A0A061I6P6_CRIGR Loading...

Zinc finger protein 655

Probable transcription factor.

AlphaFold DB , UniProt , Accession A0A061I6P6, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene n/a, Length 539 aa.

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Loading PAE data...

(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	32.2	Very low	33.3	Very low	223 Å²	223	144.5 Å²	144.5	100%	1.099	85%	0.849	S	S	*	*				0	83.9	0	-48.7	179.6	-162	0	0	105.1
2	E	36.6	Very low	33.3	Very low	177 Å²	177	143.7 Å²	143.7	83%	0.827	85%	0.851	S	S	*	*				65.4	125.6	68.4	-63.1	173.9	143.2	0	0	109.5
3	E	32.4	Very low	32.9	Very low	181 Å²	181	149.8 Å²	149.8	85%	0.846	85%	0.85	S	S	*	*			cis	-142.1	-173.5	15.9	-63.9	-173.4	132.3	0	0	113.6
4	T	36.8	Very low	32.5	Very low	127 Å²	127	149.6 Å²	149.6	78%	0.779	85%	0.853	S	S	*	*			trans	-60.5	-177.9	171.4	55.7	0	0	0	0	113.9
5	P	51.1	Low	32.2	Very low	107 Å²	107	148.9 Å²	148.9	70%	0.695	84%	0.84	S	S	*	*			cis	-149.7	-163.1	18.8	36.6	-9.9	0	0	0	117.7
6	H	31.8	Very low	31.8	Very low	178 Å²	178	150.4 Å²	150.4	82%	0.824	84%	0.835	S	S	*	*			trans	118.9	117.9	148.6	-92.6	-66.2	0	0	0	120.6
7	E	30.6	Very low	31.4	Very low	186 Å²	186	151.9 Å²	151.9	87%	0.869	83%	0.834	S	S	*	*			trans	-74.4	144.2	160.1	-56.2	172.4	113.1	0	0	111.7
8	A	29.5	Very low	31.3	Very low	103 Å²	103	149.6 Å²	149.6	85%	0.851	83%	0.831	S	S	*	*			trans	-170	112.5	146.2	0	0	0	0	0	110.9
9	A	29.1	Very low	30.9	Very low	111 Å²	111	150.9 Å²	150.9	92%	0.917	84%	0.835	S	S	*	*			trans	-154.2	90.1	167.2	0	0	0	0	0	111.6
10	G	27.6	Very low	30.9	Very low	78 Å²	78	152.3 Å²	152.3	80%	0.804	84%	0.835	S	S	*	*			trans	-96.7	130.5	167.4	0	0	0	0	0	111.4
11	S	28.2	Very low	30.6	Very low	119 Å²	119	150.9 Å²	150.9	83%	0.832	84%	0.836	S	S	*	*			trans	39.1	134.4	155.5	-73.4	0	0	0	0	120.2
12	P	33.6	Very low	30.4	Very low	134 Å²	134	149 Å²	149	87%	0.87	83%	0.825	S	S	*	*				-136.2	168.7	95.1	37.3	-26.5	0	0	0	116.2
13	R	28.6	Very low	29.9	Very low	223 Å²	223	145.7 Å²	145.7	84%	0.842	82%	0.821	S	S	*	*			trans	-110.8	127.7	-169.2	168	-164.5	-170.9	-173.6	4.9	109.9
14	V	27.5	Very low	29.6	Very low	147 Å²	147	146 Å²	146	89%	0.891	82%	0.823	S	S	*	*			trans	-140.4	152.2	164.9	-173.4	0	0	0	0	109.8
15	Q	27.3	Very low	28.9	Very low	140 Å²	140	145.5 Å²	145.5	65%	0.654	82%	0.823	S	S	*	*			trans	-111.5	178.7	-168.3	-64.3	174	-81.6	0	0	113.9
16	F	25.2	Very low	27.6	Very low	172 Å²	172	148.7 Å²	148.7	75%	0.754	83%	0.833	S	S	*	*			trans	81.6	148.4	166.7	-60.7	-77.4	0	0	0	115.5
17	Q	26.4	Very low	27.2	Very low	176 Å²	176	145.2 Å²	145.2	82%	0.822	83%	0.829	S	S	*	*			cis	-151.9	163.9	13.9	-142.3	152	25	0	0	112
18	S	28.1	Very low	27.2	Very low	111 Å²	111	142.6 Å²	142.6	78%	0.776	83%	0.828	S	S	*	*			trans	-68.5	157.4	173.8	-53.4	0	0	0	0	113.4
19	L	25.3	Very low	27	Very low	175 Å²	175	146.2 Å²	146.2	92%	0.916	83%	0.827	S	S	*	*			trans	-156.8	132.9	138	-106.5	168.9	0	0	0	110.3
20	E	29.6	Very low	26.8	Very low	178 Å²	178	148.7 Å²	148.7	83%	0.832	82%	0.824	S	S	*	*			trans	-93.6	153.1	173.6	-62.7	170.1	117.5	0	0	110.3
21	S	25.6	Very low	26.7	Very low	123 Å²	123	149.2 Å²	149.2	86%	0.86	82%	0.816	S	S	*	*			trans	-157.9	147.9	159.8	-64	0	0	0	0	109.7
22	Q	27.8	Very low	26.5	Very low	183 Å²	183	151.2 Å²	151.2	86%	0.855	81%	0.81	S	S	*	*			trans	-111.3	-168.8	-166.4	-59.2	173.9	-16.8	0	0	112.5
23	S	25.9	Very low	26.2	Very low	108 Å²	108	153 Å²	153	76%	0.755	81%	0.811	S	S	*	*			trans	82.1	146.1	161.4	82.4	0	0	0	0	116.6
24	E	25.5	Very low	26.1	Very low	187 Å²	187	148.8 Å²	148.8	87%	0.874	80%	0.801	S	S	*	*			cis	-157.4	179.4	-11.6	-125.4	166.8	-165.4	0	0	111.8
25	C	22.2	Very low	25.9	Very low	116 Å²	116	148.2 Å²	148.2	78%	0.784	79%	0.793	S	S	*	*			trans	-70.6	167.9	179.8	-55.6	0	0	0	0	113.2
26	L	23.4	Very low	25.9	Very low	175 Å²	175	146.7 Å²	146.7	92%	0.916	79%	0.793	S	S	*	*				-176	139.3	125	-98.6	165.9	0	0	0	112.5
27	S	24.7	Very low	26	Very low	105 Å²	105	145.4 Å²	145.4	73%	0.734	79%	0.79	S	S	*	*			trans	-86.2	171	169.1	-47.5	0	0	0	0	111.3
28	P	30.5	Very low	26.1	Very low	130 Å²	130	143.6 Å²	143.6	84%	0.844	78%	0.783	S	S	*	*			trans	-110	126.3	150.3	10.1	10.3	0	0	0	111.7
29	E	24	Very low	26.1	Very low	180 Å²	180	144.5 Å²	144.5	84%	0.841	78%	0.775	S	S	*	*			trans	-99.1	-179.4	160.4	-85.2	-162.3	137.2	0	0	110.8
30	L	26.6	Very low	26.4	Very low	162 Å²	162	143.3 Å²	143.3	85%	0.848	77%	0.765	S	S	*	*			trans	97.3	134.6	168.9	-55.5	173.4	0	0	0	115.5
31	S	25	Very low	26.3	Very low	90 Å²	90	137.7 Å²	137.7	63%	0.629	75%	0.754	S	S	*	*			cis	-170.1	148.2	-9.1	44.5	0	0	0	0	112.8
32	F	24.5	Very low	26.3	Very low	160 Å²	160	141.1 Å²	141.1	70%	0.702	75%	0.754	S	S	*	*			trans	53.7	125.1	142.5	-81.4	-114.9	0	0	0	121.5	Q34	F32-Q34 HydrophobicContact CD1-CG 4.23Å; F32-Q34 HydrophobicContact CE1-CG 4.12Å; F32-Q34 VanDerWaalsContact CE1-OE1 3.3Å
33	L	25.9	Very low	26.2	Very low	173 Å²	173	138.8 Å²	138.8	91%	0.906	75%	0.752	S	S	*	*				-145.7	145.2	96	-107.7	171.8	0	0	0	110.9
34	Q	27	Very low	26.2	Very low	134 Å²	134	137.4 Å²	137.4	63%	0.626	76%	0.755	S	S	*	*			trans	-93.1	159.3	174.7	-65.4	167.8	-77.4	0	0	109.8	F32	F32-Q34 HydrophobicContact CD1-CG 4.23Å; F32-Q34 HydrophobicContact CE1-CG 4.12Å; F32-Q34 VanDerWaalsContact CE1-OE1 3.3Å
35	D	24.4	Very low	26.1	Very low	135 Å²	135	132.4 Å²	132.4	72%	0.722	75%	0.753	S	S	*	*				-178.6	110.7	115.9	-92.7	-9.6	0	0	0	108.2
36	T	26.5	Very low	26.4	Very low	107 Å²	107	136.6 Å²	136.6	66%	0.656	76%	0.759	S	S	*	*				72	138.1	106.3	58	0	0	0	0	113.1
37	E	27.2	Very low	27	Very low	146 Å²	146	133.5 Å²	133.5	68%	0.682	75%	0.749	S	S	*	*			cis	-160.2	146.1	21	-132	161.8	-147.9	0	0	111.3
38	M	29.3	Very low	27	Very low	138 Å²	138	134.8 Å²	134.8	68%	0.68	75%	0.752	S	S	*	*				55.6	143.4	128	-78.8	-157	-62.1	0	0	122.1
39	E	27.8	Very low	26.7	Very low	129 Å²	129	134 Å²	134	60%	0.603	75%	0.75	S	S	*	*			cis	-153.7	151	3.1	-87.4	-111.9	95.2	0	0	113
40	Q	32.1	Very low	26.8	Very low	151 Å²	151	133.5 Å²	133.5	71%	0.706	75%	0.75	S	S	*	*			trans	44.6	146.4	136.7	-57.1	-179.7	17.1	0	0	122.2
41	G	26.5	Very low	27	Very low	59 Å²	59	131.7 Å²	131.7	61%	0.608	75%	0.748	S	S	*	*			cis	-164.2	151	1.5	0	0	0	0	0	110.5
42	F	25.9	Very low	27	Very low	196 Å²	196	134.4 Å²	134.4	86%	0.86	76%	0.755	S	S	*	*				60.3	131.1	94.2	-74.9	-62.1	0	0	0	113.7
43	T	25.5	Very low	27	Very low	134 Å²	134	130 Å²	130	82%	0.822	75%	0.754	S	S	*	*			cis	-154.2	160.3	3.7	29.7	0	0	0	0	105.6
44	G	25.2	Very low	27	Very low	79 Å²	79	128.9 Å²	128.9	81%	0.814	75%	0.748	S	S	*	*			cis	130.2	140.9	23.5	0	0	0	0	0	108.9
45	G	24.8	Very low	26.9	Very low	81 Å²	81	127.3 Å²	127.3	84%	0.835	75%	0.752	S	S	*	*			trans	98.8	112.1	164.2	0	0	0	0	0	119.4
46	F	28.8	Very low	27	Very low	204 Å²	204	127.6 Å²	127.6	90%	0.895	75%	0.749	S	S	*	*			trans	-67.6	164.6	149.1	-76	-91.4	0	0	0	109.7
47	P	34.9	Very low	27.1	Very low	111 Å²	111	132.5 Å²	132.5	72%	0.721	76%	0.755	S	S	*	*			cis	-152.8	175.4	40	40.9	-17.7	0	0	0	119.9
48	V	25.1	Very low	27.1	Very low	131 Å²	131	133.5 Å²	133.5	79%	0.794	76%	0.76	S	S	*	*			trans	31.1	118.2	146.8	-172.9	0	0	0	0	120.5
49	S	24.1	Very low	27.1	Very low	115 Å²	115	135.6 Å²	135.6	80%	0.804	77%	0.768	S	S	*	*				170.1	148.3	122.6	-75.2	0	0	0	0	113
50	M	25.6	Very low	26.9	Very low	169 Å²	169	135.4 Å²	135.4	83%	0.833	77%	0.772	S	S	*	*			trans	-78.1	168.9	171.1	-70.3	-108.8	-173.7	0	0	112.2
51	P	30.5	Very low	26.8	Very low	124 Å²	124	136.6 Å²	136.6	81%	0.805	78%	0.782	S	S	*	*			trans	-123.7	146.2	130.9	35.4	-30.1	0	0	0	114
52	D	24.7	Very low	26.9	Very low	146 Å²	146	140.5 Å²	140.5	78%	0.781	78%	0.784	S	S	*	*			trans	-80.9	166.9	-174	-67.7	-79.3	0	0	0	116.3	I54	D52-I54 HydrophobicContact CB-CD1 4.29Å
53	G	25.9	Very low	26.9	Very low	67 Å²	67	138.3 Å²	138.3	69%	0.691	79%	0.787	S	S	*	*			trans	151.9	78.4	169.7	0	0	0	0	0	112.2
54	I	24.8	Very low	26.9	Very low	150 Å²	150	140.1 Å²	140.1	77%	0.769	78%	0.783	S	S	*	*				51.6	117.4	63.6	-54.1	179.1	0	0	0	110.2	D52	D52-I54 HydrophobicContact CB-CD1 4.29Å
55	S	24.9	Very low	27	Very low	102 Å²	102	143 Å²	143	71%	0.713	78%	0.78	S	S	*	*			cis	-163.5	-178	-2.9	-147.8	0	0	0	0	107.8
56	Q	27.8	Very low	27.1	Very low	141 Å²	141	147.2 Å²	147.2	66%	0.659	78%	0.783	S	S	*	*			cis	-159	176.5	5.8	-160	-179	60	0	0	109
57	R	27.1	Very low	27	Very low	209 Å²	209	145.8 Å²	145.8	79%	0.789	78%	0.779	S	S	*	*			trans	73.7	99.4	167.6	-60.4	-177.4	-179.2	-176.6	-2.8	114.5
58	E	27.6	Very low	26.7	Very low	168 Å²	168	147 Å²	147	79%	0.785	78%	0.784	S	S	*	*				57.3	104.4	50.6	-48.6	-176.6	124.5	0	0	113.9
59	Q	29	Very low	27	Very low	181 Å²	181	150.1 Å²	150.1	85%	0.846	79%	0.787	S	S	*	*				-165.4	125.5	122.7	-103.9	162.5	18.7	0	0	111.6
60	D	24.8	Very low	27.1	Very low	126 Å²	126	152.4 Å²	152.4	67%	0.674	79%	0.79	S	S	*	*			trans	51.9	110.3	146.3	-52.4	-30.4	0	0	0	121.8
61	L	28.9	Very low	27.1	Very low	176 Å²	176	155.5 Å²	155.5	92%	0.921	79%	0.793	S	S	*	*				-147.7	77.5	126	-109.3	172.2	0	0	0	110.1
62	Q	28	Very low	26.8	Very low	141 Å²	141	158 Å²	158	66%	0.659	79%	0.794	S	S	*	*			trans	-66.4	132.2	165.9	-68.9	-178.3	1.3	0	0	109.5	F64	Q62-F64 HydrophobicContact CB-CD2 4.48Å; Q62-F64 PolarHBondContact O-N 3.28Å
63	V	27.8	Very low	26.9	Very low	150 Å²	150	156.2 Å²	156.2	91%	0.909	79%	0.788	S	S	*	*			trans	-72.4	98.1	169.2	177.3	0	0	0	0	107.7	D65	V63-D65 PolarHBondContact O-N 3.2Å
64	F	23.9	Very low	26.8	Very low	171 Å²	171	159.5 Å²	159.5	75%	0.75	79%	0.788	S	S	*	*			trans	-76.3	123.1	179.8	-118.6	-87.2	0	0	0	111.6	Q62	Q62-F64 HydrophobicContact CB-CD2 4.48Å; Q62-F64 PolarHBondContact O-N 3.28Å
65	D	27.7	Very low	26.9	Very low	141 Å²	141	162.4 Å²	162.4	75%	0.754	79%	0.789	S	S	*	*			trans	-63.5	129.9	170.7	-125.9	-30.5	0	0	0	110.7	V63	V63-D65 PolarHBondContact O-N 3.2Å
66	L	26.2	Very low	26.9	Very low	169 Å²	169	163.8 Å²	163.8	89%	0.885	79%	0.789	S	S	*	*			trans	-138.9	36.4	171.1	-93.4	176.8	0	0	0	112.7
67	E	28.5	Very low	26.8	Very low	173 Å²	173	164.6 Å²	164.6	81%	0.808	80%	0.798	S	S	*	*			trans	-103.3	80.8	161.4	-73.7	-158.7	154	0	0	111.7
68	T	28	Very low	26.7	Very low	137 Å²	137	160.2 Å²	160.2	84%	0.84	80%	0.798	S	S	*	*			trans	-179.6	106.1	141.5	21.9	0	0	0	0	113.1
69	K	31.2	Very low	26.6	Very low	197 Å²	197	157 Å²	157	86%	0.857	79%	0.794	S	S	*	*			trans	160.4	92.7	134.2	-90.8	168.1	-179.4	174.7	0	110.3
70	N	25.3	Very low	26.4	Very low	163 Å²	163	155.8 Å²	155.8	87%	0.872	79%	0.793	S	S	*	*			trans	-174.1	85.2	138.5	-94.9	-19	0	0	0	108.7
71	R	26.2	Very low	26.5	Very low	234 Å²	234	153.1 Å²	153.1	88%	0.883	80%	0.795	S	S	*	*			trans	-130.3	77.3	162.7	-167.6	-179.7	-172.1	-158.8	-0.1	108.1
72	E	25.2	Very low	26.5	Very low	176 Å²	176	153.7 Å²	153.7	82%	0.822	79%	0.793	S	S	*	*			trans	-58.1	138.3	159.4	-71	-177.2	143.2	0	0	108.6
73	V	26.1	Very low	26.4	Very low	109 Å²	109	154.2 Å²	154.2	66%	0.661	81%	0.806	S	S	*	*			trans	-98.7	96.6	-177.1	175.8	0	0	0	0	107.3	R75	V73-R75 HydrophobicContact CG1-CG 4.37Å
74	I	24.4	Very low	26.8	Very low	135 Å²	135	157.5 Å²	157.5	69%	0.692	80%	0.802	S	S	*	*			trans	-87.7	115.8	157.6	-60.7	-177.6	0	0	0	107	D76	I74-D76 WeakPolarHBondContact CG2-OD1 3.5Å; I74-D76 WeakPolarHBondContact CG2-OD2 3.46Å
75	R	26.8	Very low	27	Very low	211 Å²	211	158.3 Å²	158.3	80%	0.796	81%	0.808	S	S	*	*			trans	-96.2	115.3	163.2	-94.2	-179.1	-76.9	-176	-4.1	105.9	V73	V73-R75 HydrophobicContact CG1-CG 4.37Å
76	D	24.9	Very low	27.2	Very low	132 Å²	132	158.8 Å²	158.8	71%	0.706	81%	0.806	S	S	*	*			trans	-106.6	95.4	165.9	-63.8	-38.1	0	0	0	108.4	I74	I74-D76 WeakPolarHBondContact CG2-OD1 3.5Å; I74-D76 WeakPolarHBondContact CG2-OD2 3.46Å
77	D	24.6	Very low	27.2	Very low	158 Å²	158	158.2 Å²	158.2	85%	0.845	80%	0.804	S	S	*	*			trans	-94.5	119.2	149.4	-77.6	-54.7	0	0	0	105.6
78	C	25.5	Very low	27.4	Very low	117 Å²	117	157.6 Å²	157.6	79%	0.791	80%	0.798	S	S	*	*			trans	-103.5	115.1	179.7	-65.2	0	0	0	0	111.6
79	S	25.2	Very low	27.6	Very low	100 Å²	100	159 Å²	159	70%	0.699	80%	0.8	S	S	*	*			trans	-178.7	124.6	154.1	-89	0	0	0	0	106.1
80	D	25.2	Very low	27.9	Very low	156 Å²	156	155.5 Å²	155.5	83%	0.834	79%	0.79	S	S	*	*			cis	-152.3	169.6	-2.6	-69.9	-56.3	0	0	0	107.9
81	G	26.5	Very low	28.5	Very low	69 Å²	69	152.1 Å²	152.1	71%	0.711	77%	0.771	S	S	*	*			trans	103.7	105	159.1	0	0	0	0	0	118.1
82	E	29.3	Very low	29	Very low	189 Å²	189	144.5 Å²	144.5	88%	0.883	75%	0.752	S	S	*	*			trans	39.4	103.6	141.1	-55.9	-175.8	151.7	0	0	120.4
83	T	25.1	Very low	29.5	Very low	152 Å²	152	142.7 Å²	142.7	93%	0.933	74%	0.741	S	S	*	*				-179.2	164.2	101.9	29.7	0	0	0	0	111.3
84	R	36.9	Very low	30.1	Very low	219 Å²	219	147.2 Å²	147.2	83%	0.826	75%	0.746	S	S	*	*			trans	-108.4	110.4	-167.7	170.9	-171.9	175.3	172.1	-1.4	111
85	E	28.3	Very low	31.1	Very low	188 Å²	188	146.1 Å²	146.1	88%	0.879	74%	0.737	S	S	*	*			trans	-137.3	142.4	160.8	-76.7	-157.7	141.3	0	0	112.4	N87	E85-N87 PolarHBondContact O-N 3.25Å
86	E	31.2	Very low	31.9	Very low	150 Å²	150	137.2 Å²	137.2	70%	0.701	71%	0.705	S	S	*	*			trans	-90.6	97.6	-172.5	-64.7	-179.5	173.3	0	0	111.9	K88	E86-K88 PolarHBondContact O-N 2.9Å
87	N	26	Very low	32.6	Very low	158 Å²	158	135 Å²	135	85%	0.845	70%	0.699	S	S	*	*			trans	-76.8	89.9	173.4	-108.1	-58.8	0	0	0	112	E85 L89	E85-N87 PolarHBondContact O-N 3.25Å; N87-L89 PolarHBondContact O-N 3.13Å
88	K	33.3	Very low	33.7	Very low	159 Å²	159	133.1 Å²	133.1	69%	0.691	69%	0.686	S	S	*	*			trans	-69.9	105.6	169.7	-74.8	-179.4	-179.6	173.6	0	110.9	E86 L90	E86-K88 PolarHBondContact O-N 2.9Å; K88-L90 PolarHBondContact O-N 3.3Å
89	L	33	Very low	34.5	Very low	167 Å²	167	131.5 Å²	131.5	87%	0.874	67%	0.666	S	S	*	*			trans	-70.1	89.4	174.5	-89.4	155.7	0	0	0	112.2	N87 I91	N87-L89 PolarHBondContact O-N 3.13Å; L89-I91 PolarHBondContact O-N 3.29Å
90	L	37.2	Very low	35.3	Very low	123 Å²	123	129 Å²	129	64%	0.644	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-62.2	122.4	167.3	-92.7	83.7	0	0	0	110.7	K88 P92	K88-L90 PolarHBondContact O-N 3.3Å; L90-P92 WeakPolarHBondContact O-CD 3.46Å
91	I	37	Very low	36.2	Very low	93 Å²	93	127.7 Å²	127.7	48%	0.477	64%	0.635	S	S	.	*	P	Polyproline II helix	trans	-83.2	119.6	171.7	-60.5	177.7	0	0	0	108.7	L89 K93 K95	L89-I91 PolarHBondContact O-N 3.29Å; I91-K93 PolarHBondContact O-N 2.99Å; I91-K95 HydrophobicContact CG2-CB 4.17Å; I91-K95 HydrophobicContact CG2-CD 4.14Å
92	P	37.7	Very low	37.1	Very low	73 Å²	73	126.9 Å²	126.9	47%	0.474	62%	0.619	S	S	.	*	P	Polyproline II helix	trans	-64.5	136.1	-177.2	-24.3	34.8	0	0	0	113	L90 R94 K95	L90-P92 WeakPolarHBondContact O-CD 3.46Å; P92-R94 PolarHBondContact O-N 3.21Å; P92-K95 PolarHBondContact O-N 3.01Å
93	K	36.3	Very low	37.8	Very low	139 Å²	139	120.1 Å²	120.1	60%	0.604	59%	0.585	S	S	*	*	H	α-helix	trans	-45.9	-30.9	-179.2	-66.9	178.2	-176.7	171.9	0	115.1	I91 I96 S97 F157	I91-K93 PolarHBondContact O-N 2.99Å; K93-I96 PolarHBondContact O-N 2.84Å; K93-S97 PolarHBondContact O-N 2.79Å; K93-F157 HydrophobicContact CD-CE1 4.25Å; K93-F157 HydrophobicContact CD-CZ 3.97Å; K93-F157 VanDerWaalsContact CE-CE1 3.47Å; K93-F157 HydrophobicContact CG-CE1 4Å; K93-F157 HydrophobicContact CG-CE2 3.88Å; K93-F157 HydrophobicContact CG-CZ 3.47Å; K93-F157 VanDerWaalsContact CG-CZ 3.47Å
94	R	37.1	Very low	38.6	Very low	203 Å²	203	119.6 Å²	119.6	77%	0.766	57%	0.57	S	S	*	*	H	α-helix	trans	-60	-42.6	177.9	-68.4	-174.3	-179.3	175	0.6	112.3	P92 I96 S97 E98	P92-R94 PolarHBondContact O-N 3.21Å; R94-I96 PolarHBondContact O-N 2.18Å; R94-S97 WeakPolarHBondContact O-CB 3.17Å; R94-S97 PolarHBondContact O-N 3.3Å; R94-S97 VanDerWaalsContact O-N 3.12Å; R94-E98 WeakPolarHBondContact O-CG 3.31Å; R94-E98 PolarHBondContact O-N 2.88Å
95	K	47.1	Very low	39.1	Very low	112 Å²	112	112.3 Å²	112.3	49%	0.487	55%	0.55	S	S	.	.	H	α-helix	trans	-60.7	-41.7	-179.9	-66.8	-172.9	177	178.7	0	112.6	I91 P92 S97 E98 E99	I91-K95 HydrophobicContact CG2-CB 4.17Å; I91-K95 HydrophobicContact CG2-CD 4.14Å; P92-K95 PolarHBondContact O-N 3.01Å; K95-S97 VanDerWaalsContact C-N 3.31Å; K95-S97 PolarHBondContact O-N 3.13Å; K95-E98 PolarHBondContact O-N 2.76Å; K95-E99 WeakPolarHBondContact O-CB 3.31Å; K95-E99 WeakPolarHBondContact O-CG 3.32Å; K95-E99 PolarHBondContact O-N 3.22Å
96	I	42.4	Very low	40	Very low	25 Å²	25	107.3 Å²	107.3	13%	0.128	52%	0.523	C	S	.	.	H	α-helix	trans	-65.6	-36.1	178.6	-59.2	174.2	0	0	0	110.9	K93 R94 V100 F157	K93-I96 PolarHBondContact O-N 2.84Å; R94-I96 PolarHBondContact O-N 2.18Å; I96-V100 WeakPolarHBondContact O-CB 3.44Å; I96-V100 VanDerWaalsContact O-CG2 3.27Å; I96-V100 WeakPolarHBondContact O-CG2 3.44Å; I96-V100 PolarHBondContact O-N 3.25Å; I96-F157 HydrophobicContact CD1-CB 4.4Å; I96-F157 HydrophobicContact CD1-CD2 4.31Å; I96-F157 HydrophobicContact CD1-CG 4.47Å
97	S	39.4	Very low	40.6	Very low	84 Å²	84	101.8 Å²	101.8	59%	0.587	50%	0.5	S	S	*	.	H	α-helix	trans	-66.6	-42.8	175.4	-161.5	0	0	0	0	112	K93 R94 K95 V100 H101	K93-S97 PolarHBondContact O-N 2.79Å; R94-S97 WeakPolarHBondContact O-CB 3.17Å; R94-S97 PolarHBondContact O-N 3.3Å; R94-S97 VanDerWaalsContact O-N 3.12Å; K95-S97 VanDerWaalsContact C-N 3.31Å; K95-S97 PolarHBondContact O-N 3.13Å; S97-V100 PolarHBondContact O-N 3.45Å; S97-H101 PolarHBondContact O-N 3.45Å
98	E	47.7	Very low	41.3	Very low	120 Å²	120	95.9 Å²	95.9	56%	0.561	48%	0.476	S	S	*	.	H	α-helix	trans	-64	-42.1	176.3	-69.3	155.9	-159.3	0	0	111.8	R94 K95 H101 S102	R94-E98 WeakPolarHBondContact O-CG 3.31Å; R94-E98 PolarHBondContact O-N 2.88Å; K95-E98 PolarHBondContact O-N 2.76Å; E98-H101 PolarHBondContact O-N 3.27Å; E98-S102 WeakPolarHBondContact O-CB 3.49Å; E98-S102 PolarHBondContact O-N 2.81Å
99	E	42.7	Very low	42.1	Very low	82 Å²	82	94.4 Å²	94.4	38%	0.383	47%	0.469	S	S	.	.	H	α-helix	trans	-62.3	-44.2	173.8	-75.4	173.3	-171.5	0	0	112.3	K95 H101 S102 Y103 I150	K95-E99 WeakPolarHBondContact O-CB 3.31Å; K95-E99 WeakPolarHBondContact O-CG 3.32Å; K95-E99 PolarHBondContact O-N 3.22Å; E99-H101 PolarHBondContact O-N 3.07Å; E99-S102 PolarHBondContact O-N 3.01Å; E99-Y103 WeakPolarHBondContact O-CB 3.43Å; E99-Y103 PolarHBondContact O-N 3.05Å; E99-I150 HydrophobicContact CB-CD1 4.41Å; E99-I150 HydrophobicContact CB-CG1 4.33Å
100	V	42.6	Very low	42.7	Very low	49 Å²	49	87.9 Å²	87.9	30%	0.297	43%	0.434	S	S	.	.	H	α-helix	trans	-62.5	-40.9	175.1	168.3	0	0	0	0	111.5	I96 S97 Y103 K104 I150	I96-V100 WeakPolarHBondContact O-CB 3.44Å; I96-V100 VanDerWaalsContact O-CG2 3.27Å; I96-V100 WeakPolarHBondContact O-CG2 3.44Å; I96-V100 PolarHBondContact O-N 3.25Å; S97-V100 PolarHBondContact O-N 3.45Å; V100-Y103 PolarHBondContact O-N 2.85Å; V100-K104 HydrophobicContact CG1-CD 4.43Å; V100-K104 WeakPolarHBondContact O-CG 3.5Å; V100-K104 PolarHBondContact O-N 3.2Å; V100-I150 HydrophobicContact CG2-CG2 3.53Å
101	H	43	Very low	43	Very low	128 Å²	128	88.6 Å²	88.6	59%	0.593	43%	0.432	S	S	*	.	H	α-helix	trans	-66	-46.8	176.7	-172.4	87.1	0	0	0	111.4	S97 E98 E99 Y103 K104 V105	S97-H101 PolarHBondContact O-N 3.45Å; E98-H101 PolarHBondContact O-N 3.27Å; E99-H101 PolarHBondContact O-N 3.07Å; H101-Y103 VanDerWaalsContact C-N 3.31Å; H101-Y103 PolarHBondContact O-N 3.14Å; H101-K104 PolarHBondContact O-N 3.37Å; H101-V105 WeakPolarHBondContact O-CG2 3.35Å; H101-V105 PolarHBondContact O-N 2.81Å
102	S	46.4	Very low	43.7	Very low	52 Å²	52	90.3 Å²	90.3	36%	0.364	44%	0.438	S	S	.	.	H	α-helix	trans	-57.5	-40	174.5	171.5	0	0	0	0	113	E98 E99 R106	E98-S102 WeakPolarHBondContact O-CB 3.49Å; E98-S102 PolarHBondContact O-N 2.81Å; E99-S102 PolarHBondContact O-N 3.01Å; S102-R106 PolarHBondContact O-N 2.94Å; S102-R106 VanDerWaalsContact O-N 3.15Å; S102-R106 PolarHBondContact O-NE 3.22Å; S102-R106 PolarHBondContact OG-NE 2.85Å; S102-R106 PolarHBondContact OG-NH2 2.79Å
103	Y	42.4	Very low	44.2	Very low	46 Å²	46	91.8 Å²	91.8	18%	0.18	44%	0.442	C	S	.	.	H	α-helix	trans	-64.3	-48.8	174.1	174.7	-101.6	0	0	0	111.8	E99 V100 H101 V105 R106 V107 L143 E146 F147 I150	E99-Y103 WeakPolarHBondContact O-CB 3.43Å; E99-Y103 PolarHBondContact O-N 3.05Å; V100-Y103 PolarHBondContact O-N 2.85Å; H101-Y103 VanDerWaalsContact C-N 3.31Å; H101-Y103 PolarHBondContact O-N 3.14Å; Y103-V105 VanDerWaalsContact C-N 3.33Å; Y103-V105 PolarHBondContact O-N 3.11Å; Y103-R106 PolarHBondContact O-N 3.16Å; Y103-R106 VanDerWaalsContact O-N 3.15Å; Y103-V107 HydrophobicContact CD1-CG2 4.28Å; Y103-V107 HydrophobicContact CD2-CG2 4.24Å; Y103-V107 HydrophobicContact CE1-CG2 3.81Å; Y103-V107 HydrophobicContact CE2-CG2 3.74Å; Y103-V107 HydrophobicContact CG-CG2 4.48Å; Y103-V107 VanDerWaalsContact CZ-CG2 3.5Å; Y103-V107 WeakPolarHBondContact O-CG2 3.48Å; Y103-V107 PolarHBondContact O-N 3.45Å; Y103-L143 HydrophobicContact CE2-CB 4.39Å; Y103-L143 HydrophobicContact CE2-CD2 4.26Å; Y103-L143 WeakPolarHBondContact CE2-O 3.43Å; Y103-E146 HydrophobicContact CD2-CB 4.14Å; Y103-E146 HydrophobicContact CE2-CB 4.42Å; Y103-F147 HydrophobicContact CD1-CD2 4.36Å; Y103-F147 HydrophobicContact CE1-CB 4.46Å; Y103-F147 AromaticContact CE1-CD2 3.6Å; Y103-F147 HydrophobicContact CE1-CD2 3.6Å; Y103-F147 HydrophobicContact CE1-CE2 4.33Å; Y103-F147 HydrophobicContact CE1-CG 4.43Å; Y103-F147 HydrophobicContact CE2-CB 3.91Å; Y103-F147 AromaticContact CZ-CD2 3.7Å; Y103-I150 HydrophobicContact CD2-CD1 4.37Å; Y103-I150 HydrophobicContact CG-CD1 4.02Å
104	K	42.1	Very low	44.7	Very low	142 Å²	142	89.1 Å²	89.1	62%	0.617	43%	0.433	S	S	*	.	H	α-helix	trans	-57.2	-43.5	177.7	-75	177.8	177.7	-174.2	0	112.3	V100 H101 V107 G108	V100-K104 HydrophobicContact CG1-CD 4.43Å; V100-K104 WeakPolarHBondContact O-CG 3.5Å; V100-K104 PolarHBondContact O-N 3.2Å; H101-K104 PolarHBondContact O-N 3.37Å; K104-V107 PolarHBondContact O-N 2.83Å; K104-G108 PolarHBondContact O-N 3.27Å
105	V	48.2	Very low	45.1	Very low	65 Å²	65	85.3 Å²	85.3	39%	0.394	43%	0.432	S	S	.	.	H	α-helix	trans	-63.4	-41.4	176.9	173.2	0	0	0	0	111.8	H101 Y103 G108 K109	H101-V105 WeakPolarHBondContact O-CG2 3.35Å; H101-V105 PolarHBondContact O-N 2.81Å; Y103-V105 VanDerWaalsContact C-N 3.33Å; Y103-V105 PolarHBondContact O-N 3.11Å; V105-G108 PolarHBondContact O-N 2.99Å; V105-K109 PolarHBondContact O-N 3.48Å; V105-K109 VanDerWaalsContact O-N 3.11Å
106	R	46.9	Very low	44.8	Very low	83 Å²	83	87.5 Å²	87.5	31%	0.313	44%	0.444	S	S	.	.	H	α-helix	trans	-67.5	-39.6	176.9	-78.5	-179	-77.1	157	-2.2	112.9	S102 Y103 K109 F110 L143 E146	S102-R106 PolarHBondContact O-N 2.94Å; S102-R106 VanDerWaalsContact O-N 3.15Å; S102-R106 PolarHBondContact O-NE 3.22Å; S102-R106 PolarHBondContact OG-NE 2.85Å; S102-R106 PolarHBondContact OG-NH2 2.79Å; Y103-R106 PolarHBondContact O-N 3.16Å; Y103-R106 VanDerWaalsContact O-N 3.15Å; R106-K109 PolarHBondContact O-N 2.98Å; R106-F110 WeakPolarHBondContact O-CB 3.35Å; R106-F110 PolarHBondContact O-N 3.31Å; R106-L143 HydrophobicContact CB-CD2 4.23Å; R106-E146 IonicContact CZ-OE2 3.28Å; R106-E146 VanDerWaalsContact CZ-OE2 3.28Å; R106-E146 IonicContact NH1-OE2 2.69Å; R106-E146 PolarHBondContact NH1-OE2 2.67Å; R106-E146 IonicContact NH2-OE2 2.95Å; R106-E146 PolarHBondContact NH2-OE2 3.21Å
107	V	43.8	Very low	44.8	Very low	35 Å²	35	90.2 Å²	90.2	21%	0.212	46%	0.462	C	S	.	.	H	α-helix	trans	-64.4	-40.4	174	173.2	0	0	0	0	111.4	Y103 K104 F110 K111 L143	Y103-V107 HydrophobicContact CD1-CG2 4.28Å; Y103-V107 HydrophobicContact CD2-CG2 4.24Å; Y103-V107 HydrophobicContact CE1-CG2 3.81Å; Y103-V107 HydrophobicContact CE2-CG2 3.74Å; Y103-V107 HydrophobicContact CG-CG2 4.48Å; Y103-V107 VanDerWaalsContact CZ-CG2 3.5Å; Y103-V107 WeakPolarHBondContact O-CG2 3.48Å; Y103-V107 PolarHBondContact O-N 3.45Å; K104-V107 PolarHBondContact O-N 2.83Å; V107-F110 PolarHBondContact O-N 3.47Å; V107-K111 PolarHBondContact O-N 3.13Å; V107-L143 HydrophobicContact CG2-CD1 4.42Å; V107-L143 HydrophobicContact CG2-CD2 4.21Å
108	G	40.2	Very low	44.6	Very low	33 Å²	33	90.2 Å²	90.2	34%	0.34	46%	0.46	S	S	.	.	H	α-helix	trans	-58.7	-49	174.7	0	0	0	0	0	112.7	K104 V105 F110 K111 Q112	K104-G108 PolarHBondContact O-N 3.27Å; V105-G108 PolarHBondContact O-N 2.99Å; G108-F110 VanDerWaalsContact C-N 3.33Å; G108-F110 PolarHBondContact O-N 3.45Å; G108-K111 PolarHBondContact O-N 2.99Å; G108-Q112 PolarHBondContact O-N 2.98Å
109	K	51.6	Low	44.3	Very low	128 Å²	128	94 Å²	94	56%	0.557	48%	0.478	S	S	*	.	H	α-helix	trans	-62.7	-36.9	175.7	-69.6	-178.3	179.5	-173.9	0	112.7	V105 R106 Q112 N113	V105-K109 PolarHBondContact O-N 3.48Å; V105-K109 VanDerWaalsContact O-N 3.11Å; R106-K109 PolarHBondContact O-N 2.98Å; K109-Q112 PolarHBondContact O-N 3.09Å; K109-N113 VanDerWaalsContact O-CG 3.27Å; K109-N113 PolarHBondContact O-N 2.97Å; K109-N113 VanDerWaalsContact O-N 3.1Å; K109-N113 PolarHBondContact O-ND2 2.56Å; K109-N113 VanDerWaalsContact O-ND2 3.13Å
