A0A087WQ51_MOUSE Loading...

IKAROS family zinc finger 2

AlphaFold DB , UniProt , Accession A0A087WQ51, Species MOUSE (Mus musculus, Mouse), Gene Ikzf2, Length 452 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38	Very low	35.1	Very low	216 Å²	216	142.5 Å²	142.5	100%	1.064	78%	0.777	S	S	*	*				0	64.1	0	-56.2	177.1	-172.1	0	0	106.8
2	E	34.9	Very low	34.8	Very low	177 Å²	177	139 Å²	139	83%	0.827	77%	0.769	S	S	*	*				67.4	125.3	53	-63.3	154.2	131.5	0	0	111.1
3	T	39.7	Very low	34.6	Very low	130 Å²	130	138.9 Å²	138.9	80%	0.798	77%	0.767	S	S	*	*			cis	-137.9	152.3	6.4	52.8	0	0	0	0	114.7
4	D	35.2	Very low	34.3	Very low	152 Å²	152	138.1 Å²	138.1	81%	0.813	76%	0.761	S	S	*	*			trans	-53.7	169.7	156.4	-56.7	-83.1	0	0	0	114.1
5	A	40.4	Very low	34.3	Very low	80 Å²	80	139.3 Å²	139.3	66%	0.661	76%	0.758	S	S	*	*			cis	-177.2	-149.5	-23	0	0	0	0	0	108.6
6	I	40.6	Very low	34	Very low	154 Å²	154	140.3 Å²	140.3	79%	0.79	76%	0.762	S	S	*	*			trans	77.5	128.6	161.5	-46.5	177.9	0	0	0	115
7	D	33.9	Very low	33.8	Very low	141 Å²	141	138.8 Å²	138.8	75%	0.754	76%	0.764	S	S	*	*			cis	-144.5	166.4	-8.9	-104.6	-25.6	0	0	0	107
8	G	31.4	Very low	34.6	Very low	61 Å²	61	136.7 Å²	136.7	63%	0.629	76%	0.758	S	S	*	*			cis	104.1	124.8	31.3	0	0	0	0	0	109.3
9	Y	31.1	Very low	34.3	Very low	206 Å²	206	139.6 Å²	139.6	81%	0.808	77%	0.765	S	S	*	*			cis	-139	166.6	8.9	-84.2	-108.5	0	0	0	109.1
10	I	30.6	Very low	34	Very low	130 Å²	130	135.9 Å²	135.9	67%	0.667	76%	0.761	S	S	*	*			cis	84.9	79.5	29.5	-61.6	177.1	0	0	0	112.9
11	T	30.6	Very low	33.8	Very low	121 Å²	121	138.6 Å²	138.6	74%	0.742	77%	0.768	S	S	*	*				73	157.5	105.5	60.8	0	0	0	0	116
12	C	31.5	Very low	33.6	Very low	100 Å²	100	137.1 Å²	137.1	68%	0.676	76%	0.758	S	S	*	*			cis	-173.1	-157.4	-18.8	-94.7	0	0	0	0	106.9
13	D	31.3	Very low	33.3	Very low	138 Å²	138	133.3 Å²	133.3	74%	0.738	76%	0.757	S	S	*	*			trans	80	146.5	155.7	-59.2	9.4	0	0	0	117.1
14	N	31.7	Very low	32.7	Very low	128 Å²	128	134.5 Å²	134.5	68%	0.684	76%	0.758	S	S	*	*			cis	-166	129.8	-11.3	-107.2	-19.3	0	0	0	107.5
15	E	33.4	Very low	32.5	Very low	155 Å²	155	136.5 Å²	136.5	72%	0.724	77%	0.765	S	S	*	*				107	163.3	80.3	-98.8	-66.5	153.8	0	0	114.1
16	L	29.7	Very low	32	Very low	156 Å²	156	137.3 Å²	137.3	82%	0.817	77%	0.771	S	S	*	*			trans	80.5	135.9	165.1	-66	138.9	0	0	0	121.7
17	S	30.8	Very low	31.5	Very low	115 Å²	115	138.3 Å²	138.3	80%	0.804	78%	0.777	S	S	*	*			trans	-109.8	-145.4	169.1	-41.5	0	0	0	0	109
18	P	47.4	Very low	31.2	Very low	100 Å²	100	138.3 Å²	138.3	65%	0.649	78%	0.777	S	S	*	*			cis	-139.8	-166.1	8.3	45.8	-25.4	0	0	0	116.2
19	E	30	Very low	31.2	Very low	192 Å²	192	142.9 Å²	142.9	90%	0.897	79%	0.786	S	S	*	*			trans	65.5	157.7	160.1	-69.4	159.7	-147	0	0	118.1
20	G	28.5	Very low	31.1	Very low	66 Å²	66	140.1 Å²	140.1	68%	0.68	79%	0.791	S	S	*	*			cis	175.1	156.6	-7.7	0	0	0	0	0	113.5
21	E	30.2	Very low	31	Very low	192 Å²	192	139.3 Å²	139.3	90%	0.897	80%	0.797	S	S	*	*			trans	74.3	141.1	159	-52.8	-159.2	146.2	0	0	124.6
22	H	32.2	Very low	30.9	Very low	185 Å²	185	139.4 Å²	139.4	86%	0.856	80%	0.802	S	S	*	*			trans	-36.4	155.6	167.7	-61.2	-96.2	0	0	0	117.3
23	A	28.7	Very low	30.9	Very low	98 Å²	98	141.1 Å²	141.1	81%	0.81	81%	0.81	S	S	*	*				-176.9	172.2	66.6	0	0	0	0	0	115.3
24	N	28.2	Very low	31.4	Very low	154 Å²	154	139.6 Å²	139.6	82%	0.824	81%	0.807	S	S	*	*			trans	-65.5	153.8	-178.4	-49.3	-59.2	0	0	0	115.1
25	M	31.2	Very low	31.2	Very low	195 Å²	195	141.5 Å²	141.5	96%	0.961	82%	0.818	S	S	*	*				-162.8	147.5	121.4	-106.6	171.3	-151.6	0	0	111.8
26	A	28.7	Very low	30.9	Very low	96 Å²	96	137.6 Å²	137.6	79%	0.793	82%	0.819	S	S	*	*			trans	-112.4	151.9	175.3	0	0	0	0	0	110.4
27	I	30.8	Very low	30.7	Very low	175 Å²	175	138.3 Å²	138.3	90%	0.897	82%	0.818	S	S	*	*			trans	-133.3	140.5	165.2	-57.8	-177.7	0	0	0	107.8
28	D	26.3	Very low	30.5	Very low	142 Å²	142	141.1 Å²	141.1	76%	0.759	82%	0.818	S	S	*	*			trans	-101.5	175.2	-163.8	-152	-14.7	0	0	0	113.3
29	L	31.8	Very low	29.4	Very low	156 Å²	156	140.7 Å²	140.7	82%	0.817	82%	0.822	S	S	*	*			trans	-56.2	143.2	179	-62.5	158.1	0	0	0	113.8
30	T	28.7	Very low	29.3	Very low	149 Å²	149	137.4 Å²	137.4	91%	0.914	82%	0.821	S	S	*	*			trans	-144.3	156.1	145.2	32.9	0	0	0	0	111.4
31	S	28.9	Very low	29.5	Very low	113 Å²	113	140 Å²	140	79%	0.79	83%	0.826	S	S	*	*			trans	-106.4	154	-167.5	54.4	0	0	0	0	113.6
32	S	29.9	Very low	29.3	Very low	123 Å²	123	135.9 Å²	135.9	86%	0.86	82%	0.818	S	S	*	*			trans	-165.1	131.5	146.2	23.6	0	0	0	0	113.1
33	T	31.4	Very low	29	Very low	136 Å²	136	135.1 Å²	135.1	83%	0.834	81%	0.814	S	S	*	*			trans	-125.5	153.1	156.8	62.5	0	0	0	0	106
34	P	41.9	Very low	28.8	Very low	105 Å²	105	138.7 Å²	138.7	68%	0.682	82%	0.817	S	S	*	*				-155.4	170.2	82.9	40.9	-22.1	0	0	0	116.9
35	N	26.8	Very low	28.7	Very low	169 Å²	169	137 Å²	137	90%	0.904	81%	0.812	S	S	*	*			trans	57	145.4	152	-65.7	-15.5	0	0	0	120.8
36	G	25.9	Very low	28.4	Very low	72 Å²	72	133.5 Å²	133.5	74%	0.742	81%	0.806	S	S	*	*			trans	-175.7	-18.7	172.3	0	0	0	0	0	122.6
37	Q	25.5	Very low	28.2	Very low	171 Å²	171	134.9 Å²	134.9	80%	0.799	81%	0.806	S	S	*	*			trans	59.1	155.8	170.3	-60.6	-178.4	-29.3	0	0	120.8
38	H	26.6	Very low	28.1	Very low	175 Å²	175	134.6 Å²	134.6	81%	0.81	81%	0.806	S	S	*	*			trans	76	140.1	153.1	-75.8	-63.6	0	0	0	123.6
39	A	26	Very low	28.1	Very low	90 Å²	90	132.9 Å²	132.9	74%	0.744	81%	0.805	S	S	*	*			trans	70.4	101.7	151.1	0	0	0	0	0	120.2
40	S	27.2	Very low	27.7	Very low	123 Å²	123	132.4 Å²	132.4	86%	0.86	81%	0.808	S	S	*	*			trans	-66.7	147.7	148	-38.7	0	0	0	0	110.9
41	P	33.3	Very low	27.4	Very low	122 Å²	122	131.9 Å²	131.9	79%	0.792	79%	0.793	S	S	*	*			trans	-119.4	153.2	144.9	15.3	3.9	0	0	0	112.8
42	S	24.4	Very low	27.1	Very low	104 Å²	104	133.7 Å²	133.7	73%	0.727	79%	0.793	S	S	*	*			trans	-64.6	155.2	175.6	49.5	0	0	0	0	114.6
43	H	27.2	Very low	26.8	Very low	169 Å²	169	134 Å²	134	78%	0.782	78%	0.781	S	S	*	*			trans	33.7	120.9	148.2	-74.4	-98.3	0	0	0	118.9
44	M	24.8	Very low	26.3	Very low	174 Å²	174	134.8 Å²	134.8	86%	0.857	78%	0.777	S	S	*	*				-148.7	155.4	118	-98.1	-44.7	136.2	0	0	113.4
45	T	24.7	Very low	25.5	Very low	118 Å²	118	137.4 Å²	137.4	72%	0.724	78%	0.78	S	S	*	*			trans	-66.7	149.1	178.7	49	0	0	0	0	114.1
46	S	26.1	Very low	25.5	Very low	121 Å²	121	133.2 Å²	133.2	85%	0.846	76%	0.764	S	S	*	*				-162.8	129.1	127.2	-83.7	0	0	0	0	112.3
47	T	24.8	Very low	25.4	Very low	126 Å²	126	137.2 Å²	137.2	77%	0.773	77%	0.768	S	S	*	*			trans	-81.9	149.2	163.6	47.1	0	0	0	0	110.4
48	N	28.1	Very low	25.7	Very low	169 Å²	169	137.8 Å²	137.8	90%	0.904	77%	0.771	S	S	*	*			trans	-137.8	126.4	157.3	-102.8	-31	0	0	0	109.3
49	S	25.3	Very low	25.8	Very low	105 Å²	105	137.9 Å²	137.9	73%	0.734	77%	0.772	S	S	*	*			trans	-138.8	130.1	-176	-61.6	0	0	0	0	110.5
50	V	25	Very low	25.7	Very low	146 Å²	146	138.3 Å²	138.3	89%	0.885	77%	0.768	S	S	*	*			trans	-137.1	98.7	164.6	-176.6	0	0	0	0	104.4
51	K	21.6	Very low	25.7	Very low	139 Å²	139	137.2 Å²	137.2	60%	0.604	75%	0.753	S	S	*	*				86	115.3	53.6	-166.6	-164.5	-178.4	-153.2	0	112.6	E53	K51-E53 WeakPolarHBondContact CE-OE1 3.46Å; K51-E53 VanDerWaalsContact CE-OE2 3.29Å; K51-E53 WeakPolarHBondContact CE-OE2 3.38Å; K51-E53 IonicContact NZ-OE1 2.69Å; K51-E53 PolarHBondContact NZ-OE1 3.5Å; K51-E53 IonicContact NZ-OE2 2.94Å; K51-E53 PolarHBondContact NZ-OE2 2.82Å
52	L	22.4	Very low	25.4	Very low	150 Å²	150	141.4 Å²	141.4	79%	0.785	75%	0.753	S	S	*	*			trans	174	103.3	140	-89.8	158	0	0	0	104.1
53	E	23	Very low	25.4	Very low	130 Å²	130	145 Å²	145	61%	0.607	76%	0.758	S	S	*	*				61.2	135.1	84.7	-64.8	178.5	150.6	0	0	111.7	K51	K51-E53 WeakPolarHBondContact CE-OE1 3.46Å; K51-E53 VanDerWaalsContact CE-OE2 3.29Å; K51-E53 WeakPolarHBondContact CE-OE2 3.38Å; K51-E53 IonicContact NZ-OE1 2.69Å; K51-E53 PolarHBondContact NZ-OE1 3.5Å; K51-E53 IonicContact NZ-OE2 2.94Å; K51-E53 PolarHBondContact NZ-OE2 2.82Å
54	M	21.9	Very low	26	Very low	153 Å²	153	142.5 Å²	142.5	75%	0.754	76%	0.756	S	S	*	*			cis	-139	-178.7	25.4	-59.9	156.2	51.6	0	0	109.7
55	Q	25.6	Very low	26	Very low	159 Å²	159	142 Å²	142	74%	0.743	76%	0.757	S	S	*	*			cis	-162.3	156.8	15	-146.6	166.2	-9.7	0	0	111
56	S	25.4	Very low	26	Very low	81 Å²	81	140.7 Å²	140.7	57%	0.566	75%	0.752	S	S	*	*			trans	0.2	152.7	156.4	57.7	0	0	0	0	121.7
57	D	25	Very low	26.1	Very low	156 Å²	156	144.5 Å²	144.5	83%	0.834	75%	0.748	S	S	*	*			cis	-170.5	-175.4	-12.3	-86.2	-36.3	0	0	0	104.7
58	E	31.2	Very low	26.4	Very low	183 Å²	183	144.8 Å²	144.8	86%	0.855	74%	0.741	S	S	*	*			cis	-118.3	179	9.1	-62.1	171	107.8	0	0	108.8
59	E	27.9	Very low	26.3	Very low	178 Å²	178	143 Å²	143	83%	0.832	73%	0.731	S	S	*	*			cis	71.5	124.5	30	-165.4	156.7	-143.2	0	0	114.8
60	C	24.9	Very low	26.5	Very low	98 Å²	98	146.3 Å²	146.3	66%	0.662	74%	0.735	S	S	*	*			cis	-144.1	-175.9	-0.3	-140.6	0	0	0	0	108.3
61	D	26.3	Very low	26.9	Very low	100 Å²	100	146.8 Å²	146.8	54%	0.535	73%	0.73	S	S	.	*			cis	-158.9	163.6	4.4	-163.3	-13.5	0	0	0	109.9
62	R	28.2	Very low	27.3	Very low	211 Å²	211	151 Å²	151	80%	0.796	74%	0.743	S	S	*	*			trans	60.8	137.6	148.9	-110.4	160.7	-85.4	-134.4	-1.7	124.7
63	Q	24.2	Very low	27.5	Very low	180 Å²	180	147.5 Å²	147.5	84%	0.841	74%	0.743	S	S	*	*			trans	-96.3	-162.5	170.4	-53.7	169.9	-53.2	0	0	110.8
64	P	39.7	Very low	27.9	Very low	115 Å²	115	149 Å²	149	75%	0.747	75%	0.75	S	S	*	*				-119.7	-168.4	-90	40.2	-23.2	0	0	0	111.8
