A0A2K6E474_MACNE Loading...

Zinc finger protein 639

Binds DNA and may function as a transcriptional repressor.

AlphaFold DB , UniProt , Accession A0A2K6E474, Species MACNE (Macaca nemestrina, Pig-tailed macaque), Gene ZNF639, Length 485 aa.

Structure Viewer

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	29.2	Very low	29.3	Very low	240 Å²	240	200.3 Å²	200.3	100%	1.182	89%	0.893	S	S	*	*				0	134.5	0	-82.9	171.9	160.9	0	0	107.4
2	N	27.7	Very low	29.4	Very low	143 Å²	143	195.3 Å²	195.3	77%	0.765	89%	0.891	S	S	*	*			trans	-79.6	135.6	-175.2	-58.1	-13.8	0	0	0	110.6
3	E	28.3	Very low	29.2	Very low	197 Å²	197	191.7 Å²	191.7	92%	0.921	88%	0.882	S	S	*	*			trans	-134.4	115.1	151.3	-71.5	-153.1	142.1	0	0	110.6
4	Y	28.9	Very low	29	Very low	196 Å²	196	191.4 Å²	191.4	77%	0.769	88%	0.881	S	S	*	*	P	Polyproline II helix	trans	-81.8	137.5	174.1	-80.3	-101.1	0	0	0	110.9
5	P	34.4	Very low	29.1	Very low	127 Å²	127	187.2 Å²	187.2	83%	0.825	88%	0.878	S	S	*	*	P	Polyproline II helix	trans	-68.8	133	156	-15.6	31.2	0	0	0	110.3
6	K	29.6	Very low	28.8	Very low	195 Å²	195	182.9 Å²	182.9	85%	0.848	87%	0.874	S	S	*	*	P	Polyproline II helix	trans	-87.6	134.9	-169.5	-68.8	159.7	-177.9	163	0	112	R8	K6-R8 PolarHBondContact O-N 3.46Å
7	K	31.3	Very low	29	Very low	213 Å²	213	185.7 Å²	185.7	93%	0.926	87%	0.874	S	S	*	*	P	Polyproline II helix	trans	-50	119.9	167.8	-62.8	-176.1	177.8	-172.5	0	110.6
8	R	30.6	Very low	28.9	Very low	248 Å²	248	187.5 Å²	187.5	94%	0.936	87%	0.873	S	S	*	*	P	Polyproline II helix	trans	-90.2	132.6	166.1	-89.8	-176.7	166.8	173.1	-3.1	109.7	K6	K6-R8 PolarHBondContact O-N 3.46Å
9	K	27.3	Very low	28.9	Very low	200 Å²	200	182.3 Å²	182.3	87%	0.87	86%	0.86	S	S	*	*	P	Polyproline II helix	trans	-77.6	137.8	-175.3	-62	179.6	177.3	-176.3	0	110.4	K11	K9-K11 PolarHBondContact O-N 3.26Å
10	R	27.9	Very low	28.7	Very low	255 Å²	255	180.5 Å²	180.5	96%	0.962	86%	0.856	S	S	*	*	P	Polyproline II helix	trans	-50.9	131.3	163.4	-75.3	177.5	168.6	162.8	-4.8	109
11	K	27.5	Very low	28.7	Very low	189 Å²	189	177.1 Å²	177.1	82%	0.822	85%	0.852	S	S	*	*			trans	-112	114.4	161.5	-83.7	-171.1	174.4	-174.6	0	107.2	K9	K9-K11 PolarHBondContact O-N 3.26Å
12	T	29.9	Very low	28.6	Very low	141 Å²	141	171.4 Å²	171.4	87%	0.865	84%	0.835	S	S	*	*			trans	-65.6	127.4	164.3	38.6	0	0	0	0	109
13	L	27.3	Very low	28.6	Very low	148 Å²	148	168 Å²	168	78%	0.775	83%	0.834	S	S	*	*			trans	-137.2	105.4	170.8	-89.9	166.2	0	0	0	107.9	P15	L13-P15 WeakPolarHBondContact O-CD 3.5Å
14	H	26.7	Very low	28.5	Very low	188 Å²	188	165.9 Å²	165.9	87%	0.87	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-60.9	135.4	163.1	-85.8	-88.6	0	0	0	109.9
15	P	29.3	Very low	28.5	Very low	128 Å²	128	161.2 Å²	161.2	83%	0.831	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-78.5	122.4	153.9	-15.1	32.4	0	0	0	109.6	L13	L13-P15 WeakPolarHBondContact O-CD 3.5Å
16	S	24.8	Very low	28.1	Very low	118 Å²	118	166 Å²	166	83%	0.825	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-83.9	152.6	172.5	-168.3	0	0	0	0	110.9
17	R	32	Very low	28	Very low	231 Å²	231	164.4 Å²	164.4	87%	0.872	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-64.2	136.9	170.4	-62.2	174.2	175.1	173.4	-2.8	110
18	Y	27.4	Very low	27.8	Very low	218 Å²	218	157.8 Å²	157.8	86%	0.855	81%	0.809	S	S	*	*				176.5	113.3	128.2	-108.2	-80.5	0	0	0	112.3
19	S	28.7	Very low	27.6	Very low	88 Å²	88	153.8 Å²	153.8	62%	0.615	81%	0.806	S	S	*	*			trans	57.9	133.4	136.6	-67	0	0	0	0	125.5
20	D	25.5	Very low	27.5	Very low	147 Å²	147	147.7 Å²	147.7	79%	0.786	80%	0.801	S	S	*	*			trans	77.2	107.1	140.7	-54.5	-14.1	0	0	0	121.3
21	S	29	Very low	27.4	Very low	110 Å²	110	144.3 Å²	144.3	77%	0.769	79%	0.793	S	S	*	*				163.7	125.1	84.1	48.2	0	0	0	0	116.5
22	S	27.5	Very low	27.4	Very low	119 Å²	119	142.5 Å²	142.5	83%	0.832	79%	0.792	S	S	*	*			trans	40.8	129.3	141.8	61.7	0	0	0	0	124.7
23	G	26.2	Very low	27	Very low	72 Å²	72	139 Å²	139	74%	0.742	79%	0.785	S	S	*	*			trans	157.5	76.3	153.5	0	0	0	0	0	115.2
24	I	26.5	Very low	27	Very low	153 Å²	153	140.2 Å²	140.2	79%	0.785	79%	0.79	S	S	*	*				61.7	92.9	93.3	-56.4	-178	0	0	0	116.8
25	S	28.6	Very low	26.8	Very low	98 Å²	98	141 Å²	141	69%	0.685	79%	0.792	S	S	*	*			trans	55.3	130.5	130.5	-48	0	0	0	0	124
26	R	27.2	Very low	26.8	Very low	228 Å²	228	139.1 Å²	139.1	86%	0.86	78%	0.781	S	S	*	*				164.3	120.7	115.1	-87.2	164.9	-167.8	-158.5	4.4	110.5
27	I	27.8	Very low	26.9	Very low	160 Å²	160	139.2 Å²	139.2	82%	0.821	77%	0.773	S	S	*	*				86.4	131.5	75.6	-74.9	175.6	0	0	0	115
28	A	25.5	Very low	26.6	Very low	75 Å²	75	136.4 Å²	136.4	62%	0.62	77%	0.769	S	S	*	*			trans	98	104	153.7	0	0	0	0	0	122.3
29	D	27.6	Very low	26.5	Very low	163 Å²	163	131.1 Å²	131.1	87%	0.872	76%	0.763	S	S	*	*				68.3	135.2	114.5	-50.7	-26.6	0	0	0	124.4
30	G	24.5	Very low	26.3	Very low	73 Å²	73	138 Å²	138	75%	0.753	78%	0.777	S	S	*	*			trans	144.1	60.9	162	0	0	0	0	0	116.2
31	F	26.3	Very low	26.4	Very low	184 Å²	184	136 Å²	136	81%	0.807	78%	0.775	S	S	*	*				63.4	123.7	97.2	-101.5	-70.3	0	0	0	119.3
32	N	26.4	Very low	26.4	Very low	150 Å²	150	137.2 Å²	137.2	80%	0.802	78%	0.777	S	S	*	*			trans	62	135.2	160.6	-61.6	-29.6	0	0	0	119.3
33	G	23.2	Very low	26.2	Very low	69 Å²	69	137.1 Å²	137.1	71%	0.711	78%	0.775	S	S	*	*			cis	128.6	104.3	-0.5	0	0	0	0	0	112.9
34	I	26	Very low	26.2	Very low	172 Å²	172	139.1 Å²	139.1	88%	0.882	78%	0.778	S	S	*	*			trans	-137.8	118.9	156.9	-58.1	-178	0	0	0	106.9
35	F	23.8	Very low	26.2	Very low	205 Å²	205	140.8 Å²	140.8	90%	0.899	79%	0.785	S	S	*	*			trans	-117.8	170.1	173.5	-120.3	-84.4	0	0	0	108.3
36	S	27.9	Very low	26.1	Very low	88 Å²	88	147.5 Å²	147.5	62%	0.615	80%	0.795	S	S	*	*			trans	75	140.6	167.6	138.3	0	0	0	0	115
37	D	26.8	Very low	26.1	Very low	121 Å²	121	146 Å²	146	65%	0.647	80%	0.798	S	S	*	*			cis	-154.8	146.6	-3.3	-94.3	-40.9	0	0	0	110.3
38	H	25.9	Very low	26.4	Very low	171 Å²	171	143.9 Å²	143.9	79%	0.792	79%	0.794	S	S	*	*				-178.2	121.7	99.4	-110.6	-60	0	0	0	114.2
39	C	25	Very low	26.4	Very low	107 Å²	107	147.6 Å²	147.6	72%	0.723	80%	0.803	S	S	*	*			trans	-69.9	144.6	162.9	-54.8	0	0	0	0	111.3
40	Y	26.1	Very low	26.4	Very low	233 Å²	233	148.2 Å²	148.2	91%	0.914	81%	0.806	S	S	*	*			trans	-121.4	122.5	146	-95.1	-82.3	0	0	0	109.4
41	S	26.7	Very low	26.6	Very low	105 Å²	105	153.2 Å²	153.2	73%	0.734	81%	0.807	S	S	*	*			trans	-126.3	-175.8	172.3	-164.8	0	0	0	0	108.3
42	V	28.4	Very low	26.6	Very low	136 Å²	136	153.3 Å²	153.3	82%	0.824	80%	0.803	S	S	*	*			trans	80.1	124.3	-176.2	-167.6	0	0	0	0	111.4
43	C	23.8	Very low	26.7	Very low	117 Å²	117	153.9 Å²	153.9	79%	0.791	80%	0.799	S	S	*	*			cis	-138.9	129.3	44.4	-154.3	0	0	0	0	116
44	S	26.9	Very low	27	Very low	114 Å²	114	156.7 Å²	156.7	80%	0.797	80%	0.798	S	S	*	*			trans	-100.9	127.2	163.2	-66.6	0	0	0	0	109.7
45	M	25.2	Very low	27.1	Very low	188 Å²	188	156.4 Å²	156.4	93%	0.926	80%	0.798	S	S	*	*			trans	-79.1	119	166	-83.1	-81.6	-147.6	0	0	110.2
46	R	26.5	Very low	27.5	Very low	238 Å²	238	155.1 Å²	155.1	90%	0.898	79%	0.792	S	S	*	*			trans	-136.5	132.2	153.7	-82.9	-167.5	179.5	-170.6	1.7	108.9
47	Q	27.4	Very low	27.6	Very low	198 Å²	198	157.1 Å²	157.1	93%	0.925	80%	0.796	S	S	*	*			trans	-91.4	139.4	153	-73.8	-173.1	-26.5	0	0	108.8
48	P	34.2	Very low	27.7	Very low	114 Å²	114	157.8 Å²	157.8	74%	0.74	80%	0.799	S	S	*	*			trans	-131.2	139.3	151	35.6	-23.3	0	0	0	111.4
49	D	26.1	Very low	27.9	Very low	153 Å²	153	156.5 Å²	156.5	82%	0.818	80%	0.798	S	S	*	*			trans	-145.2	111	159.3	-111.2	-33.8	0	0	0	110
50	L	27.3	Very low	28.1	Very low	176 Å²	176	157.1 Å²	157.1	92%	0.921	80%	0.804	S	S	*	*			trans	178.5	136.6	134.3	-94.8	158.7	0	0	0	109.3
51	K	28.8	Very low	28.3	Very low	178 Å²	178	153.2 Å²	153.2	77%	0.774	80%	0.798	S	S	*	*			trans	-111.3	173.4	-171.6	-72	-178.1	177	177.7	0	112.4
52	Y	27	Very low	28.5	Very low	187 Å²	187	155.1 Å²	155.1	73%	0.733	81%	0.806	S	S	*	*			trans	82.6	144.6	163.3	-75.6	-62.9	0	0	0	117.1
53	F	28.7	Very low	28.6	Very low	162 Å²	162	157.1 Å²	157.1	71%	0.711	81%	0.806	S	S	*	*			cis	-142.7	160.7	6.7	-124.8	-66.7	0	0	0	111.3
54	D	29	Very low	28.8	Very low	128 Å²	128	158.1 Å²	158.1	68%	0.684	81%	0.809	S	S	*	*			trans	-59.6	155.3	171	-60.9	-82.3	0	0	0	114.3
55	N	28	Very low	28.8	Very low	166 Å²	166	156.8 Å²	156.8	89%	0.888	80%	0.8	S	S	*	*				-172.8	166.1	111.5	-94.2	-51.4	0	0	0	112.7
56	K	32.2	Very low	28.9	Very low	177 Å²	177	154.3 Å²	154.3	77%	0.77	79%	0.79	S	S	*	*			trans	-99.6	179.5	-174	-57.6	172.4	167.9	-177.8	0	113.4
57	D	29.4	Very low	28.9	Very low	130 Å²	130	149.7 Å²	149.7	70%	0.695	78%	0.784	S	S	*	*			trans	111.1	133.9	139.3	-58.8	-34.1	0	0	0	118.3
58	D	29.6	Very low	29.1	Very low	135 Å²	135	147.8 Å²	147.8	72%	0.722	78%	0.779	S	S	*	*			trans	69.9	124.3	150.5	-56.7	-14.5	0	0	0	125.3
59	D	29.4	Very low	29.3	Very low	145 Å²	145	147.8 Å²	147.8	78%	0.775	78%	0.779	S	S	*	*			trans	45.4	127	131.4	-61.4	-14.1	0	0	0	122.4
60	S	30.3	Very low	29.5	Very low	119 Å²	119	149.3 Å²	149.3	83%	0.832	78%	0.778	S	S	*	*				168.2	152.1	90.9	44.8	0	0	0	0	113.8
61	D	29.2	Very low	29.3	Very low	151 Å²	151	151.1 Å²	151.1	81%	0.807	78%	0.779	S	S	*	*			trans	-70	160.6	179.1	-50.8	-80.5	0	0	0	113.8
62	T	30.6	Very low	29.2	Very low	145 Å²	145	146 Å²	146	89%	0.89	77%	0.769	S	S	*	*				-168.7	123.5	119.3	14.1	0	0	0	0	112.9
63	E	30.3	Very low	29.2	Very low	178 Å²	178	145.1 Å²	145.1	83%	0.832	78%	0.778	S	S	*	*			trans	-72.5	149.8	160.5	-53.8	178.4	136.8	0	0	110.1
64	T	28.1	Very low	29	Very low	138 Å²	138	140.5 Å²	140.5	85%	0.847	78%	0.775	S	S	*	*				-170.3	128.6	119.1	15.8	0	0	0	0	114.1
65	S	27.6	Very low	28.9	Very low	87 Å²	87	142.1 Å²	142.1	61%	0.608	78%	0.782	S	S	*	*			trans	-52.8	149.5	162.7	56.4	0	0	0	0	115.7
66	N	27.2	Very low	28.9	Very low	135 Å²	135	143.9 Å²	143.9	72%	0.722	78%	0.782	S	S	*	*				161	153.7	101.3	-96.2	-24.9	0	0	0	116.6
67	D	27.3	Very low	28.6	Very low	142 Å²	142	140.4 Å²	140.4	76%	0.759	79%	0.787	S	S	*	*			trans	70.2	108	146.7	-60.5	-28.8	0	0	0	124
68	L	30.3	Very low	28.4	Very low	157 Å²	157	146 Å²	146	82%	0.822	80%	0.798	S	S	*	*			trans	-65.2	152.7	142.6	-93.7	160.4	0	0	0	110.8
69	P	38.7	Very low	28.3	Very low	115 Å²	115	147.1 Å²	147.1	75%	0.747	80%	0.804	S	S	*	*				-155.8	146.7	86.8	37.9	-17.3	0	0	0	119.9
70	K	29.9	Very low	28.1	Very low	184 Å²	184	151.7 Å²	151.7	80%	0.8	81%	0.81	S	S	*	*			trans	19.1	134	137.1	-56.4	176.8	-179.3	176.8	0	121.7
71	F	23.8	Very low	27.9	Very low	215 Å²	215	153.4 Å²	153.4	94%	0.943	81%	0.81	S	S	*	*				-177.5	158.7	128	-89.2	-73	0	0	0	106.8
72	A	26.5	Very low	27.8	Very low	69 Å²	69	155.3 Å²	155.3	57%	0.57	81%	0.814	S	S	*	*			cis	172.8	149.9	-34.9	0	0	0	0	0	106.3
73	D	26.7	Very low	27.5	Very low	170 Å²	170	154.5 Å²	154.5	91%	0.909	81%	0.805	S	S	*	*			trans	61.6	149.1	168.4	-51.7	-34.3	0	0	0	119.4
74	G	24.4	Very low	27.3	Very low	64 Å²	64	155.9 Å²	155.9	66%	0.66	80%	0.804	S	S	*	*			cis	168.2	149.2	-9.2	0	0	0	0	0	114.5
75	I	27.8	Very low	27.1	Very low	162 Å²	162	157.1 Å²	157.1	83%	0.831	80%	0.804	S	S	*	*			trans	63.5	112.4	155.5	-21.7	-179.3	0	0	0	120.5
76	K	26.8	Very low	27.5	Very low	204 Å²	204	159.2 Å²	159.2	89%	0.887	81%	0.813	S	S	*	*				175.1	134.8	107.2	-93.8	172.2	-174.3	167.7	0	114.4
77	A	25.9	Very low	27.4	Very low	104 Å²	104	158.3 Å²	158.3	86%	0.86	82%	0.815	S	S	*	*			trans	-88	156.1	179.5	0	0	0	0	0	113.5
78	R	25.8	Very low	27.5	Very low	246 Å²	246	156.2 Å²	156.2	93%	0.928	81%	0.811	S	S	*	*			trans	-154.7	116.4	151.6	-150.1	166.5	-173.5	150.8	1.5	112.9
79	N	26.9	Very low	27.7	Very low	159 Å²	159	154.3 Å²	154.3	85%	0.85	81%	0.808	S	S	*	*			trans	-67.6	144.6	170.8	-98.3	-29.8	0	0	0	112.1
80	R	25.7	Very low	27.1	Very low	241 Å²	241	154.7 Å²	154.7	91%	0.909	81%	0.808	S	S	*	*			trans	-159.2	113.2	150.8	-115.4	178	-175.6	-179.3	-0.2	111.5
81	N	25.5	Very low	26.9	Very low	155 Å²	155	153.8 Å²	153.8	83%	0.829	81%	0.811	S	S	*	*			trans	-68.3	140	160.7	-75.2	-11.6	0	0	0	109.7
82	Q	27.7	Very low	27.1	Very low	191 Å²	191	154.8 Å²	154.8	89%	0.893	81%	0.808	S	S	*	*			trans	-159.3	144.7	143	-115.4	165.8	1.4	0	0	111.3
83	N	25.4	Very low	27.1	Very low	129 Å²	129	158.1 Å²	158.1	69%	0.69	82%	0.815	S	S	*	*			trans	-78.4	167	-174.5	-71	-21.5	0	0	0	113.3
84	Y	25	Very low	27.1	Very low	207 Å²	207	157.5 Å²	157.5	81%	0.812	81%	0.811	S	S	*	*			trans	106.5	143.8	145.6	-62.4	-68.8	0	0	0	119.6
85	L	23.5	Very low	27.1	Very low	163 Å²	163	160.7 Å²	160.7	85%	0.853	81%	0.813	S	S	*	*			trans	86.4	111.7	154.8	-70.7	141.3	0	0	0	119
86	V	35.8	Very low	27.1	Very low	132 Å²	132	162.1 Å²	162.1	80%	0.8	82%	0.816	S	S	*	*			trans	-53.7	144.2	155.8	176.5	0	0	0	0	110.9
87	P	26.4	Very low	27	Very low	116 Å²	116	158.5 Å²	158.5	75%	0.753	81%	0.811	S	S	*	*			trans	-125.5	125.3	145.9	31	-17.2	0	0	0	112.2
88	S	29.8	Very low	27.1	Very low	98 Å²	98	157.9 Å²	157.9	69%	0.685	81%	0.806	S	S	*	*			trans	-80	141.5	161	170.7	0	0	0	0	109.9
89	P	34.2	Very low	26.9	Very low	117 Å²	117	155.8 Å²	155.8	76%	0.76	80%	0.804	S	S	*	*			trans	-95	103.5	158.2	31.9	-22.7	0	0	0	108.8
90	V	24.8	Very low	26.9	Very low	122 Å²	122	152.8 Å²	152.8	74%	0.739	80%	0.795	S	S	*	*				59.1	98	83.6	-177.4	0	0	0	0	113.4
91	L	27.3	Very low	27	Very low	165 Å²	165	146.9 Å²	146.9	86%	0.864	79%	0.786	S	S	*	*			trans	-59.9	140.6	163.2	-74.5	161.9	0	0	0	111
92	R	26.3	Very low	27.2	Very low	236 Å²	236	146.9 Å²	146.9	89%	0.891	78%	0.781	S	S	*	*			trans	-106.4	112.9	163.7	-77.3	-171.1	176.4	-176.5	0.2	110.2
93	I	27.3	Very low	27.2	Very low	139 Å²	139	145.9 Å²	145.9	71%	0.713	77%	0.774	S	S	*	*			trans	-90.9	134.9	162.4	-61.1	170.3	0	0	0	107.3
94	L	26.2	Very low	27.4	Very low	157 Å²	157	144.7 Å²	144.7	82%	0.822	78%	0.776	S	S	*	*			trans	-139.8	97.9	161.7	-80.1	177.5	0	0	0	108.9
95	D	24.9	Very low	27.6	Very low	131 Å²	131	138.8 Å²	138.8	70%	0.701	77%	0.77	S	S	*	*			trans	-83.9	140.5	159.7	-76.2	-47.5	0	0	0	109.3
96	H	28.2	Very low	27.7	Very low	192 Å²	192	138.1 Å²	138.1	89%	0.889	77%	0.767	S	S	*	*			trans	-148.9	122.9	147.4	-91.3	-61.5	0	0	0	111
97	T	24.9	Very low	27.4	Very low	129 Å²	129	138.3 Å²	138.3	79%	0.791	76%	0.762	S	S	*	*			trans	-94.4	147.4	-179.6	49.7	0	0	0	0	113.1
98	A	26.7	Very low	27.4	Very low	90 Å²	90	142.1 Å²	142.1	74%	0.744	77%	0.77	S	S	*	*			trans	71.8	117.5	149.3	0	0	0	0	0	120.6
99	F	22.2	Very low	27.5	Very low	203 Å²	203	144 Å²	144	89%	0.89	77%	0.771	S	S	*	*				-152.7	150.9	110	-141.3	-97.2	0	0	0	111.4
100	S	26.5	Very low	27.1	Very low	95 Å²	95	144.7 Å²	144.7	66%	0.664	78%	0.777	S	S	*	*			trans	-121.5	156	-176.5	-52.6	0	0	0	0	110.8
101	T	27.6	Very low	27.2	Very low	118 Å²	118	145.8 Å²	145.8	72%	0.724	78%	0.778	S	S	*	*				171.3	123.7	129.3	38.8	0	0	0	0	112.7
102	E	30.8	Very low	27.2	Very low	155 Å²	155	147.5 Å²	147.5	72%	0.724	78%	0.782	S	S	*	*			trans	72.5	141.8	137	-67.9	-177.6	-144.4	0	0	120.1
103	K	27.2	Very low	27.3	Very low	169 Å²	169	145.1 Å²	145.1	74%	0.735	78%	0.781	S	S	*	*			cis	-158.5	150.8	28	-136.1	163.2	-170	162.6	0	113.7
104	S	28.8	Very low	27.4	Very low	105 Å²	105	143.7 Å²	143.7	73%	0.734	78%	0.782	S	S	*	*			trans	19.9	138.9	145.1	64.9	0	0	0	0	120.3
105	A	29.2	Very low	27.3	Very low	83 Å²	83	143.5 Å²	143.5	69%	0.686	78%	0.782	S	S	*	*			cis	-158.8	-163.7	16.5	0	0	0	0	0	109.7
106	D	26.7	Very low	27.7	Very low	149 Å²	149	142 Å²	142	80%	0.797	78%	0.782	S	S	*	*			cis	-153.4	-158.9	3.2	-139.5	-47.5	0	0	0	111.4
107	I	28.8	Very low	28.1	Very low	136 Å²	136	139 Å²	139	70%	0.697	78%	0.779	S	S	*	*			trans	-111.2	141.4	-173.6	-65.2	157.5	0	0	0	113.2
108	E	26.1	Very low	28	Very low	195 Å²	195	142.1 Å²	142.1	91%	0.911	79%	0.785	S	S	*	*			trans	-157.4	140.8	132.9	-117.8	169.1	-150.9	0	0	112.4
109	I	33	Very low	28.2	Very low	139 Å²	139	143 Å²	143	71%	0.713	79%	0.786	S	S	*	*			trans	-116.4	140.6	174.8	-64.1	166.7	0	0	0	106
110	C	26.2	Very low	28.3	Very low	130 Å²	130	139.8 Å²	139.8	88%	0.878	78%	0.783	S	S	*	*			trans	-160	135.5	147.6	-101	0	0	0	0	111.3
111	D	27	Very low	28.3	Very low	145 Å²	145	141 Å²	141	78%	0.775	78%	0.781	S	S	*	*			trans	-76.2	163.1	160.6	-53.8	-82	0	0	0	110.5
112	E	27	Very low	28.4	Very low	201 Å²	201	142.5 Å²	142.5	94%	0.939	78%	0.78	S	S	*	*				-177.3	162.6	119.4	-100.8	-166.6	176.2	0	0	112.7
113	E	28.4	Very low	28.3	Very low	186 Å²	186	143.8 Å²	143.8	87%	0.869	79%	0.786	S	S	*	*			trans	-94.8	170.3	-171.1	-61.4	-175.9	121.4	0	0	114.1
114	C	29.9	Very low	28.2	Very low	110 Å²	110	141.3 Å²	141.3	74%	0.743	79%	0.786	S	S	*	*			trans	37.7	122.4	144.5	-152.1	0	0	0	0	120
115	D	23.8	Very low	28	Very low	152 Å²	152	143.9 Å²	143.9	81%	0.813	79%	0.786	S	S	*	*				-166	159.6	102.1	-119.6	-26.6	0	0	0	116.1
116	S	32.4	Very low	27.7	Very low	100 Å²	100	147 Å²	147	70%	0.699	79%	0.786	S	S	*	*			trans	-86.8	165.7	164.1	-60.4	0	0	0	0	111
117	P	36.7	Very low	27.8	Very low	129 Å²	129	148.6 Å²	148.6	84%	0.838	79%	0.789	S	S	*	*				-141.4	171.7	129	31.6	-14.9	0	0	0	115.6
118	E	24.1	Very low	27.9	Very low	195 Å²	195	146.8 Å²	146.8	91%	0.911	79%	0.788	S	S	*	*			trans	-86.8	-176.9	-164.7	-60.4	177.6	118.2	0	0	116.4
119	S	30.6	Very low	28.4	Very low	109 Å²	109	142.7 Å²	142.7	76%	0.762	78%	0.779	S	S	*	*			trans	-61.8	160.9	-175	58	0	0	0	0	119.4
120	V	23.3	Very low	28.1	Very low	135 Å²	135	144 Å²	144	82%	0.818	79%	0.785	S	S	*	*			trans	-154.8	114	141.2	142	0	0	0	0	107.2
121	N	26.3	Very low	28.1	Very low	119 Å²	119	146.2 Å²	146.2	64%	0.636	78%	0.783	S	S	*	*				74.2	140.6	92.2	-127.7	44.6	0	0	0	114.7
122	Q	31.2	Very low	28	Very low	151 Å²	151	144.4 Å²	144.4	71%	0.706	78%	0.777	S	S	*	*			cis	-175.4	160.7	-15.2	-126.6	174.3	12.7	0	0	108.9
123	Q	27.6	Very low	28.1	Very low	182 Å²	182	143.6 Å²	143.6	85%	0.85	77%	0.773	S	S	*	*			trans	152.5	101.1	146	-87.8	173.2	-3.5	0	0	111.1
124	T	24.6	Very low	27.9	Very low	117 Å²	117	140 Å²	140	72%	0.718	76%	0.764	S	S	*	*				91.4	116.7	72.1	51.1	0	0	0	0	115
125	Q	24.7	Very low	27.8	Very low	158 Å²	158	139.2 Å²	139.2	74%	0.738	77%	0.765	S	S	*	*				-175	135.6	113.4	-99.2	-174.9	-66.2	0	0	113.7
126	E	24.2	Very low	28	Very low	148 Å²	148	140.8 Å²	140.8	69%	0.692	77%	0.767	S	S	*	*			trans	49.2	110.2	147.2	-69.5	149.5	-137.1	0	0	120.6
127	E	27.7	Very low	27.7	Very low	183 Å²	183	143.4 Å²	143.4	86%	0.855	77%	0.774	S	S	*	*				73.6	138.9	80.5	-76.1	-170.3	-162.7	0	0	114.7
128	S	30.5	Very low	27.3	Very low	98 Å²	98	143.5 Å²	143.5	69%	0.685	77%	0.772	S	S	*	*			cis	-170	-161.5	-6.8	54	0	0	0	0	108.2
129	P	37.9	Very low	28.4	Very low	110 Å²	110	139.5 Å²	139.5	71%	0.714	76%	0.763	S	S	*	*				-122.9	-176.9	-71.3	37.9	-21.5	0	0	0	114.1
130	I	26.5	Very low	28.1	Very low	166 Å²	166	142.5 Å²	142.5	85%	0.851	77%	0.768	S	S	*	*			trans	-172.2	147.1	135.4	-94.9	153.4	0	0	0	110.7
131	E	25.8	Very low	28.2	Very low	176 Å²	176	140.3 Å²	140.3	82%	0.822	76%	0.764	S	S	*	*			trans	-70.2	146.1	-171.3	-65	149.9	153.3	0	0	113.4
132	V	24.5	Very low	28.2	Very low	107 Å²	107	141.6 Å²	141.6	65%	0.648	78%	0.776	S	S	*	*			cis	78.7	111	47.4	-179.9	0	0	0	0	115.2	T134	V132-T134 HydrophobicContact CG1-CG2 3.82Å
133	H	29.4	Very low	28	Very low	184 Å²	184	142.2 Å²	142.2	85%	0.852	78%	0.779	S	S	*	*			trans	-167.6	110.1	140	-82.3	-51.8	0	0	0	107.2
134	T	24.5	Very low	27.8	Very low	111 Å²	111	139.1 Å²	139.1	68%	0.681	77%	0.772	S	S	*	*				73.6	106.5	55.2	66.9	0	0	0	0	116.3	V132	V132-T134 HydrophobicContact CG1-CG2 3.82Å
135	A	27.6	Very low	27.9	Very low	94 Å²	94	142.2 Å²	142.2	78%	0.777	78%	0.778	S	S	*	*			trans	163.6	104.1	140.1	0	0	0	0	0	108.4
136	E	27.8	Very low	27.9	Very low	184 Å²	184	139 Å²	139	86%	0.86	78%	0.779	S	S	*	*				85.2	88	79.1	-78.8	-176.6	-174	0	0	114.9
137	D	26.5	Very low	28	Very low	155 Å²	155	139.3 Å²	139.3	83%	0.829	78%	0.783	S	S	*	*				55.1	137.4	110.3	-85.4	-39.5	0	0	0	125.4
138	V	28.7	Very low	27.9	Very low	132 Å²	132	135.9 Å²	135.9	80%	0.8	78%	0.78	S	S	*	*			trans	98.8	135.1	139.7	161.2	0	0	0	0	120.6
139	P	46.2	Very low	27.8	Very low	111 Å²	111	139.7 Å²	139.7	72%	0.721	79%	0.787	S	S	*	*			trans	-112.4	-179.4	-167	43.6	-33.4	0	0	0	113.8
140	I	25	Very low	27.2	Very low	172 Å²	172	141.7 Å²	141.7	88%	0.882	79%	0.791	S	S	*	*			trans	-146	142.9	162.9	-90.1	135	0	0	0	110.3
141	A	25.7	Very low	27.3	Very low	89 Å²	89	144.6 Å²	144.6	74%	0.736	79%	0.793	S	S	*	*			trans	-117.6	155.2	161.6	0	0	0	0	0	108.9
142	V	25.9	Very low	27.3	Very low	145 Å²	145	143.2 Å²	143.2	88%	0.879	79%	0.792	S	S	*	*			trans	-177.2	164.9	150.3	138.5	0	0	0	0	111.6
143	E	26.5	Very low	27.5	Very low	165 Å²	165	146 Å²	146	77%	0.771	80%	0.801	S	S	*	*			trans	-77.4	159.4	-161	-67	170.7	111.4	0	0	119.2
144	V	23.8	Very low	27.4	Very low	116 Å²	116	144.9 Å²	144.9	70%	0.703	80%	0.796	S	S	*	*			trans	50.6	121.3	134.1	177.5	0	0	0	0	120.3
145	H	27.3	Very low	27.4	Very low	183 Å²	183	145.3 Å²	145.3	85%	0.847	80%	0.799	S	S	*	*				-158.5	141.7	118.7	-106.9	-61.5	0	0	0	112.8
146	A	23.5	Very low	27.5	Very low	90 Å²	90	149.9 Å²	149.9	74%	0.744	80%	0.804	S	S	*	*			trans	-95.9	141.9	166.3	0	0	0	0	0	109.9
147	I	26.8	Very low	27.3	Very low	155 Å²	155	147.9 Å²	147.9	80%	0.795	80%	0.799	S	S	*	*			trans	-136.3	132.3	163.1	-59.4	-179.3	0	0	0	107.8	E149	I147-E149 HydrophobicContact CG2-CG 4.27Å
148	S	26.5	Very low	27.3	Very low	111 Å²	111	148.4 Å²	148.4	78%	0.776	80%	0.802	S	S	*	*			trans	-118.4	128	172.6	50.5	0	0	0	0	108.1
149	E	27.9	Very low	27.1	Very low	178 Å²	178	147 Å²	147	83%	0.832	80%	0.798	S	S	*	*			trans	-137.9	120.9	166.8	-68.9	-168.6	159.4	0	0	109.8	I147	I147-E149 HydrophobicContact CG2-CG 4.27Å
150	D	25.6	Very low	26.3	Very low	152 Å²	152	146.2 Å²	146.2	81%	0.813	80%	0.795	S	S	*	*			trans	-79.7	147.7	164.6	-56.8	-66.9	0	0	0	109.4
151	Y	28	Very low	26.4	Very low	226 Å²	226	146.9 Å²	146.9	89%	0.886	80%	0.795	S	S	*	*			trans	-156.7	121.1	149.7	-111.6	-75.2	0	0	0	111.2
152	D	25.1	Very low	26.4	Very low	148 Å²	148	147 Å²	147	79%	0.791	79%	0.79	S	S	*	*			trans	-72.3	155.5	163.7	-64.8	-65	0	0	0	110.9
153	I	29.9	Very low	26.4	Very low	165 Å²	165	146.5 Å²	146.5	85%	0.846	78%	0.781	S	S	*	*			trans	-163.1	144.9	132.9	-99.5	151.6	0	0	0	110.9
154	E	26.8	Very low	26.6	Very low	161 Å²	161	146.6 Å²	146.6	75%	0.752	78%	0.782	S	S	*	*			trans	-72.9	162.2	-161.4	-59.4	175.4	133	0	0	117.4
155	T	25.3	Very low	26.7	Very low	119 Å²	119	147.7 Å²	147.7	73%	0.73	78%	0.784	S	S	*	*			trans	62.4	126.3	141.1	52.1	0	0	0	0	121.3
156	E	27.6	Very low	26.9	Very low	190 Å²	190	146.6 Å²	146.6	89%	0.888	78%	0.779	S	S	*	*				-160.3	161.1	87.9	-105.3	-171.4	-175.8	0	0	113.1
157	N	25.1	Very low	27.1	Very low	143 Å²	143	147.5 Å²	147.5	77%	0.765	78%	0.775	S	S	*	*			trans	-87.3	159.8	-171.8	-66.8	-64.6	0	0	0	113.2
158	N	25.9	Very low	27	Very low	165 Å²	165	146.6 Å²	146.6	88%	0.882	77%	0.772	S	S	*	*				-158.8	144.3	121.6	-102.5	-51.9	0	0	0	113.3
159	S	25.3	Very low	27	Very low	103 Å²	103	150.2 Å²	150.2	72%	0.72	78%	0.777	S	S	*	*			trans	-77.1	170.7	-177.6	52.8	0	0	0	0	112.2
160	S	29.4	Very low	27	Very low	94 Å²	94	150.3 Å²	150.3	66%	0.657	78%	0.777	S	S	*	*			cis	-144.4	-169.1	24.5	-50.7	0	0	0	0	110.1
161	E	25.7	Very low	28.2	Very low	187 Å²	187	147.7 Å²	147.7	87%	0.874	77%	0.769	S	S	*	*			cis	-157.3	-174.1	16.1	-150.1	162.2	123.9	0	0	113.7
162	S	26.3	Very low	28.7	Very low	90 Å²	90	142.9 Å²	142.9	63%	0.629	77%	0.765	S	S	*	*			trans	-59.8	160.3	-180	-140	0	0	0	0	116
163	L	27.1	Very low	28.8	Very low	135 Å²	135	140.1 Å²	140.1	71%	0.707	76%	0.763	S	S	*	*			cis	-149.5	143.3	28.4	-75.1	156.4	0	0	0	113
164	Q	29.4	Very low	28.8	Very low	167 Å²	167	142.5 Å²	142.5	78%	0.78	77%	0.767	S	S	*	*			trans	39.3	144.7	135	-66.5	153.4	-8.2	0	0	121.4
165	D	25.9	Very low	28.7	Very low	140 Å²	140	141.9 Å²	141.9	75%	0.749	77%	0.769	S	S	*	*			cis	-152.1	174.9	36.3	-156.2	6.3	0	0	0	115.2
166	Q	32.9	Very low	28.6	Very low	159 Å²	159	142 Å²	142	74%	0.743	77%	0.773	S	S	*	*			trans	-77.6	177.3	-172.5	-58	161.1	0.6	0	0	112.3
167	T	25.7	Very low	28.8	Very low	109 Å²	109	141.6 Å²	141.6	67%	0.669	77%	0.768	S	S	*	*			cis	-161.1	132.5	34.6	50.2	0	0	0	0	107.4
168	D	25.1	Very low	28.9	Very low	136 Å²	136	142.9 Å²	142.9	73%	0.727	77%	0.773	S	S	*	*				113.6	151.4	71	-75.9	-29.7	0	0	0	112.2
169	E	27	Very low	29.1	Very low	188 Å²	188	141.6 Å²	141.6	88%	0.879	77%	0.765	S	S	*	*			trans	94.8	122.7	168	-64.6	-61.6	155.4	0	0	120.1
170	E	28.4	Very low	29	Very low	179 Å²	179	144.2 Å²	144.2	84%	0.836	77%	0.771	S	S	*	*			trans	-115.6	-166.6	-172	-128.1	-143.5	139	0	0	110.2