110	F	44.2	Very low	44	Very low	30 Å²	30	95.2 Å²	95.2	13%	0.132	49%	0.491	C	S	.	.	H	α-helix	trans	-64.3	-42.7	175.2	-177	-115.7	0	0	0	112	R106 V107 G108 N113 I114 I136 K139 F140 L143	R106-F110 WeakPolarHBondContact O-CB 3.35Å; R106-F110 PolarHBondContact O-N 3.31Å; V107-F110 PolarHBondContact O-N 3.47Å; G108-F110 VanDerWaalsContact C-N 3.33Å; G108-F110 PolarHBondContact O-N 3.45Å; F110-N113 PolarHBondContact O-N 3.16Å; F110-I114 HydrophobicContact CD1-CD1 3.97Å; F110-I114 HydrophobicContact CE1-CD1 3.65Å; F110-I114 HydrophobicContact CE2-CD1 4.37Å; F110-I114 HydrophobicContact CG-CD1 4.48Å; F110-I114 HydrophobicContact CZ-CD1 3.87Å; F110-I114 WeakPolarHBondContact O-CG1 3.45Å; F110-I114 PolarHBondContact O-N 3.16Å; F110-I136 HydrophobicContact CZ-CG2 4.1Å; F110-K139 HydrophobicContact CD2-CB 4.07Å; F110-K139 HydrophobicContact CE2-CB 3.48Å; F110-K139 VanDerWaalsContact CE2-CB 3.48Å; F110-K139 HydrophobicContact CE2-CD 4.2Å; F110-K139 HydrophobicContact CE2-CG 4.44Å; F110-K139 HydrophobicContact CZ-CB 4.16Å; F110-F140 HydrophobicContact CE1-CD2 4.49Å; F110-F140 HydrophobicContact CZ-CB 4.34Å; F110-L143 HydrophobicContact CB-CD1 3.92Å; F110-L143 HydrophobicContact CD1-CD1 3.69Å; F110-L143 HydrophobicContact CD2-CD1 4.4Å; F110-L143 HydrophobicContact CE1-CD1 4.27Å; F110-L143 HydrophobicContact CG-CD1 3.75Å
111	K	44.3	Very low	43.9	Very low	139 Å²	139	104.7 Å²	104.7	60%	0.604	52%	0.521	S	S	*	.	H	α-helix	trans	-62.4	-44.3	174.5	-72.4	-173.9	174.6	-168.2	0	112.5	V107 G108 N113 I114 V115	V107-K111 PolarHBondContact O-N 3.13Å; G108-K111 PolarHBondContact O-N 2.99Å; K111-N113 VanDerWaalsContact C-N 3.31Å; K111-N113 PolarHBondContact O-N 3.15Å; K111-I114 PolarHBondContact O-N 2.91Å; K111-I114 VanDerWaalsContact O-N 3.12Å; K111-V115 WeakPolarHBondContact O-CG2 3.36Å; K111-V115 PolarHBondContact O-N 3.07Å; K111-V115 VanDerWaalsContact O-N 3.14Å
112	Q	51.8	Low	43.9	Very low	129 Å²	129	107.4 Å²	107.4	60%	0.603	53%	0.534	S	S	*	.	H	α-helix	trans	-59.2	-40.8	176.1	-74.4	176.4	-31.8	0	0	112.4	G108 K109 I114 V115 Q116	G108-Q112 PolarHBondContact O-N 2.98Å; K109-Q112 PolarHBondContact O-N 3.09Å; Q112-I114 VanDerWaalsContact C-N 3.27Å; Q112-I114 PolarHBondContact O-N 3.24Å; Q112-V115 PolarHBondContact O-N 3.2Å; Q112-Q116 PolarHBondContact O-N 3.37Å; Q112-Q116 VanDerWaalsContact O-N 3.16Å
113	N	48.6	Very low	43.8	Very low	104 Å²	104	109.6 Å²	109.6	56%	0.556	55%	0.545	S	S	*	.	H	α-helix	trans	-69.3	-19.9	177.3	-69.5	-29.8	0	0	0	114.2	K109 F110 K111	K109-N113 VanDerWaalsContact O-CG 3.27Å; K109-N113 PolarHBondContact O-N 2.97Å; K109-N113 VanDerWaalsContact O-N 3.1Å; K109-N113 PolarHBondContact O-ND2 2.56Å; K109-N113 VanDerWaalsContact O-ND2 3.13Å; F110-N113 PolarHBondContact O-N 3.16Å; K111-N113 VanDerWaalsContact C-N 3.31Å; K111-N113 PolarHBondContact O-N 3.15Å
114	I	46.8	Very low	43.6	Very low	82 Å²	82	113.1 Å²	113.1	42%	0.421	56%	0.559	S	S	.	*	H	α-helix	trans	-80.6	-40.1	172.6	-68.2	166	0	0	0	110.2	F110 K111 Q112 Q116 V117	F110-I114 HydrophobicContact CD1-CD1 3.97Å; F110-I114 HydrophobicContact CE1-CD1 3.65Å; F110-I114 HydrophobicContact CE2-CD1 4.37Å; F110-I114 HydrophobicContact CG-CD1 4.48Å; F110-I114 HydrophobicContact CZ-CD1 3.87Å; F110-I114 WeakPolarHBondContact O-CG1 3.45Å; F110-I114 PolarHBondContact O-N 3.16Å; K111-I114 PolarHBondContact O-N 2.91Å; K111-I114 VanDerWaalsContact O-N 3.12Å; Q112-I114 VanDerWaalsContact C-N 3.27Å; Q112-I114 PolarHBondContact O-N 3.24Å; I114-Q116 VanDerWaalsContact C-N 3.29Å; I114-Q116 PolarHBondContact O-N 2.96Å; I114-V117 WeakPolarHBondContact O-CG2 3.34Å; I114-V117 PolarHBondContact O-N 3.15Å
115	V	44.6	Very low	43.5	Very low	124 Å²	124	115.4 Å²	115.4	75%	0.752	57%	0.569	S	S	*	*	H	α-helix	trans	-70.3	-22.6	-179.6	175.5	0	0	0	0	112.9	K111 Q112 V117	K111-V115 WeakPolarHBondContact O-CG2 3.36Å; K111-V115 PolarHBondContact O-N 3.07Å; K111-V115 VanDerWaalsContact O-N 3.14Å; Q112-V115 PolarHBondContact O-N 3.2Å; V115-V117 VanDerWaalsContact C-N 3.28Å; V115-V117 PolarHBondContact O-N 3.11Å
116	Q	41.2	Very low	43.5	Very low	157 Å²	157	117.1 Å²	117.1	73%	0.734	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.3	4.2	174.8	-72.9	-171.8	-8.4	0	0	114.8	Q112 I114 P118	Q112-Q116 PolarHBondContact O-N 3.37Å; Q112-Q116 VanDerWaalsContact O-N 3.16Å; I114-Q116 VanDerWaalsContact C-N 3.29Å; I114-Q116 PolarHBondContact O-N 2.96Å; Q116-P118 WeakPolarHBondContact O-CD 3.28Å
117	V	42.3	Very low	43.3	Very low	83 Å²	83	121.2 Å²	121.2	50%	0.503	61%	0.606	S	S	.	*	S	Bend	trans	-77	119.6	171	-179.1	0	0	0	0	108.4	I114 V115 E119	I114-V117 WeakPolarHBondContact O-CG2 3.34Å; I114-V117 PolarHBondContact O-N 3.15Å; V115-V117 VanDerWaalsContact C-N 3.28Å; V115-V117 PolarHBondContact O-N 3.11Å; V117-E119 PolarHBondContact O-N 3.25Å
118	P	35.7	Very low	43.4	Very low	84 Å²	84	122.3 Å²	122.3	55%	0.545	61%	0.611	S	S	.	*			trans	-63.2	128.8	-179.4	-21.3	33.2	0	0	0	111.4	Q116 T120	Q116-P118 WeakPolarHBondContact O-CD 3.28Å; P118-T120 PolarHBondContact O-N 3.44Å
119	E	41.2	Very low	43.5	Very low	199 Å²	199	128.5 Å²	128.5	93%	0.93	62%	0.624	S	S	*	*			trans	-75.9	4.1	176.3	-66.2	-173.8	136.3	0	0	113.4	V117 R121	V117-E119 PolarHBondContact O-N 3.25Å; E119-R121 PolarHBondContact O-N 3.22Å
120	T	35.8	Very low	43.1	Very low	108 Å²	108	127.4 Å²	127.4	66%	0.663	62%	0.624	S	S	*	*			trans	-72.4	117.5	-178.8	46.6	0	0	0	0	111.4	P118 E122	P118-T120 PolarHBondContact O-N 3.44Å; T120-E122 PolarHBondContact O-N 2.85Å
121	R	41.3	Very low	43.3	Very low	248 Å²	248	132.7 Å²	132.7	94%	0.936	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.5	6	-164	-152.2	175.1	-175.8	176.7	1.1	116.3	E119	E119-R121 PolarHBondContact O-N 3.22Å
122	E	43.6	Very low	43.4	Very low	185 Å²	185	131.4 Å²	131.4	86%	0.864	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-133.3	37.4	-166.3	-63.2	-160.1	153.9	0	0	115.3	T120	T120-E122 PolarHBondContact O-N 2.85Å
123	V	43	Very low	43.2	Very low	97 Å²	97	129.6 Å²	129.6	59%	0.588	63%	0.634	S	S	*	*			trans	-136.5	158.9	160	-167.1	0	0	0	0	109.3
124	Y	38.7	Very low	43.1	Very low	121 Å²	121	128.2 Å²	128.2	48%	0.475	62%	0.624	S	S	.	*			trans	86.8	103.9	174.5	-47.1	-66.3	0	0	0	116.8	D128	Y124-D128 WeakPolarHBondContact CD1-OD2 3.49Å
125	K	39.4	Very low	43.1	Very low	190 Å²	190	127.9 Å²	127.9	83%	0.826	62%	0.621	S	S	*	*			trans	-69.2	160.9	168.2	-64.9	178.9	178.3	179.7	0	110.9	E127 D128	K125-E127 PolarHBondContact O-N 3.23Å; K125-D128 PolarHBondContact O-N 3.42Å
126	S	49.7	Very low	43.4	Very low	100 Å²	100	125.2 Å²	125.2	70%	0.699	60%	0.602	S	S	*	*	H	α-helix	trans	-63.4	-25.5	-156.1	39.8	0	0	0	0	118.1
127	E	42.5	Very low	43.6	Very low	169 Å²	169	122.5 Å²	122.5	79%	0.79	59%	0.592	S	S	*	*	H	α-helix	trans	-74.6	-38.9	-178.5	-70.2	179.9	126.1	0	0	113.2	K125 R129 L130 E131	K125-E127 PolarHBondContact O-N 3.23Å; E127-R129 PolarHBondContact O-N 3.37Å; E127-L130 PolarHBondContact O-N 3.37Å; E127-E131 PolarHBondContact O-N 2.81Å
128	D	44.8	Very low	44	Very low	58 Å²	58	125.1 Å²	125.1	31%	0.31	59%	0.593	S	S	.	*	H	α-helix	trans	-65.3	-25.6	-179.7	-163.2	8.7	0	0	0	111.4	Y124 K125 R132	Y124-D128 WeakPolarHBondContact CD1-OD2 3.49Å; K125-D128 PolarHBondContact O-N 3.42Å; D128-R132 VanDerWaalsContact CG-NE 3.28Å; D128-R132 VanDerWaalsContact O-CB 3.31Å; D128-R132 WeakPolarHBondContact O-CB 3.47Å; D128-R132 WeakPolarHBondContact O-CD 3.33Å; D128-R132 WeakPolarHBondContact O-CG 3.47Å; D128-R132 PolarHBondContact O-N 2.86Å; D128-R132 IonicContact OD1-CZ 2.71Å; D128-R132 IonicContact OD1-NE 3.89Å; D128-R132 PolarHBondContact OD1-NE 3.05Å; D128-R132 IonicContact OD1-NH2 2.96Å; D128-R132 PolarHBondContact OD1-NH2 3.49Å; D128-R132 IonicContact OD2-CZ 2.85Å; D128-R132 VanDerWaalsContact OD2-CZ 3.27Å; D128-R132 IonicContact OD2-NE 4Å; D128-R132 PolarHBondContact OD2-NE 2.9Å; D128-R132 IonicContact OD2-NH2 3.52Å; D128-R132 PolarHBondContact OD2-NH2 2.87Å
129	R	43.2	Very low	44.8	Very low	164 Å²	164	125.8 Å²	125.8	62%	0.619	59%	0.587	S	S	*	*	H	α-helix	trans	-65.1	-42.9	171.6	-66.9	-174.9	69.5	-157.1	0.6	112	E127 L133	E127-R129 PolarHBondContact O-N 3.37Å; R129-L133 VanDerWaalsContact O-CB 3.3Å; R129-L133 WeakPolarHBondContact O-CB 3.47Å; R129-L133 WeakPolarHBondContact O-CD1 3.47Å; R129-L133 VanDerWaalsContact O-CG 3.22Å; R129-L133 WeakPolarHBondContact O-CG 3.13Å; R129-L133 PolarHBondContact O-N 3.48Å
130	L	42.6	Very low	45	Very low	105 Å²	105	121 Å²	121	55%	0.55	56%	0.563	S	S	.	*	H	α-helix	trans	-71.8	-44.3	-175.6	-175.1	61.7	0	0	0	111.3	E127 L133 Q134	E127-L130 PolarHBondContact O-N 3.37Å; L130-L133 PolarHBondContact O-N 3.1Å; L130-Q134 HydrophobicContact CD1-CG 4.49Å; L130-Q134 WeakPolarHBondContact O-CB 3.42Å; L130-Q134 VanDerWaalsContact O-CG 3.25Å; L130-Q134 WeakPolarHBondContact O-CG 3.21Å; L130-Q134 PolarHBondContact O-N 3.38Å
131	E	47.7	Very low	45.5	Very low	141 Å²	141	120.8 Å²	120.8	66%	0.659	56%	0.558	S	S	*	*	H	α-helix	trans	-63.4	-42.5	176.5	-69.4	-157.5	136.6	0	0	112.1	E127 Q134 E135	E127-E131 PolarHBondContact O-N 2.81Å; E131-Q134 PolarHBondContact O-N 3.45Å; E131-E135 WeakPolarHBondContact O-CB 3.05Å; E131-E135 PolarHBondContact O-N 2.95Å
132	R	48.1	Very low	45.9	Very low	112 Å²	112	114.3 Å²	114.3	42%	0.423	54%	0.536	S	S	.	.	H	α-helix	trans	-67	-40.6	177.2	-69.3	177.2	-167.9	-159.2	7.2	112.7	D128 E135 I136	D128-R132 VanDerWaalsContact CG-NE 3.28Å; D128-R132 VanDerWaalsContact O-CB 3.31Å; D128-R132 WeakPolarHBondContact O-CB 3.47Å; D128-R132 WeakPolarHBondContact O-CD 3.33Å; D128-R132 WeakPolarHBondContact O-CG 3.47Å; D128-R132 PolarHBondContact O-N 2.86Å; D128-R132 IonicContact OD1-CZ 2.71Å; D128-R132 IonicContact OD1-NE 3.89Å; D128-R132 PolarHBondContact OD1-NE 3.05Å; D128-R132 IonicContact OD1-NH2 2.96Å; D128-R132 PolarHBondContact OD1-NH2 3.49Å; D128-R132 IonicContact OD2-CZ 2.85Å; D128-R132 VanDerWaalsContact OD2-CZ 3.27Å; D128-R132 IonicContact OD2-NE 4Å; D128-R132 PolarHBondContact OD2-NE 2.9Å; D128-R132 IonicContact OD2-NH2 3.52Å; D128-R132 PolarHBondContact OD2-NH2 2.87Å; R132-E135 PolarHBondContact O-N 3.21Å; R132-I136 WeakPolarHBondContact O-CG1 3.46Å; R132-I136 PolarHBondContact O-N 3.23Å
133	L	46	Very low	46.1	Very low	91 Å²	91	106.3 Å²	106.3	48%	0.476	50%	0.5	S	S	.	.	H	α-helix	trans	-65.4	-42.1	174.9	-75.5	169.4	0	0	0	111.8	R129 L130 E135 I136 L137	R129-L133 VanDerWaalsContact O-CB 3.3Å; R129-L133 WeakPolarHBondContact O-CB 3.47Å; R129-L133 WeakPolarHBondContact O-CD1 3.47Å; R129-L133 VanDerWaalsContact O-CG 3.22Å; R129-L133 WeakPolarHBondContact O-CG 3.13Å; R129-L133 PolarHBondContact O-N 3.48Å; L130-L133 PolarHBondContact O-N 3.1Å; L133-E135 VanDerWaalsContact C-N 3.27Å; L133-E135 PolarHBondContact O-N 2.96Å; L133-I136 PolarHBondContact O-N 3.09Å; L133-L137 WeakPolarHBondContact O-CB 3.37Å; L133-L137 WeakPolarHBondContact O-CG 3.46Å; L133-L137 PolarHBondContact O-N 3.46Å
134	Q	46.2	Very low	46.2	Very low	75 Å²	75	104.8 Å²	104.8	35%	0.35	49%	0.486	S	S	.	.	H	α-helix	trans	-59.9	-38.2	172.3	-75	179.3	14	0	0	112	L130 E131 L137 R138	L130-Q134 HydrophobicContact CD1-CG 4.49Å; L130-Q134 WeakPolarHBondContact O-CB 3.42Å; L130-Q134 VanDerWaalsContact O-CG 3.25Å; L130-Q134 WeakPolarHBondContact O-CG 3.21Å; L130-Q134 PolarHBondContact O-N 3.38Å; E131-Q134 PolarHBondContact O-N 3.45Å; Q134-L137 PolarHBondContact O-N 2.9Å; Q134-R138 WeakPolarHBondContact O-CB 3.43Å; Q134-R138 VanDerWaalsContact O-CG 3.23Å; Q134-R138 WeakPolarHBondContact O-CG 3.26Å; Q134-R138 PolarHBondContact O-N 3.1Å
135	E	48.4	Very low	46.7	Very low	74 Å²	74	104.7 Å²	104.7	35%	0.346	49%	0.485	S	S	.	.	H	α-helix	trans	-71.7	-36.7	178.6	-175.5	59.7	-165.2	0	0	112.8	E131 R132 L133 R138 K139	E131-E135 WeakPolarHBondContact O-CB 3.05Å; E131-E135 PolarHBondContact O-N 2.95Å; R132-E135 PolarHBondContact O-N 3.21Å; L133-E135 VanDerWaalsContact C-N 3.27Å; L133-E135 PolarHBondContact O-N 2.96Å; E135-R138 IonicContact OE2-NH1 3.41Å; E135-K139 HydrophobicContact CG-CD 4.48Å; E135-K139 WeakPolarHBondContact O-CG 3.39Å; E135-K139 PolarHBondContact O-N 3.31Å; E135-K139 VanDerWaalsContact O-N 3.09Å; E135-K139 WeakPolarHBondContact OE1-CE 3.38Å; E135-K139 IonicContact OE1-NZ 2.71Å; E135-K139 PolarHBondContact OE1-NZ 3.28Å
136	I	49.5	Very low	47	Very low	69 Å²	69	98.2 Å²	98.2	35%	0.354	46%	0.457	S	S	.	.	H	α-helix	trans	-64.1	-45.7	170.8	-68.8	166.5	0	0	0	110.2	F110 R132 L133 K139 F140	F110-I136 HydrophobicContact CZ-CG2 4.1Å; R132-I136 WeakPolarHBondContact O-CG1 3.46Å; R132-I136 PolarHBondContact O-N 3.23Å; L133-I136 PolarHBondContact O-N 3.09Å; I136-K139 PolarHBondContact O-N 2.93Å; I136-F140 WeakPolarHBondContact O-CB 3.36Å; I136-F140 PolarHBondContact O-N 3.17Å
137	L	46.6	Very low	46.8	Very low	100 Å²	100	98.5 Å²	98.5	52%	0.524	45%	0.446	S	S	.	.	H	α-helix	trans	-61.3	-43.7	176.1	-80.3	161	0	0	0	112.3	L133 Q134 K139 F140 L141	L133-L137 WeakPolarHBondContact O-CB 3.37Å; L133-L137 WeakPolarHBondContact O-CG 3.46Å; L133-L137 PolarHBondContact O-N 3.46Å; Q134-L137 PolarHBondContact O-N 2.9Å; L137-K139 VanDerWaalsContact C-N 3.33Å; L137-K139 PolarHBondContact O-N 3.41Å; L137-F140 PolarHBondContact O-N 3.42Å; L137-L141 WeakPolarHBondContact O-CB 3.34Å; L137-L141 VanDerWaalsContact O-CG 3.27Å; L137-L141 WeakPolarHBondContact O-CG 3.17Å; L137-L141 PolarHBondContact O-N 2.97Å
138	R	51.1	Low	46.9	Very low	138 Å²	138	97.6 Å²	97.6	52%	0.521	44%	0.436	S	S	.	.	H	α-helix	trans	-58.9	-43.2	174.4	-75.9	170	-166.7	139.7	9.2	111.9	Q134 E135 F142	Q134-R138 WeakPolarHBondContact O-CB 3.43Å; Q134-R138 VanDerWaalsContact O-CG 3.23Å; Q134-R138 WeakPolarHBondContact O-CG 3.26Å; Q134-R138 PolarHBondContact O-N 3.1Å; E135-R138 IonicContact OE2-NH1 3.41Å; R138-F142 WeakPolarHBondContact O-CB 3.14Å; R138-F142 PolarHBondContact O-N 2.89Å
139	K	50.9	Low	47	Very low	97 Å²	97	99.9 Å²	99.9	42%	0.422	44%	0.444	S	S	.	.	H	α-helix	trans	-67.8	-40.3	177.4	-75.1	166.8	179.5	151.5	0	112.2	F110 E135 I136 L137 F142 L143	F110-K139 HydrophobicContact CD2-CB 4.07Å; F110-K139 HydrophobicContact CE2-CB 3.48Å; F110-K139 VanDerWaalsContact CE2-CB 3.48Å; F110-K139 HydrophobicContact CE2-CD 4.2Å; F110-K139 HydrophobicContact CE2-CG 4.44Å; F110-K139 HydrophobicContact CZ-CB 4.16Å; E135-K139 HydrophobicContact CG-CD 4.48Å; E135-K139 WeakPolarHBondContact O-CG 3.39Å; E135-K139 PolarHBondContact O-N 3.31Å; E135-K139 VanDerWaalsContact O-N 3.09Å; E135-K139 WeakPolarHBondContact OE1-CE 3.38Å; E135-K139 IonicContact OE1-NZ 2.71Å; E135-K139 PolarHBondContact OE1-NZ 3.28Å; I136-K139 PolarHBondContact O-N 2.93Å; L137-K139 VanDerWaalsContact C-N 3.33Å; L137-K139 PolarHBondContact O-N 3.41Å; K139-F142 PolarHBondContact O-N 3.37Å; K139-L143 WeakPolarHBondContact O-CG 3.28Å; K139-L143 PolarHBondContact O-N 3.38Å
140	F	46.9	Very low	47.2	Very low	98 Å²	98	92.9 Å²	92.9	43%	0.43	42%	0.419	S	S	.	.	H	α-helix	trans	-63.7	-50.4	175.6	-178.6	-96.5	0	0	0	112	F110 I136 L137 F142 L143 E144	F110-F140 HydrophobicContact CE1-CD2 4.49Å; F110-F140 HydrophobicContact CZ-CB 4.34Å; I136-F140 WeakPolarHBondContact O-CB 3.36Å; I136-F140 PolarHBondContact O-N 3.17Å; L137-F140 PolarHBondContact O-N 3.42Å; F140-F142 VanDerWaalsContact C-N 3.26Å; F140-F142 PolarHBondContact O-N 3.48Å; F140-L143 PolarHBondContact O-N 3.21Å; F140-E144 HydrophobicContact CD1-CG 4.37Å; F140-E144 HydrophobicContact CE1-CG 3.85Å; F140-E144 VanDerWaalsContact CE1-OE1 3.28Å; F140-E144 WeakPolarHBondContact CE1-OE1 3.22Å; F140-E144 HydrophobicContact CZ-CG 4.07Å; F140-E144 PolarHBondContact O-N 2.97Å
141	L	46.2	Very low	47.2	Very low	105 Å²	105	90.1 Å²	90.1	55%	0.55	41%	0.407	S	S	.	.	H	α-helix	trans	-61.8	-33	177.3	-69.4	169.9	0	0	0	112.6	L137 R145	L137-L141 WeakPolarHBondContact O-CB 3.34Å; L137-L141 VanDerWaalsContact O-CG 3.27Å; L137-L141 WeakPolarHBondContact O-CG 3.17Å; L137-L141 PolarHBondContact O-N 2.97Å; L141-R145 WeakPolarHBondContact O-CB 3.24Å; L141-R145 PolarHBondContact O-N 2.75Å; L141-R145 VanDerWaalsContact O-N 3.07Å
142	F	48.9	Very low	47.1	Very low	112 Å²	112	87.2 Å²	87.2	49%	0.491	40%	0.395	S	S	.	.	H	α-helix	trans	-65.9	-45.4	171.7	179.8	-95.2	0	0	0	111.9	R138 K139 F140 R145 E146	R138-F142 WeakPolarHBondContact O-CB 3.14Å; R138-F142 PolarHBondContact O-N 2.89Å; K139-F142 PolarHBondContact O-N 3.37Å; F140-F142 VanDerWaalsContact C-N 3.26Å; F140-F142 PolarHBondContact O-N 3.48Å; F142-R145 WeakPolarHBondContact O-CB 3.49Å; F142-R145 PolarHBondContact O-N 3.27Å; F142-E146 HydrophobicContact CD1-CG 4.27Å; F142-E146 HydrophobicContact CE1-CG 3.85Å; F142-E146 HydrophobicContact CZ-CG 4.06Å; F142-E146 WeakPolarHBondContact O-CG 3.25Å; F142-E146 PolarHBondContact O-N 3.47Å
143	L	47.1	Very low	47.2	Very low	17 Å²	17	83.7 Å²	83.7	9%	0.089	39%	0.387	C	S	.	.	H	α-helix	trans	-65.3	-40.3	176.8	-70.7	170.3	0	0	0	112.2	Y103 R106 V107 F110 K139 F140 R145 E146 F147	Y103-L143 HydrophobicContact CE2-CB 4.39Å; Y103-L143 HydrophobicContact CE2-CD2 4.26Å; Y103-L143 WeakPolarHBondContact CE2-O 3.43Å; R106-L143 HydrophobicContact CB-CD2 4.23Å; V107-L143 HydrophobicContact CG2-CD1 4.42Å; V107-L143 HydrophobicContact CG2-CD2 4.21Å; F110-L143 HydrophobicContact CB-CD1 3.92Å; F110-L143 HydrophobicContact CD1-CD1 3.69Å; F110-L143 HydrophobicContact CD2-CD1 4.4Å; F110-L143 HydrophobicContact CE1-CD1 4.27Å; F110-L143 HydrophobicContact CG-CD1 3.75Å; K139-L143 WeakPolarHBondContact O-CG 3.28Å; K139-L143 PolarHBondContact O-N 3.38Å; F140-L143 PolarHBondContact O-N 3.21Å; L143-R145 VanDerWaalsContact C-N 3.29Å; L143-R145 PolarHBondContact O-N 3.2Å; L143-E146 PolarHBondContact O-N 3.12Å; L143-F147 WeakPolarHBondContact O-CB 3.37Å; L143-F147 PolarHBondContact O-N 2.67Å
144	E	45.7	Very low	47.2	Very low	65 Å²	65	86 Å²	86	30%	0.304	39%	0.394	S	S	.	.	H	α-helix	trans	-58.6	-41.7	171.3	-83.3	-150.5	178.9	0	0	112.3	F140 F147 R148	F140-E144 HydrophobicContact CD1-CG 4.37Å; F140-E144 HydrophobicContact CE1-CG 3.85Å; F140-E144 VanDerWaalsContact CE1-OE1 3.28Å; F140-E144 WeakPolarHBondContact CE1-OE1 3.22Å; F140-E144 HydrophobicContact CZ-CG 4.07Å; F140-E144 PolarHBondContact O-N 2.97Å; E144-F147 PolarHBondContact O-N 2.85Å; E144-R148 WeakPolarHBondContact O-CB 3.31Å; E144-R148 VanDerWaalsContact O-CG 3.24Å; E144-R148 WeakPolarHBondContact O-CG 3.38Å; E144-R148 PolarHBondContact O-N 2.71Å; E144-R148 IonicContact OE2-CZ 3.5Å; E144-R148 IonicContact OE2-NE 3.47Å; E144-R148 PolarHBondContact OE2-NE 3.36Å; E144-R148 IonicContact OE2-NH2 2.69Å; E144-R148 PolarHBondContact OE2-NH2 2.9Å
145	R	49.8	Very low	47.3	Very low	118 Å²	118	89.1 Å²	89.1	45%	0.445	41%	0.406	S	S	.	.	H	α-helix	trans	-62.9	-45.4	178.7	-174.9	177.7	-178.6	146.9	5.4	111.4	L141 F142 L143 R148 Q149	L141-R145 WeakPolarHBondContact O-CB 3.24Å; L141-R145 PolarHBondContact O-N 2.75Å; L141-R145 VanDerWaalsContact O-N 3.07Å; F142-R145 WeakPolarHBondContact O-CB 3.49Å; F142-R145 PolarHBondContact O-N 3.27Å; L143-R145 VanDerWaalsContact C-N 3.29Å; L143-R145 PolarHBondContact O-N 3.2Å; R145-R148 PolarHBondContact O-N 3.43Å; R145-Q149 WeakPolarHBondContact O-CG 3.47Å; R145-Q149 PolarHBondContact O-N 3.26Å
146	E	46.2	Very low	47	Very low	54 Å²	54	90.1 Å²	90.1	25%	0.252	41%	0.413	S	S	.	.	H	α-helix	trans	-59.5	-46.5	174.4	-66.9	-79.5	99.1	0	0	111.2	Y103 R106 F142 L143 R148 Q149 I150	Y103-E146 HydrophobicContact CD2-CB 4.14Å; Y103-E146 HydrophobicContact CE2-CB 4.42Å; R106-E146 IonicContact CZ-OE2 3.28Å; R106-E146 VanDerWaalsContact CZ-OE2 3.28Å; R106-E146 IonicContact NH1-OE2 2.69Å; R106-E146 PolarHBondContact NH1-OE2 2.67Å; R106-E146 IonicContact NH2-OE2 2.95Å; R106-E146 PolarHBondContact NH2-OE2 3.21Å; F142-E146 HydrophobicContact CD1-CG 4.27Å; F142-E146 HydrophobicContact CE1-CG 3.85Å; F142-E146 HydrophobicContact CZ-CG 4.06Å; F142-E146 WeakPolarHBondContact O-CG 3.25Å; F142-E146 PolarHBondContact O-N 3.47Å; L143-E146 PolarHBondContact O-N 3.12Å; E146-R148 VanDerWaalsContact C-N 3.35Å; E146-R148 PolarHBondContact O-N 2.99Å; E146-Q149 PolarHBondContact O-N 3.05Å; E146-I150 WeakPolarHBondContact O-CG1 3.48Å; E146-I150 PolarHBondContact O-N 3.21Å
147	F	44.3	Very low	46.6	Very low	106 Å²	106	89.4 Å²	89.4	47%	0.465	41%	0.408	S	S	.	.	H	α-helix	trans	-60.9	-41.9	177.6	-174.5	-107	0	0	0	112.6	Y103 L143 E144 I150 T151	Y103-F147 HydrophobicContact CD1-CD2 4.36Å; Y103-F147 HydrophobicContact CE1-CB 4.46Å; Y103-F147 AromaticContact CE1-CD2 3.6Å; Y103-F147 HydrophobicContact CE1-CD2 3.6Å; Y103-F147 HydrophobicContact CE1-CE2 4.33Å; Y103-F147 HydrophobicContact CE1-CG 4.43Å; Y103-F147 HydrophobicContact CE2-CB 3.91Å; Y103-F147 AromaticContact CZ-CD2 3.7Å; L143-F147 WeakPolarHBondContact O-CB 3.37Å; L143-F147 PolarHBondContact O-N 2.67Å; E144-F147 PolarHBondContact O-N 2.85Å; F147-I150 PolarHBondContact O-N 3.08Å; F147-T151 VanDerWaalsContact O-CB 3.32Å; F147-T151 WeakPolarHBondContact O-CB 3.43Å; F147-T151 PolarHBondContact O-N 2.98Å; F147-T151 PolarHBondContact O-OG1 3.37Å
148	R	44.2	Very low	46.2	Very low	151 Å²	151	88.5 Å²	88.5	57%	0.57	41%	0.407	S	S	*	.	H	α-helix	trans	-64.5	-39.5	175.6	-70.5	172.2	-162.4	-116.1	8.9	111.4	E144 R145 E146 T151 I152	E144-R148 WeakPolarHBondContact O-CB 3.31Å; E144-R148 VanDerWaalsContact O-CG 3.24Å; E144-R148 WeakPolarHBondContact O-CG 3.38Å; E144-R148 PolarHBondContact O-N 2.71Å; E144-R148 IonicContact OE2-CZ 3.5Å; E144-R148 IonicContact OE2-NE 3.47Å; E144-R148 PolarHBondContact OE2-NE 3.36Å; E144-R148 IonicContact OE2-NH2 2.69Å; E144-R148 PolarHBondContact OE2-NH2 2.9Å; R145-R148 PolarHBondContact O-N 3.43Å; E146-R148 VanDerWaalsContact C-N 3.35Å; E146-R148 PolarHBondContact O-N 2.99Å; R148-T151 PolarHBondContact O-N 3.26Å; R148-I152 WeakPolarHBondContact O-CD1 3.43Å; R148-I152 VanDerWaalsContact O-CG1 3.23Å; R148-I152 WeakPolarHBondContact O-CG1 3.08Å; R148-I152 PolarHBondContact O-N 3.27Å
149	Q	47.5	Very low	45.6	Very low	105 Å²	105	85.4 Å²	85.4	49%	0.491	41%	0.406	S	S	.	.	H	α-helix	trans	-63.5	-50.5	174.1	-67.9	-52.9	-82.5	0	0	112	R145 E146 T151 I152 S153	R145-Q149 WeakPolarHBondContact O-CG 3.47Å; R145-Q149 PolarHBondContact O-N 3.26Å; E146-Q149 PolarHBondContact O-N 3.05Å; Q149-T151 PolarHBondContact O-N 3.42Å; Q149-I152 PolarHBondContact O-N 3.13Å; Q149-S153 PolarHBondContact O-N 3.03Å; Q149-S153 PolarHBondContact O-OG 3.1Å
150	I	47.8	Very low	45	Very low	17 Å²	17	85.7 Å²	85.7	9%	0.087	41%	0.409	C	S	.	.	H	α-helix	trans	-57.6	-39.3	177.4	-68.1	168.2	0	0	0	111.1	E99 V100 Y103 E146 F147 S153 K154	E99-I150 HydrophobicContact CB-CD1 4.41Å; E99-I150 HydrophobicContact CB-CG1 4.33Å; V100-I150 HydrophobicContact CG2-CG2 3.53Å; Y103-I150 HydrophobicContact CD2-CD1 4.37Å; Y103-I150 HydrophobicContact CG-CD1 4.02Å; E146-I150 WeakPolarHBondContact O-CG1 3.48Å; E146-I150 PolarHBondContact O-N 3.21Å; F147-I150 PolarHBondContact O-N 3.08Å; I150-S153 PolarHBondContact O-N 3.43Å; I150-K154 WeakPolarHBondContact O-CB 3.49Å; I150-K154 PolarHBondContact O-N 2.83Å
151	T	42.1	Very low	44.7	Very low	48 Å²	48	88.7 Å²	88.7	29%	0.294	42%	0.422	S	S	.	.	H	α-helix	trans	-67.7	-37.8	176.9	-58.4	0	0	0	0	112.5	F147 R148 Q149 K154 K155	F147-T151 VanDerWaalsContact O-CB 3.32Å; F147-T151 WeakPolarHBondContact O-CB 3.43Å; F147-T151 PolarHBondContact O-N 2.98Å; F147-T151 PolarHBondContact O-OG1 3.37Å; R148-T151 PolarHBondContact O-N 3.26Å; Q149-T151 PolarHBondContact O-N 3.42Å; T151-K154 PolarHBondContact O-N 2.93Å; T151-K155 WeakPolarHBondContact O-CB 3.42Å; T151-K155 WeakPolarHBondContact O-CG 3.26Å; T151-K155 PolarHBondContact O-N 3.49Å
152	I	45.9	Very low	44.2	Very low	79 Å²	79	90.6 Å²	90.6	41%	0.405	43%	0.433	S	S	.	.	H	α-helix	trans	-66.7	-47.2	174.1	-69.9	161.6	0	0	0	110.3	R148 Q149 K154 K155 N156	R148-I152 WeakPolarHBondContact O-CD1 3.43Å; R148-I152 VanDerWaalsContact O-CG1 3.23Å; R148-I152 WeakPolarHBondContact O-CG1 3.08Å; R148-I152 PolarHBondContact O-N 3.27Å; Q149-I152 PolarHBondContact O-N 3.13Å; I152-K154 VanDerWaalsContact C-N 3.27Å; I152-K154 PolarHBondContact O-N 3.44Å; I152-K155 PolarHBondContact O-N 3.09Å; I152-K155 VanDerWaalsContact O-N 3.09Å; I152-N156 PolarHBondContact O-N 3.41Å; I152-N156 PolarHBondContact O-OD1 3.32Å
153	S	48.9	Very low	43.5	Very low	38 Å²	38	89.6 Å²	89.6	27%	0.266	44%	0.44	S	S	.	.	H	α-helix	trans	-56.4	-41.2	175.1	-59.9	0	0	0	0	112.1	Q149 I150 F157	Q149-S153 PolarHBondContact O-N 3.03Å; Q149-S153 PolarHBondContact O-OG 3.1Å; I150-S153 PolarHBondContact O-N 3.43Å; S153-F157 PolarHBondContact O-N 3.18Å
154	K	47	Very low	42.7	Very low	141 Å²	141	97.7 Å²	97.7	61%	0.613	48%	0.477	S	S	*	.	H	α-helix	trans	-67.8	-38.5	176	-163.6	180	-178.5	-174.4	0	112.7	I150 T151 I152 F157 T158	I150-K154 WeakPolarHBondContact O-CB 3.49Å; I150-K154 PolarHBondContact O-N 2.83Å; T151-K154 PolarHBondContact O-N 2.93Å; I152-K154 VanDerWaalsContact C-N 3.27Å; I152-K154 PolarHBondContact O-N 3.44Å; K154-F157 PolarHBondContact O-N 2.83Å; K154-T158 PolarHBondContact O-N 3.18Å; K154-T158 PolarHBondContact O-OG1 3.34Å
155	K	48.1	Very low	41.9	Very low	140 Å²	140	100.6 Å²	100.6	61%	0.609	50%	0.502	S	S	*	.	H	α-helix	trans	-67.5	-44	177.5	-81.4	-177.7	174.6	-171.2	0	112.6	T151 I152 F157 T158 S159	T151-K155 WeakPolarHBondContact O-CB 3.42Å; T151-K155 WeakPolarHBondContact O-CG 3.26Å; T151-K155 PolarHBondContact O-N 3.49Å; I152-K155 PolarHBondContact O-N 3.09Å; I152-K155 VanDerWaalsContact O-N 3.09Å; K155-F157 VanDerWaalsContact C-N 3.27Å; K155-F157 PolarHBondContact O-N 3.2Å; K155-T158 WeakPolarHBondContact CA-OG1 3.41Å; K155-T158 PolarHBondContact O-N 2.73Å; K155-T158 PolarHBondContact O-OG1 3.49Å; K155-S159 PolarHBondContact O-N 3.2Å; K155-S159 PolarHBondContact O-OG 2.91Å
