	121	74.4 Å²	74.4	62%	0.621	39%	0.393	S	S	*	.	H	α-helix	trans	-61.4	-38.8	174.2	-67.1	164.2	0	0	0	110.9	G463 Q470 S471	G463-I467 VanDerWaalsContact O-CG1 3.31Å; G463-I467 WeakPolarHBondContact O-CG1 3.14Å; G463-I467 PolarHBondContact O-N 2.96Å; I467-Q470 PolarHBondContact O-N 2.82Å; I467-S471 PolarHBondContact O-N 2.66Å; I467-S471 VanDerWaalsContact O-N 3.13Å
468	H	90.7	Very high	84.9	Confident	25 Å²	25	70.5 Å²	70.5	12%	0.116	38%	0.38	C	S	.	.	H	α-helix	trans	-63	-47.6	174.8	164.2	68.2	0	0	0	112.2	C452 C455 Y457 N464 L465 A466 Q470 S471 H474	C452-H468 PolarHBondContact SG-NE2 3.34Å; C455-H468 PolarHBondContact SG-CE1 2.77Å; C455-H468 PolarHBondContact SG-NE2 2.75Å; Y457-H468 HydrophobicContact CD1-CB 3.74Å; Y457-H468 AromaticContact CD1-CD2 3.59Å; Y457-H468 AromaticContact CD1-CG 3.36Å; Y457-H468 AromaticContact CD1-ND1 3.81Å; Y457-H468 HydrophobicContact CE1-CB 3.66Å; Y457-H468 AromaticContact CE1-CG 3.81Å; Y457-H468 AromaticContact CG-CE1 3.92Å; Y457-H468 AromaticContact CG-CG 3.79Å; Y457-H468 AromaticContact CG-ND1 3.73Å; N464-H468 VanDerWaalsContact O-CB 3.27Å; N464-H468 WeakPolarHBondContact O-CB 3.45Å; N464-H468 PolarHBondContact O-N 3.19Å; L465-H468 WeakPolarHBondContact O-CB 3.29Å; L465-H468 PolarHBondContact O-N 2.81Å; A466-H468 VanDerWaalsContact C-N 3.28Å; A466-H468 PolarHBondContact O-N 2.63Å; H468-Q470 PolarHBondContact O-N 2.91Å; H468-S471 WeakPolarHBondContact O-CB 3.49Å; H468-S471 PolarHBondContact O-N 2.76Å; H468-S471 PolarHBondContact O-OG 2.75Å; H468-H474 AromaticContact CD2-ND1 3.78Å; H468-H474 AromaticContact CE1-ND1 3.6Å; H468-H474 AromaticContact NE2-CE1 3.91Å; H468-H474 AromaticContact NE2-CG 3.85Å; H468-H474 AromaticContact NE2-ND1 3.01Å; H468-H474 PolarHBondContact NE2-ND1 2.89Å; H468-H474 WeakPolarHBondContact O-CB 3.35Å
469	M	88.8	Confident	84.6	Confident	99 Å²	99	73.6 Å²	73.6	49%	0.488	39%	0.392	S	S	.	.	H	α-helix	trans	-64.4	-27.6	177.8	-68.5	-176.3	73.6	0	0	112.7	L465 A466 S471 H474	L465-M469 WeakPolarHBondContact O-CG 3.23Å; L465-M469 PolarHBondContact O-N 2.91Å; A466-M469 PolarHBondContact O-N 2.83Å; M469-S471 VanDerWaalsContact C-N 3.33Å; M469-H474 PolarHBondContact O-CD2 2.96Å; M469-H474 VanDerWaalsContact O-CD2 3.24Å
470	Q	86.3	Confident	84.1	Confident	155 Å²	155	79.3 Å²	79.3	72%	0.724	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-5.2	174.1	-166.4	54.5	71	0	0	113.7	A466 I467 H468	A466-Q470 WeakPolarHBondContact O-CB 3.48Å; A466-Q470 PolarHBondContact O-N 2.88Å; I467-Q470 PolarHBondContact O-N 2.82Å; H468-Q470 PolarHBondContact O-N 2.91Å
471	S	85.5	Confident	83.6	Confident	38 Å²	38	81 Å²	81	27%	0.266	43%	0.425	S	S	.	.	S	Bend	trans	-81.1	142.4	-177	73	0	0	0	0	112.4	I467 H468 M469 K473 H474 L475	I467-S471 PolarHBondContact O-N 2.66Å; I467-S471 VanDerWaalsContact O-N 3.13Å; H468-S471 WeakPolarHBondContact O-CB 3.49Å; H468-S471 PolarHBondContact O-N 2.76Å; H468-S471 PolarHBondContact O-OG 2.75Å; M469-S471 VanDerWaalsContact C-N 3.33Å; S471-K473 PolarHBondContact O-N 2.86Å; S471-K473 VanDerWaalsContact O-N 3.16Å; S471-H474 WeakPolarHBondContact O-CA 3.23Å; S471-H474 WeakPolarHBondContact O-CB 3.25Å; S471-H474 PolarHBondContact O-N 2.85Å; S471-L475 PolarHBondContact O-N 2.89Å
472	D	82.9	Confident	83	Confident	109 Å²	109	84.3 Å²	84.3	58%	0.583	44%	0.436	S	S	*	.	H	α-helix	trans	-57.3	-37.2	-174.7	-37.3	-74.4	0	0	0	111.9	H474 L475 N476	D472-H474 VanDerWaalsContact C-N 3.31Å; D472-H474 PolarHBondContact O-N 2.8Å; D472-L475 PolarHBondContact O-N 2.94Å; D472-N476 WeakPolarHBondContact O-CB 3.2Å; D472-N476 VanDerWaalsContact O-CG 3.23Å; D472-N476 PolarHBondContact O-N 3.39Å; D472-N476 PolarHBondContact O-OD1 2.91Å; D472-N476 VanDerWaalsContact O-OD1 3.1Å
473	K	81.5	Confident	82.3	Confident	174 Å²	174	83.4 Å²	83.4	76%	0.757	43%	0.434	S	S	*	.	H	α-helix	trans	-66.2	-27.8	175.6	-62.4	-168.9	178.7	-169.8	0	114	S471 N477	S471-K473 PolarHBondContact O-N 2.86Å; S471-K473 VanDerWaalsContact O-N 3.16Å; K473-N477 PolarHBondContact O-OD1 2.91Å; K473-N477 VanDerWaalsContact O-OD1 3.06Å
474	H	85.8	Confident	81	Confident	11 Å²	11	83.8 Å²	83.8	5%	0.051	43%	0.433	C	S	.	.	H	α-helix	trans	-77.4	-45.4	171.7	175.6	95.2	0	0	0	110.3	C452 H468 M469 S471 D472 N477 A478	C452-H474 PolarHBondContact SG-CE1 2.98Å; H468-H474 AromaticContact CD2-ND1 3.78Å; H468-H474 AromaticContact CE1-ND1 3.6Å; H468-H474 AromaticContact NE2-CE1 3.91Å; H468-H474 AromaticContact NE2-CG 3.85Å; H468-H474 AromaticContact NE2-ND1 3.01Å; H468-H474 PolarHBondContact NE2-ND1 2.89Å; H468-H474 WeakPolarHBondContact O-CB 3.35Å; M469-H474 PolarHBondContact O-CD2 2.96Å; M469-H474 VanDerWaalsContact O-CD2 3.24Å; S471-H474 WeakPolarHBondContact O-CA 3.23Å; S471-H474 WeakPolarHBondContact O-CB 3.25Å; S471-H474 PolarHBondContact O-N 2.85Å; D472-H474 VanDerWaalsContact C-N 3.31Å; D472-H474 PolarHBondContact O-N 2.8Å; H474-N477 PolarHBondContact O-N 2.87Å; H474-A478 VanDerWaalsContact O-CB 3.3Å; H474-A478 WeakPolarHBondContact O-CB 3.47Å; H474-A478 PolarHBondContact O-N 3.07Å
475	L	84.6	Confident	79.8	Confident	82 Å²	82	87.3 Å²	87.3	43%	0.429	45%	0.448	S	S	.	.	H	α-helix	trans	-62.6	-45.6	-176.7	-175.5	59.5	0	0	0	112.1	S471 D472 A478 Q479	S471-L475 PolarHBondContact O-N 2.89Å; D472-L475 PolarHBondContact O-N 2.94Å; L475-A478 PolarHBondContact O-N 3.47Å; L475-Q479 HydrophobicContact CD1-CG 4.5Å; L475-Q479 WeakPolarHBondContact O-CG 3.34Å; L475-Q479 PolarHBondContact O-N 2.9Å
476	N	80.9	Confident	78.4	Confident	86 Å²	86	92.6 Å²	92.6	46%	0.46	47%	0.47	S	S	.	.	H	α-helix	trans	-60.7	-51.2	177.3	-66.3	13.6	0	0	0	111.1	D472 A478 Q479 E480	D472-N476 WeakPolarHBondContact O-CB 3.2Å; D472-N476 VanDerWaalsContact O-CG 3.23Å; D472-N476 PolarHBondContact O-N 3.39Å; D472-N476 PolarHBondContact O-OD1 2.91Å; D472-N476 VanDerWaalsContact O-OD1 3.1Å; N476-A478 PolarHBondContact O-N 3.1Å; N476-Q479 PolarHBondContact O-N 3.03Å; N476-Q479 VanDerWaalsContact O-N 3.1Å; N476-E480 WeakPolarHBondContact O-CG 3.43Å; N476-E480 PolarHBondContact O-N 3.04Å
477	N	79	Confident	76.9	Confident	77 Å²	77	96.4 Å²	96.4	41%	0.412	48%	0.481	S	S	.	.	H	α-helix	trans	-61.1	-32.3	178	-67.2	24.2	0	0	0	112.6	K473 H474 L481	K473-N477 PolarHBondContact O-OD1 2.91Å; K473-N477 VanDerWaalsContact O-OD1 3.06Å; H474-N477 PolarHBondContact O-N 2.87Å; N477-L481 PolarHBondContact O-N 3.1Å; N477-L481 VanDerWaalsContact O-N 3.17Å
478	A	80.7	Confident	75	Confident	12 Å²	12	95.8 Å²	95.8	10%	0.099	49%	0.488	C	S	.	.	H	α-helix	trans	-72.8	-37	175.5	0	0	0	0	0	112.2	I454 H474 L475 N476 L481 Q482	I454-A478 HydrophobicContact CD1-CB 4.2Å; I454-A478 HydrophobicContact CG2-CB 4.35Å; H474-A478 VanDerWaalsContact O-CB 3.3Å; H474-A478 WeakPolarHBondContact O-CB 3.47Å; H474-A478 PolarHBondContact O-N 3.07Å; L475-A478 PolarHBondContact O-N 3.47Å; N476-A478 PolarHBondContact O-N 3.1Å; A478-L481 PolarHBondContact O-N 3.27Å; A478-Q482 WeakPolarHBondContact O-CG 3.23Å; A478-Q482 PolarHBondContact O-N 3.32Å
479	Q	80.8	Confident	72.8	Confident	97 Å²	97	96.9 Å²	96.9	45%	0.453	51%	0.505	S	S	.	.	H	α-helix	trans	-67.8	-40.8	173.8	-73.7	174.1	-13.5	0	0	112	L475 N476 L481 Q482 Q483	L475-Q479 HydrophobicContact CD1-CG 4.5Å; L475-Q479 WeakPolarHBondContact O-CG 3.34Å; L475-Q479 PolarHBondContact O-N 2.9Å; N476-Q479 PolarHBondContact O-N 3.03Å; N476-Q479 VanDerWaalsContact O-N 3.1Å; Q479-L481 VanDerWaalsContact C-N 3.34Å; Q479-L481 PolarHBondContact O-N 2.96Å; Q479-Q482 PolarHBondContact O-N 3.46Å; Q479-Q483 PolarHBondContact O-N 3.29Å
480	E	73.9	Confident	70.8	Confident	126 Å²	126	101 Å²	101	59%	0.589	52%	0.516	S	S	*	.	H	α-helix	trans	-59.3	-43.8	172.6	-72.8	174.3	-179.1	0	0	111.5	N476 Q482 Q483 A484	N476-E480 WeakPolarHBondContact O-CG 3.43Å; N476-E480 PolarHBondContact O-N 3.04Å; E480-Q482 PolarHBondContact O-N 2.8Å; E480-Q483 PolarHBondContact O-N 2.83Å; E480-A484 WeakPolarHBondContact O-CB 3.37Å; E480-A484 PolarHBondContact O-N 2.88Å
481	L	69.6	Low	68.4	Low	84 Å²	84	103.4 Å²	103.4	44%	0.44	53%	0.527	S	S	.	.	H	α-helix	trans	-63.9	-37.8	174.8	-86.5	162.4	0	0	0	112.9	I454 N477 A478 Q479 Q485	I454-L481 HydrophobicContact CG2-CD1 3.58Å; N477-L481 PolarHBondContact O-N 3.1Å; N477-L481 VanDerWaalsContact O-N 3.17Å; A478-L481 PolarHBondContact O-N 3.27Å; Q479-L481 VanDerWaalsContact C-N 3.34Å; Q479-L481 PolarHBondContact O-N 2.96Å; L481-Q485 WeakPolarHBondContact O-CG 3.25Å; L481-Q485 PolarHBondContact O-N 3.47Å
482	Q	69.7	Low	66.1	Low	128 Å²	128	105.5 Å²	105.5	60%	0.598	55%	0.546	S	S	*	.	H	α-helix	trans	-68.5	-39.9	174.6	-74.6	174.5	-11.2	0	0	112.2	A478 Q479 E480 Q485 F486	A478-Q482 WeakPolarHBondContact O-CG 3.23Å; A478-Q482 PolarHBondContact O-N 3.32Å; Q479-Q482 PolarHBondContact O-N 3.46Å; E480-Q482 PolarHBondContact O-N 2.8Å; Q482-Q485 PolarHBondContact O-N 3.19Å; Q482-F486 WeakPolarHBondContact O-CB 3.3Å; Q482-F486 PolarHBondContact O-N 3.43Å
483	Q	67.7	Low	63.8	Low	133 Å²	133	107.4 Å²	107.4	62%	0.621	56%	0.557	S	S	*	*	H	α-helix	trans	-65.8	-41.2	173.9	-78.3	-172.3	-15.1	0	0	112.1	Q479 E480 Q485 F486 L487	Q479-Q483 PolarHBondContact O-N 3.29Å; E480-Q483 PolarHBondContact O-N 2.83Å; Q483-Q485 PolarHBondContact O-N 2.91Å; Q483-F486 PolarHBondContact O-N 2.66Å; Q483-L487 WeakPolarHBondContact O-CG 3.39Å; Q483-L487 PolarHBondContact O-N 2.9Å
484	A	59.8	Low	62	Low	49 Å²	49	103.8 Å²	103.8	41%	0.405	55%	0.553	S	S	.	*	H	α-helix	trans	-59.1	-46.1	173.9	0	0	0	0	0	111.4	E480 F486 L487 S488	E480-A484 WeakPolarHBondContact O-CB 3.37Å; E480-A484 PolarHBondContact O-N 2.88Å; A484-F486 VanDerWaalsContact C-N 3.3Å; A484-F486 PolarHBondContact O-N 3.2Å; A484-L487 PolarHBondContact O-N 2.91Å; A484-S488 WeakPolarHBondContact O-CB 3.36Å; A484-S488 PolarHBondContact O-N 3.3Å; A484-S488 PolarHBondContact O-OG 3.23Å
485	Q	62.5	Low	59.6	Low	143 Å²	143	111 Å²	111	67%	0.668	59%	0.592	S	S	*	*	H	α-helix	trans	-63.5	-32.2	175.6	-74.1	178	-21.4	0	0	113.2	L481 Q482 Q483 G489	L481-Q485 WeakPolarHBondContact O-CG 3.25Å; L481-Q485 PolarHBondContact O-N 3.47Å; Q482-Q485 PolarHBondContact O-N 3.19Å; Q483-Q485 PolarHBondContact O-N 2.91Å; Q485-G489 PolarHBondContact O-N 3.29Å
486	F	57.7	Low	57.5	Low	137 Å²	137	112 Å²	112	60%	0.601	61%	0.612	S	S	*	*	H	α-helix	trans	-77.2	-31.5	177.4	-162.5	-100.4	0	0	0	113.3	Q482 Q483 A484	Q482-F486 WeakPolarHBondContact O-CB 3.3Å; Q482-F486 PolarHBondContact O-N 3.43Å; Q483-F486 PolarHBondContact O-N 2.66Å; A484-F486 VanDerWaalsContact C-N 3.3Å; A484-F486 PolarHBondContact O-N 3.2Å
487	L	57.9	Low	55.2	Low	139 Å²	139	112.9 Å²	112.9	73%	0.728	63%	0.625	S	S	*	*	H	α-helix	trans	-80	-35.6	176.9	-69.2	172	0	0	0	112.6	Q483 A484 G489	Q483-L487 WeakPolarHBondContact O-CG 3.39Å; Q483-L487 PolarHBondContact O-N 2.9Å; A484-L487 PolarHBondContact O-N 2.91Å; L487-G489 PolarHBondContact O-N 3.29Å
488	S	48.8	Very low	53	Low	108 Å²	108	117.5 Å²	117.5	76%	0.755	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.6	-2.7	173.5	-59.2	0	0	0	0	114.2	A484	A484-S488 WeakPolarHBondContact O-CB 3.36Å; A484-S488 PolarHBondContact O-N 3.3Å; A484-S488 PolarHBondContact O-OG 3.23Å
489	G	45.5	Very low	51	Low	47 Å²	47	123.5 Å²	123.5	49%	0.485	68%	0.679	S	S	.	*	T	Hydrogen-bonded Turn	trans	-96.7	13	-173.2	0	0	0	0	0	116.2	Q485 L487	Q485-G489 PolarHBondContact O-N 3.29Å; L487-G489 PolarHBondContact O-N 3.29Å
490	R	45.6	Very low	48.6	Very low	187 Å²	187	123.3 Å²	123.3	71%	0.706	69%	0.693	S	S	*	*	S	Bend	trans	-116.8	3.4	-169.8	-91.7	-178.7	164.6	175.8	-5	117.1
491	E	36.6	Very low	46.6	Very low	204 Å²	204	121.8 Å²	121.8	95%	0.953	70%	0.702	S	S	*	*	S	Bend	trans	-123.8	35.8	177.8	-61.1	-162.2	135.3	0	0	112.6
492	A	37.1	Very low	45.3	Very low	82 Å²	82	125 Å²	125	68%	0.678	72%	0.718	S	S	*	*			trans	-134.3	11	-179.3	0	0	0	0	0	114.7	S494	A492-S494 VanDerWaalsContact C-N 3.27Å; A492-S494 PolarHBondContact O-N 2.97Å
493	D	34.8	Very low	43.9	Very low	150 Å²	150	125.1 Å²	125.1	80%	0.802	73%	0.728	S	S	*	*			trans	-80.9	64.9	178.6	-79.8	-41.9	0	0	0	112.5
494	S	42.1	Very low	42.2	Very low	97 Å²	97	122.1 Å²	122.1	68%	0.678	73%	0.732	S	S	*	*	S	Bend	trans	-172.5	144	157.2	-84.4	0	0	0	0	112.5	A492	A492-S494 VanDerWaalsContact C-N 3.27Å; A492-S494 PolarHBondContact O-N 2.97Å
495	N	37	Very low	41.3	Very low	164 Å²	164	127.7 Å²	127.7	88%	0.877	75%	0.754	S	S	*	*			trans	69.1	60.5	161.6	-49.8	-36.2	0	0	0	118.7
496	A	39	Very low	39.7	Very low	103 Å²	103	126.1 Å²	126.1	85%	0.851	76%	0.759	S	S	*	*			trans	-148.3	53.3	165.4	0	0	0	0	0	114.6
497	S	32.8	Very low	38.7	Very low	103 Å²	103	125.4 Å²	125.4	72%	0.72	77%	0.766	S	S	*	*			trans	-90	154.2	159.4	-171.2	0	0	0	0	109.8
498	H	34.3	Very low	37.8	Very low	175 Å²	175	125.9 Å²	125.9	81%	0.81	77%	0.766	S	S	*	*			trans	65.4	132.8	-162.9	-45.8	-95.9	0	0	0	111.5
499	V	37.8	Very low	37	Very low	138 Å²	138	130 Å²	130	84%	0.836	77%	0.77	S	S	*	*			cis	-138.8	154.6	25.9	170.4	0	0	0	0	110.7