65	L	23.9	Very low	28.2	Very low	165 Å²	165	148.3 Å²	148.3	86%	0.864	75%	0.749	S	S	*	*			trans	-173.3	145.1	137.4	-103.7	166.9	0	0	0	115.1
66	S	25.6	Very low	28.4	Very low	89 Å²	89	149.9 Å²	149.9	62%	0.622	76%	0.756	S	S	*	*			trans	7.2	136.7	158.8	57.4	0	0	0	0	124.5
67	R	29.1	Very low	28.5	Very low	202 Å²	202	149.8 Å²	149.8	76%	0.762	77%	0.768	S	S	*	*				27.5	139.7	120.8	-58.5	175.9	76.5	134.6	21.5	118.4
68	E	29.8	Very low	28.6	Very low	132 Å²	132	148.3 Å²	148.3	62%	0.617	77%	0.77	S	S	*	*			cis	-170.3	172.3	4.6	-114.6	157.2	-165.9	0	0	106.6
69	D	27.4	Very low	28.6	Very low	130 Å²	130	144.9 Å²	144.9	70%	0.695	77%	0.766	S	S	*	*			cis	-156.6	-152.4	8.7	-147.9	-58.1	0	0	0	110.2
70	E	28.7	Very low	28.7	Very low	176 Å²	176	144.4 Å²	144.4	82%	0.822	77%	0.769	S	S	*	*			trans	74.4	76.8	159.4	-66.8	-155.3	126.2	0	0	121	R72	E70-R72 PolarHBondContact O-N 2.93Å
71	I	32.5	Very low	28.8	Very low	155 Å²	155	148.7 Å²	148.7	80%	0.795	78%	0.779	S	S	*	*				21.5	95	122.6	-45.3	166.6	0	0	0	118.1
72	R	30	Very low	29	Very low	228 Å²	228	152.4 Å²	152.4	86%	0.86	79%	0.793	S	S	*	*				-164.4	113.2	119.8	-149.1	160.2	-61.7	-162.9	3.4	112	E70	E70-R72 PolarHBondContact O-N 2.93Å
73	G	28.1	Very low	29.2	Very low	76 Å²	76	146.2 Å²	146.2	78%	0.784	78%	0.78	S	S	*	*			trans	-78	130.3	178.5	0	0	0	0	0	112.8
74	H	30.8	Very low	29.7	Very low	163 Å²	163	145.7 Å²	145.7	76%	0.755	78%	0.782	S	S	*	*			trans	-144.5	127.3	164.1	-111.5	-83.6	0	0	0	110.3
75	D	27.9	Very low	29.7	Very low	138 Å²	138	145 Å²	145	74%	0.738	77%	0.771	S	S	*	*			trans	64.1	159.5	152.6	-70.4	-59.2	0	0	0	123.6
76	E	29	Very low	30	Very low	191 Å²	191	146 Å²	146	89%	0.893	77%	0.771	S	S	*	*			trans	73.1	128.7	163.7	-50.5	-139.2	148.7	0	0	121.8
77	G	27.5	Very low	30.5	Very low	79 Å²	79	146.3 Å²	146.3	81%	0.814	77%	0.774	S	S	*	*				106.3	78.8	126.2	0	0	0	0	0	119.3
78	S	27.1	Very low	30.8	Very low	125 Å²	125	142 Å²	142	87%	0.874	77%	0.774	S	S	*	*			trans	-154.2	122.5	144.5	-161.9	0	0	0	0	112.1
79	S	31.9	Very low	31.4	Very low	112 Å²	112	144.4 Å²	144.4	78%	0.783	79%	0.786	S	S	*	*			trans	-78	131.1	-178.9	-59	0	0	0	0	112
80	L	30	Very low	31.7	Very low	168 Å²	168	144.8 Å²	144.8	88%	0.88	79%	0.792	S	S	*	*			trans	-120.4	120.9	149.1	-69.2	176.2	0	0	0	106.4
81	E	27.4	Very low	31.8	Very low	188 Å²	188	140.5 Å²	140.5	88%	0.879	79%	0.787	S	S	*	*			trans	-61.4	137.3	-173.4	-60.9	-167.9	136.3	0	0	111.6	P83	E81-P83 WeakPolarHBondContact O-CD 3.25Å
82	E	30.7	Very low	32	Very low	177 Å²	177	138.4 Å²	138.4	83%	0.827	78%	0.778	S	S	*	*			trans	-69	121.5	166.5	-68.3	-158.4	124.9	0	0	108.6	L84	E82-L84 PolarHBondContact O-N 3.11Å
83	P	32.3	Very low	32.2	Very low	81 Å²	81	134.7 Å²	134.7	53%	0.526	78%	0.775	S	S	.	*			trans	-65	113.1	174.2	26.2	-32.7	0	0	0	108.2	E81 I85	E81-P83 WeakPolarHBondContact O-CD 3.25Å; P83-I85 WeakPolarHBondContact O-CG1 3.44Å; P83-I85 PolarHBondContact O-N 3.07Å
84	L	34.8	Very low	32.8	Very low	170 Å²	170	140.6 Å²	140.6	89%	0.89	77%	0.773	S	S	*	*			trans	-54.5	105.3	-176.1	-69.1	170.1	0	0	0	110.6	E82 E86	E82-L84 PolarHBondContact O-N 3.11Å; L84-E86 VanDerWaalsContact C-N 3.34Å; L84-E86 PolarHBondContact O-N 3.01Å
85	I	39.5	Very low	33.4	Very low	101 Å²	101	142.3 Å²	142.3	52%	0.518	78%	0.779	S	S	.	*			trans	-79.4	87.1	179.9	-51.9	-176.7	0	0	0	108.4	P83 S87 L157	P83-I85 WeakPolarHBondContact O-CG1 3.44Å; P83-I85 PolarHBondContact O-N 3.07Å; I85-S87 PolarHBondContact O-N 3.5Å; I85-S87 VanDerWaalsContact O-N 3.09Å; I85-L157 HydrophobicContact CD1-CD2 3.95Å
86	E	30.2	Very low	34	Very low	185 Å²	185	141.8 Å²	141.8	86%	0.864	78%	0.78	S	S	*	*			trans	-56.4	110.6	176.2	-171	173.9	-133.8	0	0	110.8	L84 S88	L84-E86 VanDerWaalsContact C-N 3.34Å; L84-E86 PolarHBondContact O-N 3.01Å; E86-S88 PolarHBondContact O-N 3.17Å
87	S	36.1	Very low	34.6	Very low	96 Å²	96	140 Å²	140	67%	0.671	77%	0.772	S	S	*	*			trans	-89.5	101.7	175.8	53.2	0	0	0	0	109.7	I85 E89	I85-S87 PolarHBondContact O-N 3.5Å; I85-S87 VanDerWaalsContact O-N 3.09Å; S87-E89 PolarHBondContact O-N 3.22Å
88	S	34.9	Very low	35.3	Very low	111 Å²	111	143.2 Å²	143.2	78%	0.776	77%	0.77	S	S	*	*			trans	-66.1	114.3	175.4	45.1	0	0	0	0	111.6	E86 V90	E86-S88 PolarHBondContact O-N 3.17Å; S88-V90 PolarHBondContact O-N 3.31Å
89	E	42.1	Very low	36.3	Very low	183 Å²	183	141.6 Å²	141.6	86%	0.855	75%	0.751	S	S	*	*			trans	-85.1	86.6	-174.3	-62.6	-168.3	128.4	0	0	113	S87	S87-E89 PolarHBondContact O-N 3.22Å
90	V	34.8	Very low	37	Very low	137 Å²	137	145.2 Å²	145.2	83%	0.83	76%	0.756	S	S	*	*			trans	-156.1	140.3	159.2	-106.3	0	0	0	0	109.6	S88	S88-V90 PolarHBondContact O-N 3.31Å
91	A	30.5	Very low	37.5	Very low	87 Å²	87	139.8 Å²	139.8	72%	0.719	74%	0.741	S	S	*	*			cis	-146	173.1	-0.3	0	0	0	0	0	111.5	N93	A91-N93 PolarHBondContact O-N 2.82Å
92	D	37.1	Very low	38.3	Very low	111 Å²	111	139.7 Å²	139.7	59%	0.594	74%	0.74	S	S	*	*			trans	-51.3	128.6	177.4	-97.7	-55.1	0	0	0	113.3	R94	D92-R94 HydrophobicContact CB-CG 4.43Å; D92-R94 VanDerWaalsContact CG-NE 3.26Å; D92-R94 VanDerWaalsContact OD1-CG 3.29Å; D92-R94 WeakPolarHBondContact OD1-CG 3.34Å; D92-R94 IonicContact OD1-CZ 3.98Å; D92-R94 IonicContact OD1-NE 3.85Å; D92-R94 PolarHBondContact OD1-NE 2.93Å; D92-R94 IonicContact OD1-NH2 3.8Å; D92-R94 IonicContact OD2-CZ 3.72Å; D92-R94 IonicContact OD2-NE 3.45Å; D92-R94 PolarHBondContact OD2-NE 3.05Å; D92-R94 VanDerWaalsContact OD2-NE 3.17Å; D92-R94 IonicContact OD2-NH2 3.58Å; D92-R94 PolarHBondContact OD2-NH2 3.4Å
93	N	34	Very low	39	Very low	149 Å²	149	134.4 Å²	134.4	80%	0.797	73%	0.733	S	S	*	*			trans	-117.4	60.5	153.3	-101	-69.4	0	0	0	109.7	A91	A91-N93 PolarHBondContact O-N 2.82Å
94	R	40.3	Very low	40	Very low	201 Å²	201	134.7 Å²	134.7	76%	0.758	75%	0.751	S	S	*	*			trans	-59.4	138.1	164.4	-70.9	169.4	-166.6	-153.4	1.7	108.7	D92	D92-R94 HydrophobicContact CB-CG 4.43Å; D92-R94 VanDerWaalsContact CG-NE 3.26Å; D92-R94 VanDerWaalsContact OD1-CG 3.29Å; D92-R94 WeakPolarHBondContact OD1-CG 3.34Å; D92-R94 IonicContact OD1-CZ 3.98Å; D92-R94 IonicContact OD1-NE 3.85Å; D92-R94 PolarHBondContact OD1-NE 2.93Å; D92-R94 IonicContact OD1-NH2 3.8Å; D92-R94 IonicContact OD2-CZ 3.72Å; D92-R94 IonicContact OD2-NE 3.45Å; D92-R94 PolarHBondContact OD2-NE 3.05Å; D92-R94 VanDerWaalsContact OD2-NE 3.17Å; D92-R94 IonicContact OD2-NH2 3.58Å; D92-R94 PolarHBondContact OD2-NH2 3.4Å
95	K	43.5	Very low	40.6	Very low	199 Å²	199	132 Å²	132	87%	0.865	74%	0.736	S	S	*	*			trans	85	63.5	166.2	-152.5	175.4	-171.2	173.9	0	117.4
96	V	39.8	Very low	41	Very low	127 Å²	127	138 Å²	138	77%	0.77	75%	0.752	S	S	*	*			trans	-120.5	74.7	147.4	-170.4	0	0	0	0	110.8
97	Q	41.1	Very low	42	Very low	153 Å²	153	133 Å²	133	72%	0.715	73%	0.731	S	S	*	*			trans	59.3	147.9	146.7	-65.1	173.9	-8.3	0	0	121.4	L99	Q97-L99 PolarHBondContact O-N 2.87Å
98	D	42.8	Very low	42.6	Very low	146 Å²	146	134.1 Å²	134.1	78%	0.781	74%	0.736	S	S	*	*			trans	-78	100.4	-166.8	-53.7	-90.4	0	0	0	113.1	Q100	D98-Q100 PolarHBondContact O-N 3.15Å
99	L	49.5	Very low	43.3	Very low	92 Å²	92	134.8 Å²	134.8	48%	0.482	73%	0.731	S	S	.	*			trans	-76.4	72.3	167.6	-70.2	176.4	0	0	0	111.1	Q97 K126	Q97-L99 PolarHBondContact O-N 2.87Å; L99-K126 PolarHBondContact O-NZ 3.08Å
100	Q	45.9	Very low	43.9	Very low	187 Å²	187	128.8 Å²	128.8	87%	0.874	72%	0.718	S	S	*	*			trans	-53.1	140.2	163.8	-68.6	179.9	-13.3	0	0	109.8	D98	D98-Q100 PolarHBondContact O-N 3.15Å
101	G	41	Very low	44.8	Very low	55 Å²	55	126.7 Å²	126.7	57%	0.567	70%	0.699	S	S	*	*			trans	132.8	88.1	-166.4	0	0	0	0	0	109.8
102	E	43	Very low	46.4	Very low	186 Å²	186	129.5 Å²	129.5	87%	0.869	69%	0.691	S	S	*	*			trans	-77	152.5	175.2	-60.3	-167.2	153.4	0	0	111.5
103	G	45.7	Very low	48	Very low	66 Å²	66	127.2 Å²	127.2	68%	0.68	68%	0.682	S	S	*	*	S	Bend	trans	76.5	150.6	171.4	0	0	0	0	0	115.7	I105	G103-I105 PolarHBondContact O-N 2.87Å
104	G	53	Low	50.1	Low	86 Å²	86	122.4 Å²	122.4	89%	0.887	66%	0.655	S	S	*	*			trans	-81	60.8	172.1	0	0	0	0	0	112.1	R106	G104-R106 PolarHBondContact O-N 3.49Å
105	I	47.8	Very low	51.4	Low	114 Å²	114	117.9 Å²	117.9	59%	0.585	64%	0.642	S	S	*	*			trans	-71.2	102.8	-177.4	-50.9	-179.9	0	0	0	110.1	G103 L107	G103-I105 PolarHBondContact O-N 2.87Å; I105-L107 HydrophobicContact CG2-CD1 3.9Å; I105-L107 HydrophobicContact CG2-CG 3.92Å; I105-L107 PolarHBondContact O-N 2.72Å
106	R	47.5	Very low	52.9	Low	227 Å²	227	108.6 Å²	108.6	86%	0.857	60%	0.602	S	S	*	*			trans	-88.5	88.5	169.2	-175.6	-179.6	-178.7	172.7	-0.9	109	G104	G104-R106 PolarHBondContact O-N 3.49Å
107	L	51.5	Low	54.2	Low	79 Å²	79	109.8 Å²	109.8	41%	0.414	60%	0.604	S	S	.	*			trans	-63.1	141	175.1	-69.9	113.2	0	0	0	110.8	I105 N109	I105-L107 HydrophobicContact CG2-CD1 3.9Å; I105-L107 HydrophobicContact CG2-CG 3.92Å; I105-L107 PolarHBondContact O-N 2.72Å; L107-N109 VanDerWaalsContact C-N 3.29Å; L107-N109 PolarHBondContact O-N 2.9Å
108	P	49.8	Very low	55.3	Low	121 Å²	121	108.5 Å²	108.5	79%	0.786	60%	0.598	S	S	*	*	S	Bend	trans	-68.3	-23.3	-176.5	-22.5	34.7	0	0	0	114.9	G110	P108-G110 VanDerWaalsContact C-N 3.34Å; P108-G110 PolarHBondContact O-N 3.48Å
109	N	48.4	Very low	56.4	Low	124 Å²	124	104.6 Å²	104.6	66%	0.663	58%	0.581	S	S	*	*	S	Bend	trans	-92.2	28.8	-159.4	-62.4	-10.7	0	0	0	114.9	L107 E111	L107-N109 VanDerWaalsContact C-N 3.29Å; L107-N109 PolarHBondContact O-N 2.9Å; N109-E111 HydrophobicContact CB-CG 4.36Å; N109-E111 PolarHBondContact O-N 2.86Å