156	N	42.3	Very low	41.3	Very low	94 Å²	94	103.9 Å²	103.9	50%	0.503	52%	0.522	S	S	.	.	H	α-helix	trans	-61.3	-39	177	-65.6	-1.1	0	0	0	111.1	I152 T158 S159 E160	I152-N156 PolarHBondContact O-N 3.41Å; I152-N156 PolarHBondContact O-OD1 3.32Å; N156-T158 VanDerWaalsContact C-N 3.29Å; N156-T158 PolarHBondContact O-N 3.29Å; N156-S159 WeakPolarHBondContact CA-OG 3.48Å; N156-S159 PolarHBondContact O-N 2.98Å; N156-S159 PolarHBondContact O-OG 3.11Å; N156-E160 PolarHBondContact O-N 3.45Å
157	F	40.7	Very low	40.4	Very low	55 Å²	55	111 Å²	111	24%	0.241	55%	0.552	C	S	.	*	H	α-helix	trans	-65.5	-28.6	174.8	-161.1	-84.5	0	0	0	113.5	K93 I96 S153 K154 K155	K93-F157 HydrophobicContact CD-CE1 4.25Å; K93-F157 HydrophobicContact CD-CZ 3.97Å; K93-F157 VanDerWaalsContact CE-CE1 3.47Å; K93-F157 HydrophobicContact CG-CE1 4Å; K93-F157 HydrophobicContact CG-CE2 3.88Å; K93-F157 HydrophobicContact CG-CZ 3.47Å; K93-F157 VanDerWaalsContact CG-CZ 3.47Å; I96-F157 HydrophobicContact CD1-CB 4.4Å; I96-F157 HydrophobicContact CD1-CD2 4.31Å; I96-F157 HydrophobicContact CD1-CG 4.47Å; S153-F157 PolarHBondContact O-N 3.18Å; K154-F157 PolarHBondContact O-N 2.83Å; K155-F157 VanDerWaalsContact C-N 3.27Å; K155-F157 PolarHBondContact O-N 3.2Å
158	T	39.3	Very low	39.6	Very low	80 Å²	80	110.7 Å²	110.7	49%	0.491	56%	0.563	S	S	.	*	H	α-helix	trans	-81.9	-26.8	174.9	48.3	0	0	0	0	113.7	K154 K155 N156	K154-T158 PolarHBondContact O-N 3.18Å; K154-T158 PolarHBondContact O-OG1 3.34Å; K155-T158 WeakPolarHBondContact CA-OG1 3.41Å; K155-T158 PolarHBondContact O-N 2.73Å; K155-T158 PolarHBondContact O-OG1 3.49Å; N156-T158 VanDerWaalsContact C-N 3.29Å; N156-T158 PolarHBondContact O-N 3.29Å
159	S	38	Very low	38.4	Very low	73 Å²	73	113.4 Å²	113.4	51%	0.51	58%	0.579	S	S	.	*	H	α-helix	trans	-73.8	-32.5	177	46.1	0	0	0	0	113.5	K155 N156 K161 N162	K155-S159 PolarHBondContact O-N 3.2Å; K155-S159 PolarHBondContact O-OG 2.91Å; N156-S159 WeakPolarHBondContact CA-OG 3.48Å; N156-S159 PolarHBondContact O-N 2.98Å; N156-S159 PolarHBondContact O-OG 3.11Å; S159-K161 PolarHBondContact O-N 2.82Å; S159-N162 PolarHBondContact O-N 2.98Å
160	E	38.7	Very low	37.2	Very low	104 Å²	104	112.6 Å²	112.6	49%	0.486	59%	0.585	S	S	.	*	G	3₁₀ helix	trans	-67	-13.9	177.5	-71.2	-176.3	142	0	0	113.8	N156	N156-E160 PolarHBondContact O-N 3.45Å
161	K	40.7	Very low	36.1	Very low	160 Å²	160	119 Å²	119	70%	0.696	62%	0.619	S	S	*	*	G	3₁₀ helix	trans	-82.1	-14.1	176.7	-90.5	-167.4	162.2	-154.1	0	114.9	S159	S159-K161 PolarHBondContact O-N 2.82Å
162	N	35.8	Very low	35.1	Very low	146 Å²	146	123.2 Å²	123.2	78%	0.781	64%	0.64	S	S	*	*	G	3₁₀ helix	trans	-109	25.7	-170.8	-66.8	-0.7	0	0	0	112.4	S159	S159-N162 PolarHBondContact O-N 2.98Å
163	S	33.8	Very low	34.2	Very low	91 Å²	91	124.1 Å²	124.1	64%	0.636	65%	0.653	S	S	*	*			trans	-139	61	-177.1	66.7	0	0	0	0	113.4
164	E	29.1	Very low	33.1	Very low	187 Å²	187	128.1 Å²	128.1	87%	0.874	68%	0.676	S	S	*	*			trans	-128.5	142.6	153	-75.3	-167.1	156.6	0	0	109
165	P	30	Very low	32.2	Very low	126 Å²	126	128.1 Å²	128.1	82%	0.818	68%	0.683	S	S	*	*			trans	-83.8	143.5	-176.3	33.3	-33.9	0	0	0	112.2	K167	P165-K167 PolarHBondContact O-N 3.23Å
166	E	36.3	Very low	31	Very low	187 Å²	187	126.3 Å²	126.3	87%	0.874	68%	0.683	S	S	*	*			trans	-61.4	128.7	168.6	-58.7	-178.1	154.6	0	0	111.3
167	K	27.5	Very low	30.2	Very low	202 Å²	202	127.7 Å²	127.7	88%	0.878	69%	0.691	S	S	*	*			trans	-169	119.1	143.3	-106.1	153	-170.7	177.6	0	114.5	P165	P165-K167 PolarHBondContact O-N 3.23Å
168	S	27	Very low	29.6	Very low	100 Å²	100	132.8 Å²	132.8	70%	0.699	72%	0.715	S	S	*	*			trans	-18.3	140.6	157.9	55.1	0	0	0	0	120
169	F	19.8	Very low	28.9	Very low	208 Å²	208	141.2 Å²	141.2	91%	0.912	74%	0.738	S	S	*	*				-163.3	164.9	118.8	-121.4	-87	0	0	0	111
170	S	21.3	Very low	28.3	Very low	88 Å²	88	143.1 Å²	143.1	62%	0.615	75%	0.747	S	S	*	*			trans	-132.4	149.8	-166.7	64.5	0	0	0	0	115.6
171	L	24.8	Very low	27.6	Very low	151 Å²	151	146.2 Å²	146.2	79%	0.791	77%	0.765	S	S	*	*			trans	65.9	150.6	157.2	-62.8	161.4	0	0	0	116.1
172	D	22.2	Very low	26.8	Very low	138 Å²	138	148 Å²	148	74%	0.738	77%	0.768	S	S	*	*			cis	-159.4	171.4	12.6	-138.8	-25.7	0	0	0	112.7
173	S	26.4	Very low	26.4	Very low	98 Å²	98	149 Å²	149	69%	0.685	77%	0.772	S	S	*	*			trans	64.5	136.5	159	-155.5	0	0	0	0	118.9
174	T	26.5	Very low	25.9	Very low	121 Å²	121	151.7 Å²	151.7	74%	0.742	77%	0.774	S	S	*	*			cis	-165.9	148.4	0.9	10.8	0	0	0	0	109
175	D	27.2	Very low	25.8	Very low	142 Å²	142	148.3 Å²	148.3	76%	0.759	77%	0.766	S	S	*	*			trans	38.6	142.5	141.5	-110.7	39.3	0	0	0	122.4
176	T	24.3	Very low	25.6	Very low	101 Å²	101	149.7 Å²	149.7	62%	0.62	77%	0.765	S	S	*	*			cis	-156.1	164.4	6.5	-22.7	0	0	0	0	111.1
177	D	25.5	Very low	25.1	Very low	124 Å²	124	146.2 Å²	146.2	66%	0.663	75%	0.753	S	S	*	*			trans	70.7	94.2	154.3	-75.1	-24.3	0	0	0	124.3
178	Q	27	Very low	25.3	Very low	161 Å²	161	145 Å²	145	75%	0.752	76%	0.756	S	S	*	*				63.9	91.9	115.7	-67.4	-177.2	61.5	0	0	120.2
179	R	25.8	Very low	25.5	Very low	258 Å²	258	144.5 Å²	144.5	97%	0.974	75%	0.752	S	S	*	*				-142.2	84	121	-130.3	171.5	175.7	157	-0.7	112.5	L181	R179-L181 PolarHBondContact O-N 3.35Å
180	V	24.5	Very low	25.9	Very low	113 Å²	113	143.4 Å²	143.4	69%	0.685	75%	0.747	S	S	*	*			trans	-73.3	113.8	178.9	176.7	0	0	0	0	110.5	R182	V180-R182 HydrophobicContact CG1-CG 3.86Å
181	L	23.6	Very low	26	Very low	168 Å²	168	150.4 Å²	150.4	88%	0.88	76%	0.762	S	S	*	*			trans	-106.3	111.7	143.4	-86.8	171.6	0	0	0	107.4	R179 I183	R179-L181 PolarHBondContact O-N 3.35Å; L181-I183 PolarHBondContact O-N 3.4Å
182	R	24.1	Very low	26	Very low	199 Å²	199	149.5 Å²	149.5	75%	0.751	76%	0.757	S	S	*	*			trans	-57.6	122.4	175.5	-65.8	175.7	-176.3	144.1	1.2	108.4	V180 Q184	V180-R182 HydrophobicContact CG1-CG 3.86Å; R182-Q184 HydrophobicContact CB-CG 4.43Å; R182-Q184 PolarHBondContact O-N 3.13Å
183	I	27.2	Very low	26.4	Very low	167 Å²	167	150.5 Å²	150.5	86%	0.856	76%	0.759	S	S	*	*			trans	-69.2	88.5	147.3	-60	175.6	0	0	0	104.7	L181 T185	L181-I183 PolarHBondContact O-N 3.4Å; I183-T185 PolarHBondContact O-N 2.91Å
184	Q	24.4	Very low	26.4	Very low	146 Å²	146	151.4 Å²	151.4	68%	0.682	76%	0.757	S	S	*	*			trans	-63.3	119.2	153.3	-87.2	169.6	-51.4	0	0	105.8	R182 I186	R182-Q184 HydrophobicContact CB-CG 4.43Å; R182-Q184 PolarHBondContact O-N 3.13Å; Q184-I186 PolarHBondContact O-N 3.28Å
185	T	27.3	Very low	26.9	Very low	117 Å²	117	153.9 Å²	153.9	72%	0.718	76%	0.758	S	S	*	*			trans	-46.2	111.1	156.1	42.3	0	0	0	0	106.9	I183 D187	I183-T185 PolarHBondContact O-N 2.91Å; T185-D187 PolarHBondContact O-N 3.25Å; T185-D187 VanDerWaalsContact O-N 3.1Å
186	I	25.8	Very low	26.8	Very low	155 Å²	155	154 Å²	154	80%	0.795	76%	0.758	S	S	*	*			trans	-70.4	109.1	168	-64.9	177.6	0	0	0	104.4	Q184 D188	Q184-I186 PolarHBondContact O-N 3.28Å; I186-D188 PolarHBondContact O-N 2.89Å
187	D	24.6	Very low	27	Very low	114 Å²	114	156 Å²	156	61%	0.61	76%	0.761	S	S	*	*			trans	-54	126.8	171.5	-71	-61.1	0	0	0	109.5	T185 S189	T185-D187 PolarHBondContact O-N 3.25Å; T185-D187 VanDerWaalsContact O-N 3.1Å; D187-S189 WeakPolarHBondContact CB-OG 3.33Å; D187-S189 PolarHBondContact O-N 3.09Å
188	D	31.6	Very low	27.1	Very low	176 Å²	176	156.6 Å²	156.6	94%	0.941	76%	0.763	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71	27.7	170.5	-78.8	-43.2	0	0	0	112	I186	I186-D188 PolarHBondContact O-N 2.89Å
189	S	30.7	Very low	27.6	Very low	89 Å²	89	154.3 Å²	154.3	62%	0.622	76%	0.763	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.5	5.5	-174.7	70.1	0	0	0	0	114.8	D187	D187-S189 WeakPolarHBondContact CB-OG 3.33Å; D187-S189 PolarHBondContact O-N 3.09Å
190	K	28.5	Very low	27.5	Very low	185 Å²	185	146 Å²	146	80%	0.804	75%	0.749	S	S	*	*	S	Bend	trans	-114.8	28.2	-177.4	-147.4	-172.2	175.8	175.7	0	116.4
191	Y	24.3	Very low	27.6	Very low	236 Å²	236	147.9 Å²	147.9	93%	0.925	76%	0.761	S	S	*	*			trans	-130.2	67.9	153.9	-96	-79.9	0	0	0	109.7	M193	Y191-M193 PolarHBondContact O-N 3.21Å
192	D	23.6	Very low	27.6	Very low	131 Å²	131	143.1 Å²	143.1	70%	0.701	75%	0.752	S	S	*	*			trans	-62.3	125.8	169.3	-151.4	-16	0	0	0	109.5	N194	D192-N194 PolarHBondContact OD1-ND2 3.31Å
193	M	32	Very low	28.1	Very low	159 Å²	159	143.2 Å²	143.2	78%	0.783	76%	0.761	S	S	*	*			trans	-98.7	93.1	170.8	-85.3	-103.4	-63.4	0	0	108	Y191	Y191-M193 PolarHBondContact O-N 3.21Å
194	N	26.3	Very low	28	Very low	117 Å²	117	143.8 Å²	143.8	63%	0.626	76%	0.76	S	S	*	*			trans	-138.4	124.8	161.7	-83.4	-57.8	0	0	0	106.7	D192	D192-N194 PolarHBondContact OD1-ND2 3.31Å
195	F	36.9	Very low	28.2	Very low	174 Å²	174	145.2 Å²	145.2	76%	0.763	77%	0.767	S	S	*	*			cis	54.5	78.3	35.7	-87.9	-73.7	0	0	0	113.5
196	N	23.9	Very low	28.1	Very low	144 Å²	144	145.2 Å²	145.2	77%	0.77	77%	0.769	S	S	*	*			trans	-100.3	115.6	145.7	-88.1	-25.9	0	0	0	106.1
197	Q	28.7	Very low	28	Very low	144 Å²	144	145.2 Å²	145.2	67%	0.673	77%	0.77	S	S	*	*				60.7	129.5	69.6	-61.3	-171	34.3	0	0	111.4
198	N	28.4	Very low	28.1	Very low	135 Å²	135	145.1 Å²	145.1	72%	0.722	77%	0.769	S	S	*	*			cis	-166.3	-169.6	10.3	-128.5	-24.5	0	0	0	107.5
199	P	38.2	Very low	27.9	Very low	113 Å²	113	145.1 Å²	145.1	73%	0.734	77%	0.768	S	S	*	*			cis	-117.5	-176.9	-31.7	37.1	-18.6	0	0	0	110.2
200	A	23.5	Very low	27.8	Very low	84 Å²	84	146.3 Å²	146.3	69%	0.694	77%	0.772	S	S	*	*			cis	-165.4	143.2	36.7	0	0	0	0	0	113.9
201	V	25.1	Very low	28.2	Very low	153 Å²	153	143.9 Å²	143.9	93%	0.927	76%	0.763	S	S	*	*			trans	51.8	112.8	146.8	-172.5	0	0	0	0	119.3
202	G	25.1	Very low	28.5	Very low	67 Å²	67	140.1 Å²	140.1	69%	0.691	76%	0.759	S	S	*	*			trans	160.7	98.8	163	0	0	0	0	0	111.8	Q204	G202-Q204 PolarHBondContact O-N 2.84Å
203	E	34.8	Very low	28.7	Very low	202 Å²	202	143.6 Å²	143.6	94%	0.944	77%	0.768	S	S	*	*			trans	-60.2	128.3	-178.5	-59.1	169.4	143.4	0	0	111.8
204	Q	25.1	Very low	28.9	Very low	178 Å²	178	144.7 Å²	144.7	83%	0.832	77%	0.771	S	S	*	*			trans	-141	130.6	165.9	-71.4	-164.2	-13.9	0	0	112.2	G202	G202-Q204 PolarHBondContact O-N 2.84Å
205	E	27.1	Very low	29.2	Very low	176 Å²	176	142.4 Å²	142.4	82%	0.822	77%	0.765	S	S	*	*			trans	-65	159.6	176.9	-64.5	-177.5	122.8	0	0	112.7	L207	E205-L207 PolarHBondContact O-N 2.91Å
206	P	26	Very low	29.1	Very low	118 Å²	118	138.7 Å²	138.7	77%	0.766	76%	0.76	S	S	*	*			trans	-63.2	109.1	174.1	25.9	-34.6	0	0	0	111.6	N208	P206-N208 PolarHBondContact O-N 3.27Å
207	L	24.1	Very low	29.5	Very low	155 Å²	155	137.8 Å²	137.8	81%	0.812	76%	0.756	S	S	*	*			trans	-55.3	106	177.5	-80.1	164.5	0	0	0	112.1	E205 L209	E205-L207 PolarHBondContact O-N 2.91Å; L207-L209 PolarHBondContact O-N 3.29Å; L207-L209 VanDerWaalsContact O-N 3.08Å
208	N	26.5	Very low	29.6	Very low	112 Å²	112	139.9 Å²	139.9	60%	0.599	76%	0.759	S	S	*	*			trans	-65.2	103.2	170.7	-100.9	-75.5	0	0	0	110.1	P206 T210 Q211	P206-N208 PolarHBondContact O-N 3.27Å; N208-T210 PolarHBondContact O-N 3.48Å; N208-Q211 PolarHBondContact O-N 3.46Å
209	L	28.2	Very low	29.9	Very low	176 Å²	176	141.7 Å²	141.7	92%	0.921	76%	0.76	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74	31.8	176.7	-133.2	83.2	0	0	0	113.8	L207	L207-L209 PolarHBondContact O-N 3.29Å; L207-L209 VanDerWaalsContact O-N 3.08Å
210	T	28.5	Very low	29.6	Very low	113 Å²	113	145.1 Å²	145.1	69%	0.693	77%	0.766	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.8	-7.2	176.5	46.2	0	0	0	0	113	N208	N208-T210 PolarHBondContact O-N 3.48Å
211	Q	36.5	Very low	30.1	Very low	135 Å²	135	146.9 Å²	146.9	63%	0.631	77%	0.773	S	S	*	*			trans	-92.7	-10.5	-172.2	-91	178.5	-40.7	0	0	117	N208 F213	N208-Q211 PolarHBondContact O-N 3.46Å; Q211-F213 VanDerWaalsContact C-N 3.3Å; Q211-F213 PolarHBondContact O-N 2.88Å; Q211-F213 VanDerWaalsContact O-N 3.16Å
212	N	29.9	Very low	30.7	Very low	157 Å²	157	145 Å²	145	84%	0.84	76%	0.757	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.6	34.9	-177.2	-78.9	-0.8	0	0	0	115.5
213	F	28.6	Very low	30.9	Very low	203 Å²	203	150.3 Å²	150.3	89%	0.89	77%	0.767	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136.5	27.5	168.9	-79.8	-75.8	0	0	0	113.6	Q211	Q211-F213 VanDerWaalsContact C-N 3.3Å; Q211-F213 PolarHBondContact O-N 2.88Å; Q211-F213 VanDerWaalsContact O-N 3.16Å
214	Q	36.2	Very low	30.9	Very low	182 Å²	182	146.6 Å²	146.6	85%	0.85	75%	0.753	S	S	*	*			trans	-99.2	69.1	167.6	-65.9	-166.1	-3.4	0	0	111.5
215	S	32.1	Very low	31.8	Very low	69 Å²	69	142.6 Å²	142.6	48%	0.483	74%	0.737	S	S	.	*			trans	-100.9	136.7	153	157.5	0	0	0	0	107.4	D217	S215-D217 PolarHBondContact O-N 3.24Å
216	S	34	Very low	32	Very low	96 Å²	96	138.4 Å²	138.4	67%	0.671	73%	0.727	S	S	*	*	G	3₁₀ helix	trans	-62.2	-21	-175.8	37.2	0	0	0	0	114.3	Y218	S216-Y218 VanDerWaalsContact C-N 3.28Å; S216-Y218 PolarHBondContact O-N 3.39Å
217	D	33.6	Very low	32.5	Very low	126 Å²	126	140.3 Å²	140.3	67%	0.674	73%	0.726	S	S	*	*	G	3₁₀ helix	trans	-89.6	4.7	-155.2	-47.8	-20.2	0	0	0	113.1	S215	S215-D217 PolarHBondContact O-N 3.24Å
218	Y	31	Very low	33.1	Very low	187 Å²	187	138.6 Å²	138.6	73%	0.733	72%	0.717	S	S	*	*	G	3₁₀ helix	trans	-118.4	9.8	179.1	-81.5	-81	0	0	0	114.3	S216	S216-Y218 VanDerWaalsContact C-N 3.28Å; S216-Y218 PolarHBondContact O-N 3.39Å
219	K	34.4	Very low	33.4	Very low	174 Å²	174	140.8 Å²	140.8	76%	0.757	73%	0.728	S	S	*	*	S	Bend	trans	-81	-27.4	-178.3	-95.8	-176	174.8	178.7	0	115.5
220	E	31.1	Very low	33.6	Very low	184 Å²	184	141.3 Å²	141.3	86%	0.86	72%	0.723	S	S	*	*	G	3₁₀ helix	trans	-80.6	-22.8	-175.3	-71.2	-171.9	135.9	0	0	114.3	L222	E220-L222 VanDerWaalsContact C-N 3.28Å; E220-L222 PolarHBondContact O-N 3.38Å
221	S	33.3	Very low	33.8	Very low	121 Å²	121	145.3 Å²	145.3	85%	0.846	73%	0.726	S	S	*	*	G	3₁₀ helix	trans	-82.7	3.5	177.9	-115.9	0	0	0	0	114.9
222	L	38.9	Very low	33.8	Very low	113 Å²	113	147.4 Å²	147.4	59%	0.592	74%	0.736	S	S	*	*	G	3₁₀ helix	trans	-108.9	13.1	-178.1	-87.1	165.9	0	0	0	113.9	E220 D224 L225	E220-L222 VanDerWaalsContact C-N 3.28Å; E220-L222 PolarHBondContact O-N 3.38Å; L222-D224 VanDerWaalsContact C-N 3.26Å; L222-D224 PolarHBondContact O-N 3.41Å; L222-L225 HydrophobicContact CD2-CD1 3.71Å
223	M	29.9	Very low	34.5	Very low	180 Å²	180	147.3 Å²	147.3	89%	0.887	74%	0.735	S	S	*	*			trans	-79.4	8.1	-171.2	-128.6	177.9	-165.7	0	0	116.1
224	D	34.9	Very low	34.7	Very low	123 Å²	123	143.9 Å²	143.9	66%	0.658	73%	0.725	S	S	*	*			trans	-131	58.7	172.5	-166.1	22.1	0	0	0	113.6	L222	L222-D224 VanDerWaalsContact C-N 3.26Å; L222-D224 PolarHBondContact O-N 3.41Å
225	L	42.7	Very low	34.6	Very low	94 Å²	94	140.7 Å²	140.7	49%	0.492	72%	0.72	S	S	.	*			trans	-119.6	23.3	165.1	-69	-179.1	0	0	0	112.7	L222 H227 L228	L222-L225 HydrophobicContact CD2-CD1 3.71Å; L225-H227 PolarHBondContact O-N 2.71Å; L225-L228 HydrophobicContact CD2-CD1 3.95Å; L225-L228 PolarHBondContact O-N 2.81Å
226	S	32.3	Very low	35.1	Very low	89 Å²	89	142.4 Å²	142.4	62%	0.622	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57	-27.6	174.2	63.8	0	0	0	0	112.9	L228	S226-L228 PolarHBondContact O-N 3.48Å
227	H	36.6	Very low	35.4	Very low	158 Å²	158	144 Å²	144	73%	0.731	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.5	-11.8	-179.3	-78.2	-80.8	0	0	0	115.8	L225	L225-H227 PolarHBondContact O-N 2.71Å
228	L	35.3	Very low	36.3	Very low	118 Å²	118	143.8 Å²	143.8	62%	0.618	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98	-20.9	-175.7	-67.8	-176.3	0	0	0	115.2	L225 S226 K230	L225-L228 HydrophobicContact CD2-CD1 3.95Å; L225-L228 PolarHBondContact O-N 2.81Å; S226-L228 PolarHBondContact O-N 3.48Å; L228-K230 VanDerWaalsContact C-N 3.3Å; L228-K230 PolarHBondContact O-N 3.12Å
229	N	34.1	Very low	37.2	Very low	158 Å²	158	144.4 Å²	144.4	85%	0.845	74%	0.744	S	S	*	*	S	Bend	trans	-87.3	30.3	-173.6	-87.1	0.4	0	0	0	115.2
230	K	31.7	Very low	38.2	Very low	187 Å²	187	137.3 Å²	137.3	81%	0.813	72%	0.716	S	S	*	*			trans	-113.2	30.3	-179.5	-148	179.8	-176	177.7	0	114.7	L228	L228-K230 VanDerWaalsContact C-N 3.3Å; L228-K230 PolarHBondContact O-N 3.12Å
231	W	33.4	Very low	40	Very low	197 Å²	197	132 Å²	132	75%	0.746	69%	0.689	S	S	*	*			trans	-129.5	25.3	-174.9	-66.4	98.8	0	0	0	115.3
232	E	35.9	Very low	41.4	Very low	180 Å²	180	132.2 Å²	132.2	84%	0.841	68%	0.675	S	S	*	*	S	Bend	trans	-88	132.2	158.1	-68.5	-166.6	135.8	0	0	109.9
233	N	44.5	Very low	43.1	Very low	155 Å²	155	126.9 Å²	126.9	83%	0.829	65%	0.647	S	S	*	*			trans	73.7	77.7	176.5	-53.7	-53.9	0	0	0	118.7
234	I	33.5	Very low	44.9	Very low	130 Å²	130	125.2 Å²	125.2	67%	0.667	64%	0.642	S	S	*	*			trans	-137	136.6	146.3	-57.2	-177.6	0	0	0	109
235	P	34.5	Very low	46.4	Very low	115 Å²	115	124.2 Å²	124.2	75%	0.747	64%	0.64	S	S	*	*			trans	-65.2	166.8	-178	-22.2	34.5	0	0	0	115.4	T237	P235-T237 PolarHBondContact O-N 2.96Å; P235-T237 VanDerWaalsContact O-N 3.12Å
236	A	41.8	Very low	47.4	Very low	106 Å²	106	122.1 Å²	122.1	88%	0.876	63%	0.633	S	S	*	*	S	Bend	trans	-80.5	88.2	-174	0	0	0	0	0	114.1
237	T	40.3	Very low	48.9	Very low	130 Å²	130	120.4 Å²	120.4	80%	0.798	63%	0.629	S	S	*	*	S	Bend	trans	-137.4	136.5	152.7	46.5	0	0	0	0	110.5	P235	P235-T237 PolarHBondContact O-N 2.96Å; P235-T237 VanDerWaalsContact O-N 3.12Å
238	D	51.5	Low	49.9	Very low	120 Å²	120	118.8 Å²	118.8	64%	0.642	62%	0.62	S	S	*	*			trans	32.6	85.9	174.6	-168	39.6	0	0	0	118.7	S240	D238-S240 PolarHBondContact O-N 3.09Å; D238-S240 WeakPolarHBondContact OD1-CB 3.39Å; D238-S240 WeakPolarHBondContact OD2-CB 3.33Å; D238-S240 PolarHBondContact OD2-OG 2.78Å
239	R	50.3	Low	50.9	Low	200 Å²	200	116.4 Å²	116.4	76%	0.755	61%	0.61	S	S	*	*			trans	-77	74.8	164.6	-84.3	-167.7	175	123.1	-1.5	111.4
240	S	56.5	Low	52.2	Low	26 Å²	26	111 Å²	111	18%	0.182	58%	0.579	C	S	.	*			trans	-100.6	125.1	175.4	69	0	0	0	0	111.8	D238 K242 T249	D238-S240 PolarHBondContact O-N 3.09Å; D238-S240 WeakPolarHBondContact OD1-CB 3.39Å; D238-S240 WeakPolarHBondContact OD2-CB 3.33Å; D238-S240 PolarHBondContact OD2-OG 2.78Å; S240-K242 PolarHBondContact O-N 2.93Å; S240-T249 WeakPolarHBondContact OG-CG2 3.47Å
241	Y	67.8	Low	53.3	Low	73 Å²	73	109.6 Å²	109.6	29%	0.286	58%	0.575	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-90.5	105.1	-171	-60.9	-92.6	0	0	0	109.7	T249 F250 A253	Y241-T249 CarbonylContact O-C 3.53Å; Y241-F250 WeakPolarHBondContact CB-O 3.48Å; Y241-F250 WeakPolarHBondContact CD2-O 3.37Å; Y241-F250 PolarHBondContact N-O 3.4Å; Y241-F250 PolarHBondContact O-N 3.1Å; Y241-A253 HydrophobicContact CD1-CB 3.81Å; Y241-A253 HydrophobicContact CE1-CB 3.62Å; Y241-A253 HydrophobicContact CE2-CB 4.49Å; Y241-A253 HydrophobicContact CG-CB 4.33Å
242	K	64.3	Low	54.6	Low	125 Å²	125	105.7 Å²	105.7	54%	0.543	57%	0.565	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-89.4	146.4	-177.3	-61.7	-178	-177	176.8	0	111.5	S240 K248 T249 L256	S240-K242 PolarHBondContact O-N 2.93Å; K242-K248 CarbonylContact C-O 3.57Å; K242-K248 WeakPolarHBondContact CA-O 3.34Å; K242-T249 HydrophobicContact CG-CG2 4.16Å; K242-L256 VanDerWaalsContact O-CD2 3.28Å; K242-L256 WeakPolarHBondContact O-CD2 3.48Å
243	C	73	Confident	55.8	Low	1 Å²	1	98.5 Å²	98.5	1%	0.007	54%	0.536	C	S	.	.			trans	-93.2	115.3	172.3	-177.5	0	0	0	0	110.5	T245 C246 G247 K248 F250 L256 H259 H263	C243-T245 PolarHBondContact O-N 2.84Å; C243-T245 VanDerWaalsContact O-N 3.17Å; C243-C246 PolarHBondContact O-N 3.43Å; C243-C246 VanDerWaalsContact O-N 3.14Å; C243-C246 VanDerWaalsContact SG-SG 3.69Å; C243-G247 WeakPolarHBondContact O-CA 3.5Å; C243-G247 PolarHBondContact O-N 2.93Å; C243-K248 PolarHBondContact N-O 3.15Å; C243-F250 HydrophobicContact CB-CE2 4.37Å; C243-L256 HydrophobicContact CB-CD1 3.45Å; C243-L256 VanDerWaalsContact CB-CD1 3.45Å; C243-H259 VanDerWaalsContact SG-CD2 3.58Å; C243-H263 VanDerWaalsContact SG-CD2 3.58Å; C243-H263 PolarHBondContact SG-NE2 3.03Å; C243-H263 VanDerWaalsContact SG-NE2 3.42Å
244	D	68.9	Low	56.6	Low	145 Å²	145	94.3 Å²	94.3	78%	0.775	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-29	-174.3	-44.3	-63.6	0	0	0	112.9
245	T	65.3	Low	57.8	Low	101 Å²	101	89 Å²	89	62%	0.62	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-20.5	-179.7	-35.4	0	0	0	0	114.2	C243 H263	C243-T245 PolarHBondContact O-N 2.84Å; C243-T245 VanDerWaalsContact O-N 3.17Å; T245-H263 HydrophobicContact CG2-CB 4.17Å
246	C	63.3	Low	59.2	Low	51 Å²	51	84.4 Å²	84.4	35%	0.345	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-147.4	7.4	-172.2	74.6	0	0	0	0	115.5	C243 K248 H259	C243-C246 PolarHBondContact O-N 3.43Å; C243-C246 VanDerWaalsContact O-N 3.14Å; C243-C246 VanDerWaalsContact SG-SG 3.69Å; C246-K248 PolarHBondContact O-N 3.34Å; C246-H259 PolarHBondContact SG-NE2 3.42Å
247	G	63.7	Low	60.3	Low	53 Å²	53	82.7 Å²	82.7	55%	0.546	44%	0.443	S	S	.	.			trans	68.1	-4.9	-179.8	0	0	0	0	0	116	C243 T249	C243-G247 WeakPolarHBondContact O-CA 3.5Å; C243-G247 PolarHBondContact O-N 2.93Å; G247-T249 PolarHBondContact O-N 3.37Å
248	K	57.4	Low	61.3	Low	124 Å²	124	82.6 Å²	82.6	54%	0.539	43%	0.428	S	S	.	.			trans	-67.8	126.7	-173.1	-72	-176.8	180	-178	0	112.2	K242 C243 C246 F250	K242-K248 CarbonylContact C-O 3.57Å; K242-K248 WeakPolarHBondContact CA-O 3.34Å; C243-K248 PolarHBondContact N-O 3.15Å; C246-K248 PolarHBondContact O-N 3.34Å; K248-F250 HydrophobicContact CB-CE2 3.77Å; K248-F250 HydrophobicContact CB-CZ 3.97Å; K248-F250 WeakPolarHBondContact O-CD2 3.38Å; K248-F250 WeakPolarHBondContact O-CE2 3.34Å
249	T	58.1	Low	62	Low	67 Å²	67	77.9 Å²	77.9	41%	0.411	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	136.2	-179.6	-49.3	0	0	0	0	111.4	S240 Y241 K242 G247	S240-T249 WeakPolarHBondContact OG-CG2 3.47Å; Y241-T249 CarbonylContact O-C 3.53Å; K242-T249 HydrophobicContact CG-CG2 4.16Å; G247-T249 PolarHBondContact O-N 3.37Å
250	F	60.7	Low	62.2	Low	44 Å²	44	71.3 Å²	71.3	19%	0.193	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	140.5	177.5	-60.7	-86	0	0	0	110.6	Y241 C243 K248 Q252 A255 L256 H259	Y241-F250 WeakPolarHBondContact CB-O 3.48Å; Y241-F250 WeakPolarHBondContact CD2-O 3.37Å; Y241-F250 PolarHBondContact N-O 3.4Å; Y241-F250 PolarHBondContact O-N 3.1Å; C243-F250 HydrophobicContact CB-CE2 4.37Å; K248-F250 HydrophobicContact CB-CE2 3.77Å; K248-F250 HydrophobicContact CB-CZ 3.97Å; K248-F250 WeakPolarHBondContact O-CD2 3.38Å; K248-F250 WeakPolarHBondContact O-CE2 3.34Å; F250-Q252 PolarHBondContact O-N 3.31Å; F250-A255 HydrophobicContact CB-CB 4.16Å; F250-A255 HydrophobicContact CD1-CB 3.92Å; F250-A255 HydrophobicContact CG-CB 4.29Å; F250-L256 HydrophobicContact CB-CB 4.37Å; F250-L256 HydrophobicContact CD2-CB 3.96Å; F250-L256 HydrophobicContact CD2-CD1 3.96Å; F250-L256 HydrophobicContact CE2-CD1 4.16Å; F250-L256 HydrophobicContact CG-CB 4.36Å; F250-H259 HydrophobicContact CE1-CB 4.1Å; F250-H259 HydrophobicContact CE2-CB 3.79Å; F250-H259 AromaticContact CE2-CD2 3.58Å; F250-H259 AromaticContact CE2-CG 3.62Å; F250-H259 HydrophobicContact CZ-CB 3.48Å; F250-H259 VanDerWaalsContact CZ-CB 3.48Å; F250-H259 AromaticContact CZ-CD2 3.67Å; F250-H259 AromaticContact CZ-CG 3.27Å; F250-H259 AromaticContact CZ-ND1 3.69Å
251	H	54.4	Low	62.6	Low	159 Å²	159	72.7 Å²	72.7	74%	0.736	38%	0.381	S	S	*	.	S	Bend	trans	-77	-2.2	177	-52.2	-71.3	0	0	0	113.7
252	Q	60.8	Low	62.2	Low	115 Å²	115	74.6 Å²	74.6	54%	0.537	40%	0.395	S	S	.	.	S	Bend	trans	-142.3	132.3	179.6	-61.9	-177.1	3.3	0	0	111.6	F250 S254 A255 L256	F250-Q252 PolarHBondContact O-N 3.31Å; Q252-S254 VanDerWaalsContact C-N 3.25Å; Q252-S254 PolarHBondContact O-N 3.49Å; Q252-S254 PolarHBondContact OE1-OG 3.13Å; Q252-A255 HydrophobicContact CB-CB 4.34Å; Q252-A255 WeakPolarHBondContact O-CB 3.3Å; Q252-A255 PolarHBondContact O-N 2.84Å; Q252-L256 PolarHBondContact O-N 2.88Å; Q252-L256 VanDerWaalsContact O-N 3.17Å
253	A	60.2	Low	61.8	Low	28 Å²	28	72 Å²	72	23%	0.231	38%	0.384	C	S	.	.	H	α-helix	trans	-51.6	-41.4	173.9	0	0	0	0	0	113.1	Y241 A255 L256 T257	Y241-A253 HydrophobicContact CD1-CB 3.81Å; Y241-A253 HydrophobicContact CE1-CB 3.62Å; Y241-A253 HydrophobicContact CE2-CB 4.49Å; Y241-A253 HydrophobicContact CG-CB 4.33Å; A253-A255 VanDerWaalsContact C-N 3.27Å; A253-A255 PolarHBondContact O-N 2.69Å; A253-L256 CarbonylContact O-C 3.6Å; A253-L256 WeakPolarHBondContact O-CB 3.42Å; A253-L256 PolarHBondContact O-N 2.99Å; A253-L256 VanDerWaalsContact O-N 3.11Å; A253-T257 PolarHBondContact O-N 3.09Å; A253-T257 PolarHBondContact O-OG1 3.19Å; A253-T257 VanDerWaalsContact O-OG1 3.07Å
254	S	61.8	Low	60.9	Low	68 Å²	68	75.6 Å²	75.6	48%	0.476	41%	0.407	S	S	.	.	H	α-helix	trans	-60.9	-33.6	177.5	52.2	0	0	0	0	113.2	Q252 R258	Q252-S254 VanDerWaalsContact C-N 3.25Å; Q252-S254 PolarHBondContact O-N 3.49Å; Q252-S254 PolarHBondContact OE1-OG 3.13Å; S254-R258 VanDerWaalsContact O-CB 3.27Å; S254-R258 WeakPolarHBondContact O-CB 3.23Å; S254-R258 PolarHBondContact O-N 3.21Å; S254-R258 VanDerWaalsContact O-N 3.1Å
255	A	59	Low	60.2	Low	17 Å²	17	76.5 Å²	76.5	14%	0.14	40%	0.399	C	S	.	.	H	α-helix	trans	-73.2	-38.5	174.6	0	0	0	0	0	111.4	F250 Q252 A253 H259	F250-A255 HydrophobicContact CB-CB 4.16Å; F250-A255 HydrophobicContact CD1-CB 3.92Å; F250-A255 HydrophobicContact CG-CB 4.29Å; Q252-A255 HydrophobicContact CB-CB 4.34Å; Q252-A255 WeakPolarHBondContact O-CB 3.3Å; Q252-A255 PolarHBondContact O-N 2.84Å; A253-A255 VanDerWaalsContact C-N 3.27Å; A253-A255 PolarHBondContact O-N 2.69Å; A255-H259 VanDerWaalsContact O-CB 3.31Å; A255-H259 WeakPolarHBondContact O-CB 3.5Å; A255-H259 PolarHBondContact O-N 3.02Å