500	A	30.8	Very low	36.5	Very low	92 Å²	92	133.1 Å²	133.1	76%	0.76	78%	0.782	S	S	*	*			trans	-123.3	164.3	172.6	0	0	0	0	0	112
501	A	32.6	Very low	35.8	Very low	94 Å²	94	134.8 Å²	134.8	78%	0.777	79%	0.788	S	S	*	*			trans	70.2	153.9	-165.2	0	0	0	0	0	112.5
502	I	41.3	Very low	35.7	Very low	151 Å²	151	135.4 Å²	135.4	77%	0.774	79%	0.788	S	S	*	*			cis	-149.6	145.1	43.1	-76.8	173.3	0	0	0	111.7
503	V	41.2	Very low	35.5	Very low	132 Å²	132	141 Å²	141	80%	0.8	79%	0.793	S	S	*	*			trans	63.2	138.9	165.4	168.9	0	0	0	0	118.6
504	G	31.1	Very low	35.5	Very low	69 Å²	69	138.7 Å²	138.7	71%	0.711	80%	0.795	S	S	*	*			cis	131.9	63.2	-13.9	0	0	0	0	0	117.5
505	I	40.2	Very low	34.9	Very low	167 Å²	167	138.9 Å²	138.9	86%	0.856	79%	0.792	S	S	*	*			trans	-134.3	135.2	162.2	-60.7	-178.1	0	0	0	109.6
506	S	30.4	Very low	34.8	Very low	110 Å²	110	137.9 Å²	137.9	77%	0.769	79%	0.792	S	S	*	*			trans	-118	145.3	178.3	-70	0	0	0	0	111.3
507	T	36.4	Very low	34.5	Very low	122 Å²	122	143.6 Å²	143.6	75%	0.748	79%	0.791	S	S	*	*			trans	-172	139.9	131.2	13.7	0	0	0	0	113.8
508	M	37.5	Very low	34.2	Very low	148 Å²	148	146.9 Å²	146.9	73%	0.729	80%	0.8	S	S	*	*			trans	48.9	101.5	154	-61.8	-175.4	-106.8	0	0	120.1
509	F	32.9	Very low	34.1	Very low	195 Å²	195	146.5 Å²	146.5	86%	0.855	80%	0.803	S	S	*	*				177.2	161.2	105.5	-88.6	-58	0	0	0	109.8
510	P	34.1	Very low	33.7	Very low	113 Å²	113	143.9 Å²	143.9	73%	0.734	79%	0.791	S	S	*	*			trans	-113.6	140.7	-136.1	15.8	6.1	0	0	0	117
511	R	31.7	Very low	33.7	Very low	221 Å²	221	146.2 Å²	146.2	83%	0.834	79%	0.79	S	S	*	*			trans	22.7	104.9	141.1	-68.8	178.7	168.4	138	-3.2	118.1
512	F	35	Very low	33.7	Very low	217 Å²	217	148.5 Å²	148.5	95%	0.952	79%	0.79	S	S	*	*				-137	91.7	125.2	-104.5	-80.9	0	0	0	108.6
513	Y	33.1	Very low	33.4	Very low	200 Å²	200	149 Å²	149	78%	0.784	79%	0.789	S	S	*	*			trans	-95.1	135.8	172.7	-91.9	-93	0	0	0	109.6
514	A	33.9	Very low	32.7	Very low	101 Å²	101	150.1 Å²	150.1	84%	0.835	79%	0.789	S	S	*	*			trans	-140.7	79.6	158.7	0	0	0	0	0	107.4
515	T	30.8	Very low	32.7	Very low	101 Å²	101	151.9 Å²	151.9	62%	0.62	79%	0.791	S	S	*	*			trans	-70.6	133.3	-176.2	-44	0	0	0	0	110.6	R517	T515-R517 HydrophobicContact CG2-CG 4.23Å
516	V	33.9	Very low	32.1	Very low	143 Å²	143	151.1 Å²	151.1	87%	0.867	79%	0.794	S	S	*	*			trans	-118.6	110	155.8	-177.5	0	0	0	0	107
517	R	32.1	Very low	32.2	Very low	223 Å²	223	152.6 Å²	152.6	84%	0.842	79%	0.792	S	S	*	*			trans	-83.2	147.6	167	-84	-172.1	168.8	-161.2	-3.4	108.7	T515	T515-R517 HydrophobicContact CG2-CG 4.23Å
518	L	26.2	Very low	31.6	Very low	172 Å²	172	152.3 Å²	152.3	90%	0.901	79%	0.794	S	S	*	*			trans	-58.7	136	162.3	-66.6	158.2	0	0	0	109.6
519	L	32.2	Very low	31.1	Very low	167 Å²	167	151 Å²	151	87%	0.874	80%	0.799	S	S	*	*			trans	-157.7	151.3	136.2	-104.7	164.6	0	0	0	107.9
520	S	29.4	Very low	30.9	Very low	84 Å²	84	147.3 Å²	147.3	59%	0.587	78%	0.784	S	S	*	*			trans	-58.9	164.6	-178.3	59.9	0	0	0	0	113.2
521	D	31.1	Very low	31	Very low	140 Å²	140	147.6 Å²	147.6	75%	0.749	79%	0.786	S	S	*	*			cis	-152.9	172.4	34.4	-87.4	-71.9	0	0	0	114.4
522	D	33.5	Very low	30.8	Very low	142 Å²	142	142.1 Å²	142.1	76%	0.759	78%	0.782	S	S	*	*			trans	128.8	116.4	143.2	-78.1	-26.3	0	0	0	120.1
523	H	34.2	Very low	31.3	Very low	163 Å²	163	139.4 Å²	139.4	76%	0.755	78%	0.775	S	S	*	*			trans	44.1	96	146.8	-75.4	-86.2	0	0	0	122.4
524	L	27.9	Very low	31.4	Very low	154 Å²	154	139.4 Å²	139.4	81%	0.806	78%	0.779	S	S	*	*				40.3	101.5	110.4	-173.1	79.3	0	0	0	118.7
525	S	30.2	Very low	32.1	Very low	107 Å²	107	141.9 Å²	141.9	75%	0.748	77%	0.771	S	S	*	*			trans	177.3	151.4	133.4	-83.9	0	0	0	0	113.9	I527	S525-I527 PolarHBondContact O-N 3.39Å; S525-I527 VanDerWaalsContact O-N 3.15Å
526	T	28.4	Very low	33.8	Very low	150 Å²	150	138.9 Å²	138.9	92%	0.92	76%	0.761	S	S	*	*			trans	-69.7	99.5	179.9	-54.8	0	0	0	0	112.7
527	I	31.1	Very low	36	Very low	142 Å²	142	136.4 Å²	136.4	73%	0.728	75%	0.748	S	S	*	*			trans	-134.7	131.8	174.1	-61.3	-177.2	0	0	0	111.6	S525	S525-I527 PolarHBondContact O-N 3.39Å; S525-I527 VanDerWaalsContact O-N 3.15Å
528	S	25.4	Very low	38.5	Very low	115 Å²	115	130.4 Å²	130.4	80%	0.804	73%	0.731	S	S	*	*			trans	-79.1	123.3	170.6	177.1	0	0	0	0	110.7
529	C	26.5	Very low	41.4	Very low	121 Å²	121	125.5 Å²	125.5	82%	0.818	70%	0.703	S	S	*	*			trans	-148	145.9	169.7	-116.2	0	0	0	0	112.3
530	Q	28.8	Very low	44.1	Very low	117 Å²	117	124.5 Å²	124.5	55%	0.547	69%	0.687	S	S	.	*			trans	-103.1	146.9	-176.2	-52.7	179.8	26.9	0	0	110.9	S532 K535	Q530-S532 VanDerWaalsContact C-N 3.32Å; Q530-S532 PolarHBondContact O-N 3.36Å; Q530-K535 VanDerWaalsContact CD-NZ 3.33Å
531	P	35.4	Very low	46.9	Very low	119 Å²	119	120.7 Å²	120.7	77%	0.773	66%	0.661	S	S	*	*			trans	-68.5	93.4	156.9	29.6	-31.9	0	0	0	108.5	I533	P531-I533 PolarHBondContact O-N 3.19Å
532	S	28.2	Very low	49.5	Very low	107 Å²	107	121.3 Å²	121.3	75%	0.748	66%	0.664	S	S	*	*			trans	-77.1	36.5	-169.5	51.2	0	0	0	0	114.8	Q530 K534	Q530-S532 VanDerWaalsContact C-N 3.32Å; Q530-S532 PolarHBondContact O-N 3.36Å; S532-K534 VanDerWaalsContact C-N 3.3Å; S532-K534 PolarHBondContact O-N 3.48Å
533	I	44.3	Very low	52	Low	160 Å²	160	117.1 Å²	117.1	82%	0.821	64%	0.641	S	S	*	*	S	Bend	trans	-87.6	73.5	177.6	-54	-180	0	0	0	109.2	P531	P531-I533 PolarHBondContact O-N 3.19Å
534	K	35.2	Very low	54.4	Low	199 Å²	199	111 Å²	111	87%	0.865	62%	0.616	S	S	*	*			trans	40.2	80.8	172.6	-65.3	-175.9	179.7	-179.8	0	114.5	S532 G536	S532-K534 VanDerWaalsContact C-N 3.3Å; S532-K534 PolarHBondContact O-N 3.48Å; K534-G536 PolarHBondContact O-N 3.38Å
535	K	50.4	Low	57.1	Low	153 Å²	153	110.4 Å²	110.4	67%	0.665	61%	0.614	S	S	*	*			trans	-49.6	112.9	161.8	-75	178.5	170.6	173.7	0	108.9	Q530	Q530-K535 VanDerWaalsContact CD-NZ 3.33Å
536	G	65.8	Low	59.9	Low	39 Å²	39	109.2 Å²	109.2	40%	0.402	59%	0.594	S	S	.	*			trans	-63.4	161.5	174.5	0	0	0	0	0	111.1	K534 I538	K534-G536 PolarHBondContact O-N 3.38Å; G536-I538 PolarHBondContact O-N 2.99Å
537	P	80.5	Confident	62.8	Low	91 Å²	91	106.6 Å²	106.6	59%	0.591	57%	0.571	S	S	*	*			trans	-53.4	125.1	176.1	21	-31.8	0	0	0	110.5	F539	P537-F539 HydrophobicContact CB-CE2 4.05Å; P537-F539 HydrophobicContact CB-CZ 3.93Å; P537-F539 HydrophobicContact CG-CE2 3.73Å; P537-F539 HydrophobicContact CG-CZ 3.64Å; P537-F539 WeakPolarHBondContact O-CD2 3.37Å; P537-F539 VanDerWaalsContact O-CE2 3.25Å; P537-F539 WeakPolarHBondContact O-CE2 3.5Å; P537-F539 PolarHBondContact O-N 3.42Å
538	I	84.3	Confident	65.5	Low	97 Å²	97	100.6 Å²	100.6	50%	0.497	54%	0.541	S	S	.	.			trans	-83.3	113.2	174.1	-57.5	176.1	0	0	0	106.9	G536 R540 E547	G536-I538 PolarHBondContact O-N 2.99Å; I538-R540 HydrophobicContact CG2-CG 4.18Å; I538-E547 HydrophobicContact CG2-CB 4.2Å; I538-E547 WeakPolarHBondContact CG2-OE2 3.3Å
539	F	85.9	Confident	68.5	Low	69 Å²	69	99.7 Å²	99.7	30%	0.303	53%	0.533	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	113.6	178	-63.5	-81	0	0	0	108.6	P537 T548 A551 L554	P537-F539 HydrophobicContact CB-CE2 4.05Å; P537-F539 HydrophobicContact CB-CZ 3.93Å; P537-F539 HydrophobicContact CG-CE2 3.73Å; P537-F539 HydrophobicContact CG-CZ 3.64Å; P537-F539 WeakPolarHBondContact O-CD2 3.37Å; P537-F539 VanDerWaalsContact O-CE2 3.25Å; P537-F539 WeakPolarHBondContact O-CE2 3.5Å; P537-F539 PolarHBondContact O-N 3.42Å; F539-T548 HydrophobicContact CB-CG2 4.18Å; F539-T548 WeakPolarHBondContact CB-O 3.38Å; F539-T548 PolarHBondContact N-O 2.93Å; F539-T548 PolarHBondContact O-N 2.88Å; F539-A551 HydrophobicContact CD1-CB 4.3Å; F539-A551 HydrophobicContact CD2-CB 4.06Å; F539-A551 HydrophobicContact CE1-CB 3.98Å; F539-A551 HydrophobicContact CE2-CB 3.72Å; F539-A551 HydrophobicContact CG-CB 4.34Å; F539-A551 HydrophobicContact CZ-CB 3.68Å; F539-L554 HydrophobicContact CB-CB 3.9Å; F539-L554 HydrophobicContact CB-CD2 3.79Å; F539-L554 HydrophobicContact CB-CG 4.35Å
540	R	89.4	Confident	71.2	Confident	145 Å²	145	97.9 Å²	97.9	55%	0.547	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	160	179.4	-60.8	-170.1	171.3	172.5	-14.5	111.7	I538 Y546 E547 L554	I538-R540 HydrophobicContact CG2-CG 4.18Å; R540-Y546 CarbonylContact C-O 3.59Å; R540-Y546 VanDerWaalsContact CA-O 3.31Å; R540-Y546 WeakPolarHBondContact CA-O 3.25Å; R540-E547 HydrophobicContact CG-CB 4.48Å; R540-E547 HydrophobicContact CG-CG 3.97Å; R540-E547 IonicContact CZ-OE1 3.1Å; R540-E547 IonicContact CZ-OE2 3.41Å; R540-E547 VanDerWaalsContact CZ-OE2 3.25Å; R540-E547 IonicContact NE-OE1 2.62Å; R540-E547 PolarHBondContact NE-OE1 3.24Å; R540-E547 IonicContact NE-OE2 3.62Å; R540-E547 PolarHBondContact NE-OE2 2.91Å; R540-E547 IonicContact NH2-OE1 3.83Å; R540-E547 PolarHBondContact NH2-OE1 3.32Å; R540-E547 VanDerWaalsContact NH2-OE1 3.11Å; R540-E547 IonicContact NH2-OE2 3.03Å; R540-E547 PolarHBondContact NH2-OE2 3.06Å; R540-L554 WeakPolarHBondContact O-CD1 3.46Å; R540-L554 WeakPolarHBondContact O-CD2 3.47Å
541	C	89.5	Confident	73.9	Confident	4 Å²	4	94.5 Å²	94.5	3%	0.027	51%	0.507	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	113.2	169.6	174	0	0	0	0	109.8	I543 C544 N545 Y546 L554 H557 M558 H563	C541-I543 PolarHBondContact O-N 3.19Å; C541-I543 VanDerWaalsContact O-N 3.16Å; C541-C544 HydrophobicContact CB-CB 4.41Å; C541-C544 PolarHBondContact O-N 3.22Å; C541-C544 PolarHBondContact SG-N 3.16Å; C541-N545 WeakPolarHBondContact O-CA 3.33Å; C541-N545 PolarHBondContact O-N 3.45Å; C541-Y546 PolarHBondContact N-O 2.95Å; C541-L554 HydrophobicContact CB-CD1 3.86Å; C541-H557 WeakPolarHBondContact CB-NE2 3.35Å; C541-H557 PolarHBondContact SG-NE2 3.29Å; C541-M558 HydrophobicContact CB-CE 3.82Å; C541-M558 VanDerWaalsContact SG-CE 3.55Å; C541-H563 VanDerWaalsContact SG-CE1 3.52Å; C541-H563 PolarHBondContact SG-ND1 2.92Å
542	D	85.6	Confident	76.3	Confident	154 Å²	154	97.9 Å²	97.9	82%	0.824	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-14.3	-175.9	-45.2	-54.6	0	0	0	113.2
543	I	85.8	Confident	79.2	Confident	54 Å²	54	94.8 Å²	94.8	28%	0.277	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-18.4	-179.3	-65.6	179.6	0	0	0	112.4	C541 N566 L570	C541-I543 PolarHBondContact O-N 3.19Å; C541-I543 VanDerWaalsContact O-N 3.16Å; I543-N566 HydrophobicContact CG2-CB 3.48Å; I543-N566 VanDerWaalsContact CG2-CB 3.48Å; I543-N566 PolarHBondContact O-ND2 3.17Å; I543-L570 HydrophobicContact CG1-CD2 4.16Å
544	C	83.8	Confident	81.2	Confident	33 Å²	33	88.6 Å²	88.6	22%	0.223	45%	0.447	C	S	.	.	T	Hydrogen-bonded Turn	trans	-135.6	-2	-172.2	-59.4	0	0	0	0	115	C541 Y546 H557	C541-C544 HydrophobicContact CB-CB 4.41Å; C541-C544 PolarHBondContact O-N 3.22Å; C541-C544 PolarHBondContact SG-N 3.16Å; C544-Y546 PolarHBondContact O-N 3.21Å; C544-H557 WeakPolarHBondContact CB-NE2 3.19Å
545	N	84.2	Confident	83.8	Confident	142 Å²	142	88.2 Å²	88.2	76%	0.759	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	51	25.3	-169.4	-63.9	-27.3	0	0	0	114	C541	C541-N545 WeakPolarHBondContact O-CA 3.33Å; C541-N545 PolarHBondContact O-N 3.45Å
546	Y	88.9	Confident	85.5	Confident	83 Å²	83	85.8 Å²	85.8	33%	0.325	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	122.3	176.8	174.5	-97.4	0	0	0	109.9	R540 C541 C544 T548 L554 H557	R540-Y546 CarbonylContact C-O 3.59Å; R540-Y546 VanDerWaalsContact CA-O 3.31Å; R540-Y546 WeakPolarHBondContact CA-O 3.25Å; C541-Y546 PolarHBondContact N-O 2.95Å; C544-Y546 PolarHBondContact O-N 3.21Å; Y546-T548 HydrophobicContact CE1-CG2 3.82Å; Y546-L554 HydrophobicContact CD1-CD1 4.21Å; Y546-H557 WeakPolarHBondContact CB-NE2 3.39Å; Y546-H557 HydrophobicContact CD1-CB 3.65Å; Y546-H557 AromaticContact CD1-CD2 3.41Å; Y546-H557 VanDerWaalsContact CD1-CD2 3.41Å; Y546-H557 WeakPolarHBondContact CD1-CD2 3.35Å; Y546-H557 AromaticContact CD1-CG 3.42Å; Y546-H557 VanDerWaalsContact CD1-CG 3.42Å; Y546-H557 HydrophobicContact CE1-CB 3.63Å; Y546-H557 AromaticContact CE1-CG 3.93Å; Y546-H557 HydrophobicContact CG-CB 4.31Å; Y546-H557 AromaticContact CG-CD2 3.7Å; Y546-H557 AromaticContact CG-CG 3.69Å; Y546-H557 AromaticContact CG-ND1 3.97Å; Y546-H557 AromaticContact CG-NE2 3.97Å
547	E	90.2	Very high	86.7	Confident	95 Å²	95	84.9 Å²	84.9	44%	0.444	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	142.9	179.9	-51.1	-155.8	-150.9	0	0	111.7	I538 R540	I538-E547 HydrophobicContact CG2-CB 4.2Å; I538-E547 WeakPolarHBondContact CG2-OE2 3.3Å; R540-E547 HydrophobicContact CG-CB 4.48Å; R540-E547 HydrophobicContact CG-CG 3.97Å; R540-E547 IonicContact CZ-OE1 3.1Å; R540-E547 IonicContact CZ-OE2 3.41Å; R540-E547 VanDerWaalsContact CZ-OE2 3.25Å; R540-E547 IonicContact NE-OE1 2.62Å; R540-E547 PolarHBondContact NE-OE1 3.24Å; R540-E547 IonicContact NE-OE2 3.62Å; R540-E547 PolarHBondContact NE-OE2 2.91Å; R540-E547 IonicContact NH2-OE1 3.83Å; R540-E547 PolarHBondContact NH2-OE1 3.32Å; R540-E547 VanDerWaalsContact NH2-OE1 3.11Å; R540-E547 IonicContact NH2-OE2 3.03Å; R540-E547 PolarHBondContact NH2-OE2 3.06Å