110	G	53.9	Low	57	Low	57 Å²	57	102.8 Å²	102.8	59%	0.588	59%	0.585	S	S	*	*			trans	67.5	5.3	178.2	0	0	0	0	0	115.6	P108 R112	P108-G110 VanDerWaalsContact C-N 3.34Å; P108-G110 PolarHBondContact O-N 3.48Å; G110-R112 WeakPolarHBondContact O-CG 3.39Å
111	E	55.2	Low	58	Low	94 Å²	94	95.3 Å²	95.3	44%	0.439	56%	0.555	S	S	.	*			trans	-58.3	143.5	-178.3	-67.8	170.6	-151	0	0	112.3	N109 P113	N109-E111 HydrophobicContact CB-CG 4.36Å; N109-E111 PolarHBondContact O-N 2.86Å; E111-P113 WeakPolarHBondContact O-CD 3.5Å
112	R	63.6	Low	59.4	Low	145 Å²	145	94.3 Å²	94.3	55%	0.547	54%	0.539	S	S	.	.			trans	-120	55.8	-172	-58.2	175.4	71	148.5	-4	111.4	G110 F114 H115 S122 F123 T124	G110-R112 WeakPolarHBondContact O-CG 3.39Å; R112-F114 PolarHBondContact O-N 3.33Å; R112-H115 PolarHBondContact O-CE1 3.44Å; R112-H115 PolarHBondContact O-ND1 3.02Å; R112-S122 VanDerWaalsContact CZ-O 3.25Å; R112-S122 PolarHBondContact NE-O 2.93Å; R112-S122 PolarHBondContact NH2-O 3.24Å; R112-F123 CarbonylContact C-O 3.53Å; R112-F123 WeakPolarHBondContact CA-O 3.48Å; R112-T124 HydrophobicContact CG-CG2 3.98Å
113	P	70.5	Confident	61	Low	63 Å²	63	87.3 Å²	87.3	41%	0.409	51%	0.506	S	S	.	.			trans	-67.7	-8.7	-162.9	29	-37.9	0	0	0	115.3	E111	E111-P113 WeakPolarHBondContact O-CD 3.5Å
114	F	77.3	Confident	62.4	Low	48 Å²	48	87.8 Å²	87.8	21%	0.211	50%	0.496	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	96.6	178.6	-55.9	-76.1	0	0	0	109.7	R112 F123 K126 L129	R112-F114 PolarHBondContact O-N 3.33Å; F114-F123 HydrophobicContact CB-CB 4.33Å; F114-F123 WeakPolarHBondContact CB-O 3.18Å; F114-F123 WeakPolarHBondContact CD2-O 3.23Å; F114-F123 PolarHBondContact N-O 3.49Å; F114-F123 VanDerWaalsContact N-O 3.1Å; F114-F123 WeakPolarHBondContact O-CD2 3.47Å; F114-F123 PolarHBondContact O-N 3.19Å; F114-K126 HydrophobicContact CD1-CB 3.79Å; F114-K126 HydrophobicContact CD1-CG 4Å; F114-K126 VanDerWaalsContact CD2-N 3.28Å; F114-K126 HydrophobicContact CE1-CB 3.65Å; F114-K126 HydrophobicContact CE1-CD 4.09Å; F114-K126 HydrophobicContact CE1-CG 3.97Å; F114-K126 HydrophobicContact CE2-CB 4.46Å; F114-K126 HydrophobicContact CG-CB 4.27Å; F114-K126 HydrophobicContact CZ-CB 4Å; F114-L129 HydrophobicContact CB-CB 3.95Å; F114-L129 HydrophobicContact CB-CD2 3.83Å; F114-L129 HydrophobicContact CB-CG 4.5Å
115	H	68.8	Low	63.6	Low	107 Å²	107	88.6 Å²	88.6	50%	0.495	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	148	-176.2	-50.4	-20.6	0	0	0	112.6	R112 A121 S122 L129	R112-H115 PolarHBondContact O-CE1 3.44Å; R112-H115 PolarHBondContact O-ND1 3.02Å; H115-A121 CarbonylContact C-O 3.06Å; H115-S122 PolarHBondContact ND1-OG 2.95Å; H115-L129 WeakPolarHBondContact O-CD1 3.39Å; H115-L129 VanDerWaalsContact O-CD2 3.3Å; H115-L129 WeakPolarHBondContact O-CD2 3.12Å
116	C	74.4	Confident	64.9	Low	3 Å²	3	86.7 Å²	86.7	2%	0.02	46%	0.464	C	S	.	.			trans	-93.2	109.6	172	-171.4	0	0	0	0	111.2	Q118 C119 G120 A121 L129 H132	C116-Q118 PolarHBondContact O-N 3.33Å; C116-C119 PolarHBondContact O-N 3.42Å; C116-G120 WeakPolarHBondContact O-CA 3.31Å; C116-G120 PolarHBondContact O-N 3.36Å; C116-A121 HydrophobicContact CB-CB 4.25Å; C116-A121 WeakPolarHBondContact CB-O 3.12Å; C116-A121 PolarHBondContact N-O 3.02Å; C116-L129 HydrophobicContact CB-CD1 3.72Å; C116-H132 WeakPolarHBondContact CB-NE2 3.14Å; C116-H132 PolarHBondContact SG-CD2 2.82Å; C116-H132 PolarHBondContact SG-NE2 2.95Å
117	N	66.8	Low	66.3	Low	152 Å²	152	77.9 Å²	77.9	81%	0.813	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-9.8	179.9	-60.7	-2.1	0	0	0	114.1
118	Q	64.8	Low	67.3	Low	126 Å²	126	75.8 Å²	75.8	59%	0.589	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100	-13.6	-178.2	-170.3	167.8	5.6	0	0	114	C116 H136	C116-Q118 PolarHBondContact O-N 3.33Å; Q118-H136 VanDerWaalsContact OE1-CB 3.24Å; Q118-H136 PolarHBondContact OE1-CD2 3.39Å; Q118-H136 VanDerWaalsContact OE1-CD2 3.31Å
119	C	65.4	Low	68.4	Low	64 Å²	64	70.2 Å²	70.2	43%	0.432	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-156.7	10.8	179.2	66.1	0	0	0	0	115.4	C116 A121 H132 H136	C116-C119 PolarHBondContact O-N 3.42Å; C119-A121 PolarHBondContact O-N 3.48Å; C119-A121 VanDerWaalsContact SG-CB 3.6Å; C119-H132 VanDerWaalsContact SG-CE1 3.53Å; C119-H132 PolarHBondContact SG-NE2 3.36Å; C119-H136 VanDerWaalsContact CB-NE2 3.29Å; C119-H136 WeakPolarHBondContact CB-NE2 3.47Å; C119-H136 PolarHBondContact SG-NE2 3Å
120	G	62.3	Low	69.7	Low	55 Å²	55	68.6 Å²	68.6	57%	0.567	39%	0.388	S	S	*	.			trans	72	-8.3	-179.2	0	0	0	0	0	115.8	C116 S122	C116-G120 WeakPolarHBondContact O-CA 3.31Å; C116-G120 PolarHBondContact O-N 3.36Å; G120-S122 PolarHBondContact O-N 3.04Å; G120-S122 PolarHBondContact O-OG 3.43Å
121	A	67.1	Low	70.4	Confident	30 Å²	30	71.2 Å²	71.2	25%	0.248	38%	0.38	C	S	.	.			trans	-59.1	123.3	-176.6	0	0	0	0	0	111.9	H115 C116 C119 F123	H115-A121 CarbonylContact C-O 3.06Å; C116-A121 HydrophobicContact CB-CB 4.25Å; C116-A121 WeakPolarHBondContact CB-O 3.12Å; C116-A121 PolarHBondContact N-O 3.02Å; C119-A121 PolarHBondContact O-N 3.48Å; C119-A121 VanDerWaalsContact SG-CB 3.6Å; A121-F123 HydrophobicContact CB-CE2 3.8Å; A121-F123 HydrophobicContact CB-CZ 3.92Å; A121-F123 WeakPolarHBondContact O-CD2 3.43Å; A121-F123 VanDerWaalsContact O-CE2 3.23Å; A121-F123 WeakPolarHBondContact O-CE2 3.38Å
122	S	71.1	Confident	71.3	Confident	33 Å²	33	68.2 Å²	68.2	23%	0.231	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	139.2	-172.4	-67.8	0	0	0	0	112.5	R112 H115 G120	R112-S122 VanDerWaalsContact CZ-O 3.25Å; R112-S122 PolarHBondContact NE-O 2.93Å; R112-S122 PolarHBondContact NH2-O 3.24Å; H115-S122 PolarHBondContact ND1-OG 2.95Å; G120-S122 PolarHBondContact O-N 3.04Å; G120-S122 PolarHBondContact O-OG 3.43Å
123	F	76.5	Confident	71.6	Confident	40 Å²	40	64.6 Å²	64.6	18%	0.175	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	146.7	-172.2	-58.9	-85	0	0	0	112.4	R112 F114 A121 Q125 N128 L129 H132	R112-F123 CarbonylContact C-O 3.53Å; R112-F123 WeakPolarHBondContact CA-O 3.48Å; F114-F123 HydrophobicContact CB-CB 4.33Å; F114-F123 WeakPolarHBondContact CB-O 3.18Å; F114-F123 WeakPolarHBondContact CD2-O 3.23Å; F114-F123 PolarHBondContact N-O 3.49Å; F114-F123 VanDerWaalsContact N-O 3.1Å; F114-F123 WeakPolarHBondContact O-CD2 3.47Å; F114-F123 PolarHBondContact O-N 3.19Å; A121-F123 HydrophobicContact CB-CE2 3.8Å; A121-F123 HydrophobicContact CB-CZ 3.92Å; A121-F123 WeakPolarHBondContact O-CD2 3.43Å; A121-F123 VanDerWaalsContact O-CE2 3.23Å; A121-F123 WeakPolarHBondContact O-CE2 3.38Å; F123-Q125 VanDerWaalsContact C-N 3.27Å; F123-Q125 PolarHBondContact O-N 3.46Å; F123-N128 HydrophobicContact CB-CB 4.27Å; F123-N128 HydrophobicContact CD1-CB 3.96Å; F123-N128 HydrophobicContact CG-CB 4.34Å; F123-L129 HydrophobicContact CB-CB 4.36Å; F123-L129 HydrophobicContact CD2-CB 3.89Å; F123-L129 HydrophobicContact CD2-CD1 3.88Å; F123-L129 HydrophobicContact CE2-CD1 4.09Å; F123-L129 HydrophobicContact CG-CB 4.33Å; F123-H132 HydrophobicContact CE1-CB 4.14Å; F123-H132 HydrophobicContact CE2-CB 3.82Å; F123-H132 AromaticContact CE2-CD2 3.56Å; F123-H132 AromaticContact CE2-CG 3.59Å; F123-H132 HydrophobicContact CZ-CB 3.48Å; F123-H132 VanDerWaalsContact CZ-CB 3.48Å; F123-H132 AromaticContact CZ-CD2 3.76Å; F123-H132 AromaticContact CZ-CG 3.32Å; F123-H132 AromaticContact CZ-ND1 3.62Å
124	T	74.8	Confident	71.4	Confident	75 Å²	75	68.2 Å²	68.2	46%	0.46	37%	0.366	S	S	.	.	S	Bend	trans	-76.1	-9.1	175	53.7	0	0	0	0	113.7	R112	R112-T124 HydrophobicContact CG-CG2 3.98Å
125	Q	78.2	Confident	70.7	Confident	104 Å²	104	70.1 Å²	70.1	49%	0.486	38%	0.378	S	S	.	.	S	Bend	trans	-146.1	133.7	-175.6	-63.3	176.9	-13.6	0	0	112.1	F123 G127 N128 L129	F123-Q125 VanDerWaalsContact C-N 3.27Å; F123-Q125 PolarHBondContact O-N 3.46Å; Q125-G127 PolarHBondContact O-N 3.01Å; Q125-N128 HydrophobicContact CB-CB 4.47Å; Q125-N128 PolarHBondContact O-N 3.48Å; Q125-N128 PolarHBondContact OE1-ND2 2.9Å; Q125-L129 PolarHBondContact O-N 2.96Å
126	K	75.8	Confident	70.4	Confident	73 Å²	73	69.2 Å²	69.2	32%	0.317	37%	0.374	S	S	.	.	H	α-helix	trans	-51.3	-40.2	176.4	-158.4	167.8	-171.2	165.3	0	112.7	L99 F114 N128 L129 L130	L99-K126 PolarHBondContact O-NZ 3.08Å; F114-K126 HydrophobicContact CD1-CB 3.79Å; F114-K126 HydrophobicContact CD1-CG 4Å; F114-K126 VanDerWaalsContact CD2-N 3.28Å; F114-K126 HydrophobicContact CE1-CB 3.65Å; F114-K126 HydrophobicContact CE1-CD 4.09Å; F114-K126 HydrophobicContact CE1-CG 3.97Å; F114-K126 HydrophobicContact CE2-CB 4.46Å; F114-K126 HydrophobicContact CG-CB 4.27Å; F114-K126 HydrophobicContact CZ-CB 4Å; K126-N128 VanDerWaalsContact C-N 3.34Å; K126-N128 PolarHBondContact O-N 2.98Å; K126-L129 PolarHBondContact O-N 3.19Å; K126-L130 HydrophobicContact CG-CD1 4.49Å; K126-L130 WeakPolarHBondContact O-CG 3.3Å; K126-L130 PolarHBondContact O-N 3.06Å
127	G	75.3	Confident	69.8	Low	43 Å²	43	71.9 Å²	71.9	44%	0.443	39%	0.392	S	S	.	.	H	α-helix	trans	-66.9	-27.5	177.3	0	0	0	0	0	114.9	Q125 R131	Q125-G127 PolarHBondContact O-N 3.01Å; G127-R131 WeakPolarHBondContact O-CB 3.49Å; G127-R131 PolarHBondContact O-N 3.25Å; G127-R131 VanDerWaalsContact O-N 3.17Å