171	P	50.7	Low	29.3	Very low	97 Å²	97	148.1 Å²	148.1	63%	0.63	78%	0.777	S	S	*	*			trans	-108.8	-156.6	-149.5	35.9	-14.9	0	0	0	112.3
172	P	38.6	Very low	29.4	Very low	125 Å²	125	144.1 Å²	144.1	81%	0.812	77%	0.769	S	S	*	*				-151.3	170	82.2	37.6	-17.1	0	0	0	117.2
173	A	27.8	Very low	29.5	Very low	91 Å²	91	148.9 Å²	148.9	75%	0.752	78%	0.782	S	S	*	*			trans	-58.5	165.9	178.2	0	0	0	0	0	116.7
174	K	29.3	Very low	29.9	Very low	214 Å²	214	147 Å²	147	93%	0.93	79%	0.786	S	S	*	*			trans	-146.4	124.5	137.4	-114	163.4	-168.3	172.5	0	113.3
175	L	25.1	Very low	29.9	Very low	149 Å²	149	147 Å²	147	78%	0.78	79%	0.79	S	S	*	*			trans	-86.8	142.5	176.6	-176.6	79.9	0	0	0	109.7
176	C	22.9	Very low	30.1	Very low	122 Å²	122	147.5 Å²	147.5	82%	0.824	79%	0.793	S	S	*	*				-170.2	135.4	125.6	-110.3	0	0	0	0	113.7
177	K	31.2	Very low	29.8	Very low	181 Å²	181	146.2 Å²	146.2	79%	0.787	80%	0.796	S	S	*	*			trans	-83.1	159.5	164.7	-58.2	167.4	179.9	174.6	0	108.4
178	I	27.6	Very low	30.2	Very low	170 Å²	170	147 Å²	147	87%	0.872	80%	0.8	S	S	*	*				-162.1	146.8	125.1	-98	149.6	0	0	0	108.8
179	L	29.9	Very low	30.3	Very low	137 Å²	137	145 Å²	145	72%	0.717	80%	0.803	S	S	*	*			trans	-88.6	151.2	-176.8	-165.9	82.3	0	0	0	109.5
180	D	23.6	Very low	30.4	Very low	158 Å²	158	144.6 Å²	144.6	85%	0.845	80%	0.801	S	S	*	*			trans	-153.4	141.5	138.5	-110.6	-28.6	0	0	0	113.5
181	K	34.3	Very low	30.5	Very low	176 Å²	176	145 Å²	145	77%	0.765	80%	0.803	S	S	*	*			trans	-90.2	149.9	164	-59.4	172	176.3	174.3	0	105.4
182	S	28.9	Very low	29.5	Very low	103 Å²	103	149.5 Å²	149.5	72%	0.72	81%	0.813	S	S	*	*			cis	-176.7	152.8	39.7	51.4	0	0	0	0	109.2
183	Q	27.9	Very low	29.2	Very low	191 Å²	191	150.4 Å²	150.4	89%	0.893	80%	0.8	S	S	*	*				172.4	133.3	128.2	-95.3	168.3	14.8	0	0	109.3
184	A	36.4	Very low	29.6	Very low	96 Å²	96	150.5 Å²	150.5	79%	0.793	79%	0.793	S	S	*	*			trans	-81	144.4	170.2	0	0	0	0	0	109.8
185	L	29.3	Very low	30.4	Very low	167 Å²	167	143.3 Å²	143.3	87%	0.874	76%	0.764	S	S	*	*			trans	-169.7	154.2	135.1	-101.3	165.3	0	0	0	110.3
186	N	30.1	Very low	31.5	Very low	149 Å²	149	141.8 Å²	141.8	80%	0.797	76%	0.756	S	S	*	*			trans	-66.2	157.4	-169.6	-62.7	-48.5	0	0	0	114.2
187	V	25.3	Very low	32.5	Very low	133 Å²	133	143 Å²	143	81%	0.806	74%	0.743	S	S	*	*				-176.1	144.8	112	148.3	0	0	0	0	110.7	A189	V187-A189 PolarHBondContact O-N 2.99Å; V187-A189 VanDerWaalsContact O-N 3.16Å
188	T	34.9	Very low	33.3	Very low	125 Å²	125	136.1 Å²	136.1	77%	0.767	72%	0.721	S	S	*	*			trans	-53.7	106.5	-179.9	47.4	0	0	0	0	114.4	Q190	T188-Q190 PolarHBondContact O-N 3.39Å
189	A	27.1	Very low	34.2	Very low	95 Å²	95	135.3 Å²	135.3	79%	0.785	72%	0.718	S	S	*	*			trans	-85.1	87.7	165.4	0	0	0	0	0	110.3	V187 Q191	V187-A189 PolarHBondContact O-N 2.99Å; V187-A189 VanDerWaalsContact O-N 3.16Å; A189-Q191 PolarHBondContact O-N 3.22Å; A189-Q191 VanDerWaalsContact O-N 3.08Å
190	Q	29.3	Very low	35.2	Very low	179 Å²	179	134.8 Å²	134.8	84%	0.836	73%	0.726	S	S	*	*			trans	-59.2	112.4	166.1	-71.8	176.5	-21.2	0	0	109	T188 K192	T188-Q190 PolarHBondContact O-N 3.39Å; Q190-K192 PolarHBondContact O-N 3.31Å
191	Q	30.5	Very low	36.7	Very low	186 Å²	186	131 Å²	131	87%	0.869	71%	0.711	S	S	*	*			trans	-69	86.8	165.1	-74.3	-171.5	-6.9	0	0	108.7	A189 W193	A189-Q191 PolarHBondContact O-N 3.22Å; A189-Q191 VanDerWaalsContact O-N 3.08Å; Q191-W193 PolarHBondContact O-N 3.16Å
192	K	28.9	Very low	37.9	Very low	193 Å²	193	125 Å²	125	84%	0.839	70%	0.699	S	S	*	*			trans	-64.9	113.9	174.7	-173.6	177.5	-178.7	-179.6	0	108.3	Q190	Q190-K192 PolarHBondContact O-N 3.31Å
193	W	31.9	Very low	39.5	Very low	144 Å²	144	123.1 Å²	123.1	55%	0.545	68%	0.681	S	S	.	*			trans	-59.2	135.4	179	-72.3	67.3	0	0	0	110.5	Q191 L195 M223	Q191-W193 PolarHBondContact O-N 3.16Å; W193-L195 HydrophobicContact CB-CD1 3.54Å; W193-L195 HydrophobicContact CB-CG 3.77Å; W193-L195 HydrophobicContact CG-CD1 4.28Å; W193-L195 PolarHBondContact O-N 2.99Å; W193-M223 HydrophobicContact CZ3-CB 4.26Å
194	P	37.5	Very low	41.2	Very low	92 Å²	92	116.3 Å²	116.3	60%	0.597	65%	0.648	S	S	*	*			trans	-74.8	89.7	175	30.9	-32.7	0	0	0	109
195	L	45.7	Very low	42.5	Very low	63 Å²	63	116.8 Å²	116.8	33%	0.33	63%	0.632	S	S	.	*			trans	-131.2	109.3	-175.9	-62.6	171.4	0	0	0	109.1	W193 F216 L219	W193-L195 HydrophobicContact CB-CD1 3.54Å; W193-L195 HydrophobicContact CB-CG 3.77Å; W193-L195 HydrophobicContact CG-CD1 4.28Å; W193-L195 PolarHBondContact O-N 2.99Å; L195-F216 HydrophobicContact CD1-CE2 3.7Å; L195-F216 HydrophobicContact CD1-CZ 3.78Å; L195-L219 HydrophobicContact CD2-CD2 4.06Å
196	L	47.8	Very low	44.2	Very low	117 Å²	117	109 Å²	109	61%	0.613	59%	0.591	S	S	*	*			trans	-111.4	132.8	179.5	-112.6	138.7	0	0	0	111.2	E207	L196-E207 VanDerWaalsContact CD1-OE1 3.26Å; L196-E207 WeakPolarHBondContact CD1-OE1 3.44Å
197	R	44	Very low	45.4	Very low	147 Å²	147	107 Å²	107	56%	0.555	58%	0.577	S	S	*	*	B	Isolated β-bridge	trans	-90.7	125.8	172.6	-167.5	-163.8	-59.2	-109.6	5	108.1	N199 Y204	R197-N199 PolarHBondContact O-N 2.84Å; R197-Y204 PolarHBondContact NH1-OH 3.3Å
198	A	47.7	Very low	46.9	Very low	38 Å²	38	106.1 Å²	106.1	31%	0.314	57%	0.567	S	S	.	*			trans	-79	112.2	179.6	0	0	0	0	0	111.2	S200	A198-S200 VanDerWaalsContact C-N 3.33Å; A198-S200 PolarHBondContact O-N 2.85Å
199	N	47.4	Very low	48.4	Very low	152 Å²	152	102.4 Å²	102.4	81%	0.813	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	80.2	178.1	-76.3	-3.4	0	0	0	111.6	R197	R197-N199 PolarHBondContact O-N 2.84Å
200	S	50.1	Low	50.3	Low	126 Å²	126	106.5 Å²	106.5	88%	0.881	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-178.6	-22.8	155.3	32.4	0	0	0	0	112.7	A198	A198-S200 VanDerWaalsContact C-N 3.33Å; A198-S200 PolarHBondContact O-N 2.85Å
201	S	56.5	Low	51.8	Low	78 Å²	78	101.6 Å²	101.6	55%	0.545	53%	0.525	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.8	-5.3	-176	54.3	0	0	0	0	115.2	L203	S201-L203 PolarHBondContact O-N 3.36Å
202	G	59.3	Low	53.5	Low	50 Å²	50	96.6 Å²	96.6	52%	0.515	50%	0.504	S	S	.	.			trans	72.7	2.6	174.8	0	0	0	0	0	115.8
203	L	62.2	Low	54.9	Low	65 Å²	65	88 Å²	88	34%	0.34	47%	0.469	S	S	.	.	P	Polyproline II helix	trans	-86.7	148	179.3	-58.2	177.8	0	0	0	112.2	S201 N212 K214	S201-L203 PolarHBondContact O-N 3.36Å; L203-N212 HydrophobicContact CD1-CB 4.37Å; L203-K214 HydrophobicContact CD2-CB 4.13Å
204	Y	63.3	Low	55.9	Low	47 Å²	47	87.7 Å²	87.7	18%	0.184	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	117.8	168.7	-67.8	-82.1	0	0	0	109.2	R197 N212 S213 F216	R197-Y204 PolarHBondContact NH1-OH 3.3Å; Y204-N212 CarbonylContact O-C 3.44Å; Y204-N212 WeakPolarHBondContact O-CA 3.2Å; Y204-S213 PolarHBondContact N-O 2.93Å; Y204-S213 PolarHBondContact O-N 3.4Å; Y204-F216 AromaticContact CD1-CD2 3.96Å; Y204-F216 HydrophobicContact CD1-CD2 3.96Å; Y204-F216 HydrophobicContact CD2-CB 4.38Å; Y204-F216 HydrophobicContact CE1-CB 4.26Å; Y204-F216 AromaticContact CE1-CD2 3.73Å; Y204-F216 HydrophobicContact CE1-CD2 3.73Å; Y204-F216 HydrophobicContact CE1-CG 4.48Å; Y204-F216 HydrophobicContact CE2-CB 4.03Å
205	K	63.3	Low	56.7	Low	107 Å²	107	89.4 Å²	89.4	47%	0.465	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	140.1	-177.2	172.3	164	-178.9	-178.4	0	111.5	N212 L219	K205-N212 VanDerWaalsContact CB-OD1 3.28Å; K205-N212 WeakPolarHBondContact CB-OD1 3.48Å; K205-N212 VanDerWaalsContact CG-OD1 3.27Å; K205-N212 WeakPolarHBondContact CG-OD1 3.36Å; K205-L219 WeakPolarHBondContact O-CD2 3.49Å
206	C	65.3	Low	56.6	Low	2 Å²	2	91 Å²	91	1%	0.014	47%	0.471	C	S	.	.	P	Polyproline II helix	trans	-73.2	134.3	163.8	178.5	0	0	0	0	111.2	L208 C209 F211 L219 H222 M223	C206-L208 PolarHBondContact SG-N 2.92Å; C206-C209 WeakPolarHBondContact CB-O 3.35Å; C206-C209 PolarHBondContact SG-N 3.42Å; C206-F211 HydrophobicContact CB-CB 4.02Å; C206-F211 VanDerWaalsContact CB-O 3.23Å; C206-F211 WeakPolarHBondContact CB-O 3.11Å; C206-F211 PolarHBondContact N-O 3.34Å; C206-L219 HydrophobicContact CB-CD1 3.8Å; C206-H222 PolarHBondContact SG-NE2 3.35Å; C206-M223 HydrophobicContact CB-CE 4.22Å; C206-M223 WeakPolarHBondContact SG-CE 3.4Å
207	E	54.9	Low	56.6	Low	107 Å²	107	88.8 Å²	88.8	50%	0.5	47%	0.465	S	S	.	.	S	Bend	trans	-86.1	-16	173	-63.2	-174	168.4	0	0	113.1	L196	L196-E207 VanDerWaalsContact CD1-OE1 3.26Å; L196-E207 WeakPolarHBondContact CD1-OE1 3.44Å
208	L	57.5	Low	57.1	Low	115 Å²	115	84.8 Å²	84.8	60%	0.602	46%	0.455	S	S	*	.	S	Bend	trans	-100	-10.3	-174.6	-55.5	177.9	0	0	0	113.9	C206 M223 H227	C206-L208 PolarHBondContact SG-N 2.92Å; L208-M223 HydrophobicContact CD1-CE 4.34Å; L208-M223 HydrophobicContact CD1-SD 4.14Å; L208-H227 VanDerWaalsContact CB-CE1 3.45Å; L208-H227 WeakPolarHBondContact CB-CE1 3.35Å; L208-H227 WeakPolarHBondContact CB-ND1 3Å; L208-H227 HydrophobicContact CD1-CB 3.74Å; L208-H227 PolarHBondContact O-CE1 3.32Å
209	C	66.3	Low	57.3	Low	48 Å²	48	83.1 Å²	83.1	32%	0.324	44%	0.44	S	S	.	.	S	Bend	trans	-161.4	-179	172.4	77.2	0	0	0	0	110.5	C206 F211 H222	C206-C209 WeakPolarHBondContact CB-O 3.35Å; C206-C209 PolarHBondContact SG-N 3.42Å; C209-F211 PolarHBondContact O-N 3.4Å; C209-F211 VanDerWaalsContact SG-CB 3.56Å; C209-H222 PolarHBondContact SG-CE1 3.12Å; C209-H222 PolarHBondContact SG-NE2 3.26Å
210	E	67.1	Low	57.3	Low	180 Å²	180	80.9 Å²	80.9	84%	0.841	42%	0.424	S	S	*	.	S	Bend	trans	-79.7	7.9	-175.7	-57.4	-172.1	151.8	0	0	115	N212	E210-N212 PolarHBondContact O-N 2.99Å; E210-N212 PolarHBondContact O-ND2 3.06Å
211	F	60.7	Low	57.3	Low	77 Å²	77	79.8 Å²	79.8	34%	0.338	40%	0.404	S	S	.	.			trans	-67.5	129.7	-178.2	-175.9	-96.8	0	0	0	112.5	C206 C209 L219 H222	C206-F211 HydrophobicContact CB-CB 4.02Å; C206-F211 VanDerWaalsContact CB-O 3.23Å; C206-F211 WeakPolarHBondContact CB-O 3.11Å; C206-F211 PolarHBondContact N-O 3.34Å; C209-F211 PolarHBondContact O-N 3.4Å; C209-F211 VanDerWaalsContact SG-CB 3.56Å; F211-L219 HydrophobicContact CD1-CD1 4.08Å; F211-H222 HydrophobicContact CD1-CB 3.9Å; F211-H222 AromaticContact CD1-CD2 3.63Å; F211-H222 AromaticContact CD1-CG 3.5Å; F211-H222 VanDerWaalsContact CD1-CG 3.5Å; F211-H222 AromaticContact CD1-ND1 3.87Å; F211-H222 HydrophobicContact CE1-CB 3.72Å; F211-H222 AromaticContact CE1-CG 3.85Å; F211-H222 AromaticContact CG-CE1 3.8Å; F211-H222 AromaticContact CG-CG 3.81Å; F211-H222 AromaticContact CG-ND1 3.67Å; F211-H222 HydrophobicContact CZ-CB 4.2Å
212	N	65.6	Low	57.4	Low	80 Å²	80	77.2 Å²	77.2	43%	0.428	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	139.1	173.2	-54.7	-61.3	0	0	0	109.2	L203 Y204 K205 E210	L203-N212 HydrophobicContact CD1-CB 4.37Å; Y204-N212 CarbonylContact O-C 3.44Å; Y204-N212 WeakPolarHBondContact O-CA 3.2Å; K205-N212 VanDerWaalsContact CB-OD1 3.28Å; K205-N212 WeakPolarHBondContact CB-OD1 3.48Å; K205-N212 VanDerWaalsContact CG-OD1 3.27Å; K205-N212 WeakPolarHBondContact CG-OD1 3.36Å; E210-N212 PolarHBondContact O-N 2.99Å; E210-N212 PolarHBondContact O-ND2 3.06Å
213	S	59.4	Low	56.8	Low	14 Å²	14	75.9 Å²	75.9	10%	0.098	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	153.8	166.9	-178.5	0	0	0	0	112.2	Y204 Y215 D218	Y204-S213 PolarHBondContact N-O 2.93Å; Y204-S213 PolarHBondContact O-N 3.4Å; S213-Y215 VanDerWaalsContact C-N 3.29Å; S213-Y215 PolarHBondContact OG-N 3.41Å; S213-Y215 PolarHBondContact OG-O 3.49Å; S213-D218 PolarHBondContact OG-OD2 3.42Å
214	K	51.6	Low	56.4	Low	137 Å²	137	75.9 Å²	75.9	60%	0.596	36%	0.364	S	S	*	.	S	Bend	trans	-68.9	-26.8	166.4	-172.6	-179.2	176.1	-163.4	0	112.2	L203	L203-K214 HydrophobicContact CD2-CB 4.13Å
215	Y	54.9	Low	55.9	Low	128 Å²	128	78.8 Å²	78.8	50%	0.502	38%	0.382	S	S	.	.	S	Bend	trans	-117.8	142.8	-175.3	-54	-80.3	0	0	0	112.5	S213 S217 D218	S213-Y215 VanDerWaalsContact C-N 3.29Å; S213-Y215 PolarHBondContact OG-N 3.41Å; S213-Y215 PolarHBondContact OG-O 3.49Å; Y215-S217 VanDerWaalsContact C-N 3.32Å; Y215-S217 WeakPolarHBondContact CB-OG 3.35Å; Y215-S217 PolarHBondContact O-N 3.03Å; Y215-D218 PolarHBondContact O-N 3.16Å
216	F	43.9	Very low	55.2	Low	97 Å²	97	81.4 Å²	81.4	43%	0.425	39%	0.394	S	S	.	.	H	α-helix	trans	-67.7	-32.2	-178.3	-179	-98.1	0	0	0	113	L195 Y204 D218 K220	L195-F216 HydrophobicContact CD1-CE2 3.7Å; L195-F216 HydrophobicContact CD1-CZ 3.78Å; Y204-F216 AromaticContact CD1-CD2 3.96Å; Y204-F216 HydrophobicContact CD1-CD2 3.96Å; Y204-F216 HydrophobicContact CD2-CB 4.38Å; Y204-F216 HydrophobicContact CE1-CB 4.26Å; Y204-F216 AromaticContact CE1-CD2 3.73Å; Y204-F216 HydrophobicContact CE1-CD2 3.73Å; Y204-F216 HydrophobicContact CE1-CG 4.48Å; Y204-F216 HydrophobicContact CE2-CB 4.03Å; F216-D218 VanDerWaalsContact C-N 3.28Å; F216-D218 PolarHBondContact O-N 2.88Å; F216-K220 HydrophobicContact CE1-CD 4.45Å; F216-K220 WeakPolarHBondContact O-CB 3.4Å; F216-K220 PolarHBondContact O-N 2.84Å
217	S	47.8	Very low	54.5	Low	70 Å²	70	84.2 Å²	84.2	49%	0.49	41%	0.406	S	S	.	.	H	α-helix	trans	-50.3	-48.3	173.7	41	0	0	0	0	111.9	Y215 K220 Q221	Y215-S217 VanDerWaalsContact C-N 3.32Å; Y215-S217 WeakPolarHBondContact CB-OG 3.35Å; Y215-S217 PolarHBondContact O-N 3.03Å; S217-K220 WeakPolarHBondContact O-CB 3.45Å; S217-K220 PolarHBondContact O-N 3.22Å; S217-Q221 WeakPolarHBondContact O-CB 3.43Å; S217-Q221 PolarHBondContact O-N 3.08Å
218	D	53.4	Low	54.4	Low	63 Å²	63	86.1 Å²	86.1	34%	0.337	41%	0.413	S	S	.	.	H	α-helix	trans	-79	-35.2	-167.6	-32.5	-26.1	0	0	0	110.3	S213 Y215 F216 Q221 H222	S213-D218 PolarHBondContact OG-OD2 3.42Å; Y215-D218 PolarHBondContact O-N 3.16Å; F216-D218 VanDerWaalsContact C-N 3.28Å; F216-D218 PolarHBondContact O-N 2.88Å; D218-Q221 PolarHBondContact O-N 3.29Å; D218-H222 WeakPolarHBondContact O-CB 3.38Å; D218-H222 PolarHBondContact O-N 3.33Å
219	L	51.8	Low	53.6	Low	2 Å²	2	91.5 Å²	91.5	1%	0.01	43%	0.426	C	S	.	.	H	α-helix	trans	-64.1	-41.9	170.8	-179.6	62.9	0	0	0	111.1	L195 K205 C206 F211 H222 M223	L195-L219 HydrophobicContact CD2-CD2 4.06Å; K205-L219 WeakPolarHBondContact O-CD2 3.49Å; C206-L219 HydrophobicContact CB-CD1 3.8Å; F211-L219 HydrophobicContact CD1-CD1 4.08Å; L219-H222 PolarHBondContact O-N 3.47Å; L219-M223 WeakPolarHBondContact O-CG 3.49Å; L219-M223 PolarHBondContact O-N 3.48Å
220	K	47.8	Very low	52.6	Low	106 Å²	106	92.8 Å²	92.8	46%	0.461	43%	0.432	S	S	.	.	H	α-helix	trans	-62.5	-44.2	176.1	-173.5	-177.5	178	-172.3	0	111.3	F216 S217 M223 I224	F216-K220 HydrophobicContact CE1-CD 4.45Å; F216-K220 WeakPolarHBondContact O-CB 3.4Å; F216-K220 PolarHBondContact O-N 2.84Å; S217-K220 WeakPolarHBondContact O-CB 3.45Å; S217-K220 PolarHBondContact O-N 3.22Å; K220-M223 PolarHBondContact O-N 3.17Å; K220-I224 HydrophobicContact CG-CD1 4.29Å; K220-I224 WeakPolarHBondContact O-CD1 3.41Å; K220-I224 WeakPolarHBondContact O-CG1 3.38Å; K220-I224 PolarHBondContact O-N 3.33Å
221	Q	50.8	Low	51.6	Low	102 Å²	102	91 Å²	91	48%	0.477	43%	0.428	S	S	.	.	H	α-helix	trans	-65.8	-42.6	176.9	-168.6	64.6	3.7	0	0	111.7	S217 D218 M223 I224 L225	S217-Q221 WeakPolarHBondContact O-CB 3.43Å; S217-Q221 PolarHBondContact O-N 3.08Å; D218-Q221 PolarHBondContact O-N 3.29Å; Q221-M223 PolarHBondContact O-N 2.93Å; Q221-I224 PolarHBondContact O-N 3.4Å; Q221-L225 HydrophobicContact CG-CD1 3.85Å; Q221-L225 HydrophobicContact CG-CG 4.36Å; Q221-L225 WeakPolarHBondContact O-CB 3.41Å; Q221-L225 WeakPolarHBondContact O-CG 3.33Å; Q221-L225 PolarHBondContact O-N 3.38Å
222	H	58.1	Low	51.2	Low	24 Å²	24	91.4 Å²	91.4	11%	0.111	44%	0.441	C	S	.	.	H	α-helix	trans	-58.9	-43.4	174.2	163.6	81.6	0	0	0	112.5	C206 C209 F211 D218 L219 I224 L225 K226 H227	C206-H222 PolarHBondContact SG-NE2 3.35Å; C209-H222 PolarHBondContact SG-CE1 3.12Å; C209-H222 PolarHBondContact SG-NE2 3.26Å; F211-H222 HydrophobicContact CD1-CB 3.9Å; F211-H222 AromaticContact CD1-CD2 3.63Å; F211-H222 AromaticContact CD1-CG 3.5Å; F211-H222 VanDerWaalsContact CD1-CG 3.5Å; F211-H222 AromaticContact CD1-ND1 3.87Å; F211-H222 HydrophobicContact CE1-CB 3.72Å; F211-H222 AromaticContact CE1-CG 3.85Å; F211-H222 AromaticContact CG-CE1 3.8Å; F211-H222 AromaticContact CG-CG 3.81Å; F211-H222 AromaticContact CG-ND1 3.67Å; F211-H222 HydrophobicContact CZ-CB 4.2Å; D218-H222 WeakPolarHBondContact O-CB 3.38Å; D218-H222 PolarHBondContact O-N 3.33Å; L219-H222 PolarHBondContact O-N 3.47Å; H222-I224 PolarHBondContact O-N 3.48Å; H222-L225 PolarHBondContact O-N 2.83Å; H222-K226 WeakPolarHBondContact O-CB 3.19Å; H222-K226 PolarHBondContact O-N 2.81Å; H222-H227 AromaticContact CE1-CD2 4Å; H222-H227 AromaticContact CE1-NE2 3.71Å; H222-H227 AromaticContact NE2-CD2 3.54Å; H222-H227 AromaticContact NE2-NE2 3.4Å; H222-H227 PolarHBondContact NE2-NE2 3.17Å
223	M	47.5	Very low	51	Low	23 Å²	23	90 Å²	90	11%	0.113	43%	0.433	C	S	.	.	I	π-helix	trans	-57.7	-45.5	173.6	-74.5	-69.4	96.7	0	0	112.6	W193 C206 L208 L219 K220 Q221 H227 K228	W193-M223 HydrophobicContact CZ3-CB 4.26Å; C206-M223 HydrophobicContact CB-CE 4.22Å; C206-M223 WeakPolarHBondContact SG-CE 3.4Å; L208-M223 HydrophobicContact CD1-CE 4.34Å; L208-M223 HydrophobicContact CD1-SD 4.14Å; L219-M223 WeakPolarHBondContact O-CG 3.49Å; L219-M223 PolarHBondContact O-N 3.48Å; K220-M223 PolarHBondContact O-N 3.17Å; Q221-M223 PolarHBondContact O-N 2.93Å; M223-H227 HydrophobicContact CE-CB 4.32Å; M223-H227 WeakPolarHBondContact CE-CD2 3.29Å; M223-H227 PolarHBondContact O-N 3.23Å; M223-K228 PolarHBondContact O-N 3.42Å
224	I	52.7	Low	50.7	Low	65 Å²	65	92 Å²	92	33%	0.333	44%	0.444	S	S	.	.	I	π-helix	trans	-66.1	-42.8	179.7	-66	164.1	0	0	0	110.9	K220 Q221 H222 K228	K220-I224 HydrophobicContact CG-CD1 4.29Å; K220-I224 WeakPolarHBondContact O-CD1 3.41Å; K220-I224 WeakPolarHBondContact O-CG1 3.38Å; K220-I224 PolarHBondContact O-N 3.33Å; Q221-I224 PolarHBondContact O-N 3.4Å; H222-I224 PolarHBondContact O-N 3.48Å; I224-K228 WeakPolarHBondContact O-CB 3.4Å
225	L	52.4	Low	50.9	Low	108 Å²	108	85.7 Å²	85.7	57%	0.565	42%	0.417	S	S	*	.	I	π-helix	trans	-84.1	-26.2	-173.2	-67.1	177.9	0	0	0	115.4	Q221 H222	Q221-L225 HydrophobicContact CG-CD1 3.85Å; Q221-L225 HydrophobicContact CG-CG 4.36Å; Q221-L225 WeakPolarHBondContact O-CB 3.41Å; Q221-L225 WeakPolarHBondContact O-CG 3.33Å; Q221-L225 PolarHBondContact O-N 3.38Å; H222-L225 PolarHBondContact O-N 2.83Å
226	K	49.6	Very low	50.7	Low	161 Å²	161	91.3 Å²	91.3	70%	0.7	44%	0.438	S	S	*	.	I	π-helix	trans	-115.7	-24.5	-172.4	-65.6	-61.8	-174	-177.9	0	115.2	H222	H222-K226 WeakPolarHBondContact O-CB 3.19Å; H222-K226 PolarHBondContact O-N 2.81Å
227	H	50.1	Low	51.2	Low	61 Å²	61	91.6 Å²	91.6	28%	0.282	45%	0.447	S	S	.	.	I	π-helix	trans	-119.6	-16.7	-172.1	-66.3	-80.4	0	0	0	114.3	L208 H222 M223 R229	L208-H227 VanDerWaalsContact CB-CE1 3.45Å; L208-H227 WeakPolarHBondContact CB-CE1 3.35Å; L208-H227 WeakPolarHBondContact CB-ND1 3Å; L208-H227 HydrophobicContact CD1-CB 3.74Å; L208-H227 PolarHBondContact O-CE1 3.32Å; H222-H227 AromaticContact CE1-CD2 4Å; H222-H227 AromaticContact CE1-NE2 3.71Å; H222-H227 AromaticContact NE2-CD2 3.54Å; H222-H227 AromaticContact NE2-NE2 3.4Å; H222-H227 PolarHBondContact NE2-NE2 3.17Å; M223-H227 HydrophobicContact CE-CB 4.32Å; M223-H227 WeakPolarHBondContact CE-CD2 3.29Å; M223-H227 PolarHBondContact O-N 3.23Å; H227-R229 PolarHBondContact O-N 3.41Å
228	K	53.3	Low	51.6	Low	148 Å²	148	90.8 Å²	90.8	64%	0.643	44%	0.441	S	S	*	.			trans	-77.3	84.4	173.7	-163	-178.1	-178	-171.3	0	110.8	M223 I224 T230	M223-K228 PolarHBondContact O-N 3.42Å; I224-K228 WeakPolarHBondContact O-CB 3.4Å; K228-T230 PolarHBondContact O-N 2.94Å
229	R	41.5	Very low	51.7	Low	228 Å²	228	96 Å²	96	86%	0.86	46%	0.461	S	S	*	.			trans	-65.3	116.2	170.2	-76.9	-174.1	175.7	168.5	-2.2	110.1	H227	H227-R229 PolarHBondContact O-N 3.41Å
230	T	45.5	Very low	51.5	Low	74 Å²	74	101.1 Å²	101.1	45%	0.454	48%	0.484	S	S	.	.			trans	-126.3	109.1	156.6	52.1	0	0	0	0	107.1	K228 N245	K228-T230 PolarHBondContact O-N 2.94Å; T230-N245 PolarHBondContact OG1-ND2 3.47Å
231	D	44.2	Very low	51.7	Low	144 Å²	144	100.7 Å²	100.7	77%	0.77	50%	0.495	S	S	*	.	S	Bend	trans	-66.2	140.8	-177	-61.3	-57.3	0	0	0	111
232	S	53.2	Low	52.1	Low	85 Å²	85	98 Å²	98	59%	0.594	48%	0.482	S	S	*	.			trans	66.5	116	-170.4	74.1	0	0	0	0	115.9	V234	S232-V234 PolarHBondContact O-N 2.9Å
233	N	61.2	Low	51.8	Low	50 Å²	50	101.7 Å²	101.7	27%	0.267	51%	0.51	S	S	.	.			trans	-77.5	46.1	164.7	-68.3	-28	0	0	0	110.5	F242 S243 N245	N233-F242 HydrophobicContact CB-CB 4.48Å; N233-F242 WeakPolarHBondContact CB-O 3.18Å; N233-F242 PolarHBondContact ND2-O 3.39Å; N233-F242 VanDerWaalsContact ND2-O 3.16Å; N233-F242 PolarHBondContact O-N 2.85Å; N233-S243 PolarHBondContact ND2-O 3.27Å; N233-N245 PolarHBondContact OD1-N 3.45Å
234	V	53.4	Low	52.2	Low	55 Å²	55	103.5 Å²	103.5	33%	0.333	52%	0.523	S	S	.	.	B	Isolated β-bridge	trans	-109	129	-174.5	177.4	0	0	0	0	109.6	S232 R236 K239 E240	S232-V234 PolarHBondContact O-N 2.9Å; V234-R236 PolarHBondContact O-N 3.42Å; V234-K239 WeakPolarHBondContact CG1-O 3.41Å; V234-E240 CarbonylContact C-O 3.57Å; V234-E240 WeakPolarHBondContact CA-O 3.36Å
235	C	56.9	Low	52.2	Low	5 Å²	5	103.2 Å²	103.2	3%	0.034	52%	0.522	C	S	.	.			trans	-65.3	126	176.4	177.9	0	0	0	0	110.4	V237 C238 K239 E240 F242 L248 H251	C235-V237 PolarHBondContact O-N 3.03Å; C235-V237 PolarHBondContact SG-N 2.97Å; C235-V237 VanDerWaalsContact SG-N 3.4Å; C235-C238 VanDerWaalsContact CB-SG 3.52Å; C235-K239 WeakPolarHBondContact O-CA 3.2Å; C235-K239 PolarHBondContact O-N 3Å; C235-E240 PolarHBondContact N-O 3.16Å; C235-F242 HydrophobicContact CB-CE2 4.06Å; C235-L248 HydrophobicContact CB-CD1 3.85Å; C235-H251 VanDerWaalsContact SG-CD2 3.51Å; C235-H251 PolarHBondContact SG-NE2 3.24Å
236	R	48.8	Very low	52.2	Low	247 Å²	247	104.1 Å²	104.1	93%	0.932	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-16.7	-179.6	-66.9	-177.9	178.5	178.1	-1.6	113.5	V234	V234-R236 PolarHBondContact O-N 3.42Å
237	V	55.2	Low	52.6	Low	103 Å²	103	99.6 Å²	99.6	62%	0.624	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-58.2	-178.7	-169.9	0	0	0	0	111.2	C235 H255	C235-V237 PolarHBondContact O-N 3.03Å; C235-V237 PolarHBondContact SG-N 2.97Å; C235-V237 VanDerWaalsContact SG-N 3.4Å; V237-H255 WeakPolarHBondContact CG1-ND1 3.32Å
238	C	56.9	Low	53	Low	53 Å²	53	97.8 Å²	97.8	36%	0.358	50%	0.5	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-7.7	-178	70.5	0	0	0	0	115.2	C235 E240 H251	C235-C238 VanDerWaalsContact CB-SG 3.52Å; C238-E240 PolarHBondContact O-N 2.96Å; C238-E240 PolarHBondContact SG-N 3.1Å; C238-H251 PolarHBondContact SG-CE1 3.45Å; C238-H251 PolarHBondContact SG-NE2 3.46Å
239	K	54.2	Low	53.1	Low	173 Å²	173	95.3 Å²	95.3	75%	0.752	49%	0.493	S	S	*	.			trans	64	11.7	-176.2	-55.9	-179.8	-178.4	175	0	116.3	V234 C235	V234-K239 WeakPolarHBondContact CG1-O 3.41Å; C235-K239 WeakPolarHBondContact O-CA 3.2Å; C235-K239 PolarHBondContact O-N 3Å
240	E	48.8	Very low	53.8	Low	108 Å²	108	87.1 Å²	87.1	51%	0.505	46%	0.464	S	S	.	.			trans	-68.7	144	171.6	-68.5	-174.9	137.3	0	0	112.2	V234 C235 C238 F242 H251	V234-E240 CarbonylContact C-O 3.57Å; V234-E240 WeakPolarHBondContact CA-O 3.36Å; C235-E240 PolarHBondContact N-O 3.16Å; C238-E240 PolarHBondContact O-N 2.96Å; C238-E240 PolarHBondContact SG-N 3.1Å; E240-F242 HydrophobicContact CB-CE2 3.68Å; E240-F242 HydrophobicContact CB-CZ 3.72Å; E240-F242 WeakPolarHBondContact O-CE2 3.45Å; E240-H251 IonicContact OE2-CE1 3.32Å; E240-H251 PolarHBondContact OE2-CE1 2.8Å; E240-H251 VanDerWaalsContact OE2-CE1 3.32Å; E240-H251 IonicContact OE2-ND1 3.76Å
241	S	52.3	Low	54.7	Low	98 Å²	98	84.4 Å²	84.4	69%	0.685	45%	0.446	S	S	*	.	B	Isolated β-bridge	trans	-104.1	124.9	-179	61.3	0	0	0	0	111.9
242	F	58.8	Low	55.2	Low	45 Å²	45	79.4 Å²	79.4	20%	0.197	43%	0.425	C	S	.	.			trans	-104.5	145.2	-177.1	-63.1	-85	0	0	0	111.9	N233 C235 E240 T244 L247 L248 H251	N233-F242 HydrophobicContact CB-CB 4.48Å; N233-F242 WeakPolarHBondContact CB-O 3.18Å; N233-F242 PolarHBondContact ND2-O 3.39Å; N233-F242 VanDerWaalsContact ND2-O 3.16Å; N233-F242 PolarHBondContact O-N 2.85Å; C235-F242 HydrophobicContact CB-CE2 4.06Å; E240-F242 HydrophobicContact CB-CE2 3.68Å; E240-F242 HydrophobicContact CB-CZ 3.72Å; E240-F242 WeakPolarHBondContact O-CE2 3.45Å; F242-T244 PolarHBondContact O-N 2.86Å; F242-L247 HydrophobicContact CB-CB 4.17Å; F242-L247 HydrophobicContact CD1-CB 4.17Å; F242-L247 HydrophobicContact CG-CB 4.49Å; F242-L248 HydrophobicContact CB-CB 4.2Å; F242-L248 HydrophobicContact CD2-CB 4.19Å; F242-L248 HydrophobicContact CD2-CD1 3.87Å; F242-L248 HydrophobicContact CE2-CD1 4.3Å; F242-L248 HydrophobicContact CG-CB 4.36Å; F242-H251 HydrophobicContact CD1-CB 4.44Å; F242-H251 HydrophobicContact CE1-CB 3.88Å; F242-H251 AromaticContact CE1-CG 3.95Å; F242-H251 AromaticContact CE1-ND1 3.9Å; F242-H251 HydrophobicContact CE2-CB 4.03Å; F242-H251 AromaticContact CE2-CD2 3.8Å; F242-H251 AromaticContact CE2-CG 3.63Å; F242-H251 AromaticContact CE2-ND1 3.93Å; F242-H251 HydrophobicContact CZ-CB 3.68Å; F242-H251 AromaticContact CZ-CD2 3.87Å; F242-H251 AromaticContact CZ-CE1 3.75Å; F242-H251 AromaticContact CZ-CG 3.28Å; F242-H251 AromaticContact CZ-ND1 3.2Å; F242-H251 WeakPolarHBondContact CZ-ND1 3.45Å