548	T	86.9	Confident	87.1	Confident	16 Å²	16	84.1 Å²	84.1	10%	0.098	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	147	171.8	-174.5	0	0	0	0	112.6	F539 Y546 I550 N553 L554	F539-T548 HydrophobicContact CB-CG2 4.18Å; F539-T548 WeakPolarHBondContact CB-O 3.38Å; F539-T548 PolarHBondContact N-O 2.93Å; F539-T548 PolarHBondContact O-N 2.88Å; Y546-T548 HydrophobicContact CE1-CG2 3.82Å; T548-I550 WeakPolarHBondContact CG2-O 3.19Å; T548-I550 PolarHBondContact O-N 2.84Å; T548-I550 PolarHBondContact OG1-N 2.84Å; T548-N553 HydrophobicContact CG2-CB 3.86Å; T548-L554 HydrophobicContact CG2-CB 3.98Å
549	C	87.8	Confident	87.2	Confident	95 Å²	95	83.2 Å²	83.2	64%	0.642	41%	0.408	S	S	*	.	S	Bend	trans	-80.2	0.7	171.4	57.8	0	0	0	0	113.7
550	I	84.7	Confident	87.3	Confident	83 Å²	83	81.6 Å²	81.6	43%	0.426	41%	0.405	S	S	.	.			trans	-119.2	109.5	-174.7	-56	178.2	0	0	0	110.1	T548 R552 N553 L554	T548-I550 WeakPolarHBondContact CG2-O 3.19Å; T548-I550 PolarHBondContact O-N 2.84Å; T548-I550 PolarHBondContact OG1-N 2.84Å; I550-R552 HydrophobicContact CG2-CB 4.12Å; I550-R552 PolarHBondContact O-N 3.19Å; I550-R552 VanDerWaalsContact O-N 3.07Å; I550-N553 HydrophobicContact CB-CB 4.12Å; I550-N553 HydrophobicContact CG2-CB 4.42Å; I550-N553 WeakPolarHBondContact O-CA 3.36Å; I550-N553 WeakPolarHBondContact O-CB 3.38Å; I550-N553 PolarHBondContact O-N 2.95Å; I550-L554 PolarHBondContact O-N 3.11Å
551	A	85.1	Confident	87	Confident	47 Å²	47	80 Å²	80	39%	0.388	40%	0.404	S	S	.	.	H	α-helix	trans	-54.2	-32.1	179.9	0	0	0	0	0	114.4	F539 R555	F539-A551 HydrophobicContact CD1-CB 4.3Å; F539-A551 HydrophobicContact CD2-CB 4.06Å; F539-A551 HydrophobicContact CE1-CB 3.98Å; F539-A551 HydrophobicContact CE2-CB 3.72Å; F539-A551 HydrophobicContact CG-CB 4.34Å; F539-A551 HydrophobicContact CZ-CB 3.68Å; A551-R555 PolarHBondContact O-N 3.2Å; A551-R555 VanDerWaalsContact O-N 3.1Å
552	R	86.5	Confident	86.8	Confident	190 Å²	190	87.3 Å²	87.3	72%	0.717	44%	0.435	S	S	*	.	H	α-helix	trans	-65.3	-37.4	173.4	176.3	176.6	-78.9	-175.5	-4.4	112	I550 R555 I556	I550-R552 HydrophobicContact CG2-CB 4.12Å; I550-R552 PolarHBondContact O-N 3.19Å; I550-R552 VanDerWaalsContact O-N 3.07Å; R552-R555 PolarHBondContact O-N 2.83Å; R552-I556 HydrophobicContact CG-CD1 3.89Å; R552-I556 HydrophobicContact CG-CG1 4.48Å; R552-I556 WeakPolarHBondContact O-CG1 3.49Å; R552-I556 PolarHBondContact O-N 2.73Å
553	N	87.7	Confident	86.9	Confident	41 Å²	41	81 Å²	81	22%	0.219	40%	0.401	C	S	.	.	H	α-helix	trans	-68.8	-40.3	179.3	-68.1	12.3	0	0	0	110.6	T548 I550 R555 I556 H557	T548-N553 HydrophobicContact CG2-CB 3.86Å; I550-N553 HydrophobicContact CB-CB 4.12Å; I550-N553 HydrophobicContact CG2-CB 4.42Å; I550-N553 WeakPolarHBondContact O-CA 3.36Å; I550-N553 WeakPolarHBondContact O-CB 3.38Å; I550-N553 PolarHBondContact O-N 2.95Å; N553-R555 VanDerWaalsContact C-N 3.35Å; N553-R555 PolarHBondContact O-N 3.39Å; N553-I556 PolarHBondContact O-N 3.24Å; N553-H557 WeakPolarHBondContact O-CB 3.38Å; N553-H557 PolarHBondContact O-N 3.11Å
554	L	87.8	Confident	87	Confident	30 Å²	30	81.2 Å²	81.2	16%	0.157	41%	0.407	C	S	.	.	H	α-helix	trans	-60	-46.9	172	-176.2	69.1	0	0	0	110.4	F539 R540 C541 Y546 T548 I550 I556 H557 M558	F539-L554 HydrophobicContact CB-CB 3.9Å; F539-L554 HydrophobicContact CB-CD2 3.79Å; F539-L554 HydrophobicContact CB-CG 4.35Å; R540-L554 WeakPolarHBondContact O-CD1 3.46Å; R540-L554 WeakPolarHBondContact O-CD2 3.47Å; C541-L554 HydrophobicContact CB-CD1 3.86Å; Y546-L554 HydrophobicContact CD1-CD1 4.21Å; T548-L554 HydrophobicContact CG2-CB 3.98Å; I550-L554 PolarHBondContact O-N 3.11Å; L554-I556 VanDerWaalsContact C-N 3.29Å; L554-I556 PolarHBondContact O-N 2.83Å; L554-H557 CarbonylContact O-C 3.52Å; L554-H557 WeakPolarHBondContact O-CA 3.47Å; L554-H557 WeakPolarHBondContact O-CB 3.48Å; L554-H557 PolarHBondContact O-N 3.34Å; L554-M558 HydrophobicContact CD1-CE 3.71Å; L554-M558 HydrophobicContact CG-CE 4.16Å; L554-M558 WeakPolarHBondContact O-CG 3.46Å; L554-M558 PolarHBondContact O-N 3.16Å
555	R	88.7	Confident	87	Confident	192 Å²	192	84.8 Å²	84.8	73%	0.725	42%	0.42	S	S	*	.	H	α-helix	trans	-59.7	-35.8	178.3	-166.4	-177.6	-61	-178.8	0.3	113.2	A551 R552 N553	A551-R555 PolarHBondContact O-N 3.2Å; A551-R555 VanDerWaalsContact O-N 3.1Å; R552-R555 PolarHBondContact O-N 2.83Å; N553-R555 VanDerWaalsContact C-N 3.35Å; N553-R555 PolarHBondContact O-N 3.39Å
556	I	87.4	Confident	87.2	Confident	101 Å²	101	81.3 Å²	81.3	52%	0.518	40%	0.402	S	S	.	.	H	α-helix	trans	-71.1	-40	173.4	-67.7	165.1	0	0	0	110.5	R552 N553 L554 M558 T559 S560	R552-I556 HydrophobicContact CG-CD1 3.89Å; R552-I556 HydrophobicContact CG-CG1 4.48Å; R552-I556 WeakPolarHBondContact O-CG1 3.49Å; R552-I556 PolarHBondContact O-N 2.73Å; N553-I556 PolarHBondContact O-N 3.24Å; L554-I556 VanDerWaalsContact C-N 3.29Å; L554-I556 PolarHBondContact O-N 2.83Å; I556-M558 VanDerWaalsContact C-N 3.34Å; I556-M558 PolarHBondContact O-N 3.06Å; I556-T559 CarbonylContact O-C 3.49Å; I556-T559 WeakPolarHBondContact O-CA 3.41Å; I556-T559 PolarHBondContact O-N 2.89Å; I556-T559 PolarHBondContact O-OG1 2.72Å; I556-S560 PolarHBondContact O-N 2.74Å
557	H	91.1	Very high	87	Confident	21 Å²	21	79.6 Å²	79.6	10%	0.097	40%	0.402	C	S	.	.	H	α-helix	trans	-63	-35.9	175.6	170.4	61.7	0	0	0	112.9	C541 C544 Y546 N553 L554 T559 S560 H563	C541-H557 WeakPolarHBondContact CB-NE2 3.35Å; C541-H557 PolarHBondContact SG-NE2 3.29Å; C544-H557 WeakPolarHBondContact CB-NE2 3.19Å; Y546-H557 WeakPolarHBondContact CB-NE2 3.39Å; Y546-H557 HydrophobicContact CD1-CB 3.65Å; Y546-H557 AromaticContact CD1-CD2 3.41Å; Y546-H557 VanDerWaalsContact CD1-CD2 3.41Å; Y546-H557 WeakPolarHBondContact CD1-CD2 3.35Å; Y546-H557 AromaticContact CD1-CG 3.42Å; Y546-H557 VanDerWaalsContact CD1-CG 3.42Å; Y546-H557 HydrophobicContact CE1-CB 3.63Å; Y546-H557 AromaticContact CE1-CG 3.93Å; Y546-H557 HydrophobicContact CG-CB 4.31Å; Y546-H557 AromaticContact CG-CD2 3.7Å; Y546-H557 AromaticContact CG-CG 3.69Å; Y546-H557 AromaticContact CG-ND1 3.97Å; Y546-H557 AromaticContact CG-NE2 3.97Å; N553-H557 WeakPolarHBondContact O-CB 3.38Å; N553-H557 PolarHBondContact O-N 3.11Å; L554-H557 CarbonylContact O-C 3.52Å; L554-H557 WeakPolarHBondContact O-CA 3.47Å; L554-H557 WeakPolarHBondContact O-CB 3.48Å; L554-H557 PolarHBondContact O-N 3.34Å; H557-T559 PolarHBondContact O-N 3.07Å; H557-T559 VanDerWaalsContact O-N 3.1Å; H557-S560 PolarHBondContact ND1-OG 2.83Å; H557-S560 VanDerWaalsContact ND1-OG 3.16Å; H557-S560 VanDerWaalsContact O-CB 3.29Å; H557-S560 WeakPolarHBondContact O-CB 3.34Å; H557-S560 PolarHBondContact O-N 3.08Å; H557-S560 PolarHBondContact O-OG 2.77Å; H557-H563 AromaticContact NE2-ND1 3.82Å; H557-H563 WeakPolarHBondContact O-CB 3.45Å
558	M	87.4	Confident	86.8	Confident	74 Å²	74	78.6 Å²	78.6	37%	0.365	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-24.4	169.9	-57.9	-64.2	86.4	0	0	112.8	C541 L554 I556 H563	C541-M558 HydrophobicContact CB-CE 3.82Å; C541-M558 VanDerWaalsContact SG-CE 3.55Å; L554-M558 HydrophobicContact CD1-CE 3.71Å; L554-M558 HydrophobicContact CG-CE 4.16Å; L554-M558 WeakPolarHBondContact O-CG 3.46Å; L554-M558 PolarHBondContact O-N 3.16Å; I556-M558 VanDerWaalsContact C-N 3.34Å; I556-M558 PolarHBondContact O-N 3.06Å; M558-H563 PolarHBondContact O-CD2 3Å
559	T	87.7	Confident	86.7	Confident	79 Å²	79	82.6 Å²	82.6	49%	0.485	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	6.6	176.3	68.3	0	0	0	0	113.5	N390 I556 H557	N390-T559 PolarHBondContact ND2-O 3.42Å; I556-T559 CarbonylContact O-C 3.49Å; I556-T559 WeakPolarHBondContact O-CA 3.41Å; I556-T559 PolarHBondContact O-N 2.89Å; I556-T559 PolarHBondContact O-OG1 2.72Å; H557-T559 PolarHBondContact O-N 3.07Å; H557-T559 VanDerWaalsContact O-N 3.1Å
560	S	86.4	Confident	86.5	Confident	35 Å²	35	81.4 Å²	81.4	25%	0.245	41%	0.406	C	S	.	.	S	Bend	trans	-80.1	142.6	178	70.9	0	0	0	0	111.5	I556 H557 K562 H563 S564	I556-S560 PolarHBondContact O-N 2.74Å; H557-S560 PolarHBondContact ND1-OG 2.83Å; H557-S560 VanDerWaalsContact ND1-OG 3.16Å; H557-S560 VanDerWaalsContact O-CB 3.29Å; H557-S560 WeakPolarHBondContact O-CB 3.34Å; H557-S560 PolarHBondContact O-N 3.08Å; H557-S560 PolarHBondContact O-OG 2.77Å; S560-K562 VanDerWaalsContact C-N 3.26Å; S560-K562 PolarHBondContact O-N 2.77Å; S560-H563 WeakPolarHBondContact O-CA 3.35Å; S560-H563 WeakPolarHBondContact O-CB 3.33Å; S560-H563 PolarHBondContact O-N 2.8Å; S560-H563 WeakPolarHBondContact OG-CB 3.46Å; S560-H563 PolarHBondContact OG-N 3.13Å; S560-S564 PolarHBondContact O-N 3.17Å; S560-S564 VanDerWaalsContact O-N 3.12Å
561	E	84.7	Confident	86.3	Confident	112 Å²	112	81.2 Å²	81.2	52%	0.523	41%	0.412	S	S	.	.	H	α-helix	trans	-57.4	-39.6	-177.4	-176.2	168.3	-137.1	0	0	112.6	H563 S564 Q565	E561-H563 VanDerWaalsContact C-N 3.29Å; E561-H563 PolarHBondContact O-N 3.01Å; E561-S564 WeakPolarHBondContact CA-OG 3.03Å; E561-S564 PolarHBondContact O-N 3.11Å; E561-S564 PolarHBondContact O-OG 3.03Å; E561-Q565 HydrophobicContact CG-CG 4.5Å; E561-Q565 WeakPolarHBondContact O-CB 3.39Å; E561-Q565 WeakPolarHBondContact O-CG 3.28Å; E561-Q565 PolarHBondContact O-N 2.99Å
562	K	83.5	Confident	86	Confident	157 Å²	157	84.7 Å²	84.7	68%	0.683	42%	0.421	S	S	*	.	H	α-helix	trans	-60.1	-35.6	173.1	-66.4	-168.3	174.2	-166.8	0	113.1	S560 N566	S560-K562 VanDerWaalsContact C-N 3.26Å; S560-K562 PolarHBondContact O-N 2.77Å; K562-N566 WeakPolarHBondContact O-CB 3.4Å; K562-N566 PolarHBondContact O-N 3.1Å; K562-N566 PolarHBondContact O-OD1 2.92Å
563	H	88.3	Confident	85.6	Confident	22 Å²	22	80.7 Å²	80.7	10%	0.102	41%	0.41	C	S	.	.	H	α-helix	trans	-69.7	-43	175.1	-179.7	79.6	0	0	0	111.5	C541 H557 M558 S560 E561 Q565 S567	C541-H563 VanDerWaalsContact SG-CE1 3.52Å; C541-H563 PolarHBondContact SG-ND1 2.92Å; H557-H563 AromaticContact NE2-ND1 3.82Å; H557-H563 WeakPolarHBondContact O-CB 3.45Å; M558-H563 PolarHBondContact O-CD2 3Å; S560-H563 WeakPolarHBondContact O-CA 3.35Å; S560-H563 WeakPolarHBondContact O-CB 3.33Å; S560-H563 PolarHBondContact O-N 2.8Å; S560-H563 WeakPolarHBondContact OG-CB 3.46Å; S560-H563 PolarHBondContact OG-N 3.13Å; E561-H563 VanDerWaalsContact C-N 3.29Å; E561-H563 PolarHBondContact O-N 3.01Å; H563-Q565 PolarHBondContact O-N 3.27Å; H563-S567 WeakPolarHBondContact O-CB 3.37Å; H563-S567 PolarHBondContact O-N 3.23Å
564	S	87.5	Confident	85.1	Confident	58 Å²	58	83.6 Å²	83.6	41%	0.406	43%	0.426	S	S	.	.	H	α-helix	trans	-62.9	-39.7	173.1	41.5	0	0	0	0	112.7	S560 E561 S567 V568	S560-S564 PolarHBondContact O-N 3.17Å; S560-S564 VanDerWaalsContact O-N 3.12Å; E561-S564 WeakPolarHBondContact CA-OG 3.03Å; E561-S564 PolarHBondContact O-N 3.11Å; E561-S564 PolarHBondContact O-OG 3.03Å; S564-S567 PolarHBondContact O-N 3.36Å; S564-V568 WeakPolarHBondContact O-CB 3.45Å; S564-V568 WeakPolarHBondContact O-CG2 3.4Å; S564-V568 PolarHBondContact O-N 2.88Å
565	Q	85.4	Confident	84.3	Confident	108 Å²	108	84.6 Å²	84.6	51%	0.505	44%	0.438	S	S	.	.	H	α-helix	trans	-63.4	-51.4	176.2	-73.6	168.1	-11.9	0	0	111.5	E561 H563 S567 V568 H569	E561-Q565 HydrophobicContact CG-CG 4.5Å; E561-Q565 WeakPolarHBondContact O-CB 3.39Å; E561-Q565 WeakPolarHBondContact O-CG 3.28Å; E561-Q565 PolarHBondContact O-N 2.99Å; H563-Q565 PolarHBondContact O-N 3.27Å; Q565-S567 VanDerWaalsContact C-N 3.29Å; Q565-S567 PolarHBondContact O-N 3.04Å; Q565-V568 PolarHBondContact O-N 3.02Å; Q565-H569 VanDerWaalsContact O-CB 3.29Å; Q565-H569 WeakPolarHBondContact O-CB 3.46Å; Q565-H569 PolarHBondContact O-N 3.14Å
566	N	86.7	Confident	83.1	Confident	69 Å²	69	78 Å²	78	37%	0.369	43%	0.425	S	S	.	.	H	α-helix	trans	-61.1	-36.8	175.8	-77.2	31.1	0	0	0	112.5	I543 K562 H569 L570	I543-N566 HydrophobicContact CG2-CB 3.48Å; I543-N566 VanDerWaalsContact CG2-CB 3.48Å; I543-N566 PolarHBondContact O-ND2 3.17Å; K562-N566 WeakPolarHBondContact O-CB 3.4Å; K562-N566 PolarHBondContact O-N 3.1Å; K562-N566 PolarHBondContact O-OD1 2.92Å; N566-H569 PolarHBondContact O-N 3.42Å; N566-L570 VanDerWaalsContact O-CB 3.3Å; N566-L570 WeakPolarHBondContact O-CB 3.4Å; N566-L570 PolarHBondContact O-N 3.37Å
567	S	86.5	Confident	81.9	Confident	47 Å²	47	76.3 Å²	76.3	33%	0.329	42%	0.422	S	S	.	.	H	α-helix	trans	-67.8	-44.9	179.2	-175.1	0	0	0	0	111.8	H563 S564 Q565 L570 S571	H563-S567 WeakPolarHBondContact O-CB 3.37Å; H563-S567 PolarHBondContact O-N 3.23Å; S564-S567 PolarHBondContact O-N 3.36Å; Q565-S567 VanDerWaalsContact C-N 3.29Å; Q565-S567 PolarHBondContact O-N 3.04Å; S567-L570 PolarHBondContact O-N 3.22Å; S567-S571 WeakPolarHBondContact O-CB 3.4Å; S567-S571 PolarHBondContact O-N 3.45Å