128	N	73	Confident	69.3	Low	35 Å²	35	66.6 Å²	66.6	19%	0.187	37%	0.374	C	S	.	.	H	α-helix	trans	-78.3	-38.8	174.2	-68.3	-32.3	0	0	0	110.9	F123 Q125 K126 R131 H132	F123-N128 HydrophobicContact CB-CB 4.27Å; F123-N128 HydrophobicContact CD1-CB 3.96Å; F123-N128 HydrophobicContact CG-CB 4.34Å; Q125-N128 HydrophobicContact CB-CB 4.47Å; Q125-N128 PolarHBondContact O-N 3.48Å; Q125-N128 PolarHBondContact OE1-ND2 2.9Å; K126-N128 VanDerWaalsContact C-N 3.34Å; K126-N128 PolarHBondContact O-N 2.98Å; N128-R131 PolarHBondContact O-N 3.41Å; N128-R131 VanDerWaalsContact OD1-CZ 3.23Å; N128-R131 PolarHBondContact OD1-NH1 3.34Å; N128-R131 PolarHBondContact OD1-NH2 2.78Å; N128-H132 WeakPolarHBondContact O-CB 3.38Å; N128-H132 PolarHBondContact O-N 3.17Å
129	L	74.1	Confident	69	Low	4 Å²	4	66.8 Å²	66.8	2%	0.021	38%	0.375	C	S	.	.	H	α-helix	trans	-59.3	-50	170.6	172.7	62.1	0	0	0	111.4	F114 H115 C116 F123 Q125 K126 R131 H132 I133	F114-L129 HydrophobicContact CB-CB 3.95Å; F114-L129 HydrophobicContact CB-CD2 3.83Å; F114-L129 HydrophobicContact CB-CG 4.5Å; H115-L129 WeakPolarHBondContact O-CD1 3.39Å; H115-L129 VanDerWaalsContact O-CD2 3.3Å; H115-L129 WeakPolarHBondContact O-CD2 3.12Å; C116-L129 HydrophobicContact CB-CD1 3.72Å; F123-L129 HydrophobicContact CB-CB 4.36Å; F123-L129 HydrophobicContact CD2-CB 3.89Å; F123-L129 HydrophobicContact CD2-CD1 3.88Å; F123-L129 HydrophobicContact CE2-CD1 4.09Å; F123-L129 HydrophobicContact CG-CB 4.33Å; Q125-L129 PolarHBondContact O-N 2.96Å; K126-L129 PolarHBondContact O-N 3.19Å; L129-R131 VanDerWaalsContact C-N 3.29Å; L129-R131 PolarHBondContact O-N 2.97Å; L129-H132 CarbonylContact O-C 3.55Å; L129-H132 WeakPolarHBondContact O-CA 3.31Å; L129-H132 WeakPolarHBondContact O-CB 3.39Å; L129-H132 PolarHBondContact O-N 2.98Å; L129-I133 HydrophobicContact CD1-CD1 3.87Å; L129-I133 HydrophobicContact CD1-CG1 4.03Å; L129-I133 HydrophobicContact CD2-CD1 4.48Å; L129-I133 HydrophobicContact CG-CD1 3.85Å; L129-I133 HydrophobicContact CG-CG1 4.42Å; L129-I133 WeakPolarHBondContact O-CG1 3.39Å; L129-I133 PolarHBondContact O-N 2.95Å
130	L	74.8	Confident	69.1	Low	90 Å²	90	69.3 Å²	69.3	47%	0.471	38%	0.378	S	S	.	.	H	α-helix	trans	-61	-36.8	178.6	-70.5	170.3	0	0	0	112.5	K126 H132 K134	K126-L130 HydrophobicContact CG-CD1 4.49Å; K126-L130 WeakPolarHBondContact O-CG 3.3Å; K126-L130 PolarHBondContact O-N 3.06Å; L130-H132 VanDerWaalsContact C-N 3.34Å; L130-K134 PolarHBondContact O-N 3.35Å
131	R	69.4	Low	69.5	Low	112 Å²	112	70.8 Å²	70.8	42%	0.423	38%	0.378	S	S	.	.	H	α-helix	trans	-66.2	-36.7	172.9	-167.8	-168.1	-56	127.7	10.5	112	G127 N128 L129	G127-R131 WeakPolarHBondContact O-CB 3.49Å; G127-R131 PolarHBondContact O-N 3.25Å; G127-R131 VanDerWaalsContact O-N 3.17Å; N128-R131 PolarHBondContact O-N 3.41Å; N128-R131 VanDerWaalsContact OD1-CZ 3.23Å; N128-R131 PolarHBondContact OD1-NH1 3.34Å; N128-R131 PolarHBondContact OD1-NH2 2.78Å; L129-R131 VanDerWaalsContact C-N 3.29Å; L129-R131 PolarHBondContact O-N 2.97Å
132	H	74.3	Confident	69.9	Low	30 Å²	30	71.7 Å²	71.7	14%	0.139	38%	0.376	C	S	.	.	H	α-helix	trans	-72.6	-39.1	177.8	165.8	83.8	0	0	0	112.4	C116 C119 F123 N128 L129 L130 K134 L135	C116-H132 WeakPolarHBondContact CB-NE2 3.14Å; C116-H132 PolarHBondContact SG-CD2 2.82Å; C116-H132 PolarHBondContact SG-NE2 2.95Å; C119-H132 VanDerWaalsContact SG-CE1 3.53Å; C119-H132 PolarHBondContact SG-NE2 3.36Å; F123-H132 HydrophobicContact CE1-CB 4.14Å; F123-H132 HydrophobicContact CE2-CB 3.82Å; F123-H132 AromaticContact CE2-CD2 3.56Å; F123-H132 AromaticContact CE2-CG 3.59Å; F123-H132 HydrophobicContact CZ-CB 3.48Å; F123-H132 VanDerWaalsContact CZ-CB 3.48Å; F123-H132 AromaticContact CZ-CD2 3.76Å; F123-H132 AromaticContact CZ-CG 3.32Å; F123-H132 AromaticContact CZ-ND1 3.62Å; N128-H132 WeakPolarHBondContact O-CB 3.38Å; N128-H132 PolarHBondContact O-N 3.17Å; L129-H132 CarbonylContact O-C 3.55Å; L129-H132 WeakPolarHBondContact O-CA 3.31Å; L129-H132 WeakPolarHBondContact O-CB 3.39Å; L129-H132 PolarHBondContact O-N 2.98Å; L130-H132 VanDerWaalsContact C-N 3.34Å; H132-K134 VanDerWaalsContact C-N 3.26Å; H132-K134 PolarHBondContact O-N 3.26Å; H132-L135 WeakPolarHBondContact O-CA 3.47Å; H132-L135 WeakPolarHBondContact O-CB 3.42Å; H132-L135 WeakPolarHBondContact O-CG 3.32Å; H132-L135 PolarHBondContact O-N 3.46Å
133	I	68.3	Low	69.7	Low	69 Å²	69	77.2 Å²	77.2	35%	0.354	40%	0.396	S	S	.	.	H	α-helix	trans	-60	-38.5	174.1	-67.8	165.6	0	0	0	110.7	L129 L135 H136	L129-I133 HydrophobicContact CD1-CD1 3.87Å; L129-I133 HydrophobicContact CD1-CG1 4.03Å; L129-I133 HydrophobicContact CD2-CD1 4.48Å; L129-I133 HydrophobicContact CG-CD1 3.85Å; L129-I133 HydrophobicContact CG-CG1 4.42Å; L129-I133 WeakPolarHBondContact O-CG1 3.39Å; L129-I133 PolarHBondContact O-N 2.95Å; I133-L135 PolarHBondContact O-N 3.09Å; I133-H136 PolarHBondContact O-N 3.46Å
134	K	67	Low	69.2	Low	139 Å²	139	75.9 Å²	75.9	60%	0.604	39%	0.392	S	S	*	.	H	α-helix	trans	-64.7	-1	170.1	-68.5	-172.1	178.1	-165.1	0	114.7	L130 H132 R152	L130-K134 PolarHBondContact O-N 3.35Å; H132-K134 VanDerWaalsContact C-N 3.26Å; H132-K134 PolarHBondContact O-N 3.26Å; K134-R152 WeakPolarHBondContact O-CD 3.37Å
135	L	62.1	Low	68.7	Low	88 Å²	88	76.1 Å²	76.1	46%	0.461	40%	0.395	S	S	.	.	H	α-helix	trans	-85.7	-30.5	168.3	-55.9	177.2	0	0	0	112.2	H132 I133 R152	H132-L135 WeakPolarHBondContact O-CA 3.47Å; H132-L135 WeakPolarHBondContact O-CB 3.42Å; H132-L135 WeakPolarHBondContact O-CG 3.32Å; H132-L135 PolarHBondContact O-N 3.46Å; I133-L135 PolarHBondContact O-N 3.09Å; L135-R152 VanDerWaalsContact CA-NH1 3.33Å; L135-R152 PolarHBondContact O-NH1 3.07Å
136	H	63.1	Low	67.6	Low	88 Å²	88	76 Å²	76	41%	0.407	39%	0.393	S	S	.	.	H	α-helix	trans	-75.3	-25.4	179	-63.2	-58.6	0	0	0	113.2	Q118 C119 I133 G138	Q118-H136 VanDerWaalsContact OE1-CB 3.24Å; Q118-H136 PolarHBondContact OE1-CD2 3.39Å; Q118-H136 VanDerWaalsContact OE1-CD2 3.31Å; C119-H136 VanDerWaalsContact CB-NE2 3.29Å; C119-H136 WeakPolarHBondContact CB-NE2 3.47Å; C119-H136 PolarHBondContact SG-NE2 3Å; I133-H136 PolarHBondContact O-N 3.46Å; H136-G138 PolarHBondContact O-N 3.4Å
137	S	62.5	Low	66.8	Low	59 Å²	59	74.3 Å²	74.3	41%	0.413	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-5.8	-179.3	66.4	0	0	0	0	115	E139	S137-E139 PolarHBondContact O-N 3.2Å
138	G	56.4	Low	66	Low	41 Å²	41	78.5 Å²	78.5	42%	0.423	41%	0.412	S	S	.	.			trans	76.5	-45.5	179.4	0	0	0	0	0	114.5	H136 R152	H136-G138 PolarHBondContact O-N 3.4Å; G138-R152 VanDerWaalsContact C-NH2 3.3Å; G138-R152 VanDerWaalsContact CA-NH2 3.31Å; G138-R152 PolarHBondContact O-NE 3.09Å; G138-R152 PolarHBondContact O-NH2 3.4Å
139	E	56.6	Low	65.4	Low	130 Å²	130	81.1 Å²	81.1	61%	0.607	42%	0.42	S	S	*	.			trans	-44.1	143.3	-174	-68.8	162.1	-175.6	0	0	115.6	S137 R152	S137-E139 PolarHBondContact O-N 3.2Å; E139-R152 WeakPolarHBondContact O-CD 3.23Å; E139-R152 WeakPolarHBondContact O-CG 3.36Å; E139-R152 PolarHBondContact O-NE 3.4Å
140	K	68.9	Low	65.1	Low	117 Å²	117	82.2 Å²	82.2	51%	0.509	43%	0.43	S	S	.	.			trans	-133.4	72.4	177.3	-69.8	169.4	175.1	177.1	0	110.2	F142 A150 C151 R152	K140-F142 VanDerWaalsContact C-N 3.27Å; K140-F142 PolarHBondContact O-N 3.11Å; K140-A150 HydrophobicContact CB-CB 3.89Å; K140-A150 HydrophobicContact CD-CB 4.29Å; K140-A150 WeakPolarHBondContact CD-O 3.44Å; K140-C151 CarbonylContact C-O 3.32Å; K140-C151 WeakPolarHBondContact CA-O 3.31Å; K140-R152 HydrophobicContact CG-CG 4.11Å
141	P	70.8	Confident	64.8	Low	86 Å²	86	78.4 Å²	78.4	56%	0.558	41%	0.41	S	S	*	.			trans	-67.2	-20.8	-172.2	24.3	-33.8	0	0	0	114.5	K143	P141-K143 PolarHBondContact O-N 3.07Å
142	F	75	Confident	64.8	Low	49 Å²	49	76.9 Å²	76.9	22%	0.215	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	94.2	-177.8	-57.2	-80.5	0	0	0	110.7	K140 A150 C151 R153 R154 L157	K140-F142 VanDerWaalsContact C-N 3.27Å; K140-F142 PolarHBondContact O-N 3.11Å; F142-A150 WeakPolarHBondContact O-CA 3.1Å; F142-C151 PolarHBondContact N-O 3.47Å; F142-C151 VanDerWaalsContact N-O 3.08Å; F142-C151 PolarHBondContact O-N 3.05Å; F142-C151 PolarHBondContact O-SG 2.9Å; F142-R153 VanDerWaalsContact CD2-C 3.45Å; F142-R153 VanDerWaalsContact CD2-N 3.34Å; F142-R154 HydrophobicContact CD1-CB 4.05Å; F142-R154 HydrophobicContact CE1-CB 3.74Å; F142-R154 HydrophobicContact CE1-CG 4.4Å; F142-R154 HydrophobicContact CZ-CB 4.12Å; F142-L157 HydrophobicContact CB-CB 4.13Å; F142-L157 HydrophobicContact CB-CD2 4.02Å
143	K	65.8	Low	64.6	Low	150 Å²	150	80.4 Å²	80.4	65%	0.652	42%	0.417	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.7	151.5	176.3	-60	176.4	-175.8	171.5	0	111.4	P141 A150 L157	P141-K143 PolarHBondContact O-N 3.07Å; K143-A150 HydrophobicContact CG-CB 4.06Å; K143-L157 VanDerWaalsContact O-CD2 3.32Å; K143-L157 WeakPolarHBondContact O-CD2 3.44Å
144	C	67.8	Low	64.8	Low	12 Å²	12	85.5 Å²	85.5	8%	0.081	43%	0.431	C	S	.	.			trans	-84.1	135.1	168.8	-171.8	0	0	0	0	110.6	F146 C147 Y149 L157 H160 H164	C144-F146 PolarHBondContact O-N 3.36Å; C144-F146 PolarHBondContact SG-N 3.18Å; C144-F146 VanDerWaalsContact SG-N 3.38Å; C144-C147 VanDerWaalsContact O-O 3.07Å; C144-Y149 PolarHBondContact N-O 3.03Å; C144-L157 HydrophobicContact CB-CD1 4.06Å; C144-H160 WeakPolarHBondContact CB-NE2 3.39Å; C144-H160 VanDerWaalsContact SG-CD2 3.6Å; C144-H160 PolarHBondContact SG-NE2 3.01Å; C144-H164 PolarHBondContact SG-NE2 3.01Å; C144-H164 VanDerWaalsContact SG-NE2 3.41Å
145	P	63	Low	65.1	Low	79 Å²	79	83 Å²	83	51%	0.513	43%	0.425	S	S	.	.	S	Bend	trans	-73	-11.9	172.2	30	-35.1	0	0	0	113.4	L161	P145-L161 HydrophobicContact CG-CD2 4.45Å