256	L	64.8	Low	59.5	Low	19 Å²	19	76.4 Å²	76.4	10%	0.099	39%	0.392	C	S	.	.	H	α-helix	trans	-62.5	-50.9	171.6	172.2	60.9	0	0	0	111.7	K242 C243 F250 Q252 A253 R258 H259 Q260	K242-L256 VanDerWaalsContact O-CD2 3.28Å; K242-L256 WeakPolarHBondContact O-CD2 3.48Å; C243-L256 HydrophobicContact CB-CD1 3.45Å; C243-L256 VanDerWaalsContact CB-CD1 3.45Å; F250-L256 HydrophobicContact CB-CB 4.37Å; F250-L256 HydrophobicContact CD2-CB 3.96Å; F250-L256 HydrophobicContact CD2-CD1 3.96Å; F250-L256 HydrophobicContact CE2-CD1 4.16Å; F250-L256 HydrophobicContact CG-CB 4.36Å; Q252-L256 PolarHBondContact O-N 2.88Å; Q252-L256 VanDerWaalsContact O-N 3.17Å; A253-L256 CarbonylContact O-C 3.6Å; A253-L256 WeakPolarHBondContact O-CB 3.42Å; A253-L256 PolarHBondContact O-N 2.99Å; A253-L256 VanDerWaalsContact O-N 3.11Å; L256-R258 VanDerWaalsContact C-N 3.28Å; L256-R258 PolarHBondContact O-N 2.85Å; L256-H259 CarbonylContact O-C 3.49Å; L256-H259 WeakPolarHBondContact O-CA 3.32Å; L256-H259 WeakPolarHBondContact O-CB 3.27Å; L256-H259 PolarHBondContact O-N 3.49Å; L256-Q260 HydrophobicContact CD1-CG 3.98Å; L256-Q260 HydrophobicContact CG-CG 4.39Å; L256-Q260 WeakPolarHBondContact O-CG 3.37Å; L256-Q260 PolarHBondContact O-N 3.27Å
257	T	63.1	Low	59.5	Low	71 Å²	71	80 Å²	80	44%	0.436	40%	0.401	S	S	.	.	H	α-helix	trans	-59	-40.2	178.1	-51.6	0	0	0	0	111.9	A253 H259 Q260	A253-T257 PolarHBondContact O-N 3.09Å; A253-T257 PolarHBondContact O-OG1 3.19Å; A253-T257 VanDerWaalsContact O-OG1 3.07Å; T257-H259 VanDerWaalsContact C-N 3.3Å; T257-H259 PolarHBondContact O-N 3.35Å; T257-Q260 PolarHBondContact O-N 3.07Å
258	R	62.8	Low	59.7	Low	128 Å²	128	80.6 Å²	80.6	48%	0.483	40%	0.396	S	S	.	.	H	α-helix	trans	-66.6	-31.4	173.8	-176.7	177.2	65	-174.4	-4.7	112.5	S254 L256 Q280	S254-R258 VanDerWaalsContact O-CB 3.27Å; S254-R258 WeakPolarHBondContact O-CB 3.23Å; S254-R258 PolarHBondContact O-N 3.21Å; S254-R258 VanDerWaalsContact O-N 3.1Å; L256-R258 VanDerWaalsContact C-N 3.28Å; L256-R258 PolarHBondContact O-N 2.85Å; R258-Q280 HydrophobicContact CG-CG 4.23Å
259	H	65.1	Low	60.2	Low	21 Å²	21	78.4 Å²	78.4	10%	0.097	39%	0.385	C	S	.	.	H	α-helix	trans	-75	-40.3	176	176.1	70.3	0	0	0	112.4	C243 C246 F250 A255 L256 T257 R261 I262 H263	C243-H259 VanDerWaalsContact SG-CD2 3.58Å; C246-H259 PolarHBondContact SG-NE2 3.42Å; F250-H259 HydrophobicContact CE1-CB 4.1Å; F250-H259 HydrophobicContact CE2-CB 3.79Å; F250-H259 AromaticContact CE2-CD2 3.58Å; F250-H259 AromaticContact CE2-CG 3.62Å; F250-H259 HydrophobicContact CZ-CB 3.48Å; F250-H259 VanDerWaalsContact CZ-CB 3.48Å; F250-H259 AromaticContact CZ-CD2 3.67Å; F250-H259 AromaticContact CZ-CG 3.27Å; F250-H259 AromaticContact CZ-ND1 3.69Å; A255-H259 VanDerWaalsContact O-CB 3.31Å; A255-H259 WeakPolarHBondContact O-CB 3.5Å; A255-H259 PolarHBondContact O-N 3.02Å; L256-H259 CarbonylContact O-C 3.49Å; L256-H259 WeakPolarHBondContact O-CA 3.32Å; L256-H259 WeakPolarHBondContact O-CB 3.27Å; L256-H259 PolarHBondContact O-N 3.49Å; T257-H259 VanDerWaalsContact C-N 3.3Å; T257-H259 PolarHBondContact O-N 3.35Å; H259-R261 PolarHBondContact O-N 3.44Å; H259-I262 VanDerWaalsContact O-CB 3.23Å; H259-I262 WeakPolarHBondContact O-CB 3.42Å; H259-I262 VanDerWaalsContact O-CG1 3.32Å; H259-I262 WeakPolarHBondContact O-CG1 3.29Å; H259-I262 PolarHBondContact O-N 3.18Å; H259-H263 AromaticContact CD2-NE2 3.91Å; H259-H263 AromaticContact NE2-CE1 3.94Å; H259-H263 AromaticContact NE2-NE2 3.23Å; H259-H263 PolarHBondContact NE2-NE2 3.46Å
260	Q	55.6	Low	60.5	Low	62 Å²	62	82.3 Å²	82.3	29%	0.29	40%	0.396	S	S	.	.	H	α-helix	trans	-57.1	-31.6	178.1	-75.6	166.5	-41.8	0	0	112.7	L256 T257 I262 H263 T264	L256-Q260 HydrophobicContact CD1-CG 3.98Å; L256-Q260 HydrophobicContact CG-CG 4.39Å; L256-Q260 WeakPolarHBondContact O-CG 3.37Å; L256-Q260 PolarHBondContact O-N 3.27Å; T257-Q260 PolarHBondContact O-N 3.07Å; Q260-I262 PolarHBondContact O-N 3.05Å; Q260-H263 WeakPolarHBondContact O-CB 3.24Å; Q260-H263 PolarHBondContact O-N 3.15Å; Q260-T264 PolarHBondContact O-N 3.29Å; Q260-T264 VanDerWaalsContact O-N 3.07Å
261	R	65.4	Low	61.1	Low	54 Å²	54	80.4 Å²	80.4	20%	0.204	39%	0.388	C	S	.	.	H	α-helix	trans	-59.1	-16.1	172.1	-64.3	178.7	-175.7	169	2.4	114.9	H259 R265 E266 S279	H259-R261 PolarHBondContact O-N 3.44Å; R261-R265 WeakPolarHBondContact O-CA 3.45Å; R261-R265 PolarHBondContact O-N 3.07Å; R261-E266 HydrophobicContact CB-CB 4.46Å; R261-E266 HydrophobicContact CG-CB 4.22Å; R261-E266 PolarHBondContact O-N 3.3Å; R261-S279 PolarHBondContact NH1-O 3.48Å
262	I	59	Low	61.9	Low	114 Å²	114	82.4 Å²	82.4	59%	0.585	40%	0.395	S	S	*	.	H	α-helix	trans	-72.6	-37.4	172.3	-59.3	176.9	0	0	0	110.1	H259 Q260	H259-I262 VanDerWaalsContact O-CB 3.23Å; H259-I262 WeakPolarHBondContact O-CB 3.42Å; H259-I262 VanDerWaalsContact O-CG1 3.32Å; H259-I262 WeakPolarHBondContact O-CG1 3.29Å; H259-I262 PolarHBondContact O-N 3.18Å; Q260-I262 PolarHBondContact O-N 3.05Å
263	H	56.3	Low	62.3	Low	69 Å²	69	82.3 Å²	82.3	32%	0.319	39%	0.394	S	S	.	.	H	α-helix	trans	-80.3	-46.8	179.9	-54.6	-50.8	0	0	0	111.5	C243 T245 H259 Q260 R265	C243-H263 VanDerWaalsContact SG-CD2 3.58Å; C243-H263 PolarHBondContact SG-NE2 3.03Å; C243-H263 VanDerWaalsContact SG-NE2 3.42Å; T245-H263 HydrophobicContact CG2-CB 4.17Å; H259-H263 AromaticContact CD2-NE2 3.91Å; H259-H263 AromaticContact NE2-CE1 3.94Å; H259-H263 AromaticContact NE2-NE2 3.23Å; H259-H263 PolarHBondContact NE2-NE2 3.46Å; Q260-H263 WeakPolarHBondContact O-CB 3.24Å; Q260-H263 PolarHBondContact O-N 3.15Å; H263-R265 PolarHBondContact O-N 2.83Å
264	T	53.8	Low	62.6	Low	78 Å²	78	82.6 Å²	82.6	48%	0.479	39%	0.394	S	S	.	.	S	Bend	trans	-75.1	-8.5	178.6	66.2	0	0	0	0	113.6	Q260 E266	Q260-T264 PolarHBondContact O-N 3.29Å; Q260-T264 VanDerWaalsContact O-N 3.07Å; T264-E266 WeakPolarHBondContact CB-OE1 3.39Å; T264-E266 PolarHBondContact O-N 3.18Å; T264-E266 VanDerWaalsContact OG1-CG 3.31Å; T264-E266 WeakPolarHBondContact OG1-CG 3.37Å; T264-E266 PolarHBondContact OG1-OE1 3.2Å
265	R	52.7	Low	62.7	Low	164 Å²	164	87 Å²	87	62%	0.619	41%	0.407	S	S	*	.			trans	55.8	14.2	-173.9	-56.2	-172.6	-178.1	-143.9	-6	114.7	R261 H263 K267 Q400	R261-R265 WeakPolarHBondContact O-CA 3.45Å; R261-R265 PolarHBondContact O-N 3.07Å; H263-R265 PolarHBondContact O-N 2.83Å; R265-K267 PolarHBondContact O-N 3.05Å; R265-Q400 VanDerWaalsContact NH1-CD 3.3Å
266	E	50.8	Low	62.7	Low	98 Å²	98	91.1 Å²	91.1	46%	0.458	42%	0.422	S	S	.	.			trans	-58.7	132.1	179.7	-80.7	164.8	-127.5	0	0	112.5	R261 T264	R261-E266 HydrophobicContact CB-CB 4.46Å; R261-E266 HydrophobicContact CG-CB 4.22Å; R261-E266 PolarHBondContact O-N 3.3Å; T264-E266 WeakPolarHBondContact CB-OE1 3.39Å; T264-E266 PolarHBondContact O-N 3.18Å; T264-E266 VanDerWaalsContact OG1-CG 3.31Å; T264-E266 WeakPolarHBondContact OG1-CG 3.37Å; T264-E266 PolarHBondContact OG1-OE1 3.2Å
267	K	63.7	Low	62.7	Low	127 Å²	127	92 Å²	92	55%	0.552	43%	0.429	S	S	*	.			trans	-128.8	74.4	178.8	-73.4	165.5	169.3	-173.8	0	110.1	R265 Y269 S277 F278	R265-K267 PolarHBondContact O-N 3.05Å; K267-Y269 PolarHBondContact O-N 3.27Å; K267-S277 WeakPolarHBondContact CD-O 3.48Å; K267-F278 CarbonylContact C-O 3.27Å; K267-F278 VanDerWaalsContact CA-O 3.29Å; K267-F278 WeakPolarHBondContact CA-O 3.22Å
268	P	67.6	Low	62.9	Low	66 Å²	66	90.9 Å²	90.9	43%	0.429	42%	0.419	S	S	.	.			trans	-65.2	-22.7	-171.3	-22.6	35.3	0	0	0	114.3	K270	P268-K270 PolarHBondContact O-N 2.98Å
269	Y	68.9	Low	62.6	Low	77 Å²	77	86.8 Å²	86.8	30%	0.302	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	92.3	-171.4	-54.5	-79.3	0	0	0	110.5	K267 F278 Q280 S281	K267-Y269 PolarHBondContact O-N 3.27Å; Y269-F278 WeakPolarHBondContact CD2-O 3.29Å; Y269-F278 PolarHBondContact N-O 3.44Å; Y269-F278 PolarHBondContact O-N 3.4Å; Y269-Q280 VanDerWaalsContact CD2-CA 3.49Å; Y269-S281 VanDerWaalsContact CD2-N 3.33Å
270	K	64.4	Low	62.6	Low	150 Å²	150	88.7 Å²	88.7	65%	0.652	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.9	138.2	178.5	-50.8	-160.4	177.7	176.9	0	112.1	P268 S277 L284	P268-K270 PolarHBondContact O-N 2.98Å; K270-S277 WeakPolarHBondContact CG-OG 3.45Å; K270-L284 WeakPolarHBondContact O-CD2 3.48Å
271	C	72.6	Confident	62.8	Low	3 Å²	3	88.7 Å²	88.7	2%	0.02	43%	0.426	C	S	.	.			trans	-78.2	129.1	167.1	-177.8	0	0	0	0	109.8	E273 E275 K276 L284 H291	C271-E273 VanDerWaalsContact C-N 3.32Å; C271-E273 PolarHBondContact SG-N 2.84Å; C271-E275 WeakPolarHBondContact O-CA 3.32Å; C271-E275 PolarHBondContact O-N 3.22Å; C271-K276 WeakPolarHBondContact CB-O 3.36Å; C271-K276 PolarHBondContact N-O 3.01Å; C271-L284 HydrophobicContact CB-CD1 3.69Å; C271-H291 PolarHBondContact SG-NE2 3.46Å
272	K	71.4	Confident	62.7	Low	202 Å²	202	89.4 Å²	89.4	88%	0.878	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-19.8	177.9	-63.2	-167.9	176.4	-171.2	0	113.4
273	E	68.5	Low	62.9	Low	113 Å²	113	85.1 Å²	85.1	53%	0.528	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94	-19.8	-173.9	-66.1	135.2	177.5	0	0	113.6	C271 H291	C271-E273 VanDerWaalsContact C-N 3.32Å; C271-E273 PolarHBondContact SG-N 2.84Å; E273-H291 IonicContact OE2-CD2 3.42Å; E273-H291 PolarHBondContact OE2-CD2 3.23Å; E273-H291 IonicContact OE2-CG 2.67Å
274	C	67.4	Low	63.4	Low	34 Å²	34	82.9 Å²	82.9	23%	0.23	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	-149.9	16.7	178.3	75.4	0	0	0	0	114.5	K276 H287 H291	C274-K276 PolarHBondContact O-N 2.91Å; C274-H287 PolarHBondContact SG-NE2 3.07Å; C274-H291 PolarHBondContact SG-CE1 3.25Å; C274-H291 PolarHBondContact SG-NE2 3.47Å
275	E	64.6	Low	63.9	Low	159 Å²	159	82.7 Å²	82.7	74%	0.743	41%	0.411	S	S	*	.			trans	60.1	-4.7	175.5	-53.2	-171.2	147.8	0	0	116.7	C271 S277	C271-E275 WeakPolarHBondContact O-CA 3.32Å; C271-E275 PolarHBondContact O-N 3.22Å; E275-S277 PolarHBondContact O-N 2.72Å; E275-S277 PolarHBondContact O-OG 2.92Å; E275-S277 VanDerWaalsContact O-OG 3.09Å
276	K	58.7	Low	64.3	Low	104 Å²	104	79.9 Å²	79.9	45%	0.452	40%	0.401	S	S	.	.			trans	-57.1	124.5	177.7	-73.5	177.2	-175.3	169.4	0	110.4	C271 C274 F278	C271-K276 WeakPolarHBondContact CB-O 3.36Å; C271-K276 PolarHBondContact N-O 3.01Å; C274-K276 PolarHBondContact O-N 2.91Å; K276-F278 HydrophobicContact CB-CE2 3.88Å; K276-F278 HydrophobicContact CB-CZ 4Å; K276-F278 WeakPolarHBondContact O-CD2 3.44Å; K276-F278 VanDerWaalsContact O-CE2 3.25Å; K276-F278 WeakPolarHBondContact O-CE2 3.36Å
277	S	64.4	Low	65.1	Low	37 Å²	37	76.1 Å²	76.1	26%	0.259	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	136.3	-173.2	-57.1	0	0	0	0	111	K267 K270 E275	K267-S277 WeakPolarHBondContact CD-O 3.48Å; K270-S277 WeakPolarHBondContact CG-OG 3.45Å; E275-S277 PolarHBondContact O-N 2.72Å; E275-S277 PolarHBondContact O-OG 2.92Å; E275-S277 VanDerWaalsContact O-OG 3.09Å
278	F	66.6	Low	64.9	Low	48 Å²	48	74.2 Å²	74.2	21%	0.211	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	150.3	-175	-58.7	-89.3	0	0	0	111.7	K267 Y269 K276 Q280 L284 H287	K267-F278 CarbonylContact C-O 3.27Å; K267-F278 VanDerWaalsContact CA-O 3.29Å; K267-F278 WeakPolarHBondContact CA-O 3.22Å; Y269-F278 WeakPolarHBondContact CD2-O 3.29Å; Y269-F278 PolarHBondContact N-O 3.44Å; Y269-F278 PolarHBondContact O-N 3.4Å; K276-F278 HydrophobicContact CB-CE2 3.88Å; K276-F278 HydrophobicContact CB-CZ 4Å; K276-F278 WeakPolarHBondContact O-CD2 3.44Å; K276-F278 VanDerWaalsContact O-CE2 3.25Å; K276-F278 WeakPolarHBondContact O-CE2 3.36Å; F278-Q280 VanDerWaalsContact C-N 3.33Å; F278-L284 HydrophobicContact CB-CB 4.42Å; F278-L284 HydrophobicContact CD2-CB 3.99Å; F278-L284 HydrophobicContact CD2-CD1 3.89Å; F278-L284 HydrophobicContact CE2-CD1 4.08Å; F278-L284 HydrophobicContact CG-CB 4.41Å; F278-H287 HydrophobicContact CE1-CB 4.09Å; F278-H287 HydrophobicContact CE2-CB 3.8Å; F278-H287 AromaticContact CE2-CD2 3.35Å; F278-H287 WeakPolarHBondContact CE2-CD2 3.4Å; F278-H287 AromaticContact CE2-CG 3.54Å; F278-H287 HydrophobicContact CZ-CB 3.49Å; F278-H287 VanDerWaalsContact CZ-CB 3.49Å; F278-H287 AromaticContact CZ-CD2 3.52Å; F278-H287 AromaticContact CZ-CG 3.24Å; F278-H287 AromaticContact CZ-ND1 3.72Å
279	S	57	Low	64.7	Low	43 Å²	43	75.7 Å²	75.7	30%	0.301	37%	0.372	S	S	.	.	S	Bend	trans	-80.8	-10.6	177.9	55.6	0	0	0	0	114.2	R261	R261-S279 PolarHBondContact NH1-O 3.48Å
280	Q	64.8	Low	64.1	Low	61 Å²	61	77.7 Å²	77.7	29%	0.285	39%	0.386	S	S	.	.	S	Bend	trans	-139	141.9	-178.5	-57	-177.5	28.6	0	0	111.5	R258 Y269 F278 S283 L284	R258-Q280 HydrophobicContact CG-CG 4.23Å; Y269-Q280 VanDerWaalsContact CD2-CA 3.49Å; F278-Q280 VanDerWaalsContact C-N 3.33Å; Q280-S283 WeakPolarHBondContact O-CB 3.28Å; Q280-S283 PolarHBondContact O-N 3.13Å; Q280-L284 PolarHBondContact O-N 3.14Å
281	S	60.2	Low	64	Low	62 Å²	62	73.9 Å²	73.9	43%	0.434	37%	0.371	S	S	.	.	H	α-helix	trans	-62.8	-41.8	178.7	50.2	0	0	0	0	112.5	Y269 S283 L284 S285	Y269-S281 VanDerWaalsContact CD2-N 3.33Å; S281-S283 VanDerWaalsContact C-N 3.26Å; S281-S283 PolarHBondContact O-N 2.98Å; S281-L284 WeakPolarHBondContact O-CB 3.25Å; S281-L284 PolarHBondContact O-N 3.42Å; S281-L284 VanDerWaalsContact O-N 3.08Å; S281-S285 PolarHBondContact O-N 3.06Å; S281-S285 PolarHBondContact O-OG 2.96Å
282	S	62.6	Low	62.7	Low	68 Å²	68	77.1 Å²	77.1	48%	0.476	39%	0.39	S	S	.	.	H	α-helix	trans	-56.3	-38.8	175.1	53.2	0	0	0	0	112.9	S285 R286	S282-S285 PolarHBondContact O-N 3.4Å; S282-R286 WeakPolarHBondContact O-CB 3.45Å; S282-R286 PolarHBondContact O-N 2.98Å
283	S	65	Low	61.7	Low	25 Å²	25	78.3 Å²	78.3	18%	0.175	39%	0.389	C	S	.	.	H	α-helix	trans	-67.9	-39.2	175.6	-64.9	0	0	0	0	112.2	Q280 S281 H287	Q280-S283 WeakPolarHBondContact O-CB 3.28Å; Q280-S283 PolarHBondContact O-N 3.13Å; S281-S283 VanDerWaalsContact C-N 3.26Å; S281-S283 PolarHBondContact O-N 2.98Å; S283-H287 VanDerWaalsContact O-CB 3.29Å; S283-H287 WeakPolarHBondContact O-CB 3.02Å; S283-H287 PolarHBondContact O-N 2.91Å
284	L	66.1	Low	60.4	Low	22 Å²	22	79 Å²	79	12%	0.115	39%	0.393	C	S	.	.	H	α-helix	trans	-65.4	-45.6	172.4	173.6	61.7	0	0	0	111.3	K270 C271 F278 Q280 S281 R286 H287 K288	K270-L284 WeakPolarHBondContact O-CD2 3.48Å; C271-L284 HydrophobicContact CB-CD1 3.69Å; F278-L284 HydrophobicContact CB-CB 4.42Å; F278-L284 HydrophobicContact CD2-CB 3.99Å; F278-L284 HydrophobicContact CD2-CD1 3.89Å; F278-L284 HydrophobicContact CE2-CD1 4.08Å; F278-L284 HydrophobicContact CG-CB 4.41Å; Q280-L284 PolarHBondContact O-N 3.14Å; S281-L284 WeakPolarHBondContact O-CB 3.25Å; S281-L284 PolarHBondContact O-N 3.42Å; S281-L284 VanDerWaalsContact O-N 3.08Å; L284-R286 VanDerWaalsContact C-N 3.32Å; L284-R286 PolarHBondContact O-N 2.92Å; L284-H287 WeakPolarHBondContact O-CA 3.44Å; L284-H287 WeakPolarHBondContact O-CB 3.11Å; L284-H287 PolarHBondContact O-N 3.18Å; L284-K288 HydrophobicContact CD1-CG 4.31Å; L284-K288 PolarHBondContact O-N 2.91Å
285	S	64.7	Low	59.3	Low	74 Å²	74	83 Å²	83	52%	0.517	41%	0.406	S	S	.	.	H	α-helix	trans	-62.4	-37.7	178.6	-59.7	0	0	0	0	112.5	S281 S282	S281-S285 PolarHBondContact O-N 3.06Å; S281-S285 PolarHBondContact O-OG 2.96Å; S282-S285 PolarHBondContact O-N 3.4Å
286	R	60.3	Low	58.2	Low	105 Å²	105	77.4 Å²	77.4	40%	0.396	38%	0.384	S	S	.	.	H	α-helix	trans	-66.3	-40.2	170.8	-178.5	173.4	63	-159.7	-1.3	111.8	S282 L284 R289 Q315	S282-R286 WeakPolarHBondContact O-CB 3.45Å; S282-R286 PolarHBondContact O-N 2.98Å; L284-R286 VanDerWaalsContact C-N 3.32Å; L284-R286 PolarHBondContact O-N 2.92Å; R286-R289 WeakPolarHBondContact O-CB 3.39Å; R286-R289 PolarHBondContact O-N 3.43Å; R286-Q315 VanDerWaalsContact CD-OE1 3.29Å; R286-Q315 HydrophobicContact CG-CG 4.36Å
287	H	68.6	Low	57.7	Low	18 Å²	18	78.2 Å²	78.2	8%	0.083	39%	0.385	C	S	.	.	H	α-helix	trans	-65.5	-38.4	179.4	171	63.5	0	0	0	113.1	C274 F278 S283 L284 R289 I290 H291	C274-H287 PolarHBondContact SG-NE2 3.07Å; F278-H287 HydrophobicContact CE1-CB 4.09Å; F278-H287 HydrophobicContact CE2-CB 3.8Å; F278-H287 AromaticContact CE2-CD2 3.35Å; F278-H287 WeakPolarHBondContact CE2-CD2 3.4Å; F278-H287 AromaticContact CE2-CG 3.54Å; F278-H287 HydrophobicContact CZ-CB 3.49Å; F278-H287 VanDerWaalsContact CZ-CB 3.49Å; F278-H287 AromaticContact CZ-CD2 3.52Å; F278-H287 AromaticContact CZ-CG 3.24Å; F278-H287 AromaticContact CZ-ND1 3.72Å; S283-H287 VanDerWaalsContact O-CB 3.29Å; S283-H287 WeakPolarHBondContact O-CB 3.02Å; S283-H287 PolarHBondContact O-N 2.91Å; L284-H287 WeakPolarHBondContact O-CA 3.44Å; L284-H287 WeakPolarHBondContact O-CB 3.11Å; L284-H287 PolarHBondContact O-N 3.18Å; H287-R289 PolarHBondContact O-N 2.62Å; H287-R289 VanDerWaalsContact O-N 3.14Å; H287-I290 VanDerWaalsContact O-CB 3.27Å; H287-I290 WeakPolarHBondContact O-CB 3.17Å; H287-I290 WeakPolarHBondContact O-CG1 3.41Å; H287-I290 PolarHBondContact O-N 3.07Å; H287-H291 AromaticContact CE1-NE2 3.66Å; H287-H291 AromaticContact NE2-NE2 3.18Å; H287-H291 PolarHBondContact NE2-NE2 3.03Å; H287-H291 VanDerWaalsContact NE2-NE2 3.18Å
288	K	58.8	Low	56.3	Low	88 Å²	88	84.8 Å²	84.8	38%	0.383	41%	0.409	S	S	.	.	H	α-helix	trans	-57.4	-27.7	177.7	-74.8	-172.5	173.4	-163.4	0	114	L284 I290 H291 T292	L284-K288 HydrophobicContact CD1-CG 4.31Å; L284-K288 PolarHBondContact O-N 2.91Å; K288-I290 PolarHBondContact O-N 3.14Å; K288-I290 VanDerWaalsContact O-N 3.13Å; K288-H291 PolarHBondContact O-N 3.17Å; K288-T292 PolarHBondContact O-N 2.79Å
289	R	63.3	Low	55.1	Low	96 Å²	96	84.2 Å²	84.2	36%	0.362	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-17.6	174.9	-59	179.3	178.8	-174.6	-8.9	113.8	R286 H287 S314	R286-R289 WeakPolarHBondContact O-CB 3.39Å; R286-R289 PolarHBondContact O-N 3.43Å; H287-R289 PolarHBondContact O-N 2.62Å; H287-R289 VanDerWaalsContact O-N 3.14Å; R289-S314 PolarHBondContact NH1-O 3.29Å
290	I	57	Low	54.6	Low	119 Å²	119	90.8 Å²	90.8	61%	0.61	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-33.2	174.3	-57.9	178.1	0	0	0	110.5	H287 K288	H287-I290 VanDerWaalsContact O-CB 3.27Å; H287-I290 WeakPolarHBondContact O-CB 3.17Å; H287-I290 WeakPolarHBondContact O-CG1 3.41Å; H287-I290 PolarHBondContact O-N 3.07Å; K288-I290 PolarHBondContact O-N 3.14Å; K288-I290 VanDerWaalsContact O-N 3.13Å
291	H	60.3	Low	53.6	Low	71 Å²	71	91.7 Å²	91.7	33%	0.329	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-38	-177.7	-56.8	-51.9	0	0	0	112.5	C271 E273 C274 H287 K288 R293	C271-H291 PolarHBondContact SG-NE2 3.46Å; E273-H291 IonicContact OE2-CD2 3.42Å; E273-H291 PolarHBondContact OE2-CD2 3.23Å; E273-H291 IonicContact OE2-CG 2.67Å; C274-H291 PolarHBondContact SG-CE1 3.25Å; C274-H291 PolarHBondContact SG-NE2 3.47Å; H287-H291 AromaticContact CE1-NE2 3.66Å; H287-H291 AromaticContact NE2-NE2 3.18Å; H287-H291 PolarHBondContact NE2-NE2 3.03Å; H287-H291 VanDerWaalsContact NE2-NE2 3.18Å; K288-H291 PolarHBondContact O-N 3.17Å; H291-R293 PolarHBondContact O-N 3.42Å
292	T	46.6	Very low	52.9	Low	70 Å²	70	94.4 Å²	94.4	43%	0.429	47%	0.465	S	S	.	.	S	Bend	trans	-73.1	-6.8	-179.5	62.3	0	0	0	0	114.2	K288 E294	K288-T292 PolarHBondContact O-N 2.79Å; T292-E294 PolarHBondContact O-N 3.25Å; T292-E294 PolarHBondContact OG1-OE2 3.37Å
293	R	49.1	Very low	51.6	Low	227 Å²	227	96.9 Å²	96.9	86%	0.857	47%	0.473	S	S	*	.			trans	53	9.1	-173.1	-92.6	-173.6	175.2	-168.7	0.1	115.3	H291 K295	H291-R293 PolarHBondContact O-N 3.42Å; R293-K295 PolarHBondContact O-N 3.21Å
294	E	42.5	Very low	50.6	Low	128 Å²	128	105.7 Å²	105.7	60%	0.598	51%	0.508	S	S	*	.			trans	-65.9	100.2	178.9	-73.6	-179.2	118.4	0	0	110.7	T292 S296	T292-E294 PolarHBondContact O-N 3.25Å; T292-E294 PolarHBondContact OG1-OE2 3.37Å; E294-S296 PolarHBondContact O-N 3.17Å
295	K	43.9	Very low	49	Very low	119 Å²	119	109.2 Å²	109.2	52%	0.517	54%	0.535	S	S	.	.			trans	-68.5	70.6	168.1	-70.9	-170.4	179	-174.3	0	109.9	R293 Y297 D310	R293-K295 PolarHBondContact O-N 3.21Å; K295-Y297 PolarHBondContact O-N 2.97Å; K295-D310 IonicContact NZ-OD1 3Å; K295-D310 PolarHBondContact NZ-OD1 3.22Å; K295-D310 IonicContact NZ-OD2 3.93Å; K295-D310 PolarHBondContact NZ-OD2 2.84Å
296	S	41.9	Very low	47.4	Very low	40 Å²	40	108.9 Å²	108.9	28%	0.28	53%	0.532	S	S	.	.			trans	-63.9	127.2	169.9	-45.6	0	0	0	0	109.4	E294 C313	E294-S296 PolarHBondContact O-N 3.17Å; S296-C313 VanDerWaalsContact O-O 3.11Å
297	Y	47.1	Very low	46.1	Very low	121 Å²	121	111.2 Å²	111.2	48%	0.475	55%	0.552	S	S	.	*			trans	72.5	93.5	178.4	-40.1	-70.3	0	0	0	116.2	K295 V319	K295-Y297 PolarHBondContact O-N 2.97Å; Y297-V319 HydrophobicContact CG-CG2 4.33Å
298	K	35.4	Very low	44.4	Very low	175 Å²	175	114.3 Å²	114.3	76%	0.761	57%	0.572	S	S	*	*			trans	-79	155	158.7	-64.8	179.4	-179.9	178	0	110.1
299	C	40.9	Very low	43.3	Very low	36 Å²	36	116 Å²	116	24%	0.243	59%	0.592	C	S	.	*			trans	-110.4	120.3	168.1	-169.9	0	0	0	0	108	V301	C299-V301 VanDerWaalsContact C-N 3.3Å; C299-V301 PolarHBondContact O-N 3.38Å
300	E	46.8	Very low	42.2	Very low	182 Å²	182	117.1 Å²	117.1	85%	0.85	61%	0.605	S	S	*	*			trans	-88.1	6.6	-172.3	-67.5	173.5	156.4	0	0	113.8	S302	E300-S302 PolarHBondContact O-N 3.39Å; E300-S302 VanDerWaalsContact O-N 3.15Å
301	V	43.9	Very low	41.6	Very low	79 Å²	79	119.3 Å²	119.3	48%	0.479	61%	0.61	S	S	.	*			trans	-86.3	85.6	173.8	-171.6	0	0	0	0	109	C299 D303 H326	C299-V301 VanDerWaalsContact C-N 3.3Å; C299-V301 PolarHBondContact O-N 3.38Å; V301-D303 PolarHBondContact O-N 3.21Å; V301-H326 HydrophobicContact CG1-CB 4.35Å; V301-H326 PolarHBondContact O-CE1 3.33Å
302	S	45	Very low	40.7	Very low	119 Å²	119	119.7 Å²	119.7	83%	0.832	62%	0.621	S	S	*	*			trans	-81.7	90.4	168.2	55	0	0	0	0	109.7	E300	E300-S302 PolarHBondContact O-N 3.39Å; E300-S302 VanDerWaalsContact O-N 3.15Å
303	D	36.1	Very low	40.5	Very low	120 Å²	120	117.5 Å²	117.5	64%	0.642	61%	0.608	S	S	*	*			trans	-136.1	144.5	169.1	-141.4	-17.5	0	0	0	111.7	V301 S305	V301-D303 PolarHBondContact O-N 3.21Å; D303-S305 VanDerWaalsContact C-N 3.29Å; D303-S305 PolarHBondContact O-N 3.2Å
304	K	44.3	Very low	40.1	Very low	210 Å²	210	109.1 Å²	109.1	91%	0.913	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.5	57.5	-151.2	-60.1	176.5	-179	177	0	115
305	S	33.1	Very low	40.5	Very low	97 Å²	97	105.5 Å²	105.5	68%	0.678	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-140.4	12.4	176.1	61.9	0	0	0	0	114.7	D303	D303-S305 VanDerWaalsContact C-N 3.29Å; D303-S305 PolarHBondContact O-N 3.2Å
306	C	30.1	Very low	40.4	Very low	66 Å²	66	103.2 Å²	103.2	45%	0.446	57%	0.567	S	S	.	*			trans	-117.4	65.6	-178.3	-71.1	0	0	0	0	111.8	V308 H326	C306-V308 PolarHBondContact O-N 3.46Å; C306-H326 VanDerWaalsContact SG-CE1 3.53Å
307	D	33.3	Very low	40.5	Very low	154 Å²	154	104.5 Å²	104.5	82%	0.824	58%	0.575	S	S	*	*			trans	-74.4	56.9	175.5	-62.4	-55.5	0	0	0	113
308	V	33.3	Very low	40.6	Very low	84 Å²	84	101.1 Å²	101.1	51%	0.509	57%	0.565	S	S	.	*			trans	-136.4	86.1	161.1	-171.9	0	0	0	0	107.3	C306 D310 K311	C306-V308 PolarHBondContact O-N 3.46Å; V308-D310 PolarHBondContact O-N 3.36Å; V308-K311 HydrophobicContact CG1-CD 4.15Å; V308-K311 HydrophobicContact CG1-CG 4.07Å
309	P	35	Very low	41.4	Very low	122 Å²	122	93.3 Å²	93.3	79%	0.792	53%	0.532	S	S	*	.	S	Bend	trans	-58.1	139.2	167.3	26.1	-32.7	0	0	0	109.2
310	D	40	Very low	41.9	Very low	121 Å²	121	96.3 Å²	96.3	65%	0.647	55%	0.546	S	S	*	.			trans	61.3	62.3	179.5	-89.2	-34.7	0	0	0	118.2	K295 V308	K295-D310 IonicContact NZ-OD1 3Å; K295-D310 PolarHBondContact NZ-OD1 3.22Å; K295-D310 IonicContact NZ-OD2 3.93Å; K295-D310 PolarHBondContact NZ-OD2 2.84Å; V308-D310 PolarHBondContact O-N 3.36Å
311	K	45	Very low	42.3	Very low	164 Å²	164	91.5 Å²	91.5	71%	0.713	52%	0.523	S	S	*	.			trans	-97.9	83.3	145.6	-83.5	-179.6	178.1	166.6	0	111.9	V308 C313	V308-K311 HydrophobicContact CG1-CD 4.15Å; V308-K311 HydrophobicContact CG1-CG 4.07Å; K311-C313 PolarHBondContact O-N 3.04Å; K311-C313 VanDerWaalsContact O-N 3.15Å
312	S	41.9	Very low	42.9	Very low	80 Å²	80	91 Å²	91	56%	0.559	52%	0.515	S	S	*	.			trans	-62.4	108.6	165.1	48.5	0	0	0	0	110.5	S314	S312-S314 PolarHBondContact O-N 3.23Å
313	C	41.2	Very low	43.2	Very low	23 Å²	23	90.4 Å²	90.4	16%	0.155	50%	0.498	C	S	.	.			trans	-77.8	113.2	179.3	-76.8	0	0	0	0	110.8	S296 K311 Q315 D318 V319	S296-C313 VanDerWaalsContact O-O 3.11Å; K311-C313 PolarHBondContact O-N 3.04Å; K311-C313 VanDerWaalsContact O-N 3.15Å; C313-Q315 PolarHBondContact O-N 3.19Å; C313-D318 HydrophobicContact CB-CB 4.05Å; C313-V319 HydrophobicContact CB-CG2 3.3Å
314	S	41	Very low	44.2	Very low	51 Å²	51	91.4 Å²	91.4	36%	0.357	50%	0.497	S	S	.	.	S	Bend	trans	-70.9	-8.7	-177.2	69.1	0	0	0	0	115.3	R289 S312	R289-S314 PolarHBondContact NH1-O 3.29Å; S312-S314 PolarHBondContact O-N 3.23Å
315	Q	50.4	Low	44.6	Very low	53 Å²	53	85 Å²	85	25%	0.248	48%	0.483	C	S	.	.	S	Bend	trans	-143.3	149.5	-174.3	-54.4	166.9	108.6	0	0	112.4	R286 C313 S317 D318 V319	R286-Q315 VanDerWaalsContact CD-OE1 3.29Å; R286-Q315 HydrophobicContact CG-CG 4.36Å; C313-Q315 PolarHBondContact O-N 3.19Å; Q315-S317 VanDerWaalsContact C-N 3.29Å; Q315-S317 WeakPolarHBondContact CB-OG 3.31Å; Q315-S317 PolarHBondContact O-N 3.26Å; Q315-D318 WeakPolarHBondContact CB-OD2 3.29Å; Q315-D318 PolarHBondContact NE2-OD1 2.97Å; Q315-D318 PolarHBondContact NE2-OD2 3.08Å; Q315-D318 WeakPolarHBondContact O-CB 3.18Å; Q315-D318 PolarHBondContact O-N 2.95Å; Q315-V319 PolarHBondContact O-N 3.21Å