568	V	85.5	Confident	80.2	Confident	73 Å²	73	81.9 Å²	81.9	44%	0.442	45%	0.446	S	S	.	.	H	α-helix	trans	-63	-44.7	172.7	170.6	0	0	0	0	110.9	S564 Q565 L570 S571 Q572	S564-V568 WeakPolarHBondContact O-CB 3.45Å; S564-V568 WeakPolarHBondContact O-CG2 3.4Å; S564-V568 PolarHBondContact O-N 2.88Å; Q565-V568 PolarHBondContact O-N 3.02Å; V568-L570 PolarHBondContact O-N 3.37Å; V568-S571 CarbonylContact O-C 3.45Å; V568-S571 WeakPolarHBondContact O-CB 3.49Å; V568-S571 PolarHBondContact O-N 2.9Å; V568-Q572 HydrophobicContact CG1-CG 4.35Å; V568-Q572 WeakPolarHBondContact O-CB 3.48Å; V568-Q572 WeakPolarHBondContact O-CG 3.45Å; V568-Q572 PolarHBondContact O-N 3.17Å
569	H	84.3	Confident	78.6	Confident	101 Å²	101	85.2 Å²	85.2	47%	0.468	46%	0.46	S	S	.	.	H	α-helix	trans	-61.8	-43.8	178.1	179.4	-103.9	0	0	0	112.3	Q565 N566 Q572 Q573	Q565-H569 VanDerWaalsContact O-CB 3.29Å; Q565-H569 WeakPolarHBondContact O-CB 3.46Å; Q565-H569 PolarHBondContact O-N 3.14Å; N566-H569 PolarHBondContact O-N 3.42Å; H569-Q572 PolarHBondContact O-N 3.04Å; H569-Q573 PolarHBondContact CE1-NE2 3.26Å; H569-Q573 WeakPolarHBondContact O-CG 3.36Å; H569-Q573 PolarHBondContact O-N 3.12Å
570	L	82.8	Confident	77	Confident	69 Å²	69	88.1 Å²	88.1	36%	0.361	47%	0.469	S	S	.	.	H	α-helix	trans	-65.3	-38.3	174.8	-176.5	61.8	0	0	0	111.7	I543 N566 S567 V568 Q572 Q573 N574	I543-L570 HydrophobicContact CG1-CD2 4.16Å; N566-L570 VanDerWaalsContact O-CB 3.3Å; N566-L570 WeakPolarHBondContact O-CB 3.4Å; N566-L570 PolarHBondContact O-N 3.37Å; S567-L570 PolarHBondContact O-N 3.22Å; V568-L570 PolarHBondContact O-N 3.37Å; L570-Q572 VanDerWaalsContact C-N 3.34Å; L570-Q573 PolarHBondContact O-N 3.4Å; L570-N574 WeakPolarHBondContact O-CB 3.47Å; L570-N574 PolarHBondContact O-N 3.26Å; L570-N574 PolarHBondContact O-ND2 3Å
571	S	80.9	Confident	75.3	Confident	79 Å²	79	90.1 Å²	90.1	55%	0.552	48%	0.482	S	S	*	.	H	α-helix	trans	-64.4	-37.8	172.9	-166.9	0	0	0	0	112.3	S567 V568 A575	S567-S571 WeakPolarHBondContact O-CB 3.4Å; S567-S571 PolarHBondContact O-N 3.45Å; V568-S571 CarbonylContact O-C 3.45Å; V568-S571 WeakPolarHBondContact O-CB 3.49Å; V568-S571 PolarHBondContact O-N 2.9Å; S571-A575 WeakPolarHBondContact O-CB 3.46Å; S571-A575 PolarHBondContact O-N 3.24Å
572	Q	79	Confident	73.7	Confident	121 Å²	121	88 Å²	88	57%	0.565	47%	0.474	S	S	*	.	H	α-helix	trans	-71.3	-39.6	176.7	-76.7	174.2	-28.9	0	0	111.9	V568 H569 L570 A575 A576	V568-Q572 HydrophobicContact CG1-CG 4.35Å; V568-Q572 WeakPolarHBondContact O-CB 3.48Å; V568-Q572 WeakPolarHBondContact O-CG 3.45Å; V568-Q572 PolarHBondContact O-N 3.17Å; H569-Q572 PolarHBondContact O-N 3.04Å; L570-Q572 VanDerWaalsContact C-N 3.34Å; Q572-A575 PolarHBondContact O-N 3.06Å; Q572-A576 VanDerWaalsContact O-CB 3.32Å; Q572-A576 WeakPolarHBondContact O-CB 3.46Å; Q572-A576 PolarHBondContact O-N 3.34Å
573	Q	77.4	Confident	71.9	Confident	106 Å²	106	82 Å²	82	50%	0.495	46%	0.456	S	S	.	.	H	α-helix	trans	-64.3	-40.2	172.8	-74.3	-169.8	-22.3	0	0	112	H569 L570 S577	H569-Q573 PolarHBondContact CE1-NE2 3.26Å; H569-Q573 WeakPolarHBondContact O-CG 3.36Å; H569-Q573 PolarHBondContact O-N 3.12Å; L570-Q573 PolarHBondContact O-N 3.4Å; Q573-S577 VanDerWaalsContact O-CB 3.22Å; Q573-S577 WeakPolarHBondContact O-CB 3.09Å; Q573-S577 PolarHBondContact O-N 3.16Å
574	N	77.3	Confident	69.9	Low	102 Å²	102	86.7 Å²	86.7	55%	0.545	48%	0.482	S	S	.	.	H	α-helix	trans	-66.6	-38.3	174.4	-70.8	-21.5	0	0	0	112.1	L570 F578	L570-N574 WeakPolarHBondContact O-CB 3.47Å; L570-N574 PolarHBondContact O-N 3.26Å; L570-N574 PolarHBondContact O-ND2 3Å; N574-F578 WeakPolarHBondContact O-CB 3.13Å; N574-F578 PolarHBondContact O-N 2.76Å
575	A	72.9	Confident	68.1	Low	51 Å²	51	87 Å²	87	42%	0.421	48%	0.481	S	S	.	.	H	α-helix	trans	-65.6	-48.5	174.2	0	0	0	0	0	111.8	S571 Q572 S577 F578 E579	S571-A575 WeakPolarHBondContact O-CB 3.46Å; S571-A575 PolarHBondContact O-N 3.24Å; Q572-A575 PolarHBondContact O-N 3.06Å; A575-S577 VanDerWaalsContact C-N 3.31Å; A575-S577 PolarHBondContact O-N 2.97Å; A575-F578 WeakPolarHBondContact O-CB 3.31Å; A575-F578 PolarHBondContact O-N 3.32Å; A575-F578 VanDerWaalsContact O-N 3.1Å; A575-E579 PolarHBondContact O-N 3.34Å
576	A	63.5	Low	66.3	Low	54 Å²	54	87.7 Å²	87.7	45%	0.446	49%	0.486	S	S	.	.	H	α-helix	trans	-62.5	-36.8	177.3	0	0	0	0	0	112.4	Q572 E579 Q580	Q572-A576 VanDerWaalsContact O-CB 3.32Å; Q572-A576 WeakPolarHBondContact O-CB 3.46Å; Q572-A576 PolarHBondContact O-N 3.34Å; A576-E579 PolarHBondContact O-N 2.83Å; A576-Q580 VanDerWaalsContact O-CB 3.23Å; A576-Q580 WeakPolarHBondContact O-CB 3.48Å; A576-Q580 PolarHBondContact O-N 2.82Å
577	S	61.6	Low	64.3	Low	64 Å²	64	90 Å²	90	45%	0.448	50%	0.498	S	S	.	.	H	α-helix	trans	-67.5	-35.8	173.5	-174.1	0	0	0	0	112.3	Q573 A575 Q580 C581	Q573-S577 VanDerWaalsContact O-CB 3.22Å; Q573-S577 WeakPolarHBondContact O-CB 3.09Å; Q573-S577 PolarHBondContact O-N 3.16Å; A575-S577 VanDerWaalsContact C-N 3.31Å; A575-S577 PolarHBondContact O-N 2.97Å; S577-Q580 PolarHBondContact O-N 3.13Å; S577-C581 WeakPolarHBondContact O-CB 3.48Å; S577-C581 PolarHBondContact O-N 2.96Å
578	F	54.9	Low	62.6	Low	138 Å²	138	97.4 Å²	97.4	61%	0.605	52%	0.519	S	S	*	.	H	α-helix	trans	-68.5	-42.1	173.1	-171.8	-110	0	0	0	112	N574 A575 C581 N582	N574-F578 WeakPolarHBondContact O-CB 3.13Å; N574-F578 PolarHBondContact O-N 2.76Å; A575-F578 WeakPolarHBondContact O-CB 3.31Å; A575-F578 PolarHBondContact O-N 3.32Å; A575-F578 VanDerWaalsContact O-N 3.1Å; F578-C581 PolarHBondContact O-N 3.37Å; F578-N582 WeakPolarHBondContact CD1-ND2 3.32Å; F578-N582 WeakPolarHBondContact CE1-ND2 3.49Å; F578-N582 WeakPolarHBondContact CZ-ND2 3.48Å; F578-N582 WeakPolarHBondContact O-CB 3.06Å; F578-N582 VanDerWaalsContact O-CG 3.26Å; F578-N582 PolarHBondContact O-N 2.77Å; F578-N582 PolarHBondContact O-ND2 2.86Å
579	E	53.3	Low	60.7	Low	144 Å²	144	99.4 Å²	99.4	67%	0.673	53%	0.525	S	S	*	.	H	α-helix	trans	-65.9	-37	173	-71	-174.8	154.5	0	0	112.2	A575 A576 N582 G583	A575-E579 PolarHBondContact O-N 3.34Å; A576-E579 PolarHBondContact O-N 2.83Å; E579-N582 PolarHBondContact O-N 3.34Å; E579-G583 PolarHBondContact O-N 3.47Å
580	Q	55.4	Low	59	Low	141 Å²	141	98.1 Å²	98.1	66%	0.659	53%	0.527	S	S	*	.	H	α-helix	trans	-67.8	-37.4	175.9	-167.9	169.4	34.8	0	0	112.2	A576 S577 L584	A576-Q580 VanDerWaalsContact O-CB 3.23Å; A576-Q580 WeakPolarHBondContact O-CB 3.48Å; A576-Q580 PolarHBondContact O-N 2.82Å; S577-Q580 PolarHBondContact O-N 3.13Å; Q580-L584 WeakPolarHBondContact O-CG 3.35Å; Q580-L584 PolarHBondContact O-N 3.37Å
581	C	49.7	Very low	57.3	Low	77 Å²	77	98.8 Å²	98.8	52%	0.52	54%	0.543	S	S	.	.	H	α-helix	trans	-67.7	-38.9	169.5	-78.1	0	0	0	0	112.5	S577 F578 T585	S577-C581 WeakPolarHBondContact O-CB 3.48Å; S577-C581 PolarHBondContact O-N 2.96Å; F578-C581 PolarHBondContact O-N 3.37Å; C581-T585 PolarHBondContact O-N 3.4Å; C581-T585 PolarHBondContact O-OG1 3.13Å
582	N	51.2	Low	55.7	Low	66 Å²	66	103.4 Å²	103.4	35%	0.353	55%	0.553	S	S	.	*	H	α-helix	trans	-73.8	-33.9	-179.9	-74	-16.7	0	0	0	113.2	F578 E579 T585 M586	F578-N582 WeakPolarHBondContact CD1-ND2 3.32Å; F578-N582 WeakPolarHBondContact CE1-ND2 3.49Å; F578-N582 WeakPolarHBondContact CZ-ND2 3.48Å; F578-N582 WeakPolarHBondContact O-CB 3.06Å; F578-N582 VanDerWaalsContact O-CG 3.26Å; F578-N582 PolarHBondContact O-N 2.77Å; F578-N582 PolarHBondContact O-ND2 2.86Å; E579-N582 PolarHBondContact O-N 3.34Å; N582-T585 WeakPolarHBondContact CA-OG1 3.3Å; N582-T585 PolarHBondContact O-N 2.95Å; N582-T585 PolarHBondContact O-OG1 3.01Å; N582-M586 WeakPolarHBondContact O-CB 3.31Å; N582-M586 WeakPolarHBondContact O-CG 3.33Å; N582-M586 PolarHBondContact O-N 2.67Å
583	G	46.4	Very low	54.2	Low	31 Å²	31	103.9 Å²	103.9	32%	0.32	56%	0.559	S	S	.	*	H	α-helix	trans	-60.5	-48.7	171.1	0	0	0	0	0	111	E579 T585 M586 D587	E579-G583 PolarHBondContact O-N 3.47Å; G583-T585 PolarHBondContact O-N 3.28Å; G583-T585 VanDerWaalsContact O-N 3.16Å; G583-M586 PolarHBondContact O-N 2.84Å; G583-M586 VanDerWaalsContact O-N 3.13Å; G583-D587 PolarHBondContact O-N 3.04Å
584	L	45.4	Very low	52.5	Low	122 Å²	122	107 Å²	107	64%	0.639	57%	0.571	S	S	*	*	H	α-helix	trans	-65.2	-15.7	177.1	-68.6	174.6	0	0	0	114.5	Q580	Q580-L584 WeakPolarHBondContact O-CG 3.35Å; Q580-L584 PolarHBondContact O-N 3.37Å
585	T	50.5	Low	50.9	Low	64 Å²	64	109.7 Å²	109.7	39%	0.393	59%	0.585	S	S	.	*	H	α-helix	trans	-92.5	-38	168.4	56.2	0	0	0	0	112.7	C581 N582 G583 R588 M589	C581-T585 PolarHBondContact O-N 3.4Å; C581-T585 PolarHBondContact O-OG1 3.13Å; N582-T585 WeakPolarHBondContact CA-OG1 3.3Å; N582-T585 PolarHBondContact O-N 2.95Å; N582-T585 PolarHBondContact O-OG1 3.01Å; G583-T585 PolarHBondContact O-N 3.28Å; G583-T585 VanDerWaalsContact O-N 3.16Å; T585-R588 PolarHBondContact O-N 2.8Å; T585-M589 WeakPolarHBondContact O-CG 3.19Å; T585-M589 PolarHBondContact O-N 3.03Å; T585-M589 VanDerWaalsContact O-N 3.08Å
586	M	46.8	Very low	49.1	Very low	123 Å²	123	118.8 Å²	118.8	61%	0.606	61%	0.609	S	S	*	*	H	α-helix	trans	-65.6	-47.3	177.6	-76.6	-64.2	-168.3	0	0	112.5	N582 G583 R588 M589 S590	N582-M586 WeakPolarHBondContact O-CB 3.31Å; N582-M586 WeakPolarHBondContact O-CG 3.33Å; N582-M586 PolarHBondContact O-N 2.67Å; G583-M586 PolarHBondContact O-N 2.84Å; G583-M586 VanDerWaalsContact O-N 3.13Å; M586-R588 PolarHBondContact O-N 2.89Å; M586-M589 PolarHBondContact O-N 2.87Å; M586-S590 WeakPolarHBondContact O-CB 3.45Å; M586-S590 PolarHBondContact O-N 3.39Å; M586-S590 PolarHBondContact O-OG 3.06Å
587	D	46.1	Very low	48	Very low	116 Å²	116	122 Å²	122	62%	0.62	62%	0.623	S	S	*	*	H	α-helix	trans	-58.5	-37.1	176	-75.9	-39.7	0	0	0	111.6	G583 M589 A591	G583-D587 PolarHBondContact O-N 3.04Å; D587-M589 VanDerWaalsContact C-N 3.33Å; D587-M589 PolarHBondContact O-N 3.16Å; D587-A591 VanDerWaalsContact O-CB 3.24Å; D587-A591 WeakPolarHBondContact O-CB 3.43Å; D587-A591 PolarHBondContact O-N 3.1Å
588	R	49.7	Very low	46.7	Very low	204 Å²	204	125.6 Å²	125.6	77%	0.77	64%	0.637	S	S	*	*	H	α-helix	trans	-74.9	-16.5	177.8	-110.5	177.8	174.9	171.1	0.1	114.9	T585 M586	T585-R588 PolarHBondContact O-N 2.8Å; M586-R588 PolarHBondContact O-N 2.89Å
589	M	45.4	Very low	45.7	Very low	114 Å²	114	123.2 Å²	123.2	56%	0.562	64%	0.643	S	S	*	*	H	α-helix	trans	-93.4	-42.7	173.4	-70	179.1	-169.6	0	0	111	T585 M586 D587 A591 K592 L593	T585-M589 WeakPolarHBondContact O-CG 3.19Å; T585-M589 PolarHBondContact O-N 3.03Å; T585-M589 VanDerWaalsContact O-N 3.08Å; M586-M589 PolarHBondContact O-N 2.87Å; D587-M589 VanDerWaalsContact C-N 3.33Å; D587-M589 PolarHBondContact O-N 3.16Å; M589-A591 VanDerWaalsContact C-N 3.33Å; M589-A591 PolarHBondContact O-N 3.26Å; M589-K592 PolarHBondContact O-N 2.92Å; M589-L593 PolarHBondContact O-N 2.96Å; M589-L593 VanDerWaalsContact O-N 3.14Å
590	S	48.2	Very low	44.9	Very low	74 Å²	74	122 Å²	122	52%	0.517	65%	0.648	S	S	.	*	H	α-helix	trans	-56	-45.5	172.7	-62.7	0	0	0	0	111.8	M586 K592 L593	M586-S590 WeakPolarHBondContact O-CB 3.45Å; M586-S590 PolarHBondContact O-N 3.39Å; M586-S590 PolarHBondContact O-OG 3.06Å; S590-K592 PolarHBondContact O-N 3.49Å; S590-L593 PolarHBondContact O-N 2.91Å
591	A	47.8	Very low	43.9	Very low	84 Å²	84	121 Å²	121	69%	0.694	65%	0.654	S	S	*	*	H	α-helix	trans	-68.1	1.1	176.9	0	0	0	0	0	115.2	D587 M589	D587-A591 VanDerWaalsContact O-CB 3.24Å; D587-A591 WeakPolarHBondContact O-CB 3.43Å; D587-A591 PolarHBondContact O-N 3.1Å; M589-A591 VanDerWaalsContact C-N 3.33Å; M589-A591 PolarHBondContact O-N 3.26Å
592	K	47.6	Very low	43.2	Very low	175 Å²	175	122.2 Å²	122.2	76%	0.761	67%	0.669	S	S	*	*	H	α-helix	trans	-125.4	-5.6	175.6	-75	-162.8	170.2	-164.1	0	115	M589 S590	M589-K592 PolarHBondContact O-N 2.92Å; S590-K592 PolarHBondContact O-N 3.49Å
593	L	46.7	Very low	42	Very low	132 Å²	132	124.9 Å²	124.9	69%	0.691	69%	0.692	S	S	*	*	H	α-helix	trans	-95.9	-7.1	177.4	-78.9	165.2	0	0	0	113.6	M589 S590 D595	M589-L593 PolarHBondContact O-N 2.96Å; M589-L593 VanDerWaalsContact O-N 3.14Å; S590-L593 PolarHBondContact O-N 2.91Å; L593-D595 VanDerWaalsContact C-N 3.31Å; L593-D595 PolarHBondContact O-N 2.94Å
594	F	43.1	Very low	41.4	Very low	172 Å²	172	128 Å²	128	75%	0.754	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79	-9.3	-177.6	-132.1	-89.3	0	0	0	114.9
595	D	41.9	Very low	40.8	Very low	157 Å²	157	129.4 Å²	129.4	84%	0.84	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.9	-1.4	-165.3	-146.1	22.5	0	0	0	113.9	L593	L593-D595 VanDerWaalsContact C-N 3.31Å; L593-D595 PolarHBondContact O-N 2.94Å
596	W	35.2	Very low	40.1	Very low	243 Å²	243	134.7 Å²	134.7	92%	0.92	74%	0.741	S	S	*	*	S	Bend	trans	-128	4.8	-165.7	-133.5	-15.3	0	0	0	117
597	T	40.8	Very low	39.6	Very low	122 Å²	122	137.7 Å²	137.7	75%	0.748	75%	0.753	S	S	*	*			trans	-125.5	1.9	-177	49.8	0	0	0	0	115.3	A599	T597-A599 PolarHBondContact O-N 3.26Å
598	N	35.1	Very low	39.2	Very low	138 Å²	138	137.7 Å²	137.7	74%	0.738	76%	0.76	S	S	*	*			trans	-77	106.5	170.6	-74.9	-49.1	0	0	0	110.9