146	F	55.3	Low	65.5	Low	103 Å²	103	80.5 Å²	80.5	45%	0.452	42%	0.416	S	S	.	.	S	Bend	trans	-110.7	-5.6	-173.7	-54	-58.5	0	0	0	115.2	C144 L161 H164	C144-F146 PolarHBondContact O-N 3.36Å; C144-F146 PolarHBondContact SG-N 3.18Å; C144-F146 VanDerWaalsContact SG-N 3.38Å; F146-L161 HydrophobicContact CD2-CD2 3.89Å; F146-L161 HydrophobicContact CE2-CD2 4Å; F146-H164 AromaticContact CD2-CD2 3.99Å
147	C	59.3	Low	66	Low	36 Å²	36	76.4 Å²	76.4	24%	0.243	40%	0.397	C	S	.	.	S	Bend	trans	-164.8	171.9	172.9	65.2	0	0	0	0	111.3	C144 Y149 H160	C144-C147 VanDerWaalsContact O-O 3.07Å; C147-Y149 PolarHBondContact O-N 3.44Å; C147-H160 VanDerWaalsContact SG-CE1 3.57Å; C147-H160 PolarHBondContact SG-NE2 2.94Å; C147-H160 VanDerWaalsContact SG-NE2 3.36Å
148	S	58.8	Low	66.5	Low	132 Å²	132	76.7 Å²	76.7	92%	0.923	40%	0.397	S	S	*	.	S	Bend	trans	-67	5.9	179.9	55	0	0	0	0	115.7	A150	S148-A150 PolarHBondContact O-N 2.8Å
149	Y	60.4	Low	67	Low	90 Å²	90	76.5 Å²	76.5	35%	0.353	40%	0.395	S	S	.	.			trans	-67.8	127.5	178.3	-176.2	-99.2	0	0	0	111.8	C144 C147 C151 H160	C144-Y149 PolarHBondContact N-O 3.03Å; C147-Y149 PolarHBondContact O-N 3.44Å; Y149-C151 HydrophobicContact CE1-CB 3.76Å; Y149-H160 HydrophobicContact CD1-CB 4.04Å; Y149-H160 AromaticContact CD1-CD2 3.46Å; Y149-H160 VanDerWaalsContact CD1-CD2 3.46Å; Y149-H160 WeakPolarHBondContact CD1-CD2 3.31Å; Y149-H160 AromaticContact CD1-CE1 3.81Å; Y149-H160 AromaticContact CD1-CG 3.44Å; Y149-H160 VanDerWaalsContact CD1-CG 3.44Å; Y149-H160 AromaticContact CD1-ND1 3.67Å; Y149-H160 AromaticContact CD1-NE2 3.69Å; Y149-H160 HydrophobicContact CE1-CB 3.8Å; Y149-H160 AromaticContact CE1-CG 3.72Å; Y149-H160 AromaticContact CG-CE1 3.67Å; Y149-H160 AromaticContact CG-ND1 3.81Å; Y149-H160 AromaticContact CG-NE2 3.83Å
150	A	67.6	Low	67.8	Low	27 Å²	27	71.6 Å²	71.6	22%	0.223	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	141.4	174.1	0	0	0	0	0	111.1	K140 F142 K143 S148	K140-A150 HydrophobicContact CB-CB 3.89Å; K140-A150 HydrophobicContact CD-CB 4.29Å; K140-A150 WeakPolarHBondContact CD-O 3.44Å; F142-A150 WeakPolarHBondContact O-CA 3.1Å; K143-A150 HydrophobicContact CG-CB 4.06Å; S148-A150 PolarHBondContact O-N 2.8Å
151	C	67.4	Low	67.6	Low	9 Å²	9	68.1 Å²	68.1	6%	0.061	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	172.4	-174.6	70.8	0	0	0	0	112.9	K140 F142 Y149 R153 A156	K140-C151 CarbonylContact C-O 3.32Å; K140-C151 WeakPolarHBondContact CA-O 3.31Å; F142-C151 PolarHBondContact N-O 3.47Å; F142-C151 VanDerWaalsContact N-O 3.08Å; F142-C151 PolarHBondContact O-N 3.05Å; F142-C151 PolarHBondContact O-SG 2.9Å; Y149-C151 HydrophobicContact CE1-CB 3.76Å; C151-R153 PolarHBondContact SG-O 3.46Å; C151-A156 HydrophobicContact CB-CB 4.36Å
152	R	70.8	Confident	67.3	Low	80 Å²	80	72 Å²	72	30%	0.302	36%	0.362	S	S	.	.	S	Bend	trans	-97.8	3.3	-173.1	-48.7	-156.2	173.7	125.7	-6	114.6	K134 L135 G138 E139 K140	K134-R152 WeakPolarHBondContact O-CD 3.37Å; L135-R152 VanDerWaalsContact CA-NH1 3.33Å; L135-R152 PolarHBondContact O-NH1 3.07Å; G138-R152 VanDerWaalsContact C-NH2 3.3Å; G138-R152 VanDerWaalsContact CA-NH2 3.31Å; G138-R152 PolarHBondContact O-NE 3.09Å; G138-R152 PolarHBondContact O-NH2 3.4Å; E139-R152 WeakPolarHBondContact O-CD 3.23Å; E139-R152 WeakPolarHBondContact O-CG 3.36Å; E139-R152 PolarHBondContact O-NE 3.4Å; K140-R152 HydrophobicContact CG-CG 4.11Å
153	R	69.3	Low	66.6	Low	104 Å²	104	73.1 Å²	73.1	39%	0.392	37%	0.373	S	S	.	.			trans	-144.2	137.6	-175.6	-55	156.6	56.5	157.9	-0.4	111.6	F142 C151 D155 A156 L157	F142-R153 VanDerWaalsContact CD2-C 3.45Å; F142-R153 VanDerWaalsContact CD2-N 3.34Å; C151-R153 PolarHBondContact SG-O 3.46Å; R153-D155 VanDerWaalsContact C-N 3.33Å; R153-D155 WeakPolarHBondContact CB-OD1 3.29Å; R153-D155 IonicContact CZ-OD1 3.74Å; R153-D155 IonicContact CZ-OD2 2.68Å; R153-D155 IonicContact NE-OD1 2.68Å; R153-D155 PolarHBondContact NE-OD1 3.05Å; R153-D155 IonicContact NE-OD2 3.5Å; R153-D155 IonicContact NH2-OD1 3.54Å; R153-D155 PolarHBondContact NH2-OD1 2.95Å; R153-D155 IonicContact NH2-OD2 3.94Å; R153-D155 PolarHBondContact NH2-OD2 3.12Å; R153-D155 PolarHBondContact O-N 3.41Å; R153-A156 HydrophobicContact CB-CB 4.11Å; R153-A156 PolarHBondContact O-N 3.21Å; R153-L157 PolarHBondContact O-N 2.98Å
154	R	72.1	Confident	66.4	Low	176 Å²	176	66.8 Å²	66.8	66%	0.664	35%	0.346	S	S	*	.	H	α-helix	trans	-58	-41.7	175.4	-173.2	178	-77	171	-5.3	112.4	F142 A156 L157 T158	F142-R154 HydrophobicContact CD1-CB 4.05Å; F142-R154 HydrophobicContact CE1-CB 3.74Å; F142-R154 HydrophobicContact CE1-CG 4.4Å; F142-R154 HydrophobicContact CZ-CB 4.12Å; R154-A156 PolarHBondContact O-N 3.12Å; R154-L157 CarbonylContact O-C 3.58Å; R154-L157 WeakPolarHBondContact O-CA 3.33Å; R154-L157 WeakPolarHBondContact O-CB 3.3Å; R154-L157 PolarHBondContact O-N 3.1Å; R154-L157 VanDerWaalsContact O-N 3.1Å; R154-T158 PolarHBondContact O-N 3.36Å; R154-T158 PolarHBondContact O-OG1 3.02Å; R154-T158 VanDerWaalsContact O-OG1 3.08Å
155	D	73.7	Confident	65.9	Low	88 Å²	88	70.8 Å²	70.8	47%	0.471	37%	0.374	S	S	.	.	H	α-helix	trans	-67.1	-33.7	-179.6	71.9	-39	0	0	0	113.3	R153 L157 T158 G159	R153-D155 VanDerWaalsContact C-N 3.33Å; R153-D155 WeakPolarHBondContact CB-OD1 3.29Å; R153-D155 IonicContact CZ-OD1 3.74Å; R153-D155 IonicContact CZ-OD2 2.68Å; R153-D155 IonicContact NE-OD1 2.68Å; R153-D155 PolarHBondContact NE-OD1 3.05Å; R153-D155 IonicContact NE-OD2 3.5Å; R153-D155 IonicContact NH2-OD1 3.54Å; R153-D155 PolarHBondContact NH2-OD1 2.95Å; R153-D155 IonicContact NH2-OD2 3.94Å; R153-D155 PolarHBondContact NH2-OD2 3.12Å; R153-D155 PolarHBondContact O-N 3.41Å; D155-L157 VanDerWaalsContact C-N 3.34Å; D155-T158 PolarHBondContact O-N 3Å; D155-G159 PolarHBondContact O-N 3.13Å
156	A	70.5	Confident	65.3	Low	34 Å²	34	71.5 Å²	71.5	28%	0.281	38%	0.377	S	S	.	.	H	α-helix	trans	-66.6	-35.9	171.2	0	0	0	0	0	111.8	C151 R153 R154 H160	C151-A156 HydrophobicContact CB-CB 4.36Å; R153-A156 HydrophobicContact CB-CB 4.11Å; R153-A156 PolarHBondContact O-N 3.21Å; R154-A156 PolarHBondContact O-N 3.12Å; A156-H160 VanDerWaalsContact O-CB 3.3Å; A156-H160 WeakPolarHBondContact O-CB 3.32Å; A156-H160 PolarHBondContact O-N 3.09Å
157	L	73.2	Confident	65.3	Low	2 Å²	2	69.8 Å²	69.8	1%	0.01	39%	0.388	C	S	.	.	H	α-helix	trans	-67.2	-47.4	171.2	179.1	61.1	0	0	0	111.3	I85 F142 K143 C144 R153 R154 D155 G159 H160 L161	I85-L157 HydrophobicContact CD1-CD2 3.95Å; F142-L157 HydrophobicContact CB-CB 4.13Å; F142-L157 HydrophobicContact CB-CD2 4.02Å; K143-L157 VanDerWaalsContact O-CD2 3.32Å; K143-L157 WeakPolarHBondContact O-CD2 3.44Å; C144-L157 HydrophobicContact CB-CD1 4.06Å; R153-L157 PolarHBondContact O-N 2.98Å; R154-L157 CarbonylContact O-C 3.58Å; R154-L157 WeakPolarHBondContact O-CA 3.33Å; R154-L157 WeakPolarHBondContact O-CB 3.3Å; R154-L157 PolarHBondContact O-N 3.1Å; R154-L157 VanDerWaalsContact O-N 3.1Å; D155-L157 VanDerWaalsContact C-N 3.34Å; L157-G159 VanDerWaalsContact C-N 3.32Å; L157-G159 PolarHBondContact O-N 2.93Å; L157-H160 CarbonylContact O-C 3.58Å; L157-H160 WeakPolarHBondContact O-CA 3.38Å; L157-H160 WeakPolarHBondContact O-CB 3.34Å; L157-H160 PolarHBondContact O-N 3.4Å; L157-L161 HydrophobicContact CD1-CD1 4.45Å; L157-L161 HydrophobicContact CD1-CG 4.19Å; L157-L161 HydrophobicContact CG-CD1 4.1Å; L157-L161 HydrophobicContact CG-CG 4.32Å; L157-L161 WeakPolarHBondContact O-CG 3.48Å; L157-L161 PolarHBondContact O-N 3.02Å
158	T	72.8	Confident	65.2	Low	65 Å²	65	71.8 Å²	71.8	40%	0.399	39%	0.393	S	S	.	.	H	α-helix	trans	-58.6	-41.9	176.6	-51.5	0	0	0	0	112	R154 D155 L161 R162	R154-T158 PolarHBondContact O-N 3.36Å; R154-T158 PolarHBondContact O-OG1 3.02Å; R154-T158 VanDerWaalsContact O-OG1 3.08Å; D155-T158 PolarHBondContact O-N 3Å; T158-L161 PolarHBondContact O-N 3.42Å; T158-R162 PolarHBondContact O-N 2.93Å
159	G	67.9	Low	65.3	Low	37 Å²	37	70.4 Å²	70.4	38%	0.381	38%	0.381	S	S	.	.	H	α-helix	trans	-64.4	-37.1	173.4	0	0	0	0	0	113.2	D155 L157	D155-G159 PolarHBondContact O-N 3.13Å; L157-G159 VanDerWaalsContact C-N 3.32Å; L157-G159 PolarHBondContact O-N 2.93Å
160	H	73.9	Confident	65.6	Low	28 Å²	28	69 Å²	69	13%	0.13	38%	0.377	C	S	.	.	H	α-helix	trans	-69.1	-40.4	173.9	168.2	75.5	0	0	0	112.6	C144 C147 Y149 A156 L157 R162 T163 H164	C144-H160 WeakPolarHBondContact CB-NE2 3.39Å; C144-H160 VanDerWaalsContact SG-CD2 3.6Å; C144-H160 PolarHBondContact SG-NE2 3.01Å; C147-H160 VanDerWaalsContact SG-CE1 3.57Å; C147-H160 PolarHBondContact SG-NE2 2.94Å; C147-H160 VanDerWaalsContact SG-NE2 3.36Å; Y149-H160 HydrophobicContact CD1-CB 4.04Å; Y149-H160 AromaticContact CD1-CD2 3.46Å; Y149-H160 VanDerWaalsContact CD1-CD2 3.46Å; Y149-H160 WeakPolarHBondContact CD1-CD2 3.31Å; Y149-H160 AromaticContact CD1-CE1 3.81Å; Y149-H160 AromaticContact CD1-CG 3.44Å; Y149-H160 VanDerWaalsContact CD1-CG 3.44Å; Y149-H160 AromaticContact CD1-ND1 3.67Å; Y149-H160 AromaticContact CD1-NE2 3.69Å; Y149-H160 HydrophobicContact CE1-CB 3.8Å; Y149-H160 AromaticContact CE1-CG 3.72Å; Y149-H160 AromaticContact CG-CE1 3.67Å; Y149-H160 AromaticContact CG-ND1 3.81Å; Y149-H160 AromaticContact CG-NE2 3.83Å; A156-H160 VanDerWaalsContact O-CB 3.3Å; A156-H160 WeakPolarHBondContact O-CB 3.32Å; A156-H160 PolarHBondContact O-N 3.09Å; L157-H160 CarbonylContact O-C 3.58Å; L157-H160 WeakPolarHBondContact O-CA 3.38Å; L157-H160 WeakPolarHBondContact O-CB 3.34Å; L157-H160 PolarHBondContact O-N 3.4Å; H160-R162 VanDerWaalsContact C-N 3.26Å; H160-R162 PolarHBondContact O-N 3.19Å; H160-T163 WeakPolarHBondContact O-CA 3.4Å; H160-T163 VanDerWaalsContact O-CB 3.28Å; H160-T163 WeakPolarHBondContact O-CB 3.37Å; H160-T163 WeakPolarHBondContact O-CG2 3.38Å; H160-T163 PolarHBondContact O-N 3.12Å; H160-T163 PolarHBondContact O-OG1 3.02Å; H160-H164 AromaticContact CE1-NE2 3.78Å; H160-H164 AromaticContact NE2-NE2 3.36Å; H160-H164 PolarHBondContact NE2-NE2 2.8Å