243	S	51.8	Low	55.2	Low	101 Å²	101	80 Å²	80	71%	0.706	42%	0.417	S	S	*	.	S	Bend	trans	-67.2	-25.1	-179.6	58.5	0	0	0	0	113	N233 L247	N233-S243 PolarHBondContact ND2-O 3.27Å; S243-L247 WeakPolarHBondContact OG-CD1 3.27Å
244	T	56.3	Low	54.7	Low	62 Å²	62	80.6 Å²	80.6	38%	0.38	42%	0.42	S	S	.	.	S	Bend	trans	-137.6	154.8	177.4	71.9	0	0	0	0	112	F242 M246 L247 L248	F242-T244 PolarHBondContact O-N 2.86Å; T244-M246 PolarHBondContact O-N 2.85Å; T244-L247 PolarHBondContact O-N 3.2Å; T244-L247 WeakPolarHBondContact OG1-CG 3.43Å; T244-L247 PolarHBondContact OG1-N 2.99Å; T244-L248 PolarHBondContact O-N 3.34Å
245	N	51.5	Low	54.7	Low	59 Å²	59	82 Å²	82	32%	0.316	42%	0.422	S	S	.	.	H	α-helix	trans	-65.6	-26.6	176.4	-161.9	-102	0	0	0	112.5	T230 N233 L248 I249	T230-N245 PolarHBondContact OG1-ND2 3.47Å; N233-N245 PolarHBondContact OD1-N 3.45Å; N245-L248 PolarHBondContact O-N 3.04Å; N245-I249 VanDerWaalsContact O-CG1 3.32Å; N245-I249 WeakPolarHBondContact O-CG1 3.44Å; N245-I249 PolarHBondContact O-N 3.37Å; N245-I249 WeakPolarHBondContact OD1-CD1 3.49Å
246	M	53.3	Low	54.1	Low	126 Å²	126	89.7 Å²	89.7	62%	0.621	46%	0.458	S	S	*	.	H	α-helix	trans	-64.8	-48	175	-169.2	177.4	90.4	0	0	111.2	T244 L248 I249 E250	T244-M246 PolarHBondContact O-N 2.85Å; M246-L248 VanDerWaalsContact C-N 3.28Å; M246-L248 PolarHBondContact O-N 2.81Å; M246-I249 PolarHBondContact O-N 3.41Å; M246-I249 VanDerWaalsContact O-N 3.13Å; M246-E250 WeakPolarHBondContact O-CB 3.35Å; M246-E250 PolarHBondContact O-N 2.87Å
247	L	57.7	Low	53.9	Low	66 Å²	66	83.8 Å²	83.8	35%	0.346	44%	0.441	S	S	.	.	H	α-helix	trans	-64.5	-32.4	175.7	-67.4	170.1	0	0	0	112.1	F242 S243 T244 H251	F242-L247 HydrophobicContact CB-CB 4.17Å; F242-L247 HydrophobicContact CD1-CB 4.17Å; F242-L247 HydrophobicContact CG-CB 4.49Å; S243-L247 WeakPolarHBondContact OG-CD1 3.27Å; T244-L247 PolarHBondContact O-N 3.2Å; T244-L247 WeakPolarHBondContact OG1-CG 3.43Å; T244-L247 PolarHBondContact OG1-N 2.99Å; L247-H251 WeakPolarHBondContact O-CB 3.42Å; L247-H251 PolarHBondContact O-N 2.83Å
248	L	57.5	Low	53.3	Low	24 Å²	24	86.4 Å²	86.4	13%	0.126	45%	0.452	C	S	.	.	H	α-helix	trans	-66.6	-41.3	171.5	173	62.4	0	0	0	112.2	C235 F242 T244 N245 M246 A252	C235-L248 HydrophobicContact CB-CD1 3.85Å; F242-L248 HydrophobicContact CB-CB 4.2Å; F242-L248 HydrophobicContact CD2-CB 4.19Å; F242-L248 HydrophobicContact CD2-CD1 3.87Å; F242-L248 HydrophobicContact CE2-CD1 4.3Å; F242-L248 HydrophobicContact CG-CB 4.36Å; T244-L248 PolarHBondContact O-N 3.34Å; N245-L248 PolarHBondContact O-N 3.04Å; M246-L248 VanDerWaalsContact C-N 3.28Å; M246-L248 PolarHBondContact O-N 2.81Å; L248-A252 VanDerWaalsContact O-CB 3.29Å; L248-A252 WeakPolarHBondContact O-CB 3.45Å; L248-A252 PolarHBondContact O-N 2.94Å
249	I	56.7	Low	52.9	Low	96 Å²	96	85.9 Å²	85.9	49%	0.492	45%	0.448	S	S	.	.	H	α-helix	trans	-67.9	-38.1	177.3	-70.8	165.2	0	0	0	110.6	N245 M246 A252	N245-I249 VanDerWaalsContact O-CG1 3.32Å; N245-I249 WeakPolarHBondContact O-CG1 3.44Å; N245-I249 PolarHBondContact O-N 3.37Å; N245-I249 WeakPolarHBondContact OD1-CD1 3.49Å; M246-I249 PolarHBondContact O-N 3.41Å; M246-I249 VanDerWaalsContact O-N 3.13Å; I249-A252 PolarHBondContact O-N 3.36Å
250	E	55.4	Low	52.5	Low	55 Å²	55	83.4 Å²	83.4	26%	0.257	43%	0.434	S	S	.	.	H	α-helix	trans	-65.7	-46.9	174	-170.8	-179.4	164.5	0	0	111.4	M246 A252 K253 V270 I271	M246-E250 WeakPolarHBondContact O-CB 3.35Å; M246-E250 PolarHBondContact O-N 2.87Å; E250-A252 VanDerWaalsContact C-N 3.31Å; E250-A252 PolarHBondContact O-N 3.23Å; E250-K253 WeakPolarHBondContact O-CB 3.42Å; E250-K253 PolarHBondContact O-N 3.19Å; E250-V270 HydrophobicContact CG-CG2 4.39Å; E250-I271 VanDerWaalsContact OE1-CD1 3.25Å; E250-I271 WeakPolarHBondContact OE1-CD1 3.45Å
251	H	64	Low	52.1	Low	17 Å²	17	82.6 Å²	82.6	8%	0.079	43%	0.432	C	S	.	.	H	α-helix	trans	-61.9	-37	173	170.8	94.4	0	0	0	112.3	C235 C238 E240 F242 L247 K253 L254 H255	C235-H251 VanDerWaalsContact SG-CD2 3.51Å; C235-H251 PolarHBondContact SG-NE2 3.24Å; C238-H251 PolarHBondContact SG-CE1 3.45Å; C238-H251 PolarHBondContact SG-NE2 3.46Å; E240-H251 IonicContact OE2-CE1 3.32Å; E240-H251 PolarHBondContact OE2-CE1 2.8Å; E240-H251 VanDerWaalsContact OE2-CE1 3.32Å; E240-H251 IonicContact OE2-ND1 3.76Å; F242-H251 HydrophobicContact CD1-CB 4.44Å; F242-H251 HydrophobicContact CE1-CB 3.88Å; F242-H251 AromaticContact CE1-CG 3.95Å; F242-H251 AromaticContact CE1-ND1 3.9Å; F242-H251 HydrophobicContact CE2-CB 4.03Å; F242-H251 AromaticContact CE2-CD2 3.8Å; F242-H251 AromaticContact CE2-CG 3.63Å; F242-H251 AromaticContact CE2-ND1 3.93Å; F242-H251 HydrophobicContact CZ-CB 3.68Å; F242-H251 AromaticContact CZ-CD2 3.87Å; F242-H251 AromaticContact CZ-CE1 3.75Å; F242-H251 AromaticContact CZ-CG 3.28Å; F242-H251 AromaticContact CZ-ND1 3.2Å; F242-H251 WeakPolarHBondContact CZ-ND1 3.45Å; L247-H251 WeakPolarHBondContact O-CB 3.42Å; L247-H251 PolarHBondContact O-N 2.83Å; H251-K253 PolarHBondContact O-N 3.4Å; H251-L254 HydrophobicContact CB-CD1 4.3Å; H251-L254 WeakPolarHBondContact ND1-CD1 3.45Å; H251-L254 WeakPolarHBondContact O-CB 3.38Å; H251-L254 PolarHBondContact O-N 3.1Å; H251-H255 AromaticContact CD2-NE2 3.69Å; H251-H255 AromaticContact CE1-NE2 3.77Å; H251-H255 AromaticContact NE2-CD2 3.89Å; H251-H255 AromaticContact NE2-CE1 3.99Å; H251-H255 AromaticContact NE2-NE2 2.99Å; H251-H255 PolarHBondContact NE2-NE2 3.04Å
252	A	55.3	Low	51.8	Low	39 Å²	39	78.2 Å²	78.2	32%	0.322	40%	0.402	S	S	.	.	H	α-helix	trans	-59.2	-29.9	179.4	0	0	0	0	0	112.1	L248 I249 E250 L254 H255	L248-A252 VanDerWaalsContact O-CB 3.29Å; L248-A252 WeakPolarHBondContact O-CB 3.45Å; L248-A252 PolarHBondContact O-N 2.94Å; I249-A252 PolarHBondContact O-N 3.36Å; E250-A252 VanDerWaalsContact C-N 3.31Å; E250-A252 PolarHBondContact O-N 3.23Å; A252-L254 VanDerWaalsContact C-N 3.28Å; A252-L254 PolarHBondContact O-N 2.94Å; A252-H255 PolarHBondContact O-N 2.73Å; A252-H255 VanDerWaalsContact O-N 3.16Å
253	K	53.2	Low	51	Low	99 Å²	99	85.4 Å²	85.4	43%	0.43	43%	0.433	S	S	.	.	G	3₁₀ helix	trans	-67.6	-21.9	174.1	-61.3	178.1	176.6	-168.3	0	114	E250 H251 H255 E256 E257	E250-K253 WeakPolarHBondContact O-CB 3.42Å; E250-K253 PolarHBondContact O-N 3.19Å; H251-K253 PolarHBondContact O-N 3.4Å; K253-H255 PolarHBondContact O-N 3.18Å; K253-H255 VanDerWaalsContact O-N 3.1Å; K253-E256 PolarHBondContact O-N 3.23Å; K253-E257 PolarHBondContact O-N 3.42Å
254	L	50.2	Low	50.5	Low	61 Å²	61	87.5 Å²	87.5	32%	0.319	43%	0.426	S	S	.	.	G	3₁₀ helix	trans	-61.8	-15.1	171.3	-67.4	158.9	0	0	0	112.8	H251 A252 P259 V270	H251-L254 HydrophobicContact CB-CD1 4.3Å; H251-L254 WeakPolarHBondContact ND1-CD1 3.45Å; H251-L254 WeakPolarHBondContact O-CB 3.38Å; H251-L254 PolarHBondContact O-N 3.1Å; A252-L254 VanDerWaalsContact C-N 3.28Å; A252-L254 PolarHBondContact O-N 2.94Å; L254-P259 HydrophobicContact CD2-CB 3.96Å; L254-V270 HydrophobicContact CD2-CB 4.31Å; L254-V270 HydrophobicContact CD2-CG1 3.56Å; L254-V270 HydrophobicContact CD2-CG2 4.1Å; L254-V270 HydrophobicContact CG-CG1 3.95Å; L254-V270 HydrophobicContact CG-CG2 4.18Å
255	H	53.7	Low	50.3	Low	84 Å²	84	86.9 Å²	86.9	39%	0.389	42%	0.424	S	S	.	.	G	3₁₀ helix	trans	-100.1	-2.1	175.6	-53.2	-83.4	0	0	0	112.8	V237 H251 A252 K253	V237-H255 WeakPolarHBondContact CG1-ND1 3.32Å; H251-H255 AromaticContact CD2-NE2 3.69Å; H251-H255 AromaticContact CE1-NE2 3.77Å; H251-H255 AromaticContact NE2-CD2 3.89Å; H251-H255 AromaticContact NE2-CE1 3.99Å; H251-H255 AromaticContact NE2-NE2 2.99Å; H251-H255 PolarHBondContact NE2-NE2 3.04Å; A252-H255 PolarHBondContact O-N 2.73Å; A252-H255 VanDerWaalsContact O-N 3.16Å; K253-H255 PolarHBondContact O-N 3.18Å; K253-H255 VanDerWaalsContact O-N 3.1Å
256	E	44.2	Very low	50.1	Low	168 Å²	168	91.5 Å²	91.5	79%	0.785	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.3	-25.3	-176.8	-65.1	-175.7	172.3	0	0	113.4	K253	K253-E256 PolarHBondContact O-N 3.23Å
257	E	44.2	Very low	49.8	Very low	122 Å²	122	90 Å²	90	57%	0.57	44%	0.437	S	S	*	.	S	Bend	trans	-127.9	141.9	179.2	-65.5	179.5	155.5	0	0	111.2	K253 P259	K253-E257 PolarHBondContact O-N 3.42Å; E257-P259 WeakPolarHBondContact O-CD 3.25Å
258	D	42.5	Very low	49.4	Very low	159 Å²	159	92.6 Å²	92.6	85%	0.85	45%	0.446	S	S	*	.	P	Polyproline II helix	trans	-63.5	120.5	179.3	-82.3	-37.1	0	0	0	111.2
259	P	49.7	Very low	49	Very low	42 Å²	42	92 Å²	92	27%	0.273	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-71.6	144.8	-176.9	26.8	-33.6	0	0	0	112.6	L254 E257 I261	L254-P259 HydrophobicContact CD2-CB 3.96Å; E257-P259 WeakPolarHBondContact O-CD 3.25Å; P259-I261 WeakPolarHBondContact O-CG1 3.29Å; P259-I261 PolarHBondContact O-N 3.46Å
260	Y	46.2	Very low	48.2	Very low	121 Å²	121	88.8 Å²	88.8	48%	0.475	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	123.1	169.5	-57.6	-81.6	0	0	0	110	K268 T269 V270 F272	Y260-K268 WeakPolarHBondContact O-CA 3.41Å; Y260-T269 WeakPolarHBondContact CA-O 3.3Å; Y260-T269 WeakPolarHBondContact CB-O 3.25Å; Y260-T269 PolarHBondContact N-O 3.28Å; Y260-T269 PolarHBondContact O-N 2.86Å; Y260-V270 WeakPolarHBondContact CE2-O 3Å; Y260-F272 HydrophobicContact CD1-CD2 4.39Å; Y260-F272 HydrophobicContact CD2-CB 4.3Å; Y260-F272 HydrophobicContact CE2-CB 4.18Å
261	I	40.5	Very low	47.7	Very low	90 Å²	90	88.8 Å²	88.8	46%	0.462	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	131.6	-174	-51.8	-176.4	0	0	0	109.7	P259 K268	P259-I261 WeakPolarHBondContact O-CG1 3.29Å; P259-I261 PolarHBondContact O-N 3.46Å; I261-K268 HydrophobicContact CB-CG 4.31Å; I261-K268 HydrophobicContact CD1-CD 4.24Å; I261-K268 HydrophobicContact CG1-CD 4.07Å; I261-K268 HydrophobicContact CG1-CG 4.01Å; I261-K268 HydrophobicContact CG2-CD 4.44Å; I261-K268 HydrophobicContact CG2-CG 4.03Å
262	C	44.5	Very low	46.6	Very low	6 Å²	6	92.2 Å²	92.2	4%	0.041	44%	0.444	C	S	.	.			trans	-66.4	136.6	169	-171.3	0	0	0	0	110.2	C265 Y267 L275 H278	C262-C265 CarbonylContact C-O 3.58Å; C262-C265 WeakPolarHBondContact CB-O 3.41Å; C262-Y267 WeakPolarHBondContact CB-O 3.4Å; C262-Y267 PolarHBondContact N-O 2.89Å; C262-L275 HydrophobicContact CB-CD1 3.65Å; C262-H278 PolarHBondContact SG-NE2 3.35Å
263	K	42.3	Very low	46	Very low	196 Å²	196	97.3 Å²	97.3	85%	0.852	46%	0.461	S	S	*	.	S	Bend	trans	-89	-9.1	179.6	-68.8	-174.5	176.7	179.4	0	113.6
264	Y	41.7	Very low	45.7	Very low	145 Å²	145	95.9 Å²	95.9	57%	0.569	46%	0.458	S	S	*	.	S	Bend	trans	-108.2	-14.6	-174.8	-52.8	-70.6	0	0	0	112.8	I279 H283 F284	Y264-I279 HydrophobicContact CD2-CG2 4.49Å; Y264-I279 HydrophobicContact CE2-CG2 4.27Å; Y264-H283 WeakPolarHBondContact CB-NE2 3.35Å; Y264-H283 AromaticContact CD2-CD2 3.93Å; Y264-F284 HydrophobicContact CE2-CE2 4.18Å; Y264-F284 HydrophobicContact CE2-CZ 4.47Å
265	C	51.2	Low	45.5	Very low	50 Å²	50	93.6 Å²	93.6	34%	0.338	45%	0.446	S	S	.	.	S	Bend	trans	-157.5	174.8	169.2	71.4	0	0	0	0	110.8	C262 Y267 H278	C262-C265 CarbonylContact C-O 3.58Å; C262-C265 WeakPolarHBondContact CB-O 3.41Å; C265-Y267 PolarHBondContact O-N 2.96Å; C265-H278 PolarHBondContact SG-CE1 3.21Å; C265-H278 PolarHBondContact SG-NE2 3.13Å
266	D	48.2	Very low	45	Very low	155 Å²	155	91.6 Å²	91.6	83%	0.829	44%	0.441	S	S	*	.	S	Bend	trans	-72.8	10.4	-174.6	-61.9	-58.1	0	0	0	115.7
267	Y	46.8	Very low	45.2	Very low	95 Å²	95	88.7 Å²	88.7	37%	0.373	43%	0.428	S	S	.	.			trans	-67.9	137.5	-179	-174.6	-100	0	0	0	112.5	C262 C265 T269 L275 H278	C262-Y267 WeakPolarHBondContact CB-O 3.4Å; C262-Y267 PolarHBondContact N-O 2.89Å; C265-Y267 PolarHBondContact O-N 2.96Å; Y267-T269 HydrophobicContact CD1-CG2 4.45Å; Y267-T269 HydrophobicContact CE1-CG2 3.8Å; Y267-L275 HydrophobicContact CD1-CD1 4.15Å; Y267-H278 WeakPolarHBondContact CB-NE2 3.24Å; Y267-H278 HydrophobicContact CD1-CB 3.89Å; Y267-H278 AromaticContact CD1-CD2 3.33Å; Y267-H278 WeakPolarHBondContact CD1-CD2 3.48Å; Y267-H278 AromaticContact CD1-CG 3.43Å; Y267-H278 VanDerWaalsContact CD1-CG 3.43Å; Y267-H278 AromaticContact CD1-ND1 3.98Å; Y267-H278 AromaticContact CD1-NE2 3.83Å; Y267-H278 HydrophobicContact CE1-CB 3.69Å; Y267-H278 AromaticContact CE1-CG 3.76Å; Y267-H278 AromaticContact CG-CD2 3.8Å; Y267-H278 AromaticContact CG-CE1 3.9Å; Y267-H278 AromaticContact CG-CG 3.87Å; Y267-H278 AromaticContact CG-ND1 3.94Å; Y267-H278 AromaticContact CG-NE2 3.81Å
268	K	48.8	Very low	45.7	Very low	121 Å²	121	84.1 Å²	84.1	53%	0.526	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	143.5	-177.3	-58.2	-177.9	-173.2	176	0	111	Y260 I261	Y260-K268 WeakPolarHBondContact O-CA 3.41Å; I261-K268 HydrophobicContact CB-CG 4.31Å; I261-K268 HydrophobicContact CD1-CD 4.24Å; I261-K268 HydrophobicContact CG1-CD 4.07Å; I261-K268 HydrophobicContact CG1-CG 4.01Å; I261-K268 HydrophobicContact CG2-CD 4.44Å; I261-K268 HydrophobicContact CG2-CG 4.03Å
269	T	49	Very low	45.9	Very low	12 Å²	12	78.5 Å²	78.5	7%	0.074	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	146.3	-179.1	166.4	0	0	0	0	110.9	Y260 Y267 I271 N274 L275	Y260-T269 WeakPolarHBondContact CA-O 3.3Å; Y260-T269 WeakPolarHBondContact CB-O 3.25Å; Y260-T269 PolarHBondContact N-O 3.28Å; Y260-T269 PolarHBondContact O-N 2.86Å; Y267-T269 HydrophobicContact CD1-CG2 4.45Å; Y267-T269 HydrophobicContact CE1-CG2 3.8Å; T269-I271 VanDerWaalsContact C-N 3.32Å; T269-I271 VanDerWaalsContact CG2-O 3.29Å; T269-I271 WeakPolarHBondContact CG2-O 3.18Å; T269-I271 PolarHBondContact OG1-N 3.38Å; T269-I271 PolarHBondContact OG1-O 3.25Å; T269-N274 HydrophobicContact CG2-CB 4.18Å; T269-L275 HydrophobicContact CG2-CB 3.58Å; T269-L275 HydrophobicContact CG2-CD1 4.46Å
270	V	40.2	Very low	45.8	Very low	27 Å²	27	78.5 Å²	78.5	16%	0.164	38%	0.38	C	S	.	.	S	Bend	trans	-79.6	-13.5	170.9	-90.6	0	0	0	0	113.3	E250 L254 Y260	E250-V270 HydrophobicContact CG-CG2 4.39Å; L254-V270 HydrophobicContact CD2-CB 4.31Å; L254-V270 HydrophobicContact CD2-CG1 3.56Å; L254-V270 HydrophobicContact CD2-CG2 4.1Å; L254-V270 HydrophobicContact CG-CG1 3.95Å; L254-V270 HydrophobicContact CG-CG2 4.18Å; Y260-V270 WeakPolarHBondContact CE2-O 3Å
271	I	44.7	Very low	46	Very low	56 Å²	56	77.6 Å²	77.6	29%	0.287	38%	0.383	S	S	.	.			trans	-106.6	119.7	177.1	-58.5	-178	0	0	0	108.9	E250 T269 E273 N274 L275	E250-I271 VanDerWaalsContact OE1-CD1 3.25Å; E250-I271 WeakPolarHBondContact OE1-CD1 3.45Å; T269-I271 VanDerWaalsContact C-N 3.32Å; T269-I271 VanDerWaalsContact CG2-O 3.29Å; T269-I271 WeakPolarHBondContact CG2-O 3.18Å; T269-I271 PolarHBondContact OG1-N 3.38Å; T269-I271 PolarHBondContact OG1-O 3.25Å; I271-E273 VanDerWaalsContact C-N 3.29Å; I271-E273 HydrophobicContact CG2-CB 3.89Å; I271-E273 HydrophobicContact CG2-CG 4.3Å; I271-E273 PolarHBondContact O-N 3.43Å; I271-N274 HydrophobicContact CB-CB 4.45Å; I271-N274 PolarHBondContact O-N 2.95Å; I271-L275 PolarHBondContact O-N 3.4Å
272	F	41.3	Very low	46.2	Very low	89 Å²	89	77.3 Å²	77.3	39%	0.39	39%	0.386	S	S	.	.	H	α-helix	trans	-61.5	-34.4	178.7	175.2	-102.5	0	0	0	112.9	Y260 N274 L275 S276	Y260-F272 HydrophobicContact CD1-CD2 4.39Å; Y260-F272 HydrophobicContact CD2-CB 4.3Å; Y260-F272 HydrophobicContact CE2-CB 4.18Å; F272-N274 VanDerWaalsContact C-N 3.33Å; F272-N274 PolarHBondContact O-N 2.75Å; F272-L275 WeakPolarHBondContact O-CA 3.16Å; F272-L275 WeakPolarHBondContact O-CB 3.46Å; F272-L275 PolarHBondContact O-N 3.29Å; F272-S276 PolarHBondContact O-N 3.09Å
273	E	44	Very low	46.3	Very low	146 Å²	146	79.9 Å²	79.9	68%	0.682	40%	0.397	S	S	*	.	H	α-helix	trans	-59.2	-43.6	176.2	-59.4	165.2	155.6	0	0	111.2	I271 L275 S276 Q277	I271-E273 VanDerWaalsContact C-N 3.29Å; I271-E273 HydrophobicContact CG2-CB 3.89Å; I271-E273 HydrophobicContact CG2-CG 4.3Å; I271-E273 PolarHBondContact O-N 3.43Å; E273-L275 VanDerWaalsContact C-N 3.28Å; E273-L275 PolarHBondContact O-N 3.35Å; E273-S276 PolarHBondContact O-N 2.93Å; E273-Q277 WeakPolarHBondContact O-CB 3.27Å; E273-Q277 PolarHBondContact O-N 2.68Å
274	N	46.7	Very low	46.5	Very low	69 Å²	69	75.4 Å²	75.4	37%	0.369	38%	0.377	S	S	.	.	H	α-helix	trans	-65.6	-30.2	174.8	-66.3	-16.7	0	0	0	112.2	T269 I271 F272 H278	T269-N274 HydrophobicContact CG2-CB 4.18Å; I271-N274 HydrophobicContact CB-CB 4.45Å; I271-N274 PolarHBondContact O-N 2.95Å; F272-N274 VanDerWaalsContact C-N 3.33Å; F272-N274 PolarHBondContact O-N 2.75Å; N274-H278 WeakPolarHBondContact O-CB 3.41Å; N274-H278 PolarHBondContact O-N 2.76Å
275	L	45.2	Very low	46.6	Very low	13 Å²	13	73.1 Å²	73.1	7%	0.068	38%	0.383	C	S	.	.	H	α-helix	trans	-74	-43.1	174.7	-176.6	59.2	0	0	0	111	C262 Y267 T269 I271 F272 E273 Q277 H278 I279	C262-L275 HydrophobicContact CB-CD1 3.65Å; Y267-L275 HydrophobicContact CD1-CD1 4.15Å; T269-L275 HydrophobicContact CG2-CB 3.58Å; T269-L275 HydrophobicContact CG2-CD1 4.46Å; I271-L275 PolarHBondContact O-N 3.4Å; F272-L275 WeakPolarHBondContact O-CA 3.16Å; F272-L275 WeakPolarHBondContact O-CB 3.46Å; F272-L275 PolarHBondContact O-N 3.29Å; E273-L275 VanDerWaalsContact C-N 3.28Å; E273-L275 PolarHBondContact O-N 3.35Å; L275-Q277 VanDerWaalsContact C-N 3.34Å; L275-H278 PolarHBondContact O-N 2.06Å; L275-I279 HydrophobicContact CD1-CD1 3.94Å; L275-I279 HydrophobicContact CD1-CG1 4.18Å; L275-I279 HydrophobicContact CD2-CD1 4.44Å; L275-I279 HydrophobicContact CG-CD1 3.83Å; L275-I279 HydrophobicContact CG-CG1 4.44Å; L275-I279 WeakPolarHBondContact O-CB 3.37Å; L275-I279 VanDerWaalsContact O-CG1 3.27Å; L275-I279 WeakPolarHBondContact O-CG1 3.38Å; L275-I279 PolarHBondContact O-N 2.81Å
276	S	44	Very low	46.6	Very low	42 Å²	42	76.5 Å²	76.5	29%	0.294	40%	0.397	S	S	.	.	H	α-helix	trans	-62.1	-43	177	-169.2	0	0	0	0	111.2	F272 E273 I279 A280	F272-S276 PolarHBondContact O-N 3.09Å; E273-S276 PolarHBondContact O-N 2.93Å; S276-I279 PolarHBondContact O-N 3.33Å; S276-A280 WeakPolarHBondContact O-CB 3.44Å; S276-A280 PolarHBondContact O-N 3.36Å
277	Q	48.3	Very low	46.8	Very low	106 Å²	106	73 Å²	73	50%	0.495	38%	0.376	S	S	.	.	H	α-helix	trans	-67.5	-44.8	177.1	-168.3	64	41.8	0	0	111.3	E273 L275 I279 A280 D281	E273-Q277 WeakPolarHBondContact O-CB 3.27Å; E273-Q277 PolarHBondContact O-N 2.68Å; L275-Q277 VanDerWaalsContact C-N 3.34Å; Q277-I279 PolarHBondContact O-N 2.96Å; Q277-A280 PolarHBondContact O-N 3.05Å; Q277-D281 WeakPolarHBondContact CG-OD2 3.5Å; Q277-D281 PolarHBondContact NE2-OD1 3.03Å; Q277-D281 PolarHBondContact NE2-OD2 2.58Å; Q277-D281 WeakPolarHBondContact O-CB 3.42Å; Q277-D281 VanDerWaalsContact O-CG 3.27Å; Q277-D281 PolarHBondContact O-N 3.39Å
278	H	54.5	Low	47.1	Very low	26 Å²	26	73.3 Å²	73.3	12%	0.12	38%	0.384	C	S	.	.	H	α-helix	trans	-56.9	-47.6	172.9	162.2	67.3	0	0	0	112	C262 C265 Y267 N274 L275 A280 D281 T282 H283	C262-H278 PolarHBondContact SG-NE2 3.35Å; C265-H278 PolarHBondContact SG-CE1 3.21Å; C265-H278 PolarHBondContact SG-NE2 3.13Å; Y267-H278 WeakPolarHBondContact CB-NE2 3.24Å; Y267-H278 HydrophobicContact CD1-CB 3.89Å; Y267-H278 AromaticContact CD1-CD2 3.33Å; Y267-H278 WeakPolarHBondContact CD1-CD2 3.48Å; Y267-H278 AromaticContact CD1-CG 3.43Å; Y267-H278 VanDerWaalsContact CD1-CG 3.43Å; Y267-H278 AromaticContact CD1-ND1 3.98Å; Y267-H278 AromaticContact CD1-NE2 3.83Å; Y267-H278 HydrophobicContact CE1-CB 3.69Å; Y267-H278 AromaticContact CE1-CG 3.76Å; Y267-H278 AromaticContact CG-CD2 3.8Å; Y267-H278 AromaticContact CG-CE1 3.9Å; Y267-H278 AromaticContact CG-CG 3.87Å; Y267-H278 AromaticContact CG-ND1 3.94Å; Y267-H278 AromaticContact CG-NE2 3.81Å; N274-H278 WeakPolarHBondContact O-CB 3.41Å; N274-H278 PolarHBondContact O-N 2.76Å; L275-H278 PolarHBondContact O-N 2.06Å; H278-A280 PolarHBondContact O-N 2.94Å; H278-D281 PolarHBondContact O-N 3.25Å; H278-T282 PolarHBondContact CE1-OG1 3.01Å; H278-T282 PolarHBondContact ND1-OG1 3.14Å; H278-T282 VanDerWaalsContact ND1-OG1 3.16Å; H278-T282 PolarHBondContact O-N 3.18Å; H278-T282 PolarHBondContact O-OG1 3.04Å; H278-H283 AromaticContact CE1-NE2 3.83Å; H278-H283 AromaticContact NE2-CD2 3.99Å; H278-H283 AromaticContact NE2-NE2 3.49Å; H278-H283 PolarHBondContact NE2-NE2 3.4Å
279	I	46.5	Very low	47.2	Very low	41 Å²	41	69.3 Å²	69.3	21%	0.21	37%	0.365	C	S	.	.	H	α-helix	trans	-63.4	-43.2	179.9	-70.1	170.2	0	0	0	111.2	Y264 L275 S276 Q277 H283 F284	Y264-I279 HydrophobicContact CD2-CG2 4.49Å; Y264-I279 HydrophobicContact CE2-CG2 4.27Å; L275-I279 HydrophobicContact CD1-CD1 3.94Å; L275-I279 HydrophobicContact CD1-CG1 4.18Å; L275-I279 HydrophobicContact CD2-CD1 4.44Å; L275-I279 HydrophobicContact CG-CD1 3.83Å; L275-I279 HydrophobicContact CG-CG1 4.44Å; L275-I279 WeakPolarHBondContact O-CB 3.37Å; L275-I279 VanDerWaalsContact O-CG1 3.27Å; L275-I279 WeakPolarHBondContact O-CG1 3.38Å; L275-I279 PolarHBondContact O-N 2.81Å; S276-I279 PolarHBondContact O-N 3.33Å; Q277-I279 PolarHBondContact O-N 2.96Å; I279-H283 WeakPolarHBondContact O-CA 3.18Å; I279-H283 WeakPolarHBondContact O-CB 3.43Å; I279-H283 PolarHBondContact O-N 3.49Å; I279-F284 HydrophobicContact CG2-CD2 3.78Å; I279-F284 HydrophobicContact CG2-CE2 3.66Å; I279-F284 WeakPolarHBondContact O-CD2 3.35Å; I279-F284 PolarHBondContact O-N 3.38Å
280	A	47.7	Very low	47.2	Very low	43 Å²	43	71 Å²	71	36%	0.355	37%	0.37	S	S	.	.	H	α-helix	trans	-59.7	-56.7	174	0	0	0	0	0	111.4	S276 Q277 H278 T282 F284	S276-A280 WeakPolarHBondContact O-CB 3.44Å; S276-A280 PolarHBondContact O-N 3.36Å; Q277-A280 PolarHBondContact O-N 3.05Å; H278-A280 PolarHBondContact O-N 2.94Å; A280-T282 PolarHBondContact O-N 3.29Å; A280-F284 CarbonylContact O-C 3.56Å; A280-F284 VanDerWaalsContact O-C 3.28Å; A280-F284 PolarHBondContact O-N 3.08Å; A280-F284 VanDerWaalsContact O-O 3.11Å
281	D	49.6	Very low	47.6	Very low	102 Å²	102	69.7 Å²	69.7	55%	0.545	36%	0.362	S	S	.	.	H	α-helix	trans	-71.4	-28.3	-170.4	-66.2	-17.5	0	0	0	114.3	Q277 H278	Q277-D281 WeakPolarHBondContact CG-OD2 3.5Å; Q277-D281 PolarHBondContact NE2-OD1 3.03Å; Q277-D281 PolarHBondContact NE2-OD2 2.58Å; Q277-D281 WeakPolarHBondContact O-CB 3.42Å; Q277-D281 VanDerWaalsContact O-CG 3.27Å; Q277-D281 PolarHBondContact O-N 3.39Å; H278-D281 PolarHBondContact O-N 3.25Å
282	T	46.3	Very low	47.5	Very low	84 Å²	84	72.7 Å²	72.7	52%	0.515	38%	0.376	S	S	.	.	H	α-helix	trans	-114.8	-11.1	-175	69.7	0	0	0	0	115.6	H278 A280	H278-T282 PolarHBondContact CE1-OG1 3.01Å; H278-T282 PolarHBondContact ND1-OG1 3.14Å; H278-T282 VanDerWaalsContact ND1-OG1 3.16Å; H278-T282 PolarHBondContact O-N 3.18Å; H278-T282 PolarHBondContact O-OG1 3.04Å; A280-T282 PolarHBondContact O-N 3.29Å
283	H	46.3	Very low	47.5	Very low	60 Å²	60	74 Å²	74	28%	0.278	38%	0.383	S	S	.	.	H	α-helix	trans	-120.3	-18.4	177.9	-60.2	-53.9	0	0	0	114.1	Y264 H278 I279	Y264-H283 WeakPolarHBondContact CB-NE2 3.35Å; Y264-H283 AromaticContact CD2-CD2 3.93Å; H278-H283 AromaticContact CE1-NE2 3.83Å; H278-H283 AromaticContact NE2-CD2 3.99Å; H278-H283 AromaticContact NE2-NE2 3.49Å; H278-H283 PolarHBondContact NE2-NE2 3.4Å; I279-H283 WeakPolarHBondContact O-CA 3.18Å; I279-H283 WeakPolarHBondContact O-CB 3.43Å; I279-H283 PolarHBondContact O-N 3.49Å
284	F	46.3	Very low	47.8	Very low	101 Å²	101	69.4 Å²	69.4	44%	0.443	37%	0.366	S	S	.	.			trans	-137.4	68.2	-176.9	-60.9	-76	0	0	0	111.5	Y264 I279 A280 D286	Y264-F284 HydrophobicContact CE2-CE2 4.18Å; Y264-F284 HydrophobicContact CE2-CZ 4.47Å; I279-F284 HydrophobicContact CG2-CD2 3.78Å; I279-F284 HydrophobicContact CG2-CE2 3.66Å; I279-F284 WeakPolarHBondContact O-CD2 3.35Å; I279-F284 PolarHBondContact O-N 3.38Å; A280-F284 CarbonylContact O-C 3.56Å; A280-F284 VanDerWaalsContact O-C 3.28Å; A280-F284 PolarHBondContact O-N 3.08Å; A280-F284 VanDerWaalsContact O-O 3.11Å; F284-D286 VanDerWaalsContact C-N 3.31Å; F284-D286 PolarHBondContact O-N 2.99Å
285	S	42.5	Very low	47.9	Very low	97 Å²	97	72.2 Å²	72.2	68%	0.678	38%	0.381	S	S	*	.			trans	-69.7	-18.9	-173.7	51.6	0	0	0	0	115.5