599	A	34	Very low	38.3	Very low	88 Å²	88	133.1 Å²	133.1	73%	0.727	76%	0.758	S	S	*	*			trans	-75.9	-170	163.8	0	0	0	0	0	110.3	T597	T597-A599 PolarHBondContact O-N 3.26Å
600	P	35.3	Very low	37.8	Very low	120 Å²	120	135.8 Å²	135.8	78%	0.779	77%	0.771	S	S	*	*			cis	-122.9	-173.4	-12.9	13.6	13.6	0	0	0	112.4
601	P	35.3	Very low	37.3	Very low	119 Å²	119	136.7 Å²	136.7	77%	0.773	78%	0.777	S	S	*	*			trans	-96.1	156.9	-172	37	-35.9	0	0	0	116.5
602	A	33.9	Very low	36.7	Very low	103 Å²	103	138.5 Å²	138.5	85%	0.851	78%	0.78	S	S	*	*			trans	70.3	149	150	0	0	0	0	0	121.3
603	C	27.6	Very low	36	Very low	122 Å²	122	138.6 Å²	138.6	82%	0.824	78%	0.783	S	S	*	*			trans	-61.4	170.7	-177	-51.2	0	0	0	0	114.6
604	S	33.9	Very low	35.4	Very low	96 Å²	96	137.4 Å²	137.4	67%	0.671	79%	0.786	S	S	*	*			cis	-159.7	155.7	26.2	-31.1	0	0	0	0	115.9
605	D	32.5	Very low	34.7	Very low	152 Å²	152	134.8 Å²	134.8	81%	0.813	78%	0.784	S	S	*	*			trans	68.8	158.2	140.3	-55.2	-28.4	0	0	0	124.4
606	I	36	Very low	34.4	Very low	175 Å²	175	132.8 Å²	132.8	90%	0.897	78%	0.777	S	S	*	*			trans	92.5	142.2	168.8	-55.3	176.5	0	0	0	116.2
607	Q	36.6	Very low	34	Very low	185 Å²	185	127.1 Å²	127.1	86%	0.864	77%	0.765	S	S	*	*			trans	-107	164.9	-149.4	-98.2	-176.8	-115.9	0	0	116.7
608	P	36.1	Very low	33.5	Very low	116 Å²	116	127.9 Å²	127.9	75%	0.753	76%	0.76	S	S	*	*			trans	-102.7	177.9	-175.9	41.8	-37.1	0	0	0	114.7
609	C	31.5	Very low	33.4	Very low	109 Å²	109	129 Å²	129	74%	0.736	76%	0.759	S	S	*	*			trans	-160.3	118.4	166.6	-167.3	0	0	0	0	113.7
610	M	35.7	Very low	33.3	Very low	169 Å²	169	132.6 Å²	132.6	83%	0.833	76%	0.76	S	S	*	*			trans	51.9	158.4	149.7	-60.9	177.6	78.3	0	0	120.1
611	S	37.8	Very low	33.2	Very low	93 Å²	93	134.9 Å²	134.9	65%	0.65	77%	0.766	S	S	*	*			cis	-167.7	176.3	-24.3	-81	0	0	0	0	105.2
612	T	35	Very low	33	Very low	123 Å²	123	132 Å²	132	76%	0.755	76%	0.758	S	S	*	*			cis	-128.3	-172	14.4	53.7	0	0	0	0	109.2
613	E	31.8	Very low	33	Very low	176 Å²	176	133.4 Å²	133.4	82%	0.822	75%	0.751	S	S	*	*			cis	74.8	137.2	20.8	-65.2	173.1	-175.2	0	0	114.6
614	S	34.1	Very low	33.3	Very low	108 Å²	108	135.1 Å²	135.1	76%	0.755	75%	0.747	S	S	*	*			cis	-158.4	-171.3	5	53.8	0	0	0	0	113.8
615	T	29	Very low	33.2	Very low	117 Å²	117	138 Å²	138	72%	0.718	75%	0.752	S	S	*	*			trans	-50.4	174.5	171	45.7	0	0	0	0	115.6
616	V	35	Very low	33.3	Very low	114 Å²	114	137.8 Å²	137.8	69%	0.691	76%	0.756	S	S	*	*			cis	-167.6	166.6	46.7	-129	0	0	0	0	113.2
617	N	27.4	Very low	32.9	Very low	124 Å²	124	133.7 Å²	133.7	66%	0.663	74%	0.739	S	S	*	*			trans	32.4	160.5	134.7	-68	21.8	0	0	0	122.4
618	E	30.6	Very low	32.9	Very low	138 Å²	138	133.9 Å²	133.9	65%	0.645	74%	0.74	S	S	*	*			cis	-171.2	167.5	-2.7	-111.8	169.8	138.5	0	0	110.1
619	F	33	Very low	32.8	Very low	161 Å²	161	136.3 Å²	136.3	71%	0.706	74%	0.739	S	S	*	*			trans	56.9	123.8	152.8	-82	-116.1	0	0	0	119.9
620	E	31.9	Very low	33.2	Very low	164 Å²	164	138.4 Å²	138.4	77%	0.766	75%	0.748	S	S	*	*				96.6	120.8	75.1	-80.9	-158.8	156.3	0	0	115.7
621	D	32.4	Very low	33.2	Very low	169 Å²	169	138.9 Å²	138.9	90%	0.904	75%	0.748	S	S	*	*			trans	59.9	160.3	146.4	-146.6	8.3	0	0	0	122.7
622	G	32.1	Very low	32.9	Very low	58 Å²	58	142 Å²	142	60%	0.598	75%	0.75	S	S	*	*			trans	115.2	97.7	155.1	0	0	0	0	0	120.7
623	N	33.6	Very low	33	Very low	133 Å²	133	141.9 Å²	141.9	71%	0.711	75%	0.751	S	S	*	*			trans	51.2	125.1	138.7	-73.1	42.6	0	0	0	125.7
624	E	34	Very low	32.9	Very low	158 Å²	158	140.4 Å²	140.4	74%	0.738	74%	0.744	S	S	*	*				65.7	115.8	121.6	-62.5	-175	118.1	0	0	124.7
625	M	31.9	Very low	33	Very low	156 Å²	156	140.7 Å²	140.7	77%	0.768	75%	0.747	S	S	*	*				59.2	108.6	117.6	-168.4	178.1	172.6	0	0	121.4	T627	M625-T627 HydrophobicContact CE-CG2 4.32Å
626	V	34.3	Very low	33.5	Very low	147 Å²	147	143.8 Å²	143.8	89%	0.891	76%	0.758	S	S	*	*			trans	-138	147.6	147.4	-179.5	0	0	0	0	109.6
627	T	27.3	Very low	33.2	Very low	89 Å²	89	143.6 Å²	143.6	55%	0.546	77%	0.768	S	S	.	*			trans	-118.4	150.4	-173.3	49.5	0	0	0	0	113.8	M625	M625-T627 HydrophobicContact CE-CG2 4.32Å
628	Q	37	Very low	33.3	Very low	189 Å²	189	141.9 Å²	141.9	88%	0.883	77%	0.771	S	S	*	*			trans	-159.5	108.7	160.6	-104.3	162.1	18.8	0	0	107.7
629	F	33	Very low	33.5	Very low	168 Å²	168	144.1 Å²	144.1	74%	0.737	78%	0.779	S	S	*	*				70.8	91.8	68.3	-81.5	-77.9	0	0	0	115.7
630	V	39.5	Very low	33.7	Very low	152 Å²	152	145.7 Å²	145.7	92%	0.921	79%	0.786	S	S	*	*			trans	-141.4	145.4	149.3	-178.5	0	0	0	0	107
631	E	37.2	Very low	33.7	Very low	179 Å²	179	147.1 Å²	147.1	84%	0.836	79%	0.792	S	S	*	*			trans	-106.1	174.3	-160.2	-62.9	-177	121	0	0	116.3
632	K	31.2	Very low	34.3	Very low	158 Å²	158	147.6 Å²	147.6	69%	0.687	79%	0.794	S	S	*	*			trans	-88.4	163.8	-172.6	-132	171.5	169	-168.5	0	111.9	E634	K632-E634 HydrophobicContact CD-CG 3.58Å; K632-E634 VanDerWaalsContact CE-CG 3.42Å; K632-E634 WeakPolarHBondContact CE-OE1 3.36Å; K632-E634 HydrophobicContact CG-CG 3.96Å; K632-E634 IonicContact NZ-OE1 2.67Å; K632-E634 PolarHBondContact NZ-OE1 2.91Å
633	P	36.3	Very low	34.4	Very low	121 Å²	121	152.8 Å²	152.8	79%	0.786	81%	0.808	S	S	*	*				-139.3	150.5	77.7	33.5	-15.8	0	0	0	113.5
634	E	31.2	Very low	34.4	Very low	145 Å²	145	149.4 Å²	149.4	68%	0.678	81%	0.805	S	S	*	*				69.8	69.1	58.4	-62.1	-163.3	166.8	0	0	116.6	K632	K632-E634 HydrophobicContact CD-CG 3.58Å; K632-E634 VanDerWaalsContact CE-CG 3.42Å; K632-E634 WeakPolarHBondContact CE-OE1 3.36Å; K632-E634 HydrophobicContact CG-CG 3.96Å; K632-E634 IonicContact NZ-OE1 2.67Å; K632-E634 PolarHBondContact NZ-OE1 2.91Å
635	S	35.3	Very low	35	Very low	115 Å²	115	145.3 Å²	145.3	80%	0.804	80%	0.798	S	S	*	*			trans	-165.2	155.3	131.4	46.9	0	0	0	0	110.4
636	L	38.6	Very low	36	Very low	182 Å²	182	146.5 Å²	146.5	95%	0.953	80%	0.804	S	S	*	*			trans	86	51.3	-172.3	-58.8	167.4	0	0	0	117.2
637	A	28.9	Very low	37.6	Very low	109 Å²	109	145.8 Å²	145.8	90%	0.901	79%	0.785	S	S	*	*			trans	-114.4	89.1	157.8	0	0	0	0	0	109.5
638	A	30.8	Very low	39.8	Very low	88 Å²	88	146 Å²	146	73%	0.727	79%	0.788	S	S	*	*			trans	-160.4	140.1	171.1	0	0	0	0	0	110
639	F	33.2	Very low	41.8	Very low	186 Å²	186	140.5 Å²	140.5	82%	0.816	76%	0.761	S	S	*	*	S	Bend	trans	71	141.4	-173.2	-80.1	-103	0	0	0	116.8
640	F	37.7	Very low	44.1	Very low	193 Å²	193	137.6 Å²	137.6	85%	0.846	75%	0.75	S	S	*	*			trans	70.4	46.8	177.2	-48.2	-63.1	0	0	0	117.4	L642	F640-L642 PolarHBondContact O-N 3.43Å
641	E	33.1	Very low	46.1	Very low	194 Å²	194	130.4 Å²	130.4	91%	0.907	71%	0.707	S	S	*	*			trans	-71.2	107.6	140.3	-69.5	180	147.4	0	0	108.7
642	L	43.1	Very low	48	Very low	179 Å²	179	126.4 Å²	126.4	94%	0.937	70%	0.697	S	S	*	*			trans	-143.8	133.3	154.7	-144.9	85.1	0	0	0	108.1	F640	F640-L642 PolarHBondContact O-N 3.43Å
643	D	34.6	Very low	49.9	Very low	167 Å²	167	121.4 Å²	121.4	89%	0.893	68%	0.678	S	S	*	*			trans	-101.7	157.8	-155.5	-158.5	-2.1	0	0	0	113.6
644	G	34.2	Very low	51.8	Low	63 Å²	63	116.4 Å²	116.4	65%	0.649	65%	0.645	S	S	*	*	S	Bend	trans	88	100.8	159.1	0	0	0	0	0	119.4
645	A	45.9	Very low	53.9	Low	72 Å²	72	114.3 Å²	114.3	60%	0.595	64%	0.638	S	S	*	*			trans	57.9	99.5	151.9	0	0	0	0	0	119.7	R647	A645-R647 PolarHBondContact O-N 3.26Å
646	M	52.8	Low	55.7	Low	180 Å²	180	115.2 Å²	115.2	89%	0.887	63%	0.634	S	S	*	*			trans	-71.5	115.3	163.7	-77.5	-82.5	-76.3	0	0	111.3	P648	M646-P648 VanDerWaalsContact O-CD 3.31Å; M646-P648 WeakPolarHBondContact O-CD 3.48Å
647	R	67.8	Low	57.6	Low	133 Å²	133	109.5 Å²	109.5	50%	0.502	60%	0.601	S	S	.	*			trans	-109.2	92.9	178.7	-62.6	-161.8	156.9	-177.4	-0.7	112.3	A645 F649 T658 C659 E660	A645-R647 PolarHBondContact O-N 3.26Å; R647-F649 VanDerWaalsContact C-N 3.33Å; R647-F649 PolarHBondContact O-N 2.91Å; R647-T658 PolarHBondContact NH1-O 3.02Å; R647-T658 VanDerWaalsContact NH1-O 3.11Å; R647-C659 CarbonylContact C-O 3.59Å; R647-E660 HydrophobicContact CG-CG 3.84Å; R647-E660 IonicContact CZ-OE1 3.96Å; R647-E660 IonicContact NE-OE1 3.39Å; R647-E660 PolarHBondContact NE-OE1 2.79Å; R647-E660 IonicContact NH2-OE1 3.73Å; R647-E660 PolarHBondContact NH2-OE1 3.35Å; R647-E660 VanDerWaalsContact NH2-OE1 3.1Å
648	P	75.2	Confident	60.2	Low	93 Å²	93	106.9 Å²	106.9	60%	0.604	58%	0.575	S	S	*	*			trans	-75	-13.2	-171.1	29	-35.9	0	0	0	115.2	M646	M646-P648 VanDerWaalsContact O-CD 3.31Å; M646-P648 WeakPolarHBondContact O-CD 3.48Å
649	F	77.4	Confident	62.8	Low	74 Å²	74	102.9 Å²	102.9	33%	0.325	54%	0.541	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	115.3	-175.1	-56	-65.8	0	0	0	112.1	R647 T658 C659 V662 I665	R647-F649 VanDerWaalsContact C-N 3.33Å; R647-F649 PolarHBondContact O-N 2.91Å; F649-T658 CarbonylContact O-C 3.57Å; F649-T658 WeakPolarHBondContact O-CA 3.41Å; F649-C659 PolarHBondContact N-O 3.15Å; F649-C659 PolarHBondContact O-N 3.1Å; F649-V662 HydrophobicContact CE1-CG2 3.89Å; F649-V662 HydrophobicContact CE2-CG2 3.8Å; F649-V662 HydrophobicContact CZ-CG2 3.45Å; F649-V662 VanDerWaalsContact CZ-CG2 3.45Å; F649-I665 HydrophobicContact CB-CD1 4.32Å; F649-I665 HydrophobicContact CB-CG2 4.3Å
650	Q	82.2	Confident	65	Low	106 Å²	106	98.7 Å²	98.7	50%	0.495	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	138.9	173.8	-173	-178.4	22.2	0	0	110.7	C652 L655 F657 T658 I665	Q650-C652 PolarHBondContact O-N 2.94Å; Q650-L655 PolarHBondContact NE2-O 3.43Å; Q650-F657 CarbonylContact C-O 3.58Å; Q650-F657 WeakPolarHBondContact CA-O 3.44Å; Q650-T658 HydrophobicContact CB-CG2 4.21Å; Q650-T658 HydrophobicContact CG-CG2 4.07Å; Q650-I665 WeakPolarHBondContact O-CD1 3.21Å
651	C	81.2	Confident	67.1	Low	2 Å²	2	91.1 Å²	91.1	1%	0.014	50%	0.495	C	S	.	.			trans	-78.2	112.6	176.4	-174.1	0	0	0	0	112.1	I653 L655 F657 I665 H721	C651-I653 PolarHBondContact O-N 2.94Å; C651-L655 VanDerWaalsContact O-CA 3.25Å; C651-L655 WeakPolarHBondContact O-CA 3.34Å; C651-L655 PolarHBondContact O-N 3.13Å; C651-F657 HydrophobicContact CB-CB 4.07Å; C651-F657 HydrophobicContact CB-CD1 4.34Å; C651-F657 PolarHBondContact N-O 3.19Å; C651-I665 HydrophobicContact CB-CD1 4.37Å; C651-H721 PolarHBondContact SG-CE1 2.9Å
652	C	76.7	Confident	69.5	Low	94 Å²	94	86.2 Å²	86.2	64%	0.635	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	2	-179.6	-51.8	0	0	0	0	115.8	Q650	Q650-C652 PolarHBondContact O-N 2.94Å
653	I	71.7	Confident	71.4	Confident	54 Å²	54	83.6 Å²	83.6	28%	0.277	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.5	-45.2	-178.8	-53.3	170.5	0	0	0	111.6	C651 L718 H721	C651-I653 PolarHBondContact O-N 2.94Å; I653-L718 HydrophobicContact CG2-CD1 4.14Å; I653-H721 HydrophobicContact CG2-CB 3.85Å; I653-H721 VanDerWaalsContact CG2-CG 3.44Å
654	C	76.6	Confident	73.6	Confident	15 Å²	15	79.6 Å²	79.6	10%	0.101	44%	0.437	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-26.6	172.3	60.9	0	0	0	0	113.7	D656 H721	C654-D656 PolarHBondContact O-N 3.15Å; C654-H721 VanDerWaalsContact CB-O 3.32Å; C654-H721 WeakPolarHBondContact CB-O 3.4Å
655	L	74.5	Confident	75.9	Confident	102 Å²	102	78.2 Å²	78.2	53%	0.534	41%	0.414	S	S	.	.	S	Bend	trans	64	-26.1	-167.6	-52.5	175.3	0	0	0	115.3	Q650 C651 F657	Q650-L655 PolarHBondContact NE2-O 3.43Å; C651-L655 VanDerWaalsContact O-CA 3.25Å; C651-L655 WeakPolarHBondContact O-CA 3.34Å; C651-L655 PolarHBondContact O-N 3.13Å; L655-F657 PolarHBondContact O-N 2.98Å
656	D	73.4	Confident	77.5	Confident	134 Å²	134	77.1 Å²	77.1	72%	0.717	41%	0.405	S	S	*	.			trans	-72.5	-20.9	-178.6	-63.5	-44.3	0	0	0	114.7	C654	C654-D656 PolarHBondContact O-N 3.15Å
657	F	78.6	Confident	78.9	Confident	61 Å²	61	75.2 Å²	75.2	27%	0.268	39%	0.392	S	S	.	.			trans	-92.8	121.6	-177.8	-174.1	-99.1	0	0	0	112.8	Q650 C651 L655 C659 H668	Q650-F657 CarbonylContact C-O 3.58Å; Q650-F657 WeakPolarHBondContact CA-O 3.44Å; C651-F657 HydrophobicContact CB-CB 4.07Å; C651-F657 HydrophobicContact CB-CD1 4.34Å; C651-F657 PolarHBondContact N-O 3.19Å; L655-F657 PolarHBondContact O-N 2.98Å; F657-C659 HydrophobicContact CD1-CB 4.49Å; F657-C659 HydrophobicContact CE1-CB 3.66Å; F657-C659 HydrophobicContact CZ-CB 3.89Å; F657-H668 WeakPolarHBondContact CB-CE1 3.24Å; F657-H668 HydrophobicContact CD1-CB 3.94Å; F657-H668 AromaticContact CD1-CE1 3.98Å; F657-H668 AromaticContact CD1-CG 3.6Å; F657-H668 AromaticContact CD1-ND1 3.5Å; F657-H668 WeakPolarHBondContact CD1-ND1 3.27Å; F657-H668 AromaticContact CD2-CE1 3.68Å; F657-H668 AromaticContact CD2-ND1 3.24Å; F657-H668 WeakPolarHBondContact CD2-ND1 3.46Å; F657-H668 HydrophobicContact CE1-CB 3.63Å; F657-H668 AromaticContact CE1-CG 3.81Å; F657-H668 AromaticContact CE1-ND1 3.85Å; F657-H668 HydrophobicContact CE2-CB 4.48Å; F657-H668 AromaticContact CE2-ND1 3.62Å; F657-H668 HydrophobicContact CG-CB 4.49Å; F657-H668 AromaticContact CG-CE1 3.38Å; F657-H668 WeakPolarHBondContact CG-CE1 3.27Å; F657-H668 AromaticContact CG-CG 3.77Å; F657-H668 AromaticContact CG-ND1 3.17Å; F657-H668 WeakPolarHBondContact CG-ND1 3.45Å; F657-H668 HydrophobicContact CZ-CB 3.93Å; F657-H668 AromaticContact CZ-ND1 3.91Å