161	L	64.4	Low	65.5	Low	44 Å²	44	72 Å²	72	23%	0.23	39%	0.385	C	S	.	.	H	α-helix	trans	-59.4	-37.2	177.9	-72.6	169.9	0	0	0	111.9	P145 F146 L157 T158 T163 H164 S165	P145-L161 HydrophobicContact CG-CD2 4.45Å; F146-L161 HydrophobicContact CD2-CD2 3.89Å; F146-L161 HydrophobicContact CE2-CD2 4Å; L157-L161 HydrophobicContact CD1-CD1 4.45Å; L157-L161 HydrophobicContact CD1-CG 4.19Å; L157-L161 HydrophobicContact CG-CD1 4.1Å; L157-L161 HydrophobicContact CG-CG 4.32Å; L157-L161 WeakPolarHBondContact O-CG 3.48Å; L157-L161 PolarHBondContact O-N 3.02Å; T158-L161 PolarHBondContact O-N 3.42Å; L161-T163 PolarHBondContact O-N 2.9Å; L161-T163 VanDerWaalsContact O-N 3.11Å; L161-H164 WeakPolarHBondContact O-CB 3.38Å; L161-H164 PolarHBondContact O-N 3.43Å; L161-S165 PolarHBondContact O-N 3.33Å
162	R	64.9	Low	65.6	Low	167 Å²	167	71.6 Å²	71.6	63%	0.63	38%	0.383	S	S	*	.	H	α-helix	trans	-58.6	-21.6	171.5	-66.5	173.1	-177	-177.5	-0.6	113.5	T158 H160 H164 S165 V166	T158-R162 PolarHBondContact O-N 2.93Å; H160-R162 VanDerWaalsContact C-N 3.26Å; H160-R162 PolarHBondContact O-N 3.19Å; R162-H164 VanDerWaalsContact C-N 3.33Å; R162-S165 PolarHBondContact O-N 2.96Å; R162-V166 HydrophobicContact CB-CG2 4.2Å; R162-V166 WeakPolarHBondContact O-CB 3.48Å; R162-V166 VanDerWaalsContact O-CG2 3.29Å; R162-V166 WeakPolarHBondContact O-CG2 3.48Å; R162-V166 PolarHBondContact O-N 2.89Å
163	T	59.4	Low	65.3	Low	73 Å²	73	75 Å²	75	45%	0.448	41%	0.406	S	S	.	.	H	α-helix	trans	-75	-20.8	175.1	75.5	0	0	0	0	113.6	H160 L161	H160-T163 WeakPolarHBondContact O-CA 3.4Å; H160-T163 VanDerWaalsContact O-CB 3.28Å; H160-T163 WeakPolarHBondContact O-CB 3.37Å; H160-T163 WeakPolarHBondContact O-CG2 3.38Å; H160-T163 PolarHBondContact O-N 3.12Å; H160-T163 PolarHBondContact O-OG1 3.02Å; L161-T163 PolarHBondContact O-N 2.9Å; L161-T163 VanDerWaalsContact O-N 3.11Å
164	H	61.9	Low	64.7	Low	16 Å²	16	75.6 Å²	75.6	7%	0.074	41%	0.41	C	S	.	.	H	α-helix	trans	-82.3	-39.5	169.2	-63.4	-70.6	0	0	0	111.6	C144 F146 H160 L161 R162 G176 S178	C144-H164 PolarHBondContact SG-NE2 3.01Å; C144-H164 VanDerWaalsContact SG-NE2 3.41Å; F146-H164 AromaticContact CD2-CD2 3.99Å; H160-H164 AromaticContact CE1-NE2 3.78Å; H160-H164 AromaticContact NE2-NE2 3.36Å; H160-H164 PolarHBondContact NE2-NE2 2.8Å; L161-H164 WeakPolarHBondContact O-CB 3.38Å; L161-H164 PolarHBondContact O-N 3.43Å; R162-H164 VanDerWaalsContact C-N 3.33Å; H164-G176 PolarHBondContact CE1-O 3.38Å; H164-G176 PolarHBondContact ND1-O 3.29Å; H164-S178 PolarHBondContact O-OG 3.3Å
165	S	57.6	Low	64	Low	96 Å²	96	69.2 Å²	69.2	67%	0.671	39%	0.391	S	S	*	.	H	α-helix	trans	-104.4	2.6	-162.2	-47	0	0	0	0	117.3	L161 R162	L161-S165 PolarHBondContact O-N 3.33Å; R162-S165 PolarHBondContact O-N 2.96Å
166	V	50.1	Low	63.2	Low	95 Å²	95	65.6 Å²	65.6	58%	0.576	38%	0.375	S	S	*	.	S	Bend	trans	-107.5	114.2	-178.7	175.8	0	0	0	0	112.3	R162 K168	R162-V166 HydrophobicContact CB-CG2 4.2Å; R162-V166 WeakPolarHBondContact O-CB 3.48Å; R162-V166 VanDerWaalsContact O-CG2 3.29Å; R162-V166 WeakPolarHBondContact O-CG2 3.48Å; R162-V166 PolarHBondContact O-N 2.89Å; V166-K168 WeakPolarHBondContact O-CB 3.2Å; V166-K168 VanDerWaalsContact O-CG 3.23Å; V166-K168 WeakPolarHBondContact O-CG 3.41Å; V166-K168 PolarHBondContact O-N 3.11Å; V166-K168 VanDerWaalsContact O-N 3.15Å
167	G	54.3	Low	62.5	Low	67 Å²	67	71.3 Å²	71.3	69%	0.691	39%	0.389	S	S	*	.	S	Bend	trans	56.2	37	152.3	0	0	0	0	0	116.8
168	K	58	Low	62.2	Low	78 Å²	78	71.4 Å²	71.4	34%	0.339	39%	0.39	S	S	.	.			trans	-147.3	88.2	-169.2	-76.7	-174.4	178.2	-170.8	0	111.3	V166 H170 S178 Y179 K180	V166-K168 WeakPolarHBondContact O-CB 3.2Å; V166-K168 VanDerWaalsContact O-CG 3.23Å; V166-K168 WeakPolarHBondContact O-CG 3.41Å; V166-K168 PolarHBondContact O-N 3.11Å; V166-K168 VanDerWaalsContact O-N 3.15Å; K168-H170 PolarHBondContact O-N 2.8Å; K168-S178 VanDerWaalsContact CD-C 3.48Å; K168-S178 WeakPolarHBondContact CD-O 3.31Å; K168-S178 PolarHBondContact NZ-O 3.23Å; K168-Y179 CarbonylContact C-O 3.33Å; K168-Y179 WeakPolarHBondContact CA-O 3.49Å; K168-Y179 VanDerWaalsContact CB-O 3.27Å; K168-Y179 WeakPolarHBondContact CB-O 3.33Å; K168-K180 HydrophobicContact CD-CG 4.44Å; K168-K180 HydrophobicContact CG-CB 4.46Å; K168-K180 HydrophobicContact CG-CG 3.75Å
169	P	60.8	Low	62.2	Low	103 Å²	103	70 Å²	70	67%	0.669	38%	0.378	S	S	*	.			trans	-71.9	-13.9	-171.7	28.1	-34.2	0	0	0	114
170	H	67.3	Low	62.3	Low	60 Å²	60	76 Å²	76	28%	0.278	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	92.4	-176	-58.5	-59.4	0	0	0	110.3	K168 Y179 R182 L185	K168-H170 PolarHBondContact O-N 2.8Å; H170-Y179 PolarHBondContact N-O 3.05Å; H170-Y179 WeakPolarHBondContact O-CB 3.34Å; H170-Y179 PolarHBondContact O-N 2.81Å; H170-R182 PolarHBondContact CD2-N 3.18Å; H170-L185 HydrophobicContact CB-CB 3.94Å; H170-L185 HydrophobicContact CB-CD2 3.78Å; H170-L185 HydrophobicContact CB-CG 4.48Å
171	K	65.5	Low	62.2	Low	90 Å²	90	80.2 Å²	80.2	39%	0.391	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	139.2	178.6	-157.8	172.6	-174	-177.5	0	110.5	G176	K171-G176 WeakPolarHBondContact CE-O 3.05Å
172	C	69.5	Low	62.6	Low	1 Å²	1	86.2 Å²	86.2	1%	0.007	43%	0.433	C	S	.	.			trans	-79.8	119.1	171.5	-176.9	0	0	0	0	110	Y174 C175 G176 R177 Y179 L185 H188 H193	C172-Y174 PolarHBondContact O-N 2.83Å; C172-C175 VanDerWaalsContact SG-SG 3.65Å; C172-G176 VanDerWaalsContact O-CA 3.28Å; C172-G176 WeakPolarHBondContact O-CA 3.44Å; C172-G176 PolarHBondContact O-N 3.45Å; C172-R177 PolarHBondContact N-O 3.46Å; C172-Y179 HydrophobicContact CB-CE2 4.48Å; C172-L185 HydrophobicContact CB-CD1 3.63Å; C172-H188 PolarHBondContact SG-NE2 3.08Å; C172-H188 VanDerWaalsContact SG-NE2 3.43Å; C172-H193 PolarHBondContact SG-CD2 3.23Å; C172-H193 PolarHBondContact SG-NE2 3.49Å
173	N	63.6	Low	63	Low	150 Å²	150	81.8 Å²	81.8	80%	0.802	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-24.1	-179	-64.8	-6.4	0	0	0	112.7
174	Y	56.9	Low	63.5	Low	117 Å²	117	80.2 Å²	80.2	46%	0.459	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-20.7	-177	-50.5	-58.5	0	0	0	114.5	C172 H193 L196	C172-Y174 PolarHBondContact O-N 2.83Å; Y174-H193 HydrophobicContact CD2-CB 3.79Å; Y174-H193 AromaticContact CD2-CG 3.8Å; Y174-H193 HydrophobicContact CE2-CB 4.33Å; Y174-L196 HydrophobicContact CD1-CD1 3.48Å; Y174-L196 VanDerWaalsContact CD1-CD1 3.48Å; Y174-L196 HydrophobicContact CD2-CD1 4.23Å; Y174-L196 HydrophobicContact CE1-CB 4.1Å; Y174-L196 HydrophobicContact CE1-CD1 3.5Å; Y174-L196 VanDerWaalsContact CE1-CD1 3.5Å; Y174-L196 HydrophobicContact CE1-CG 4.37Å; Y174-L196 HydrophobicContact CE2-CB 4.04Å; Y174-L196 HydrophobicContact CE2-CD1 4.23Å; Y174-L196 HydrophobicContact CG-CD1 3.87Å
175	C	58.3	Low	64.1	Low	42 Å²	42	80 Å²	80	28%	0.284	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138.8	7.4	-179.7	70	0	0	0	0	115.2	C172 R177 H188 H193	C172-C175 VanDerWaalsContact SG-SG 3.65Å; C175-R177 PolarHBondContact O-N 3.38Å; C175-R177 VanDerWaalsContact O-N 3.09Å; C175-R177 VanDerWaalsContact SG-CB 3.52Å; C175-H188 PolarHBondContact SG-NE2 2.88Å; C175-H193 PolarHBondContact SG-NE2 2.91Å
176	G	56.5	Low	64.7	Low	12 Å²	12	77.1 Å²	77.1	12%	0.124	40%	0.395	C	S	.	.			trans	68.8	2.9	177.3	0	0	0	0	0	115.6	H164 K171 C172	H164-G176 PolarHBondContact CE1-O 3.38Å; H164-G176 PolarHBondContact ND1-O 3.29Å; K171-G176 WeakPolarHBondContact CE-O 3.05Å; C172-G176 VanDerWaalsContact O-CA 3.28Å; C172-G176 WeakPolarHBondContact O-CA 3.44Å; C172-G176 PolarHBondContact O-N 3.45Å
177	R	56.1	Low	65.5	Low	154 Å²	154	77.1 Å²	77.1	58%	0.581	39%	0.388	S	S	*	.			trans	-82.2	127.9	-170.4	-162.6	169	-172.4	-174.1	5.4	111.3	C172 C175 Y179	C172-R177 PolarHBondContact N-O 3.46Å; C175-R177 PolarHBondContact O-N 3.38Å; C175-R177 VanDerWaalsContact O-N 3.09Å; C175-R177 VanDerWaalsContact SG-CB 3.52Å; R177-Y179 HydrophobicContact CB-CE2 4Å; R177-Y179 WeakPolarHBondContact CD-OH 3.34Å; R177-Y179 HydrophobicContact CG-CE2 3.95Å; R177-Y179 WeakPolarHBondContact O-CD2 3.3Å; R177-Y179 VanDerWaalsContact O-CE2 3.31Å; R177-Y179 WeakPolarHBondContact O-CE2 3.45Å
178	S	67.3	Low	66.4	Low	4 Å²	4	74.6 Å²	74.6	3%	0.028	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	144.8	-175.2	-47.4	0	0	0	0	112.7	H164 K168	H164-S178 PolarHBondContact O-OG 3.3Å; K168-S178 VanDerWaalsContact CD-C 3.48Å; K168-S178 WeakPolarHBondContact CD-O 3.31Å; K168-S178 PolarHBondContact NZ-O 3.23Å