316	S	42.2	Very low	45.5	Very low	71 Å²	71	82.4 Å²	82.4	50%	0.497	46%	0.46	S	S	.	.	H	α-helix	trans	-59.5	-35.4	175.3	175.6	0	0	0	0	113.1	D318 V319 L320	S316-D318 PolarHBondContact O-N 3.45Å; S316-V319 PolarHBondContact O-N 3.26Å; S316-L320 WeakPolarHBondContact O-CB 3.35Å; S316-L320 PolarHBondContact O-N 3.31Å
317	S	44	Very low	46.5	Very low	66 Å²	66	81.8 Å²	81.8	46%	0.462	46%	0.46	S	S	.	.	H	α-helix	trans	-57.3	-37.5	173	52.1	0	0	0	0	113.1	Q315 L320 Q321	Q315-S317 VanDerWaalsContact C-N 3.29Å; Q315-S317 WeakPolarHBondContact CB-OG 3.31Å; Q315-S317 PolarHBondContact O-N 3.26Å; S317-L320 PolarHBondContact O-N 2.85Å; S317-Q321 WeakPolarHBondContact O-CB 3.35Å; S317-Q321 PolarHBondContact O-N 3.48Å
318	D	50.2	Low	47.5	Very low	50 Å²	50	85 Å²	85	27%	0.267	47%	0.466	S	S	.	.	H	α-helix	trans	-77.6	-37.2	-172.9	-51.7	-13.8	0	0	0	109	C313 Q315 S316 Q321 H322	C313-D318 HydrophobicContact CB-CB 4.05Å; Q315-D318 WeakPolarHBondContact CB-OD2 3.29Å; Q315-D318 PolarHBondContact NE2-OD1 2.97Å; Q315-D318 PolarHBondContact NE2-OD2 3.08Å; Q315-D318 WeakPolarHBondContact O-CB 3.18Å; Q315-D318 PolarHBondContact O-N 2.95Å; S316-D318 PolarHBondContact O-N 3.45Å; D318-Q321 PolarHBondContact O-N 2.82Å; D318-H322 VanDerWaalsContact O-CB 3.31Å; D318-H322 WeakPolarHBondContact O-CB 3.34Å; D318-H322 PolarHBondContact O-N 3.21Å
319	V	51.2	Low	48.5	Very low	11 Å²	11	84.4 Å²	84.4	7%	0.067	47%	0.47	C	S	.	.	H	α-helix	trans	-68	-40	170	175	0	0	0	0	112.3	Y297 C313 Q315 S316 Q321 H322 K323	Y297-V319 HydrophobicContact CG-CG2 4.33Å; C313-V319 HydrophobicContact CB-CG2 3.3Å; Q315-V319 PolarHBondContact O-N 3.21Å; S316-V319 PolarHBondContact O-N 3.26Å; V319-Q321 VanDerWaalsContact C-N 3.26Å; V319-Q321 PolarHBondContact O-N 3.46Å; V319-H322 PolarHBondContact O-N 2.95Å; V319-K323 HydrophobicContact CG1-CD 4.11Å; V319-K323 HydrophobicContact CG1-CG 4.23Å; V319-K323 WeakPolarHBondContact O-CB 3.25Å; V319-K323 WeakPolarHBondContact O-CG 3.46Å; V319-K323 PolarHBondContact O-N 2.86Å
320	L	52.8	Low	49.4	Very low	100 Å²	100	86.8 Å²	86.8	52%	0.524	47%	0.468	S	S	.	.	H	α-helix	trans	-64.8	-33.2	175	-169	68.3	0	0	0	111.7	S316 S317 K324	S316-L320 WeakPolarHBondContact O-CB 3.35Å; S316-L320 PolarHBondContact O-N 3.31Å; S317-L320 PolarHBondContact O-N 2.85Å; L320-K324 VanDerWaalsContact O-CG 3.3Å; L320-K324 WeakPolarHBondContact O-CG 3.5Å; L320-K324 PolarHBondContact O-N 2.8Å
321	Q	53.4	Low	50.4	Low	80 Å²	80	84.5 Å²	84.5	37%	0.374	46%	0.461	S	S	.	.	H	α-helix	trans	-74.3	-35.8	173.8	-167.3	178.5	-55.9	0	0	112.3	S317 D318 V319 K324 A325 R343	S317-Q321 WeakPolarHBondContact O-CB 3.35Å; S317-Q321 PolarHBondContact O-N 3.48Å; D318-Q321 PolarHBondContact O-N 2.82Å; V319-Q321 VanDerWaalsContact C-N 3.26Å; V319-Q321 PolarHBondContact O-N 3.46Å; Q321-K324 PolarHBondContact O-N 2.93Å; Q321-A325 PolarHBondContact O-N 2.79Å; Q321-R343 VanDerWaalsContact OE1-CZ 3.32Å; Q321-R343 VanDerWaalsContact OE1-NE 3.1Å
322	H	56.5	Low	51.3	Low	68 Å²	68	80.9 Å²	80.9	32%	0.315	44%	0.444	S	S	.	.	H	α-helix	trans	-68.6	-42.5	173.6	174.9	69.5	0	0	0	112.1	D318 V319 K324 A325 H326	D318-H322 VanDerWaalsContact O-CB 3.31Å; D318-H322 WeakPolarHBondContact O-CB 3.34Å; D318-H322 PolarHBondContact O-N 3.21Å; V319-H322 PolarHBondContact O-N 2.95Å; H322-K324 PolarHBondContact O-N 3.31Å; H322-A325 WeakPolarHBondContact O-CA 3.47Å; H322-A325 VanDerWaalsContact O-CB 3.32Å; H322-A325 WeakPolarHBondContact O-CB 3.48Å; H322-A325 PolarHBondContact O-N 3.27Å; H322-H326 AromaticContact CD2-CD2 3.92Å; H322-H326 AromaticContact CD2-NE2 3.66Å; H322-H326 AromaticContact CE1-NE2 3.26Å; H322-H326 PolarHBondContact CE1-NE2 2.81Å; H322-H326 VanDerWaalsContact CE1-NE2 3.26Å; H322-H326 AromaticContact NE2-CD2 3.71Å; H322-H326 AromaticContact NE2-NE2 2.97Å; H322-H326 PolarHBondContact NE2-NE2 3.39Å; H322-H326 PolarHBondContact O-CD2 2.83Å; H322-H326 PolarHBondContact O-N 3.1Å
323	K	53.3	Low	51.7	Low	108 Å²	108	83.9 Å²	83.9	47%	0.47	45%	0.447	S	S	.	.	H	α-helix	trans	-59.5	-31.4	172.1	-74.4	-177.5	175.4	-169.4	0	112.6	V319 A325 H326 A327	V319-K323 HydrophobicContact CG1-CD 4.11Å; V319-K323 HydrophobicContact CG1-CG 4.23Å; V319-K323 WeakPolarHBondContact O-CB 3.25Å; V319-K323 WeakPolarHBondContact O-CG 3.46Å; V319-K323 PolarHBondContact O-N 2.86Å; K323-A325 VanDerWaalsContact C-N 3.28Å; K323-A325 PolarHBondContact O-N 3.17Å; K323-H326 PolarHBondContact O-N 3.33Å; K323-A327 PolarHBondContact O-N 2.78Å; K323-A327 VanDerWaalsContact O-N 3.15Å
324	K	55.4	Low	52.5	Low	141 Å²	141	82.9 Å²	82.9	61%	0.613	44%	0.44	S	S	*	.	H	α-helix	trans	-73.5	-12.1	171.5	-73.7	170.6	-176.3	176.9	0	114.6	L320 Q321 H322	L320-K324 VanDerWaalsContact O-CG 3.3Å; L320-K324 WeakPolarHBondContact O-CG 3.5Å; L320-K324 PolarHBondContact O-N 2.8Å; Q321-K324 PolarHBondContact O-N 2.93Å; H322-K324 PolarHBondContact O-N 3.31Å
325	A	53.7	Low	53.2	Low	75 Å²	75	84.1 Å²	84.1	62%	0.62	46%	0.461	S	S	*	.	H	α-helix	trans	-86.3	-32.2	169.1	0	0	0	0	0	111.8	Q321 H322 K323	Q321-A325 PolarHBondContact O-N 2.79Å; H322-A325 WeakPolarHBondContact O-CA 3.47Å; H322-A325 VanDerWaalsContact O-CB 3.32Å; H322-A325 WeakPolarHBondContact O-CB 3.48Å; H322-A325 PolarHBondContact O-N 3.27Å; K323-A325 VanDerWaalsContact C-N 3.28Å; K323-A325 PolarHBondContact O-N 3.17Å
326	H	52.6	Low	53.2	Low	42 Å²	42	85.8 Å²	85.8	19%	0.194	48%	0.478	C	S	.	.	H	α-helix	trans	-67.8	-39.6	172.6	-72	-70.4	0	0	0	112.6	V301 C306 H322 K323 K328	V301-H326 HydrophobicContact CG1-CB 4.35Å; V301-H326 PolarHBondContact O-CE1 3.33Å; C306-H326 VanDerWaalsContact SG-CE1 3.53Å; H322-H326 AromaticContact CD2-CD2 3.92Å; H322-H326 AromaticContact CD2-NE2 3.66Å; H322-H326 AromaticContact CE1-NE2 3.26Å; H322-H326 PolarHBondContact CE1-NE2 2.81Å; H322-H326 VanDerWaalsContact CE1-NE2 3.26Å; H322-H326 AromaticContact NE2-CD2 3.71Å; H322-H326 AromaticContact NE2-NE2 2.97Å; H322-H326 PolarHBondContact NE2-NE2 3.39Å; H322-H326 PolarHBondContact O-CD2 2.83Å; H322-H326 PolarHBondContact O-N 3.1Å; K323-H326 PolarHBondContact O-N 3.33Å; H326-K328 PolarHBondContact O-N 3.15Å; H326-K328 VanDerWaalsContact O-N 3.16Å
327	A	51	Low	53.5	Low	54 Å²	54	85.1 Å²	85.1	45%	0.446	47%	0.473	S	S	.	.	S	Bend	trans	-67	111.9	166	0	0	0	0	0	109.4	K323 A329	K323-A327 PolarHBondContact O-N 2.78Å; K323-A327 VanDerWaalsContact O-N 3.15Å; A327-A329 PolarHBondContact O-N 3.34Å
328	K	53.3	Low	53.8	Low	221 Å²	221	89.8 Å²	89.8	96%	0.961	49%	0.487	S	S	*	.			trans	-61.2	16.2	173.2	-76.6	179.6	175.7	172.5	0	114.7	H326	H326-K328 PolarHBondContact O-N 3.15Å; H326-K328 VanDerWaalsContact O-N 3.16Å
329	A	53.4	Low	53.4	Low	72 Å²	72	95.5 Å²	95.5	60%	0.595	51%	0.505	S	S	*	.	S	Bend	trans	-114.8	115	-173.6	0	0	0	0	0	111.7	A327	A327-A329 PolarHBondContact O-N 3.34Å
330	K	54.3	Low	53.2	Low	172 Å²	172	99 Å²	99	75%	0.748	53%	0.526	S	S	*	.			trans	86.5	57.3	173.6	-55.1	177.2	-179.6	177	0	115.9	Y332	K330-Y332 WeakPolarHBondContact O-CE2 3.44Å
331	S	61.5	Low	53.4	Low	72 Å²	72	96.1 Å²	96.1	50%	0.503	51%	0.51	S	S	.	.			trans	-69	137	147.8	65.3	0	0	0	0	110.3	V340	S331-V340 VanDerWaalsContact CB-CG1 3.48Å
332	Y	63.6	Low	53.2	Low	89 Å²	89	96.8 Å²	96.8	35%	0.349	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	101.1	-175.3	-67.2	-85.9	0	0	0	109.3	K330 F341 R343 S344 L347	K330-Y332 WeakPolarHBondContact O-CE2 3.44Å; Y332-F341 PolarHBondContact N-O 2.97Å; Y332-F341 PolarHBondContact O-N 3.26Å; Y332-R343 VanDerWaalsContact CD2-C 3.42Å; Y332-S344 VanDerWaalsContact CD2-N 3.31Å; Y332-S344 VanDerWaalsContact CE2-N 3.35Å; Y332-L347 HydrophobicContact CD1-CD2 4.48Å
333	K	51.4	Low	53.3	Low	143 Å²	143	98 Å²	98	62%	0.622	53%	0.526	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.1	140.3	179.6	-57.2	-162.8	176.5	-174	0	111.7	V340 L347	K333-V340 HydrophobicContact CD-CG2 4.46Å; K333-V340 HydrophobicContact CG-CG1 4.43Å; K333-V340 HydrophobicContact CG-CG2 4.12Å; K333-L347 WeakPolarHBondContact O-CD2 3.23Å
334	C	56.4	Low	53.2	Low	2 Å²	2	95.3 Å²	95.3	1%	0.014	52%	0.52	C	S	.	.			trans	-82.8	126.1	169.2	-169.1	0	0	0	0	111.1	S336 E338 R339 F341 L347 H350 H354	C334-S336 VanDerWaalsContact C-N 3.26Å; C334-S336 PolarHBondContact O-N 2.97Å; C334-E338 WeakPolarHBondContact O-CA 3.42Å; C334-E338 PolarHBondContact O-N 3.26Å; C334-R339 PolarHBondContact N-O 2.8Å; C334-F341 HydrophobicContact CB-CE2 4.48Å; C334-L347 HydrophobicContact CB-CD1 3.62Å; C334-H350 VanDerWaalsContact SG-CD2 3.58Å; C334-H350 PolarHBondContact SG-NE2 3.23Å; C334-H350 VanDerWaalsContact SG-NE2 3.39Å; C334-H354 VanDerWaalsContact SG-CD2 3.58Å; C334-H354 PolarHBondContact SG-NE2 3.44Å; C334-H354 VanDerWaalsContact SG-NE2 3.38Å
335	G	56.1	Low	53.3	Low	77 Å²	77	93 Å²	93	79%	0.794	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-18.2	179.1	0	0	0	0	0	114.9
336	S	51.6	Low	53.5	Low	87 Å²	87	93 Å²	93	61%	0.608	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	-18.4	-175.2	-50.3	0	0	0	0	114.3	C334	C334-S336 VanDerWaalsContact C-N 3.26Å; C334-S336 PolarHBondContact O-N 2.97Å
337	C	48.9	Very low	53.9	Low	58 Å²	58	91.7 Å²	91.7	39%	0.392	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	-153	24	-180	74.8	0	0	0	0	113.4	R339 H350	C337-R339 PolarHBondContact O-N 3.2Å; C337-H350 VanDerWaalsContact SG-CE1 3.52Å; C337-H350 PolarHBondContact SG-NE2 3.19Å
338	E	49	Very low	54.2	Low	163 Å²	163	92.2 Å²	92.2	76%	0.762	50%	0.496	S	S	*	.			trans	54.3	-0.3	175.9	-54.4	-158.2	138.5	0	0	118.1	C334 V340	C334-E338 WeakPolarHBondContact O-CA 3.42Å; C334-E338 PolarHBondContact O-N 3.26Å; E338-V340 WeakPolarHBondContact O-CG2 3.48Å; E338-V340 PolarHBondContact O-N 3.22Å
339	R	42.2	Very low	54.3	Low	170 Å²	170	85 Å²	85	64%	0.642	47%	0.466	S	S	*	.			trans	-64.3	133.8	-171.9	-154.6	168.6	-168.4	142.3	0.9	111.3	C334 C337 F341	C334-R339 PolarHBondContact N-O 2.8Å; C337-R339 PolarHBondContact O-N 3.2Å; R339-F341 HydrophobicContact CB-CE2 3.96Å; R339-F341 HydrophobicContact CB-CZ 4.33Å; R339-F341 HydrophobicContact CG-CE2 4.17Å; R339-F341 HydrophobicContact CG-CZ 4.13Å; R339-F341 WeakPolarHBondContact O-CD2 3.35Å; R339-F341 WeakPolarHBondContact O-CE2 3.42Å
340	V	46.3	Very low	54.6	Low	84 Å²	84	82.9 Å²	82.9	51%	0.509	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	126.9	-167.1	-170.5	0	0	0	0	111.2	S331 K333 E338	S331-V340 VanDerWaalsContact CB-CG1 3.48Å; K333-V340 HydrophobicContact CD-CG2 4.46Å; K333-V340 HydrophobicContact CG-CG1 4.43Å; K333-V340 HydrophobicContact CG-CG2 4.12Å; E338-V340 WeakPolarHBondContact O-CG2 3.48Å; E338-V340 PolarHBondContact O-N 3.22Å
341	F	57.8	Low	54.8	Low	40 Å²	40	78.5 Å²	78.5	18%	0.175	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	143.9	-177.3	-61.1	-93.2	0	0	0	112	Y332 C334 R339 R343 H346 L347 H350	Y332-F341 PolarHBondContact N-O 2.97Å; Y332-F341 PolarHBondContact O-N 3.26Å; C334-F341 HydrophobicContact CB-CE2 4.48Å; R339-F341 HydrophobicContact CB-CE2 3.96Å; R339-F341 HydrophobicContact CB-CZ 4.33Å; R339-F341 HydrophobicContact CG-CE2 4.17Å; R339-F341 HydrophobicContact CG-CZ 4.13Å; R339-F341 WeakPolarHBondContact O-CD2 3.35Å; R339-F341 WeakPolarHBondContact O-CE2 3.42Å; F341-R343 VanDerWaalsContact C-N 3.26Å; F341-R343 PolarHBondContact O-N 3.39Å; F341-H346 HydrophobicContact CD1-CB 3.87Å; F341-H346 HydrophobicContact CG-CB 4.49Å; F341-L347 HydrophobicContact CB-CB 4.24Å; F341-L347 HydrophobicContact CD2-CB 4.04Å; F341-L347 HydrophobicContact CD2-CD1 3.84Å; F341-L347 HydrophobicContact CE2-CD1 4.08Å; F341-L347 HydrophobicContact CG-CB 4.25Å; F341-H350 HydrophobicContact CE1-CB 4.1Å; F341-H350 HydrophobicContact CE2-CB 4.08Å; F341-H350 AromaticContact CE2-CD2 3.25Å; F341-H350 WeakPolarHBondContact CE2-CD2 3.29Å; F341-H350 AromaticContact CE2-CG 3.78Å; F341-H350 AromaticContact CE2-NE2 3.99Å; F341-H350 HydrophobicContact CZ-CB 3.57Å; F341-H350 AromaticContact CZ-CD2 3.37Å; F341-H350 WeakPolarHBondContact CZ-CD2 3.5Å; F341-H350 AromaticContact CZ-CG 3.4Å
342	S	49.6	Very low	54.7	Low	95 Å²	95	83.5 Å²	83.5	66%	0.664	43%	0.434	S	S	*	.	S	Bend	trans	-79.5	-3.7	175.1	55.1	0	0	0	0	114.2
343	R	57.1	Low	54.2	Low	94 Å²	94	81.6 Å²	81.6	36%	0.355	43%	0.432	S	S	.	.	S	Bend	trans	-144.5	138.1	-178.1	-53.3	177.4	88.4	-172.1	11.2	110.9	Q321 Y332 F341 V345 H346 L347	Q321-R343 VanDerWaalsContact OE1-CZ 3.32Å; Q321-R343 VanDerWaalsContact OE1-NE 3.1Å; Y332-R343 VanDerWaalsContact CD2-C 3.42Å; F341-R343 VanDerWaalsContact C-N 3.26Å; F341-R343 PolarHBondContact O-N 3.39Å; R343-V345 VanDerWaalsContact C-N 3.33Å; R343-V345 PolarHBondContact O-N 2.97Å; R343-H346 HydrophobicContact CB-CB 4.48Å; R343-H346 PolarHBondContact NH1-NE2 2.87Å; R343-H346 VanDerWaalsContact NH1-NE2 3.2Å; R343-H346 PolarHBondContact O-N 2.84Å; R343-L347 PolarHBondContact O-N 3.2Å
344	S	53	Low	54.6	Low	51 Å²	51	78.5 Å²	78.5	36%	0.357	42%	0.419	S	S	.	.	H	α-helix	trans	-56.3	-44.6	172.6	52.8	0	0	0	0	112.3	Y332 H346 L347 T348	Y332-S344 VanDerWaalsContact CD2-N 3.31Å; Y332-S344 VanDerWaalsContact CE2-N 3.35Å; S344-H346 VanDerWaalsContact C-N 3.25Å; S344-H346 PolarHBondContact O-N 3.38Å; S344-L347 CarbonylContact O-C 3.36Å; S344-L347 WeakPolarHBondContact O-CA 3.27Å; S344-L347 WeakPolarHBondContact O-CB 3.33Å; S344-L347 PolarHBondContact O-N 3.46Å; S344-T348 PolarHBondContact O-N 2.73Å; S344-T348 PolarHBondContact O-OG1 3.09Å; S344-T348 VanDerWaalsContact O-OG1 3.11Å
345	V	57.3	Low	54.6	Low	91 Å²	91	87 Å²	87	55%	0.552	46%	0.456	S	S	*	.	H	α-helix	trans	-57.1	-38.8	-178.6	-177.2	0	0	0	0	112.1	R343 Q349	R343-V345 VanDerWaalsContact C-N 3.33Å; R343-V345 PolarHBondContact O-N 2.97Å; V345-Q349 WeakPolarHBondContact O-CB 3.46Å; V345-Q349 PolarHBondContact O-N 3.42Å
346	H	57.1	Low	54.3	Low	75 Å²	75	89.5 Å²	89.5	35%	0.347	45%	0.451	S	S	.	.	H	α-helix	trans	-75.1	-35.6	178.2	-62.9	-169.3	0	0	0	111.1	F341 R343 S344 H350	F341-H346 HydrophobicContact CD1-CB 3.87Å; F341-H346 HydrophobicContact CG-CB 4.49Å; R343-H346 HydrophobicContact CB-CB 4.48Å; R343-H346 PolarHBondContact NH1-NE2 2.87Å; R343-H346 VanDerWaalsContact NH1-NE2 3.2Å; R343-H346 PolarHBondContact O-N 2.84Å; S344-H346 VanDerWaalsContact C-N 3.25Å; S344-H346 PolarHBondContact O-N 3.38Å; H346-H350 VanDerWaalsContact O-CB 3.3Å; H346-H350 WeakPolarHBondContact O-CB 3.45Å; H346-H350 PolarHBondContact O-N 2.93Å
347	L	60.5	Low	54.3	Low	15 Å²	15	91.5 Å²	91.5	8%	0.079	46%	0.46	C	S	.	.	H	α-helix	trans	-62.4	-49	170.2	173.4	63.5	0	0	0	111.1	Y332 K333 C334 F341 R343 S344 Q349 H350 Q351	Y332-L347 HydrophobicContact CD1-CD2 4.48Å; K333-L347 WeakPolarHBondContact O-CD2 3.23Å; C334-L347 HydrophobicContact CB-CD1 3.62Å; F341-L347 HydrophobicContact CB-CB 4.24Å; F341-L347 HydrophobicContact CD2-CB 4.04Å; F341-L347 HydrophobicContact CD2-CD1 3.84Å; F341-L347 HydrophobicContact CE2-CD1 4.08Å; F341-L347 HydrophobicContact CG-CB 4.25Å; R343-L347 PolarHBondContact O-N 3.2Å; S344-L347 CarbonylContact O-C 3.36Å; S344-L347 WeakPolarHBondContact O-CA 3.27Å; S344-L347 WeakPolarHBondContact O-CB 3.33Å; S344-L347 PolarHBondContact O-N 3.46Å; L347-Q349 VanDerWaalsContact C-N 3.33Å; L347-Q349 PolarHBondContact O-N 2.75Å; L347-H350 CarbonylContact O-C 3.54Å; L347-H350 WeakPolarHBondContact O-CA 3.44Å; L347-H350 WeakPolarHBondContact O-CB 3.46Å; L347-H350 PolarHBondContact O-N 3.34Å; L347-H350 VanDerWaalsContact O-N 3.09Å; L347-Q351 HydrophobicContact CD1-CG 3.8Å; L347-Q351 HydrophobicContact CG-CG 4.12Å; L347-Q351 WeakPolarHBondContact O-CG 3.32Å; L347-Q351 PolarHBondContact O-N 3.44Å
348	T	58.2	Low	54.7	Low	65 Å²	65	90.4 Å²	90.4	40%	0.399	46%	0.455	S	S	.	.	H	α-helix	trans	-63.6	-38.1	-179.6	-54.1	0	0	0	0	111.6	S344 H350 Q351 R352	S344-T348 PolarHBondContact O-N 2.73Å; S344-T348 PolarHBondContact O-OG1 3.09Å; S344-T348 VanDerWaalsContact O-OG1 3.11Å; T348-H350 VanDerWaalsContact C-N 3.34Å; T348-Q351 PolarHBondContact O-N 3.5Å; T348-R352 WeakPolarHBondContact O-CG 3.44Å; T348-R352 PolarHBondContact O-N 3.38Å
349	Q	54.6	Low	55	Low	69 Å²	69	84.1 Å²	84.1	32%	0.322	43%	0.429	S	S	.	.	H	α-helix	trans	-63.9	-40.3	172.1	-176.5	176.2	0.5	0	0	111.7	V345 L347	V345-Q349 WeakPolarHBondContact O-CB 3.46Å; V345-Q349 PolarHBondContact O-N 3.42Å; L347-Q349 VanDerWaalsContact C-N 3.33Å; L347-Q349 PolarHBondContact O-N 2.75Å
350	H	60.4	Low	55.6	Low	29 Å²	29	81.8 Å²	81.8	13%	0.134	42%	0.423	C	S	.	.	H	α-helix	trans	-71	-37.2	175.4	167.5	59.3	0	0	0	113	C334 C337 F341 H346 L347 T348 R352 T353 H354	C334-H350 VanDerWaalsContact SG-CD2 3.58Å; C334-H350 PolarHBondContact SG-NE2 3.23Å; C334-H350 VanDerWaalsContact SG-NE2 3.39Å; C337-H350 VanDerWaalsContact SG-CE1 3.52Å; C337-H350 PolarHBondContact SG-NE2 3.19Å; F341-H350 HydrophobicContact CE1-CB 4.1Å; F341-H350 HydrophobicContact CE2-CB 4.08Å; F341-H350 AromaticContact CE2-CD2 3.25Å; F341-H350 WeakPolarHBondContact CE2-CD2 3.29Å; F341-H350 AromaticContact CE2-CG 3.78Å; F341-H350 AromaticContact CE2-NE2 3.99Å; F341-H350 HydrophobicContact CZ-CB 3.57Å; F341-H350 AromaticContact CZ-CD2 3.37Å; F341-H350 WeakPolarHBondContact CZ-CD2 3.5Å; F341-H350 AromaticContact CZ-CG 3.4Å; H346-H350 VanDerWaalsContact O-CB 3.3Å; H346-H350 WeakPolarHBondContact O-CB 3.45Å; H346-H350 PolarHBondContact O-N 2.93Å; L347-H350 CarbonylContact O-C 3.54Å; L347-H350 WeakPolarHBondContact O-CA 3.44Å; L347-H350 WeakPolarHBondContact O-CB 3.46Å; L347-H350 PolarHBondContact O-N 3.34Å; L347-H350 VanDerWaalsContact O-N 3.09Å; T348-H350 VanDerWaalsContact C-N 3.34Å; H350-R352 PolarHBondContact O-N 2.74Å; H350-T353 WeakPolarHBondContact O-CB 3.48Å; H350-T353 WeakPolarHBondContact O-CG2 3.37Å; H350-T353 PolarHBondContact O-N 3.36Å; H350-T353 PolarHBondContact O-OG1 2.94Å; H350-H354 AromaticContact CE1-CE1 3.96Å; H350-H354 AromaticContact CE1-NE2 3.38Å; H350-H354 PolarHBondContact CE1-NE2 2.93Å; H350-H354 AromaticContact NE2-NE2 3.33Å; H350-H354 PolarHBondContact NE2-NE2 2.97Å
351	Q	57.8	Low	56	Low	79 Å²	79	77.9 Å²	77.9	37%	0.369	40%	0.4	S	S	.	.	H	α-helix	trans	-63.7	-24.9	178.6	-77.6	171.1	-45.8	0	0	112.9	L347 T348 T353 H354	L347-Q351 HydrophobicContact CD1-CG 3.8Å; L347-Q351 HydrophobicContact CG-CG 4.12Å; L347-Q351 WeakPolarHBondContact O-CG 3.32Å; L347-Q351 PolarHBondContact O-N 3.44Å; T348-Q351 PolarHBondContact O-N 3.5Å; Q351-T353 PolarHBondContact O-N 3.17Å; Q351-H354 PolarHBondContact O-N 3.24Å
352	R	60.5	Low	55.9	Low	177 Å²	177	81.9 Å²	81.9	67%	0.668	43%	0.428	S	S	*	.	G	3₁₀ helix	trans	-63.8	-27	172.3	-68.7	167.5	-174.7	-168.5	-2.9	112.6	T348 H350 H354 K355 D356	T348-R352 WeakPolarHBondContact O-CG 3.44Å; T348-R352 PolarHBondContact O-N 3.38Å; H350-R352 PolarHBondContact O-N 2.74Å; R352-H354 PolarHBondContact O-N 3.39Å; R352-K355 PolarHBondContact O-N 2.67Å; R352-D356 PolarHBondContact O-N 2.91Å
353	T	52.1	Low	56.1	Low	49 Å²	49	81.5 Å²	81.5	30%	0.301	42%	0.421	S	S	.	.	G	3₁₀ helix	trans	-69	-13.1	175.9	75.2	0	0	0	0	113.5	H350 Q351 C369	H350-T353 WeakPolarHBondContact O-CB 3.48Å; H350-T353 WeakPolarHBondContact O-CG2 3.37Å; H350-T353 PolarHBondContact O-N 3.36Å; H350-T353 PolarHBondContact O-OG1 2.94Å; Q351-T353 PolarHBondContact O-N 3.17Å; T353-C369 HydrophobicContact CG2-CB 3.36Å
354	H	59.4	Low	55.9	Low	78 Å²	78	79.7 Å²	79.7	36%	0.361	42%	0.422	S	S	.	.	G	3₁₀ helix	trans	-99	-9.4	177.3	-57.4	-58.5	0	0	0	113.2	C334 H350 Q351 R352	C334-H354 VanDerWaalsContact SG-CD2 3.58Å; C334-H354 PolarHBondContact SG-NE2 3.44Å; C334-H354 VanDerWaalsContact SG-NE2 3.38Å; H350-H354 AromaticContact CE1-CE1 3.96Å; H350-H354 AromaticContact CE1-NE2 3.38Å; H350-H354 PolarHBondContact CE1-NE2 2.93Å; H350-H354 AromaticContact NE2-NE2 3.33Å; H350-H354 PolarHBondContact NE2-NE2 2.97Å; Q351-H354 PolarHBondContact O-N 3.24Å; R352-H354 PolarHBondContact O-N 3.39Å
355	K	56.8	Low	55.9	Low	182 Å²	182	79.5 Å²	79.5	79%	0.791	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.9	-40.8	-176.4	-78	-163.5	170.4	-167.3	0	114.4	R352	R352-K355 PolarHBondContact O-N 2.67Å
356	D	51	Low	55.5	Low	128 Å²	128	77.6 Å²	77.6	68%	0.684	42%	0.419	S	S	*	.	S	Bend	trans	-138.5	133.3	-177.7	-77.9	-65.9	0	0	0	113	R352 A358	R352-D356 PolarHBondContact O-N 2.91Å; D356-A358 PolarHBondContact O-N 3.23Å
357	T	51	Low	55.1	Low	130 Å²	130	78.5 Å²	78.5	80%	0.798	43%	0.426	S	S	*	.			trans	13.7	93.8	168.7	49.2	0	0	0	0	116.5	C359	T357-C359 PolarHBondContact O-N 3.17Å
358	A	56.3	Low	54.8	Low	35 Å²	35	79.9 Å²	79.9	29%	0.289	43%	0.432	S	S	.	.			trans	-51.2	130.9	161.8	0	0	0	0	0	109.7	D356 K360 D367	D356-A358 PolarHBondContact O-N 3.23Å; A358-K360 VanDerWaalsContact C-N 3.26Å; A358-K360 PolarHBondContact O-N 3.47Å; A358-D367 HydrophobicContact CB-CB 3.94Å; A358-D367 WeakPolarHBondContact CB-OD1 3.32Å
359	C	56.4	Low	54.1	Low	31 Å²	31	79.8 Å²	79.8	21%	0.209	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	86.8	177.9	-68.3	0	0	0	0	107.9	T357 F368 L374	T357-C359 PolarHBondContact O-N 3.17Å; C359-F368 HydrophobicContact CB-CB 4.16Å; C359-F368 WeakPolarHBondContact CB-O 3.33Å; C359-F368 PolarHBondContact N-O 2.87Å; C359-F368 WeakPolarHBondContact O-CB 3.27Å; C359-F368 WeakPolarHBondContact O-CD2 3.43Å; C359-F368 PolarHBondContact O-N 3.18Å; C359-F368 VanDerWaalsContact O-N 3.13Å; C359-L374 HydrophobicContact CB-CB 4.04Å; C359-L374 HydrophobicContact CB-CD2 3.78Å; C359-L374 HydrophobicContact CB-CG 4.48Å
360	K	55	Low	53.6	Low	121 Å²	121	80.9 Å²	80.9	53%	0.526	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	129.2	-177.5	-77.6	176.3	-174.8	-58.2	0	110.9	A358 T362 D367	A358-K360 VanDerWaalsContact C-N 3.26Å; A358-K360 PolarHBondContact O-N 3.47Å; K360-T362 PolarHBondContact O-N 3.11Å; K360-D367 WeakPolarHBondContact CE-OD1 3.38Å; K360-D367 WeakPolarHBondContact CG-OD1 3.46Å; K360-D367 IonicContact NZ-OD1 2.67Å; K360-D367 PolarHBondContact NZ-OD1 2.8Å; K360-D367 IonicContact NZ-OD2 3.36Å; K360-D367 PolarHBondContact NZ-OD2 2.79Å
361	C	54.2	Low	52.9	Low	2 Å²	2	83.5 Å²	83.5	1%	0.014	46%	0.456	C	S	.	.			trans	-68.7	119.4	166.5	-174.5	0	0	0	0	109.7	V363 G365 S366 F368 L374 H377 H381	C361-V363 PolarHBondContact O-N 3.17Å; C361-G365 WeakPolarHBondContact O-CA 3.39Å; C361-G365 PolarHBondContact O-N 3.07Å; C361-S366 PolarHBondContact N-O 3.47Å; C361-F368 HydrophobicContact CB-CE2 4.09Å; C361-L374 HydrophobicContact CB-CD1 3.71Å; C361-H377 VanDerWaalsContact SG-CD2 3.58Å; C361-H377 PolarHBondContact SG-NE2 3.32Å; C361-H377 VanDerWaalsContact SG-NE2 3.4Å; C361-H381 PolarHBondContact SG-CD2 3.29Å
362	T	56.4	Low	52	Low	124 Å²	124	82.6 Å²	82.6	76%	0.761	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-18.4	178.3	47.8	0	0	0	0	113.8	K360	K360-T362 PolarHBondContact O-N 3.11Å
363	V	53.1	Low	51.3	Low	86 Å²	86	79.3 Å²	79.3	52%	0.521	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-38.4	-176.8	-173.1	0	0	0	0	112.6	C361 H381	C361-V363 PolarHBondContact O-N 3.17Å; V363-H381 HydrophobicContact CB-CB 4.05Å; V363-H381 HydrophobicContact CG1-CB 3.99Å; V363-H381 WeakPolarHBondContact CG1-ND1 3.48Å; V363-H381 HydrophobicContact CG2-CB 3.96Å
364	C	52.4	Low	51.2	Low	56 Å²	56	77.9 Å²	77.9	38%	0.378	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.5	14	-176.5	73.9	0	0	0	0	114.8	S366 H377 H381	C364-S366 PolarHBondContact O-N 3.24Å; C364-S366 PolarHBondContact O-OG 3.31Å; C364-S366 PolarHBondContact SG-OG 2.99Å; C364-H377 VanDerWaalsContact SG-CE1 3.56Å; C364-H377 PolarHBondContact SG-NE2 3.47Å; C364-H381 VanDerWaalsContact SG-CE1 3.57Å; C364-H381 PolarHBondContact SG-NE2 3.39Å
365	G	52.9	Low	50.8	Low	47 Å²	47	77.5 Å²	77.5	49%	0.485	44%	0.44	S	S	.	.			trans	66.2	-3	176.1	0	0	0	0	0	116.4	C361	C361-G365 WeakPolarHBondContact O-CA 3.39Å; C361-G365 PolarHBondContact O-N 3.07Å
366	S	49.5	Very low	50.1	Low	51 Å²	51	75 Å²	75	36%	0.357	43%	0.431	S	S	.	.			trans	-66.5	136.6	-172.2	-64.9	0	0	0	0	112.5	C361 C364 F368	C361-S366 PolarHBondContact N-O 3.47Å; C364-S366 PolarHBondContact O-N 3.24Å; C364-S366 PolarHBondContact O-OG 3.31Å; C364-S366 PolarHBondContact SG-OG 2.99Å; S366-F368 VanDerWaalsContact O-CD2 3.25Å; S366-F368 WeakPolarHBondContact O-CD2 3.44Å; S366-F368 VanDerWaalsContact O-CE2 3.28Å; S366-F368 WeakPolarHBondContact O-CE2 3.33Å
367	D	49.1	Very low	50.1	Low	94 Å²	94	70.7 Å²	70.7	50%	0.503	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	121.1	-174.1	-80.6	-46.7	0	0	0	112.7	A358 K360	A358-D367 HydrophobicContact CB-CB 3.94Å; A358-D367 WeakPolarHBondContact CB-OD1 3.32Å; K360-D367 WeakPolarHBondContact CE-OD1 3.38Å; K360-D367 WeakPolarHBondContact CG-OD1 3.46Å; K360-D367 IonicContact NZ-OD1 2.67Å; K360-D367 PolarHBondContact NZ-OD1 2.8Å; K360-D367 IonicContact NZ-OD2 3.36Å; K360-D367 PolarHBondContact NZ-OD2 2.79Å