286	D	52.7	Low	47.9	Very low	121 Å²	121	74.7 Å²	74.7	65%	0.647	40%	0.396	S	S	*	.	S	Bend	trans	-138.4	112.4	-167.2	-60.5	-83.6	0	0	0	112.3	F284	F284-D286 VanDerWaalsContact C-N 3.31Å; F284-D286 PolarHBondContact O-N 2.99Å
287	H	52.2	Low	48.3	Very low	81 Å²	81	77.5 Å²	77.5	38%	0.375	41%	0.405	S	S	.	.			trans	46.6	103.2	160.1	-50.2	-58	0	0	0	119.9	Q297 F298 S299	H287-Q297 HydrophobicContact CB-CB 4.01Å; H287-F298 WeakPolarHBondContact CA-O 3.41Å; H287-F298 WeakPolarHBondContact CB-O 3.28Å; H287-S299 PolarHBondContact ND1-N 2.92Å
288	L	53	Low	48.6	Very low	103 Å²	103	73.8 Å²	73.8	54%	0.539	39%	0.387	S	S	.	.	S	Bend	trans	-88.5	-8.1	179.6	-67.1	171.9	0	0	0	115.4	F298	L288-F298 PolarHBondContact N-O 3.36Å
289	Y	50.8	Low	48.3	Very low	36 Å²	36	76 Å²	76	14%	0.141	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	140.1	-168.6	-59	-77.1	0	0	0	111.1	Q297 F298 S301 T398 K399	Y289-Q297 CarbonylContact O-C 3.53Å; Y289-Q297 WeakPolarHBondContact O-CA 3.31Å; Y289-F298 PolarHBondContact N-O 3.5Å; Y289-F298 PolarHBondContact O-N 3.33Å; Y289-S301 VanDerWaalsContact CD2-N 3.3Å; Y289-S301 VanDerWaalsContact CE2-N 3.34Å; Y289-T398 PolarHBondContact OH-O 2.93Å; Y289-K399 PolarHBondContact OH-O 3.46Å
290	W	48.6	Very low	48.3	Very low	47 Å²	47	75.6 Å²	75.6	18%	0.178	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	160.2	177.7	71.4	97.7	0	0	0	113.4	V296 Q297 Y351	W290-V296 CarbonylContact C-O 3.28Å; W290-V296 WeakPolarHBondContact CA-O 3.23Å; W290-V296 WeakPolarHBondContact CB-O 3.38Å; W290-Q297 HydrophobicContact CB-CG 4.11Å; W290-Y351 HydrophobicContact CD2-CD1 4.46Å; W290-Y351 AromaticContact CD2-CD2 3.82Å; W290-Y351 HydrophobicContact CD2-CD2 3.82Å; W290-Y351 HydrophobicContact CD2-CE1 4.33Å; W290-Y351 AromaticContact CD2-CE2 3.67Å; W290-Y351 HydrophobicContact CD2-CE2 3.67Å; W290-Y351 HydrophobicContact CD2-CG 4.21Å; W290-Y351 AromaticContact CD2-CZ 3.94Å; W290-Y351 AromaticContact CE2-CD2 3.4Å; W290-Y351 AromaticContact CE2-CE2 3.68Å; W290-Y351 AromaticContact CE2-CG 3.89Å; W290-Y351 AromaticContact CE3-CD1 3.87Å; W290-Y351 HydrophobicContact CE3-CD1 3.87Å; W290-Y351 HydrophobicContact CE3-CD2 4.06Å; W290-Y351 AromaticContact CE3-CE1 3.8Å; W290-Y351 HydrophobicContact CE3-CE1 3.8Å; W290-Y351 AromaticContact CE3-CE2 3.99Å; W290-Y351 HydrophobicContact CE3-CE2 3.99Å; W290-Y351 AromaticContact CE3-CG 3.99Å; W290-Y351 HydrophobicContact CE3-CG 3.99Å; W290-Y351 AromaticContact CE3-CZ 3.85Å; W290-Y351 HydrophobicContact CG-CE2 4.19Å; W290-Y351 AromaticContact CH2-CD1 3.74Å; W290-Y351 HydrophobicContact CH2-CD1 3.74Å; W290-Y351 AromaticContact CH2-CD2 3.74Å; W290-Y351 HydrophobicContact CH2-CD2 3.74Å; W290-Y351 HydrophobicContact CH2-CE1 4.49Å; W290-Y351 HydrophobicContact CH2-CE2 4.49Å; W290-Y351 AromaticContact CH2-CG 3.29Å; W290-Y351 HydrophobicContact CH2-CG 3.29Å; W290-Y351 VanDerWaalsContact CZ2-CB 3.42Å; W290-Y351 HydrophobicContact CZ2-CD1 4.27Å; W290-Y351 AromaticContact CZ2-CD2 3.39Å; W290-Y351 HydrophobicContact CZ2-CD2 3.39Å; W290-Y351 HydrophobicContact CZ2-CE2 4.14Å; W290-Y351 AromaticContact CZ2-CG 3.47Å; W290-Y351 HydrophobicContact CZ2-CG 3.47Å; W290-Y351 VanDerWaalsContact CZ2-CG 3.47Å; W290-Y351 AromaticContact CZ3-CD1 3.47Å; W290-Y351 HydrophobicContact CZ3-CD1 3.47Å; W290-Y351 VanDerWaalsContact CZ3-CD1 3.47Å; W290-Y351 HydrophobicContact CZ3-CD2 4.03Å; W290-Y351 AromaticContact CZ3-CE1 3.88Å; W290-Y351 HydrophobicContact CZ3-CE1 3.88Å; W290-Y351 HydrophobicContact CZ3-CE2 4.39Å; W290-Y351 AromaticContact CZ3-CG 3.54Å; W290-Y351 HydrophobicContact CZ3-CG 3.54Å; W290-Y351 AromaticContact NE1-CD2 3.89Å; W290-Y351 AromaticContact NE1-CE2 3.96Å
291	C	48.1	Very low	48.3	Very low	0 Å²	0	74.4 Å²	74.4	0%	0	40%	0.396	C	S	.	.			trans	-92.8	115.1	-179.5	159.4	0	0	0	0	111.7	Q293 C294 D295 V296 F298 L304 H307 F308	C291-Q293 PolarHBondContact O-N 3.22Å; C291-C294 HydrophobicContact CB-CB 4.48Å; C291-C294 WeakPolarHBondContact CB-SG 3.34Å; C291-C294 PolarHBondContact O-N 3.22Å; C291-C294 WeakPolarHBondContact SG-CB 3.47Å; C291-C294 PolarHBondContact SG-N 3.19Å; C291-C294 CovalentContact SG-SG 2.06Å; C291-C294 PolarHBondContact SG-SG 3.23Å; C291-D295 VanDerWaalsContact O-CA 3.25Å; C291-D295 WeakPolarHBondContact O-CA 3.46Å; C291-D295 PolarHBondContact O-N 3.19Å; C291-V296 PolarHBondContact N-O 3.13Å; C291-F298 HydrophobicContact CB-CE2 4.46Å; C291-L304 HydrophobicContact CB-CD1 4.09Å; C291-H307 PolarHBondContact SG-NE2 2.89Å; C291-F308 HydrophobicContact CB-CE1 4.38Å
292	E	42.1	Very low	48.1	Very low	120 Å²	120	70.4 Å²	70.4	56%	0.561	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-16.8	175.5	-71	-168.4	153.1	0	0	114.2
293	Q	42.9	Very low	48.3	Very low	117 Å²	117	70.3 Å²	70.3	55%	0.547	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-10.9	-179.9	-61.4	-177.1	7.6	0	0	113.1	C291 H311	C291-Q293 PolarHBondContact O-N 3.22Å; Q293-H311 VanDerWaalsContact OE1-CG 3.26Å; Q293-H311 PolarHBondContact OE1-ND1 2.81Å
294	C	49.1	Very low	48.7	Very low	48 Å²	48	68.4 Å²	68.4	32%	0.324	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-159.8	-1.4	-164.5	70.7	0	0	0	0	115.8	C291 V296 H307	C291-C294 HydrophobicContact CB-CB 4.48Å; C291-C294 WeakPolarHBondContact CB-SG 3.34Å; C291-C294 PolarHBondContact O-N 3.22Å; C291-C294 WeakPolarHBondContact SG-CB 3.47Å; C291-C294 PolarHBondContact SG-N 3.19Å; C291-C294 CovalentContact SG-SG 2.06Å; C291-C294 PolarHBondContact SG-SG 3.23Å; C294-V296 HydrophobicContact CB-CG2 4.41Å; C294-V296 PolarHBondContact O-N 3.09Å; C294-V296 VanDerWaalsContact O-N 3.09Å; C294-H307 PolarHBondContact SG-NE2 2.8Å
295	D	48.6	Very low	48.9	Very low	129 Å²	129	65.5 Å²	65.5	69%	0.69	35%	0.347	S	S	*	.			trans	54.6	20.6	178.6	-62.1	-38.7	0	0	0	116.4	C291	C291-D295 VanDerWaalsContact O-CA 3.25Å; C291-D295 WeakPolarHBondContact O-CA 3.46Å; C291-D295 PolarHBondContact O-N 3.19Å
296	V	46.1	Very low	49.4	Very low	64 Å²	64	65 Å²	65	39%	0.388	34%	0.336	S	S	.	.			trans	-76.8	133.2	174.6	-175	0	0	0	0	110.4	W290 C291 C294 F298	W290-V296 CarbonylContact C-O 3.28Å; W290-V296 WeakPolarHBondContact CA-O 3.23Å; W290-V296 WeakPolarHBondContact CB-O 3.38Å; C291-V296 PolarHBondContact N-O 3.13Å; C294-V296 HydrophobicContact CB-CG2 4.41Å; C294-V296 PolarHBondContact O-N 3.09Å; C294-V296 VanDerWaalsContact O-N 3.09Å; V296-F298 HydrophobicContact CB-CE2 3.91Å; V296-F298 HydrophobicContact CB-CZ 3.92Å; V296-F298 HydrophobicContact CG1-CE1 3.98Å; V296-F298 HydrophobicContact CG1-CE2 3.74Å; V296-F298 HydrophobicContact CG1-CZ 3.37Å; V296-F298 VanDerWaalsContact O-CE2 3.3Å; V296-F298 WeakPolarHBondContact O-CE2 3.25Å
297	Q	51.4	Low	49.7	Very low	102 Å²	102	60.1 Å²	60.1	48%	0.477	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	149.9	-179.9	-69	-178.9	-26.2	0	0	112.7	H287 Y289 W290 Y351	H287-Q297 HydrophobicContact CB-CB 4.01Å; Y289-Q297 CarbonylContact O-C 3.53Å; Y289-Q297 WeakPolarHBondContact O-CA 3.31Å; W290-Q297 HydrophobicContact CB-CG 4.11Å; Q297-Y351 PolarHBondContact NE2-OH 3.23Å
298	F	56.3	Low	49.5	Very low	28 Å²	28	60 Å²	60	12%	0.123	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	145.3	-172.8	-60.8	-78.1	0	0	0	112.1	H287 L288 Y289 C291 V296 E303 L304 H307	H287-F298 WeakPolarHBondContact CA-O 3.41Å; H287-F298 WeakPolarHBondContact CB-O 3.28Å; L288-F298 PolarHBondContact N-O 3.36Å; Y289-F298 PolarHBondContact N-O 3.5Å; Y289-F298 PolarHBondContact O-N 3.33Å; C291-F298 HydrophobicContact CB-CE2 4.46Å; V296-F298 HydrophobicContact CB-CE2 3.91Å; V296-F298 HydrophobicContact CB-CZ 3.92Å; V296-F298 HydrophobicContact CG1-CE1 3.98Å; V296-F298 HydrophobicContact CG1-CE2 3.74Å; V296-F298 HydrophobicContact CG1-CZ 3.37Å; V296-F298 VanDerWaalsContact O-CE2 3.3Å; V296-F298 WeakPolarHBondContact O-CE2 3.25Å; F298-E303 HydrophobicContact CB-CB 4.02Å; F298-E303 HydrophobicContact CD1-CB 3.65Å; F298-E303 HydrophobicContact CG-CB 4.14Å; F298-L304 HydrophobicContact CB-CB 4.2Å; F298-L304 HydrophobicContact CD2-CB 3.74Å; F298-L304 HydrophobicContact CD2-CD1 3.63Å; F298-L304 HydrophobicContact CD2-CG 4.28Å; F298-L304 HydrophobicContact CE2-CB 4.41Å; F298-L304 HydrophobicContact CE2-CD1 3.71Å; F298-L304 HydrophobicContact CG-CB 4.07Å; F298-H307 HydrophobicContact CE1-CB 3.87Å; F298-H307 HydrophobicContact CE2-CB 4.02Å; F298-H307 AromaticContact CE2-CD2 3.66Å; F298-H307 AromaticContact CE2-CG 3.87Å; F298-H307 HydrophobicContact CZ-CB 3.36Å; F298-H307 AromaticContact CZ-CD2 3.57Å; F298-H307 AromaticContact CZ-CG 3.3Å
299	S	48.1	Very low	49.4	Very low	72 Å²	72	58.1 Å²	58.1	50%	0.503	30%	0.297	S	S	.	.	S	Bend	trans	-79	-25.3	176.8	15.9	0	0	0	0	112.9	H287 E303	H287-S299 PolarHBondContact ND1-N 2.92Å; S299-E303 WeakPolarHBondContact CA-OE2 3.35Å; S299-E303 WeakPolarHBondContact CB-OE2 3.4Å; S299-E303 PolarHBondContact N-OE2 3.26Å; S299-E303 PolarHBondContact OG-OE2 3.32Å
300	S	46.3	Very low	49.4	Very low	32 Å²	32	63.6 Å²	63.6	22%	0.224	32%	0.324	C	S	.	.	S	Bend	trans	-132	149.9	-179.9	179.1	0	0	0	0	112.5	S302 E303 L304	S300-S302 PolarHBondContact O-N 2.77Å; S300-S302 PolarHBondContact OG-N 2.98Å; S300-S302 PolarHBondContact OG-OG 3.37Å; S300-S302 VanDerWaalsContact OG-OG 3.13Å; S300-E303 PolarHBondContact N-OE2 3.03Å; S300-E303 WeakPolarHBondContact O-CB 3.23Å; S300-E303 PolarHBondContact O-N 2.94Å; S300-E303 VanDerWaalsContact O-N 3.09Å; S300-L304 PolarHBondContact O-N 3.29Å
301	S	47.7	Very low	49.3	Very low	19 Å²	19	64.8 Å²	64.8	13%	0.133	33%	0.331	C	S	.	.	H	α-helix	trans	-61.2	-29.9	171.4	51.7	0	0	0	0	112.2	Y289 E303 Y305	Y289-S301 VanDerWaalsContact CD2-N 3.3Å; Y289-S301 VanDerWaalsContact CE2-N 3.34Å; S301-E303 VanDerWaalsContact C-N 3.34Å; S301-Y305 VanDerWaalsContact O-CB 3.23Å; S301-Y305 WeakPolarHBondContact O-CB 3.43Å; S301-Y305 PolarHBondContact O-N 2.93Å
302	S	44.8	Very low	49.4	Very low	18 Å²	18	67.2 Å²	67.2	13%	0.126	35%	0.348	C	S	.	.	H	α-helix	trans	-63.6	-38.4	172.6	-31.5	0	0	0	0	112.4	S300 Y305 L306 V404	S300-S302 PolarHBondContact O-N 2.77Å; S300-S302 PolarHBondContact OG-N 2.98Å; S300-S302 PolarHBondContact OG-OG 3.37Å; S300-S302 VanDerWaalsContact OG-OG 3.13Å; S302-Y305 PolarHBondContact O-N 3.33Å; S302-L306 WeakPolarHBondContact O-CB 3.19Å; S302-L306 VanDerWaalsContact O-CG 3.31Å; S302-L306 WeakPolarHBondContact O-CG 3.27Å; S302-L306 PolarHBondContact O-N 2.98Å; S302-V404 WeakPolarHBondContact OG-CG1 3.47Å
303	E	50	Low	49.3	Very low	81 Å²	81	67.1 Å²	67.1	38%	0.379	36%	0.36	S	S	.	.	H	α-helix	trans	-72.1	-42	-178.8	-63	169.4	153.7	0	0	110.2	F298 S299 S300 S301 Y305 H307	F298-E303 HydrophobicContact CB-CB 4.02Å; F298-E303 HydrophobicContact CD1-CB 3.65Å; F298-E303 HydrophobicContact CG-CB 4.14Å; S299-E303 WeakPolarHBondContact CA-OE2 3.35Å; S299-E303 WeakPolarHBondContact CB-OE2 3.4Å; S299-E303 PolarHBondContact N-OE2 3.26Å; S299-E303 PolarHBondContact OG-OE2 3.32Å; S300-E303 PolarHBondContact N-OE2 3.03Å; S300-E303 WeakPolarHBondContact O-CB 3.23Å; S300-E303 PolarHBondContact O-N 2.94Å; S300-E303 VanDerWaalsContact O-N 3.09Å; S301-E303 VanDerWaalsContact C-N 3.34Å; E303-Y305 VanDerWaalsContact C-N 3.33Å; E303-Y305 PolarHBondContact O-N 2.84Å; E303-H307 WeakPolarHBondContact O-CB 3.44Å; E303-H307 PolarHBondContact O-N 3.49Å
304	L	54.8	Low	49.5	Very low	20 Å²	20	68.5 Å²	68.5	11%	0.105	37%	0.371	C	S	.	.	H	α-helix	trans	-61.3	-40.9	171.7	175.3	61.6	0	0	0	111.8	C291 F298 S300 H307 F308	C291-L304 HydrophobicContact CB-CD1 4.09Å; F298-L304 HydrophobicContact CB-CB 4.2Å; F298-L304 HydrophobicContact CD2-CB 3.74Å; F298-L304 HydrophobicContact CD2-CD1 3.63Å; F298-L304 HydrophobicContact CD2-CG 4.28Å; F298-L304 HydrophobicContact CE2-CB 4.41Å; F298-L304 HydrophobicContact CE2-CD1 3.71Å; F298-L304 HydrophobicContact CG-CB 4.07Å; S300-L304 PolarHBondContact O-N 3.29Å; L304-H307 CarbonylContact O-C 3.24Å; L304-H307 WeakPolarHBondContact O-CB 3.49Å; L304-H307 PolarHBondContact O-N 3.21Å; L304-F308 HydrophobicContact CD1-CD2 4.21Å; L304-F308 HydrophobicContact CD1-CE1 4.06Å; L304-F308 HydrophobicContact CD1-CE2 3.7Å; L304-F308 HydrophobicContact CD1-CZ 3.61Å; L304-F308 HydrophobicContact CD2-CE2 3.77Å; L304-F308 HydrophobicContact CD2-CZ 4.12Å; L304-F308 HydrophobicContact CG-CD2 3.96Å; L304-F308 HydrophobicContact CG-CE2 3.49Å; L304-F308 VanDerWaalsContact CG-CE2 3.49Å; L304-F308 HydrophobicContact CG-CZ 3.93Å; L304-F308 WeakPolarHBondContact O-CD2 3.48Å; L304-F308 PolarHBondContact O-N 3.49Å
305	Y	49.8	Very low	49.6	Very low	40 Å²	40	75.2 Å²	75.2	16%	0.157	40%	0.397	C	S	.	.	H	α-helix	trans	-67.6	-45.9	178.9	162.7	-97.8	0	0	0	112.9	S301 S302 E303 H307 F308 Q309 P329 E330 H333	S301-Y305 VanDerWaalsContact O-CB 3.23Å; S301-Y305 WeakPolarHBondContact O-CB 3.43Å; S301-Y305 PolarHBondContact O-N 2.93Å; S302-Y305 PolarHBondContact O-N 3.33Å; E303-Y305 VanDerWaalsContact C-N 3.33Å; E303-Y305 PolarHBondContact O-N 2.84Å; Y305-H307 PolarHBondContact O-N 3.19Å; Y305-F308 PolarHBondContact O-N 3.19Å; Y305-Q309 PolarHBondContact O-N 2.71Å; Y305-P329 HydrophobicContact CE2-CB 4.33Å; Y305-P329 WeakPolarHBondContact OH-CB 3.14Å; Y305-P329 PolarHBondContact OH-O 2.89Å; Y305-E330 PolarHBondContact OH-N 3.19Å; Y305-H333 HydrophobicContact CD2-CB 4.29Å; Y305-H333 HydrophobicContact CE2-CB 3.81Å
306	L	53.4	Low	49.7	Very low	86 Å²	86	73.8 Å²	73.8	45%	0.45	39%	0.387	S	S	.	.	H	α-helix	trans	-60	-32.9	172.5	-73.1	172.5	0	0	0	111.6	S302 Q309	S302-L306 WeakPolarHBondContact O-CB 3.19Å; S302-L306 VanDerWaalsContact O-CG 3.31Å; S302-L306 WeakPolarHBondContact O-CG 3.27Å; S302-L306 PolarHBondContact O-N 2.98Å; L306-Q309 WeakPolarHBondContact O-CB 3.34Å; L306-Q309 PolarHBondContact O-N 3.4Å
307	H	59	Low	50.1	Low	20 Å²	20	74 Å²	74	9%	0.093	38%	0.381	C	S	.	.	H	α-helix	trans	-73.8	-33.8	172.9	171.6	66.1	0	0	0	113.2	C291 C294 F298 E303 L304 Y305 Q309 E310 H311	C291-H307 PolarHBondContact SG-NE2 2.89Å; C294-H307 PolarHBondContact SG-NE2 2.8Å; F298-H307 HydrophobicContact CE1-CB 3.87Å; F298-H307 HydrophobicContact CE2-CB 4.02Å; F298-H307 AromaticContact CE2-CD2 3.66Å; F298-H307 AromaticContact CE2-CG 3.87Å; F298-H307 HydrophobicContact CZ-CB 3.36Å; F298-H307 AromaticContact CZ-CD2 3.57Å; F298-H307 AromaticContact CZ-CG 3.3Å; E303-H307 WeakPolarHBondContact O-CB 3.44Å; E303-H307 PolarHBondContact O-N 3.49Å; L304-H307 CarbonylContact O-C 3.24Å; L304-H307 WeakPolarHBondContact O-CB 3.49Å; L304-H307 PolarHBondContact O-N 3.21Å; Y305-H307 PolarHBondContact O-N 3.19Å; H307-Q309 PolarHBondContact O-N 2.88Å; H307-E310 IonicContact CE1-OE2 3.87Å; H307-E310 PolarHBondContact CE1-OE2 3.42Å; H307-E310 IonicContact CG-OE2 2.68Å; H307-E310 IonicContact ND1-OE2 3.9Å; H307-E310 PolarHBondContact ND1-OE2 3.48Å; H307-E310 VanDerWaalsContact O-CB 3.28Å; H307-E310 WeakPolarHBondContact O-CB 3.28Å; H307-E310 PolarHBondContact O-N 3.07Å; H307-H311 AromaticContact CD2-NE2 3.93Å; H307-H311 AromaticContact CE1-NE2 3.37Å; H307-H311 PolarHBondContact CE1-NE2 3.32Å; H307-H311 AromaticContact NE2-CD2 3.78Å; H307-H311 AromaticContact NE2-NE2 2.98Å; H307-H311 PolarHBondContact NE2-NE2 3.38Å
308	F	48.4	Very low	49.9	Very low	77 Å²	77	74.1 Å²	74.1	34%	0.338	38%	0.384	S	S	.	.	H	α-helix	trans	-62.2	-26.6	172.2	-75.7	-42.9	0	0	0	113	C291 L304 Y305 E310 H311	C291-F308 HydrophobicContact CB-CE1 4.38Å; L304-F308 HydrophobicContact CD1-CD2 4.21Å; L304-F308 HydrophobicContact CD1-CE1 4.06Å; L304-F308 HydrophobicContact CD1-CE2 3.7Å; L304-F308 HydrophobicContact CD1-CZ 3.61Å; L304-F308 HydrophobicContact CD2-CE2 3.77Å; L304-F308 HydrophobicContact CD2-CZ 4.12Å; L304-F308 HydrophobicContact CG-CD2 3.96Å; L304-F308 HydrophobicContact CG-CE2 3.49Å; L304-F308 VanDerWaalsContact CG-CE2 3.49Å; L304-F308 HydrophobicContact CG-CZ 3.93Å; L304-F308 WeakPolarHBondContact O-CD2 3.48Å; L304-F308 PolarHBondContact O-N 3.49Å; Y305-F308 PolarHBondContact O-N 3.19Å; F308-E310 PolarHBondContact O-N 2.93Å; F308-H311 PolarHBondContact O-N 3.04Å; F308-H311 VanDerWaalsContact O-N 3.15Å
309	Q	51.1	Low	49.7	Very low	65 Å²	65	73.3 Å²	73.3	30%	0.304	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-19.1	170.9	-59.6	172.6	-3.1	0	0	113.2	Y305 L306 H307 H311 S312	Y305-Q309 PolarHBondContact O-N 2.71Å; L306-Q309 WeakPolarHBondContact O-CB 3.34Å; L306-Q309 PolarHBondContact O-N 3.4Å; H307-Q309 PolarHBondContact O-N 2.88Å; Q309-H311 VanDerWaalsContact C-N 3.29Å; Q309-S312 PolarHBondContact O-OG 3.17Å; Q309-S312 VanDerWaalsContact O-OG 3.08Å
310	E	51.3	Low	49.8	Very low	150 Å²	150	76.2 Å²	76.2	70%	0.701	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-16.3	174.9	-56.2	-174	130.4	0	0	112.8	H307 F308	H307-E310 IonicContact CE1-OE2 3.87Å; H307-E310 PolarHBondContact CE1-OE2 3.42Å; H307-E310 IonicContact CG-OE2 2.68Å; H307-E310 IonicContact ND1-OE2 3.9Å; H307-E310 PolarHBondContact ND1-OE2 3.48Å; H307-E310 VanDerWaalsContact O-CB 3.28Å; H307-E310 WeakPolarHBondContact O-CB 3.28Å; H307-E310 PolarHBondContact O-N 3.07Å; F308-E310 PolarHBondContact O-N 2.93Å
311	H	46.6	Very low	50	Low	72 Å²	72	77.6 Å²	77.6	33%	0.333	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-16.1	177.6	-61.1	-75	0	0	0	113.5	Q293 H307 F308 Q309 C313	Q293-H311 VanDerWaalsContact OE1-CG 3.26Å; Q293-H311 PolarHBondContact OE1-ND1 2.81Å; H307-H311 AromaticContact CD2-NE2 3.93Å; H307-H311 AromaticContact CE1-NE2 3.37Å; H307-H311 PolarHBondContact CE1-NE2 3.32Å; H307-H311 AromaticContact NE2-CD2 3.78Å; H307-H311 AromaticContact NE2-NE2 2.98Å; H307-H311 PolarHBondContact NE2-NE2 3.38Å; F308-H311 PolarHBondContact O-N 3.04Å; F308-H311 VanDerWaalsContact O-N 3.15Å; Q309-H311 VanDerWaalsContact C-N 3.29Å; H311-C313 PolarHBondContact O-N 3.39Å
312	S	48.9	Very low	50.4	Low	51 Å²	51	79.1 Å²	79.1	36%	0.357	40%	0.4	S	S	.	.			trans	-86.1	99.5	178.6	52	0	0	0	0	112	Q309	Q309-S312 PolarHBondContact O-OG 3.17Å; Q309-S312 VanDerWaalsContact O-OG 3.08Å
313	C	40.7	Very low	51	Low	119 Å²	119	87.7 Å²	87.7	80%	0.804	44%	0.438	S	S	*	.			trans	-82.2	116.9	168.9	-82	0	0	0	0	112.2	H311	H311-C313 PolarHBondContact O-N 3.39Å
314	D	46.3	Very low	51	Low	146 Å²	146	87.1 Å²	87.1	78%	0.781	44%	0.435	S	S	*	.	S	Bend	trans	69.9	125.4	158.9	-63.6	-34.2	0	0	0	120.5	Q316	D314-Q316 VanDerWaalsContact C-N 3.31Å; D314-Q316 PolarHBondContact O-N 2.99Å
315	E	52	Low	51.2	Low	188 Å²	188	91.8 Å²	91.8	88%	0.879	46%	0.456	S	S	*	.	S	Bend	trans	60.6	-30.9	163.5	-59	-168.1	154.8	0	0	120.1
316	Q	51.4	Low	51.5	Low	100 Å²	100	90.3 Å²	90.3	47%	0.467	45%	0.451	S	S	.	.			trans	-139.4	136.7	-179.8	-85.2	160.7	15.7	0	0	113.7	D314 N327	D314-Q316 VanDerWaalsContact C-N 3.31Å; D314-Q316 PolarHBondContact O-N 2.99Å; Q316-N327 VanDerWaalsContact CG-OD1 3.25Å; Q316-N327 WeakPolarHBondContact CG-OD1 3.4Å
317	Y	53.6	Low	51.6	Low	68 Å²	68	91.1 Å²	91.1	27%	0.267	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	120.7	172.8	-55.8	-82.2	0	0	0	110	T326 N327 P329	Y317-T326 WeakPolarHBondContact CA-O 3.49Å; Y317-T326 WeakPolarHBondContact CB-O 3.45Å; Y317-T326 WeakPolarHBondContact CD2-O 3.37Å; Y317-T326 PolarHBondContact N-O 3.35Å; Y317-T326 PolarHBondContact O-N 2.8Å; Y317-N327 WeakPolarHBondContact CE2-O 2.99Å; Y317-P329 HydrophobicContact CD1-CB 4.02Å; Y317-P329 HydrophobicContact CD2-CB 4Å; Y317-P329 HydrophobicContact CE1-CB 3.85Å; Y317-P329 HydrophobicContact CE1-CG 4.42Å; Y317-P329 HydrophobicContact CE2-CB 3.85Å; Y317-P329 HydrophobicContact CE2-CG 3.94Å; Y317-P329 HydrophobicContact CG-CB 4.09Å
318	L	47.7	Very low	51.5	Low	105 Å²	105	91.4 Å²	91.4	55%	0.55	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	140.5	-176.4	-56.7	177	0	0	0	111.4	E325 L332	L318-E325 HydrophobicContact CD2-CB 3.77Å; L318-E325 HydrophobicContact CD2-CG 3.49Å; L318-E325 VanDerWaalsContact CD2-CG 3.49Å; L318-E325 WeakPolarHBondContact CD2-OE1 3.4Å; L318-L332 WeakPolarHBondContact O-CD2 3.31Å
319	C	52.2	Low	51.6	Low	11 Å²	11	89 Å²	89	7%	0.074	45%	0.45	C	S	.	.			trans	-73.2	129	171.7	-175.2	0	0	0	0	111.4	F321 C322 H324 L332 H335 H340	C319-F321 PolarHBondContact O-N 2.97Å; C319-F321 PolarHBondContact SG-N 3.36Å; C319-F321 VanDerWaalsContact SG-N 3.4Å; C319-C322 WeakPolarHBondContact CB-O 3.39Å; C319-H324 HydrophobicContact CB-CB 3.98Å; C319-H324 PolarHBondContact N-O 3.41Å; C319-L332 HydrophobicContact CB-CD1 3.77Å; C319-H335 PolarHBondContact SG-NE2 3.47Å; C319-H340 VanDerWaalsContact SG-CD2 3.6Å
320	Q	49	Very low	51.9	Low	132 Å²	132	87 Å²	87	62%	0.617	44%	0.441	S	S	*	.	S	Bend	trans	-68.8	-16	176.2	-164.9	-178.7	1.3	0	0	112.8
321	F	51.7	Low	52.5	Low	61 Å²	61	82 Å²	82	27%	0.268	42%	0.419	S	S	.	.	S	Bend	trans	-110.1	-11.8	-172	-53	-55.8	0	0	0	114.5	C319 V336 H340 K343 L344 L347	C319-F321 PolarHBondContact O-N 2.97Å; C319-F321 PolarHBondContact SG-N 3.36Å; C319-F321 VanDerWaalsContact SG-N 3.4Å; F321-V336 HydrophobicContact CD2-CG1 4.16Å; F321-V336 HydrophobicContact CD2-CG2 4.48Å; F321-V336 HydrophobicContact CE2-CG1 3.85Å; F321-H340 HydrophobicContact CB-CB 4.24Å; F321-H340 WeakPolarHBondContact CB-ND1 3.42Å; F321-H340 HydrophobicContact CD2-CB 3.6Å; F321-H340 AromaticContact CD2-CG 3.8Å; F321-H340 HydrophobicContact CE2-CB 4.31Å; F321-H340 HydrophobicContact CG-CB 4.16Å; F321-K343 HydrophobicContact CD1-CB 4.33Å; F321-K343 HydrophobicContact CD1-CG 3.73Å; F321-K343 HydrophobicContact CE1-CB 4.26Å; F321-K343 HydrophobicContact CE1-CG 3.68Å; F321-K343 HydrophobicContact CG-CG 4.35Å; F321-K343 HydrophobicContact CZ-CB 4.39Å; F321-K343 HydrophobicContact CZ-CG 4.25Å; F321-L344 HydrophobicContact CE2-CD2 3.92Å; F321-L344 HydrophobicContact CZ-CD2 4.21Å; F321-L347 HydrophobicContact CE1-CD1 4.13Å; F321-L347 HydrophobicContact CZ-CD1 3.85Å
322	C	55	Low	53	Low	52 Å²	52	79.8 Å²	79.8	35%	0.351	41%	0.41	S	S	.	.	S	Bend	trans	-160.6	175.3	174.5	72.5	0	0	0	0	111.9	C319 H324 H335 H340	C319-C322 WeakPolarHBondContact CB-O 3.39Å; C322-H324 PolarHBondContact O-N 3.3Å; C322-H324 VanDerWaalsContact SG-CB 3.56Å; C322-H335 VanDerWaalsContact SG-CE1 3.55Å; C322-H335 PolarHBondContact SG-NE2 3.08Å; C322-H340 PolarHBondContact SG-NE2 3.29Å
323	E	57.3	Low	53.6	Low	197 Å²	197	78.9 Å²	78.9	92%	0.921	40%	0.4	S	S	*	.	S	Bend	trans	-75.4	32.8	179.8	-58.8	171.4	-176.2	0	0	113.4
324	H	51	Low	54.5	Low	70 Å²	70	74.2 Å²	74.2	32%	0.324	37%	0.369	S	S	.	.			trans	-88.9	126.9	177.4	-174.5	62.5	0	0	0	111.3	C319 C322 H335	C319-H324 HydrophobicContact CB-CB 3.98Å; C319-H324 PolarHBondContact N-O 3.41Å; C322-H324 PolarHBondContact O-N 3.3Å; C322-H324 VanDerWaalsContact SG-CB 3.56Å; H324-H335 AromaticContact CD2-CD2 3.47Å; H324-H335 PolarHBondContact CD2-CD2 2.9Å; H324-H335 VanDerWaalsContact CD2-CD2 3.47Å; H324-H335 AromaticContact CD2-CE1 3.97Å; H324-H335 AromaticContact CD2-CG 3.35Å; H324-H335 AromaticContact CD2-ND1 3.68Å; H324-H335 AromaticContact CD2-NE2 3.88Å; H324-H335 AromaticContact CG-CD2 3.97Å; H324-H335 AromaticContact CG-CE1 3.82Å; H324-H335 AromaticContact CG-CG 3.98Å; H324-H335 AromaticContact CG-ND1 3.88Å; H324-H335 AromaticContact CG-NE2 3.89Å; H324-H335 AromaticContact NE2-CG 3.96Å
325	E	57.7	Low	55.5	Low	118 Å²	118	68.7 Å²	68.7	55%	0.551	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.5	136.4	-176.6	-38.7	-170.9	138	0	0	109.4	L318	L318-E325 HydrophobicContact CD2-CB 3.77Å; L318-E325 HydrophobicContact CD2-CG 3.49Å; L318-E325 VanDerWaalsContact CD2-CG 3.49Å; L318-E325 WeakPolarHBondContact CD2-OE1 3.4Å
326	T	57.6	Low	55.7	Low	8 Å²	8	60.8 Å²	60.8	5%	0.049	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	151.2	177.4	177.6	0	0	0	0	111.8	Y317 D328 D331 L332	Y317-T326 WeakPolarHBondContact CA-O 3.49Å; Y317-T326 WeakPolarHBondContact CB-O 3.45Å; Y317-T326 WeakPolarHBondContact CD2-O 3.37Å; Y317-T326 PolarHBondContact N-O 3.35Å; Y317-T326 PolarHBondContact O-N 2.8Å; T326-D328 VanDerWaalsContact C-N 3.34Å; T326-D328 WeakPolarHBondContact CG2-O 3.23Å; T326-D328 PolarHBondContact OG1-N 2.89Å; T326-D328 VanDerWaalsContact OG1-N 3.14Å; T326-D328 PolarHBondContact OG1-O 2.68Å; T326-D331 HydrophobicContact CG2-CB 4.32Å; T326-L332 HydrophobicContact CG2-CB 3.59Å; T326-L332 HydrophobicContact CG2-CD1 4.4Å
327	N	55.8	Low	56.1	Low	104 Å²	104	56 Å²	56	56%	0.556	28%	0.28	S	S	*	.	S	Bend	trans	-88.4	-6.2	175.1	-57.8	-8.8	0	0	0	112.2	Q316 Y317	Q316-N327 VanDerWaalsContact CG-OD1 3.25Å; Q316-N327 WeakPolarHBondContact CG-OD1 3.4Å; Y317-N327 WeakPolarHBondContact CE2-O 2.99Å