179	Y	71	Confident	66.8	Low	36 Å²	36	72.9 Å²	72.9	14%	0.141	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	146.7	-178	-66.3	-95	0	0	0	112.6	K168 H170 C172 R177 S184 L185 H188	K168-Y179 CarbonylContact C-O 3.33Å; K168-Y179 WeakPolarHBondContact CA-O 3.49Å; K168-Y179 VanDerWaalsContact CB-O 3.27Å; K168-Y179 WeakPolarHBondContact CB-O 3.33Å; H170-Y179 PolarHBondContact N-O 3.05Å; H170-Y179 WeakPolarHBondContact O-CB 3.34Å; H170-Y179 PolarHBondContact O-N 2.81Å; C172-Y179 HydrophobicContact CB-CE2 4.48Å; R177-Y179 HydrophobicContact CB-CE2 4Å; R177-Y179 WeakPolarHBondContact CD-OH 3.34Å; R177-Y179 HydrophobicContact CG-CE2 3.95Å; R177-Y179 WeakPolarHBondContact O-CD2 3.3Å; R177-Y179 VanDerWaalsContact O-CE2 3.31Å; R177-Y179 WeakPolarHBondContact O-CE2 3.45Å; Y179-S184 WeakPolarHBondContact CD1-O 2.97Å; Y179-S184 WeakPolarHBondContact CE1-O 3.34Å; Y179-L185 HydrophobicContact CD2-CB 4.22Å; Y179-L185 HydrophobicContact CD2-CD1 3.93Å; Y179-L185 HydrophobicContact CE2-CD1 4.33Å; Y179-L185 HydrophobicContact CG-CB 4.17Å; Y179-H188 HydrophobicContact CE1-CB 3.87Å; Y179-H188 HydrophobicContact CE2-CB 4.26Å; Y179-H188 AromaticContact CE2-CD2 3.26Å; Y179-H188 WeakPolarHBondContact CE2-CD2 3.03Å; Y179-H188 AromaticContact CE2-CG 3.88Å; Y179-H188 AromaticContact CE2-NE2 3.96Å; Y179-H188 AromaticContact CZ-CD2 3.34Å; Y179-H188 AromaticContact CZ-CG 3.45Å; Y179-H188 VanDerWaalsContact CZ-CG 3.45Å; Y179-H188 PolarHBondContact OH-CD2 3.42Å; Y179-H188 PolarHBondContact OH-ND1 2.92Å
180	K	70.3	Confident	66.9	Low	162 Å²	162	73.3 Å²	73.3	70%	0.704	34%	0.344	S	S	*	.	S	Bend	trans	-74.2	-31.1	-178.5	-76.6	-170.5	174	-172.7	0	113.1	K168	K168-K180 HydrophobicContact CD-CG 4.44Å; K168-K180 HydrophobicContact CG-CB 4.46Å; K168-K180 HydrophobicContact CG-CG 3.75Å
181	Q	72.5	Confident	66.4	Low	118 Å²	118	79 Å²	79	55%	0.551	36%	0.363	S	S	*	.	S	Bend	trans	-130.8	150.6	-175.8	-66.1	177.3	-12.5	0	0	109.6	S183 S184 L185	Q181-S183 VanDerWaalsContact C-N 3.33Å; Q181-S183 PolarHBondContact O-N 2.72Å; Q181-S183 PolarHBondContact OE1-OG 2.98Å; Q181-S184 PolarHBondContact O-N 3.49Å; Q181-L185 PolarHBondContact O-N 2.77Å
182	R	72.8	Confident	66	Low	170 Å²	170	78.4 Å²	78.4	64%	0.642	37%	0.369	S	S	*	.	H	α-helix	trans	-63.7	-39.4	178.4	-174.1	175.3	175.1	168.7	-2.6	111.7	H170 S184 L185 E186	H170-R182 PolarHBondContact CD2-N 3.18Å; R182-S184 VanDerWaalsContact C-N 3.34Å; R182-S184 PolarHBondContact O-N 3.45Å; R182-L185 WeakPolarHBondContact O-CB 3.42Å; R182-L185 PolarHBondContact O-N 2.8Å; R182-L185 VanDerWaalsContact O-N 3.08Å; R182-E186 PolarHBondContact O-N 3.47Å
183	S	72.4	Confident	65.9	Low	73 Å²	73	80.1 Å²	80.1	51%	0.51	38%	0.377	S	S	.	.	H	α-helix	trans	-52.8	-47.6	173.8	45.9	0	0	0	0	112.6	Q181 L185 E186 E187	Q181-S183 VanDerWaalsContact C-N 3.33Å; Q181-S183 PolarHBondContact O-N 2.72Å; Q181-S183 PolarHBondContact OE1-OG 2.98Å; S183-L185 VanDerWaalsContact C-N 3.31Å; S183-L185 PolarHBondContact O-N 2.87Å; S183-E186 PolarHBondContact O-N 3.43Å; S183-E187 WeakPolarHBondContact O-CB 3.29Å; S183-E187 PolarHBondContact O-N 3.44Å
184	S	71.4	Confident	65.7	Low	41 Å²	41	76.2 Å²	76.2	29%	0.287	36%	0.356	S	S	.	.	H	α-helix	trans	-71.3	-22.8	178.6	-43.1	0	0	0	0	113.8	Y179 Q181 R182 H188	Y179-S184 WeakPolarHBondContact CD1-O 2.97Å; Y179-S184 WeakPolarHBondContact CE1-O 3.34Å; Q181-S184 PolarHBondContact O-N 3.49Å; R182-S184 VanDerWaalsContact C-N 3.34Å; R182-S184 PolarHBondContact O-N 3.45Å; S184-H188 VanDerWaalsContact O-CB 3.28Å; S184-H188 WeakPolarHBondContact O-CB 3.5Å; S184-H188 PolarHBondContact O-N 3.03Å
185	L	73.4	Confident	65.2	Low	12 Å²	12	76.4 Å²	76.4	6%	0.063	36%	0.357	C	S	.	.	H	α-helix	trans	-73.8	-44.1	168	170.5	62.1	0	0	0	110.2	H170 C172 Y179 Q181 R182 S183 H188 K189	H170-L185 HydrophobicContact CB-CB 3.94Å; H170-L185 HydrophobicContact CB-CD2 3.78Å; H170-L185 HydrophobicContact CB-CG 4.48Å; C172-L185 HydrophobicContact CB-CD1 3.63Å; Y179-L185 HydrophobicContact CD2-CB 4.22Å; Y179-L185 HydrophobicContact CD2-CD1 3.93Å; Y179-L185 HydrophobicContact CE2-CD1 4.33Å; Y179-L185 HydrophobicContact CG-CB 4.17Å; Q181-L185 PolarHBondContact O-N 2.77Å; R182-L185 WeakPolarHBondContact O-CB 3.42Å; R182-L185 PolarHBondContact O-N 2.8Å; R182-L185 VanDerWaalsContact O-N 3.08Å; S183-L185 VanDerWaalsContact C-N 3.31Å; S183-L185 PolarHBondContact O-N 2.87Å; L185-H188 CarbonylContact O-C 3.54Å; L185-H188 WeakPolarHBondContact O-CB 3.25Å; L185-H188 PolarHBondContact O-N 3.36Å; L185-K189 HydrophobicContact CD1-CG 4.39Å; L185-K189 WeakPolarHBondContact O-CG 3.12Å; L185-K189 PolarHBondContact O-N 3.38Å
186	E	69.6	Low	64.6	Low	34 Å²	34	78 Å²	78	16%	0.159	36%	0.363	C	S	.	.	H	α-helix	trans	-67.8	-46.5	-178.2	-130.9	67.6	179.7	0	0	111.3	R182 S183 H188 K189 E190 Q197	R182-E186 PolarHBondContact O-N 3.47Å; S183-E186 PolarHBondContact O-N 3.43Å; E186-H188 PolarHBondContact O-N 3.46Å; E186-K189 CarbonylContact O-C 3.4Å; E186-K189 WeakPolarHBondContact O-CA 3.33Å; E186-K189 WeakPolarHBondContact O-CB 3.48Å; E186-K189 PolarHBondContact O-N 2.95Å; E186-K189 IonicContact OE1-NZ 3.5Å; E186-K189 PolarHBondContact OE1-NZ 2.78Å; E186-K189 WeakPolarHBondContact OE2-CE 3.19Å; E186-K189 IonicContact OE2-NZ 3.55Å; E186-K189 PolarHBondContact OE2-NZ 3.04Å; E186-E190 WeakPolarHBondContact O-CB 3.3Å; E186-E190 WeakPolarHBondContact O-CG 3.24Å; E186-E190 PolarHBondContact O-N 3.11Å; E186-Q197 PolarHBondContact OE1-NE2 3.31Å
187	E	68.4	Low	64.2	Low	95 Å²	95	80.1 Å²	80.1	44%	0.444	37%	0.369	S	S	.	.	H	α-helix	trans	-56.7	-34	171	-172.2	-166.1	-176.6	0	0	111.7	S183 R191	S183-E187 WeakPolarHBondContact O-CB 3.29Å; S183-E187 PolarHBondContact O-N 3.44Å; E187-R191 WeakPolarHBondContact O-CB 3.37Å; E187-R191 PolarHBondContact O-N 3.14Å; E187-R191 IonicContact OE1-CZ 3.17Å; E187-R191 IonicContact OE1-NH1 3.59Å; E187-R191 PolarHBondContact OE1-NH1 3.49Å; E187-R191 IonicContact OE1-NH2 2.92Å
188	H	72.4	Confident	63.5	Low	15 Å²	15	75.8 Å²	75.8	7%	0.069	36%	0.358	C	S	.	.	H	α-helix	trans	-72.1	-39.4	173.3	162.8	49.6	0	0	0	112.7	C172 C175 Y179 S184 L185 E186 C192 H193	C172-H188 PolarHBondContact SG-NE2 3.08Å; C172-H188 VanDerWaalsContact SG-NE2 3.43Å; C175-H188 PolarHBondContact SG-NE2 2.88Å; Y179-H188 HydrophobicContact CE1-CB 3.87Å; Y179-H188 HydrophobicContact CE2-CB 4.26Å; Y179-H188 AromaticContact CE2-CD2 3.26Å; Y179-H188 WeakPolarHBondContact CE2-CD2 3.03Å; Y179-H188 AromaticContact CE2-CG 3.88Å; Y179-H188 AromaticContact CE2-NE2 3.96Å; Y179-H188 AromaticContact CZ-CD2 3.34Å; Y179-H188 AromaticContact CZ-CG 3.45Å; Y179-H188 VanDerWaalsContact CZ-CG 3.45Å; Y179-H188 PolarHBondContact OH-CD2 3.42Å; Y179-H188 PolarHBondContact OH-ND1 2.92Å; S184-H188 VanDerWaalsContact O-CB 3.28Å; S184-H188 WeakPolarHBondContact O-CB 3.5Å; S184-H188 PolarHBondContact O-N 3.03Å; L185-H188 CarbonylContact O-C 3.54Å; L185-H188 WeakPolarHBondContact O-CB 3.25Å; L185-H188 PolarHBondContact O-N 3.36Å; E186-H188 PolarHBondContact O-N 3.46Å; H188-C192 PolarHBondContact ND1-SG 2.96Å; H188-C192 VanDerWaalsContact ND1-SG 3.4Å; H188-C192 WeakPolarHBondContact O-CA 3.32Å; H188-C192 WeakPolarHBondContact O-CB 3.46Å; H188-C192 PolarHBondContact O-N 3.43Å; H188-H193 AromaticContact CE1-CD2 3.56Å; H188-H193 AromaticContact CE1-NE2 3.3Å; H188-H193 PolarHBondContact CE1-NE2 3.02Å; H188-H193 VanDerWaalsContact CE1-NE2 3.3Å; H188-H193 AromaticContact NE2-CD2 3.6Å; H188-H193 AromaticContact NE2-NE2 3.38Å; H188-H193 PolarHBondContact NE2-NE2 3.14Å
189	K	66.4	Low	62.4	Low	42 Å²	42	79.4 Å²	79.4	18%	0.183	38%	0.379	C	S	.	.	H	α-helix	trans	-62.5	-49.6	171.1	-65.7	175.6	-169.2	162.3	0	109.9	L185 E186 R191 C192 H193 N194	L185-K189 HydrophobicContact CD1-CG 4.39Å; L185-K189 WeakPolarHBondContact O-CG 3.12Å; L185-K189 PolarHBondContact O-N 3.38Å; E186-K189 CarbonylContact O-C 3.4Å; E186-K189 WeakPolarHBondContact O-CA 3.33Å; E186-K189 WeakPolarHBondContact O-CB 3.48Å; E186-K189 PolarHBondContact O-N 2.95Å; E186-K189 IonicContact OE1-NZ 3.5Å; E186-K189 PolarHBondContact OE1-NZ 2.78Å; E186-K189 WeakPolarHBondContact OE2-CE 3.19Å; E186-K189 IonicContact OE2-NZ 3.55Å; E186-K189 PolarHBondContact OE2-NZ 3.04Å; K189-R191 VanDerWaalsContact C-N 3.3Å; K189-R191 PolarHBondContact O-N 3.2Å; K189-C192 PolarHBondContact O-N 3.11Å; K189-H193 CarbonylContact O-C 3.55Å; K189-H193 VanDerWaalsContact O-CA 3.25Å; K189-H193 WeakPolarHBondContact O-CA 3.44Å; K189-H193 PolarHBondContact O-N 2.95Å; K189-N194 WeakPolarHBondContact O-CA 3.23Å; K189-N194 PolarHBondContact O-N 3.02Å
190	E	62	Low	60.9	Low	112 Å²	112	82.1 Å²	82.1	52%	0.523	40%	0.403	S	S	.	.	H	α-helix	trans	-62.2	-33.1	179.6	-70	168.8	-168.6	0	0	112.9	E186 N194	E186-E190 WeakPolarHBondContact O-CB 3.3Å; E186-E190 WeakPolarHBondContact O-CG 3.24Å; E186-E190 PolarHBondContact O-N 3.11Å; E190-N194 WeakPolarHBondContact CA-ND2 3.5Å; E190-N194 WeakPolarHBondContact O-CB 3.4Å; E190-N194 PolarHBondContact O-ND2 3.12Å
191	R	57.6	Low	59.4	Low	180 Å²	180	80.4 Å²	80.4	68%	0.679	40%	0.399	S	S	*	.	H	α-helix	trans	-90.9	-20.9	177.4	-170.5	172.7	-75.8	122.3	-6.1	114.7	E187 K189	E187-R191 WeakPolarHBondContact O-CB 3.37Å; E187-R191 PolarHBondContact O-N 3.14Å; E187-R191 IonicContact OE1-CZ 3.17Å; E187-R191 IonicContact OE1-NH1 3.59Å; E187-R191 PolarHBondContact OE1-NH1 3.49Å; E187-R191 IonicContact OE1-NH2 2.92Å; K189-R191 VanDerWaalsContact C-N 3.3Å; K189-R191 PolarHBondContact O-N 3.2Å
192	C	58.1	Low	57.7	Low	76 Å²	76	82 Å²	82	51%	0.514	41%	0.407	S	S	.	.	H	α-helix	trans	-129.2	-13.5	-172	-53.2	0	0	0	0	115.8	H188 K189	H188-C192 PolarHBondContact ND1-SG 2.96Å; H188-C192 VanDerWaalsContact ND1-SG 3.4Å; H188-C192 WeakPolarHBondContact O-CA 3.32Å; H188-C192 WeakPolarHBondContact O-CB 3.46Å; H188-C192 PolarHBondContact O-N 3.43Å; K189-C192 PolarHBondContact O-N 3.11Å