368	F	53.4	Low	49.9	Very low	45 Å²	45	66.7 Å²	66.7	20%	0.197	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	142.3	179.4	-65.2	-86.6	0	0	0	113.1	C359 C361 S366 H370 L374 H377	C359-F368 HydrophobicContact CB-CB 4.16Å; C359-F368 WeakPolarHBondContact CB-O 3.33Å; C359-F368 PolarHBondContact N-O 2.87Å; C359-F368 WeakPolarHBondContact O-CB 3.27Å; C359-F368 WeakPolarHBondContact O-CD2 3.43Å; C359-F368 PolarHBondContact O-N 3.18Å; C359-F368 VanDerWaalsContact O-N 3.13Å; C361-F368 HydrophobicContact CB-CE2 4.09Å; S366-F368 VanDerWaalsContact O-CD2 3.25Å; S366-F368 WeakPolarHBondContact O-CD2 3.44Å; S366-F368 VanDerWaalsContact O-CE2 3.28Å; S366-F368 WeakPolarHBondContact O-CE2 3.33Å; F368-H370 VanDerWaalsContact C-N 3.32Å; F368-H370 PolarHBondContact O-N 3.3Å; F368-L374 HydrophobicContact CB-CB 3.97Å; F368-L374 HydrophobicContact CD2-CB 4.19Å; F368-L374 HydrophobicContact CD2-CD1 3.68Å; F368-L374 HydrophobicContact CE2-CD1 4.14Å; F368-L374 HydrophobicContact CG-CB 4.12Å; F368-L374 HydrophobicContact CG-CD1 4.45Å; F368-H377 HydrophobicContact CD1-CB 4.45Å; F368-H377 HydrophobicContact CE1-CB 3.72Å; F368-H377 AromaticContact CE1-CG 3.84Å; F368-H377 HydrophobicContact CE2-CB 4.08Å; F368-H377 AromaticContact CE2-CD2 3.23Å; F368-H377 WeakPolarHBondContact CE2-CD2 3.25Å; F368-H377 AromaticContact CE2-CG 3.58Å; F368-H377 AromaticContact CE2-NE2 3.61Å; F368-H377 HydrophobicContact CZ-CB 3.54Å; F368-H377 AromaticContact CZ-CD2 3.32Å; F368-H377 WeakPolarHBondContact CZ-CD2 3.39Å; F368-H377 AromaticContact CZ-CE1 3.71Å; F368-H377 AromaticContact CZ-CG 3.13Å; F368-H377 AromaticContact CZ-ND1 3.42Å; F368-H377 WeakPolarHBondContact CZ-ND1 3.42Å; F368-H377 AromaticContact CZ-NE2 3.67Å
369	C	44.1	Very low	49.7	Very low	63 Å²	63	72.8 Å²	72.8	43%	0.426	40%	0.395	S	S	.	.	S	Bend	trans	-81.1	-5.2	-177.3	63.6	0	0	0	0	115	T353	T353-C369 HydrophobicContact CG2-CB 3.36Å
370	H	44.7	Very low	49.4	Very low	92 Å²	92	76.2 Å²	76.2	43%	0.426	42%	0.415	S	S	.	.	S	Bend	trans	-162.1	147.2	175.1	-167.6	-110.9	0	0	0	110.4	F368 S372 Y373 L374	F368-H370 VanDerWaalsContact C-N 3.32Å; F368-H370 PolarHBondContact O-N 3.3Å; H370-S372 WeakPolarHBondContact ND1-CB 3.42Å; H370-S372 PolarHBondContact ND1-N 3.36Å; H370-S372 PolarHBondContact ND1-OG 3.37Å; H370-S372 PolarHBondContact O-N 2.91Å; H370-Y373 HydrophobicContact CB-CD2 3.77Å; H370-Y373 HydrophobicContact CB-CE2 4.22Å; H370-Y373 PolarHBondContact O-N 2.97Å; H370-L374 PolarHBondContact O-N 3.39Å; H370-L374 VanDerWaalsContact O-N 3.15Å
371	T	44.6	Very low	49.1	Very low	84 Å²	84	73.4 Å²	73.4	52%	0.515	40%	0.403	S	S	.	.	H	α-helix	trans	-58.1	-32.1	179.8	52.9	0	0	0	0	113.1	Y373 L374 V375	T371-Y373 VanDerWaalsContact C-N 3.33Å; T371-Y373 PolarHBondContact O-N 3.05Å; T371-L374 PolarHBondContact O-N 3.34Å; T371-V375 WeakPolarHBondContact O-CB 3.47Å; T371-V375 VanDerWaalsContact O-CG2 3.29Å; T371-V375 WeakPolarHBondContact O-CG2 3.3Å; T371-V375 PolarHBondContact O-N 3.46Å
372	S	40.1	Very low	48.9	Very low	59 Å²	59	79.2 Å²	79.2	41%	0.413	43%	0.43	S	S	.	.	H	α-helix	trans	-64.3	-35.7	176.3	66.7	0	0	0	0	113.3	H370 E376	H370-S372 WeakPolarHBondContact ND1-CB 3.42Å; H370-S372 PolarHBondContact ND1-N 3.36Å; H370-S372 PolarHBondContact ND1-OG 3.37Å; H370-S372 PolarHBondContact O-N 2.91Å; S372-E376 WeakPolarHBondContact O-CB 3.48Å; S372-E376 PolarHBondContact O-N 3.31Å
373	Y	45.4	Very low	48.3	Very low	108 Å²	108	81.1 Å²	81.1	42%	0.424	43%	0.43	S	S	.	.	H	α-helix	trans	-77.7	-34.8	177.1	-62.4	-57	0	0	0	111.2	H370 T371 E376 H377	H370-Y373 HydrophobicContact CB-CD2 3.77Å; H370-Y373 HydrophobicContact CB-CE2 4.22Å; H370-Y373 PolarHBondContact O-N 2.97Å; T371-Y373 VanDerWaalsContact C-N 3.33Å; T371-Y373 PolarHBondContact O-N 3.05Å; Y373-E376 PolarHBondContact O-N 2.84Å; Y373-H377 VanDerWaalsContact O-CB 3.3Å; Y373-H377 WeakPolarHBondContact O-CB 3.37Å; Y373-H377 PolarHBondContact O-N 3.25Å
374	L	49.3	Very low	47.5	Very low	20 Å²	20	85.6 Å²	85.6	11%	0.105	45%	0.445	C	S	.	.	H	α-helix	trans	-60.5	-45.8	168.9	175.2	60.5	0	0	0	111.1	C359 C361 F368 H370 T371 E376 H377 Q378	C359-L374 HydrophobicContact CB-CB 4.04Å; C359-L374 HydrophobicContact CB-CD2 3.78Å; C359-L374 HydrophobicContact CB-CG 4.48Å; C361-L374 HydrophobicContact CB-CD1 3.71Å; F368-L374 HydrophobicContact CB-CB 3.97Å; F368-L374 HydrophobicContact CD2-CB 4.19Å; F368-L374 HydrophobicContact CD2-CD1 3.68Å; F368-L374 HydrophobicContact CE2-CD1 4.14Å; F368-L374 HydrophobicContact CG-CB 4.12Å; F368-L374 HydrophobicContact CG-CD1 4.45Å; H370-L374 PolarHBondContact O-N 3.39Å; H370-L374 VanDerWaalsContact O-N 3.15Å; T371-L374 PolarHBondContact O-N 3.34Å; L374-E376 VanDerWaalsContact C-N 3.3Å; L374-E376 PolarHBondContact O-N 2.79Å; L374-H377 CarbonylContact O-C 3.59Å; L374-H377 PolarHBondContact O-N 3.15Å; L374-Q378 HydrophobicContact CD1-CG 3.75Å; L374-Q378 HydrophobicContact CG-CG 4.14Å; L374-Q378 WeakPolarHBondContact O-CB 3.37Å; L374-Q378 WeakPolarHBondContact O-CG 3.15Å; L374-Q378 PolarHBondContact O-N 3.45Å
375	V	50.5	Low	46.8	Very low	69 Å²	69	88.2 Å²	88.2	42%	0.418	45%	0.45	S	S	.	.	H	α-helix	trans	-68.1	-27.9	178.8	167	0	0	0	0	112.6	T371 R379	T371-V375 WeakPolarHBondContact O-CB 3.47Å; T371-V375 VanDerWaalsContact O-CG2 3.29Å; T371-V375 WeakPolarHBondContact O-CG2 3.3Å; T371-V375 PolarHBondContact O-N 3.46Å; V375-R379 WeakPolarHBondContact O-CD 3.3Å; V375-R379 WeakPolarHBondContact O-CG 3.49Å; V375-R379 PolarHBondContact O-NE 3.42Å; V375-R379 VanDerWaalsContact O-NE 3.1Å
376	E	42.9	Very low	45.8	Very low	129 Å²	129	91.5 Å²	91.5	60%	0.603	47%	0.466	S	S	*	.	H	α-helix	trans	-72.4	-41.6	171	-170.9	167.2	-157.5	0	0	111.1	S372 Y373 L374 R379	S372-E376 WeakPolarHBondContact O-CB 3.48Å; S372-E376 PolarHBondContact O-N 3.31Å; Y373-E376 PolarHBondContact O-N 2.84Å; L374-E376 VanDerWaalsContact C-N 3.3Å; L374-E376 PolarHBondContact O-N 2.79Å; E376-R379 WeakPolarHBondContact O-CB 3.46Å
377	H	51.7	Low	45.2	Very low	39 Å²	39	93.9 Å²	93.9	18%	0.181	47%	0.468	C	S	.	.	H	α-helix	trans	-71	-35.4	175.8	168.7	81.6	0	0	0	113.9	C361 C364 F368 Y373 L374 R379 V380 H381	C361-H377 VanDerWaalsContact SG-CD2 3.58Å; C361-H377 PolarHBondContact SG-NE2 3.32Å; C361-H377 VanDerWaalsContact SG-NE2 3.4Å; C364-H377 VanDerWaalsContact SG-CE1 3.56Å; C364-H377 PolarHBondContact SG-NE2 3.47Å; F368-H377 HydrophobicContact CD1-CB 4.45Å; F368-H377 HydrophobicContact CE1-CB 3.72Å; F368-H377 AromaticContact CE1-CG 3.84Å; F368-H377 HydrophobicContact CE2-CB 4.08Å; F368-H377 AromaticContact CE2-CD2 3.23Å; F368-H377 WeakPolarHBondContact CE2-CD2 3.25Å; F368-H377 AromaticContact CE2-CG 3.58Å; F368-H377 AromaticContact CE2-NE2 3.61Å; F368-H377 HydrophobicContact CZ-CB 3.54Å; F368-H377 AromaticContact CZ-CD2 3.32Å; F368-H377 WeakPolarHBondContact CZ-CD2 3.39Å; F368-H377 AromaticContact CZ-CE1 3.71Å; F368-H377 AromaticContact CZ-CG 3.13Å; F368-H377 AromaticContact CZ-ND1 3.42Å; F368-H377 WeakPolarHBondContact CZ-ND1 3.42Å; F368-H377 AromaticContact CZ-NE2 3.67Å; Y373-H377 VanDerWaalsContact O-CB 3.3Å; Y373-H377 WeakPolarHBondContact O-CB 3.37Å; Y373-H377 PolarHBondContact O-N 3.25Å; L374-H377 CarbonylContact O-C 3.59Å; L374-H377 PolarHBondContact O-N 3.15Å; H377-R379 PolarHBondContact O-N 2.89Å; H377-V380 WeakPolarHBondContact O-CB 3.22Å; H377-V380 WeakPolarHBondContact O-CG2 3.37Å; H377-V380 PolarHBondContact O-N 3.45Å; H377-H381 AromaticContact CD2-CD2 3.98Å; H377-H381 AromaticContact CD2-NE2 3.79Å; H377-H381 AromaticContact CE1-NE2 3.35Å; H377-H381 PolarHBondContact CE1-NE2 3.35Å; H377-H381 VanDerWaalsContact CE1-NE2 3.35Å; H377-H381 AromaticContact NE2-CD2 3.62Å; H377-H381 AromaticContact NE2-NE2 2.98Å; H377-H381 PolarHBondContact NE2-NE2 3.39Å
378	Q	46.8	Very low	44.6	Very low	46 Å²	46	97.5 Å²	97.5	22%	0.215	48%	0.482	C	S	.	.	H	α-helix	trans	-66.2	-18.7	178.1	-80.2	173.3	-36.5	0	0	113.1	L374 V380 H381 H382	L374-Q378 HydrophobicContact CD1-CG 3.75Å; L374-Q378 HydrophobicContact CG-CG 4.14Å; L374-Q378 WeakPolarHBondContact O-CB 3.37Å; L374-Q378 WeakPolarHBondContact O-CG 3.15Å; L374-Q378 PolarHBondContact O-N 3.45Å; Q378-V380 PolarHBondContact O-N 3.28Å; Q378-H381 PolarHBondContact O-N 3.34Å; Q378-H381 VanDerWaalsContact O-N 3.17Å; Q378-H382 PolarHBondContact O-N 3.11Å; Q378-H382 PolarHBondContact O-ND1 2.78Å
379	R	51.5	Low	43.9	Very low	162 Å²	162	103.2 Å²	103.2	61%	0.611	50%	0.503	S	S	*	.	H	α-helix	trans	-72.1	-15.2	169.1	-62.6	160.7	-168.6	-123.2	-7.1	113.3	V375 E376 H377 H381	V375-R379 WeakPolarHBondContact O-CD 3.3Å; V375-R379 WeakPolarHBondContact O-CG 3.49Å; V375-R379 PolarHBondContact O-NE 3.42Å; V375-R379 VanDerWaalsContact O-NE 3.1Å; E376-R379 WeakPolarHBondContact O-CB 3.46Å; H377-R379 PolarHBondContact O-N 2.89Å; R379-H381 VanDerWaalsContact C-N 3.32Å
380	V	50.1	Low	43.6	Very low	104 Å²	104	103.7 Å²	103.7	63%	0.63	50%	0.501	S	S	*	.	H	α-helix	trans	-75	-29.7	169.4	-172.8	0	0	0	0	110.1	H377 Q378	H377-V380 WeakPolarHBondContact O-CB 3.22Å; H377-V380 WeakPolarHBondContact O-CG2 3.37Å; H377-V380 PolarHBondContact O-N 3.45Å; Q378-V380 PolarHBondContact O-N 3.28Å
381	H	49.4	Very low	43.2	Very low	62 Å²	62	109.3 Å²	109.3	29%	0.287	53%	0.528	S	S	.	.	H	α-helix	trans	-89.2	-36.9	178.8	-61.4	-63.1	0	0	0	113.5	C361 V363 C364 H377 Q378 R379 Q383	C361-H381 PolarHBondContact SG-CD2 3.29Å; V363-H381 HydrophobicContact CB-CB 4.05Å; V363-H381 HydrophobicContact CG1-CB 3.99Å; V363-H381 WeakPolarHBondContact CG1-ND1 3.48Å; V363-H381 HydrophobicContact CG2-CB 3.96Å; C364-H381 VanDerWaalsContact SG-CE1 3.57Å; C364-H381 PolarHBondContact SG-NE2 3.39Å; H377-H381 AromaticContact CD2-CD2 3.98Å; H377-H381 AromaticContact CD2-NE2 3.79Å; H377-H381 AromaticContact CE1-NE2 3.35Å; H377-H381 PolarHBondContact CE1-NE2 3.35Å; H377-H381 VanDerWaalsContact CE1-NE2 3.35Å; H377-H381 AromaticContact NE2-CD2 3.62Å; H377-H381 AromaticContact NE2-NE2 2.98Å; H377-H381 PolarHBondContact NE2-NE2 3.39Å; Q378-H381 PolarHBondContact O-N 3.34Å; Q378-H381 VanDerWaalsContact O-N 3.17Å; R379-H381 VanDerWaalsContact C-N 3.32Å; H381-Q383 PolarHBondContact O-N 3.02Å
382	H	50	Low	43.2	Very low	123 Å²	123	110.8 Å²	110.8	57%	0.569	54%	0.54	S	S	*	.			trans	-89	82.7	176.8	-70.2	69.8	0	0	0	110.8	Q378 E384	Q378-H382 PolarHBondContact O-N 3.11Å; Q378-H382 PolarHBondContact O-ND1 2.78Å; H382-E384 PolarHBondContact O-N 3.18Å
383	Q	43.8	Very low	43.1	Very low	165 Å²	165	110.1 Å²	110.1	77%	0.771	54%	0.543	S	S	*	.			trans	-77.5	6.1	166.4	-91.3	-162	22.2	0	0	114.3	H381 K385	H381-Q383 PolarHBondContact O-N 3.02Å; Q383-K385 PolarHBondContact O-N 3.42Å
384	E	35.1	Very low	42.6	Very low	179 Å²	179	110.9 Å²	110.9	84%	0.836	55%	0.553	S	S	*	*			trans	-69.4	83.4	160.6	-73.5	-167.3	159.3	0	0	110.6	H382	H382-E384 PolarHBondContact O-N 3.18Å
385	K	38.8	Very low	41.6	Very low	111 Å²	111	112 Å²	112	48%	0.483	57%	0.566	S	S	.	*			trans	-72.4	124.7	154.5	-63.7	151.7	177.8	167.1	0	106.6	Q383 Y387 V397	Q383-K385 PolarHBondContact O-N 3.42Å; K385-Y387 HydrophobicContact CB-CD1 4.42Å; K385-Y387 HydrophobicContact CB-CD2 4.16Å; K385-Y387 HydrophobicContact CB-CE1 4.07Å; K385-Y387 HydrophobicContact CB-CE2 3.79Å; K385-Y387 HydrophobicContact CD-CE1 3.85Å; K385-Y387 HydrophobicContact CD-CE2 4.08Å; K385-Y387 WeakPolarHBondContact CD-OH 3.31Å; K385-Y387 PolarHBondContact NZ-OH 3.27Å; K385-Y387 VanDerWaalsContact NZ-OH 3.15Å; K385-Y387 WeakPolarHBondContact O-CD2 3.16Å; K385-Y387 PolarHBondContact O-N 2.81Å; K385-V397 HydrophobicContact CB-CG2 4.39Å; K385-V397 HydrophobicContact CD-CG2 4.19Å; K385-V397 HydrophobicContact CG-CG2 4.35Å
386	S	32.1	Very low	41.1	Very low	117 Å²	117	115.8 Å²	115.8	82%	0.818	57%	0.574	S	S	*	*			trans	-67.1	117.9	162.1	47.4	0	0	0	0	108.6
387	Y	36.4	Very low	40.9	Very low	100 Å²	100	113.5 Å²	113.5	39%	0.392	57%	0.568	S	S	.	*			trans	-111.7	137.8	172.8	-58.4	-80	0	0	0	108.5	K385 A395 V397	K385-Y387 HydrophobicContact CB-CD1 4.42Å; K385-Y387 HydrophobicContact CB-CD2 4.16Å; K385-Y387 HydrophobicContact CB-CE1 4.07Å; K385-Y387 HydrophobicContact CB-CE2 3.79Å; K385-Y387 HydrophobicContact CD-CE1 3.85Å; K385-Y387 HydrophobicContact CD-CE2 4.08Å; K385-Y387 WeakPolarHBondContact CD-OH 3.31Å; K385-Y387 PolarHBondContact NZ-OH 3.27Å; K385-Y387 VanDerWaalsContact NZ-OH 3.15Å; K385-Y387 WeakPolarHBondContact O-CD2 3.16Å; K385-Y387 PolarHBondContact O-N 2.81Å; Y387-A395 HydrophobicContact CD1-CB 3.76Å; Y387-A395 HydrophobicContact CE1-CB 4.35Å; Y387-A395 HydrophobicContact CG-CB 3.93Å; Y387-V397 HydrophobicContact CD1-CG2 4.16Å; Y387-V397 HydrophobicContact CE1-CG2 3.85Å
388	E	36.8	Very low	39.9	Very low	170 Å²	170	121.1 Å²	121.1	79%	0.794	60%	0.601	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-107	144.2	156.1	-73.3	174.9	161.1	0	0	107.1
389	Y	37.9	Very low	39.4	Very low	166 Å²	166	126.6 Å²	126.6	65%	0.651	63%	0.626	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-92.6	141.2	176.1	-67.2	-98.9	0	0	0	108.7	G393 A395	Y389-G393 WeakPolarHBondContact CD1-O 3.25Å; Y389-A395 HydrophobicContact CD1-CB 4.25Å; Y389-A395 HydrophobicContact CE1-CB 4.02Å
390	D	37.2	Very low	38.5	Very low	72 Å²	72	126 Å²	126	39%	0.385	63%	0.63	S	S	.	*			trans	-78.8	172	163.6	60	19.4	0	0	0	111.3	C392 G393 L394	D390-C392 PolarHBondContact O-N 3.47Å; D390-C392 PolarHBondContact OD1-N 3.32Å; D390-G393 PolarHBondContact O-N 2.86Å; D390-G393 PolarHBondContact OD1-N 3.25Å; D390-G393 VanDerWaalsContact OD1-N 3.16Å; D390-L394 PolarHBondContact OD1-N 2.9Å
391	E	37.3	Very low	37.6	Very low	211 Å²	211	124.7 Å²	124.7	99%	0.986	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.4	-7.7	177.9	-89	179.6	146.4	0	0	114
392	C	44.5	Very low	36.9	Very low	114 Å²	114	129.1 Å²	129.1	77%	0.77	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.9	4.8	175	-65.1	0	0	0	0	113.2	D390	D390-C392 PolarHBondContact O-N 3.47Å; D390-C392 PolarHBondContact OD1-N 3.32Å
393	G	38.1	Very low	35.8	Very low	45 Å²	45	130.7 Å²	130.7	46%	0.464	66%	0.663	S	S	.	*			trans	79.1	18.3	171	0	0	0	0	0	115.8	Y389 D390	Y389-G393 WeakPolarHBondContact CD1-O 3.25Å; D390-G393 PolarHBondContact O-N 2.86Å; D390-G393 PolarHBondContact OD1-N 3.25Å; D390-G393 VanDerWaalsContact OD1-N 3.16Å
394	L	33.9	Very low	35	Very low	124 Å²	124	131.5 Å²	131.5	65%	0.649	66%	0.664	S	S	*	*			trans	-104.5	121.6	178.8	-66.8	179.1	0	0	0	112.8	D390	D390-L394 PolarHBondContact OD1-N 2.9Å
395	A	29.7	Very low	35	Very low	44 Å²	44	134.2 Å²	134.2	36%	0.364	67%	0.667	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-83.5	130.1	-177.7	0	0	0	0	0	112.7	Y387 Y389	Y387-A395 HydrophobicContact CD1-CB 3.76Å; Y387-A395 HydrophobicContact CE1-CB 4.35Å; Y387-A395 HydrophobicContact CG-CB 3.93Å; Y389-A395 HydrophobicContact CD1-CB 4.25Å; Y389-A395 HydrophobicContact CE1-CB 4.02Å
396	Y	39.8	Very low	34.8	Very low	149 Å²	149	134 Å²	134	58%	0.584	67%	0.668	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-136.4	157	176.2	66.2	-98	0	0	0	114.6
397	V	37.7	Very low	35.7	Very low	80 Å²	80	133 Å²	133	49%	0.485	65%	0.648	S	S	.	*			trans	-101.3	122.4	-174.8	178.7	0	0	0	0	111.4	K385 Y387 Q399	K385-V397 HydrophobicContact CB-CG2 4.39Å; K385-V397 HydrophobicContact CD-CG2 4.19Å; K385-V397 HydrophobicContact CG-CG2 4.35Å; Y387-V397 HydrophobicContact CD1-CG2 4.16Å; Y387-V397 HydrophobicContact CE1-CG2 3.85Å; V397-Q399 PolarHBondContact O-N 2.92Å; V397-Q399 VanDerWaalsContact O-N 3.1Å
398	K	31	Very low	36.1	Very low	200 Å²	200	132.4 Å²	132.4	87%	0.87	66%	0.657	S	S	*	*			trans	-83	82.2	179.5	-162.4	171.7	-171.5	171	0	112.6
399	Q	37.3	Very low	36.7	Very low	161 Å²	161	128.6 Å²	128.6	75%	0.752	64%	0.636	S	S	*	*			trans	-113.8	144	159.4	-74.8	-169.2	4.6	0	0	111.5	V397	V397-Q399 PolarHBondContact O-N 2.92Å; V397-Q399 VanDerWaalsContact O-N 3.1Å
400	Q	32.5	Very low	36.9	Very low	149 Å²	149	124.6 Å²	124.6	70%	0.696	63%	0.628	S	S	*	*	S	Bend	trans	-63.6	132.2	-162.7	-65.6	-178.8	-12.3	0	0	114.3	R265	R265-Q400 VanDerWaalsContact NH1-CD 3.3Å
401	G	29.9	Very low	37.9	Very low	76 Å²	76	121.3 Å²	121.3	78%	0.784	61%	0.611	S	S	*	*			trans	87.9	93.8	154.5	0	0	0	0	0	115	R403	G401-R403 PolarHBondContact O-N 2.88Å
402	I	35.4	Very low	39	Very low	155 Å²	155	116.3 Å²	116.3	80%	0.795	60%	0.595	S	S	*	*			trans	-52.9	127	169.5	-61.8	159.5	0	0	0	110.6
403	R	26.1	Very low	39.3	Very low	156 Å²	156	117.3 Å²	117.3	59%	0.589	59%	0.589	S	S	*	*			trans	-143.6	104.8	131.5	-77.9	-143.1	-64.3	171.7	5.9	110.1	G401 E406	G401-R403 PolarHBondContact O-N 2.88Å; R403-E406 VanDerWaalsContact CZ-CD 3.42Å; R403-E406 IonicContact CZ-OE1 3.43Å; R403-E406 IonicContact CZ-OE2 2.99Å; R403-E406 IonicContact NE-OE1 3.44Å; R403-E406 IonicContact NH1-OE1 3.27Å; R403-E406 PolarHBondContact NH1-OE1 3.43Å; R403-E406 IonicContact NH1-OE2 3.65Å; R403-E406 IonicContact NH2-OE1 2.62Å; R403-E406 PolarHBondContact NH2-OE1 3.09Å; R403-E406 IonicContact NH2-OE2 3.07Å; R403-E406 PolarHBondContact NH2-OE2 3.04Å
404	F	27.4	Very low	40.2	Very low	182 Å²	182	117.5 Å²	117.5	80%	0.798	58%	0.583	S	S	*	*			trans	-65.6	148	166.6	-103.2	-113.6	0	0	0	110.5	E406	F404-E406 PolarHBondContact O-N 3.3Å
405	R	34.3	Very low	40.8	Very low	236 Å²	236	114.1 Å²	114.1	89%	0.891	58%	0.578	S	S	*	*			trans	51.9	47.2	161	-62.7	-170.1	176.9	-153.3	3.5	118.7
406	E	35.9	Very low	41.6	Very low	108 Å²	108	118 Å²	118	51%	0.505	59%	0.586	S	S	.	*			trans	-94.1	112.2	147.9	-79.2	-175.4	177.6	0	0	109.7	R403 F404 P408	R403-E406 VanDerWaalsContact CZ-CD 3.42Å; R403-E406 IonicContact CZ-OE1 3.43Å; R403-E406 IonicContact CZ-OE2 2.99Å; R403-E406 IonicContact NE-OE1 3.44Å; R403-E406 IonicContact NH1-OE1 3.27Å; R403-E406 PolarHBondContact NH1-OE1 3.43Å; R403-E406 IonicContact NH1-OE2 3.65Å; R403-E406 IonicContact NH2-OE1 2.62Å; R403-E406 PolarHBondContact NH2-OE1 3.09Å; R403-E406 IonicContact NH2-OE2 3.07Å; R403-E406 PolarHBondContact NH2-OE2 3.04Å; F404-E406 PolarHBondContact O-N 3.3Å; E406-P408 WeakPolarHBondContact O-CD 3.45Å
407	K	49.7	Very low	41.8	Very low	95 Å²	95	114.4 Å²	114.4	41%	0.413	58%	0.577	S	S	.	*			trans	-114	77.3	166.8	-71.2	178.6	162.2	-160	0	107.9	Y409 D417 F418 R419	K407-Y409 PolarHBondContact O-N 3.45Å; K407-D417 HydrophobicContact CB-CB 3.67Å; K407-D417 HydrophobicContact CD-CB 3.4Å; K407-D417 VanDerWaalsContact CD-CB 3.4Å; K407-D417 WeakPolarHBondContact CD-O 3.39Å; K407-D417 WeakPolarHBondContact CE-O 3.23Å; K407-D417 HydrophobicContact CG-CB 4.26Å; K407-D417 PolarHBondContact NZ-O 2.96Å; K407-F418 CarbonylContact C-O 3.52Å; K407-F418 VanDerWaalsContact C-O 3.27Å; K407-F418 WeakPolarHBondContact CA-O 3.36Å; K407-R419 HydrophobicContact CG-CG 4.02Å
408	P	44.9	Very low	42.6	Very low	87 Å²	87	112.5 Å²	112.5	57%	0.565	56%	0.562	S	S	*	*			trans	-75.9	9	-163.1	31.6	-36.9	0	0	0	114.9	E406	E406-P408 WeakPolarHBondContact O-CD 3.45Å
409	Y	49.4	Very low	43.1	Very low	91 Å²	91	112.3 Å²	112.3	36%	0.357	56%	0.556	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-121.9	94.8	-177	-57.9	-69.6	0	0	0	108.9	K407 F418 L420 N421	K407-Y409 PolarHBondContact O-N 3.45Å; Y409-F418 PolarHBondContact N-O 3.16Å; Y409-F418 PolarHBondContact O-N 2.75Å; Y409-L420 VanDerWaalsContact CD2-C 3.49Å; Y409-N421 HydrophobicContact CD1-CB 3.78Å; Y409-N421 WeakPolarHBondContact CD1-OD1 3.28Å; Y409-N421 HydrophobicContact CD2-CB 4.31Å; Y409-N421 VanDerWaalsContact CD2-N 3.31Å; Y409-N421 HydrophobicContact CE1-CB 3.66Å; Y409-N421 HydrophobicContact CE2-CB 4.17Å; Y409-N421 HydrophobicContact CG-CB 4.12Å
410	T	43.5	Very low	43.6	Very low	81 Å²	81	109 Å²	109	50%	0.497	54%	0.543	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	140.2	-177.8	64.4	0	0	0	0	110.7	D417 L424	T410-D417 WeakPolarHBondContact CG2-OD1 3.44Å; T410-L424 WeakPolarHBondContact O-CD2 3.41Å
411	C	58.2	Low	44.1	Very low	3 Å²	3	105.3 Å²	105.3	2%	0.02	53%	0.528	C	S	.	.			trans	-82	124.7	173	-173.5	0	0	0	0	110.4	E413 G415 K416 F418 L424 H431	C411-E413 VanDerWaalsContact C-N 3.34Å; C411-E413 PolarHBondContact O-N 2.65Å; C411-G415 VanDerWaalsContact O-CA 3.28Å; C411-G415 WeakPolarHBondContact O-CA 3.31Å; C411-G415 PolarHBondContact O-N 2.93Å; C411-K416 HydrophobicContact CB-CB 4.5Å; C411-K416 WeakPolarHBondContact CB-O 3.4Å; C411-K416 PolarHBondContact N-O 3.28Å; C411-F418 HydrophobicContact CB-CE2 4.32Å; C411-L424 HydrophobicContact CB-CD1 3.66Å; C411-H431 PolarHBondContact SG-NE2 3.43Å
412	T	60.6	Low	44.9	Very low	107 Å²	107	105 Å²	105	66%	0.656	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-37.6	177.9	46.9	0	0	0	0	112.8
413	E	50.5	Low	45.9	Very low	134 Å²	134	101.8 Å²	101.8	63%	0.626	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-25.2	-172.7	-50	-45.2	115.7	0	0	114.1	C411 H431	C411-E413 VanDerWaalsContact C-N 3.34Å; C411-E413 PolarHBondContact O-N 2.65Å; E413-H431 HydrophobicContact CB-CB 4.35Å; E413-H431 HydrophobicContact CG-CB 4.14Å
414	C	57	Low	47.1	Very low	50 Å²	50	94.9 Å²	94.9	34%	0.338	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-143.5	8	-173	75.5	0	0	0	0	115.2	K416 H427 H431	C414-K416 PolarHBondContact O-N 3.26Å; C414-H427 PolarHBondContact SG-NE2 3.22Å; C414-H431 PolarHBondContact SG-NE2 3.08Å; C414-H431 VanDerWaalsContact SG-NE2 3.38Å
415	G	45.8	Very low	48.4	Very low	53 Å²	53	89.8 Å²	89.8	55%	0.546	45%	0.45	S	S	.	.			trans	64.7	9	178	0	0	0	0	0	115.7	C411 D417	C411-G415 VanDerWaalsContact O-CA 3.28Å; C411-G415 WeakPolarHBondContact O-CA 3.31Å; C411-G415 PolarHBondContact O-N 2.93Å; G415-D417 PolarHBondContact O-N 3.15Å
416	K	45.9	Very low	49.3	Very low	126 Å²	126	81.8 Å²	81.8	55%	0.548	42%	0.423	S	S	.	.			trans	-74.5	128.2	-179.8	-75.1	178.2	-178.5	174	0	111.5	C411 C414 F418	C411-K416 HydrophobicContact CB-CB 4.5Å; C411-K416 WeakPolarHBondContact CB-O 3.4Å; C411-K416 PolarHBondContact N-O 3.28Å; C414-K416 PolarHBondContact O-N 3.26Å; K416-F418 HydrophobicContact CB-CE2 3.74Å; K416-F418 HydrophobicContact CB-CZ 3.97Å; K416-F418 VanDerWaalsContact O-CD2 3.26Å; K416-F418 WeakPolarHBondContact O-CD2 3.48Å; K416-F418 WeakPolarHBondContact O-CE2 3.5Å
417	D	45.5	Very low	50.5	Low	73 Å²	73	77.6 Å²	77.6	39%	0.39	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	137.1	-178.5	-58.8	-26.9	0	0	0	113.1	K407 T410 G415	K407-D417 HydrophobicContact CB-CB 3.67Å; K407-D417 HydrophobicContact CD-CB 3.4Å; K407-D417 VanDerWaalsContact CD-CB 3.4Å; K407-D417 WeakPolarHBondContact CD-O 3.39Å; K407-D417 WeakPolarHBondContact CE-O 3.23Å; K407-D417 HydrophobicContact CG-CB 4.26Å; K407-D417 PolarHBondContact NZ-O 2.96Å; T410-D417 WeakPolarHBondContact CG2-OD1 3.44Å; G415-D417 PolarHBondContact O-N 3.15Å
418	F	53.5	Low	50.5	Low	39 Å²	39	76.1 Å²	76.1	17%	0.171	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	145.7	-178.1	-61.9	-88.3	0	0	0	112.6	K407 Y409 C411 K416 H423 L424 H427	K407-F418 CarbonylContact C-O 3.52Å; K407-F418 VanDerWaalsContact C-O 3.27Å; K407-F418 WeakPolarHBondContact CA-O 3.36Å; Y409-F418 PolarHBondContact N-O 3.16Å; Y409-F418 PolarHBondContact O-N 2.75Å; C411-F418 HydrophobicContact CB-CE2 4.32Å; K416-F418 HydrophobicContact CB-CE2 3.74Å; K416-F418 HydrophobicContact CB-CZ 3.97Å; K416-F418 VanDerWaalsContact O-CD2 3.26Å; K416-F418 WeakPolarHBondContact O-CD2 3.48Å; K416-F418 WeakPolarHBondContact O-CE2 3.5Å; F418-H423 HydrophobicContact CB-CB 4.42Å; F418-H423 HydrophobicContact CD1-CB 3.83Å; F418-H423 HydrophobicContact CG-CB 4.44Å; F418-L424 HydrophobicContact CB-CB 4.15Å; F418-L424 HydrophobicContact CD2-CB 3.96Å; F418-L424 HydrophobicContact CD2-CD1 3.78Å; F418-L424 HydrophobicContact CD2-CG 4.47Å; F418-L424 HydrophobicContact CE2-CD1 4.05Å; F418-L424 HydrophobicContact CG-CB 4.16Å; F418-H427 HydrophobicContact CE1-CB 3.84Å; F418-H427 HydrophobicContact CE2-CB 3.92Å; F418-H427 AromaticContact CE2-CD2 3.38Å; F418-H427 WeakPolarHBondContact CE2-CD2 3.45Å; F418-H427 AromaticContact CE2-CG 3.68Å; F418-H427 HydrophobicContact CZ-CB 3.41Å; F418-H427 VanDerWaalsContact CZ-CB 3.41Å; F418-H427 AromaticContact CZ-CD2 3.39Å; F418-H427 WeakPolarHBondContact CZ-CD2 3.45Å; F418-H427 AromaticContact CZ-CG 3.21Å; F418-H427 AromaticContact CZ-ND1 3.83Å
419	R	41.7	Very low	51.1	Low	197 Å²	197	74.6 Å²	74.6	74%	0.743	38%	0.381	S	S	*	.	S	Bend	trans	-76.1	-24.9	176.9	-65.3	-177.4	-176.9	171.9	2.5	113.1	K407	K407-R419 HydrophobicContact CG-CG 4.02Å
420	L	47.6	Very low	51.3	Low	91 Å²	91	76 Å²	76	48%	0.476	39%	0.394	S	S	.	.	S	Bend	trans	-134.8	138.9	-176	-64.1	176.4	0	0	0	110.1	Y409 S422 H423 L424	Y409-L420 VanDerWaalsContact CD2-C 3.49Å; L420-S422 PolarHBondContact O-N 3.22Å; L420-H423 PolarHBondContact O-N 3.34Å; L420-L424 PolarHBondContact O-N 3.12Å
421	N	43.3	Very low	51.9	Low	72 Å²	72	76 Å²	76	39%	0.385	39%	0.387	S	S	.	.	H	α-helix	trans	-60.7	-31.7	179.3	-162.8	52	0	0	0	112.8	Y409 H423 L424 I425	Y409-N421 HydrophobicContact CD1-CB 3.78Å; Y409-N421 WeakPolarHBondContact CD1-OD1 3.28Å; Y409-N421 HydrophobicContact CD2-CB 4.31Å; Y409-N421 VanDerWaalsContact CD2-N 3.31Å; Y409-N421 HydrophobicContact CE1-CB 3.66Å; Y409-N421 HydrophobicContact CE2-CB 4.17Å; Y409-N421 HydrophobicContact CG-CB 4.12Å; N421-H423 VanDerWaalsContact C-N 3.29Å; N421-H423 PolarHBondContact O-N 3.16Å; N421-L424 PolarHBondContact O-N 3.23Å; N421-I425 WeakPolarHBondContact ND2-CD1 3.31Å; N421-I425 WeakPolarHBondContact O-CG1 3.4Å; N421-I425 PolarHBondContact O-N 3.29Å