328	D	55.9	Low	56.5	Low	26 Å²	26	54.2 Å²	54.2	14%	0.139	28%	0.275	C	S	.	.			trans	-114.5	121.1	-179.8	178.7	-9.3	0	0	0	109.3	T326 E330 D331 L332 L466	T326-D328 VanDerWaalsContact C-N 3.34Å; T326-D328 WeakPolarHBondContact CG2-O 3.23Å; T326-D328 PolarHBondContact OG1-N 2.89Å; T326-D328 VanDerWaalsContact OG1-N 3.14Å; T326-D328 PolarHBondContact OG1-O 2.68Å; D328-E330 WeakPolarHBondContact OD1-CB 3.33Å; D328-E330 PolarHBondContact OD1-N 3.34Å; D328-D331 HydrophobicContact CB-CB 4.03Å; D328-D331 WeakPolarHBondContact O-CB 3.19Å; D328-D331 PolarHBondContact O-N 2.88Å; D328-L332 PolarHBondContact O-N 3.04Å; D328-L466 HydrophobicContact CB-CD1 4.36Å; D328-L466 WeakPolarHBondContact OD2-CD1 3.31Å
329	P	50.5	Low	57.2	Low	25 Å²	25	55 Å²	55	16%	0.162	28%	0.276	C	S	.	.	H	α-helix	trans	-76.3	-22.5	-177.2	35.6	-36.8	0	0	0	112.4	Y305 Y317 L332 H333	Y305-P329 HydrophobicContact CE2-CB 4.33Å; Y305-P329 WeakPolarHBondContact OH-CB 3.14Å; Y305-P329 PolarHBondContact OH-O 2.89Å; Y317-P329 HydrophobicContact CD1-CB 4.02Å; Y317-P329 HydrophobicContact CD2-CB 4Å; Y317-P329 HydrophobicContact CE1-CB 3.85Å; Y317-P329 HydrophobicContact CE1-CG 4.42Å; Y317-P329 HydrophobicContact CE2-CB 3.85Å; Y317-P329 HydrophobicContact CE2-CG 3.94Å; Y317-P329 HydrophobicContact CG-CB 4.09Å; P329-L332 PolarHBondContact O-N 3.22Å; P329-H333 WeakPolarHBondContact O-CB 3.38Å; P329-H333 PolarHBondContact O-N 3.3Å
330	E	57.5	Low	57.8	Low	23 Å²	23	56.2 Å²	56.2	11%	0.107	28%	0.28	C	S	.	.	H	α-helix	trans	-67.9	-40.2	171.8	-73.3	-166.1	167.3	0	0	110.7	Y305 D328 L332 H333 S334 Y418 Q434	Y305-E330 PolarHBondContact OH-N 3.19Å; D328-E330 WeakPolarHBondContact OD1-CB 3.33Å; D328-E330 PolarHBondContact OD1-N 3.34Å; E330-L332 VanDerWaalsContact C-N 3.3Å; E330-L332 PolarHBondContact O-N 3.17Å; E330-H333 PolarHBondContact O-N 3.2Å; E330-S334 VanDerWaalsContact O-CB 3.28Å; E330-S334 WeakPolarHBondContact O-CB 3.33Å; E330-S334 PolarHBondContact O-N 2.93Å; E330-Y418 PolarHBondContact OE1-OH 3.34Å; E330-Q434 VanDerWaalsContact CD-NE2 3.27Å; E330-Q434 PolarHBondContact OE1-NE2 2.73Å; E330-Q434 VanDerWaalsContact OE1-NE2 3.08Å; E330-Q434 PolarHBondContact OE2-NE2 3.05Å
331	D	63.4	Low	58.5	Low	45 Å²	45	50 Å²	50	24%	0.241	25%	0.252	C	S	.	.	H	α-helix	trans	-59.6	-41.6	171.9	-90.9	-6.6	0	0	0	110.6	T326 D328 H335	T326-D331 HydrophobicContact CG2-CB 4.32Å; D328-D331 HydrophobicContact CB-CB 4.03Å; D328-D331 WeakPolarHBondContact O-CB 3.19Å; D328-D331 PolarHBondContact O-N 2.88Å; D331-H335 VanDerWaalsContact O-CB 3.28Å; D331-H335 WeakPolarHBondContact O-CB 3.47Å; D331-H335 PolarHBondContact O-N 3.48Å
332	L	58.2	Low	59.1	Low	27 Å²	27	48.7 Å²	48.7	14%	0.141	25%	0.25	C	C	.	.	H	α-helix	trans	-64.4	-46.2	177.7	-177.9	59.4	0	0	0	111.6	L318 C319 T326 D328 P329 E330 H335 V336	L318-L332 WeakPolarHBondContact O-CD2 3.31Å; C319-L332 HydrophobicContact CB-CD1 3.77Å; T326-L332 HydrophobicContact CG2-CB 3.59Å; T326-L332 HydrophobicContact CG2-CD1 4.4Å; D328-L332 PolarHBondContact O-N 3.04Å; P329-L332 PolarHBondContact O-N 3.22Å; E330-L332 VanDerWaalsContact C-N 3.3Å; E330-L332 PolarHBondContact O-N 3.17Å; L332-H335 WeakPolarHBondContact O-CB 3.49Å; L332-H335 PolarHBondContact O-N 3.4Å; L332-V336 HydrophobicContact CD1-CG2 4.17Å; L332-V336 HydrophobicContact CG-CG2 4.42Å; L332-V336 WeakPolarHBondContact O-CB 3.31Å; L332-V336 WeakPolarHBondContact O-CG2 3.34Å; L332-V336 PolarHBondContact O-N 2.83Å
333	H	60.3	Low	59.3	Low	32 Å²	32	50.5 Å²	50.5	15%	0.148	25%	0.252	C	S	.	.	H	α-helix	trans	-62.3	-47.1	178.8	-176.8	60.2	0	0	0	111.2	Y305 P329 E330 H335 V336 V337 F401 P402	Y305-H333 HydrophobicContact CD2-CB 4.29Å; Y305-H333 HydrophobicContact CE2-CB 3.81Å; P329-H333 WeakPolarHBondContact O-CB 3.38Å; P329-H333 PolarHBondContact O-N 3.3Å; E330-H333 PolarHBondContact O-N 3.2Å; H333-H335 VanDerWaalsContact C-N 3.35Å; H333-H335 PolarHBondContact O-N 3.46Å; H333-V336 PolarHBondContact O-N 3.37Å; H333-V337 VanDerWaalsContact O-CG2 3.31Å; H333-V337 WeakPolarHBondContact O-CG2 3.36Å; H333-V337 PolarHBondContact O-N 3.27Å; H333-F401 PolarHBondContact NE2-O 2.99Å; H333-P402 PolarHBondContact CD2-O 3.47Å
334	S	61.3	Low	59.3	Low	21 Å²	21	42.5 Å²	42.5	15%	0.147	22%	0.215	C	C	.	.	H	α-helix	trans	-56.5	-46.4	172.9	176.5	0	0	0	0	111.8	E330 V337 N338 H403	E330-S334 VanDerWaalsContact O-CB 3.28Å; E330-S334 WeakPolarHBondContact O-CB 3.33Å; E330-S334 PolarHBondContact O-N 2.93Å; S334-V337 PolarHBondContact O-N 3.18Å; S334-N338 VanDerWaalsContact O-CB 3.27Å; S334-N338 WeakPolarHBondContact O-CB 3.11Å; S334-N338 VanDerWaalsContact O-CG 3.3Å; S334-N338 PolarHBondContact O-N 3.31Å; S334-N338 PolarHBondContact O-ND2 3.43Å; S334-N338 PolarHBondContact OG-ND2 3.4Å; S334-N338 VanDerWaalsContact OG-ND2 3.14Å; S334-H403 PolarHBondContact OG-CE1 2.9Å
335	H	66.1	Low	59.8	Low	30 Å²	30	39.2 Å²	39.2	14%	0.139	20%	0.2	C	C	.	.	H	α-helix	trans	-58.6	-49.9	175.5	162.8	77.7	0	0	0	111.8	C319 C322 H324 D331 L332 H333 V337 N338 E339 H340	C319-H335 PolarHBondContact SG-NE2 3.47Å; C322-H335 VanDerWaalsContact SG-CE1 3.55Å; C322-H335 PolarHBondContact SG-NE2 3.08Å; H324-H335 AromaticContact CD2-CD2 3.47Å; H324-H335 PolarHBondContact CD2-CD2 2.9Å; H324-H335 VanDerWaalsContact CD2-CD2 3.47Å; H324-H335 AromaticContact CD2-CE1 3.97Å; H324-H335 AromaticContact CD2-CG 3.35Å; H324-H335 AromaticContact CD2-ND1 3.68Å; H324-H335 AromaticContact CD2-NE2 3.88Å; H324-H335 AromaticContact CG-CD2 3.97Å; H324-H335 AromaticContact CG-CE1 3.82Å; H324-H335 AromaticContact CG-CG 3.98Å; H324-H335 AromaticContact CG-ND1 3.88Å; H324-H335 AromaticContact CG-NE2 3.89Å; H324-H335 AromaticContact NE2-CG 3.96Å; D331-H335 VanDerWaalsContact O-CB 3.28Å; D331-H335 WeakPolarHBondContact O-CB 3.47Å; D331-H335 PolarHBondContact O-N 3.48Å; L332-H335 WeakPolarHBondContact O-CB 3.49Å; L332-H335 PolarHBondContact O-N 3.4Å; H333-H335 VanDerWaalsContact C-N 3.35Å; H333-H335 PolarHBondContact O-N 3.46Å; H335-V337 PolarHBondContact O-N 3.45Å; H335-N338 PolarHBondContact O-N 3.29Å; H335-E339 WeakPolarHBondContact O-CB 3.36Å; H335-E339 PolarHBondContact O-N 2.91Å; H335-H340 AromaticContact CE1-NE2 3.81Å; H335-H340 AromaticContact NE2-CD2 3.52Å; H335-H340 AromaticContact NE2-NE2 3.39Å; H335-H340 PolarHBondContact NE2-NE2 3.4Å
336	V	57.3	Low	59.9	Low	21 Å²	21	36.5 Å²	36.5	13%	0.127	19%	0.187	C	C	.	.	H	α-helix	trans	-61.9	-41.2	-179.8	167.1	0	0	0	0	111.8	F321 L332 H333 H340 A341 L344	F321-V336 HydrophobicContact CD2-CG1 4.16Å; F321-V336 HydrophobicContact CD2-CG2 4.48Å; F321-V336 HydrophobicContact CE2-CG1 3.85Å; L332-V336 HydrophobicContact CD1-CG2 4.17Å; L332-V336 HydrophobicContact CG-CG2 4.42Å; L332-V336 WeakPolarHBondContact O-CB 3.31Å; L332-V336 WeakPolarHBondContact O-CG2 3.34Å; L332-V336 PolarHBondContact O-N 2.83Å; H333-V336 PolarHBondContact O-N 3.37Å; V336-H340 CarbonylContact O-C 3.58Å; V336-H340 VanDerWaalsContact O-C 3.24Å; V336-H340 WeakPolarHBondContact O-CA 3.21Å; V336-H340 VanDerWaalsContact O-CB 3.27Å; V336-H340 WeakPolarHBondContact O-CB 3.43Å; V336-H340 PolarHBondContact O-N 2.92Å; V336-A341 PolarHBondContact O-N 3.08Å; V336-L344 HydrophobicContact CG1-CD1 3.93Å; V336-L344 HydrophobicContact CG1-CD2 3.9Å; V336-L344 HydrophobicContact CG1-CG 4.27Å
337	V	59.2	Low	59.8	Low	1 Å²	1	38 Å²	38	1%	0.006	20%	0.195	C	C	.	.	H	α-helix	trans	-76	-30.5	179.1	-176.5	0	0	0	0	112.7	H333 S334 H335 A341 L344 I400 P402	H333-V337 VanDerWaalsContact O-CG2 3.31Å; H333-V337 WeakPolarHBondContact O-CG2 3.36Å; H333-V337 PolarHBondContact O-N 3.27Å; S334-V337 PolarHBondContact O-N 3.18Å; H335-V337 PolarHBondContact O-N 3.45Å; V337-A341 WeakPolarHBondContact O-CB 3.46Å; V337-L344 HydrophobicContact CG2-CD1 4.08Å; V337-I400 HydrophobicContact CB-CG2 4.36Å; V337-I400 HydrophobicContact CG1-CG2 3.91Å; V337-I400 HydrophobicContact CG2-CG2 3.49Å; V337-I400 VanDerWaalsContact CG2-CG2 3.49Å; V337-P402 HydrophobicContact CB-CB 4.33Å; V337-P402 HydrophobicContact CB-CG 4.22Å; V337-P402 HydrophobicContact CG1-CB 4.36Å; V337-P402 HydrophobicContact CG1-CG 3.74Å
338	N	61.4	Low	59.7	Low	29 Å²	29	34.5 Å²	34.5	16%	0.155	18%	0.178	C	C	.	.	H	α-helix	trans	-82	-47.7	179.5	-73.2	-59.1	0	0	0	112.8	S334 H335 R391	S334-N338 VanDerWaalsContact O-CB 3.27Å; S334-N338 WeakPolarHBondContact O-CB 3.11Å; S334-N338 VanDerWaalsContact O-CG 3.3Å; S334-N338 PolarHBondContact O-N 3.31Å; S334-N338 PolarHBondContact O-ND2 3.43Å; S334-N338 PolarHBondContact OG-ND2 3.4Å; S334-N338 VanDerWaalsContact OG-ND2 3.14Å; H335-N338 PolarHBondContact O-N 3.29Å; N338-R391 WeakPolarHBondContact OD1-CD 3.43Å; N338-R391 PolarHBondContact OD1-NH1 2.72Å
339	E	64	Low	59.8	Low	123 Å²	123	33.8 Å²	33.8	58%	0.575	17%	0.174	S	C	*	.	H	α-helix	trans	-91.3	-34.1	-174.8	-62.3	-56.1	124.9	0	0	112.6	H335	H335-E339 WeakPolarHBondContact O-CB 3.36Å; H335-E339 PolarHBondContact O-N 2.91Å
340	H	63.3	Low	59.9	Low	35 Å²	35	39.2 Å²	39.2	16%	0.162	20%	0.196	C	C	.	.	S	Bend	trans	-108.8	17	-175.1	-58.3	-66.8	0	0	0	114.3	C319 F321 C322 H335 V336 C342 K343 L344	C319-H340 VanDerWaalsContact SG-CD2 3.6Å; F321-H340 HydrophobicContact CB-CB 4.24Å; F321-H340 WeakPolarHBondContact CB-ND1 3.42Å; F321-H340 HydrophobicContact CD2-CB 3.6Å; F321-H340 AromaticContact CD2-CG 3.8Å; F321-H340 HydrophobicContact CE2-CB 4.31Å; F321-H340 HydrophobicContact CG-CB 4.16Å; C322-H340 PolarHBondContact SG-NE2 3.29Å; H335-H340 AromaticContact CE1-NE2 3.81Å; H335-H340 AromaticContact NE2-CD2 3.52Å; H335-H340 AromaticContact NE2-NE2 3.39Å; H335-H340 PolarHBondContact NE2-NE2 3.4Å; V336-H340 CarbonylContact O-C 3.58Å; V336-H340 VanDerWaalsContact O-C 3.24Å; V336-H340 WeakPolarHBondContact O-CA 3.21Å; V336-H340 VanDerWaalsContact O-CB 3.27Å; V336-H340 WeakPolarHBondContact O-CB 3.43Å; V336-H340 PolarHBondContact O-N 2.92Å; H340-C342 PolarHBondContact O-N 3.44Å; H340-C342 VanDerWaalsContact O-N 3.09Å; H340-K343 HydrophobicContact CB-CB 4.38Å; H340-K343 WeakPolarHBondContact O-CA 3.28Å; H340-K343 WeakPolarHBondContact O-CB 3.46Å; H340-K343 PolarHBondContact O-N 2.8Å; H340-L344 PolarHBondContact O-N 3.26Å
341	A	64.6	Low	59.5	Low	2 Å²	2	43.1 Å²	43.1	2%	0.017	21%	0.21	C	C	.	.	H	α-helix	trans	-43.7	-44.4	174.3	0	0	0	0	0	113.9	V336 V337 K343 L344 I345 N390 A394	V336-A341 PolarHBondContact O-N 3.08Å; V337-A341 WeakPolarHBondContact O-CB 3.46Å; A341-K343 VanDerWaalsContact C-N 3.28Å; A341-K343 PolarHBondContact O-N 3.49Å; A341-L344 PolarHBondContact O-N 3.39Å; A341-I345 WeakPolarHBondContact O-CD1 3.42Å; A341-I345 VanDerWaalsContact O-CG1 3.28Å; A341-I345 WeakPolarHBondContact O-CG1 3.45Å; A341-I345 PolarHBondContact O-N 3.47Å; A341-N390 HydrophobicContact CB-CB 3.87Å; A341-A394 HydrophobicContact CB-CB 4.13Å
342	C	63.7	Low	58.7	Low	34 Å²	34	45.6 Å²	45.6	23%	0.23	22%	0.223	C	C	.	.	H	α-helix	trans	-56.5	-42.3	176.5	-58.6	0	0	0	0	112.3	H340 I345 E346 L362 N390	H340-C342 PolarHBondContact O-N 3.44Å; H340-C342 VanDerWaalsContact O-N 3.09Å; C342-I345 PolarHBondContact O-N 2.92Å; C342-E346 WeakPolarHBondContact O-CG 3.4Å; C342-E346 PolarHBondContact O-N 3.31Å; C342-L362 HydrophobicContact CB-CD1 4.41Å; C342-N390 PolarHBondContact SG-ND2 3.23Å
343	K	59.6	Low	58.3	Low	89 Å²	89	47.7 Å²	47.7	39%	0.387	24%	0.235	S	C	.	.	H	α-helix	trans	-71	-37.6	-176	-145.3	72.7	-166.1	158.7	0	111.5	F321 H340 A341 E346 L347	F321-K343 HydrophobicContact CD1-CB 4.33Å; F321-K343 HydrophobicContact CD1-CG 3.73Å; F321-K343 HydrophobicContact CE1-CB 4.26Å; F321-K343 HydrophobicContact CE1-CG 3.68Å; F321-K343 HydrophobicContact CG-CG 4.35Å; F321-K343 HydrophobicContact CZ-CB 4.39Å; F321-K343 HydrophobicContact CZ-CG 4.25Å; H340-K343 HydrophobicContact CB-CB 4.38Å; H340-K343 WeakPolarHBondContact O-CA 3.28Å; H340-K343 WeakPolarHBondContact O-CB 3.46Å; H340-K343 PolarHBondContact O-N 2.8Å; A341-K343 VanDerWaalsContact C-N 3.28Å; A341-K343 PolarHBondContact O-N 3.49Å; K343-E346 WeakPolarHBondContact CE-OE2 3.27Å; K343-E346 IonicContact NZ-OE2 3.77Å; K343-E346 PolarHBondContact NZ-OE2 3.2Å; K343-E346 PolarHBondContact O-N 3.05Å; K343-L347 VanDerWaalsContact O-CG 3.27Å; K343-L347 WeakPolarHBondContact O-CG 3.44Å; K343-L347 PolarHBondContact O-N 2.73Å
344	L	58.1	Low	57.6	Low	30 Å²	30	49.3 Å²	49.3	16%	0.157	26%	0.26	C	S	.	.	H	α-helix	trans	-64.8	-41.5	172.8	-56.2	176.5	0	0	0	111.5	F321 V336 V337 H340 A341 L347 S348 I400	F321-L344 HydrophobicContact CE2-CD2 3.92Å; F321-L344 HydrophobicContact CZ-CD2 4.21Å; V336-L344 HydrophobicContact CG1-CD1 3.93Å; V336-L344 HydrophobicContact CG1-CD2 3.9Å; V336-L344 HydrophobicContact CG1-CG 4.27Å; V337-L344 HydrophobicContact CG2-CD1 4.08Å; H340-L344 PolarHBondContact O-N 3.26Å; A341-L344 PolarHBondContact O-N 3.39Å; L344-L347 PolarHBondContact O-N 3.15Å; L344-S348 WeakPolarHBondContact O-CB 3.35Å; L344-S348 PolarHBondContact O-N 3Å; L344-I400 HydrophobicContact CB-CD1 3.83Å; L344-I400 HydrophobicContact CD1-CD1 4.35Å; L344-I400 HydrophobicContact CD1-CG2 3.91Å
345	I	60	Low	57	Low	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-64.3	-43.1	174.2	-65.4	160.5	0	0	0	110.7	A341 C342 L347 S348 D349 L361 L362 N390 V393 A394	A341-I345 WeakPolarHBondContact O-CD1 3.42Å; A341-I345 VanDerWaalsContact O-CG1 3.28Å; A341-I345 WeakPolarHBondContact O-CG1 3.45Å; A341-I345 PolarHBondContact O-N 3.47Å; C342-I345 PolarHBondContact O-N 2.92Å; I345-L347 PolarHBondContact O-N 2.81Å; I345-S348 PolarHBondContact O-N 3.49Å; I345-D349 WeakPolarHBondContact O-CB 3.28Å; I345-D349 VanDerWaalsContact O-CG 3.29Å; I345-D349 PolarHBondContact O-N 3.19Å; I345-L361 HydrophobicContact CG2-CB 3.81Å; I345-L362 HydrophobicContact CG2-CB 4.24Å; I345-L362 HydrophobicContact CG2-CD1 4.38Å; I345-N390 WeakPolarHBondContact CD1-O 3.31Å; I345-V393 HydrophobicContact CD1-CB 3.85Å; I345-V393 HydrophobicContact CD1-CG1 3.6Å; I345-V393 HydrophobicContact CG1-CG1 4.15Å; I345-A394 HydrophobicContact CD1-CB 4.44Å
346	E	59.8	Low	55.8	Low	62 Å²	62	63.5 Å²	63.5	29%	0.29	32%	0.323	S	S	.	.	H	α-helix	trans	-61.6	-40	175.6	-77.2	175.4	-163.2	0	0	113.2	C342 K343 K350 L362	C342-E346 WeakPolarHBondContact O-CG 3.4Å; C342-E346 PolarHBondContact O-N 3.31Å; K343-E346 WeakPolarHBondContact CE-OE2 3.27Å; K343-E346 IonicContact NZ-OE2 3.77Å; K343-E346 PolarHBondContact NZ-OE2 3.2Å; K343-E346 PolarHBondContact O-N 3.05Å; E346-K350 WeakPolarHBondContact O-CB 3.27Å; E346-K350 VanDerWaalsContact O-CG 3.27Å; E346-K350 WeakPolarHBondContact O-CG 3.28Å; E346-K350 PolarHBondContact O-N 3.09Å; E346-L362 HydrophobicContact CG-CD2 4.28Å
347	L	56.1	Low	55.2	Low	40 Å²	40	65.3 Å²	65.3	21%	0.209	35%	0.347	C	S	.	.	H	α-helix	trans	-68.8	-42.7	177.4	-70.8	166.4	0	0	0	111.2	F321 K343 L344 I345 K350 Y351	F321-L347 HydrophobicContact CE1-CD1 4.13Å; F321-L347 HydrophobicContact CZ-CD1 3.85Å; K343-L347 VanDerWaalsContact O-CG 3.27Å; K343-L347 WeakPolarHBondContact O-CG 3.44Å; K343-L347 PolarHBondContact O-N 2.73Å; L344-L347 PolarHBondContact O-N 3.15Å; I345-L347 PolarHBondContact O-N 2.81Å; L347-K350 PolarHBondContact O-N 2.85Å; L347-Y351 PolarHBondContact O-N 3.34Å
348	S	53.5	Low	54.7	Low	29 Å²	29	74 Å²	74	20%	0.203	39%	0.387	C	S	.	.	H	α-helix	trans	-59.6	-49.7	171.9	179.9	0	0	0	0	111.9	L344 I345 K350 Y351 N352	L344-S348 WeakPolarHBondContact O-CB 3.35Å; L344-S348 PolarHBondContact O-N 3Å; I345-S348 PolarHBondContact O-N 3.49Å; S348-K350 VanDerWaalsContact C-N 3.3Å; S348-K350 PolarHBondContact O-N 3.24Å; S348-Y351 PolarHBondContact O-N 3.39Å; S348-N352 PolarHBondContact O-N 2.97Å; S348-N352 PolarHBondContact O-ND2 3.44Å; S348-N352 PolarHBondContact OG-ND2 3.22Å
349	D	58	Low	54.1	Low	11 Å²	11	78.2 Å²	78.2	6%	0.059	40%	0.402	C	S	.	.	H	α-helix	trans	-58.7	-40.7	178.1	-77.1	-12.6	0	0	0	111	I345 Y351 N352 N353 S360 L361	I345-D349 WeakPolarHBondContact O-CB 3.28Å; I345-D349 VanDerWaalsContact O-CG 3.29Å; I345-D349 PolarHBondContact O-N 3.19Å; D349-Y351 PolarHBondContact O-N 2.81Å; D349-N352 PolarHBondContact O-N 2.96Å; D349-N353 PolarHBondContact O-N 3.16Å; D349-N353 VanDerWaalsContact O-N 3.1Å; D349-N353 PolarHBondContact O-ND2 3.34Å; D349-S360 WeakPolarHBondContact OD2-CA 3.44Å; D349-S360 VanDerWaalsContact OD2-CB 3.24Å; D349-S360 WeakPolarHBondContact OD2-CB 3.3Å; D349-S360 PolarHBondContact OD2-OG 2.97Å; D349-L361 PolarHBondContact OD1-N 2.81Å; D349-L361 PolarHBondContact OD2-N 2.9Å; D349-L361 VanDerWaalsContact OD2-N 3.08Å
350	K	53.6	Low	53.9	Low	140 Å²	140	73.8 Å²	73.8	61%	0.609	38%	0.384	S	S	*	.	H	α-helix	trans	-61.4	-39.9	-179.2	-82.8	173	-179.6	-179.1	0	114.1	E346 L347 S348	E346-K350 WeakPolarHBondContact O-CB 3.27Å; E346-K350 VanDerWaalsContact O-CG 3.27Å; E346-K350 WeakPolarHBondContact O-CG 3.28Å; E346-K350 PolarHBondContact O-N 3.09Å; L347-K350 PolarHBondContact O-N 2.85Å; S348-K350 VanDerWaalsContact C-N 3.3Å; S348-K350 PolarHBondContact O-N 3.24Å
351	Y	47.7	Very low	53.8	Low	104 Å²	104	72.9 Å²	72.9	41%	0.408	38%	0.381	S	S	.	.	H	α-helix	trans	-72.7	-44.4	179	-169.8	-102.7	0	0	0	111.7	W290 Q297 L347 S348 D349 N353 G354	W290-Y351 HydrophobicContact CD2-CD1 4.46Å; W290-Y351 AromaticContact CD2-CD2 3.82Å; W290-Y351 HydrophobicContact CD2-CD2 3.82Å; W290-Y351 HydrophobicContact CD2-CE1 4.33Å; W290-Y351 AromaticContact CD2-CE2 3.67Å; W290-Y351 HydrophobicContact CD2-CE2 3.67Å; W290-Y351 HydrophobicContact CD2-CG 4.21Å; W290-Y351 AromaticContact CD2-CZ 3.94Å; W290-Y351 AromaticContact CE2-CD2 3.4Å; W290-Y351 AromaticContact CE2-CE2 3.68Å; W290-Y351 AromaticContact CE2-CG 3.89Å; W290-Y351 AromaticContact CE3-CD1 3.87Å; W290-Y351 HydrophobicContact CE3-CD1 3.87Å; W290-Y351 HydrophobicContact CE3-CD2 4.06Å; W290-Y351 AromaticContact CE3-CE1 3.8Å; W290-Y351 HydrophobicContact CE3-CE1 3.8Å; W290-Y351 AromaticContact CE3-CE2 3.99Å; W290-Y351 HydrophobicContact CE3-CE2 3.99Å; W290-Y351 AromaticContact CE3-CG 3.99Å; W290-Y351 HydrophobicContact CE3-CG 3.99Å; W290-Y351 AromaticContact CE3-CZ 3.85Å; W290-Y351 HydrophobicContact CG-CE2 4.19Å; W290-Y351 AromaticContact CH2-CD1 3.74Å; W290-Y351 HydrophobicContact CH2-CD1 3.74Å; W290-Y351 AromaticContact CH2-CD2 3.74Å; W290-Y351 HydrophobicContact CH2-CD2 3.74Å; W290-Y351 HydrophobicContact CH2-CE1 4.49Å; W290-Y351 HydrophobicContact CH2-CE2 4.49Å; W290-Y351 AromaticContact CH2-CG 3.29Å; W290-Y351 HydrophobicContact CH2-CG 3.29Å; W290-Y351 VanDerWaalsContact CZ2-CB 3.42Å; W290-Y351 HydrophobicContact CZ2-CD1 4.27Å; W290-Y351 AromaticContact CZ2-CD2 3.39Å; W290-Y351 HydrophobicContact CZ2-CD2 3.39Å; W290-Y351 HydrophobicContact CZ2-CE2 4.14Å; W290-Y351 AromaticContact CZ2-CG 3.47Å; W290-Y351 HydrophobicContact CZ2-CG 3.47Å; W290-Y351 VanDerWaalsContact CZ2-CG 3.47Å; W290-Y351 AromaticContact CZ3-CD1 3.47Å; W290-Y351 HydrophobicContact CZ3-CD1 3.47Å; W290-Y351 VanDerWaalsContact CZ3-CD1 3.47Å; W290-Y351 HydrophobicContact CZ3-CD2 4.03Å; W290-Y351 AromaticContact CZ3-CE1 3.88Å; W290-Y351 HydrophobicContact CZ3-CE1 3.88Å; W290-Y351 HydrophobicContact CZ3-CE2 4.39Å; W290-Y351 AromaticContact CZ3-CG 3.54Å; W290-Y351 HydrophobicContact CZ3-CG 3.54Å; W290-Y351 AromaticContact NE1-CD2 3.89Å; W290-Y351 AromaticContact NE1-CE2 3.96Å; Q297-Y351 PolarHBondContact NE2-OH 3.23Å; L347-Y351 PolarHBondContact O-N 3.34Å; S348-Y351 PolarHBondContact O-N 3.39Å; D349-Y351 PolarHBondContact O-N 2.81Å; Y351-N353 PolarHBondContact O-N 2.74Å; Y351-G354 PolarHBondContact O-N 3.31Å
352	N	48.1	Very low	53.6	Low	98 Å²	98	75 Å²	75	52%	0.524	39%	0.392	S	S	.	.	H	α-helix	trans	-63	-23.4	177.5	-71.8	-58.7	0	0	0	113.3	S348 D349 G354	S348-N352 PolarHBondContact O-N 2.97Å; S348-N352 PolarHBondContact O-ND2 3.44Å; S348-N352 PolarHBondContact OG-ND2 3.22Å; D349-N352 PolarHBondContact O-N 2.96Å; N352-G354 PolarHBondContact O-N 3.12Å
353	N	49.6	Very low	53.4	Low	71 Å²	71	77.3 Å²	77.3	38%	0.38	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-0.2	173.8	-82.3	-61.3	0	0	0	114.4	D349 Y351 Q358	D349-N353 PolarHBondContact O-N 3.16Å; D349-N353 VanDerWaalsContact O-N 3.1Å; D349-N353 PolarHBondContact O-ND2 3.34Å; Y351-N353 PolarHBondContact O-N 2.74Å; N353-Q358 PolarHBondContact OD1-N 3.17Å; N353-Q358 VanDerWaalsContact OD1-N 3.08Å
354	G	45.1	Very low	53.7	Low	65 Å²	65	75.7 Å²	75.7	67%	0.67	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-34.6	179	0	0	0	0	0	115.3	Y351 N352	Y351-G354 PolarHBondContact O-N 3.31Å; N352-G354 PolarHBondContact O-N 3.12Å
355	E	47.9	Very low	54.3	Low	176 Å²	176	75.3 Å²	75.3	82%	0.822	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.8	-34.6	-172.4	-62.2	-161.2	142.1	0	0	115.4
356	H	42.1	Very low	54.8	Low	173 Å²	173	77.8 Å²	77.8	80%	0.801	41%	0.414	S	S	*	.	S	Bend	trans	-142.2	79.3	-178.2	-73.3	-62.5	0	0	0	115.5
357	G	44.7	Very low	55.4	Low	60 Å²	60	78.9 Å²	78.9	62%	0.619	42%	0.418	S	S	*	.			trans	57.3	98.9	141.5	0	0	0	0	0	120.9	Y359	G357-Y359 PolarHBondContact O-N 2.83Å
358	Q	47.3	Very low	56.3	Low	183 Å²	183	79 Å²	79	86%	0.855	42%	0.419	S	S	*	.			trans	55.1	18.9	148.8	-65	-170.2	-13.6	0	0	118.2	N353 S360	N353-Q358 PolarHBondContact OD1-N 3.17Å; N353-Q358 VanDerWaalsContact OD1-N 3.08Å; Q358-S360 PolarHBondContact O-N 3.33Å
359	Y	50.2	Low	57	Low	117 Å²	117	86.3 Å²	86.3	46%	0.459	45%	0.447	S	S	.	.			trans	-83	92.5	171.3	-165.9	-82.5	0	0	0	110.1	G357 L361 K364	G357-Y359 PolarHBondContact O-N 2.83Å; Y359-L361 HydrophobicContact CE1-CD2 3.7Å; Y359-L361 HydrophobicContact CE1-CG 3.97Å; Y359-K364 VanDerWaalsContact CE2-CE 3.5Å; Y359-K364 PolarHBondContact OH-NZ 2.92Å
360	S	58.4	Low	57.3	Low	30 Å²	30	91.7 Å²	91.7	21%	0.21	48%	0.484	C	S	.	.			trans	-93.7	128.9	166.9	174.3	0	0	0	0	110.3	D349 Q358 L362 S363	D349-S360 WeakPolarHBondContact OD2-CA 3.44Å; D349-S360 VanDerWaalsContact OD2-CB 3.24Å; D349-S360 WeakPolarHBondContact OD2-CB 3.3Å; D349-S360 PolarHBondContact OD2-OG 2.97Å; Q358-S360 PolarHBondContact O-N 3.33Å; S360-L362 VanDerWaalsContact C-N 3.26Å; S360-L362 PolarHBondContact OG-N 3.31Å; S360-S363 PolarHBondContact O-OG 2.61Å; S360-S363 PolarHBondContact OG-N 3.47Å
361	L	61.4	Low	57.9	Low	17 Å²	17	91.1 Å²	91.1	9%	0.089	48%	0.481	C	S	.	.	S	Bend	trans	-69.2	-29.1	170.4	-79.2	170.9	0	0	0	111.6	I345 D349 Y359 K364 V378 V393 H397 T398	I345-L361 HydrophobicContact CG2-CB 3.81Å; D349-L361 PolarHBondContact OD1-N 2.81Å; D349-L361 PolarHBondContact OD2-N 2.9Å; D349-L361 VanDerWaalsContact OD2-N 3.08Å; Y359-L361 HydrophobicContact CE1-CD2 3.7Å; Y359-L361 HydrophobicContact CE1-CG 3.97Å; L361-K364 PolarHBondContact O-N 2.85Å; L361-V378 HydrophobicContact CD2-CG2 3.93Å; L361-V393 HydrophobicContact CB-CG1 3.91Å; L361-V393 HydrophobicContact CD1-CG1 4.34Å; L361-H397 HydrophobicContact CD1-CB 4.09Å; L361-H397 HydrophobicContact CD2-CB 4.09Å; L361-T398 HydrophobicContact CD1-CG2 3.49Å; L361-T398 VanDerWaalsContact CD1-CG2 3.49Å
362	L	60.5	Low	59	Low	47 Å²	47	91 Å²	91	25%	0.246	49%	0.488	C	S	.	.	G	3₁₀ helix	trans	-68.8	-37.9	177.2	-154.5	76.1	0	0	0	112.1	C342 I345 E346 S360 K364 I365	C342-L362 HydrophobicContact CB-CD1 4.41Å; I345-L362 HydrophobicContact CG2-CB 4.24Å; I345-L362 HydrophobicContact CG2-CD1 4.38Å; E346-L362 HydrophobicContact CG-CD2 4.28Å; S360-L362 VanDerWaalsContact C-N 3.26Å; S360-L362 PolarHBondContact OG-N 3.31Å; L362-K364 PolarHBondContact O-N 3Å; L362-K364 VanDerWaalsContact O-N 3.14Å; L362-I365 HydrophobicContact CD1-CD1 4.24Å; L362-I365 PolarHBondContact O-N 2.96Å
363	S	59.7	Low	60.1	Low	82 Å²	82	88.8 Å²	88.8	57%	0.573	47%	0.474	S	S	*	.	G	3₁₀ helix	trans	-67.5	-11.5	176.4	73.9	0	0	0	0	113.9	S360	S360-S363 PolarHBondContact O-OG 2.61Å; S360-S363 PolarHBondContact OG-N 3.47Å
364	K	66.1	Low	61.1	Low	55 Å²	55	87.6 Å²	87.6	24%	0.239	47%	0.465	C	S	.	.	G	3₁₀ helix	trans	-90.1	0.3	173.2	-64.1	-170.6	173.2	-158	0	113.8	Y359 L361 L362 Q377 V378	Y359-K364 VanDerWaalsContact CE2-CE 3.5Å; Y359-K364 PolarHBondContact OH-NZ 2.92Å; L361-K364 PolarHBondContact O-N 2.85Å; L362-K364 PolarHBondContact O-N 3Å; L362-K364 VanDerWaalsContact O-N 3.14Å; K364-Q377 HydrophobicContact CB-CB 4.27Å; K364-Q377 WeakPolarHBondContact O-CB 3.44Å; K364-Q377 WeakPolarHBondContact O-CG 3.5Å; K364-Q377 PolarHBondContact O-N 2.86Å; K364-V378 HydrophobicContact CB-CG2 4.11Å; K364-V378 HydrophobicContact CD-CG2 3.5Å; K364-V378 HydrophobicContact CG-CG2 4.46Å