658	T	82.9	Confident	79.6	Confident	55 Å²	55	70 Å²	70	34%	0.337	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	141.2	171.9	57.4	0	0	0	0	111	R647 F649 Q650	R647-T658 PolarHBondContact NH1-O 3.02Å; R647-T658 VanDerWaalsContact NH1-O 3.11Å; F649-T658 CarbonylContact O-C 3.57Å; F649-T658 WeakPolarHBondContact O-CA 3.41Å; Q650-T658 HydrophobicContact CB-CG2 4.21Å; Q650-T658 HydrophobicContact CG-CG2 4.07Å
659	C	85.3	Confident	79.7	Confident	3 Å²	3	69 Å²	69	2%	0.02	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	176	-173.8	65.3	0	0	0	0	113.1	R647 F649 F657 E664	R647-C659 CarbonylContact C-O 3.59Å; F649-C659 PolarHBondContact N-O 3.15Å; F649-C659 PolarHBondContact O-N 3.1Å; F657-C659 HydrophobicContact CD1-CB 4.49Å; F657-C659 HydrophobicContact CE1-CB 3.66Å; F657-C659 HydrophobicContact CZ-CB 3.89Å; C659-E664 HydrophobicContact CB-CB 3.78Å; C659-E664 WeakPolarHBondContact CB-OE2 3.42Å
660	E	81.1	Confident	79.5	Confident	99 Å²	99	70.9 Å²	70.9	46%	0.463	38%	0.383	S	S	.	.	S	Bend	trans	-110.7	-27.5	-166.7	-68.2	163.1	-135.8	0	0	111.9	R647 E664	R647-E660 HydrophobicContact CG-CG 3.84Å; R647-E660 IonicContact CZ-OE1 3.96Å; R647-E660 IonicContact NE-OE1 3.39Å; R647-E660 PolarHBondContact NE-OE1 2.79Å; R647-E660 IonicContact NH2-OE1 3.73Å; R647-E660 PolarHBondContact NH2-OE1 3.35Å; R647-E660 VanDerWaalsContact NH2-OE1 3.1Å; E660-E664 PolarHBondContact N-OE2 3.47Å
661	S	80.3	Confident	78.9	Confident	34 Å²	34	68.1 Å²	68.1	24%	0.238	38%	0.376	C	S	.	.	S	Bend	trans	-113.3	147.1	171.8	175.4	0	0	0	0	113.9	E663 E664 I665	S661-E663 PolarHBondContact O-N 3.14Å; S661-E663 WeakPolarHBondContact OG-CB 3.47Å; S661-E663 PolarHBondContact OG-N 3.17Å; S661-E663 PolarHBondContact OG-OE2 2.89Å; S661-E664 PolarHBondContact N-OE2 2.84Å; S661-E664 WeakPolarHBondContact O-CB 3.39Å; S661-E664 PolarHBondContact O-N 2.96Å; S661-I665 PolarHBondContact O-N 3.38Å
662	V	84.3	Confident	78	Confident	90 Å²	90	74 Å²	74	55%	0.545	41%	0.407	S	S	.	.	H	α-helix	trans	-54	-30.8	167.6	-179.1	0	0	0	0	111.5	F649 E664 I665 A666	F649-V662 HydrophobicContact CE1-CG2 3.89Å; F649-V662 HydrophobicContact CE2-CG2 3.8Å; F649-V662 HydrophobicContact CZ-CG2 3.45Å; F649-V662 VanDerWaalsContact CZ-CG2 3.45Å; V662-E664 VanDerWaalsContact C-N 3.3Å; V662-E664 PolarHBondContact O-N 3Å; V662-I665 WeakPolarHBondContact O-CG2 3.46Å; V662-A666 VanDerWaalsContact O-CB 3.25Å; V662-A666 WeakPolarHBondContact O-CB 3.35Å; V662-A666 PolarHBondContact O-N 2.86Å
663	E	83.1	Confident	77.5	Confident	125 Å²	125	72 Å²	72	58%	0.584	39%	0.386	S	S	*	.	H	α-helix	trans	-71.4	-25.7	179.7	-58	147.8	143.6	0	0	112.3	S661 K667	S661-E663 PolarHBondContact O-N 3.14Å; S661-E663 WeakPolarHBondContact OG-CB 3.47Å; S661-E663 PolarHBondContact OG-N 3.17Å; S661-E663 PolarHBondContact OG-OE2 2.89Å; E663-K667 WeakPolarHBondContact O-CB 3.46Å; E663-K667 VanDerWaalsContact O-CD 3.22Å; E663-K667 WeakPolarHBondContact O-CD 3.43Å; E663-K667 WeakPolarHBondContact O-CG 3.49Å; E663-K667 PolarHBondContact O-N 2.94Å
664	E	80.6	Confident	76.9	Confident	83 Å²	83	71.9 Å²	71.9	39%	0.388	39%	0.388	S	S	.	.	H	α-helix	trans	-78.9	-45.7	178.8	-62.7	179.9	127.2	0	0	110.9	C659 E660 S661 V662 A666 K667 H668	C659-E664 HydrophobicContact CB-CB 3.78Å; C659-E664 WeakPolarHBondContact CB-OE2 3.42Å; E660-E664 PolarHBondContact N-OE2 3.47Å; S661-E664 PolarHBondContact N-OE2 2.84Å; S661-E664 WeakPolarHBondContact O-CB 3.39Å; S661-E664 PolarHBondContact O-N 2.96Å; V662-E664 VanDerWaalsContact C-N 3.3Å; V662-E664 PolarHBondContact O-N 3Å; E664-A666 VanDerWaalsContact C-N 3.31Å; E664-A666 PolarHBondContact O-N 3.24Å; E664-K667 PolarHBondContact O-N 2.95Å; E664-H668 WeakPolarHBondContact O-CB 3.35Å; E664-H668 PolarHBondContact O-N 3Å
665	I	81.6	Confident	75.9	Confident	33 Å²	33	79.1 Å²	79.1	17%	0.169	42%	0.42	C	S	.	.	H	α-helix	trans	-65.5	-34	171.6	-171.6	163.8	0	0	0	111.9	F649 Q650 C651 S661 V662 H668 V669	F649-I665 HydrophobicContact CB-CD1 4.32Å; F649-I665 HydrophobicContact CB-CG2 4.3Å; Q650-I665 WeakPolarHBondContact O-CD1 3.21Å; C651-I665 HydrophobicContact CB-CD1 4.37Å; S661-I665 PolarHBondContact O-N 3.38Å; V662-I665 WeakPolarHBondContact O-CG2 3.46Å; I665-H668 PolarHBondContact O-N 3.42Å; I665-V669 HydrophobicContact CG1-CG2 4.27Å; I665-V669 WeakPolarHBondContact O-CB 3.43Å; I665-V669 WeakPolarHBondContact O-CG2 3.34Å; I665-V669 PolarHBondContact O-N 3.27Å
666	A	80.5	Confident	74.8	Confident	49 Å²	49	77.4 Å²	77.4	41%	0.405	42%	0.421	S	S	.	.	H	α-helix	trans	-61.4	-53.1	171.2	0	0	0	0	0	111.3	V662 E664 H668 V669 T670	V662-A666 VanDerWaalsContact O-CB 3.25Å; V662-A666 WeakPolarHBondContact O-CB 3.35Å; V662-A666 PolarHBondContact O-N 2.86Å; E664-A666 VanDerWaalsContact C-N 3.31Å; E664-A666 PolarHBondContact O-N 3.24Å; A666-H668 VanDerWaalsContact C-N 3.27Å; A666-H668 PolarHBondContact O-N 3.49Å; A666-V669 PolarHBondContact O-N 3.19Å; A666-T670 WeakPolarHBondContact O-CG2 3.32Å; A666-T670 PolarHBondContact O-N 3.29Å; A666-T670 PolarHBondContact O-OG1 3.48Å
667	K	82.1	Confident	73.9	Confident	140 Å²	140	75.8 Å²	75.8	61%	0.609	41%	0.412	S	S	*	.	H	α-helix	trans	-54.8	-43	175.3	-73.7	160.3	-166.8	160.3	0	111.6	E663 E664 T670 S671	E663-K667 WeakPolarHBondContact O-CB 3.46Å; E663-K667 VanDerWaalsContact O-CD 3.22Å; E663-K667 WeakPolarHBondContact O-CD 3.43Å; E663-K667 WeakPolarHBondContact O-CG 3.49Å; E663-K667 PolarHBondContact O-N 2.94Å; E664-K667 PolarHBondContact O-N 2.95Å; K667-T670 WeakPolarHBondContact CA-OG1 3.4Å; K667-T670 CarbonylContact O-C 3.22Å; K667-T670 PolarHBondContact O-N 3.41Å; K667-T670 PolarHBondContact O-OG1 3.01Å; K667-T670 VanDerWaalsContact O-OG1 3.12Å; K667-S671 PolarHBondContact O-N 3.37Å
668	H	81.4	Confident	72.7	Confident	23 Å²	23	79.9 Å²	79.9	11%	0.106	44%	0.437	C	S	.	.	H	α-helix	trans	-60.4	-52.1	176.7	-179.5	98.5	0	0	0	112.5	F657 E664 I665 A666 T670 S671 R673 H721	F657-H668 WeakPolarHBondContact CB-CE1 3.24Å; F657-H668 HydrophobicContact CD1-CB 3.94Å; F657-H668 AromaticContact CD1-CE1 3.98Å; F657-H668 AromaticContact CD1-CG 3.6Å; F657-H668 AromaticContact CD1-ND1 3.5Å; F657-H668 WeakPolarHBondContact CD1-ND1 3.27Å; F657-H668 AromaticContact CD2-CE1 3.68Å; F657-H668 AromaticContact CD2-ND1 3.24Å; F657-H668 WeakPolarHBondContact CD2-ND1 3.46Å; F657-H668 HydrophobicContact CE1-CB 3.63Å; F657-H668 AromaticContact CE1-CG 3.81Å; F657-H668 AromaticContact CE1-ND1 3.85Å; F657-H668 HydrophobicContact CE2-CB 4.48Å; F657-H668 AromaticContact CE2-ND1 3.62Å; F657-H668 HydrophobicContact CG-CB 4.49Å; F657-H668 AromaticContact CG-CE1 3.38Å; F657-H668 WeakPolarHBondContact CG-CE1 3.27Å; F657-H668 AromaticContact CG-CG 3.77Å; F657-H668 AromaticContact CG-ND1 3.17Å; F657-H668 WeakPolarHBondContact CG-ND1 3.45Å; F657-H668 HydrophobicContact CZ-CB 3.93Å; F657-H668 AromaticContact CZ-ND1 3.91Å; E664-H668 WeakPolarHBondContact O-CB 3.35Å; E664-H668 PolarHBondContact O-N 3Å; I665-H668 PolarHBondContact O-N 3.42Å; A666-H668 VanDerWaalsContact C-N 3.27Å; A666-H668 PolarHBondContact O-N 3.49Å; H668-T670 VanDerWaalsContact C-N 3.28Å; H668-T670 PolarHBondContact O-N 3.27Å; H668-S671 VanDerWaalsContact O-CB 3.23Å; H668-S671 WeakPolarHBondContact O-CB 3.32Å; H668-S671 PolarHBondContact O-N 3.15Å; H668-S671 VanDerWaalsContact O-N 3.07Å; H668-S671 PolarHBondContact O-OG 3.24Å; H668-R673 PolarHBondContact CE1-NH2 3.31Å; H668-R673 PolarHBondContact NE2-NH2 3.28Å; H668-H721 AromaticContact CD2-CE1 3.62Å; H668-H721 AromaticContact CD2-NE2 3.63Å; H668-H721 AromaticContact NE2-CE1 3.09Å; H668-H721 PolarHBondContact NE2-CE1 2.91Å; H668-H721 AromaticContact NE2-NE2 3.59Å
669	V	78.5	Confident	71.5	Confident	74 Å²	74	81.1 Å²	81.1	45%	0.448	45%	0.448	S	S	.	.	H	α-helix	trans	-66.6	-30.5	-179.3	171.9	0	0	0	0	111.7	I665 A666 S671	I665-V669 HydrophobicContact CG1-CG2 4.27Å; I665-V669 WeakPolarHBondContact O-CB 3.43Å; I665-V669 WeakPolarHBondContact O-CG2 3.34Å; I665-V669 PolarHBondContact O-N 3.27Å; A666-V669 PolarHBondContact O-N 3.19Å; V669-S671 VanDerWaalsContact C-N 3.34Å
670	T	73.5	Confident	70.4	Confident	112 Å²	112	82.2 Å²	82.2	69%	0.687	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	1.6	173.3	61.8	0	0	0	0	114.8	A666 K667 H668 D672	A666-T670 WeakPolarHBondContact O-CG2 3.32Å; A666-T670 PolarHBondContact O-N 3.29Å; A666-T670 PolarHBondContact O-OG1 3.48Å; K667-T670 WeakPolarHBondContact CA-OG1 3.4Å; K667-T670 CarbonylContact O-C 3.22Å; K667-T670 PolarHBondContact O-N 3.41Å; K667-T670 PolarHBondContact O-OG1 3.01Å; K667-T670 VanDerWaalsContact O-OG1 3.12Å; H668-T670 VanDerWaalsContact C-N 3.28Å; H668-T670 PolarHBondContact O-N 3.27Å; T670-D672 PolarHBondContact O-N 3.17Å
671	S	69.4	Low	69.8	Low	49 Å²	49	78.7 Å²	78.7	34%	0.343	44%	0.438	S	S	.	.			trans	-63.6	130.2	-175.6	62.3	0	0	0	0	111.6	K667 H668 V669 R673	K667-S671 PolarHBondContact O-N 3.37Å; H668-S671 VanDerWaalsContact O-CB 3.23Å; H668-S671 WeakPolarHBondContact O-CB 3.32Å; H668-S671 PolarHBondContact O-N 3.15Å; H668-S671 VanDerWaalsContact O-N 3.07Å; H668-S671 PolarHBondContact O-OG 3.24Å; V669-S671 VanDerWaalsContact C-N 3.34Å; S671-R673 VanDerWaalsContact C-N 3.35Å; S671-R673 PolarHBondContact O-N 3.26Å; S671-R673 PolarHBondContact OG-NE 2.92Å
672	D	61.7	Low	69.4	Low	124 Å²	124	78.9 Å²	78.9	66%	0.663	44%	0.44	S	S	*	.			trans	-78	86.8	-179	-168.8	-9.9	0	0	0	111	T670 T674	T670-D672 PolarHBondContact O-N 3.17Å; D672-T674 PolarHBondContact O-N 3.22Å; D672-T674 WeakPolarHBondContact OD1-CB 3.47Å; D672-T674 WeakPolarHBondContact OD1-CG2 3.23Å; D672-T674 PolarHBondContact OD1-N 2.79Å; D672-T674 PolarHBondContact OD1-OG1 3.04Å
673	R	66.3	Low	68.7	Low	52 Å²	52	80.6 Å²	80.6	20%	0.196	44%	0.442	C	S	.	.			trans	-86.8	26.9	176.2	-54.6	-175.6	178.8	-138.7	8.7	113	H668 S671 Q675 S720 G724	H668-R673 PolarHBondContact CE1-NH2 3.31Å; H668-R673 PolarHBondContact NE2-NH2 3.28Å; S671-R673 VanDerWaalsContact C-N 3.35Å; S671-R673 PolarHBondContact O-N 3.26Å; S671-R673 PolarHBondContact OG-NE 2.92Å; R673-Q675 VanDerWaalsContact C-N 3.28Å; R673-Q675 PolarHBondContact O-N 3Å; R673-S720 WeakPolarHBondContact CB-OG 3.32Å; R673-S720 VanDerWaalsContact CD-O 3.31Å; R673-S720 WeakPolarHBondContact CD-O 3.37Å; R673-S720 PolarHBondContact NH1-O 2.96Å; R673-S720 WeakPolarHBondContact O-CB 3.33Å; R673-S720 PolarHBondContact O-OG 3.27Å; R673-G724 VanDerWaalsContact NH1-C 3.27Å; R673-G724 PolarHBondContact NH1-OXT 3.49Å; R673-G724 PolarHBondContact NH2-OXT 3.11Å; R673-G724 VanDerWaalsContact NH2-OXT 3.07Å
674	T	59.6	Low	68	Low	52 Å²	52	80.1 Å²	80.1	32%	0.319	44%	0.443	S	S	.	.			trans	-84	16.6	-177.1	64.2	0	0	0	0	115.4	D672 A676 Q717	D672-T674 PolarHBondContact O-N 3.22Å; D672-T674 WeakPolarHBondContact OD1-CB 3.47Å; D672-T674 WeakPolarHBondContact OD1-CG2 3.23Å; D672-T674 PolarHBondContact OD1-N 2.79Å; D672-T674 PolarHBondContact OD1-OG1 3.04Å; T674-A676 PolarHBondContact O-N 3.01Å; T674-A676 VanDerWaalsContact O-N 3.08Å; T674-Q717 HydrophobicContact CG2-CG 4.2Å
675	Q	54.8	Low	67.3	Low	167 Å²	167	81.1 Å²	81.1	78%	0.78	47%	0.465	S	S	*	.			trans	-61.7	115.5	168.5	-67.1	-162.5	17.7	0	0	109.7	R673 N677	R673-Q675 VanDerWaalsContact C-N 3.28Å; R673-Q675 PolarHBondContact O-N 3Å; Q675-N677 PolarHBondContact O-N 3.48Å
676	A	52.3	Low	66.9	Low	67 Å²	67	82.5 Å²	82.5	55%	0.554	49%	0.488	S	S	*	.			trans	-76.3	105.1	-178.9	0	0	0	0	0	109.8	T674 D678	T674-A676 PolarHBondContact O-N 3.01Å; T674-A676 VanDerWaalsContact O-N 3.08Å; A676-D678 PolarHBondContact O-N 2.89Å
677	N	53.1	Low	67	Low	100 Å²	100	81.1 Å²	81.1	54%	0.535	47%	0.473	S	S	.	.			trans	-65.8	124.4	169.9	-68.2	-28.2	0	0	0	109.2	Q675 S679 D680	Q675-N677 PolarHBondContact O-N 3.48Å; N677-S679 WeakPolarHBondContact CB-OG 3.49Å; N677-S679 PolarHBondContact O-N 3.46Å; N677-D680 PolarHBondContact O-N 2.87Å
678	D	53.4	Low	67.1	Low	147 Å²	147	77 Å²	77	79%	0.786	45%	0.454	S	S	*	.	G	3₁₀ helix	trans	-59.9	-15.3	178.9	-99.8	-38.7	0	0	0	113	A676 D680 V681	A676-D678 PolarHBondContact O-N 2.89Å; D678-D680 PolarHBondContact O-N 3.17Å; D678-V681 PolarHBondContact O-N 3.47Å
679	S	58.2	Low	67.2	Low	80 Å²	80	77.1 Å²	77.1	56%	0.559	46%	0.457	S	S	*	.	G	3₁₀ helix	trans	-57.2	-27	170.7	56.1	0	0	0	0	114.4	N677 V681 N691	N677-S679 WeakPolarHBondContact CB-OG 3.49Å; N677-S679 PolarHBondContact O-N 3.46Å; S679-V681 PolarHBondContact O-N 2.92Å; S679-N691 PolarHBondContact O-ND2 3.34Å; S679-N691 VanDerWaalsContact O-ND2 3.12Å
680	D	62.3	Low	67.6	Low	26 Å²	26	73.6 Å²	73.6	14%	0.139	44%	0.435	C	S	.	.	G	3₁₀ helix	trans	-85	-1.9	-171.2	-66.6	-6.1	0	0	0	113	N677 D678 N691 L692	N677-D680 PolarHBondContact O-N 2.87Å; D678-D680 PolarHBondContact O-N 3.17Å; D680-N691 PolarHBondContact O-N 3.19Å; D680-L692 HydrophobicContact CB-CD1 4.38Å; D680-L692 HydrophobicContact CB-CG 4.15Å; D680-L692 WeakPolarHBondContact OD2-CD1 3.44Å