422	S	47.4	Very low	51.4	Low	69 Å²	69	79.8 Å²	79.8	48%	0.483	41%	0.411	S	S	.	.	H	α-helix	trans	-59.1	-39.2	174.3	48.4	0	0	0	0	112.5	L420 Q426	L420-S422 PolarHBondContact O-N 3.22Å; S422-Q426 VanDerWaalsContact O-CB 3.26Å; S422-Q426 WeakPolarHBondContact O-CB 3.35Å; S422-Q426 PolarHBondContact O-N 3.4Å
423	H	55.8	Low	50.9	Low	87 Å²	87	77 Å²	77	40%	0.403	40%	0.403	S	S	.	.	H	α-helix	trans	-76.3	-32.2	178.7	-59	169	0	0	0	111.8	F418 L420 N421 H427	F418-H423 HydrophobicContact CB-CB 4.42Å; F418-H423 HydrophobicContact CD1-CB 3.83Å; F418-H423 HydrophobicContact CG-CB 4.44Å; L420-H423 PolarHBondContact O-N 3.34Å; N421-H423 VanDerWaalsContact C-N 3.29Å; N421-H423 PolarHBondContact O-N 3.16Å; H423-H427 WeakPolarHBondContact O-CB 3.45Å; H423-H427 PolarHBondContact O-N 3.07Å
424	L	50.7	Low	50.6	Low	12 Å²	12	75 Å²	75	6%	0.063	39%	0.394	C	S	.	.	H	α-helix	trans	-63.5	-48.9	170.3	172.7	60.3	0	0	0	111	T410 C411 F418 L420 N421 Q426 H427 Q428	T410-L424 WeakPolarHBondContact O-CD2 3.41Å; C411-L424 HydrophobicContact CB-CD1 3.66Å; F418-L424 HydrophobicContact CB-CB 4.15Å; F418-L424 HydrophobicContact CD2-CB 3.96Å; F418-L424 HydrophobicContact CD2-CD1 3.78Å; F418-L424 HydrophobicContact CD2-CG 4.47Å; F418-L424 HydrophobicContact CE2-CD1 4.05Å; F418-L424 HydrophobicContact CG-CB 4.16Å; L420-L424 PolarHBondContact O-N 3.12Å; N421-L424 PolarHBondContact O-N 3.23Å; L424-Q426 VanDerWaalsContact C-N 3.34Å; L424-Q426 PolarHBondContact O-N 3.36Å; L424-H427 CarbonylContact O-C 3.33Å; L424-H427 WeakPolarHBondContact O-CA 3.39Å; L424-H427 WeakPolarHBondContact O-CB 3.32Å; L424-H427 PolarHBondContact O-N 3.13Å; L424-H427 VanDerWaalsContact O-N 3.08Å; L424-Q428 HydrophobicContact CD1-CG 4.01Å; L424-Q428 HydrophobicContact CG-CG 4.43Å; L424-Q428 WeakPolarHBondContact O-CG 3.47Å; L424-Q428 PolarHBondContact O-N 3.47Å
425	I	55.1	Low	50.6	Low	74 Å²	74	79.5 Å²	79.5	38%	0.379	41%	0.408	S	S	.	.	H	α-helix	trans	-61.6	-42.7	178.5	-68.7	166.4	0	0	0	111	N421 H427 Q428 R429	N421-I425 WeakPolarHBondContact ND2-CD1 3.31Å; N421-I425 WeakPolarHBondContact O-CG1 3.4Å; N421-I425 PolarHBondContact O-N 3.29Å; I425-H427 VanDerWaalsContact C-N 3.28Å; I425-H427 PolarHBondContact O-N 3.3Å; I425-Q428 PolarHBondContact O-N 2.69Å; I425-R429 PolarHBondContact O-N 2.87Å
426	Q	53.6	Low	50.8	Low	68 Å²	68	81.6 Å²	81.6	32%	0.318	41%	0.406	S	S	.	.	H	α-helix	trans	-61.3	-36.5	174	-178.8	-176.6	8.4	0	0	112.2	S422 L424 Q448	S422-Q426 VanDerWaalsContact O-CB 3.26Å; S422-Q426 WeakPolarHBondContact O-CB 3.35Å; S422-Q426 PolarHBondContact O-N 3.4Å; L424-Q426 VanDerWaalsContact C-N 3.34Å; L424-Q426 PolarHBondContact O-N 3.36Å; Q426-Q448 HydrophobicContact CG-CG 4.37Å
427	H	61.2	Low	51.4	Low	20 Å²	20	77.8 Å²	77.8	9%	0.093	39%	0.39	C	S	.	.	H	α-helix	trans	-74.1	-37.8	176.9	172.5	63.6	0	0	0	113	C414 F418 H423 L424 I425 R429 I430 H431	C414-H427 PolarHBondContact SG-NE2 3.22Å; F418-H427 HydrophobicContact CE1-CB 3.84Å; F418-H427 HydrophobicContact CE2-CB 3.92Å; F418-H427 AromaticContact CE2-CD2 3.38Å; F418-H427 WeakPolarHBondContact CE2-CD2 3.45Å; F418-H427 AromaticContact CE2-CG 3.68Å; F418-H427 HydrophobicContact CZ-CB 3.41Å; F418-H427 VanDerWaalsContact CZ-CB 3.41Å; F418-H427 AromaticContact CZ-CD2 3.39Å; F418-H427 WeakPolarHBondContact CZ-CD2 3.45Å; F418-H427 AromaticContact CZ-CG 3.21Å; F418-H427 AromaticContact CZ-ND1 3.83Å; H423-H427 WeakPolarHBondContact O-CB 3.45Å; H423-H427 PolarHBondContact O-N 3.07Å; L424-H427 CarbonylContact O-C 3.33Å; L424-H427 WeakPolarHBondContact O-CA 3.39Å; L424-H427 WeakPolarHBondContact O-CB 3.32Å; L424-H427 PolarHBondContact O-N 3.13Å; L424-H427 VanDerWaalsContact O-N 3.08Å; I425-H427 VanDerWaalsContact C-N 3.28Å; I425-H427 PolarHBondContact O-N 3.3Å; H427-R429 PolarHBondContact O-N 3.03Å; H427-I430 VanDerWaalsContact O-CB 3.24Å; H427-I430 WeakPolarHBondContact O-CB 3.43Å; H427-I430 WeakPolarHBondContact O-CG1 3.4Å; H427-I430 PolarHBondContact O-N 3.45Å; H427-H431 AromaticContact CD2-NE2 3.89Å; H427-H431 AromaticContact CE1-NE2 3.59Å; H427-H431 AromaticContact NE2-CD2 3.99Å; H427-H431 AromaticContact NE2-CE1 3.93Å; H427-H431 AromaticContact NE2-NE2 3.09Å; H427-H431 PolarHBondContact NE2-NE2 3.14Å
428	Q	48.6	Very low	51.5	Low	65 Å²	65	80 Å²	80	30%	0.304	40%	0.398	S	S	.	.	H	α-helix	trans	-60.3	-28.8	178.4	-77.1	171.5	-49.9	0	0	112.7	L424 I425 I430 H431 T432	L424-Q428 HydrophobicContact CD1-CG 4.01Å; L424-Q428 HydrophobicContact CG-CG 4.43Å; L424-Q428 WeakPolarHBondContact O-CG 3.47Å; L424-Q428 PolarHBondContact O-N 3.47Å; I425-Q428 PolarHBondContact O-N 2.69Å; Q428-I430 PolarHBondContact O-N 3.43Å; Q428-I430 VanDerWaalsContact O-N 3.13Å; Q428-H431 PolarHBondContact O-N 2.82Å; Q428-T432 PolarHBondContact O-N 3.07Å; Q428-T432 PolarHBondContact O-OG1 3.4Å
429	R	58.7	Low	51.7	Low	55 Å²	55	78.1 Å²	78.1	21%	0.208	39%	0.39	C	S	.	.	H	α-helix	trans	-60.7	-17	171.9	-62.6	174	-172.3	-174.2	-2.1	114.5	I425 H427 T432 G433 E434 S447	I425-R429 PolarHBondContact O-N 2.87Å; H427-R429 PolarHBondContact O-N 3.03Å; R429-T432 WeakPolarHBondContact CA-OG1 3.45Å; R429-G433 WeakPolarHBondContact O-CA 3.39Å; R429-G433 PolarHBondContact O-N 3.04Å; R429-G433 VanDerWaalsContact O-N 3.09Å; R429-E434 HydrophobicContact CB-CB 4.45Å; R429-E434 HydrophobicContact CG-CB 4.24Å; R429-E434 PolarHBondContact O-N 3.12Å; R429-S447 WeakPolarHBondContact CD-O 3.28Å; R429-S447 PolarHBondContact NH1-O 3.4Å
430	I	54.1	Low	52.7	Low	121 Å²	121	76.1 Å²	76.1	62%	0.621	39%	0.394	S	S	*	.	H	α-helix	trans	-74.2	-35.2	173.3	-56.2	178.3	0	0	0	110.2	H427 Q428	H427-I430 VanDerWaalsContact O-CB 3.24Å; H427-I430 WeakPolarHBondContact O-CB 3.43Å; H427-I430 WeakPolarHBondContact O-CG1 3.4Å; H427-I430 PolarHBondContact O-N 3.45Å; Q428-I430 PolarHBondContact O-N 3.43Å; Q428-I430 VanDerWaalsContact O-N 3.13Å
431	H	54.7	Low	53.1	Low	79 Å²	79	77.4 Å²	77.4	37%	0.366	40%	0.398	S	S	.	.	H	α-helix	trans	-82.9	-39	178.3	-53.5	-57.5	0	0	0	112	C411 E413 C414 H427 Q428	C411-H431 PolarHBondContact SG-NE2 3.43Å; E413-H431 HydrophobicContact CB-CB 4.35Å; E413-H431 HydrophobicContact CG-CB 4.14Å; C414-H431 PolarHBondContact SG-NE2 3.08Å; C414-H431 VanDerWaalsContact SG-NE2 3.38Å; H427-H431 AromaticContact CD2-NE2 3.89Å; H427-H431 AromaticContact CE1-NE2 3.59Å; H427-H431 AromaticContact NE2-CD2 3.99Å; H427-H431 AromaticContact NE2-CE1 3.93Å; H427-H431 AromaticContact NE2-NE2 3.09Å; H427-H431 PolarHBondContact NE2-NE2 3.14Å; Q428-H431 PolarHBondContact O-N 2.82Å
432	T	48.3	Very low	54.1	Low	84 Å²	84	76.7 Å²	76.7	52%	0.515	40%	0.398	S	S	.	.	H	α-helix	trans	-82.7	-11	178.7	62.3	0	0	0	0	113.9	Q428 R429 E434	Q428-T432 PolarHBondContact O-N 3.07Å; Q428-T432 PolarHBondContact O-OG1 3.4Å; R429-T432 WeakPolarHBondContact CA-OG1 3.45Å; T432-E434 PolarHBondContact O-N 3.28Å; T432-E434 WeakPolarHBondContact OG1-CG 3.34Å
433	G	50.1	Low	54.2	Low	48 Å²	48	75.4 Å²	75.4	50%	0.495	40%	0.395	S	S	.	.			trans	67.8	7.8	-176.8	0	0	0	0	0	114.9	R429 K435	R429-G433 WeakPolarHBondContact O-CA 3.39Å; R429-G433 PolarHBondContact O-N 3.04Å; R429-G433 VanDerWaalsContact O-N 3.09Å; G433-K435 PolarHBondContact O-N 3.39Å
434	E	45.1	Very low	53.9	Low	93 Å²	93	77.4 Å²	77.4	44%	0.435	40%	0.403	S	S	.	.			trans	-62.4	113.8	-172.5	-80.1	172.1	-161.4	0	0	113.3	R429 T432 L436 S447	R429-E434 HydrophobicContact CB-CB 4.45Å; R429-E434 HydrophobicContact CG-CB 4.24Å; R429-E434 PolarHBondContact O-N 3.12Å; T432-E434 PolarHBondContact O-N 3.28Å; T432-E434 WeakPolarHBondContact OG1-CG 3.34Å; E434-L436 HydrophobicContact CB-CD2 4.47Å; E434-L436 HydrophobicContact CB-CG 4.5Å; E434-S447 WeakPolarHBondContact O-CA 3.44Å; E434-S447 WeakPolarHBondContact O-CB 3.46Å
435	K	56	Low	53.7	Low	144 Å²	144	78.3 Å²	78.3	63%	0.626	41%	0.412	S	S	*	.			trans	-107.3	86.7	176.4	-71.7	165.5	169.8	-177.2	0	110.1	G433 H437 A445 F446	G433-K435 PolarHBondContact O-N 3.39Å; K435-H437 PolarHBondContact O-N 3.16Å; K435-A445 HydrophobicContact CB-CB 3.6Å; K435-A445 HydrophobicContact CD-CB 4.29Å; K435-A445 VanDerWaalsContact CD-O 3.27Å; K435-A445 WeakPolarHBondContact CD-O 3.02Å; K435-A445 HydrophobicContact CG-CB 4.46Å; K435-A445 WeakPolarHBondContact CG-O 3.35Å; K435-F446 CarbonylContact C-O 3.55Å; K435-F446 WeakPolarHBondContact CA-O 3.4Å
436	L	49.8	Very low	53.7	Low	97 Å²	97	77.1 Å²	77.1	51%	0.508	40%	0.404	S	S	.	.			trans	-83.6	-3.1	-172.8	-57.6	178.8	0	0	0	115.1	E434 F446	E434-L436 HydrophobicContact CB-CD2 4.47Å; E434-L436 HydrophobicContact CB-CG 4.5Å; L436-F446 PolarHBondContact N-O 3.45Å; L436-F446 VanDerWaalsContact N-O 3.11Å
437	H	58.8	Low	53.2	Low	46 Å²	46	75.7 Å²	75.7	21%	0.213	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	92.5	-173.7	-61	-58.3	0	0	0	110.5	K435 A445 F446 T449 L452	K435-H437 PolarHBondContact O-N 3.16Å; H437-A445 CarbonylContact O-C 3.55Å; H437-A445 WeakPolarHBondContact O-CA 3.43Å; H437-F446 HydrophobicContact CB-CB 4.45Å; H437-F446 WeakPolarHBondContact CB-O 3.5Å; H437-F446 PolarHBondContact N-O 3.11Å; H437-F446 PolarHBondContact O-N 2.98Å; H437-T449 PolarHBondContact CD2-N 2.89Å; H437-T449 VanDerWaalsContact CD2-N 3.32Å; H437-T449 PolarHBondContact CE1-OG1 3.34Å; H437-T449 VanDerWaalsContact CE1-OG1 3.31Å; H437-T449 PolarHBondContact NE2-OG1 2.92Å; H437-T449 VanDerWaalsContact NE2-OG1 3.1Å; H437-L452 HydrophobicContact CB-CB 4.11Å; H437-L452 HydrophobicContact CB-CD2 3.83Å; H437-L452 HydrophobicContact CB-CG 4.49Å
438	E	47.8	Very low	52.7	Low	118 Å²	118	77.5 Å²	77.5	55%	0.551	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.3	141.9	178.8	-167	174.9	170.1	0	0	112.4	G443 A445	E438-G443 WeakPolarHBondContact OE1-CA 3.27Å; E438-A445 HydrophobicContact CB-CB 4.35Å; E438-A445 HydrophobicContact CG-CB 4.43Å
439	C	57	Low	52.5	Low	0 Å²	0	77.8 Å²	77.8	0%	0	42%	0.416	C	S	.	.			trans	-86.5	109.7	172	-176.5	0	0	0	0	110.8	E441 C442 G443 K444 L452 H455 H456 H459	C439-E441 PolarHBondContact O-N 3.34Å; C439-C442 PolarHBondContact O-N 3.1Å; C439-C442 VanDerWaalsContact O-N 3.12Å; C439-G443 WeakPolarHBondContact O-CA 3.4Å; C439-G443 PolarHBondContact O-N 3.05Å; C439-K444 WeakPolarHBondContact CB-O 3.37Å; C439-K444 PolarHBondContact N-O 2.98Å; C439-L452 HydrophobicContact CB-CD1 3.66Å; C439-H455 VanDerWaalsContact SG-CD2 3.54Å; C439-H455 PolarHBondContact SG-NE2 2.99Å; C439-H456 PolarHBondContact SG-CE1 3.15Å; C439-H459 VanDerWaalsContact SG-CD2 3.54Å; C439-H459 PolarHBondContact SG-NE2 2.76Å
440	N	63.3	Low	52	Low	155 Å²	155	78.4 Å²	78.4	83%	0.829	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-14.9	177.9	-61.2	-15	0	0	0	114.5
441	E	56.3	Low	52.1	Low	119 Å²	119	74.8 Å²	74.8	56%	0.556	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-17.8	-177.9	-63.4	169.5	133.5	0	0	113.1	C439 H456 H459	C439-E441 PolarHBondContact O-N 3.34Å; E441-H456 IonicContact OE2-CE1 3.25Å; E441-H456 PolarHBondContact OE2-CE1 3.36Å; E441-H456 IonicContact OE2-CG 3.01Å; E441-H456 IonicContact OE2-ND1 3.56Å; E441-H456 PolarHBondContact OE2-ND1 3.19Å; E441-H459 WeakPolarHBondContact OE2-CB 3.46Å; E441-H459 IonicContact OE2-CD2 2.67Å; E441-H459 PolarHBondContact OE2-CD2 3.07Å; E441-H459 IonicContact OE2-CG 3.81Å
442	C	63	Low	51.8	Low	57 Å²	57	72 Å²	72	39%	0.385	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-153.7	10.1	-179.7	72.8	0	0	0	0	116.5	C439 K444 H455 H459	C439-C442 PolarHBondContact O-N 3.1Å; C439-C442 VanDerWaalsContact O-N 3.12Å; C442-K444 PolarHBondContact O-N 3.25Å; C442-K444 VanDerWaalsContact O-N 3.09Å; C442-H455 PolarHBondContact SG-NE2 3.02Å; C442-H459 PolarHBondContact SG-CE1 3.46Å; C442-H459 PolarHBondContact SG-NE2 2.98Å; C442-H459 VanDerWaalsContact SG-NE2 3.39Å
443	G	49.4	Very low	52.2	Low	42 Å²	42	72.9 Å²	72.9	43%	0.433	40%	0.402	S	S	.	.			trans	68.8	2.4	178.6	0	0	0	0	0	115.7	E438 C439 A445	E438-G443 WeakPolarHBondContact OE1-CA 3.27Å; C439-G443 WeakPolarHBondContact O-CA 3.4Å; C439-G443 PolarHBondContact O-N 3.05Å; G443-A445 PolarHBondContact O-N 3.28Å
444	K	50	Low	52.2	Low	129 Å²	129	75.1 Å²	75.1	56%	0.561	40%	0.4	S	S	*	.			trans	-71.1	118.7	178.5	-73.3	-178.9	179.9	178.9	0	110.3	C439 C442 F446	C439-K444 WeakPolarHBondContact CB-O 3.37Å; C439-K444 PolarHBondContact N-O 2.98Å; C442-K444 PolarHBondContact O-N 3.25Å; C442-K444 VanDerWaalsContact O-N 3.09Å; K444-F446 HydrophobicContact CB-CE2 3.84Å; K444-F446 HydrophobicContact CB-CZ 4.07Å; K444-F446 WeakPolarHBondContact O-CD2 3.44Å; K444-F446 VanDerWaalsContact O-CE2 3.24Å; K444-F446 WeakPolarHBondContact O-CE2 3.17Å
445	A	46.7	Very low	52.9	Low	31 Å²	31	71.7 Å²	71.7	26%	0.256	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	137.6	-179.8	0	0	0	0	0	112.8	K435 H437 E438 G443	K435-A445 HydrophobicContact CB-CB 3.6Å; K435-A445 HydrophobicContact CD-CB 4.29Å; K435-A445 VanDerWaalsContact CD-O 3.27Å; K435-A445 WeakPolarHBondContact CD-O 3.02Å; K435-A445 HydrophobicContact CG-CB 4.46Å; K435-A445 WeakPolarHBondContact CG-O 3.35Å; H437-A445 CarbonylContact O-C 3.55Å; H437-A445 WeakPolarHBondContact O-CA 3.43Å; E438-A445 HydrophobicContact CB-CB 4.35Å; E438-A445 HydrophobicContact CG-CB 4.43Å; G443-A445 PolarHBondContact O-N 3.28Å
446	F	54.4	Low	52.5	Low	49 Å²	49	67.7 Å²	67.7	22%	0.215	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	148.4	-175	-60.4	-91.3	0	0	0	111.4	K435 L436 H437 K444 Q448 C451 L452 H455	K435-F446 CarbonylContact C-O 3.55Å; K435-F446 WeakPolarHBondContact CA-O 3.4Å; L436-F446 PolarHBondContact N-O 3.45Å; L436-F446 VanDerWaalsContact N-O 3.11Å; H437-F446 HydrophobicContact CB-CB 4.45Å; H437-F446 WeakPolarHBondContact CB-O 3.5Å; H437-F446 PolarHBondContact N-O 3.11Å; H437-F446 PolarHBondContact O-N 2.98Å; K444-F446 HydrophobicContact CB-CE2 3.84Å; K444-F446 HydrophobicContact CB-CZ 4.07Å; K444-F446 WeakPolarHBondContact O-CD2 3.44Å; K444-F446 VanDerWaalsContact O-CE2 3.24Å; K444-F446 WeakPolarHBondContact O-CE2 3.17Å; F446-Q448 VanDerWaalsContact C-N 3.29Å; F446-Q448 PolarHBondContact O-N 2.93Å; F446-C451 HydrophobicContact CB-CB 4.17Å; F446-C451 HydrophobicContact CD1-CB 3.73Å; F446-C451 HydrophobicContact CG-CB 4.18Å; F446-L452 HydrophobicContact CB-CB 4.49Å; F446-L452 HydrophobicContact CD2-CB 4.11Å; F446-L452 HydrophobicContact CD2-CD1 3.75Å; F446-L452 HydrophobicContact CE2-CD1 4.01Å; F446-L452 HydrophobicContact CG-CB 4.47Å; F446-H455 HydrophobicContact CE1-CB 4.19Å; F446-H455 HydrophobicContact CE2-CB 3.82Å; F446-H455 AromaticContact CE2-CD2 3.37Å; F446-H455 WeakPolarHBondContact CE2-CD2 3.3Å; F446-H455 AromaticContact CE2-CG 3.57Å; F446-H455 HydrophobicContact CZ-CB 3.51Å; F446-H455 AromaticContact CZ-CD2 3.6Å; F446-H455 AromaticContact CZ-CG 3.32Å; F446-H455 AromaticContact CZ-ND1 3.82Å
447	S	43.5	Very low	52.8	Low	37 Å²	37	70.6 Å²	70.6	26%	0.259	38%	0.375	S	S	.	.	S	Bend	trans	-78	-11.7	176	56.9	0	0	0	0	113.7	R429 E434	R429-S447 WeakPolarHBondContact CD-O 3.28Å; R429-S447 PolarHBondContact NH1-O 3.4Å; E434-S447 WeakPolarHBondContact O-CA 3.44Å; E434-S447 WeakPolarHBondContact O-CB 3.46Å
448	Q	50.9	Low	52.4	Low	58 Å²	58	75.2 Å²	75.2	27%	0.271	40%	0.399	S	S	.	.	S	Bend	trans	-139.6	142.3	-176.9	-51.4	-176.4	25.1	0	0	112.3	Q426 F446 S450 C451 L452	Q426-Q448 HydrophobicContact CG-CG 4.37Å; F446-Q448 VanDerWaalsContact C-N 3.29Å; F446-Q448 PolarHBondContact O-N 2.93Å; Q448-S450 VanDerWaalsContact C-N 3.34Å; Q448-S450 PolarHBondContact O-N 3.33Å; Q448-C451 PolarHBondContact O-N 3.42Å; Q448-L452 PolarHBondContact O-N 3.35Å
449	T	45	Very low	52.9	Low	72 Å²	72	72.9 Å²	72.9	44%	0.442	39%	0.388	S	S	.	.	H	α-helix	trans	-67.9	-31.6	-179.5	-32.6	0	0	0	0	112.9	H437 L452 I453	H437-T449 PolarHBondContact CD2-N 2.89Å; H437-T449 VanDerWaalsContact CD2-N 3.32Å; H437-T449 PolarHBondContact CE1-OG1 3.34Å; H437-T449 VanDerWaalsContact CE1-OG1 3.31Å; H437-T449 PolarHBondContact NE2-OG1 2.92Å; H437-T449 VanDerWaalsContact NE2-OG1 3.1Å; T449-L452 PolarHBondContact O-N 3.19Å; T449-I453 HydrophobicContact CG2-CD1 4.26Å; T449-I453 VanDerWaalsContact O-CG1 3.29Å; T449-I453 WeakPolarHBondContact O-CG1 3.45Å; T449-I453 PolarHBondContact O-N 3Å
450	S	48.8	Very low	52.5	Low	68 Å²	68	80.8 Å²	80.8	48%	0.476	42%	0.418	S	S	.	.	H	α-helix	trans	-58.1	-46.2	173.6	42	0	0	0	0	112	Q448 I453 Q454	Q448-S450 VanDerWaalsContact C-N 3.34Å; Q448-S450 PolarHBondContact O-N 3.33Å; S450-I453 PolarHBondContact O-N 3.31Å; S450-Q454 PolarHBondContact O-N 2.98Å
451	C	56	Low	51.6	Low	45 Å²	45	83.1 Å²	83.1	30%	0.304	42%	0.42	S	S	.	.	H	α-helix	trans	-64	-40.7	176.5	-55.5	0	0	0	0	111.5	F446 Q448 Q454 H455	F446-C451 HydrophobicContact CB-CB 4.17Å; F446-C451 HydrophobicContact CD1-CB 3.73Å; F446-C451 HydrophobicContact CG-CB 4.18Å; Q448-C451 PolarHBondContact O-N 3.42Å; C451-Q454 PolarHBondContact O-N 3.45Å; C451-H455 VanDerWaalsContact O-CB 3.25Å; C451-H455 WeakPolarHBondContact O-CB 3.38Å; C451-H455 PolarHBondContact O-N 3.47Å
452	L	48.2	Very low	50.7	Low	21 Å²	21	84.1 Å²	84.1	11%	0.11	43%	0.425	C	S	.	.	H	α-helix	trans	-63.7	-41.9	174.8	-179.6	65.9	0	0	0	111.9	H437 C439 F446 Q448 T449 H455 H456	H437-L452 HydrophobicContact CB-CB 4.11Å; H437-L452 HydrophobicContact CB-CD2 3.83Å; H437-L452 HydrophobicContact CB-CG 4.49Å; C439-L452 HydrophobicContact CB-CD1 3.66Å; F446-L452 HydrophobicContact CB-CB 4.49Å; F446-L452 HydrophobicContact CD2-CB 4.11Å; F446-L452 HydrophobicContact CD2-CD1 3.75Å; F446-L452 HydrophobicContact CE2-CD1 4.01Å; F446-L452 HydrophobicContact CG-CB 4.47Å; Q448-L452 PolarHBondContact O-N 3.35Å; T449-L452 PolarHBondContact O-N 3.19Å; L452-H455 WeakPolarHBondContact O-CB 3.38Å; L452-H455 PolarHBondContact O-N 2.97Å; L452-H456 PolarHBondContact O-CD2 3.04Å; L452-H456 VanDerWaalsContact O-CD2 3.29Å; L452-H456 PolarHBondContact O-N 3.41Å
453	I	55.3	Low	49.3	Very low	101 Å²	101	91.4 Å²	91.4	52%	0.518	45%	0.45	S	S	.	.	H	α-helix	trans	-64.4	-42.6	177.2	-69.7	163.3	0	0	0	111	T449 S450 H455 H456 K457	T449-I453 HydrophobicContact CG2-CD1 4.26Å; T449-I453 VanDerWaalsContact O-CG1 3.29Å; T449-I453 WeakPolarHBondContact O-CG1 3.45Å; T449-I453 PolarHBondContact O-N 3Å; S450-I453 PolarHBondContact O-N 3.31Å; I453-H455 VanDerWaalsContact C-N 3.29Å; I453-H455 PolarHBondContact O-N 2.95Å; I453-H456 PolarHBondContact O-N 2.96Å; I453-K457 PolarHBondContact O-N 3.48Å
454	Q	51	Low	48.1	Very low	96 Å²	96	94 Å²	94	45%	0.449	46%	0.462	S	S	.	.	H	α-helix	trans	-63.3	-37.5	173.7	-175.1	177	-2.6	0	0	111.4	S450 C451 K457	S450-Q454 PolarHBondContact O-N 2.98Å; C451-Q454 PolarHBondContact O-N 3.45Å; Q454-K457 WeakPolarHBondContact O-CB 3.42Å; Q454-K457 PolarHBondContact O-N 2.88Å
455	H	60	Low	46.9	Very low	21 Å²	21	98.4 Å²	98.4	10%	0.097	48%	0.476	C	S	.	.	H	α-helix	trans	-68.8	-39.7	177.3	175.6	60.9	0	0	0	113.4	C439 C442 F446 C451 L452 I453 K457 M458 H459	C439-H455 VanDerWaalsContact SG-CD2 3.54Å; C439-H455 PolarHBondContact SG-NE2 2.99Å; C442-H455 PolarHBondContact SG-NE2 3.02Å; F446-H455 HydrophobicContact CE1-CB 4.19Å; F446-H455 HydrophobicContact CE2-CB 3.82Å; F446-H455 AromaticContact CE2-CD2 3.37Å; F446-H455 WeakPolarHBondContact CE2-CD2 3.3Å; F446-H455 AromaticContact CE2-CG 3.57Å; F446-H455 HydrophobicContact CZ-CB 3.51Å; F446-H455 AromaticContact CZ-CD2 3.6Å; F446-H455 AromaticContact CZ-CG 3.32Å; F446-H455 AromaticContact CZ-ND1 3.82Å; C451-H455 VanDerWaalsContact O-CB 3.25Å; C451-H455 WeakPolarHBondContact O-CB 3.38Å; C451-H455 PolarHBondContact O-N 3.47Å; L452-H455 WeakPolarHBondContact O-CB 3.38Å; L452-H455 PolarHBondContact O-N 2.97Å; I453-H455 VanDerWaalsContact C-N 3.29Å; I453-H455 PolarHBondContact O-N 2.95Å; H455-K457 PolarHBondContact O-N 3.36Å; H455-M458 VanDerWaalsContact O-CB 3.31Å; H455-M458 WeakPolarHBondContact O-CB 3.49Å; H455-M458 PolarHBondContact O-N 2.69Å; H455-H459 AromaticContact CD2-NE2 3.74Å; H455-H459 AromaticContact CE1-CE1 3.87Å; H455-H459 AromaticContact CE1-NE2 3.36Å; H455-H459 PolarHBondContact CE1-NE2 3.26Å; H455-H459 AromaticContact NE2-CD2 3.9Å; H455-H459 AromaticContact NE2-CE1 3.81Å; H455-H459 AromaticContact NE2-NE2 2.97Å; H455-H459 PolarHBondContact NE2-NE2 3.43Å
456	H	47.3	Very low	45.9	Very low	60 Å²	60	106.5 Å²	106.5	28%	0.278	51%	0.509	S	S	.	.	H	α-helix	trans	-62.4	-28.3	174	-81.5	-67.3	0	0	0	113.3	C439 E441 L452 I453 M458 H459 R460	C439-H456 PolarHBondContact SG-CE1 3.15Å; E441-H456 IonicContact OE2-CE1 3.25Å; E441-H456 PolarHBondContact OE2-CE1 3.36Å; E441-H456 IonicContact OE2-CG 3.01Å; E441-H456 IonicContact OE2-ND1 3.56Å; E441-H456 PolarHBondContact OE2-ND1 3.19Å; L452-H456 PolarHBondContact O-CD2 3.04Å; L452-H456 VanDerWaalsContact O-CD2 3.29Å; L452-H456 PolarHBondContact O-N 3.41Å; I453-H456 PolarHBondContact O-N 2.96Å; H456-M458 PolarHBondContact O-N 3.15Å; H456-H459 PolarHBondContact O-N 3.02Å; H456-R460 PolarHBondContact O-N 3.48Å
457	K	55.7	Low	44.4	Very low	157 Å²	157	112.2 Å²	112.2	68%	0.683	53%	0.53	S	S	*	.	H	α-helix	trans	-64.3	-15.3	170.5	-65.1	-179.4	176.6	-169.6	0	113.5	I453 Q454 H455	I453-K457 PolarHBondContact O-N 3.48Å; Q454-K457 WeakPolarHBondContact O-CB 3.42Å; Q454-K457 PolarHBondContact O-N 2.88Å; H455-K457 PolarHBondContact O-N 3.36Å
458	M	51.8	Low	43.4	Very low	144 Å²	144	117.5 Å²	117.5	71%	0.709	56%	0.556	S	S	*	*	H	α-helix	trans	-86.7	-25.5	174.8	-58.9	-163.8	71.9	0	0	113.5	H455 H456	H455-M458 VanDerWaalsContact O-CB 3.31Å; H455-M458 WeakPolarHBondContact O-CB 3.49Å; H455-M458 PolarHBondContact O-N 2.69Å; H456-M458 PolarHBondContact O-N 3.15Å
459	H	57.8	Low	42.4	Very low	69 Å²	69	118.9 Å²	118.9	32%	0.319	57%	0.565	S	S	.	*	H	α-helix	trans	-74.6	-40.1	172.3	-64.6	-54.2	0	0	0	111	C439 E441 C442 H455 H456 K461	C439-H459 VanDerWaalsContact SG-CD2 3.54Å; C439-H459 PolarHBondContact SG-NE2 2.76Å; E441-H459 WeakPolarHBondContact OE2-CB 3.46Å; E441-H459 IonicContact OE2-CD2 2.67Å; E441-H459 PolarHBondContact OE2-CD2 3.07Å; E441-H459 IonicContact OE2-CG 3.81Å; C442-H459 PolarHBondContact SG-CE1 3.46Å; C442-H459 PolarHBondContact SG-NE2 2.98Å; C442-H459 VanDerWaalsContact SG-NE2 3.39Å; H455-H459 AromaticContact CD2-NE2 3.74Å; H455-H459 AromaticContact CE1-CE1 3.87Å; H455-H459 AromaticContact CE1-NE2 3.36Å; H455-H459 PolarHBondContact CE1-NE2 3.26Å; H455-H459 AromaticContact NE2-CD2 3.9Å; H455-H459 AromaticContact NE2-CE1 3.81Å; H455-H459 AromaticContact NE2-NE2 2.97Å; H455-H459 PolarHBondContact NE2-NE2 3.43Å; H456-H459 PolarHBondContact O-N 3.02Å; H459-K461 PolarHBondContact O-N 2.92Å
460	R	48.6	Very low	41.4	Very low	165 Å²	165	126.1 Å²	126.1	62%	0.623	59%	0.586	S	S	*	*	S	Bend	trans	-85.4	86.1	176.6	-159	-179.3	-142.6	-117.4	1.9	110.5	H456 E462	H456-R460 PolarHBondContact O-N 3.48Å; R460-E462 WeakPolarHBondContact CD-OE2 3.49Å; R460-E462 HydrophobicContact CG-CG 4.38Å; R460-E462 IonicContact CZ-OE1 3.38Å; R460-E462 IonicContact CZ-OE2 3.75Å; R460-E462 IonicContact NE-OE2 2.69Å; R460-E462 IonicContact NH1-OE1 2.74Å; R460-E462 PolarHBondContact NH1-OE1 2.96Å; R460-E462 IonicContact NH1-OE2 2.93Å; R460-E462 PolarHBondContact NH1-OE2 3.48Å; R460-E462 PolarHBondContact O-N 3.26Å
461	K	43.7	Very low	40.8	Very low	204 Å²	204	131.8 Å²	131.8	89%	0.887	60%	0.604	S	S	*	*			trans	-64.8	63.1	176.3	-69	-173.6	177.5	-179.4	0	113.6	H459	H459-K461 PolarHBondContact O-N 2.92Å
462	E	36.8	Very low	39.4	Very low	141 Å²	141	137.5 Å²	137.5	66%	0.659	63%	0.627	S	S	*	*			trans	-90.9	100.3	169.6	-81.8	173.3	145.8	0	0	110.2	R460	R460-E462 WeakPolarHBondContact CD-OE2 3.49Å; R460-E462 HydrophobicContact CG-CG 4.38Å; R460-E462 IonicContact CZ-OE1 3.38Å; R460-E462 IonicContact CZ-OE2 3.75Å; R460-E462 IonicContact NE-OE2 2.69Å; R460-E462 IonicContact NH1-OE1 2.74Å; R460-E462 PolarHBondContact NH1-OE1 2.96Å; R460-E462 IonicContact NH1-OE2 2.93Å; R460-E462 PolarHBondContact NH1-OE2 3.48Å; R460-E462 PolarHBondContact O-N 3.26Å
463	K	34	Very low	38.6	Very low	210 Å²	210	143.7 Å²	143.7	91%	0.913	66%	0.66	S	S	*	*			trans	-80.1	123.7	165.1	-81	-171.9	173.2	-172.2	0	110.2
464	S	23.7	Very low	37	Very low	95 Å²	95	147.4 Å²	147.4	66%	0.664	67%	0.673	S	S	*	*			trans	-160.3	133.5	141.7	48.2	0	0	0	0	105.3
465	Y	24.8	Very low	36	Very low	223 Å²	223	147.2 Å²	147.2	88%	0.875	68%	0.682	S	S	*	*	S	Bend	cis	-128.4	-172.3	27.4	-6.1	-81.7	0	0	0	111.5
466	E	26.7	Very low	34.6	Very low	201 Å²	201	153.3 Å²	153.3	94%	0.939	71%	0.71	S	S	*	*			trans	-78.6	171.1	-155	-69.9	173.1	126.7	0	0	118
467	Y	22.1	Very low	33.7	Very low	169 Å²	169	156.7 Å²	156.7	66%	0.663	73%	0.73	S	S	*	*			trans	-72.5	145.7	-165.6	-164.5	-100.9	0	0	0	115	D469	Y467-D469 WeakPolarHBondContact CE1-OD1 3.24Å; Y467-D469 WeakPolarHBondContact CE1-OD2 3.46Å; Y467-D469 VanDerWaalsContact CZ-OD1 3.28Å; Y467-D469 PolarHBondContact OH-OD1 3.47Å
468	N	24.1	Very low	32.3	Very low	148 Å²	148	152 Å²	152	79%	0.791	72%	0.717	S	S	*	*				-149.2	147.8	122.5	-87.3	-39.5	0	0	0	107.7
469	D	28.1	Very low	31.5	Very low	87 Å²	87	149.4 Å²	149.4	47%	0.465	71%	0.706	S	S	.	*	S	Bend	trans	-43.8	139.7	-176.6	-56.8	-81.7	0	0	0	111.3	Y467	Y467-D469 WeakPolarHBondContact CE1-OD1 3.24Å; Y467-D469 WeakPolarHBondContact CE1-OD2 3.46Å; Y467-D469 VanDerWaalsContact CZ-OD1 3.28Å; Y467-D469 PolarHBondContact OH-OD1 3.47Å
470	Y	25.6	Very low	30.3	Very low	224 Å²	224	151.8 Å²	151.8	88%	0.878	72%	0.721	S	S	*	*				-154	147	59.8	-32.7	-75.6	0	0	0	110.3	E472	Y470-E472 PolarHBondContact O-N 3.49Å