365	I	70.8	Confident	62.1	Low	22 Å²	22	85.5 Å²	85.5	11%	0.113	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	115.8	170.6	-58.5	178.5	0	0	0	107.7	L362 V389 N390 V393	L362-I365 HydrophobicContact CD1-CD1 4.24Å; L362-I365 PolarHBondContact O-N 2.96Å; I365-V389 HydrophobicContact CD1-CG1 4.09Å; I365-V389 HydrophobicContact CG1-CG1 4.06Å; I365-V389 HydrophobicContact CG2-CB 4.4Å; I365-V389 HydrophobicContact CG2-CG1 3.89Å; I365-N390 WeakPolarHBondContact CD1-OD1 3.39Å; I365-V393 HydrophobicContact CD1-CB 4.5Å; I365-V393 HydrophobicContact CD1-CG2 3.88Å; I365-V393 HydrophobicContact CG1-CG2 4.09Å
366	T	70.7	Confident	63.3	Low	51 Å²	51	77.1 Å²	77.1	31%	0.313	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	143.9	-177.9	52.6	0	0	0	0	111.7	F374 V375 Q377	T366-F374 CarbonylContact O-C 3.51Å; T366-F374 WeakPolarHBondContact O-CA 3.49Å; T366-V375 PolarHBondContact N-O 3.27Å; T366-V375 PolarHBondContact O-N 3.17Å; T366-Q377 HydrophobicContact CG2-CG 4.31Å; T366-Q377 PolarHBondContact OG1-NE2 3.45Å
367	F	73	Confident	64.4	Low	85 Å²	85	74.9 Å²	74.9	37%	0.373	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	115.3	-179.2	178.9	-103.8	0	0	0	111	K369 N372 F374	F367-K369 HydrophobicContact CD1-CG 3.77Å; F367-K369 HydrophobicContact CE1-CB 4.4Å; F367-K369 HydrophobicContact CE1-CG 3.93Å; F367-K369 PolarHBondContact O-N 3.07Å; F367-K369 VanDerWaalsContact O-N 3.17Å; F367-N372 WeakPolarHBondContact CE2-OD1 3.26Å; F367-N372 VanDerWaalsContact CZ-OD1 3.24Å; F367-N372 WeakPolarHBondContact CZ-OD1 3.34Å; F367-F374 HydrophobicContact CB-CD1 4.07Å; F367-F374 HydrophobicContact CB-CE1 4.09Å; F367-F374 AromaticContact CD2-CD1 3.87Å; F367-F374 HydrophobicContact CD2-CD1 3.87Å; F367-F374 HydrophobicContact CD2-CD2 4.06Å; F367-F374 AromaticContact CD2-CE1 3.71Å; F367-F374 HydrophobicContact CD2-CE1 3.71Å; F367-F374 AromaticContact CD2-CE2 3.9Å; F367-F374 HydrophobicContact CD2-CE2 3.9Å; F367-F374 HydrophobicContact CD2-CG 4.04Å; F367-F374 AromaticContact CD2-CZ 3.72Å; F367-F374 HydrophobicContact CD2-CZ 3.72Å; F367-F374 HydrophobicContact CE2-CD2 4.46Å; F367-F374 HydrophobicContact CE2-CE2 4.08Å; F367-F374 HydrophobicContact CE2-CZ 4.14Å; F367-F374 HydrophobicContact CG-CD1 4.42Å; F367-F374 HydrophobicContact CG-CE1 4.21Å
368	D	73.7	Confident	65.4	Low	44 Å²	44	74.8 Å²	74.8	24%	0.235	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	99.5	172	-177.6	-22.1	0	0	0	109	C370 K371 N372 F373 V375	D368-C370 PolarHBondContact O-N 3.2Å; D368-C370 WeakPolarHBondContact OD1-CA 3.43Å; D368-C370 WeakPolarHBondContact OD1-CB 3.47Å; D368-C370 PolarHBondContact OD1-N 2.83Å; D368-K371 PolarHBondContact O-N 3.33Å; D368-K371 PolarHBondContact OD1-N 3.3Å; D368-K371 WeakPolarHBondContact OD2-CD 3.27Å; D368-N372 WeakPolarHBondContact O-CA 3.28Å; D368-N372 PolarHBondContact O-N 3.37Å; D368-F373 PolarHBondContact N-O 3.16Å; D368-F373 PolarHBondContact O-N 3.26Å; D368-V375 HydrophobicContact CB-CG2 4.32Å
369	K	68.9	Low	66.2	Low	182 Å²	182	69.3 Å²	69.3	79%	0.791	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-25.6	179.2	-65.8	-178.9	179.6	179.4	0	113.6	F367	F367-K369 HydrophobicContact CD1-CG 3.77Å; F367-K369 HydrophobicContact CE1-CB 4.4Å; F367-K369 HydrophobicContact CE1-CG 3.93Å; F367-K369 PolarHBondContact O-N 3.07Å; F367-K369 VanDerWaalsContact O-N 3.17Å
370	C	63.4	Low	66.9	Low	124 Å²	124	65.6 Å²	65.6	84%	0.838	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-28.9	-178.1	-64.2	0	0	0	0	112	D368	D368-C370 PolarHBondContact O-N 3.2Å; D368-C370 WeakPolarHBondContact OD1-CA 3.43Å; D368-C370 WeakPolarHBondContact OD1-CB 3.47Å; D368-C370 PolarHBondContact OD1-N 2.83Å
371	K	67.1	Low	67.5	Low	127 Å²	127	68.1 Å²	68.1	55%	0.552	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.7	-10.6	-177.6	-59.7	-178.9	-174.9	164.8	0	113.8	D368 F373	D368-K371 PolarHBondContact O-N 3.33Å; D368-K371 PolarHBondContact OD1-N 3.3Å; D368-K371 WeakPolarHBondContact OD2-CD 3.27Å; K371-F373 HydrophobicContact CB-CD2 3.84Å; K371-F373 HydrophobicContact CB-CE2 4.3Å; K371-F373 WeakPolarHBondContact O-CD2 3.49Å; K371-F373 WeakPolarHBondContact O-CE2 3.46Å
372	N	69.6	Low	68.1	Low	101 Å²	101	74.2 Å²	74.2	54%	0.54	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.5	53.4	-177.4	-166.7	19.6	0	0	0	112.8	F367 D368	F367-N372 WeakPolarHBondContact CE2-OD1 3.26Å; F367-N372 VanDerWaalsContact CZ-OD1 3.24Å; F367-N372 WeakPolarHBondContact CZ-OD1 3.34Å; D368-N372 WeakPolarHBondContact O-CA 3.28Å; D368-N372 PolarHBondContact O-N 3.37Å
373	F	71.6	Confident	68.7	Low	52 Å²	52	72.7 Å²	72.7	23%	0.228	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	144	173.5	-66.1	-96	0	0	0	110.8	D368 K371 R382 S383 R384	D368-F373 PolarHBondContact N-O 3.16Å; D368-F373 PolarHBondContact O-N 3.26Å; K371-F373 HydrophobicContact CB-CD2 3.84Å; K371-F373 HydrophobicContact CB-CE2 4.3Å; K371-F373 WeakPolarHBondContact O-CD2 3.49Å; K371-F373 WeakPolarHBondContact O-CE2 3.46Å; F373-R382 HydrophobicContact CB-CB 4.43Å; F373-R382 HydrophobicContact CD1-CB 4.42Å; F373-S383 CarbonylContact C-O 3.53Å; F373-S383 WeakPolarHBondContact CA-O 3.48Å; F373-R384 HydrophobicContact CD1-CB 4.5Å; F373-R384 HydrophobicContact CD1-CG 3.59Å; F373-R384 HydrophobicContact CE1-CG 3.36Å; F373-R384 HydrophobicContact CG-CG 4.39Å; F373-R384 HydrophobicContact CZ-CG 4.02Å
374	F	70.3	Confident	69.2	Low	47 Å²	47	77.2 Å²	77.2	21%	0.206	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	140.8	159.9	-60.8	-88.8	0	0	0	109.1	T366 F367 R382 S383 H386 V389	T366-F374 CarbonylContact O-C 3.51Å; T366-F374 WeakPolarHBondContact O-CA 3.49Å; F367-F374 HydrophobicContact CB-CD1 4.07Å; F367-F374 HydrophobicContact CB-CE1 4.09Å; F367-F374 AromaticContact CD2-CD1 3.87Å; F367-F374 HydrophobicContact CD2-CD1 3.87Å; F367-F374 HydrophobicContact CD2-CD2 4.06Å; F367-F374 AromaticContact CD2-CE1 3.71Å; F367-F374 HydrophobicContact CD2-CE1 3.71Å; F367-F374 AromaticContact CD2-CE2 3.9Å; F367-F374 HydrophobicContact CD2-CE2 3.9Å; F367-F374 HydrophobicContact CD2-CG 4.04Å; F367-F374 AromaticContact CD2-CZ 3.72Å; F367-F374 HydrophobicContact CD2-CZ 3.72Å; F367-F374 HydrophobicContact CE2-CD2 4.46Å; F367-F374 HydrophobicContact CE2-CE2 4.08Å; F367-F374 HydrophobicContact CE2-CZ 4.14Å; F367-F374 HydrophobicContact CG-CD1 4.42Å; F367-F374 HydrophobicContact CG-CE1 4.21Å; F374-R382 VanDerWaalsContact O-CA 3.28Å; F374-R382 WeakPolarHBondContact O-CA 3.28Å; F374-S383 PolarHBondContact N-O 3.41Å; F374-S383 PolarHBondContact O-N 3.02Å; F374-H386 HydrophobicContact CD1-CB 4.26Å; F374-H386 AromaticContact CD1-CD2 3.56Å; F374-H386 HydrophobicContact CD2-CB 4.13Å; F374-H386 HydrophobicContact CE1-CB 3.98Å; F374-H386 AromaticContact CE1-CD2 3.64Å; F374-H386 HydrophobicContact CE2-CB 3.85Å; F374-H386 HydrophobicContact CG-CB 4.33Å; F374-H386 HydrophobicContact CZ-CB 3.78Å; F374-V389 HydrophobicContact CB-CB 4.2Å; F374-V389 HydrophobicContact CB-CG2 3.51Å
375	V	66.2	Low	69.2	Low	20 Å²	20	79.4 Å²	79.4	12%	0.121	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	124.2	-173.8	-174.9	0	0	0	0	109.2	T366 D368 F381 R382	T366-V375 PolarHBondContact N-O 3.27Å; T366-V375 PolarHBondContact O-N 3.17Å; D368-V375 HydrophobicContact CB-CG2 4.32Å; V375-F381 CarbonylContact C-O 3.57Å; V375-F381 VanDerWaalsContact CA-O 3.3Å; V375-F381 WeakPolarHBondContact CA-O 3.43Å; V375-R382 HydrophobicContact CG1-CG 4.24Å; V375-R382 HydrophobicContact CG2-CG 4.01Å
376	C	73.9	Confident	69	Low	0 Å²	0	82.2 Å²	82.2	0%	0	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	118	168.2	-178.9	0	0	0	0	109.4	V378 G380 F381 V389 V393 H397	C376-V378 PolarHBondContact O-N 3.21Å; C376-G380 WeakPolarHBondContact O-CA 3.42Å; C376-G380 PolarHBondContact O-N 2.84Å; C376-F381 HydrophobicContact CB-CB 4.35Å; C376-F381 PolarHBondContact N-O 3.35Å; C376-V389 HydrophobicContact CB-CG1 4.01Å; C376-V393 HydrophobicContact CB-CG2 4.34Å; C376-H397 PolarHBondContact SG-NE2 3.43Å; C376-H397 VanDerWaalsContact SG-NE2 3.42Å
377	Q	65.7	Low	68.7	Low	127 Å²	127	82.8 Å²	82.8	59%	0.593	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-5.7	179	-64.3	-164.2	0.1	0	0	114	K364 T366	K364-Q377 HydrophobicContact CB-CB 4.27Å; K364-Q377 WeakPolarHBondContact O-CB 3.44Å; K364-Q377 WeakPolarHBondContact O-CG 3.5Å; K364-Q377 PolarHBondContact O-N 2.86Å; T366-Q377 HydrophobicContact CG2-CG 4.31Å; T366-Q377 PolarHBondContact OG1-NE2 3.45Å
378	V	65	Low	68.4	Low	57 Å²	57	81 Å²	81	35%	0.345	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-38.5	174.8	-177.4	0	0	0	0	111.2	L361 K364 C376 H397	L361-V378 HydrophobicContact CD2-CG2 3.93Å; K364-V378 HydrophobicContact CB-CG2 4.11Å; K364-V378 HydrophobicContact CD-CG2 3.5Å; K364-V378 HydrophobicContact CG-CG2 4.46Å; C376-V378 PolarHBondContact O-N 3.21Å; V378-H397 WeakPolarHBondContact CB-NE2 3.49Å
379	C	63.4	Low	68	Low	68 Å²	68	78.9 Å²	78.9	46%	0.459	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.4	-7.6	-170.9	65.7	0	0	0	0	114.6	F381 H392	C379-F381 VanDerWaalsContact SG-CB 3.53Å; C379-F381 PolarHBondContact SG-N 2.6Å; C379-F381 VanDerWaalsContact SG-N 3.39Å; C379-H392 VanDerWaalsContact SG-CE1 3.56Å; C379-H392 PolarHBondContact SG-NE2 2.96Å
380	G	66.3	Low	67.9	Low	40 Å²	40	70.3 Å²	70.3	41%	0.412	36%	0.358	S	S	.	.			trans	82.6	-0.6	-177	0	0	0	0	0	116.1	C376 R382	C376-G380 WeakPolarHBondContact O-CA 3.42Å; C376-G380 PolarHBondContact O-N 2.84Å; G380-R382 VanDerWaalsContact O-CG 3.27Å; G380-R382 WeakPolarHBondContact O-CG 3.43Å
381	F	69.4	Low	67.9	Low	83 Å²	83	68.5 Å²	68.5	36%	0.364	33%	0.334	S	S	.	.			trans	-55	140	180	178	-97.3	0	0	0	112.1	V375 C376 C379 V389 H392	V375-F381 CarbonylContact C-O 3.57Å; V375-F381 VanDerWaalsContact CA-O 3.3Å; V375-F381 WeakPolarHBondContact CA-O 3.43Å; C376-F381 HydrophobicContact CB-CB 4.35Å; C376-F381 PolarHBondContact N-O 3.35Å; C379-F381 VanDerWaalsContact SG-CB 3.53Å; C379-F381 PolarHBondContact SG-N 2.6Å; C379-F381 VanDerWaalsContact SG-N 3.39Å; F381-V389 HydrophobicContact CD1-CG2 4.29Å; F381-V389 HydrophobicContact CE1-CG2 4.25Å; F381-H392 WeakPolarHBondContact CB-NE2 3.44Å; F381-H392 HydrophobicContact CD1-CB 3.79Å; F381-H392 AromaticContact CD1-CD2 3.59Å; F381-H392 AromaticContact CD1-CG 3.46Å; F381-H392 VanDerWaalsContact CD1-CG 3.46Å; F381-H392 HydrophobicContact CE1-CB 3.72Å; F381-H392 AromaticContact CE1-CG 3.9Å; F381-H392 HydrophobicContact CG-CB 4.45Å; F381-H392 AromaticContact CG-CD2 3.82Å; F381-H392 AromaticContact CG-CE1 3.92Å; F381-H392 AromaticContact CG-CG 3.72Å; F381-H392 AromaticContact CG-ND1 3.79Å; F381-H392 AromaticContact CG-NE2 3.94Å; F381-H392 HydrophobicContact CZ-CB 4.34Å
382	R	74.1	Confident	68.3	Low	145 Å²	145	63.7 Å²	63.7	55%	0.547	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	136.9	-176	-50.6	-166.6	177.8	159.4	0.3	112.5	F373 F374 V375 G380	F373-R382 HydrophobicContact CB-CB 4.43Å; F373-R382 HydrophobicContact CD1-CB 4.42Å; F374-R382 VanDerWaalsContact O-CA 3.28Å; F374-R382 WeakPolarHBondContact O-CA 3.28Å; V375-R382 HydrophobicContact CG1-CG 4.24Å; V375-R382 HydrophobicContact CG2-CG 4.01Å; G380-R382 VanDerWaalsContact O-CG 3.27Å; G380-R382 WeakPolarHBondContact O-CG 3.43Å
383	S	74.1	Confident	68	Low	14 Å²	14	58.9 Å²	58.9	10%	0.098	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	149.8	172.8	156.3	0	0	0	0	111.5	F373 F374 L385 N388	F373-S383 CarbonylContact C-O 3.53Å; F373-S383 WeakPolarHBondContact CA-O 3.48Å; F374-S383 PolarHBondContact N-O 3.41Å; F374-S383 PolarHBondContact O-N 3.02Å; S383-L385 VanDerWaalsContact C-N 3.28Å; S383-L385 PolarHBondContact OG-N 3.1Å; S383-L385 PolarHBondContact OG-O 3.33Å; S383-N388 WeakPolarHBondContact OG-CB 3.31Å
384	R	70.5	Confident	67.6	Low	177 Å²	177	56.4 Å²	56.4	67%	0.668	28%	0.277	S	S	*	.	S	Bend	trans	-72.9	-21.7	174.4	-62.9	-171.2	177.7	106.7	-2.7	113.1	F373	F373-R384 HydrophobicContact CD1-CB 4.5Å; F373-R384 HydrophobicContact CD1-CG 3.59Å; F373-R384 HydrophobicContact CE1-CG 3.36Å; F373-R384 HydrophobicContact CG-CG 4.39Å; F373-R384 HydrophobicContact CZ-CG 4.02Å
385	L	65.4	Low	67.1	Low	101 Å²	101	54.6 Å²	54.6	53%	0.529	27%	0.269	S	S	.	.	S	Bend	trans	-104.9	135.7	179	-60.6	176.9	0	0	0	110.3	S383 N388	S383-L385 VanDerWaalsContact C-N 3.28Å; S383-L385 PolarHBondContact OG-N 3.1Å; S383-L385 PolarHBondContact OG-O 3.33Å; L385-N388 HydrophobicContact CB-CB 4.25Å; L385-N388 PolarHBondContact O-N 2.99Å
386	H	65.7	Low	66.9	Low	82 Å²	82	57.3 Å²	57.3	38%	0.38	28%	0.281	S	S	.	.	H	α-helix	trans	-63.3	-49.1	177.7	-173	-133.3	0	0	0	111.3	F374 N388 V389 N390	F374-H386 HydrophobicContact CD1-CB 4.26Å; F374-H386 AromaticContact CD1-CD2 3.56Å; F374-H386 HydrophobicContact CD2-CB 4.13Å; F374-H386 HydrophobicContact CE1-CB 3.98Å; F374-H386 AromaticContact CE1-CD2 3.64Å; F374-H386 HydrophobicContact CE2-CB 3.85Å; F374-H386 HydrophobicContact CG-CB 4.33Å; F374-H386 HydrophobicContact CZ-CB 3.78Å; H386-N388 PolarHBondContact O-N 2.98Å; H386-V389 PolarHBondContact O-N 3.47Å; H386-N390 PolarHBondContact CE1-ND2 3.41Å; H386-N390 PolarHBondContact ND1-ND2 3.05Å; H386-N390 VanDerWaalsContact ND1-ND2 3.16Å; H386-N390 PolarHBondContact NE2-ND2 3.47Å; H386-N390 PolarHBondContact O-N 2.63Å; H386-N390 PolarHBondContact O-ND2 3.29Å
387	T	65	Low	66.5	Low	62 Å²	62	59.8 Å²	59.8	38%	0.38	29%	0.292	S	S	.	.	H	α-helix	trans	-49.9	-42.6	176.9	49.6	0	0	0	0	112.7	V389 N390 R391	T387-V389 PolarHBondContact O-N 3.2Å; T387-N390 PolarHBondContact O-N 3.14Å; T387-R391 VanDerWaalsContact O-CB 3.29Å; T387-R391 WeakPolarHBondContact O-CB 3.17Å; T387-R391 PolarHBondContact O-N 3.5Å
388	N	66	Low	66.1	Low	47 Å²	47	54.5 Å²	54.5	25%	0.251	27%	0.269	S	S	.	.	H	α-helix	trans	-65.3	-34.5	176.2	-81.3	-15.1	0	0	0	114	S383 L385 H386 R391 H392	S383-N388 WeakPolarHBondContact OG-CB 3.31Å; L385-N388 HydrophobicContact CB-CB 4.25Å; L385-N388 PolarHBondContact O-N 2.99Å; H386-N388 PolarHBondContact O-N 2.98Å; N388-R391 PolarHBondContact OD1-NH2 2.78Å; N388-H392 VanDerWaalsContact O-CB 3.27Å; N388-H392 WeakPolarHBondContact O-CB 3.41Å; N388-H392 PolarHBondContact O-N 2.78Å
389	V	65.9	Low	66.1	Low	0 Å²	0	54.8 Å²	54.8	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-74.7	-38.9	174.2	-175.2	0	0	0	0	110.4	I365 F374 C376 F381 H386 T387 H392 V393	I365-V389 HydrophobicContact CD1-CG1 4.09Å; I365-V389 HydrophobicContact CG1-CG1 4.06Å; I365-V389 HydrophobicContact CG2-CB 4.4Å; I365-V389 HydrophobicContact CG2-CG1 3.89Å; F374-V389 HydrophobicContact CB-CB 4.2Å; F374-V389 HydrophobicContact CB-CG2 3.51Å; C376-V389 HydrophobicContact CB-CG1 4.01Å; F381-V389 HydrophobicContact CD1-CG2 4.29Å; F381-V389 HydrophobicContact CE1-CG2 4.25Å; H386-V389 PolarHBondContact O-N 3.47Å; T387-V389 PolarHBondContact O-N 3.2Å; V389-H392 WeakPolarHBondContact O-CB 3.49Å; V389-H392 PolarHBondContact O-N 3.02Å; V389-V393 HydrophobicContact CG1-CG2 4.47Å; V389-V393 WeakPolarHBondContact O-CG2 3.46Å; V389-V393 PolarHBondContact O-N 3.25Å
390	N	66.4	Low	65.9	Low	2 Å²	2	52.6 Å²	52.6	1%	0.011	25%	0.248	C	C	.	.	H	α-helix	trans	-62.8	-45.5	175.7	-58.1	-40.1	0	0	0	111.4	A341 C342 I345 I365 H386 T387 H392 V393 A394	A341-N390 HydrophobicContact CB-CB 3.87Å; C342-N390 PolarHBondContact SG-ND2 3.23Å; I345-N390 WeakPolarHBondContact CD1-O 3.31Å; I365-N390 WeakPolarHBondContact CD1-OD1 3.39Å; H386-N390 PolarHBondContact CE1-ND2 3.41Å; H386-N390 PolarHBondContact ND1-ND2 3.05Å; H386-N390 VanDerWaalsContact ND1-ND2 3.16Å; H386-N390 PolarHBondContact NE2-ND2 3.47Å; H386-N390 PolarHBondContact O-N 2.63Å; H386-N390 PolarHBondContact O-ND2 3.29Å; T387-N390 PolarHBondContact O-N 3.14Å; N390-H392 PolarHBondContact O-N 3.3Å; N390-V393 PolarHBondContact O-N 3.35Å; N390-A394 WeakPolarHBondContact O-CB 3.22Å; N390-A394 PolarHBondContact O-N 3.28Å
391	R	64.7	Low	65.7	Low	86 Å²	86	52.9 Å²	52.9	33%	0.325	24%	0.239	S	C	.	.	H	α-helix	trans	-60.3	-42.5	172.4	176.2	165.3	63.7	175	-3.5	112.3	N338 T387 N388 A394 I395	N338-R391 WeakPolarHBondContact OD1-CD 3.43Å; N338-R391 PolarHBondContact OD1-NH1 2.72Å; T387-R391 VanDerWaalsContact O-CB 3.29Å; T387-R391 WeakPolarHBondContact O-CB 3.17Å; T387-R391 PolarHBondContact O-N 3.5Å; N388-R391 PolarHBondContact OD1-NH2 2.78Å; R391-A394 PolarHBondContact O-N 2.87Å; R391-I395 HydrophobicContact CG-CD1 3.57Å; R391-I395 HydrophobicContact CG-CG1 4.37Å; R391-I395 WeakPolarHBondContact O-CB 3.19Å; R391-I395 VanDerWaalsContact O-CG1 3.28Å; R391-I395 WeakPolarHBondContact O-CG1 3.49Å; R391-I395 PolarHBondContact O-N 2.93Å
392	H	73.9	Confident	65.3	Low	26 Å²	26	49 Å²	49	12%	0.12	22%	0.222	C	C	.	.	H	α-helix	trans	-59.7	-45	173	158.9	75.3	0	0	0	111.8	C379 F381 N388 V389 N390 I395 E396 H397	C379-H392 VanDerWaalsContact SG-CE1 3.56Å; C379-H392 PolarHBondContact SG-NE2 2.96Å; F381-H392 WeakPolarHBondContact CB-NE2 3.44Å; F381-H392 HydrophobicContact CD1-CB 3.79Å; F381-H392 AromaticContact CD1-CD2 3.59Å; F381-H392 AromaticContact CD1-CG 3.46Å; F381-H392 VanDerWaalsContact CD1-CG 3.46Å; F381-H392 HydrophobicContact CE1-CB 3.72Å; F381-H392 AromaticContact CE1-CG 3.9Å; F381-H392 HydrophobicContact CG-CB 4.45Å; F381-H392 AromaticContact CG-CD2 3.82Å; F381-H392 AromaticContact CG-CE1 3.92Å; F381-H392 AromaticContact CG-CG 3.72Å; F381-H392 AromaticContact CG-ND1 3.79Å; F381-H392 AromaticContact CG-NE2 3.94Å; F381-H392 HydrophobicContact CZ-CB 4.34Å; N388-H392 VanDerWaalsContact O-CB 3.27Å; N388-H392 WeakPolarHBondContact O-CB 3.41Å; N388-H392 PolarHBondContact O-N 2.78Å; V389-H392 WeakPolarHBondContact O-CB 3.49Å; V389-H392 PolarHBondContact O-N 3.02Å; N390-H392 PolarHBondContact O-N 3.3Å; H392-I395 PolarHBondContact O-N 3.32Å; H392-E396 WeakPolarHBondContact ND1-CG 3.46Å; H392-E396 VanDerWaalsContact O-CB 3.25Å; H392-E396 WeakPolarHBondContact O-CB 3.48Å; H392-E396 PolarHBondContact O-N 3.45Å; H392-H397 AromaticContact NE2-NE2 3.58Å
393	V	64.5	Low	64.7	Low	0 Å²	0	43 Å²	43	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-64.7	-41.3	176.2	172.9	0	0	0	0	110.9	I345 L361 I365 C376 V389 N390 I395 H397 T398	I345-V393 HydrophobicContact CD1-CB 3.85Å; I345-V393 HydrophobicContact CD1-CG1 3.6Å; I345-V393 HydrophobicContact CG1-CG1 4.15Å; L361-V393 HydrophobicContact CB-CG1 3.91Å; L361-V393 HydrophobicContact CD1-CG1 4.34Å; I365-V393 HydrophobicContact CD1-CB 4.5Å; I365-V393 HydrophobicContact CD1-CG2 3.88Å; I365-V393 HydrophobicContact CG1-CG2 4.09Å; C376-V393 HydrophobicContact CB-CG2 4.34Å; V389-V393 HydrophobicContact CG1-CG2 4.47Å; V389-V393 WeakPolarHBondContact O-CG2 3.46Å; V389-V393 PolarHBondContact O-N 3.25Å; N390-V393 PolarHBondContact O-N 3.35Å; V393-I395 PolarHBondContact O-N 2.87Å; V393-H397 HydrophobicContact CG1-CB 4.29Å; V393-H397 WeakPolarHBondContact O-CA 3.35Å; V393-H397 WeakPolarHBondContact O-CB 3.47Å; V393-H397 PolarHBondContact O-N 2.91Å; V393-T398 PolarHBondContact O-N 3.24Å
394	A	62.2	Low	63.7	Low	0 Å²	0	43.1 Å²	43.1	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-59.9	-47	177.7	0	0	0	0	0	111.9	A341 I345 N390 R391 T398 K399 I400	A341-A394 HydrophobicContact CB-CB 4.13Å; I345-A394 HydrophobicContact CD1-CB 4.44Å; N390-A394 WeakPolarHBondContact O-CB 3.22Å; N390-A394 PolarHBondContact O-N 3.28Å; R391-A394 PolarHBondContact O-N 2.87Å; A394-T398 VanDerWaalsContact CA-OG1 3.23Å; A394-T398 WeakPolarHBondContact CA-OG1 3.27Å; A394-T398 CarbonylContact O-C 3.55Å; A394-T398 PolarHBondContact O-N 2.77Å; A394-T398 PolarHBondContact O-OG1 3.42Å; A394-K399 PolarHBondContact O-N 2.74Å; A394-I400 HydrophobicContact CB-CB 4.43Å; A394-I400 PolarHBondContact O-N 3.31Å
395	I	61.5	Low	62.9	Low	10 Å²	10	34.7 Å²	34.7	5%	0.051	17%	0.168	C	C	.	.	H	α-helix	trans	-74.4	-52.4	-179.5	-66	167.9	0	0	0	111.3	R391 H392 V393 K399 I400 F401 P402	R391-I395 HydrophobicContact CG-CD1 3.57Å; R391-I395 HydrophobicContact CG-CG1 4.37Å; R391-I395 WeakPolarHBondContact O-CB 3.19Å; R391-I395 VanDerWaalsContact O-CG1 3.28Å; R391-I395 WeakPolarHBondContact O-CG1 3.49Å; R391-I395 PolarHBondContact O-N 2.93Å; H392-I395 PolarHBondContact O-N 3.32Å; V393-I395 PolarHBondContact O-N 2.87Å; I395-K399 VanDerWaalsContact O-CA 3.31Å; I395-K399 WeakPolarHBondContact O-CA 3Å; I395-K399 WeakPolarHBondContact O-CD 3.38Å; I395-K399 PolarHBondContact O-N 3.24Å; I395-I400 WeakPolarHBondContact CA-O 3.29Å; I395-I400 VanDerWaalsContact CG1-O 3.28Å; I395-I400 WeakPolarHBondContact CG1-O 3.47Å; I395-F401 HydrophobicContact CG2-CD1 3.84Å; I395-F401 HydrophobicContact CG2-CE1 3.73Å; I395-P402 HydrophobicContact CD1-CG 4.11Å
396	E	62.2	Low	62.1	Low	77 Å²	77	35.5 Å²	35.5	36%	0.36	17%	0.173	S	C	.	.	H	α-helix	trans	-83.2	-31.6	-169.2	-65.7	-54.1	147	0	0	114	H392 K399	H392-E396 WeakPolarHBondContact ND1-CG 3.46Å; H392-E396 VanDerWaalsContact O-CB 3.25Å; H392-E396 WeakPolarHBondContact O-CB 3.48Å; H392-E396 PolarHBondContact O-N 3.45Å; E396-K399 PolarHBondContact O-NZ 2.86Å; E396-K399 IonicContact OE2-NZ 3.5Å
397	H	63.9	Low	61.2	Low	52 Å²	52	37.8 Å²	37.8	24%	0.241	19%	0.188	C	C	.	.	H	α-helix	trans	-109.6	-25.5	-173.9	-55.3	-31	0	0	0	113.9	L361 C376 V378 H392 V393	L361-H397 HydrophobicContact CD1-CB 4.09Å; L361-H397 HydrophobicContact CD2-CB 4.09Å; C376-H397 PolarHBondContact SG-NE2 3.43Å; C376-H397 VanDerWaalsContact SG-NE2 3.42Å; V378-H397 WeakPolarHBondContact CB-NE2 3.49Å; H392-H397 AromaticContact NE2-NE2 3.58Å; V393-H397 HydrophobicContact CG1-CB 4.29Å; V393-H397 WeakPolarHBondContact O-CA 3.35Å; V393-H397 WeakPolarHBondContact O-CB 3.47Å; V393-H397 PolarHBondContact O-N 2.91Å
398	T	58.4	Low	60.4	Low	16 Å²	16	37.7 Å²	37.7	10%	0.098	19%	0.189	C	C	.	.	H	α-helix	trans	-112.9	0.9	173.8	61.1	0	0	0	0	114.7	Y289 L361 V393 A394 I400	Y289-T398 PolarHBondContact OH-O 2.93Å; L361-T398 HydrophobicContact CD1-CG2 3.49Å; L361-T398 VanDerWaalsContact CD1-CG2 3.49Å; V393-T398 PolarHBondContact O-N 3.24Å; A394-T398 VanDerWaalsContact CA-OG1 3.23Å; A394-T398 WeakPolarHBondContact CA-OG1 3.27Å; A394-T398 CarbonylContact O-C 3.55Å; A394-T398 PolarHBondContact O-N 2.77Å; A394-T398 PolarHBondContact O-OG1 3.42Å; T398-I400 PolarHBondContact O-N 3.4Å; T398-I400 WeakPolarHBondContact OG1-CD1 3.21Å; T398-I400 WeakPolarHBondContact OG1-CG1 3.27Å
399	K	63.5	Low	59.6	Low	63 Å²	63	37.1 Å²	37.1	27%	0.274	20%	0.195	S	C	.	.			trans	54.3	33.5	179	-55.5	-47.1	-170.5	-164.2	0	114.1	Y289 A394 I395 E396 F401	Y289-K399 PolarHBondContact OH-O 3.46Å; A394-K399 PolarHBondContact O-N 2.74Å; I395-K399 VanDerWaalsContact O-CA 3.31Å; I395-K399 WeakPolarHBondContact O-CA 3Å; I395-K399 WeakPolarHBondContact O-CD 3.38Å; I395-K399 PolarHBondContact O-N 3.24Å; E396-K399 PolarHBondContact O-NZ 2.86Å; E396-K399 IonicContact OE2-NZ 3.5Å; K399-F401 HydrophobicContact CB-CE2 3.97Å; K399-F401 HydrophobicContact CD-CE2 4.47Å; K399-F401 HydrophobicContact CD-CZ 4.21Å; K399-F401 WeakPolarHBondContact O-CD2 3.43Å; K399-F401 WeakPolarHBondContact O-CE2 3.17Å
400	I	60	Low	59	Low	21 Å²	21	42.9 Å²	42.9	11%	0.108	22%	0.22	C	C	.	.			trans	-93.7	103.4	174.5	-56.9	178.9	0	0	0	107.5	V337 L344 A394 I395 T398	V337-I400 HydrophobicContact CB-CG2 4.36Å; V337-I400 HydrophobicContact CG1-CG2 3.91Å; V337-I400 HydrophobicContact CG2-CG2 3.49Å; V337-I400 VanDerWaalsContact CG2-CG2 3.49Å; L344-I400 HydrophobicContact CB-CD1 3.83Å; L344-I400 HydrophobicContact CD1-CD1 4.35Å; L344-I400 HydrophobicContact CD1-CG2 3.91Å; A394-I400 HydrophobicContact CB-CB 4.43Å; A394-I400 PolarHBondContact O-N 3.31Å; I395-I400 WeakPolarHBondContact CA-O 3.29Å; I395-I400 VanDerWaalsContact CG1-O 3.28Å; I395-I400 WeakPolarHBondContact CG1-O 3.47Å; T398-I400 PolarHBondContact O-N 3.4Å; T398-I400 WeakPolarHBondContact OG1-CD1 3.21Å; T398-I400 WeakPolarHBondContact OG1-CG1 3.27Å
401	F	62.7	Low	58.4	Low	47 Å²	47	43.9 Å²	43.9	21%	0.206	23%	0.23	C	C	.	.			trans	-99.1	134.2	-175.7	-63.7	-82.5	0	0	0	111.4	H333 I395 K399 H403 V404	H333-F401 PolarHBondContact NE2-O 2.99Å; I395-F401 HydrophobicContact CG2-CD1 3.84Å; I395-F401 HydrophobicContact CG2-CE1 3.73Å; K399-F401 HydrophobicContact CB-CE2 3.97Å; K399-F401 HydrophobicContact CD-CE2 4.47Å; K399-F401 HydrophobicContact CD-CZ 4.21Å; K399-F401 WeakPolarHBondContact O-CD2 3.43Å; K399-F401 WeakPolarHBondContact O-CE2 3.17Å; F401-H403 PolarHBondContact O-N 2.88Å; F401-V404 HydrophobicContact CB-CG2 4.26Å