681	V	67.8	Low	67.8	Low	25 Å²	25	71.7 Å²	71.7	15%	0.152	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	118.1	-179.8	-174.2	0	0	0	0	110.2	D678 S679 H683 V689 F703 M707	D678-V681 PolarHBondContact O-N 3.47Å; S679-V681 PolarHBondContact O-N 2.92Å; V681-H683 WeakPolarHBondContact CG1-NE2 3.31Å; V681-V689 WeakPolarHBondContact CA-O 3.49Å; V681-F703 HydrophobicContact CB-CE1 4.33Å; V681-F703 HydrophobicContact CB-CZ 4.36Å; V681-F703 HydrophobicContact CG1-CE1 3.58Å; V681-F703 HydrophobicContact CG1-CZ 3.73Å; V681-F703 HydrophobicContact CG2-CE1 3.79Å; V681-F703 HydrophobicContact CG2-CZ 3.98Å; V681-M707 HydrophobicContact CG2-CE 4.15Å; V681-M707 HydrophobicContact CG2-SD 4.12Å
682	S	71.9	Confident	68.4	Low	39 Å²	39	71 Å²	71	27%	0.273	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	120.3	175.3	-69.1	0	0	0	0	111.7	V689 N691	S682-V689 PolarHBondContact N-O 2.74Å; S682-V689 WeakPolarHBondContact O-CB 3.37Å; S682-V689 PolarHBondContact O-N 3.38Å; S682-N691 PolarHBondContact OG-ND2 3.36Å; S682-N691 PolarHBondContact OG-OD1 2.88Å
683	H	71.2	Confident	69.4	Low	126 Å²	126	66.2 Å²	66.2	58%	0.583	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.2	103.6	178.2	-69.9	-94.9	0	0	0	110.1	V681 Y688	V681-H683 WeakPolarHBondContact CG1-NE2 3.31Å; H683-Y688 AromaticContact CE1-CD1 3.43Å; H683-Y688 VanDerWaalsContact CE1-CD1 3.43Å; H683-Y688 WeakPolarHBondContact CE1-CD1 3.43Å; H683-Y688 AromaticContact CE1-CE1 3.45Å; H683-Y688 VanDerWaalsContact CE1-CE1 3.45Å; H683-Y688 WeakPolarHBondContact CE1-CE1 3.13Å; H683-Y688 AromaticContact ND1-CD1 3.83Å; H683-Y688 AromaticContact ND1-CE1 3.89Å
684	L	66.9	Low	70.1	Confident	115 Å²	115	72.8 Å²	72.8	60%	0.602	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.2	115.7	-176.1	-71.4	172.9	0	0	0	111.4	G686 N687	L684-G686 PolarHBondContact O-N 2.97Å; L684-N687 PolarHBondContact N-O 2.97Å; L684-N687 VanDerWaalsContact O-CB 3.32Å; L684-N687 WeakPolarHBondContact O-CB 3.27Å; L684-N687 PolarHBondContact O-N 3.41Å; L684-N687 PolarHBondContact O-ND2 3.38Å
685	A	66.2	Low	71.3	Confident	104 Å²	104	74.4 Å²	74.4	86%	0.86	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.9	51.6	177.4	0	0	0	0	0	113.8	N687	A685-N687 PolarHBondContact O-N 3.26Å; A685-N687 PolarHBondContact O-ND2 3.33Å
686	G	73.8	Confident	72.9	Confident	62 Å²	62	72.6 Å²	72.6	64%	0.639	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.9	4.9	-178.9	0	0	0	0	0	115.4	L684	L684-G686 PolarHBondContact O-N 2.97Å
687	N	82.2	Confident	74.5	Confident	20 Å²	20	70.2 Å²	70.2	11%	0.107	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	136.1	173.5	-49.5	-96.9	0	0	0	110	L684 A685 K696 T697 Q698	L684-N687 PolarHBondContact N-O 2.97Å; L684-N687 VanDerWaalsContact O-CB 3.32Å; L684-N687 WeakPolarHBondContact O-CB 3.27Å; L684-N687 PolarHBondContact O-N 3.41Å; L684-N687 PolarHBondContact O-ND2 3.38Å; A685-N687 PolarHBondContact O-N 3.26Å; A685-N687 PolarHBondContact O-ND2 3.33Å; N687-K696 HydrophobicContact CB-CD 4.38Å; N687-K696 VanDerWaalsContact CB-CE 3.48Å; N687-K696 HydrophobicContact CB-CG 4.05Å; N687-K696 WeakPolarHBondContact OD1-CE 3.36Å; N687-T697 CarbonylContact C-O 3.57Å; N687-T697 WeakPolarHBondContact CA-O 3.35Å; N687-Q698 VanDerWaalsContact OD1-CG 3.25Å; N687-Q698 WeakPolarHBondContact OD1-CG 3.39Å; N687-Q698 PolarHBondContact OD1-NE2 3.43Å
688	Y	84.2	Confident	76	Confident	52 Å²	52	72.3 Å²	72.3	20%	0.204	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	123.3	166.5	-58.3	-107.2	0	0	0	107.5	H683 K696 T697 K700 F703	H683-Y688 AromaticContact CE1-CD1 3.43Å; H683-Y688 VanDerWaalsContact CE1-CD1 3.43Å; H683-Y688 WeakPolarHBondContact CE1-CD1 3.43Å; H683-Y688 AromaticContact CE1-CE1 3.45Å; H683-Y688 VanDerWaalsContact CE1-CE1 3.45Å; H683-Y688 WeakPolarHBondContact CE1-CE1 3.13Å; H683-Y688 AromaticContact ND1-CD1 3.83Å; H683-Y688 AromaticContact ND1-CE1 3.89Å; Y688-K696 WeakPolarHBondContact O-CA 3.32Å; Y688-T697 PolarHBondContact N-O 3.29Å; Y688-T697 PolarHBondContact O-N 3.31Å; Y688-K700 HydrophobicContact CE1-CB 3.94Å; Y688-K700 HydrophobicContact CE1-CD 4.15Å; Y688-K700 HydrophobicContact CE1-CG 3.73Å; Y688-K700 HydrophobicContact CE2-CB 4.13Å; Y688-F703 VanDerWaalsContact CB-CD2 3.48Å; Y688-F703 HydrophobicContact CD1-CB 4.25Å; Y688-F703 HydrophobicContact CD1-CD1 4.17Å; Y688-F703 HydrophobicContact CD1-CG 4.2Å; Y688-F703 HydrophobicContact CG-CB 4.12Å; Y688-F703 HydrophobicContact CG-CG 4.16Å
689	V	84.4	Confident	77.5	Confident	27 Å²	27	70.3 Å²	70.3	16%	0.164	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	132.8	179.1	-172.8	0	0	0	0	109.2	V681 S682 Y695 K696	V681-V689 WeakPolarHBondContact CA-O 3.49Å; S682-V689 PolarHBondContact N-O 2.74Å; S682-V689 WeakPolarHBondContact O-CB 3.37Å; S682-V689 PolarHBondContact O-N 3.38Å; V689-Y695 CarbonylContact C-O 3.6Å; V689-Y695 WeakPolarHBondContact CA-O 3.45Å; V689-K696 HydrophobicContact CG2-CB 4.43Å; V689-K696 HydrophobicContact CG2-CD 4.39Å; V689-K696 HydrophobicContact CG2-CG 4.11Å
690	C	86.4	Confident	78.7	Confident	0 Å²	0	73.5 Å²	73.5	0%	0	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	120.9	172.1	169.9	0	0	0	0	108.8	C693 K694 Y695 F703 H706 H712	C690-C693 HydrophobicContact CB-CB 4.46Å; C690-C693 PolarHBondContact O-N 3.35Å; C690-K694 VanDerWaalsContact O-CA 3.27Å; C690-K694 WeakPolarHBondContact O-CA 3.3Å; C690-K694 PolarHBondContact O-N 2.72Å; C690-Y695 PolarHBondContact N-O 3.28Å; C690-F703 HydrophobicContact CB-CE2 3.67Å; C690-F703 HydrophobicContact CB-CZ 3.86Å; C690-H706 WeakPolarHBondContact CB-NE2 3.45Å; C690-H712 PolarHBondContact SG-CE1 3.33Å; C690-H712 PolarHBondContact SG-ND1 2.99Å
691	N	78.2	Confident	79.8	Confident	71 Å²	71	75.9 Å²	75.9	38%	0.38	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-42.3	-175.3	-65.7	-23.9	0	0	0	111.4	S679 D680 S682 C693	S679-N691 PolarHBondContact O-ND2 3.34Å; S679-N691 VanDerWaalsContact O-ND2 3.12Å; D680-N691 PolarHBondContact O-N 3.19Å; S682-N691 PolarHBondContact OG-ND2 3.36Å; S682-N691 PolarHBondContact OG-OD1 2.88Å; N691-C693 VanDerWaalsContact C-N 3.25Å; N691-C693 PolarHBondContact O-N 2.83Å
692	L	80.7	Confident	80.6	Confident	36 Å²	36	77.7 Å²	77.7	19%	0.188	42%	0.42	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-30.1	175.8	-57.4	179.2	0	0	0	114.4	D680 L716 V719	D680-L692 HydrophobicContact CB-CD1 4.38Å; D680-L692 HydrophobicContact CB-CG 4.15Å; D680-L692 WeakPolarHBondContact OD2-CD1 3.44Å; L692-L716 HydrophobicContact CD1-CB 4.04Å; L692-L716 HydrophobicContact CD1-CD1 3.72Å; L692-L716 HydrophobicContact CD1-CG 4.5Å; L692-V719 HydrophobicContact CD2-CB 4.21Å; L692-V719 HydrophobicContact CD2-CG1 4.04Å; L692-V719 HydrophobicContact CD2-CG2 4.08Å
693	C	82.7	Confident	81.2	Confident	22 Å²	22	76.5 Å²	76.5	15%	0.149	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.4	-7	-172.7	-74.6	0	0	0	0	115.1	C690 N691 Y695 H706	C690-C693 HydrophobicContact CB-CB 4.46Å; C690-C693 PolarHBondContact O-N 3.35Å; N691-C693 VanDerWaalsContact C-N 3.25Å; N691-C693 PolarHBondContact O-N 2.83Å; C693-Y695 PolarHBondContact O-N 2.68Å; C693-Y695 VanDerWaalsContact O-N 3.1Å; C693-H706 VanDerWaalsContact CB-CE1 3.46Å; C693-H706 WeakPolarHBondContact CB-CE1 3.25Å; C693-H706 WeakPolarHBondContact CB-NE2 3.21Å
694	K	82.4	Confident	81.8	Confident	191 Å²	191	73.5 Å²	73.5	83%	0.83	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	24.1	-170	-57.5	-176.4	180	179.6	0	113.5	C690	C690-K694 VanDerWaalsContact O-CA 3.27Å; C690-K694 WeakPolarHBondContact O-CA 3.3Å; C690-K694 PolarHBondContact O-N 2.72Å
695	Y	85	Confident	82.8	Confident	86 Å²	86	73.7 Å²	73.7	34%	0.337	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	134.2	177.8	178.9	-100.7	0	0	0	110.3	V689 C690 C693 T697 F703 H706	V689-Y695 CarbonylContact C-O 3.6Å; V689-Y695 WeakPolarHBondContact CA-O 3.45Å; C690-Y695 PolarHBondContact N-O 3.28Å; C693-Y695 PolarHBondContact O-N 2.68Å; C693-Y695 VanDerWaalsContact O-N 3.1Å; Y695-T697 HydrophobicContact CE1-CG2 3.83Å; Y695-F703 HydrophobicContact CD1-CD2 4.4Å; Y695-H706 HydrophobicContact CD1-CB 3.66Å; Y695-H706 AromaticContact CD1-CD2 3.45Å; Y695-H706 VanDerWaalsContact CD1-CD2 3.45Å; Y695-H706 WeakPolarHBondContact CD1-CD2 3.44Å; Y695-H706 AromaticContact CD1-CG 3.4Å; Y695-H706 HydrophobicContact CE1-CB 3.62Å; Y695-H706 AromaticContact CE1-CG 3.91Å; Y695-H706 HydrophobicContact CG-CB 4.38Å; Y695-H706 AromaticContact CG-CD2 3.83Å; Y695-H706 AromaticContact CG-CG 3.76Å; Y695-H706 AromaticContact CG-ND1 3.99Å
696	K	87.7	Confident	83.8	Confident	128 Å²	128	69.7 Å²	69.7	56%	0.557	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.8	133.2	-177.7	-179.7	172.5	-176.7	177.3	0	111	N687 Y688 V689	N687-K696 HydrophobicContact CB-CD 4.38Å; N687-K696 VanDerWaalsContact CB-CE 3.48Å; N687-K696 HydrophobicContact CB-CG 4.05Å; N687-K696 WeakPolarHBondContact OD1-CE 3.36Å; Y688-K696 WeakPolarHBondContact O-CA 3.32Å; V689-K696 HydrophobicContact CG2-CB 4.43Å; V689-K696 HydrophobicContact CG2-CD 4.39Å; V689-K696 HydrophobicContact CG2-CG 4.11Å
697	T	86.5	Confident	84.3	Confident	18 Å²	18	68.9 Å²	68.9	11%	0.11	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	154.7	174.9	-162	0	0	0	0	112.2	N687 Y688 Y695 L699 N702 F703	N687-T697 CarbonylContact C-O 3.57Å; N687-T697 WeakPolarHBondContact CA-O 3.35Å; Y688-T697 PolarHBondContact N-O 3.29Å; Y688-T697 PolarHBondContact O-N 3.31Å; Y695-T697 HydrophobicContact CE1-CG2 3.83Å; T697-L699 WeakPolarHBondContact CG2-O 3.43Å; T697-N702 HydrophobicContact CG2-CB 3.88Å; T697-N702 PolarHBondContact OG1-ND2 3.3Å; T697-F703 HydrophobicContact CG2-CB 3.84Å; T697-F703 HydrophobicContact CG2-CD2 4.24Å
698	Q	84	Confident	84.3	Confident	143 Å²	143	76.2 Å²	76.2	67%	0.668	38%	0.382	S	S	*	.	S	Bend	trans	-92.5	-6.7	175.8	-69.1	174.5	3.6	0	0	113	N687	N687-Q698 VanDerWaalsContact OD1-CG 3.25Å; N687-Q698 WeakPolarHBondContact OD1-CG 3.39Å; N687-Q698 PolarHBondContact OD1-NE2 3.43Å
699	L	84.5	Confident	84.4	Confident	106 Å²	106	76.2 Å²	76.2	56%	0.555	39%	0.388	S	S	*	.			trans	-111.9	117.2	-174.3	-65.3	174.3	0	0	0	110.9	T697 A701 N702 F703	T697-L699 WeakPolarHBondContact CG2-O 3.43Å; L699-A701 PolarHBondContact O-N 3.21Å; L699-A701 VanDerWaalsContact O-N 3.13Å; L699-N702 HydrophobicContact CB-CB 4.24Å; L699-N702 WeakPolarHBondContact O-CB 3.49Å; L699-N702 PolarHBondContact O-N 3.3Å; L699-F703 PolarHBondContact O-N 2.98Å; L699-F703 VanDerWaalsContact O-N 3.14Å
700	K	83.4	Confident	84.2	Confident	146 Å²	146	81.5 Å²	81.5	64%	0.635	41%	0.41	S	S	*	.	H	α-helix	trans	-51.8	-38	178.4	-167	170.8	-178.5	175.2	0	112.7	Y688 F703 A704	Y688-K700 HydrophobicContact CE1-CB 3.94Å; Y688-K700 HydrophobicContact CE1-CD 4.15Å; Y688-K700 HydrophobicContact CE1-CG 3.73Å; Y688-K700 HydrophobicContact CE2-CB 4.13Å; K700-F703 WeakPolarHBondContact O-CB 3.45Å; K700-F703 PolarHBondContact O-N 3.25Å; K700-A704 PolarHBondContact O-N 3.28Å
701	A	85	Confident	83.9	Confident	76 Å²	76	89 Å²	89	63%	0.628	44%	0.443	S	S	*	.	H	α-helix	trans	-63.7	-39.1	176.6	0	0	0	0	0	113.6	L699 F703 L705	L699-A701 PolarHBondContact O-N 3.21Å; L699-A701 VanDerWaalsContact O-N 3.13Å; A701-F703 VanDerWaalsContact C-N 3.3Å; A701-L705 WeakPolarHBondContact O-CB 3.09Å; A701-L705 PolarHBondContact O-N 2.87Å
702	N	84.7	Confident	84.2	Confident	64 Å²	64	85.7 Å²	85.7	34%	0.342	43%	0.425	S	S	.	.	H	α-helix	trans	-69	-31.6	173.8	-74.7	-19.7	0	0	0	111.5	T697 L699 H706	T697-N702 HydrophobicContact CG2-CB 3.88Å; T697-N702 PolarHBondContact OG1-ND2 3.3Å; L699-N702 HydrophobicContact CB-CB 4.24Å; L699-N702 WeakPolarHBondContact O-CB 3.49Å; L699-N702 PolarHBondContact O-N 3.3Å; N702-H706 WeakPolarHBondContact O-CB 3.47Å; N702-H706 PolarHBondContact O-N 3.44Å
703	F	86	Confident	84.2	Confident	13 Å²	13	86.8 Å²	86.8	6%	0.057	43%	0.431	C	S	.	.	H	α-helix	trans	-71.5	-47.3	177.6	-164.2	-104.5	0	0	0	111.8	V681 Y688 C690 Y695 T697 L699 K700 A701 L705 H706 M707	V681-F703 HydrophobicContact CB-CE1 4.33Å; V681-F703 HydrophobicContact CB-CZ 4.36Å; V681-F703 HydrophobicContact CG1-CE1 3.58Å; V681-F703 HydrophobicContact CG1-CZ 3.73Å; V681-F703 HydrophobicContact CG2-CE1 3.79Å; V681-F703 HydrophobicContact CG2-CZ 3.98Å; Y688-F703 VanDerWaalsContact CB-CD2 3.48Å; Y688-F703 HydrophobicContact CD1-CB 4.25Å; Y688-F703 HydrophobicContact CD1-CD1 4.17Å; Y688-F703 HydrophobicContact CD1-CG 4.2Å; Y688-F703 HydrophobicContact CG-CB 4.12Å; Y688-F703 HydrophobicContact CG-CG 4.16Å; C690-F703 HydrophobicContact CB-CE2 3.67Å; C690-F703 HydrophobicContact CB-CZ 3.86Å; Y695-F703 HydrophobicContact CD1-CD2 4.4Å; T697-F703 HydrophobicContact CG2-CB 3.84Å; T697-F703 HydrophobicContact CG2-CD2 4.24Å; L699-F703 PolarHBondContact O-N 2.98Å; L699-F703 VanDerWaalsContact O-N 3.14Å; K700-F703 WeakPolarHBondContact O-CB 3.45Å; K700-F703 PolarHBondContact O-N 3.25Å; A701-F703 VanDerWaalsContact C-N 3.3Å; F703-L705 VanDerWaalsContact C-N 3.28Å; F703-L705 PolarHBondContact O-N 2.88Å; F703-H706 WeakPolarHBondContact O-CA 3.45Å; F703-H706 WeakPolarHBondContact O-CB 3.39Å; F703-H706 PolarHBondContact O-N 2.81Å; F703-M707 HydrophobicContact CD1-CG 4.34Å; F703-M707 HydrophobicContact CD1-SD 4.1Å; F703-M707 HydrophobicContact CE1-CG 4.01Å; F703-M707 HydrophobicContact CE1-SD 3.46Å; F703-M707 WeakPolarHBondContact CE1-SD 3.43Å; F703-M707 HydrophobicContact CZ-CG 4.34Å; F703-M707 HydrophobicContact CZ-SD 4.06Å; F703-M707 PolarHBondContact O-N 3Å