471	E	34.7	Very low	29.5	Very low	186 Å²	186	150 Å²	150	87%	0.869	73%	0.729	S	S	*	*			trans	-81.3	107.6	179.9	-70.6	-162.7	144.8	0	0	113.7
472	E	28.2	Very low	29.1	Very low	166 Å²	166	147.1 Å²	147.1	78%	0.776	72%	0.722	S	S	*	*			trans	-139.4	126.6	145.5	-78.4	-159.9	160.4	0	0	110.7	Y470 F474	Y470-E472 PolarHBondContact O-N 3.49Å; E472-F474 HydrophobicContact CB-CD2 4.49Å; E472-F474 HydrophobicContact CB-CE2 4.32Å
473	N	29.6	Very low	29.1	Very low	150 Å²	150	148 Å²	148	80%	0.802	73%	0.726	S	S	*	*			trans	-89.3	110.7	-174.9	-78.6	-77.8	0	0	0	111.8
474	F	23.4	Very low	29	Very low	179 Å²	179	147.2 Å²	147.2	79%	0.785	73%	0.726	S	S	*	*			trans	-129.7	143.5	168.2	-73.7	-76.1	0	0	0	113.8	E472	E472-F474 HydrophobicContact CB-CD2 4.49Å; E472-F474 HydrophobicContact CB-CE2 4.32Å
475	S	30.3	Very low	29.3	Very low	93 Å²	93	151.5 Å²	151.5	65%	0.65	74%	0.735	S	S	*	*			trans	-113.7	70	-165.1	56.3	0	0	0	0	113
476	H	30	Very low	29.4	Very low	148 Å²	148	147.3 Å²	147.3	69%	0.685	73%	0.733	S	S	*	*			trans	-146.8	146.7	169.5	-129.3	-97.4	0	0	0	114.5	S478	H476-S478 VanDerWaalsContact C-N 3.27Å; H476-S478 PolarHBondContact O-N 3.4Å
477	N	28.1	Very low	30.1	Very low	131 Å²	131	143 Å²	143	70%	0.701	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.1	26.1	-177.9	-154.9	9.6	0	0	0	111.8	L480	N477-L480 WeakPolarHBondContact OD1-CD1 3.44Å
478	S	27.1	Very low	30.4	Very low	59 Å²	59	141.1 Å²	141.1	41%	0.413	73%	0.728	S	S	.	*	T	Hydrogen-bonded Turn	trans	-91.9	-25.2	178.2	43.5	0	0	0	0	113.1	H476 T481	H476-S478 VanDerWaalsContact C-N 3.27Å; H476-S478 PolarHBondContact O-N 3.4Å; S478-T481 PolarHBondContact O-OG1 3.38Å
479	D	33.9	Very low	31.1	Very low	89 Å²	89	146.1 Å²	146.1	48%	0.476	74%	0.736	S	S	.	*	G	3₁₀ helix	trans	-97.9	-9.4	-164.5	-51.8	-14.2	0	0	0	112	T481 L482	D479-T481 PolarHBondContact O-N 2.88Å; D479-T481 VanDerWaalsContact O-N 3.11Å; D479-L482 PolarHBondContact O-N 2.9Å
480	L	32.8	Very low	31.4	Very low	120 Å²	120	149.8 Å²	149.8	63%	0.628	75%	0.75	S	S	*	*	G	3₁₀ helix	trans	-67.1	-4.6	175.4	-93.8	162.6	0	0	0	114.7	N477	N477-L480 WeakPolarHBondContact OD1-CD1 3.44Å
481	T	32.8	Very low	32	Very low	127 Å²	127	141.6 Å²	141.6	78%	0.779	73%	0.726	S	S	*	*	G	3₁₀ helix	trans	-87.2	1.4	171.3	36.8	0	0	0	0	114.6	S478 D479	S478-T481 PolarHBondContact O-OG1 3.38Å; D479-T481 PolarHBondContact O-N 2.88Å; D479-T481 VanDerWaalsContact O-N 3.11Å
482	L	34.7	Very low	32.8	Very low	144 Å²	144	137.1 Å²	137.1	75%	0.754	71%	0.711	S	S	*	*	S	Bend	trans	-121.3	15.7	-177.8	-70.2	173.6	0	0	0	114.9	D479	D479-L482 PolarHBondContact O-N 2.9Å
483	Q	36	Very low	33.6	Very low	159 Å²	159	131.8 Å²	131.8	74%	0.743	69%	0.685	S	S	*	*	S	Bend	trans	-114.3	8.2	-178.5	-86	-169.9	-29.2	0	0	115.8
484	Q	32.5	Very low	34.3	Very low	193 Å²	193	128.4 Å²	128.4	90%	0.902	67%	0.667	S	S	*	*	S	Bend	trans	-102.1	-1.2	179.6	-94.7	-172.3	-18	0	0	116.2
485	E	29	Very low	35.6	Very low	186 Å²	186	120.2 Å²	120.2	87%	0.869	63%	0.632	S	S	*	*	S	Bend	trans	-131.7	141.9	174.7	-64.3	-165.3	-169.6	0	0	112.6
486	V	27.5	Very low	36.5	Very low	135 Å²	135	124 Å²	124	82%	0.818	65%	0.645	S	S	*	*			trans	-135.8	132.3	-175.4	176.8	0	0	0	0	107.7
487	P	41	Very low	37.5	Very low	111 Å²	111	119.9 Å²	119.9	72%	0.721	64%	0.636	S	S	*	*			cis	-135.5	102.1	-28.1	34	-13.7	0	0	0	110.7
488	V	28.3	Very low	38.4	Very low	129 Å²	129	122.5 Å²	122.5	78%	0.782	64%	0.636	S	S	*	*			trans	-100.6	124.9	168.2	-175	0	0	0	0	108.4	E490	V488-E490 HydrophobicContact CG1-CG 4.29Å; V488-E490 PolarHBondContact O-N 2.93Å
489	R	38.7	Very low	39.5	Very low	252 Å²	252	128.4 Å²	128.4	95%	0.951	66%	0.658	S	S	*	*			trans	-72.2	89.7	176.8	-71.9	179	173.4	-177.3	-3.4	109.6
490	E	34.4	Very low	40	Very low	165 Å²	165	128.4 Å²	128.4	77%	0.771	66%	0.655	S	S	*	*			trans	-105.4	111.2	163	-67	-168.3	158.5	0	0	108.7	V488	V488-E490 HydrophobicContact CG1-CG 4.29Å; V488-E490 PolarHBondContact O-N 2.93Å
491	S	39.4	Very low	40.4	Very low	52 Å²	52	127.1 Å²	127.1	36%	0.364	65%	0.648	S	S	.	*			trans	-73.3	141.7	167.1	52.6	0	0	0	0	109.4	D494 N501	S491-D494 WeakPolarHBondContact CB-OD1 3.41Å; S491-D494 PolarHBondContact OG-OD1 3.09Å; S491-N501 PolarHBondContact OG-ND2 3.34Å; S491-N501 VanDerWaalsContact OG-ND2 3.07Å
492	V	50.7	Low	41.1	Very low	92 Å²	92	122.9 Å²	122.9	56%	0.558	62%	0.619	S	S	*	*	S	Bend	trans	-109.2	-17.1	-172.7	-169.6	0	0	0	0	111.7
493	F	45.8	Very low	41.3	Very low	54 Å²	54	120.7 Å²	120.7	24%	0.237	62%	0.616	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-147.4	99.7	-176	-60.3	-67.5	0	0	0	110.1	F502 R505 L508	F493-F502 HydrophobicContact CB-CB 4.42Å; F493-F502 PolarHBondContact N-O 2.9Å; F493-F502 PolarHBondContact O-N 3.03Å; F493-R505 HydrophobicContact CD1-CB 4.05Å; F493-R505 HydrophobicContact CD1-CG 4.04Å; F493-R505 HydrophobicContact CD2-CB 4.05Å; F493-R505 HydrophobicContact CE1-CB 3.93Å; F493-R505 HydrophobicContact CE1-CG 4.03Å; F493-R505 HydrophobicContact CE2-CB 3.91Å; F493-R505 HydrophobicContact CG-CB 4.12Å; F493-R505 HydrophobicContact CG-CG 4.49Å; F493-R505 HydrophobicContact CZ-CB 3.86Å; F493-R505 HydrophobicContact CZ-CG 4.44Å; F493-L508 HydrophobicContact CB-CB 4.13Å; F493-L508 HydrophobicContact CB-CD2 3.76Å
494	D	45	Very low	41.7	Very low	79 Å²	79	117.3 Å²	117.3	42%	0.422	60%	0.6	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-102.9	147.7	-178	-47.3	-33.8	0	0	0	109.8	S491 N501	S491-D494 WeakPolarHBondContact CB-OD1 3.41Å; S491-D494 PolarHBondContact OG-OD1 3.09Å; D494-N501 VanDerWaalsContact OD1-CG 3.27Å; D494-N501 PolarHBondContact OD1-OD1 3.38Å
495	C	49.8	Very low	42.1	Very low	6 Å²	6	115.9 Å²	115.9	4%	0.041	59%	0.586	C	S	.	*			trans	-95.1	115.8	175.9	-168.5	0	0	0	0	111.8	A497 W498 E499 E500 F502 L508 H515	C495-A497 PolarHBondContact O-N 3.47Å; C495-W498 PolarHBondContact O-N 3.31Å; C495-E499 PolarHBondContact O-N 3.21Å; C495-E500 PolarHBondContact N-O 3.31Å; C495-F502 HydrophobicContact CB-CE2 4.49Å; C495-L508 HydrophobicContact CB-CD1 3.62Å; C495-H515 VanDerWaalsContact SG-CD2 3.58Å; C495-H515 PolarHBondContact SG-NE2 3.23Å
496	D	48.6	Very low	42.7	Very low	174 Å²	174	110.1 Å²	110.1	93%	0.93	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.4	-17.8	-178.2	-69.3	-30	0	0	0	115.1
497	A	51.2	Low	43.9	Very low	61 Å²	61	108 Å²	108	50%	0.504	55%	0.552	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84.6	-47.3	-179.2	0	0	0	0	0	113.6	C495	C495-A497 PolarHBondContact O-N 3.47Å
498	W	47.7	Very low	44.3	Very low	185 Å²	185	103.3 Å²	103.3	70%	0.701	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.4	8	-160.1	-89.5	28.9	0	0	0	114.9	C495 E500 H515	C495-W498 PolarHBondContact O-N 3.31Å; W498-E500 PolarHBondContact O-N 3.02Å; W498-H515 VanDerWaalsContact CB-CE1 3.5Å; W498-H515 WeakPolarHBondContact CB-CE1 3.4Å; W498-H515 AromaticContact CD1-CE1 3.32Å; W498-H515 AromaticContact CD2-CE1 3.1Å; W498-H515 AromaticContact CE2-CE1 3.56Å; W498-H515 AromaticContact CE3-CE1 3.68Å; W498-H515 AromaticContact CG-CE1 2.98Å; W498-H515 AromaticContact NE1-CE1 3.64Å
499	E	48.7	Very low	45.6	Very low	184 Å²	184	99.6 Å²	99.6	86%	0.86	50%	0.498	S	S	*	.			trans	54.9	30.8	-178.8	-61.7	-172	164.6	0	0	114	C495	C495-E499 PolarHBondContact O-N 3.21Å
500	E	45.3	Very low	46.5	Very low	88 Å²	88	91 Å²	91	41%	0.411	47%	0.469	S	S	.	.			trans	-91.7	135.4	170	-74.1	-167.2	-179	0	0	111.5	C495 W498 F502 H511	C495-E500 PolarHBondContact N-O 3.31Å; W498-E500 PolarHBondContact O-N 3.02Å; E500-F502 HydrophobicContact CB-CE2 3.81Å; E500-F502 HydrophobicContact CB-CZ 4Å; E500-F502 WeakPolarHBondContact O-CE2 3.23Å; E500-H511 IonicContact OE2-CE1 3.09Å; E500-H511 PolarHBondContact OE2-CE1 2.95Å; E500-H511 IonicContact OE2-ND1 3.42Å; E500-H511 PolarHBondContact OE2-ND1 3.45Å
501	N	42.3	Very low	47.7	Very low	93 Å²	93	84 Å²	84	50%	0.497	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	126.2	-167.6	-68.1	5.6	0	0	0	111.7	S491 D494	S491-N501 PolarHBondContact OG-ND2 3.34Å; S491-N501 VanDerWaalsContact OG-ND2 3.07Å; D494-N501 VanDerWaalsContact OD1-CG 3.27Å; D494-N501 PolarHBondContact OD1-OD1 3.38Å
502	F	46.1	Very low	48.3	Very low	39 Å²	39	85 Å²	85	17%	0.171	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	137	-173.8	-61.2	-87.4	0	0	0	112.4	F493 C495 E500 Q504 H507 L508 H511	F493-F502 HydrophobicContact CB-CB 4.42Å; F493-F502 PolarHBondContact N-O 2.9Å; F493-F502 PolarHBondContact O-N 3.03Å; C495-F502 HydrophobicContact CB-CE2 4.49Å; E500-F502 HydrophobicContact CB-CE2 3.81Å; E500-F502 HydrophobicContact CB-CZ 4Å; E500-F502 WeakPolarHBondContact O-CE2 3.23Å; F502-Q504 VanDerWaalsContact C-N 3.33Å; F502-H507 HydrophobicContact CD1-CB 3.94Å; F502-L508 HydrophobicContact CB-CB 4.17Å; F502-L508 HydrophobicContact CD2-CB 4.06Å; F502-L508 HydrophobicContact CD2-CD1 3.78Å; F502-L508 HydrophobicContact CE2-CD1 4.12Å; F502-L508 HydrophobicContact CG-CB 4.2Å; F502-H511 HydrophobicContact CE1-CB 4.06Å; F502-H511 HydrophobicContact CE2-CB 4.01Å; F502-H511 AromaticContact CE2-CD2 3.93Å; F502-H511 AromaticContact CE2-CG 3.77Å; F502-H511 HydrophobicContact CZ-CB 3.57Å; F502-H511 AromaticContact CZ-CG 3.42Å; F502-H511 VanDerWaalsContact CZ-CG 3.42Å; F502-H511 AromaticContact CZ-ND1 3.44Å; F502-H511 WeakPolarHBondContact CZ-ND1 3.43Å
503	S	39.3	Very low	48.8	Very low	97 Å²	97	83.9 Å²	83.9	68%	0.678	42%	0.421	S	S	*	.	S	Bend	trans	-75.8	-19.5	175.1	55.9	0	0	0	0	113.5
504	Q	44.5	Very low	49.4	Very low	88 Å²	88	86.7 Å²	86.7	41%	0.411	44%	0.437	S	S	.	.	S	Bend	trans	-135.1	130.9	-178.1	-64.1	-173.6	6.4	0	0	111.3	F502 A506 H507 L508	F502-Q504 VanDerWaalsContact C-N 3.33Å; Q504-A506 PolarHBondContact O-N 3.38Å; Q504-A506 VanDerWaalsContact O-N 3.15Å; Q504-H507 PolarHBondContact O-N 3.29Å; Q504-L508 PolarHBondContact O-N 3.41Å
505	R	40.3	Very low	50	Low	163 Å²	163	86.3 Å²	86.3	62%	0.615	43%	0.433	S	S	*	.	H	α-helix	trans	-58.8	-28.7	-179.7	-167	175.5	-175.2	125.8	9.4	113.8	F493 H507 L508 V509	F493-R505 HydrophobicContact CD1-CB 4.05Å; F493-R505 HydrophobicContact CD1-CG 4.04Å; F493-R505 HydrophobicContact CD2-CB 4.05Å; F493-R505 HydrophobicContact CE1-CB 3.93Å; F493-R505 HydrophobicContact CE1-CG 4.03Å; F493-R505 HydrophobicContact CE2-CB 3.91Å; F493-R505 HydrophobicContact CG-CB 4.12Å; F493-R505 HydrophobicContact CG-CG 4.49Å; F493-R505 HydrophobicContact CZ-CB 3.86Å; F493-R505 HydrophobicContact CZ-CG 4.44Å; R505-H507 VanDerWaalsContact C-N 3.3Å; R505-H507 PolarHBondContact O-N 3.04Å; R505-L508 PolarHBondContact O-N 3.05Å; R505-V509 HydrophobicContact CG-CG2 4.38Å; R505-V509 WeakPolarHBondContact O-CB 3.4Å; R505-V509 WeakPolarHBondContact O-CG2 3.33Å; R505-V509 PolarHBondContact O-N 2.73Å
506	A	42.3	Very low	50	Low	66 Å²	66	89.8 Å²	89.8	55%	0.545	45%	0.454	S	S	.	.	H	α-helix	trans	-63.4	-37	175.4	0	0	0	0	0	112.1	Q504 Q510	Q504-A506 PolarHBondContact O-N 3.38Å; Q504-A506 VanDerWaalsContact O-N 3.15Å; A506-Q510 WeakPolarHBondContact O-CB 3.45Å; A506-Q510 PolarHBondContact O-N 3.05Å; A506-Q510 VanDerWaalsContact O-N 3.11Å
507	H	52.3	Low	50.2	Low	89 Å²	89	90.2 Å²	90.2	41%	0.412	45%	0.447	S	S	.	.	H	α-helix	trans	-75.7	-37.9	177.2	-60.3	155.7	0	0	0	112	F502 Q504 R505 Q510 H511	F502-H507 HydrophobicContact CD1-CB 3.94Å; Q504-H507 PolarHBondContact O-N 3.29Å; R505-H507 VanDerWaalsContact C-N 3.3Å; R505-H507 PolarHBondContact O-N 3.04Å; H507-Q510 PolarHBondContact O-N 3.38Å; H507-Q510 VanDerWaalsContact O-N 3.16Å; H507-H511 WeakPolarHBondContact O-CB 3.43Å; H507-H511 PolarHBondContact O-N 3.49Å
508	L	50.4	Low	50	Low	13 Å²	13	93 Å²	93	7%	0.068	45%	0.45	C	S	.	.	H	α-helix	trans	-57.4	-50.9	169.6	175.5	64.2	0	0	0	110.8	F493 C495 F502 Q504 R505 Q510 H511 E512	F493-L508 HydrophobicContact CB-CB 4.13Å; F493-L508 HydrophobicContact CB-CD2 3.76Å; C495-L508 HydrophobicContact CB-CD1 3.62Å; F502-L508 HydrophobicContact CB-CB 4.17Å; F502-L508 HydrophobicContact CD2-CB 4.06Å; F502-L508 HydrophobicContact CD2-CD1 3.78Å; F502-L508 HydrophobicContact CE2-CD1 4.12Å; F502-L508 HydrophobicContact CG-CB 4.2Å; Q504-L508 PolarHBondContact O-N 3.41Å; R505-L508 PolarHBondContact O-N 3.05Å; L508-Q510 PolarHBondContact O-N 3.22Å; L508-Q510 VanDerWaalsContact O-N 3.14Å; L508-H511 PolarHBondContact O-N 3.21Å; L508-E512 HydrophobicContact CD1-CG 3.94Å; L508-E512 HydrophobicContact CG-CG 4.17Å; L508-E512 WeakPolarHBondContact O-CG 3.42Å; L508-E512 PolarHBondContact O-N 3.4Å
509	V	54.8	Low	50.3	Low	52 Å²	52	89.7 Å²	89.7	32%	0.315	44%	0.44	S	S	.	.	H	α-helix	trans	-63.9	-20.6	179.2	170.5	0	0	0	0	112.8	R505 R513	R505-V509 HydrophobicContact CG-CG2 4.38Å; R505-V509 WeakPolarHBondContact O-CB 3.4Å; R505-V509 WeakPolarHBondContact O-CG2 3.33Å; R505-V509 PolarHBondContact O-N 2.73Å; V509-R513 WeakPolarHBondContact O-CD 3.38Å; V509-R513 WeakPolarHBondContact O-CG 3.43Å; V509-R513 PolarHBondContact O-NE 3.05Å
510	Q	56.5	Low	50	Low	70 Å²	70	84.5 Å²	84.5	33%	0.327	42%	0.423	S	S	.	.	H	α-helix	trans	-84	-38	172.1	-174.7	174.7	-25.7	0	0	112.2	A506 H507 L508	A506-Q510 WeakPolarHBondContact O-CB 3.45Å; A506-Q510 PolarHBondContact O-N 3.05Å; A506-Q510 VanDerWaalsContact O-N 3.11Å; H507-Q510 PolarHBondContact O-N 3.38Å; H507-Q510 VanDerWaalsContact O-N 3.16Å; L508-Q510 PolarHBondContact O-N 3.22Å; L508-Q510 VanDerWaalsContact O-N 3.14Å
511	H	61.3	Low	50	Low	19 Å²	19	84.9 Å²	84.9	9%	0.088	42%	0.421	C	S	.	.	H	α-helix	trans	-66.7	-42.1	173.3	171.6	98.9	0	0	0	111.6	E500 F502 H507 L508 R513 I514 H515	E500-H511 IonicContact OE2-CE1 3.09Å; E500-H511 PolarHBondContact OE2-CE1 2.95Å; E500-H511 IonicContact OE2-ND1 3.42Å; E500-H511 PolarHBondContact OE2-ND1 3.45Å; F502-H511 HydrophobicContact CE1-CB 4.06Å; F502-H511 HydrophobicContact CE2-CB 4.01Å; F502-H511 AromaticContact CE2-CD2 3.93Å; F502-H511 AromaticContact CE2-CG 3.77Å; F502-H511 HydrophobicContact CZ-CB 3.57Å; F502-H511 AromaticContact CZ-CG 3.42Å; F502-H511 VanDerWaalsContact CZ-CG 3.42Å; F502-H511 AromaticContact CZ-ND1 3.44Å; F502-H511 WeakPolarHBondContact CZ-ND1 3.43Å; H507-H511 WeakPolarHBondContact O-CB 3.43Å; H507-H511 PolarHBondContact O-N 3.49Å; L508-H511 PolarHBondContact O-N 3.21Å; H511-R513 PolarHBondContact O-N 3.42Å; H511-R513 VanDerWaalsContact O-N 3.13Å; H511-I514 WeakPolarHBondContact O-CB 3.49Å; H511-I514 VanDerWaalsContact O-CG1 3.31Å; H511-I514 WeakPolarHBondContact O-CG1 3.32Å; H511-I514 PolarHBondContact O-N 3.12Å; H511-H515 AromaticContact CD2-NE2 2.79Å; H511-H515 PolarHBondContact CD2-NE2 3.3Å; H511-H515 AromaticContact CE1-NE2 3.3Å; H511-H515 PolarHBondContact CE1-NE2 3.37Å; H511-H515 VanDerWaalsContact CE1-NE2 3.3Å; H511-H515 AromaticContact CG-NE2 3.97Å; H511-H515 AromaticContact NE2-CE1 3.84Å; H511-H515 AromaticContact NE2-NE2 2.18Å; H511-H515 PolarHBondContact NE2-NE2 3.48Å
512	E	52.3	Low	50	Low	74 Å²	74	86.8 Å²	86.8	35%	0.346	43%	0.427	S	S	.	.	H	α-helix	trans	-57.5	-29.8	177.9	-74.3	171.9	160	0	0	113.2	L508 I514 H515 T516	L508-E512 HydrophobicContact CD1-CG 3.94Å; L508-E512 HydrophobicContact CG-CG 4.17Å; L508-E512 WeakPolarHBondContact O-CG 3.42Å; L508-E512 PolarHBondContact O-N 3.4Å; E512-I514 PolarHBondContact O-N 3.37Å; E512-H515 WeakPolarHBondContact O-CB 3.5Å; E512-H515 PolarHBondContact O-N 3.46Å; E512-H515 VanDerWaalsContact O-N 3.13Å; E512-T516 PolarHBondContact O-N 2.95Å
513	R	59.8	Low	49.8	Very low	67 Å²	67	87 Å²	87	25%	0.253	43%	0.433	S	S	.	.	H	α-helix	trans	-67.6	-18.8	175	-65.6	167.4	-170.3	-162	-3.9	113.4	V509 H511 T516 K517 E518 Y521	V509-R513 WeakPolarHBondContact O-CD 3.38Å; V509-R513 WeakPolarHBondContact O-CG 3.43Å; V509-R513 PolarHBondContact O-NE 3.05Å; H511-R513 PolarHBondContact O-N 3.42Å; H511-R513 VanDerWaalsContact O-N 3.13Å; R513-T516 WeakPolarHBondContact CA-OG1 3.32Å; R513-T516 PolarHBondContact O-OG1 3Å; R513-K517 WeakPolarHBondContact O-CA 3.37Å; R513-K517 PolarHBondContact O-N 3.46Å; R513-E518 PolarHBondContact O-N 3.38Å; R513-Y521 PolarHBondContact NH1-OH 2.85Å
514	I	58.1	Low	50.2	Low	113 Å²	113	90 Å²	90	58%	0.579	44%	0.441	S	S	*	.	H	α-helix	trans	-70.4	-37.7	173.3	-53.8	174	0	0	0	109.6	H511 E512	H511-I514 WeakPolarHBondContact O-CB 3.49Å; H511-I514 VanDerWaalsContact O-CG1 3.31Å; H511-I514 WeakPolarHBondContact O-CG1 3.32Å; H511-I514 PolarHBondContact O-N 3.12Å; E512-I514 PolarHBondContact O-N 3.37Å
515	H	58.3	Low	50.4	Low	71 Å²	71	94.6 Å²	94.6	33%	0.329	46%	0.463	S	S	.	.	H	α-helix	trans	-69.1	-39.9	175.5	-59.2	-51.6	0	0	0	112.2	C495 W498 H511 E512	C495-H515 VanDerWaalsContact SG-CD2 3.58Å; C495-H515 PolarHBondContact SG-NE2 3.23Å; W498-H515 VanDerWaalsContact CB-CE1 3.5Å; W498-H515 WeakPolarHBondContact CB-CE1 3.4Å; W498-H515 AromaticContact CD1-CE1 3.32Å; W498-H515 AromaticContact CD2-CE1 3.1Å; W498-H515 AromaticContact CE2-CE1 3.56Å; W498-H515 AromaticContact CE3-CE1 3.68Å; W498-H515 AromaticContact CG-CE1 2.98Å; W498-H515 AromaticContact NE1-CE1 3.64Å; H511-H515 AromaticContact CD2-NE2 2.79Å; H511-H515 PolarHBondContact CD2-NE2 3.3Å; H511-H515 AromaticContact CE1-NE2 3.3Å; H511-H515 PolarHBondContact CE1-NE2 3.37Å; H511-H515 VanDerWaalsContact CE1-NE2 3.3Å; H511-H515 AromaticContact CG-NE2 3.97Å; H511-H515 AromaticContact NE2-CE1 3.84Å; H511-H515 AromaticContact NE2-NE2 2.18Å; H511-H515 PolarHBondContact NE2-NE2 3.48Å; E512-H515 WeakPolarHBondContact O-CB 3.5Å; E512-H515 PolarHBondContact O-N 3.46Å; E512-H515 VanDerWaalsContact O-N 3.13Å
516	T	50.3	Low	51	Low	80 Å²	80	93.4 Å²	93.4	49%	0.491	47%	0.468	S	S	.	.	H	α-helix	trans	-82.2	-13.5	179.6	64.9	0	0	0	0	114.2	E512 R513 E518	E512-T516 PolarHBondContact O-N 2.95Å; R513-T516 WeakPolarHBondContact CA-OG1 3.32Å; R513-T516 PolarHBondContact O-OG1 3Å; T516-E518 PolarHBondContact O-N 2.91Å; T516-E518 WeakPolarHBondContact OG1-CG 3.27Å
517	K	51.8	Low	51.2	Low	182 Å²	182	92.8 Å²	92.8	79%	0.791	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.5	20.8	-172.2	-61	-176.1	178.8	178.3	0	114.5	R513	R513-K517 WeakPolarHBondContact O-CA 3.37Å; R513-K517 PolarHBondContact O-N 3.46Å
518	E	47.5	Very low	50.8	Low	119 Å²	119	94 Å²	94	56%	0.556	47%	0.474	S	S	*	.			trans	-72	131.9	178.1	-70.8	177.6	161	0	0	110.9	R513 T516 P520	R513-E518 PolarHBondContact O-N 3.38Å; T516-E518 PolarHBondContact O-N 2.91Å; T516-E518 WeakPolarHBondContact OG1-CG 3.27Å; E518-P520 WeakPolarHBondContact O-CD 3.39Å
519	K	53.3	Low	50.4	Low	116 Å²	116	96 Å²	96	50%	0.504	49%	0.487	S	S	.	.			trans	-121.6	81	-179.9	-71.8	173.9	149.6	-145.5	0	109.7	Y521 T529 F530	K519-Y521 VanDerWaalsContact C-N 3.26Å; K519-Y521 PolarHBondContact O-N 3.28Å; K519-T529 WeakPolarHBondContact CD-O 3.4Å; K519-T529 VanDerWaalsContact CE-O 3.31Å; K519-T529 WeakPolarHBondContact CE-O 3.42Å; K519-T529 PolarHBondContact NZ-O 3.19Å; K519-F530 CarbonylContact C-O 3.6Å; K519-F530 WeakPolarHBondContact CA-O 3.5Å
520	P	43	Very low	50.2	Low	76 Å²	76	97.6 Å²	97.6	49%	0.494	49%	0.49	S	S	.	.			trans	-79.5	-2.9	-166.4	-13.9	31.5	0	0	0	114.8	E518	E518-P520 WeakPolarHBondContact O-CD 3.39Å
521	Y	46.3	Very low	49.4	Very low	96 Å²	96	97 Å²	97	38%	0.376	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	117.4	-174.8	-52.8	-74.9	0	0	0	109.6	R513 K519 T529 F530 V533	R513-Y521 PolarHBondContact NH1-OH 2.85Å; K519-Y521 VanDerWaalsContact C-N 3.26Å; K519-Y521 PolarHBondContact O-N 3.28Å; Y521-T529 CarbonylContact O-C 3.16Å; Y521-T529 WeakPolarHBondContact O-CA 3.34Å; Y521-F530 PolarHBondContact N-O 3.26Å; Y521-F530 PolarHBondContact O-N 3.01Å; Y521-V533 HydrophobicContact CD1-CG2 3.65Å; Y521-V533 HydrophobicContact CD2-CG2 4.12Å; Y521-V533 HydrophobicContact CE1-CG2 4.02Å; Y521-V533 HydrophobicContact CE2-CG2 4.45Å; Y521-V533 HydrophobicContact CG-CG2 3.72Å
522	E	41.6	Very low	48.6	Very low	132 Å²	132	100.8 Å²	100.8	62%	0.617	51%	0.511	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.1	131.9	179.8	-170.7	173.1	176.9	0	0	109.6	N524 T529	E522-N524 PolarHBondContact O-N 3.42Å; E522-T529 HydrophobicContact CB-CG2 4.15Å; E522-T529 HydrophobicContact CG-CG2 4.02Å
523	C	42.8	Very low	48	Very low	44 Å²	44	102.2 Å²	102.2	30%	0.297	53%	0.525	S	S	.	.			trans	-86.3	108.1	176	-179.4	0	0	0	0	110.2	E525 L526 G527 E528 F530	C523-E525 PolarHBondContact O-N 3.32Å; C523-L526 PolarHBondContact O-N 3.45Å; C523-L526 VanDerWaalsContact O-N 3.13Å; C523-G527 PolarHBondContact O-N 2.86Å; C523-E528 PolarHBondContact N-O 3.1Å; C523-F530 HydrophobicContact CB-CE2 3.93Å
524	N	46.3	Very low	46.8	Very low	159 Å²	159	106.6 Å²	106.6	85%	0.85	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-13.8	-177.2	-72.3	-2.7	0	0	0	115.4	E522	E522-N524 PolarHBondContact O-N 3.42Å
525	E	50	Low	45.5	Very low	186 Å²	186	105.8 Å²	105.8	87%	0.869	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.2	-20.4	178	-63.3	-163.9	160.5	0	0	114.1	C523	C523-E525 PolarHBondContact O-N 3.32Å
526	L	51.4	Low	44	Very low	137 Å²	137	107.4 Å²	107.4	72%	0.717	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.7	-9.8	-175.8	-67.1	175.6	0	0	0	114.4	C523 E528	C523-L526 PolarHBondContact O-N 3.45Å; C523-L526 VanDerWaalsContact O-N 3.13Å; L526-E528 PolarHBondContact O-N 3.3Å
527	G	47.7	Very low	43	Very low	53 Å²	53	113.4 Å²	113.4	55%	0.546	60%	0.597	S	S	.	*			trans	69.6	9	179.3	0	0	0	0	0	114.7	C523	C523-G527 PolarHBondContact O-N 2.86Å
528	E	44.3	Very low	41.8	Very low	116 Å²	116	110 Å²	110	54%	0.542	60%	0.596	S	S	.	*			trans	-86.3	142.8	177.7	-65.5	-164.2	154.4	0	0	111.8	C523 L526 F530	C523-E528 PolarHBondContact N-O 3.1Å; L526-E528 PolarHBondContact O-N 3.3Å; E528-F530 HydrophobicContact CB-CE1 4.48Å; E528-F530 HydrophobicContact CB-CE2 3.65Å; E528-F530 HydrophobicContact CB-CZ 3.55Å; E528-F530 WeakPolarHBondContact O-CD2 3.43Å; E528-F530 VanDerWaalsContact O-CE2 3.28Å; E528-F530 WeakPolarHBondContact O-CE2 3.41Å; E528-F530 WeakPolarHBondContact OE2-CZ 3.39Å
529	T	42.2	Very low	40.9	Very low	55 Å²	55	117.1 Å²	117.1	34%	0.337	63%	0.633	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-109.1	134.1	-179.5	51.2	0	0	0	0	111.6	K519 Y521 E522	K519-T529 WeakPolarHBondContact CD-O 3.4Å; K519-T529 VanDerWaalsContact CE-O 3.31Å; K519-T529 WeakPolarHBondContact CE-O 3.42Å; K519-T529 PolarHBondContact NZ-O 3.19Å; Y521-T529 CarbonylContact O-C 3.16Å; Y521-T529 WeakPolarHBondContact O-CA 3.34Å; E522-T529 HydrophobicContact CB-CG2 4.15Å; E522-T529 HydrophobicContact CG-CG2 4.02Å
530	F	50.5	Low	40.3	Very low	84 Å²	84	117.2 Å²	117.2	37%	0.368	64%	0.639	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-125.9	150.1	-171.7	-55.9	-86.7	0	0	0	111.7	K519 Y521 C523 E528	K519-F530 CarbonylContact C-O 3.6Å; K519-F530 WeakPolarHBondContact CA-O 3.5Å; Y521-F530 PolarHBondContact N-O 3.26Å; Y521-F530 PolarHBondContact O-N 3.01Å; C523-F530 HydrophobicContact CB-CE2 3.93Å; E528-F530 HydrophobicContact CB-CE1 4.48Å; E528-F530 HydrophobicContact CB-CE2 3.65Å; E528-F530 HydrophobicContact CB-CZ 3.55Å; E528-F530 WeakPolarHBondContact O-CD2 3.43Å; E528-F530 VanDerWaalsContact O-CE2 3.28Å; E528-F530 WeakPolarHBondContact O-CE2 3.41Å; E528-F530 WeakPolarHBondContact OE2-CZ 3.39Å
531	S	39.6	Very low	40.2	Very low	59 Å²	59	119.4 Å²	119.4	41%	0.413	65%	0.647	S	S	.	*	S	Bend	trans	-85.5	-16.4	173.2	48.4	0	0	0	0	113.2
532	Q	44.6	Very low	39.8	Very low	97 Å²	97	120.7 Å²	120.7	45%	0.453	66%	0.662	S	S	.	*	S	Bend	trans	-141.3	145.9	-179.3	-177.4	175.1	9.1	0	0	110.4
533	V	38.2	Very low	39.7	Very low	105 Å²	105	120 Å²	120	64%	0.636	67%	0.665	S	S	*	*			trans	-88.6	103.6	168.6	-177.5	0	0	0	0	108.4	Y521	Y521-V533 HydrophobicContact CD1-CG2 3.65Å; Y521-V533 HydrophobicContact CD2-CG2 4.12Å; Y521-V533 HydrophobicContact CE1-CG2 4.02Å; Y521-V533 HydrophobicContact CE2-CG2 4.45Å; Y521-V533 HydrophobicContact CG-CG2 3.72Å
534	Q	34.3	Very low	39.5	Very low	158 Å²	158	124.8 Å²	124.8	74%	0.738	69%	0.687	S	S	*	*			trans	-83	120.3	168.5	-78.3	-169.8	-43.3	0	0	109.9	S536	Q534-S536 VanDerWaalsContact C-N 3.29Å; Q534-S536 PolarHBondContact O-N 3.2Å; Q534-S536 VanDerWaalsContact O-N 3.09Å
535	A	31.2	Very low	39.1	Very low	96 Å²	96	122.5 Å²	122.5	79%	0.793	68%	0.677	S	S	*	*			trans	-79.9	80.6	166	0	0	0	0	0	109.2	F537	A535-F537 PolarHBondContact O-N 3.35Å
536	S	26.5	Very low	38.3	Very low	105 Å²	105	117.9 Å²	117.9	73%	0.734	66%	0.663	S	S	*	*			trans	-70.4	90.2	172.5	54.9	0	0	0	0	110.5	Q534 S538	Q534-S536 VanDerWaalsContact C-N 3.29Å; Q534-S536 PolarHBondContact O-N 3.2Å; Q534-S536 VanDerWaalsContact O-N 3.09Å; S536-S538 PolarHBondContact O-N 2.95Å; S536-S538 VanDerWaalsContact O-N 3.16Å
537	F	29.6	Very low	37.3	Very low	207 Å²	207	116.5 Å²	116.5	91%	0.908	66%	0.659	S	S	*	*			trans	-68.9	101.9	159.7	-114.3	-85.3	0	0	0	108.1	A535	A535-F537 PolarHBondContact O-N 3.35Å
538	S	27.1	Very low	36.4	Very low	109 Å²	109	121.8 Å²	121.8	76%	0.762	67%	0.668	S	S	*	*			trans	-162.5	88.4	169.4	-76.9	0	0	0	0	111	S536	S536-S538 PolarHBondContact O-N 2.95Å; S536-S538 VanDerWaalsContact O-N 3.16Å
539	M	29.1	Very low	35.7	Very low	270 Å²	270	122.3 Å²	122.3	100%	1.33	68%	0.679	S	S	*	*				-170.4	0	126.9	-99	179.8	-172	0	0	109.6

Retrieved 539 of 539 residues in 75.5 ms (Link to these results)

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