402	P	61	Low	58.3	Low	1 Å²	1	41.4 Å²	41.4	1%	0.006	22%	0.222	C	C	.	.	S	Bend	trans	-62.2	-25.3	178.9	-23.1	30.8	0	0	0	115.3	H333 V337 I395 F412	H333-P402 PolarHBondContact CD2-O 3.47Å; V337-P402 HydrophobicContact CB-CB 4.33Å; V337-P402 HydrophobicContact CB-CG 4.22Å; V337-P402 HydrophobicContact CG1-CB 4.36Å; V337-P402 HydrophobicContact CG1-CG 3.74Å; I395-P402 HydrophobicContact CD1-CG 4.11Å; P402-F412 WeakPolarHBondContact CD-O 3.24Å
403	H	60.8	Low	57.7	Low	18 Å²	18	42.7 Å²	42.7	8%	0.083	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	133.2	-178	-48.6	-60.4	0	0	0	109.3	S334 F401 G411 F412 S414 M415 Y418	S334-H403 PolarHBondContact OG-CE1 2.9Å; F401-H403 PolarHBondContact O-N 2.88Å; H403-G411 CarbonylContact O-C 3.56Å; H403-G411 WeakPolarHBondContact O-CA 3.02Å; H403-F412 PolarHBondContact O-N 3.37Å; H403-S414 VanDerWaalsContact CD2-C 3.49Å; H403-M415 PolarHBondContact CD2-N 2.84Å; H403-M415 VanDerWaalsContact CD2-N 3.31Å; H403-M415 VanDerWaalsContact CE1-CE 3.45Å; H403-M415 WeakPolarHBondContact CE1-CE 3.42Å; H403-M415 PolarHBondContact NE2-N 3.1Å; H403-Y418 HydrophobicContact CB-CD1 3.64Å; H403-Y418 HydrophobicContact CB-CD2 4.46Å; H403-Y418 HydrophobicContact CB-CE1 4.27Å; H403-Y418 HydrophobicContact CB-CG 3.72Å
404	V	53.2	Low	57.5	Low	18 Å²	18	44.6 Å²	44.6	11%	0.109	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	133.8	-175.9	-170.8	0	0	0	0	109.8	S302 F401 D406 K410 Y418	S302-V404 WeakPolarHBondContact OG-CG1 3.47Å; F401-V404 HydrophobicContact CB-CG2 4.26Å; V404-D406 PolarHBondContact O-N 3.49Å; V404-K410 WeakPolarHBondContact CA-O 3.48Å; V404-Y418 PolarHBondContact O-OH 3.47Å
405	C	53.5	Low	57.4	Low	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.256	C	S	.	.			trans	-79.7	117.2	-178.4	-177.4	0	0	0	0	113	D407 C408 G409 K410 Y418 H421 L422 H425	C405-D407 VanDerWaalsContact C-N 3.27Å; C405-D407 PolarHBondContact O-N 3.04Å; C405-C408 PolarHBondContact O-N 2.87Å; C405-G409 VanDerWaalsContact O-CA 3.31Å; C405-G409 WeakPolarHBondContact O-CA 3.44Å; C405-G409 PolarHBondContact O-N 3.18Å; C405-K410 PolarHBondContact N-O 2.84Å; C405-Y418 HydrophobicContact CB-CD2 4.5Å; C405-Y418 HydrophobicContact CB-CE2 3.78Å; C405-H421 WeakPolarHBondContact CB-NE2 3.46Å; C405-H421 PolarHBondContact SG-NE2 2.86Å; C405-L422 HydrophobicContact CB-CD2 4.48Å; C405-H425 PolarHBondContact SG-NE2 3.47Å
406	D	49	Very low	57.3	Low	117 Å²	117	48.6 Å²	48.6	63%	0.626	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-36.3	175.4	-73.3	-19.5	0	0	0	113.4	V404 C408	V404-D406 PolarHBondContact O-N 3.49Å; D406-C408 VanDerWaalsContact C-N 3.31Å; D406-C408 PolarHBondContact O-N 3.01Å
407	D	46.1	Very low	57.5	Low	131 Å²	131	48.8 Å²	48.8	70%	0.701	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-21.6	-177	-77.4	-42.4	0	0	0	113.8	C405	C405-D407 VanDerWaalsContact C-N 3.27Å; C405-D407 PolarHBondContact O-N 3.04Å
408	C	49.6	Very low	57.5	Low	59 Å²	59	46.5 Å²	46.5	40%	0.399	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-150.6	10	-177.3	81.8	0	0	0	0	117.2	C405 D406 K410 H421	C405-C408 PolarHBondContact O-N 2.87Å; D406-C408 VanDerWaalsContact C-N 3.31Å; D406-C408 PolarHBondContact O-N 3.01Å; C408-K410 VanDerWaalsContact C-N 3.25Å; C408-K410 PolarHBondContact O-N 2.79Å; C408-H421 PolarHBondContact SG-CE1 3.27Å; C408-H421 PolarHBondContact SG-NE2 3.48Å
409	G	49.6	Very low	57.5	Low	36 Å²	36	45.9 Å²	45.9	37%	0.371	25%	0.254	S	S	.	.			trans	67	10.8	176.3	0	0	0	0	0	116.4	C405	C405-G409 VanDerWaalsContact O-CA 3.31Å; C405-G409 WeakPolarHBondContact O-CA 3.44Å; C405-G409 PolarHBondContact O-N 3.18Å
410	K	51.8	Low	57.5	Low	121 Å²	121	47.7 Å²	47.7	53%	0.526	26%	0.262	S	S	.	.			trans	-78.7	125	-178.6	-76.1	-175.9	179.4	-176.2	0	110.9	V404 C405 C408 F412	V404-K410 WeakPolarHBondContact CA-O 3.48Å; C405-K410 PolarHBondContact N-O 2.84Å; C408-K410 VanDerWaalsContact C-N 3.25Å; C408-K410 PolarHBondContact O-N 2.79Å; K410-F412 HydrophobicContact CB-CE2 3.63Å; K410-F412 HydrophobicContact CB-CZ 3.69Å; K410-F412 HydrophobicContact CD-CZ 4.4Å; K410-F412 WeakPolarHBondContact O-CD2 3.39Å; K410-F412 WeakPolarHBondContact O-CE2 3.17Å
411	G	54.3	Low	57.9	Low	22 Å²	22	47.5 Å²	47.5	23%	0.227	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	146.1	174.2	0	0	0	0	0	113.2	H403	H403-G411 CarbonylContact O-C 3.56Å; H403-G411 WeakPolarHBondContact O-CA 3.02Å
412	F	62.4	Low	57.7	Low	35 Å²	35	46.7 Å²	46.7	15%	0.154	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	142.1	-177.2	-63.4	-80.7	0	0	0	111.8	P402 H403 K410 S414 E417 Y418 H421	P402-F412 WeakPolarHBondContact CD-O 3.24Å; H403-F412 PolarHBondContact O-N 3.37Å; K410-F412 HydrophobicContact CB-CE2 3.63Å; K410-F412 HydrophobicContact CB-CZ 3.69Å; K410-F412 HydrophobicContact CD-CZ 4.4Å; K410-F412 WeakPolarHBondContact O-CD2 3.39Å; K410-F412 WeakPolarHBondContact O-CE2 3.17Å; F412-S414 VanDerWaalsContact C-N 3.27Å; F412-S414 PolarHBondContact O-N 2.79Å; F412-E417 HydrophobicContact CB-CB 4.27Å; F412-E417 HydrophobicContact CD1-CB 3.84Å; F412-E417 HydrophobicContact CG-CB 4.38Å; F412-Y418 AromaticContact CD2-CD2 3.69Å; F412-Y418 HydrophobicContact CD2-CD2 3.69Å; F412-Y418 HydrophobicContact CD2-CG 4.31Å; F412-Y418 HydrophobicContact CE2-CD2 4.15Å; F412-H421 HydrophobicContact CE1-CB 3.74Å; F412-H421 HydrophobicContact CE2-CB 3.76Å; F412-H421 AromaticContact CE2-CD2 3.17Å; F412-H421 WeakPolarHBondContact CE2-CD2 3.28Å; F412-H421 AromaticContact CE2-CG 3.53Å; F412-H421 HydrophobicContact CZ-CB 3.29Å; F412-H421 AromaticContact CZ-CD2 3.31Å; F412-H421 WeakPolarHBondContact CZ-CD2 3.4Å; F412-H421 AromaticContact CZ-CG 3.14Å; F412-H421 AromaticContact CZ-ND1 3.91Å
413	S	61.1	Low	57.6	Low	53 Å²	53	47.8 Å²	47.8	37%	0.371	26%	0.264	S	S	.	.	S	Bend	trans	-73.4	-21.4	179.6	82.2	0	0	0	0	113.2	E417	S413-E417 PolarHBondContact OG-OE2 3.19Å
414	S	60	Low	57.6	Low	39 Å²	39	50.8 Å²	50.8	27%	0.273	29%	0.287	S	S	.	.	S	Bend	trans	-146.6	146.2	-172.8	69.6	0	0	0	0	112.4	H403 F412 L416 E417 Y418	H403-S414 VanDerWaalsContact CD2-C 3.49Å; F412-S414 VanDerWaalsContact C-N 3.27Å; F412-S414 PolarHBondContact O-N 2.79Å; S414-L416 VanDerWaalsContact C-N 3.26Å; S414-L416 PolarHBondContact O-N 2.79Å; S414-E417 PolarHBondContact N-OE2 3.42Å; S414-E417 PolarHBondContact O-N 3.47Å; S414-E417 VanDerWaalsContact O-N 3.11Å; S414-E417 VanDerWaalsContact OG-CG 3.22Å; S414-E417 WeakPolarHBondContact OG-CG 3.49Å; S414-E417 PolarHBondContact OG-N 3.08Å; S414-E417 PolarHBondContact OG-OE2 3.28Å; S414-Y418 PolarHBondContact O-N 2.84Å
415	M	60.5	Low	57.6	Low	40 Å²	40	53.6 Å²	53.6	20%	0.197	30%	0.299	C	S	.	.	H	α-helix	trans	-54.5	-40.4	177.1	-177	57.9	69.9	0	0	112.6	H403 E417 Y418 C419 Y435	H403-M415 PolarHBondContact CD2-N 2.84Å; H403-M415 VanDerWaalsContact CD2-N 3.31Å; H403-M415 VanDerWaalsContact CE1-CE 3.45Å; H403-M415 WeakPolarHBondContact CE1-CE 3.42Å; H403-M415 PolarHBondContact NE2-N 3.1Å; M415-E417 VanDerWaalsContact C-N 3.29Å; M415-E417 PolarHBondContact O-N 2.73Å; M415-Y418 WeakPolarHBondContact O-CB 3.46Å; M415-Y418 PolarHBondContact O-N 3.27Å; M415-Y418 VanDerWaalsContact O-N 3.14Å; M415-Y418 HydrophobicContact SD-CD1 3.99Å; M415-C419 PolarHBondContact O-N 3.31Å; M415-C419 PolarHBondContact O-SG 3.11Å; M415-Y435 HydrophobicContact CE-CE2 4.23Å; M415-Y435 WeakPolarHBondContact CE-OH 3.43Å
416	L	60.6	Low	57.6	Low	55 Å²	55	58 Å²	58	29%	0.288	32%	0.321	S	S	.	.	H	α-helix	trans	-64.3	-33.9	-179.5	-176.6	63.8	0	0	0	112.6	S414 K420 I443	S414-L416 VanDerWaalsContact C-N 3.26Å; S414-L416 PolarHBondContact O-N 2.79Å; L416-K420 WeakPolarHBondContact O-CB 3.05Å; L416-K420 WeakPolarHBondContact O-CD 3.46Å; L416-K420 WeakPolarHBondContact O-CG 3.45Å; L416-K420 PolarHBondContact O-N 3.5Å; L416-I443 HydrophobicContact CD1-CD1 4.29Å; L416-I443 HydrophobicContact CD1-CG1 4.31Å
417	E	64.7	Low	57.3	Low	81 Å²	81	58.1 Å²	58.1	38%	0.379	33%	0.332	S	S	.	.	H	α-helix	trans	-74	-38.2	173.7	-68.8	165.1	155.6	0	0	111.3	F412 S413 S414 M415 K420 H421	F412-E417 HydrophobicContact CB-CB 4.27Å; F412-E417 HydrophobicContact CD1-CB 3.84Å; F412-E417 HydrophobicContact CG-CB 4.38Å; S413-E417 PolarHBondContact OG-OE2 3.19Å; S414-E417 PolarHBondContact N-OE2 3.42Å; S414-E417 PolarHBondContact O-N 3.47Å; S414-E417 VanDerWaalsContact O-N 3.11Å; S414-E417 VanDerWaalsContact OG-CG 3.22Å; S414-E417 WeakPolarHBondContact OG-CG 3.49Å; S414-E417 PolarHBondContact OG-N 3.08Å; S414-E417 PolarHBondContact OG-OE2 3.28Å; M415-E417 VanDerWaalsContact C-N 3.29Å; M415-E417 PolarHBondContact O-N 2.73Å; E417-K420 WeakPolarHBondContact O-CB 3.2Å; E417-K420 PolarHBondContact O-N 3.38Å; E417-H421 WeakPolarHBondContact O-CB 3.49Å; E417-H421 PolarHBondContact O-N 3.23Å
418	Y	64.5	Low	57.4	Low	3 Å²	3	59.2 Å²	59.2	1%	0.012	33%	0.333	C	S	.	.	H	α-helix	trans	-61.1	-52	174.6	-177.6	-140.8	0	0	0	112	E330 H403 V404 C405 F412 S414 M415 K420 H421 L422	E330-Y418 PolarHBondContact OE1-OH 3.34Å; H403-Y418 HydrophobicContact CB-CD1 3.64Å; H403-Y418 HydrophobicContact CB-CD2 4.46Å; H403-Y418 HydrophobicContact CB-CE1 4.27Å; H403-Y418 HydrophobicContact CB-CG 3.72Å; V404-Y418 PolarHBondContact O-OH 3.47Å; C405-Y418 HydrophobicContact CB-CD2 4.5Å; C405-Y418 HydrophobicContact CB-CE2 3.78Å; F412-Y418 AromaticContact CD2-CD2 3.69Å; F412-Y418 HydrophobicContact CD2-CD2 3.69Å; F412-Y418 HydrophobicContact CD2-CG 4.31Å; F412-Y418 HydrophobicContact CE2-CD2 4.15Å; S414-Y418 PolarHBondContact O-N 2.84Å; M415-Y418 WeakPolarHBondContact O-CB 3.46Å; M415-Y418 PolarHBondContact O-N 3.27Å; M415-Y418 VanDerWaalsContact O-N 3.14Å; M415-Y418 HydrophobicContact SD-CD1 3.99Å; Y418-K420 PolarHBondContact O-N 3.3Å; Y418-H421 CarbonylContact O-C 3.57Å; Y418-H421 WeakPolarHBondContact O-CA 3.16Å; Y418-H421 WeakPolarHBondContact O-CB 3.48Å; Y418-H421 PolarHBondContact O-N 3.43Å; Y418-L422 HydrophobicContact CD1-CD1 4.38Å; Y418-L422 HydrophobicContact CD2-CD1 4.4Å; Y418-L422 HydrophobicContact CD2-CD2 4.46Å; Y418-L422 HydrophobicContact CD2-CG 4.08Å; Y418-L422 HydrophobicContact CE1-CD1 4.01Å; Y418-L422 HydrophobicContact CE2-CD1 3.94Å; Y418-L422 HydrophobicContact CE2-CD2 3.66Å; Y418-L422 HydrophobicContact CE2-CG 3.69Å; Y418-L422 PolarHBondContact O-N 3.41Å
419	C	58.7	Low	57.4	Low	3 Å²	3	59.7 Å²	59.7	2%	0.02	35%	0.347	C	S	.	.	H	α-helix	trans	-60.2	-42.2	176.4	-58.1	0	0	0	0	112	M415 H421 L422 N423 L446	M415-C419 PolarHBondContact O-N 3.31Å; M415-C419 PolarHBondContact O-SG 3.11Å; C419-H421 PolarHBondContact O-N 3.14Å; C419-L422 PolarHBondContact O-N 3.14Å; C419-N423 PolarHBondContact O-N 2.9Å; C419-N423 VanDerWaalsContact O-N 3.1Å; C419-N423 PolarHBondContact O-ND2 2.8Å; C419-L446 HydrophobicContact CB-CD2 4.22Å
420	K	64.6	Low	57.6	Low	101 Å²	101	61.7 Å²	61.7	44%	0.439	35%	0.349	S	S	.	.	H	α-helix	trans	-55.7	-39.8	172.8	-79.1	168.7	-176.9	172.2	0	111.8	L416 E417 Y418 S424 I443	L416-K420 WeakPolarHBondContact O-CB 3.05Å; L416-K420 WeakPolarHBondContact O-CD 3.46Å; L416-K420 WeakPolarHBondContact O-CG 3.45Å; L416-K420 PolarHBondContact O-N 3.5Å; E417-K420 WeakPolarHBondContact O-CB 3.2Å; E417-K420 PolarHBondContact O-N 3.38Å; Y418-K420 PolarHBondContact O-N 3.3Å; K420-S424 PolarHBondContact O-N 2.94Å; K420-I443 HydrophobicContact CD-CD1 3.99Å; K420-I443 HydrophobicContact CG-CD1 3.56Å
421	H	68.3	Low	57.8	Low	18 Å²	18	59.2 Å²	59.2	8%	0.083	34%	0.336	C	S	.	.	H	α-helix	trans	-74.3	-40.8	179.9	169.5	57.6	0	0	0	113.2	C405 C408 F412 E417 Y418 C419 N423 S424 H425	C405-H421 WeakPolarHBondContact CB-NE2 3.46Å; C405-H421 PolarHBondContact SG-NE2 2.86Å; C408-H421 PolarHBondContact SG-CE1 3.27Å; C408-H421 PolarHBondContact SG-NE2 3.48Å; F412-H421 HydrophobicContact CE1-CB 3.74Å; F412-H421 HydrophobicContact CE2-CB 3.76Å; F412-H421 AromaticContact CE2-CD2 3.17Å; F412-H421 WeakPolarHBondContact CE2-CD2 3.28Å; F412-H421 AromaticContact CE2-CG 3.53Å; F412-H421 HydrophobicContact CZ-CB 3.29Å; F412-H421 AromaticContact CZ-CD2 3.31Å; F412-H421 WeakPolarHBondContact CZ-CD2 3.4Å; F412-H421 AromaticContact CZ-CG 3.14Å; F412-H421 AromaticContact CZ-ND1 3.91Å; E417-H421 WeakPolarHBondContact O-CB 3.49Å; E417-H421 PolarHBondContact O-N 3.23Å; Y418-H421 CarbonylContact O-C 3.57Å; Y418-H421 WeakPolarHBondContact O-CA 3.16Å; Y418-H421 WeakPolarHBondContact O-CB 3.48Å; Y418-H421 PolarHBondContact O-N 3.43Å; C419-H421 PolarHBondContact O-N 3.14Å; H421-N423 PolarHBondContact O-N 3.47Å; H421-S424 PolarHBondContact ND1-OG 3.26Å; H421-S424 WeakPolarHBondContact O-CA 3.28Å; H421-S424 VanDerWaalsContact O-CB 3.28Å; H421-S424 WeakPolarHBondContact O-CB 3.47Å; H421-S424 PolarHBondContact O-N 2.87Å; H421-S424 PolarHBondContact O-OG 2.92Å; H421-H425 AromaticContact CE1-CE1 3.57Å; H421-H425 AromaticContact CE1-NE2 3.31Å; H421-H425 PolarHBondContact CE1-NE2 3.36Å; H421-H425 VanDerWaalsContact CE1-NE2 3.31Å; H421-H425 AromaticContact NE2-CE1 3.83Å; H421-H425 AromaticContact NE2-NE2 3.17Å; H421-H425 PolarHBondContact NE2-NE2 2.93Å; H421-H425 VanDerWaalsContact NE2-NE2 3.17Å
422	L	56.7	Low	57.7	Low	30 Å²	30	61.3 Å²	61.3	16%	0.157	34%	0.342	C	S	.	.	H	α-helix	trans	-56.2	-43.1	172.5	-69	177.2	0	0	0	110.9	C405 Y418 C419 S424 H425 Q434	C405-L422 HydrophobicContact CB-CD2 4.48Å; Y418-L422 HydrophobicContact CD1-CD1 4.38Å; Y418-L422 HydrophobicContact CD2-CD1 4.4Å; Y418-L422 HydrophobicContact CD2-CD2 4.46Å; Y418-L422 HydrophobicContact CD2-CG 4.08Å; Y418-L422 HydrophobicContact CE1-CD1 4.01Å; Y418-L422 HydrophobicContact CE2-CD1 3.94Å; Y418-L422 HydrophobicContact CE2-CD2 3.66Å; Y418-L422 HydrophobicContact CE2-CG 3.69Å; Y418-L422 PolarHBondContact O-N 3.41Å; C419-L422 PolarHBondContact O-N 3.14Å; L422-S424 PolarHBondContact O-N 2.78Å; L422-S424 VanDerWaalsContact O-N 3.1Å; L422-H425 WeakPolarHBondContact O-CB 3.45Å; L422-H425 PolarHBondContact O-N 3.39Å; L422-Q434 HydrophobicContact CD1-CG 4.23Å; L422-Q434 VanDerWaalsContact CD1-OE1 3.29Å
423	N	59.7	Low	57.5	Low	24 Å²	24	60.1 Å²	60.1	13%	0.128	34%	0.338	C	S	.	.	H	α-helix	trans	-66.4	-7.3	173.8	-66.3	-59.8	0	0	0	114.1	C419 H421 L426 I430 L432	C419-N423 PolarHBondContact O-N 2.9Å; C419-N423 VanDerWaalsContact O-N 3.1Å; C419-N423 PolarHBondContact O-ND2 2.8Å; H421-N423 PolarHBondContact O-N 3.47Å; N423-L426 VanDerWaalsContact O-O 3.12Å; N423-I430 PolarHBondContact OD1-O 3.45Å; N423-L432 PolarHBondContact OD1-N 3.14Å
424	S	59.9	Low	57	Low	80 Å²	80	61 Å²	61	56%	0.559	34%	0.336	S	S	*	.	H	α-helix	trans	-82.8	-18.2	169.8	76.1	0	0	0	0	113.7	K420 H421 L422	K420-S424 PolarHBondContact O-N 2.94Å; H421-S424 PolarHBondContact ND1-OG 3.26Å; H421-S424 WeakPolarHBondContact O-CA 3.28Å; H421-S424 VanDerWaalsContact O-CB 3.28Å; H421-S424 WeakPolarHBondContact O-CB 3.47Å; H421-S424 PolarHBondContact O-N 2.87Å; H421-S424 PolarHBondContact O-OG 2.92Å; L422-S424 PolarHBondContact O-N 2.78Å; L422-S424 VanDerWaalsContact O-N 3.1Å
425	H	54.4	Low	56.7	Low	78 Å²	78	60.7 Å²	60.7	36%	0.361	33%	0.329	S	S	.	.	H	α-helix	trans	-83	-27.9	170.5	-57.9	-55.3	0	0	0	112	C405 H421 L422	C405-H425 PolarHBondContact SG-NE2 3.47Å; H421-H425 AromaticContact CE1-CE1 3.57Å; H421-H425 AromaticContact CE1-NE2 3.31Å; H421-H425 PolarHBondContact CE1-NE2 3.36Å; H421-H425 VanDerWaalsContact CE1-NE2 3.31Å; H421-H425 AromaticContact NE2-CE1 3.83Å; H421-H425 AromaticContact NE2-NE2 3.17Å; H421-H425 PolarHBondContact NE2-NE2 2.93Å; H421-H425 VanDerWaalsContact NE2-NE2 3.17Å; L422-H425 WeakPolarHBondContact O-CB 3.45Å; L422-H425 PolarHBondContact O-N 3.39Å
426	L	53.5	Low	56.5	Low	92 Å²	92	60.2 Å²	60.2	48%	0.482	33%	0.33	S	S	.	.	S	Bend	trans	-96.8	95	-177.3	-69.6	144.5	0	0	0	109.6	N423 E428 L432	N423-L426 VanDerWaalsContact O-O 3.12Å; L426-E428 PolarHBondContact O-N 3.34Å; L426-L432 HydrophobicContact CD1-CD1 3.85Å; L426-L432 HydrophobicContact CD2-CD1 4.33Å; L426-L432 HydrophobicContact CG-CD1 4.49Å
427	S	43.5	Very low	56.2	Low	120 Å²	120	66.4 Å²	66.4	84%	0.839	36%	0.357	S	S	*	.			trans	-74.3	30.7	-159.1	64.4	0	0	0	0	117.8
428	E	47.6	Very low	55.6	Low	154 Å²	154	66.7 Å²	66.7	72%	0.72	36%	0.355	S	S	*	.	S	Bend	trans	-135.5	148.3	173.4	-64.6	-167.6	162	0	0	110.1	L426 I430	L426-E428 PolarHBondContact O-N 3.34Å; E428-I430 PolarHBondContact O-N 3.17Å
429	G	50.3	Low	55	Low	69 Å²	69	69.4 Å²	69.4	71%	0.711	38%	0.375	S	S	*	.	S	Bend	trans	-72.9	60.7	-169.6	0	0	0	0	0	114.8
430	I	52.8	Low	54.9	Low	77 Å²	77	70 Å²	70	40%	0.395	38%	0.379	S	S	.	.			trans	-131.8	112.8	-179.1	-57	176.4	0	0	0	107	N423 E428 L432 T440	N423-I430 PolarHBondContact OD1-O 3.45Å; E428-I430 PolarHBondContact O-N 3.17Å; I430-L432 PolarHBondContact O-N 3.36Å; I430-T440 CarbonylContact C-O 3.51Å; I430-T440 WeakPolarHBondContact CA-O 3.47Å
431	Y	55.8	Low	54.4	Low	69 Å²	69	67.5 Å²	67.5	27%	0.271	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	109.2	172.1	-59.7	-81.2	0	0	0	109.4	S439 T440 Q442 I443	Y431-S439 WeakPolarHBondContact O-CA 3.4Å; Y431-T440 PolarHBondContact N-O 2.87Å; Y431-T440 PolarHBondContact O-N 2.71Å; Y431-Q442 VanDerWaalsContact CD2-C 3.41Å; Y431-I443 HydrophobicContact CD1-CB 4.33Å; Y431-I443 HydrophobicContact CD1-CD1 4.47Å; Y431-I443 HydrophobicContact CD1-CG1 4.25Å; Y431-I443 HydrophobicContact CD2-CB 4.33Å; Y431-I443 HydrophobicContact CE1-CB 3.93Å; Y431-I443 HydrophobicContact CE1-CD1 3.93Å; Y431-I443 HydrophobicContact CE1-CG1 4.03Å; Y431-I443 HydrophobicContact CE2-CB 3.94Å
432	L	52	Low	54.1	Low	67 Å²	67	72 Å²	72	35%	0.351	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	142.9	173.8	-74.8	147.7	0	0	0	110.8	N423 L426 I430	N423-L432 PolarHBondContact OD1-N 3.14Å; L426-L432 HydrophobicContact CD1-CD1 3.85Å; L426-L432 HydrophobicContact CD2-CD1 4.33Å; L426-L432 HydrophobicContact CG-CD1 4.49Å; I430-L432 PolarHBondContact O-N 3.36Å
433	C	58.1	Low	54.4	Low	9 Å²	9	72.1 Å²	72.1	6%	0.061	40%	0.402	C	S	.	.			trans	-78.9	138.2	161.1	-169.8	0	0	0	0	109.1	Y435 C436 Y438 L446 H449	C433-Y435 VanDerWaalsContact C-N 3.33Å; C433-Y435 PolarHBondContact SG-N 3.45Å; C433-Y435 VanDerWaalsContact SG-N 3.45Å; C433-C436 VanDerWaalsContact O-O 3.08Å; C433-Y438 PolarHBondContact N-O 3.49Å; C433-L446 HydrophobicContact CB-CD1 3.98Å; C433-H449 PolarHBondContact SG-NE2 2.92Å
434	Q	50.6	Low	55	Low	72 Å²	72	76.4 Å²	76.4	34%	0.336	42%	0.422	S	S	.	.	S	Bend	trans	-79.9	-21.2	176.1	-167.8	177.8	-7.5	0	0	112.1	E330 L422	E330-Q434 VanDerWaalsContact CD-NE2 3.27Å; E330-Q434 PolarHBondContact OE1-NE2 2.73Å; E330-Q434 VanDerWaalsContact OE1-NE2 3.08Å; E330-Q434 PolarHBondContact OE2-NE2 3.05Å; L422-Q434 HydrophobicContact CD1-CG 4.23Å; L422-Q434 VanDerWaalsContact CD1-OE1 3.29Å
435	Y	53.7	Low	55.3	Low	32 Å²	32	76 Å²	76	13%	0.125	41%	0.413	C	S	.	.	S	Bend	trans	-98.6	-10.6	-170.4	-63	-49.8	0	0	0	114.8	M415 C433 L450 H454 L466	M415-Y435 HydrophobicContact CE-CE2 4.23Å; M415-Y435 WeakPolarHBondContact CE-OH 3.43Å; C433-Y435 VanDerWaalsContact C-N 3.33Å; C433-Y435 PolarHBondContact SG-N 3.45Å; C433-Y435 VanDerWaalsContact SG-N 3.45Å; Y435-L450 HydrophobicContact CD2-CD2 3.96Å; Y435-L450 HydrophobicContact CE2-CD2 4.33Å; Y435-H454 WeakPolarHBondContact CB-CE1 3.26Å; Y435-H454 WeakPolarHBondContact CB-ND1 3.2Å; Y435-H454 HydrophobicContact CD2-CB 3.99Å; Y435-H454 AromaticContact CD2-CG 3.81Å; Y435-L466 HydrophobicContact CD1-CB 3.9Å; Y435-L466 HydrophobicContact CD1-CD1 3.46Å; Y435-L466 VanDerWaalsContact CD1-CD1 3.46Å; Y435-L466 HydrophobicContact CD1-CG 4.3Å; Y435-L466 HydrophobicContact CE1-CD1 3.87Å; Y435-L466 HydrophobicContact CG-CB 4.2Å
436	C	57.6	Low	55.9	Low	31 Å²	31	72.4 Å²	72.4	21%	0.209	40%	0.397	C	S	.	.	S	Bend	trans	-162.4	171.9	174.8	67.8	0	0	0	0	110.9	C433 Y438 H449 H454 M467	C433-C436 VanDerWaalsContact O-O 3.08Å; C436-Y438 PolarHBondContact O-N 3.35Å; C436-Y438 VanDerWaalsContact SG-CB 3.53Å; C436-H449 PolarHBondContact SG-CE1 3.48Å; C436-H449 PolarHBondContact SG-NE2 3.35Å; C436-H449 VanDerWaalsContact SG-NE2 3.36Å; C436-H454 PolarHBondContact SG-NE2 2.92Å; C436-M467 HydrophobicContact CB-CG 4.14Å; C436-M467 HydrophobicContact CB-SD 3.96Å
437	E	52.9	Low	56.8	Low	184 Å²	184	73 Å²	73	86%	0.86	40%	0.395	S	S	*	.	S	Bend	trans	-69	10.7	-179.4	-53.5	-171.8	151.5	0	0	115.1
438	Y	51.6	Low	58.2	Low	87 Å²	87	71.6 Å²	71.6	34%	0.341	38%	0.378	S	S	.	.			trans	-70.1	137	179.1	-177	-100.7	0	0	0	111.8	C433 C436 T440 L446 H449	C433-Y438 PolarHBondContact N-O 3.49Å; C436-Y438 PolarHBondContact O-N 3.35Å; C436-Y438 VanDerWaalsContact SG-CB 3.53Å; Y438-T440 HydrophobicContact CE1-CG2 3.78Å; Y438-L446 HydrophobicContact CD1-CD1 4.41Å; Y438-H449 VanDerWaalsContact CB-CE1 3.46Å; Y438-H449 WeakPolarHBondContact CB-CE1 3.02Å; Y438-H449 HydrophobicContact CD1-CB 3.84Å; Y438-H449 AromaticContact CD1-CD2 3.53Å; Y438-H449 AromaticContact CD1-CE1 3.82Å; Y438-H449 AromaticContact CD1-CG 3.33Å; Y438-H449 AromaticContact CD1-ND1 3.52Å; Y438-H449 AromaticContact CD1-NE2 3.82Å; Y438-H449 HydrophobicContact CE1-CB 3.6Å; Y438-H449 AromaticContact CE1-CG 3.64Å; Y438-H449 AromaticContact CG-CE1 3.61Å; Y438-H449 AromaticContact CG-CG 3.87Å; Y438-H449 AromaticContact CG-ND1 3.55Å; Y438-H449 AromaticContact CG-NE2 3.95Å
439	S	53.2	Low	59.4	Low	61 Å²	61	65.2 Å²	65.2	43%	0.427	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	146.9	177.3	58.8	0	0	0	0	111.7	Y431	Y431-S439 WeakPolarHBondContact O-CA 3.4Å
440	T	57.1	Low	60.3	Low	16 Å²	16	62.9 Å²	62.9	10%	0.098	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	152.4	-177.9	175.7	0	0	0	0	112.3	I430 Y431 Y438 Q442 D445 L446	I430-T440 CarbonylContact C-O 3.51Å; I430-T440 WeakPolarHBondContact CA-O 3.47Å; Y431-T440 PolarHBondContact N-O 2.87Å; Y431-T440 PolarHBondContact O-N 2.71Å; Y438-T440 HydrophobicContact CE1-CG2 3.78Å; T440-Q442 VanDerWaalsContact C-N 3.32Å; T440-Q442 VanDerWaalsContact CG2-O 3.25Å; T440-Q442 WeakPolarHBondContact CG2-O 3.49Å; T440-Q442 PolarHBondContact OG1-N 2.91Å; T440-D445 HydrophobicContact CG2-CB 3.84Å; T440-D445 WeakPolarHBondContact OG1-CB 3.25Å; T440-D445 PolarHBondContact OG1-OD2 3.33Å; T440-L446 HydrophobicContact CG2-CB 3.89Å
441	G	53	Low	61.1	Low	47 Å²	47	63.5 Å²	63.5	49%	0.485	32%	0.323	S	S	.	.	S	Bend	trans	-81.2	-2.9	175.6	0	0	0	0	0	115.1
442	Q	61.5	Low	61.7	Low	113 Å²	113	67.2 Å²	67.2	53%	0.528	34%	0.341	S	S	.	.			trans	-127	141.9	-177.4	-59.8	-67.6	1.6	0	0	111.8	Y431 T440 D445 L446	Y431-Q442 VanDerWaalsContact CD2-C 3.41Å; T440-Q442 VanDerWaalsContact C-N 3.32Å; T440-Q442 VanDerWaalsContact CG2-O 3.25Å; T440-Q442 WeakPolarHBondContact CG2-O 3.49Å; T440-Q442 PolarHBondContact OG1-N 2.91Å; Q442-D445 HydrophobicContact CB-CB 4.4Å; Q442-D445 PolarHBondContact O-N 3.31Å; Q442-L446 PolarHBondContact O-N 2.98Å
443	I	63.4	Low	62.2	Low	32 Å²	32	67.1 Å²	67.1	16%	0.164	34%	0.338	C	S	.	.	H	α-helix	trans	-78.1	-28.8	-175.4	-165.8	167.2	0	0	0	112.5	L416 K420 Y431 D445 L446 K447	L416-I443 HydrophobicContact CD1-CD1 4.29Å; L416-I443 HydrophobicContact CD1-CG1 4.31Å; K420-I443 HydrophobicContact CD-CD1 3.99Å; K420-I443 HydrophobicContact CG-CD1 3.56Å; Y431-I443 HydrophobicContact CD1-CB 4.33Å; Y431-I443 HydrophobicContact CD1-CD1 4.47Å; Y431-I443 HydrophobicContact CD1-CG1 4.25Å; Y431-I443 HydrophobicContact CD2-CB 4.33Å; Y431-I443 HydrophobicContact CE1-CB 3.93Å; Y431-I443 HydrophobicContact CE1-CD1 3.93Å; Y431-I443 HydrophobicContact CE1-CG1 4.03Å; Y431-I443 HydrophobicContact CE2-CB 3.94Å; I443-D445 VanDerWaalsContact C-N 3.3Å; I443-D445 PolarHBondContact O-N 3.38Å; I443-L446 PolarHBondContact O-N 3.5Å; I443-K447 WeakPolarHBondContact O-CB 3.35Å; I443-K447 PolarHBondContact O-N 3.36Å
444	E	73.1	Confident	62.5	Low	115 Å²	115	67.9 Å²	67.9	54%	0.537	34%	0.34	S	S	.	.	H	α-helix	trans	-61.8	-40.8	174.2	-66.7	70	-156.2	0	0	110.8	K447 I448	E444-K447 PolarHBondContact O-N 3.39Å; E444-I448 WeakPolarHBondContact O-CB 3.43Å; E444-I448 VanDerWaalsContact O-CG1 3.26Å; E444-I448 WeakPolarHBondContact O-CG1 3.25Å; E444-I448 PolarHBondContact O-N 3.4Å
445	D	65.6	Low	63.3	Low	71 Å²	71	66 Å²	66	38%	0.38	34%	0.335	S	S	.	.	H	α-helix	trans	-67.6	-40.5	177.3	-67.5	-22	0	0	0	111.5	T440 Q442 I443 K447 I448 H449	T440-D445 HydrophobicContact CG2-CB 3.84Å; T440-D445 WeakPolarHBondContact OG1-CB 3.25Å; T440-D445 PolarHBondContact OG1-OD2 3.33Å; Q442-D445 HydrophobicContact CB-CB 4.4Å; Q442-D445 PolarHBondContact O-N 3.31Å; I443-D445 VanDerWaalsContact C-N 3.3Å; I443-D445 PolarHBondContact O-N 3.38Å; D445-K447 VanDerWaalsContact C-N 3.35Å; D445-I448 PolarHBondContact O-N 3.21Å; D445-H449 VanDerWaalsContact O-CB 3.27Å; D445-H449 WeakPolarHBondContact O-CB 3.37Å; D445-H449 PolarHBondContact O-N 3.46Å