704	A	83.4	Confident	84.1	Confident	63 Å²	63	90.3 Å²	90.3	52%	0.521	45%	0.445	S	S	.	.	H	α-helix	trans	-58.9	-39.5	173	0	0	0	0	0	112.1	K700 K708	K700-A704 PolarHBondContact O-N 3.28Å; A704-K708 PolarHBondContact O-N 3.39Å
705	L	86.9	Confident	84	Confident	120 Å²	120	87.3 Å²	87.3	63%	0.628	43%	0.429	S	S	*	.	H	α-helix	trans	-65.1	-39.9	172.7	-175.9	63.3	0	0	0	112	A701 F703 K708 T709	A701-L705 WeakPolarHBondContact O-CB 3.09Å; A701-L705 PolarHBondContact O-N 2.87Å; F703-L705 VanDerWaalsContact C-N 3.28Å; F703-L705 PolarHBondContact O-N 2.88Å; L705-K708 CarbonylContact O-C 3.12Å; L705-K708 PolarHBondContact O-N 2.95Å; L705-T709 WeakPolarHBondContact O-CG2 3.12Å; L705-T709 PolarHBondContact O-N 2.99Å
706	H	87.4	Confident	83.7	Confident	20 Å²	20	83.8 Å²	83.8	9%	0.093	42%	0.416	C	S	.	.	H	α-helix	trans	-62	-47.2	176.7	167.9	53.2	0	0	0	112.5	C690 C693 Y695 N702 F703 K708 T709 H712	C690-H706 WeakPolarHBondContact CB-NE2 3.45Å; C693-H706 VanDerWaalsContact CB-CE1 3.46Å; C693-H706 WeakPolarHBondContact CB-CE1 3.25Å; C693-H706 WeakPolarHBondContact CB-NE2 3.21Å; Y695-H706 HydrophobicContact CD1-CB 3.66Å; Y695-H706 AromaticContact CD1-CD2 3.45Å; Y695-H706 VanDerWaalsContact CD1-CD2 3.45Å; Y695-H706 WeakPolarHBondContact CD1-CD2 3.44Å; Y695-H706 AromaticContact CD1-CG 3.4Å; Y695-H706 HydrophobicContact CE1-CB 3.62Å; Y695-H706 AromaticContact CE1-CG 3.91Å; Y695-H706 HydrophobicContact CG-CB 4.38Å; Y695-H706 AromaticContact CG-CD2 3.83Å; Y695-H706 AromaticContact CG-CG 3.76Å; Y695-H706 AromaticContact CG-ND1 3.99Å; N702-H706 WeakPolarHBondContact O-CB 3.47Å; N702-H706 PolarHBondContact O-N 3.44Å; F703-H706 WeakPolarHBondContact O-CA 3.45Å; F703-H706 WeakPolarHBondContact O-CB 3.39Å; F703-H706 PolarHBondContact O-N 2.81Å; H706-K708 PolarHBondContact O-N 3.44Å; H706-T709 WeakPolarHBondContact O-CB 3.33Å; H706-T709 PolarHBondContact O-N 2.88Å; H706-T709 PolarHBondContact O-OG1 3.33Å; H706-H712 AromaticContact CE1-ND1 3.78Å; H706-H712 AromaticContact NE2-ND1 3.36Å; H706-H712 PolarHBondContact NE2-ND1 3.27Å; H706-H712 WeakPolarHBondContact O-CB 3.21Å
707	M	83.7	Confident	83	Confident	45 Å²	45	82.3 Å²	82.3	22%	0.222	41%	0.411	C	S	.	.	H	α-helix	trans	-63.7	-25.8	178.9	-60.9	-163.3	81.7	0	0	112.3	V681 F703 T709 H712	V681-M707 HydrophobicContact CG2-CE 4.15Å; V681-M707 HydrophobicContact CG2-SD 4.12Å; F703-M707 HydrophobicContact CD1-CG 4.34Å; F703-M707 HydrophobicContact CD1-SD 4.1Å; F703-M707 HydrophobicContact CE1-CG 4.01Å; F703-M707 HydrophobicContact CE1-SD 3.46Å; F703-M707 WeakPolarHBondContact CE1-SD 3.43Å; F703-M707 HydrophobicContact CZ-CG 4.34Å; F703-M707 HydrophobicContact CZ-SD 4.06Å; F703-M707 PolarHBondContact O-N 3Å; M707-T709 VanDerWaalsContact C-N 3.34Å; M707-H712 PolarHBondContact O-CD2 2.77Å
708	K	82.6	Confident	82.5	Confident	173 Å²	173	86.3 Å²	86.3	75%	0.752	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	11.2	171.8	-155.2	162.5	-174.2	166.5	0	114.4	A704 L705 H706	A704-K708 PolarHBondContact O-N 3.39Å; L705-K708 CarbonylContact O-C 3.12Å; L705-K708 PolarHBondContact O-N 2.95Å; H706-K708 PolarHBondContact O-N 3.44Å
709	T	86.5	Confident	82	Confident	53 Å²	53	82.5 Å²	82.5	33%	0.325	42%	0.417	S	S	.	.	S	Bend	trans	-81.9	139.8	170.9	59.3	0	0	0	0	111.5	L705 H706 M707 K711 H712 L713	L705-T709 WeakPolarHBondContact O-CG2 3.12Å; L705-T709 PolarHBondContact O-N 2.99Å; H706-T709 WeakPolarHBondContact O-CB 3.33Å; H706-T709 PolarHBondContact O-N 2.88Å; H706-T709 PolarHBondContact O-OG1 3.33Å; M707-T709 VanDerWaalsContact C-N 3.34Å; T709-K711 PolarHBondContact O-N 2.89Å; T709-H712 WeakPolarHBondContact O-CA 3.43Å; T709-H712 WeakPolarHBondContact O-CB 3.39Å; T709-H712 PolarHBondContact O-N 3.16Å; T709-H712 WeakPolarHBondContact OG1-CB 3.42Å; T709-L713 PolarHBondContact O-N 3.23Å
710	E	80.3	Confident	81.3	Confident	137 Å²	137	78.6 Å²	78.6	64%	0.64	40%	0.399	S	S	*	.	H	α-helix	trans	-47.9	-45.3	174.7	-171.2	-165	164.5	0	0	112.6	H712 L713 Q714	E710-H712 VanDerWaalsContact C-N 3.28Å; E710-H712 PolarHBondContact O-N 3.41Å; E710-L713 PolarHBondContact O-N 3.45Å; E710-Q714 WeakPolarHBondContact O-CB 3.3Å; E710-Q714 WeakPolarHBondContact O-CG 3.27Å; E710-Q714 PolarHBondContact O-N 3.32Å; E710-Q714 PolarHBondContact OE1-NE2 3.41Å
711	K	79.6	Confident	80.7	Confident	158 Å²	158	72.3 Å²	72.3	69%	0.687	37%	0.372	S	S	*	.	H	α-helix	trans	-66.9	-23.1	178.2	-64	-166.8	175.8	-165.2	0	114.6	T709 R715	T709-K711 PolarHBondContact O-N 2.89Å; K711-R715 WeakPolarHBondContact O-CG 3.38Å
712	H	84.6	Confident	79.9	Confident	2 Å²	2	72.6 Å²	72.6	1%	0.009	37%	0.366	C	S	.	.	H	α-helix	trans	-79.2	-48.6	170.1	177.4	96.9	0	0	0	109.7	C690 H706 M707 T709 E710 Q714 R715 L716	C690-H712 PolarHBondContact SG-CE1 3.33Å; C690-H712 PolarHBondContact SG-ND1 2.99Å; H706-H712 AromaticContact CE1-ND1 3.78Å; H706-H712 AromaticContact NE2-ND1 3.36Å; H706-H712 PolarHBondContact NE2-ND1 3.27Å; H706-H712 WeakPolarHBondContact O-CB 3.21Å; M707-H712 PolarHBondContact O-CD2 2.77Å; T709-H712 WeakPolarHBondContact O-CA 3.43Å; T709-H712 WeakPolarHBondContact O-CB 3.39Å; T709-H712 PolarHBondContact O-N 3.16Å; T709-H712 WeakPolarHBondContact OG1-CB 3.42Å; E710-H712 VanDerWaalsContact C-N 3.28Å; E710-H712 PolarHBondContact O-N 3.41Å; H712-Q714 PolarHBondContact O-N 2.98Å; H712-R715 PolarHBondContact O-N 3.35Å; H712-L716 PolarHBondContact O-N 3.25Å
713	L	81.8	Confident	78.7	Confident	59 Å²	59	73.5 Å²	73.5	31%	0.309	38%	0.382	S	S	.	.	H	α-helix	trans	-58.7	-43.5	-179.6	-66.2	168.6	0	0	0	112.3	T709 E710 R715 L716 Q717	T709-L713 PolarHBondContact O-N 3.23Å; E710-L713 PolarHBondContact O-N 3.45Å; L713-R715 VanDerWaalsContact C-N 3.27Å; L713-R715 PolarHBondContact O-N 2.61Å; L713-L716 PolarHBondContact O-N 3.42Å; L713-Q717 WeakPolarHBondContact O-CB 3.37Å; L713-Q717 VanDerWaalsContact O-CG 3.28Å; L713-Q717 WeakPolarHBondContact O-CG 3.38Å; L713-Q717 PolarHBondContact O-N 3.21Å
714	Q	79.8	Confident	77	Confident	96 Å²	96	76 Å²	76	45%	0.449	41%	0.412	S	S	.	.	H	α-helix	trans	-59	-35.4	174.4	-74.9	165.4	-10.6	0	0	113	E710 H712 L718	E710-Q714 WeakPolarHBondContact O-CB 3.3Å; E710-Q714 WeakPolarHBondContact O-CG 3.27Å; E710-Q714 PolarHBondContact O-N 3.32Å; E710-Q714 PolarHBondContact OE1-NE2 3.41Å; H712-Q714 PolarHBondContact O-N 2.98Å; Q714-L718 WeakPolarHBondContact O-CB 3.09Å; Q714-L718 PolarHBondContact O-N 2.78Å; Q714-L718 VanDerWaalsContact O-N 3.16Å
715	R	81.3	Confident	76.7	Confident	128 Å²	128	76.7 Å²	76.7	48%	0.483	41%	0.407	S	S	.	.	H	α-helix	trans	-78.5	-39.6	176.9	-75.1	175.5	170.6	176.5	-5.5	112.3	K711 H712 L713 L718 V719	K711-R715 WeakPolarHBondContact O-CG 3.38Å; H712-R715 PolarHBondContact O-N 3.35Å; L713-R715 VanDerWaalsContact C-N 3.27Å; L713-R715 PolarHBondContact O-N 2.61Å; R715-L718 PolarHBondContact O-N 3.33Å; R715-V719 WeakPolarHBondContact O-CB 3.49Å; R715-V719 WeakPolarHBondContact O-CG2 3.43Å; R715-V719 PolarHBondContact O-N 2.78Å
716	L	78.8	Confident	76.1	Confident	11 Å²	11	74.4 Å²	74.4	6%	0.058	40%	0.395	C	S	.	.	H	α-helix	trans	-59.6	-49.8	173.6	179.1	65.2	0	0	0	110	L692 H712 L713 L718 V719 S720	L692-L716 HydrophobicContact CD1-CB 4.04Å; L692-L716 HydrophobicContact CD1-CD1 3.72Å; L692-L716 HydrophobicContact CD1-CG 4.5Å; H712-L716 PolarHBondContact O-N 3.25Å; L713-L716 PolarHBondContact O-N 3.42Å; L716-L718 PolarHBondContact O-N 3.14Å; L716-V719 PolarHBondContact O-N 3.28Å; L716-S720 WeakPolarHBondContact O-CB 3.42Å; L716-S720 PolarHBondContact O-N 2.94Å; L716-S720 PolarHBondContact O-OG 2.83Å
717	Q	73.4	Confident	75.5	Confident	98 Å²	98	77.4 Å²	77.4	46%	0.458	41%	0.412	S	S	.	.	H	α-helix	trans	-58	-45.1	175.6	-74.7	172.3	-38.3	0	0	112.4	T674 L713 H721	T674-Q717 HydrophobicContact CG2-CG 4.2Å; L713-Q717 WeakPolarHBondContact O-CB 3.37Å; L713-Q717 VanDerWaalsContact O-CG 3.28Å; L713-Q717 WeakPolarHBondContact O-CG 3.38Å; L713-Q717 PolarHBondContact O-N 3.21Å; Q717-H721 WeakPolarHBondContact O-CB 3.4Å; Q717-H721 PolarHBondContact O-N 2.67Å
718	L	74.2	Confident	75	Confident	102 Å²	102	79.4 Å²	79.4	53%	0.534	42%	0.423	S	S	.	.	H	α-helix	trans	-63.1	-46.6	177.2	-178.5	61.8	0	0	0	111.7	I653 Q714 R715 L716 H721 T722	I653-L718 HydrophobicContact CG2-CD1 4.14Å; Q714-L718 WeakPolarHBondContact O-CB 3.09Å; Q714-L718 PolarHBondContact O-N 2.78Å; Q714-L718 VanDerWaalsContact O-N 3.16Å; R715-L718 PolarHBondContact O-N 3.33Å; L716-L718 PolarHBondContact O-N 3.14Å; L718-H721 PolarHBondContact O-N 3.49Å; L718-T722 WeakPolarHBondContact O-CG2 3.32Å; L718-T722 PolarHBondContact O-N 3.23Å; L718-T722 PolarHBondContact O-OG1 2.94Å
719	V	73.6	Confident	74.6	Confident	63 Å²	63	73.5 Å²	73.5	38%	0.382	40%	0.402	S	S	.	.	H	α-helix	trans	-68.7	-44.8	-178	171.2	0	0	0	0	111.7	L692 R715 L716 H721 T722 A723	L692-V719 HydrophobicContact CD2-CB 4.21Å; L692-V719 HydrophobicContact CD2-CG1 4.04Å; L692-V719 HydrophobicContact CD2-CG2 4.08Å; R715-V719 WeakPolarHBondContact O-CB 3.49Å; R715-V719 WeakPolarHBondContact O-CG2 3.43Å; R715-V719 PolarHBondContact O-N 2.78Å; L716-V719 PolarHBondContact O-N 3.28Å; V719-H721 PolarHBondContact O-N 2.93Å; V719-T722 WeakPolarHBondContact CA-OG1 3.38Å; V719-T722 PolarHBondContact O-N 3.33Å; V719-T722 VanDerWaalsContact O-N 3.11Å; V719-T722 PolarHBondContact O-OG1 3.46Å; V719-A723 VanDerWaalsContact O-CB 3.28Å; V719-A723 WeakPolarHBondContact O-CB 3.34Å; V719-A723 PolarHBondContact O-N 3.28Å; V719-A723 VanDerWaalsContact O-N 3.13Å
720	S	69.9	Low	73.8	Confident	23 Å²	23	74.9 Å²	74.9	16%	0.161	41%	0.408	C	S	.	.	H	α-helix	trans	-70.3	-20.8	176.5	67.7	0	0	0	0	112.7	R673 L716	R673-S720 WeakPolarHBondContact CB-OG 3.32Å; R673-S720 VanDerWaalsContact CD-O 3.31Å; R673-S720 WeakPolarHBondContact CD-O 3.37Å; R673-S720 PolarHBondContact NH1-O 2.96Å; R673-S720 WeakPolarHBondContact O-CB 3.33Å; R673-S720 PolarHBondContact O-OG 3.27Å; L716-S720 WeakPolarHBondContact O-CB 3.42Å; L716-S720 PolarHBondContact O-N 2.94Å; L716-S720 PolarHBondContact O-OG 2.83Å
721	H	71.1	Confident	73.3	Confident	14 Å²	14	70.4 Å²	70.4	7%	0.065	39%	0.391	C	S	.	.	H	α-helix	trans	-76.1	-34.2	167.1	-160.8	-33.3	0	0	0	112.7	C651 I653 C654 H668 Q717 L718 V719 A723	C651-H721 PolarHBondContact SG-CE1 2.9Å; I653-H721 HydrophobicContact CG2-CB 3.85Å; I653-H721 VanDerWaalsContact CG2-CG 3.44Å; C654-H721 VanDerWaalsContact CB-O 3.32Å; C654-H721 WeakPolarHBondContact CB-O 3.4Å; H668-H721 AromaticContact CD2-CE1 3.62Å; H668-H721 AromaticContact CD2-NE2 3.63Å; H668-H721 AromaticContact NE2-CE1 3.09Å; H668-H721 PolarHBondContact NE2-CE1 2.91Å; H668-H721 AromaticContact NE2-NE2 3.59Å; Q717-H721 WeakPolarHBondContact O-CB 3.4Å; Q717-H721 PolarHBondContact O-N 2.67Å; L718-H721 PolarHBondContact O-N 3.49Å; V719-H721 PolarHBondContact O-N 2.93Å; H721-A723 VanDerWaalsContact C-N 3.3Å; H721-A723 PolarHBondContact O-N 3.37Å
722	T	68.8	Low	72.8	Confident	82 Å²	82	63.7 Å²	63.7	50%	0.503	37%	0.368	S	S	.	.	H	α-helix	trans	-81	-3.8	175.5	53.1	0	0	0	0	114.9	L718 V719	L718-T722 WeakPolarHBondContact O-CG2 3.32Å; L718-T722 PolarHBondContact O-N 3.23Å; L718-T722 PolarHBondContact O-OG1 2.94Å; V719-T722 WeakPolarHBondContact CA-OG1 3.38Å; V719-T722 PolarHBondContact O-N 3.33Å; V719-T722 VanDerWaalsContact O-N 3.11Å; V719-T722 PolarHBondContact O-OG1 3.46Å
723	A	59.5	Low	71.8	Confident	83 Å²	83	68.8 Å²	68.8	69%	0.686	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.6	17.6	-172	0	0	0	0	0	114.2	V719 H721	V719-A723 VanDerWaalsContact O-CB 3.28Å; V719-A723 WeakPolarHBondContact O-CB 3.34Å; V719-A723 PolarHBondContact O-N 3.28Å; V719-A723 VanDerWaalsContact O-N 3.13Å; H721-A723 VanDerWaalsContact C-N 3.3Å; H721-A723 PolarHBondContact O-N 3.37Å
724	G	50.1	Low	70.9	Confident	67 Å²	67	69.7 Å²	69.7	69%	0.691	41%	0.406	S	S	*	.			trans	170.5	0	175.7	0	0	0	0	0	114.5	R673	R673-G724 VanDerWaalsContact NH1-C 3.27Å; R673-G724 PolarHBondContact NH1-OXT 3.49Å; R673-G724 PolarHBondContact NH2-OXT 3.11Å; R673-G724 VanDerWaalsContact NH2-OXT 3.07Å

Retrieved 724 of 724 residues in 411.4 ms (Link to these results)

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