446	L	67.7	Low	63.5	Low	2 Å²	2	68 Å²	68	1%	0.01	36%	0.358	C	S	.	.	H	α-helix	trans	-65.1	-41	174.4	179.5	64.7	0	0	0	110.7	C419 C433 Y438 T440 Q442 I443 H449 L450	C419-L446 HydrophobicContact CB-CD2 4.22Å; C433-L446 HydrophobicContact CB-CD1 3.98Å; Y438-L446 HydrophobicContact CD1-CD1 4.41Å; T440-L446 HydrophobicContact CG2-CB 3.89Å; Q442-L446 PolarHBondContact O-N 2.98Å; I443-L446 PolarHBondContact O-N 3.5Å; L446-H449 WeakPolarHBondContact O-CB 3.26Å; L446-H449 PolarHBondContact O-N 3.26Å; L446-L450 HydrophobicContact CD1-CD1 4.47Å; L446-L450 HydrophobicContact CD1-CG 4.32Å; L446-L450 HydrophobicContact CG-CD1 4.12Å; L446-L450 HydrophobicContact CG-CG 4.41Å; L446-L450 WeakPolarHBondContact O-CG 3.46Å; L446-L450 PolarHBondContact O-N 3.19Å
447	K	71.6	Confident	63.9	Low	104 Å²	104	73.6 Å²	73.6	45%	0.452	39%	0.386	S	S	.	.	H	α-helix	trans	-62.2	-48	177.4	-174.1	-176.7	175.1	-173.4	0	111.4	I443 E444 D445 H449 L450 D451	I443-K447 WeakPolarHBondContact O-CB 3.35Å; I443-K447 PolarHBondContact O-N 3.36Å; E444-K447 PolarHBondContact O-N 3.39Å; D445-K447 VanDerWaalsContact C-N 3.35Å; K447-H449 VanDerWaalsContact C-N 3.29Å; K447-H449 PolarHBondContact O-N 2.88Å; K447-L450 PolarHBondContact O-N 3.37Å; K447-D451 WeakPolarHBondContact CE-OD2 3.45Å; K447-D451 WeakPolarHBondContact O-CB 3.32Å; K447-D451 VanDerWaalsContact O-CG 3.32Å; K447-D451 PolarHBondContact O-N 2.9Å
448	I	73.3	Confident	64.6	Low	92 Å²	92	66.2 Å²	66.2	47%	0.472	35%	0.352	S	S	.	.	H	α-helix	trans	-58.8	-43.8	175	-70.1	165.8	0	0	0	110	E444 D445 L450 D451 F452	E444-I448 WeakPolarHBondContact O-CB 3.43Å; E444-I448 VanDerWaalsContact O-CG1 3.26Å; E444-I448 WeakPolarHBondContact O-CG1 3.25Å; E444-I448 PolarHBondContact O-N 3.4Å; D445-I448 PolarHBondContact O-N 3.21Å; I448-L450 PolarHBondContact O-N 2.83Å; I448-D451 PolarHBondContact O-N 3.32Å; I448-F452 HydrophobicContact CG2-CD2 3.76Å; I448-F452 HydrophobicContact CG2-CE2 4.18Å; I448-F452 WeakPolarHBondContact O-CB 3.43Å; I448-F452 VanDerWaalsContact O-CD2 3.32Å; I448-F452 WeakPolarHBondContact O-CD2 3.27Å; I448-F452 PolarHBondContact O-N 3.02Å
449	H	73.3	Confident	65.5	Low	20 Å²	20	66.6 Å²	66.6	9%	0.093	37%	0.365	C	S	.	.	H	α-helix	trans	-58.7	-48.3	176.3	167.3	80.7	0	0	0	112.5	C433 C436 Y438 D445 L446 K447 F452 K453 H454	C433-H449 PolarHBondContact SG-NE2 2.92Å; C436-H449 PolarHBondContact SG-CE1 3.48Å; C436-H449 PolarHBondContact SG-NE2 3.35Å; C436-H449 VanDerWaalsContact SG-NE2 3.36Å; Y438-H449 VanDerWaalsContact CB-CE1 3.46Å; Y438-H449 WeakPolarHBondContact CB-CE1 3.02Å; Y438-H449 HydrophobicContact CD1-CB 3.84Å; Y438-H449 AromaticContact CD1-CD2 3.53Å; Y438-H449 AromaticContact CD1-CE1 3.82Å; Y438-H449 AromaticContact CD1-CG 3.33Å; Y438-H449 AromaticContact CD1-ND1 3.52Å; Y438-H449 AromaticContact CD1-NE2 3.82Å; Y438-H449 HydrophobicContact CE1-CB 3.6Å; Y438-H449 AromaticContact CE1-CG 3.64Å; Y438-H449 AromaticContact CG-CE1 3.61Å; Y438-H449 AromaticContact CG-CG 3.87Å; Y438-H449 AromaticContact CG-ND1 3.55Å; Y438-H449 AromaticContact CG-NE2 3.95Å; D445-H449 VanDerWaalsContact O-CB 3.27Å; D445-H449 WeakPolarHBondContact O-CB 3.37Å; D445-H449 PolarHBondContact O-N 3.46Å; L446-H449 WeakPolarHBondContact O-CB 3.26Å; L446-H449 PolarHBondContact O-N 3.26Å; K447-H449 VanDerWaalsContact C-N 3.29Å; K447-H449 PolarHBondContact O-N 2.88Å; H449-F452 PolarHBondContact O-N 3.42Å; H449-K453 VanDerWaalsContact O-CB 3.32Å; H449-K453 WeakPolarHBondContact O-CB 3.49Å; H449-K453 PolarHBondContact O-N 2.88Å; H449-H454 AromaticContact CD2-CD2 3.95Å; H449-H454 AromaticContact CE1-NE2 3.67Å; H449-H454 AromaticContact NE2-CD2 3.39Å; H449-H454 PolarHBondContact NE2-CD2 3.17Å; H449-H454 AromaticContact NE2-NE2 3.19Å; H449-H454 PolarHBondContact NE2-NE2 3.5Å; H449-H454 VanDerWaalsContact NE2-NE2 3.19Å
450	L	68.4	Low	66.2	Low	19 Å²	19	66.7 Å²	66.7	10%	0.099	36%	0.359	C	S	.	.	H	α-helix	trans	-60.6	-49.6	176.2	-69.1	169.1	0	0	0	111.4	Y435 L446 K447 I448 F452 H454 S455	Y435-L450 HydrophobicContact CD2-CD2 3.96Å; Y435-L450 HydrophobicContact CE2-CD2 4.33Å; L446-L450 HydrophobicContact CD1-CD1 4.47Å; L446-L450 HydrophobicContact CD1-CG 4.32Å; L446-L450 HydrophobicContact CG-CD1 4.12Å; L446-L450 HydrophobicContact CG-CG 4.41Å; L446-L450 WeakPolarHBondContact O-CG 3.46Å; L446-L450 PolarHBondContact O-N 3.19Å; K447-L450 PolarHBondContact O-N 3.37Å; I448-L450 PolarHBondContact O-N 2.83Å; L450-F452 VanDerWaalsContact C-N 3.3Å; L450-F452 PolarHBondContact O-N 2.9Å; L450-H454 HydrophobicContact CD2-CB 4.35Å; L450-H454 CarbonylContact O-C 3.53Å; L450-H454 WeakPolarHBondContact O-CA 3.4Å; L450-H454 PolarHBondContact O-N 3.27Å; L450-S455 PolarHBondContact O-N 3.4Å
451	D	69.3	Low	66.9	Low	91 Å²	91	70 Å²	70	49%	0.487	37%	0.372	S	S	.	.	H	α-helix	trans	-62.5	-32.7	-179.3	-69.8	-18.1	0	0	0	112.5	K447 I448 S455	K447-D451 WeakPolarHBondContact CE-OD2 3.45Å; K447-D451 WeakPolarHBondContact O-CB 3.32Å; K447-D451 VanDerWaalsContact O-CG 3.32Å; K447-D451 PolarHBondContact O-N 2.9Å; I448-D451 PolarHBondContact O-N 3.32Å; D451-S455 WeakPolarHBondContact O-CB 3.42Å
452	F	68.1	Low	67.9	Low	147 Å²	147	67.9 Å²	67.9	65%	0.645	35%	0.35	S	S	*	.	H	α-helix	trans	-102.4	-11.6	-176.7	-79.4	-85.5	0	0	0	116.1	I448 H449 L450 L458	I448-F452 HydrophobicContact CG2-CD2 3.76Å; I448-F452 HydrophobicContact CG2-CE2 4.18Å; I448-F452 WeakPolarHBondContact O-CB 3.43Å; I448-F452 VanDerWaalsContact O-CD2 3.32Å; I448-F452 WeakPolarHBondContact O-CD2 3.27Å; I448-F452 PolarHBondContact O-N 3.02Å; H449-F452 PolarHBondContact O-N 3.42Å; L450-F452 VanDerWaalsContact C-N 3.3Å; L450-F452 PolarHBondContact O-N 2.9Å; F452-L458 VanDerWaalsContact O-CD1 3.31Å; F452-L458 WeakPolarHBondContact O-CD1 3.5Å
453	K	63.7	Low	68.1	Low	65 Å²	65	66.7 Å²	66.7	28%	0.283	35%	0.354	S	S	.	.	H	α-helix	trans	-128.9	-13.8	-179.3	-64.5	-62.2	178.5	-170.3	0	115.2	H449 M467 R468 E474	H449-K453 VanDerWaalsContact O-CB 3.32Å; H449-K453 WeakPolarHBondContact O-CB 3.49Å; H449-K453 PolarHBondContact O-N 2.88Å; K453-M467 HydrophobicContact CB-CE 3.93Å; K453-M467 HydrophobicContact CB-SD 4.03Å; K453-M467 HydrophobicContact CD-CE 3.83Å; K453-M467 HydrophobicContact CG-CE 4.02Å; K453-R468 PolarHBondContact O-N 3.5Å; K453-E474 IonicContact NZ-OE2 2.77Å
454	H	63.9	Low	67.9	Low	25 Å²	25	69.9 Å²	69.9	12%	0.116	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.3	-3.6	178.6	-62.4	-68	0	0	0	113.7	Y435 C436 H449 L450 A456 L466 M467	Y435-H454 WeakPolarHBondContact CB-CE1 3.26Å; Y435-H454 WeakPolarHBondContact CB-ND1 3.2Å; Y435-H454 HydrophobicContact CD2-CB 3.99Å; Y435-H454 AromaticContact CD2-CG 3.81Å; C436-H454 PolarHBondContact SG-NE2 2.92Å; H449-H454 AromaticContact CD2-CD2 3.95Å; H449-H454 AromaticContact CE1-NE2 3.67Å; H449-H454 AromaticContact NE2-CD2 3.39Å; H449-H454 PolarHBondContact NE2-CD2 3.17Å; H449-H454 AromaticContact NE2-NE2 3.19Å; H449-H454 PolarHBondContact NE2-NE2 3.5Å; H449-H454 VanDerWaalsContact NE2-NE2 3.19Å; L450-H454 HydrophobicContact CD2-CB 4.35Å; L450-H454 CarbonylContact O-C 3.53Å; L450-H454 WeakPolarHBondContact O-CA 3.4Å; L450-H454 PolarHBondContact O-N 3.27Å; H454-A456 PolarHBondContact O-N 2.85Å; H454-L466 PolarHBondContact ND1-O 3.41Å; H454-M467 PolarHBondContact CE1-SD 3.48Å; H454-M467 PolarHBondContact NE2-SD 3.22Å
455	S	67.3	Low	67.6	Low	31 Å²	31	65.4 Å²	65.4	22%	0.217	35%	0.352	C	S	.	.			trans	-56.8	136.6	174.7	175.3	0	0	0	0	112.7	L450 D451 D457 L458 R468	L450-S455 PolarHBondContact O-N 3.4Å; D451-S455 WeakPolarHBondContact O-CB 3.42Å; S455-D457 PolarHBondContact O-N 3.18Å; S455-D457 PolarHBondContact OG-N 3.23Å; S455-L458 WeakPolarHBondContact O-CB 3.08Å; S455-L458 PolarHBondContact O-N 3.47Å; S455-R468 WeakPolarHBondContact O-CD 3.44Å
456	A	58	Low	67.4	Low	75 Å²	75	64 Å²	64	62%	0.62	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-21	175.7	0	0	0	0	0	113.6	H454 L458 R468	H454-A456 PolarHBondContact O-N 2.85Å; A456-L458 PolarHBondContact O-N 2.95Å; A456-R468 PolarHBondContact O-NH1 3.03Å
457	D	65.3	Low	67.1	Low	148 Å²	148	64.9 Å²	64.9	79%	0.791	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-12.3	179	-62.4	-35.1	0	0	0	113.5	S455	S455-D457 PolarHBondContact O-N 3.18Å; S455-D457 PolarHBondContact OG-N 3.23Å
458	L	67.9	Low	67	Low	30 Å²	30	63.2 Å²	63.2	16%	0.157	34%	0.34	C	S	.	.			trans	-84.6	118.3	179.6	-69.4	160.6	0	0	0	110.3	F452 S455 A456 H460 R468	F452-L458 VanDerWaalsContact O-CD1 3.31Å; F452-L458 WeakPolarHBondContact O-CD1 3.5Å; S455-L458 WeakPolarHBondContact O-CB 3.08Å; S455-L458 PolarHBondContact O-N 3.47Å; A456-L458 PolarHBondContact O-N 2.95Å; L458-H460 PolarHBondContact O-N 2.83Å; L458-R468 HydrophobicContact CB-CB 3.58Å; L458-R468 HydrophobicContact CD1-CB 4.06Å; L458-R468 HydrophobicContact CG-CB 4.48Å; L458-R468 PolarHBondContact O-NH1 3.01Å
459	P	70.1	Confident	67	Low	94 Å²	94	59.3 Å²	59.3	61%	0.61	32%	0.319	S	S	*	.	S	Bend	trans	-75.5	-18.9	-164.1	25.4	-33.2	0	0	0	115.9
460	H	68.8	Low	66.9	Low	63 Å²	63	60.2 Å²	60.2	29%	0.292	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	109.1	-176.7	-58	-85.5	0	0	0	111.3	L458 R468 F469 N471 E472 L475	L458-H460 PolarHBondContact O-N 2.83Å; H460-R468 CarbonylContact O-C 3.36Å; H460-R468 VanDerWaalsContact O-CA 3.31Å; H460-R468 WeakPolarHBondContact O-CA 3.1Å; H460-F469 HydrophobicContact CB-CB 4.36Å; H460-F469 PolarHBondContact N-O 3.33Å; H460-F469 PolarHBondContact O-N 3.35Å; H460-N471 WeakPolarHBondContact CD2-CA 3.48Å; H460-E472 PolarHBondContact CD2-N 2.92Å; H460-E472 VanDerWaalsContact CD2-N 3.32Å; H460-E472 PolarHBondContact NE2-N 2.78Å; H460-L475 HydrophobicContact CB-CB 4.39Å; H460-L475 HydrophobicContact CB-CD2 4.1Å
461	K	71.5	Confident	67.3	Low	85 Å²	85	62.2 Å²	62.2	37%	0.37	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	145.6	177.3	-179.1	178.1	172.5	173.9	0	110.9	L466 R468 L475	K461-L466 VanDerWaalsContact NZ-CD2 3.34Å; K461-R468 HydrophobicContact CB-CG 4.16Å; K461-R468 HydrophobicContact CG-CG 4.32Å; K461-L475 WeakPolarHBondContact O-CD2 3.44Å
462	C	73.5	Confident	67.6	Low	3 Å²	3	63.7 Å²	63.7	2%	0.02	35%	0.349	C	S	.	.			trans	-77.6	144.9	169	-176.5	0	0	0	0	111.6	D464 C465 M467 F469 L475 H482	C462-D464 PolarHBondContact SG-N 3.36Å; C462-C465 CarbonylContact C-O 3.56Å; C462-C465 WeakPolarHBondContact CB-O 3.32Å; C462-M467 HydrophobicContact CB-CB 4.49Å; C462-M467 PolarHBondContact N-O 2.23Å; C462-F469 HydrophobicContact CB-CE2 4.35Å; C462-L475 HydrophobicContact CB-CD1 3.78Å; C462-H482 PolarHBondContact SG-NE2 3.3Å
463	S	65.5	Low	68	Low	89 Å²	89	66.8 Å²	66.8	62%	0.622	36%	0.357	S	S	*	.	S	Bend	trans	-71.4	-36.2	175.2	47.6	0	0	0	0	112.5
464	D	60.7	Low	68.5	Low	99 Å²	99	67.1 Å²	67.1	53%	0.529	36%	0.359	S	S	.	.	S	Bend	trans	-101	-10.8	-163.8	-45	-25.6	0	0	0	112.2	C462 H482	C462-D464 PolarHBondContact SG-N 3.36Å; D464-H482 HydrophobicContact CB-CB 4.23Å; D464-H482 IonicContact OD2-CD2 3.85Å; D464-H482 IonicContact OD2-CG 3.74Å
465	C	66.3	Low	69.1	Low	20 Å²	20	67.1 Å²	67.1	14%	0.135	36%	0.36	C	S	.	.	S	Bend	trans	-151.7	171	169.2	72.1	0	0	0	0	111.4	C462 M467 H478 H482	C462-C465 CarbonylContact C-O 3.56Å; C462-C465 WeakPolarHBondContact CB-O 3.32Å; C465-M467 PolarHBondContact O-N 3Å; C465-M467 VanDerWaalsContact O-N 3.17Å; C465-M467 WeakPolarHBondContact SG-CG 3.31Å; C465-H478 PolarHBondContact SG-NE2 2.84Å; C465-H482 WeakPolarHBondContact CB-CE1 3.34Å; C465-H482 PolarHBondContact SG-CE1 3.2Å; C465-H482 PolarHBondContact SG-NE2 3.26Å
466	L	61.3	Low	69.7	Low	42 Å²	42	70.4 Å²	70.4	22%	0.22	37%	0.374	C	S	.	.	S	Bend	trans	-85.5	16.2	-173.1	-63.3	166.6	0	0	0	113.3	D328 Y435 H454 K461	D328-L466 HydrophobicContact CB-CD1 4.36Å; D328-L466 WeakPolarHBondContact OD2-CD1 3.31Å; Y435-L466 HydrophobicContact CD1-CB 3.9Å; Y435-L466 HydrophobicContact CD1-CD1 3.46Å; Y435-L466 VanDerWaalsContact CD1-CD1 3.46Å; Y435-L466 HydrophobicContact CD1-CG 4.3Å; Y435-L466 HydrophobicContact CE1-CD1 3.87Å; Y435-L466 HydrophobicContact CG-CB 4.2Å; H454-L466 PolarHBondContact ND1-O 3.41Å; K461-L466 VanDerWaalsContact NZ-CD2 3.34Å
467	M	61.2	Low	70.5	Confident	20 Å²	20	71 Å²	71	10%	0.099	37%	0.373	C	S	.	.			trans	-68.1	137.8	172.1	-69.7	-75.4	-69.7	0	0	111.7	C436 K453 H454 C462 C465 F469	C436-M467 HydrophobicContact CB-CG 4.14Å; C436-M467 HydrophobicContact CB-SD 3.96Å; K453-M467 HydrophobicContact CB-CE 3.93Å; K453-M467 HydrophobicContact CB-SD 4.03Å; K453-M467 HydrophobicContact CD-CE 3.83Å; K453-M467 HydrophobicContact CG-CE 4.02Å; H454-M467 PolarHBondContact CE1-SD 3.48Å; H454-M467 PolarHBondContact NE2-SD 3.22Å; C462-M467 HydrophobicContact CB-CB 4.49Å; C462-M467 PolarHBondContact N-O 2.23Å; C465-M467 PolarHBondContact O-N 3Å; C465-M467 VanDerWaalsContact O-N 3.17Å; C465-M467 WeakPolarHBondContact SG-CG 3.31Å; M467-F469 HydrophobicContact CB-CE2 3.7Å; M467-F469 HydrophobicContact CB-CZ 3.75Å; M467-F469 HydrophobicContact CE-CE1 4.14Å; M467-F469 HydrophobicContact CE-CZ 3.93Å
468	R	69.3	Low	71.1	Confident	69 Å²	69	65.2 Å²	65.2	26%	0.26	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	150.9	173.8	-65	179.1	159.6	-121	11.7	111.6	K453 S455 A456 L458 H460 K461	K453-R468 PolarHBondContact O-N 3.5Å; S455-R468 WeakPolarHBondContact O-CD 3.44Å; A456-R468 PolarHBondContact O-NH1 3.03Å; L458-R468 HydrophobicContact CB-CB 3.58Å; L458-R468 HydrophobicContact CD1-CB 4.06Å; L458-R468 HydrophobicContact CG-CB 4.48Å; L458-R468 PolarHBondContact O-NH1 3.01Å; H460-R468 CarbonylContact O-C 3.36Å; H460-R468 VanDerWaalsContact O-CA 3.31Å; H460-R468 WeakPolarHBondContact O-CA 3.1Å; K461-R468 HydrophobicContact CB-CG 4.16Å; K461-R468 HydrophobicContact CG-CG 4.32Å
469	F	73.1	Confident	71.5	Confident	10 Å²	10	66.6 Å²	66.6	4%	0.044	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	146.2	-169.9	-59.8	-81.7	0	0	0	111.4	H460 C462 M467 N471 E474 L475 H478	H460-F469 HydrophobicContact CB-CB 4.36Å; H460-F469 PolarHBondContact N-O 3.33Å; H460-F469 PolarHBondContact O-N 3.35Å; C462-F469 HydrophobicContact CB-CE2 4.35Å; M467-F469 HydrophobicContact CB-CE2 3.7Å; M467-F469 HydrophobicContact CB-CZ 3.75Å; M467-F469 HydrophobicContact CE-CE1 4.14Å; M467-F469 HydrophobicContact CE-CZ 3.93Å; F469-N471 PolarHBondContact O-N 3.12Å; F469-E474 HydrophobicContact CB-CB 3.98Å; F469-E474 HydrophobicContact CD1-CB 3.69Å; F469-E474 HydrophobicContact CG-CB 4.11Å; F469-L475 HydrophobicContact CB-CB 4.32Å; F469-L475 HydrophobicContact CD2-CB 3.82Å; F469-L475 HydrophobicContact CD2-CD1 3.89Å; F469-L475 HydrophobicContact CD2-CG 4.44Å; F469-L475 HydrophobicContact CE2-CD1 3.96Å; F469-L475 HydrophobicContact CG-CB 4.19Å; F469-H478 HydrophobicContact CE1-CB 4.02Å; F469-H478 HydrophobicContact CE2-CB 4.08Å; F469-H478 AromaticContact CE2-CD2 3.59Å; F469-H478 AromaticContact CE2-CG 3.93Å; F469-H478 HydrophobicContact CZ-CB 3.5Å; F469-H478 VanDerWaalsContact CZ-CB 3.5Å; F469-H478 AromaticContact CZ-CD2 3.44Å; F469-H478 VanDerWaalsContact CZ-CD2 3.44Å; F469-H478 WeakPolarHBondContact CZ-CD2 3.5Å; F469-H478 AromaticContact CZ-CG 3.35Å; F469-H478 AromaticContact CZ-ND1 3.99Å
470	G	73	Confident	71.9	Confident	39 Å²	39	65.1 Å²	65.1	40%	0.402	34%	0.339	S	S	.	.	S	Bend	trans	-74.1	-15.1	-179.7	0	0	0	0	0	113.7
471	N	75.9	Confident	71.9	Confident	61 Å²	61	65.7 Å²	65.7	33%	0.326	35%	0.347	S	S	.	.	S	Bend	trans	-154.1	155.8	177.7	57.6	78	0	0	0	111.2	H460 F469 R473 E474 L475	H460-N471 WeakPolarHBondContact CD2-CA 3.48Å; F469-N471 PolarHBondContact O-N 3.12Å; N471-R473 PolarHBondContact O-N 3.16Å; N471-R473 WeakPolarHBondContact OD1-CB 3.29Å; N471-R473 PolarHBondContact OD1-N 2.91Å; N471-E474 PolarHBondContact ND2-OE1 2.92Å; N471-E474 PolarHBondContact O-N 2.78Å; N471-E474 WeakPolarHBondContact OD1-CG 3.26Å; N471-E474 PolarHBondContact OD1-N 3.17Å; N471-L475 PolarHBondContact O-N 3.37Å
472	E	74.8	Confident	71.8	Confident	122 Å²	122	64.4 Å²	64.4	57%	0.57	34%	0.342	S	S	*	.	H	α-helix	trans	-58.7	-31.5	179.5	-168.3	-176.7	179.7	0	0	113.4	H460 L475 I476	H460-E472 PolarHBondContact CD2-N 2.92Å; H460-E472 VanDerWaalsContact CD2-N 3.32Å; H460-E472 PolarHBondContact NE2-N 2.78Å; E472-L475 WeakPolarHBondContact O-CB 3.4Å; E472-L475 PolarHBondContact O-N 3.45Å; E472-I476 HydrophobicContact CG-CD1 3.95Å; E472-I476 HydrophobicContact CG-CG1 4.46Å; E472-I476 WeakPolarHBondContact O-CG1 3.45Å; E472-I476 PolarHBondContact O-N 3.08Å
473	R	77.8	Confident	71.3	Confident	213 Å²	213	72 Å²	72	80%	0.804	38%	0.378	S	S	*	.	H	α-helix	trans	-68	-37.4	-178.5	-170	-179.1	-64.6	162	1.7	112.2	N471 S477	N471-R473 PolarHBondContact O-N 3.16Å; N471-R473 WeakPolarHBondContact OD1-CB 3.29Å; N471-R473 PolarHBondContact OD1-N 2.91Å; R473-S477 WeakPolarHBondContact O-CB 3.48Å; R473-S477 PolarHBondContact O-N 2.94Å
474	E	73.5	Confident	70.7	Confident	71 Å²	71	73.5 Å²	73.5	33%	0.332	38%	0.383	S	S	.	.	H	α-helix	trans	-66.3	-42	172.1	-77.7	171.5	-142.5	0	0	111.6	K453 F469 N471 S477 H478	K453-E474 IonicContact NZ-OE2 2.77Å; F469-E474 HydrophobicContact CB-CB 3.98Å; F469-E474 HydrophobicContact CD1-CB 3.69Å; F469-E474 HydrophobicContact CG-CB 4.11Å; N471-E474 PolarHBondContact ND2-OE1 2.92Å; N471-E474 PolarHBondContact O-N 2.78Å; N471-E474 WeakPolarHBondContact OD1-CG 3.26Å; N471-E474 PolarHBondContact OD1-N 3.17Å; E474-S477 WeakPolarHBondContact CA-OG 3.34Å; E474-S477 PolarHBondContact O-N 3.38Å; E474-S477 PolarHBondContact O-OG 3.05Å; E474-H478 PolarHBondContact O-N 3.06Å; E474-H478 VanDerWaalsContact O-N 3.13Å
475	L	76.7	Confident	69.8	Low	26 Å²	26	76.7 Å²	76.7	14%	0.136	41%	0.406	C	S	.	.	H	α-helix	trans	-59.4	-50.2	174.2	171.5	59.6	0	0	0	111.3	H460 K461 C462 F469 N471 E472 S477 H478 L479	H460-L475 HydrophobicContact CB-CB 4.39Å; H460-L475 HydrophobicContact CB-CD2 4.1Å; K461-L475 WeakPolarHBondContact O-CD2 3.44Å; C462-L475 HydrophobicContact CB-CD1 3.78Å; F469-L475 HydrophobicContact CB-CB 4.32Å; F469-L475 HydrophobicContact CD2-CB 3.82Å; F469-L475 HydrophobicContact CD2-CD1 3.89Å; F469-L475 HydrophobicContact CD2-CG 4.44Å; F469-L475 HydrophobicContact CE2-CD1 3.96Å; F469-L475 HydrophobicContact CG-CB 4.19Å; N471-L475 PolarHBondContact O-N 3.37Å; E472-L475 WeakPolarHBondContact O-CB 3.4Å; E472-L475 PolarHBondContact O-N 3.45Å; L475-S477 PolarHBondContact O-N 3.5Å; L475-H478 WeakPolarHBondContact O-CA 3.31Å; L475-H478 WeakPolarHBondContact O-CB 3.46Å; L475-H478 PolarHBondContact O-N 3.13Å; L475-L479 HydrophobicContact CD1-CD2 4.14Å; L475-L479 HydrophobicContact CD1-CG 4.42Å; L475-L479 PolarHBondContact O-N 2.9Å
476	I	79.4	Confident	70	Confident	99 Å²	99	79.5 Å²	79.5	51%	0.508	42%	0.42	S	S	.	.	H	α-helix	trans	-59.6	-33.8	177.2	-68	166.1	0	0	0	111.5	E472 H478 P480	E472-I476 HydrophobicContact CG-CD1 3.95Å; E472-I476 HydrophobicContact CG-CG1 4.46Å; E472-I476 WeakPolarHBondContact O-CG1 3.45Å; E472-I476 PolarHBondContact O-N 3.08Å; I476-H478 VanDerWaalsContact C-N 3.25Å; I476-H478 PolarHBondContact O-N 3.42Å; I476-P480 VanDerWaalsContact O-CD 3.31Å; I476-P480 WeakPolarHBondContact O-CD 3.34Å
477	S	76	Confident	70.5	Confident	88 Å²	88	81.5 Å²	81.5	62%	0.615	43%	0.43	S	S	*	.	H	α-helix	trans	-73	-16	174.9	75.8	0	0	0	0	114.3	R473 E474 L475	R473-S477 WeakPolarHBondContact O-CB 3.48Å; R473-S477 PolarHBondContact O-N 2.94Å; E474-S477 WeakPolarHBondContact CA-OG 3.34Å; E474-S477 PolarHBondContact O-N 3.38Å; E474-S477 PolarHBondContact O-OG 3.05Å; L475-S477 PolarHBondContact O-N 3.5Å
478	H	77.8	Confident	71	Confident	26 Å²	26	84.9 Å²	84.9	12%	0.12	45%	0.448	C	S	.	.	H	α-helix	trans	-95.5	-32.4	-179.7	171.8	67.7	0	0	0	113.3	C465 F469 E474 L475 I476 P480 V481 H482	C465-H478 PolarHBondContact SG-NE2 2.84Å; F469-H478 HydrophobicContact CE1-CB 4.02Å; F469-H478 HydrophobicContact CE2-CB 4.08Å; F469-H478 AromaticContact CE2-CD2 3.59Å; F469-H478 AromaticContact CE2-CG 3.93Å; F469-H478 HydrophobicContact CZ-CB 3.5Å; F469-H478 VanDerWaalsContact CZ-CB 3.5Å; F469-H478 AromaticContact CZ-CD2 3.44Å; F469-H478 VanDerWaalsContact CZ-CD2 3.44Å; F469-H478 WeakPolarHBondContact CZ-CD2 3.5Å; F469-H478 AromaticContact CZ-CG 3.35Å; F469-H478 AromaticContact CZ-ND1 3.99Å; E474-H478 PolarHBondContact O-N 3.06Å; E474-H478 VanDerWaalsContact O-N 3.13Å; L475-H478 WeakPolarHBondContact O-CA 3.31Å; L475-H478 WeakPolarHBondContact O-CB 3.46Å; L475-H478 PolarHBondContact O-N 3.13Å; I476-H478 VanDerWaalsContact C-N 3.25Å; I476-H478 PolarHBondContact O-N 3.42Å; H478-P480 VanDerWaalsContact C-N 3.29Å; H478-P480 VanDerWaalsContact O-N 3.16Å; H478-V481 VanDerWaalsContact O-CB 3.26Å; H478-V481 WeakPolarHBondContact O-CB 3.49Å; H478-V481 VanDerWaalsContact O-CG2 3.29Å; H478-V481 WeakPolarHBondContact O-CG2 3.46Å; H478-V481 PolarHBondContact O-N 2.89Å; H478-H482 AromaticContact CD2-NE2 3.01Å; H478-H482 PolarHBondContact CD2-NE2 3.33Å; H478-H482 AromaticContact CE1-NE2 3.03Å; H478-H482 PolarHBondContact CE1-NE2 3.32Å; H478-H482 AromaticContact CG-NE2 3.98Å; H478-H482 AromaticContact ND1-NE2 3.98Å; H478-H482 AromaticContact NE2-NE2 2.23Å; H478-H482 PolarHBondContact NE2-NE2 3.39Å
479	L	74.8	Confident	71.1	Confident	60 Å²	60	85.8 Å²	85.8	31%	0.314	46%	0.46	S	S	.	.	G	3₁₀ helix	trans	-48.6	-39.7	177.6	-63.6	174.7	0	0	0	114.5	L475 V481 H482	L475-L479 HydrophobicContact CD1-CD2 4.14Å; L475-L479 HydrophobicContact CD1-CG 4.42Å; L475-L479 PolarHBondContact O-N 2.9Å; L479-V481 PolarHBondContact O-N 3.25Å; L479-H482 PolarHBondContact O-N 3.42Å; L479-H482 VanDerWaalsContact O-N 3.08Å
480	P	80.1	Confident	71	Confident	63 Å²	63	90.6 Å²	90.6	41%	0.409	49%	0.486	S	S	.	.	G	3₁₀ helix	trans	-63.3	-12.4	177.7	-24.1	35.5	0	0	0	115.4	I476 H478 H482 E483	I476-P480 VanDerWaalsContact O-CD 3.31Å; I476-P480 WeakPolarHBondContact O-CD 3.34Å; H478-P480 VanDerWaalsContact C-N 3.29Å; H478-P480 VanDerWaalsContact O-N 3.16Å; P480-H482 VanDerWaalsContact C-N 3.32Å; P480-E483 PolarHBondContact O-N 2.68Å
481	V	68.4	Low	70.8	Confident	74 Å²	74	94 Å²	94	45%	0.448	49%	0.491	S	S	.	.	G	3₁₀ helix	trans	-64.9	-41.1	173	179	0	0	0	0	109.9	H478 L479 E483 T484	H478-V481 VanDerWaalsContact O-CB 3.26Å; H478-V481 WeakPolarHBondContact O-CB 3.49Å; H478-V481 VanDerWaalsContact O-CG2 3.29Å; H478-V481 WeakPolarHBondContact O-CG2 3.46Å; H478-V481 PolarHBondContact O-N 2.89Å; L479-V481 PolarHBondContact O-N 3.25Å; V481-E483 VanDerWaalsContact C-N 3.34Å; V481-E483 PolarHBondContact O-N 3.06Å; V481-T484 PolarHBondContact O-N 2.94Å; V481-T484 PolarHBondContact O-OG1 2.76Å
482	H	68	Low	70.5	Confident	59 Å²	59	96.4 Å²	96.4	27%	0.273	50%	0.503	S	S	.	.	G	3₁₀ helix	trans	-75.3	-20.2	179	-55.7	-62.2	0	0	0	113.2	C462 D464 C465 H478 L479 P480 T484 T485	C462-H482 PolarHBondContact SG-NE2 3.3Å; D464-H482 HydrophobicContact CB-CB 4.23Å; D464-H482 IonicContact OD2-CD2 3.85Å; D464-H482 IonicContact OD2-CG 3.74Å; C465-H482 WeakPolarHBondContact CB-CE1 3.34Å; C465-H482 PolarHBondContact SG-CE1 3.2Å; C465-H482 PolarHBondContact SG-NE2 3.26Å; H478-H482 AromaticContact CD2-NE2 3.01Å; H478-H482 PolarHBondContact CD2-NE2 3.33Å; H478-H482 AromaticContact CE1-NE2 3.03Å; H478-H482 PolarHBondContact CE1-NE2 3.32Å; H478-H482 AromaticContact CG-NE2 3.98Å; H478-H482 AromaticContact ND1-NE2 3.98Å; H478-H482 AromaticContact NE2-NE2 2.23Å; H478-H482 PolarHBondContact NE2-NE2 3.39Å; L479-H482 PolarHBondContact O-N 3.42Å; L479-H482 VanDerWaalsContact O-N 3.08Å; P480-H482 VanDerWaalsContact C-N 3.32Å; H482-T484 PolarHBondContact O-N 3.26Å; H482-T485 PolarHBondContact O-OG1 3.33Å
483	E	63.3	Low	70.1	Confident	163 Å²	163	94.4 Å²	94.4	76%	0.762	50%	0.498	S	S	*	.	G	3₁₀ helix	trans	-76	-5.3	174.1	-62.8	-172.7	149.9	0	0	113.6	P480 V481	P480-E483 PolarHBondContact O-N 2.68Å; V481-E483 VanDerWaalsContact C-N 3.34Å; V481-E483 PolarHBondContact O-N 3.06Å
484	T	53.1	Low	69.5	Low	119 Å²	119	84.5 Å²	84.5	73%	0.73	47%	0.472	S	S	*	.	G	3₁₀ helix	trans	-111.1	5	-174.8	60.2	0	0	0	0	115.5	V481 H482	V481-T484 PolarHBondContact O-N 2.94Å; V481-T484 PolarHBondContact O-OG1 2.76Å; H482-T484 PolarHBondContact O-N 3.26Å
485	T	42.9	Very low	69.1	Low	166 Å²	166	85.7 Å²	85.7	100%	1.018	49%	0.485	S	S	*	.			trans	-110.1	0	174.2	52.5	0	0	0	0	111.5	H482	H482-T485 PolarHBondContact O-OG1 3.33Å

Retrieved 485 of 485 residues in 68.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).