193	H	66.9	Low	56.1	Low	37 Å²	37	78.4 Å²	78.4	17%	0.171	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	-141.7	16.5	-174.7	-57	-63.4	0	0	0	113.2	C172 Y174 C175 H188 K189 Y195 L196	C172-H193 PolarHBondContact SG-CD2 3.23Å; C172-H193 PolarHBondContact SG-NE2 3.49Å; Y174-H193 HydrophobicContact CD2-CB 3.79Å; Y174-H193 AromaticContact CD2-CG 3.8Å; Y174-H193 HydrophobicContact CE2-CB 4.33Å; C175-H193 PolarHBondContact SG-NE2 2.91Å; H188-H193 AromaticContact CE1-CD2 3.56Å; H188-H193 AromaticContact CE1-NE2 3.3Å; H188-H193 PolarHBondContact CE1-NE2 3.02Å; H188-H193 VanDerWaalsContact CE1-NE2 3.3Å; H188-H193 AromaticContact NE2-CD2 3.6Å; H188-H193 AromaticContact NE2-NE2 3.38Å; H188-H193 PolarHBondContact NE2-NE2 3.14Å; K189-H193 CarbonylContact O-C 3.55Å; K189-H193 VanDerWaalsContact O-CA 3.25Å; K189-H193 WeakPolarHBondContact O-CA 3.44Å; K189-H193 PolarHBondContact O-N 2.95Å; H193-Y195 PolarHBondContact O-N 3.01Å; H193-L196 PolarHBondContact O-N 2.83Å
194	N	59.2	Low	54.5	Low	69 Å²	69	78.1 Å²	78.1	37%	0.369	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.8	-43.7	-166.2	-161.8	-78.2	0	0	0	113.4	K189 E190 L196 Q197 N198	K189-N194 WeakPolarHBondContact O-CA 3.23Å; K189-N194 PolarHBondContact O-N 3.02Å; E190-N194 WeakPolarHBondContact CA-ND2 3.5Å; E190-N194 WeakPolarHBondContact O-CB 3.4Å; E190-N194 PolarHBondContact O-ND2 3.12Å; N194-L196 VanDerWaalsContact C-N 3.31Å; N194-L196 PolarHBondContact O-N 2.65Å; N194-Q197 PolarHBondContact O-N 3.31Å; N194-N198 PolarHBondContact O-N 2.9Å; N194-N198 PolarHBondContact OD1-ND2 2.9Å
195	Y	46.1	Very low	52.9	Low	120 Å²	120	79.8 Å²	79.8	47%	0.471	44%	0.44	S	S	.	.	H	α-helix	trans	-42.7	-51	173.9	-178.6	-85.7	0	0	0	113.4	H193 Q197 N198 V199 D222	H193-Y195 PolarHBondContact O-N 3.01Å; Y195-Q197 PolarHBondContact O-N 2.91Å; Y195-N198 PolarHBondContact O-N 3.48Å; Y195-V199 HydrophobicContact CE1-CG2 4.29Å; Y195-V199 WeakPolarHBondContact O-CG2 3.2Å; Y195-V199 PolarHBondContact O-N 3.47Å; Y195-D222 WeakPolarHBondContact CE2-OD2 3.24Å; Y195-D222 PolarHBondContact OH-OD1 3.22Å; Y195-D222 PolarHBondContact OH-OD2 2.85Å
196	L	46.6	Very low	51.1	Low	77 Å²	77	87.9 Å²	87.9	40%	0.403	48%	0.477	S	S	.	.	H	α-helix	trans	-76	-6.2	-174.1	-63.3	172.5	0	0	0	114.1	Y174 H193 N194	Y174-L196 HydrophobicContact CD1-CD1 3.48Å; Y174-L196 VanDerWaalsContact CD1-CD1 3.48Å; Y174-L196 HydrophobicContact CD2-CD1 4.23Å; Y174-L196 HydrophobicContact CE1-CB 4.1Å; Y174-L196 HydrophobicContact CE1-CD1 3.5Å; Y174-L196 VanDerWaalsContact CE1-CD1 3.5Å; Y174-L196 HydrophobicContact CE1-CG 4.37Å; Y174-L196 HydrophobicContact CE2-CB 4.04Å; Y174-L196 HydrophobicContact CE2-CD1 4.23Å; Y174-L196 HydrophobicContact CG-CD1 3.87Å; H193-L196 PolarHBondContact O-N 2.83Å; N194-L196 VanDerWaalsContact C-N 3.31Å; N194-L196 PolarHBondContact O-N 2.65Å
197	Q	46.8	Very low	49.4	Very low	55 Å²	55	93.2 Å²	93.2	26%	0.257	51%	0.511	S	S	.	.	H	α-helix	trans	-101.4	-27.4	175.3	-163.2	152.2	3.4	0	0	112.1	E186 N194 Y195 S200	E186-Q197 PolarHBondContact OE1-NE2 3.31Å; N194-Q197 PolarHBondContact O-N 3.31Å; Y195-Q197 PolarHBondContact O-N 2.91Å; Q197-S200 WeakPolarHBondContact O-CB 3.44Å; Q197-S200 PolarHBondContact O-N 3.5Å
198	N	42	Very low	47.5	Very low	64 Å²	64	95.6 Å²	95.6	34%	0.342	52%	0.524	S	S	.	.	H	α-helix	trans	-75.1	-36.4	175.7	-60.5	-18.1	0	0	0	112.4	N194 Y195 S200 M201 E202	N194-N198 PolarHBondContact O-N 2.9Å; N194-N198 PolarHBondContact OD1-ND2 2.9Å; Y195-N198 PolarHBondContact O-N 3.48Å; N198-S200 PolarHBondContact O-N 3.16Å; N198-M201 PolarHBondContact O-N 3.35Å; N198-E202 PolarHBondContact O-N 3.4Å
199	V	44	Very low	45.7	Very low	80 Å²	80	100.2 Å²	100.2	49%	0.485	56%	0.559	S	S	.	*	T	Hydrogen-bonded Turn	trans	-56.3	-24.9	172.1	174.2	0	0	0	0	112	Y195	Y195-V199 HydrophobicContact CE1-CG2 4.29Å; Y195-V199 WeakPolarHBondContact O-CG2 3.2Å; Y195-V199 PolarHBondContact O-N 3.47Å
200	S	40.8	Very low	44	Very low	92 Å²	92	106 Å²	106	64%	0.643	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79	-13.4	174.1	-171.5	0	0	0	0	114.6	Q197 N198	Q197-S200 WeakPolarHBondContact O-CB 3.44Å; Q197-S200 PolarHBondContact O-N 3.5Å; N198-S200 PolarHBondContact O-N 3.16Å
201	M	38.7	Very low	42.3	Very low	126 Å²	126	110.1 Å²	110.1	62%	0.621	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.4	-19.1	-178.1	-62.1	-156.9	-60.1	0	0	113.5	N198 A203 A204	N198-M201 PolarHBondContact O-N 3.35Å; M201-A203 PolarHBondContact O-N 3.09Å; M201-A204 CarbonylContact O-C 3.42Å; M201-A204 VanDerWaalsContact O-C 3.32Å; M201-A204 WeakPolarHBondContact O-CA 3.49Å; M201-A204 PolarHBondContact O-N 3.32Å
202	E	35.9	Very low	41.2	Very low	151 Å²	151	105 Å²	105	71%	0.706	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.4	-22.2	168.7	-71.7	173.2	162.1	0	0	112	N198 A204	N198-E202 PolarHBondContact O-N 3.4Å; E202-A204 PolarHBondContact O-N 2.98Å
203	A	38.4	Very low	39.8	Very low	95 Å²	95	109.8 Å²	109.8	79%	0.785	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.7	-7.9	166.9	0	0	0	0	0	114.6	M201	M201-A203 PolarHBondContact O-N 3.09Å
204	A	38.6	Very low	38.4	Very low	68 Å²	68	118 Å²	118	56%	0.562	66%	0.658	S	S	*	*	S	Bend	trans	-133.1	67	-177.5	0	0	0	0	0	110.2	M201 E202 Q206	M201-A204 CarbonylContact O-C 3.42Å; M201-A204 VanDerWaalsContact O-C 3.32Å; M201-A204 WeakPolarHBondContact O-CA 3.49Å; M201-A204 PolarHBondContact O-N 3.32Å; E202-A204 PolarHBondContact O-N 2.98Å; A204-Q206 PolarHBondContact O-N 3.47Å
205	G	39.5	Very low	37	Very low	76 Å²	76	122 Å²	122	78%	0.784	68%	0.678	S	S	*	*			trans	-53.7	97.6	-164.9	0	0	0	0	0	116.4
206	Q	34.7	Very low	35.9	Very low	182 Å²	182	122.3 Å²	122.3	85%	0.85	69%	0.686	S	S	*	*			trans	-125.9	125.4	164.4	-79.6	-174.1	-45	0	0	110.5	A204 M208	A204-Q206 PolarHBondContact O-N 3.47Å; Q206-M208 PolarHBondContact O-N 3.35Å
207	V	33.5	Very low	35	Very low	145 Å²	145	128.2 Å²	128.2	88%	0.879	70%	0.703	S	S	*	*			trans	-81.9	115.2	179.9	178.6	0	0	0	0	109.7
208	M	28.7	Very low	34.1	Very low	145 Å²	145	132.9 Å²	132.9	71%	0.714	72%	0.722	S	S	*	*			trans	-93.4	113.6	170.7	-79.4	-69.9	-71.7	0	0	110.8	Q206 H210	Q206-M208 PolarHBondContact O-N 3.35Å; M208-H210 PolarHBondContact O-N 3.43Å
209	S	35.7	Very low	33.6	Very low	113 Å²	113	132.6 Å²	132.6	79%	0.79	73%	0.726	S	S	*	*			trans	-80.4	111.6	173.1	47.3	0	0	0	0	110.8
210	H	30.5	Very low	32.8	Very low	162 Å²	162	135.8 Å²	135.8	75%	0.75	73%	0.73	S	S	*	*			trans	-97.4	115	174.5	-80.3	-88.3	0	0	0	111.5	M208 G212	M208-H210 PolarHBondContact O-N 3.43Å; H210-G212 PolarHBondContact O-N 3.32Å
211	H	26.8	Very low	32.5	Very low	199 Å²	199	134.9 Å²	134.9	92%	0.921	72%	0.722	S	S	*	*			trans	-89.1	104	-178.8	-159.1	86.7	0	0	0	110.6
212	G	33.2	Very low	32.3	Very low	73 Å²	73	133.5 Å²	133.5	75%	0.753	72%	0.717	S	S	*	*	S	Bend	trans	72.1	62.7	153.9	0	0	0	0	0	118.9	H210	H210-G212 PolarHBondContact O-N 3.32Å
213	E	29.8	Very low	32.2	Very low	176 Å²	176	129 Å²	129	82%	0.822	70%	0.698	S	S	*	*			trans	-141.8	132.2	153	-126.3	173.9	-149.8	0	0	111.8	L215	E213-L215 PolarHBondContact O-N 3.34Å; E213-L215 VanDerWaalsContact O-N 3.13Å
214	K	36.3	Very low	32.1	Very low	210 Å²	210	132.6 Å²	132.6	91%	0.913	70%	0.697	S	S	*	*			trans	-85.5	79.9	-171.3	-71.9	-172.2	175	-172.2	0	112
215	L	30.2	Very low	31.7	Very low	152 Å²	152	136.6 Å²	136.6	80%	0.796	70%	0.702	S	S	*	*			trans	-71.9	127.7	169.8	-80.6	93.2	0	0	0	111.9	E213 R217	E213-L215 PolarHBondContact O-N 3.34Å; E213-L215 VanDerWaalsContact O-N 3.13Å; L215-R217 PolarHBondContact O-N 3.4Å
216	M	23.1	Very low	31.4	Very low	128 Å²	128	136.9 Å²	136.9	63%	0.631	69%	0.686	S	S	*	*			trans	-74.9	103.7	173.4	-63.4	-179	57.7	0	0	110.1	F218 Y253	M216-F218 HydrophobicContact CE-CE2 4.14Å; M216-F218 PolarHBondContact O-N 3.39Å; M216-F218 VanDerWaalsContact O-N 3.11Å; M216-Y253 WeakPolarHBondContact CB-OH 3.15Å; M216-Y253 HydrophobicContact CE-CE1 4.24Å; M216-Y253 WeakPolarHBondContact CE-OH 3.43Å; M216-Y253 HydrophobicContact CG-CE1 4.24Å; M216-Y253 VanDerWaalsContact CG-OH 3.24Å; M216-Y253 WeakPolarHBondContact CG-OH 3.44Å
217	R	27.9	Very low	31.4	Very low	201 Å²	201	136.9 Å²	136.9	76%	0.758	69%	0.688	S	S	*	*			trans	-85.9	77.9	-167.6	-162.1	176.4	-167.9	154.2	2.2	113.4	L215 S219	L215-R217 PolarHBondContact O-N 3.4Å; R217-S219 PolarHBondContact O-N 3.11Å
218	F	28.6	Very low	31.7	Very low	152 Å²	152	136.7 Å²	136.7	67%	0.667	68%	0.682	S	S	*	*			trans	-90.6	94.6	167.9	-74.9	-77.1	0	0	0	111.2	M216	M216-F218 HydrophobicContact CE-CE2 4.14Å; M216-F218 PolarHBondContact O-N 3.39Å; M216-F218 VanDerWaalsContact O-N 3.11Å
219	S	30.9	Very low	32.3	Very low	59 Å²	59	133.3 Å²	133.3	41%	0.413	67%	0.667	S	S	.	*			trans	-138.7	121.3	174.9	53.8	0	0	0	0	109.7	R217 P221 Q245	R217-S219 PolarHBondContact O-N 3.11Å; S219-P221 WeakPolarHBondContact O-CD 3.38Å; S219-Q245 PolarHBondContact O-NE2 2.84Å
220	Y	27.9	Very low	32.8	Very low	147 Å²	147	131.8 Å²	131.8	58%	0.576	65%	0.653	S	S	*	*			trans	-70.2	123.8	164.1	-75.9	-104.6	0	0	0	107.8	M242	Y220-M242 HydrophobicContact CE1-CE 3.75Å; Y220-M242 HydrophobicContact CE1-SD 4.08Å; Y220-M242 WeakPolarHBondContact OH-CE 3.39Å
221	P	34.5	Very low	33.5	Very low	72 Å²	72	133.1 Å²	133.1	47%	0.468	65%	0.653	S	S	.	*			trans	-66.9	169.3	159	-9.9	28.9	0	0	0	110.5	S219 I223 H241	S219-P221 WeakPolarHBondContact O-CD 3.38Å; P221-I223 PolarHBondContact O-N 2.84Å; P221-I223 VanDerWaalsContact O-N 3.14Å; P221-H241 WeakPolarHBondContact CD-CE1 3.33Å; P221-H241 WeakPolarHBondContact CD-NE2 3.31Å; P221-H241 WeakPolarHBondContact CG-NE2 3.37Å
222	D	34.3	Very low	34.3	Very low	97 Å²	97	130.5 Å²	130.5	52%	0.519	64%	0.641	S	S	.	*			trans	-74.8	105	-165.1	-59.3	-71.6	0	0	0	114.1	Y195 H224	Y195-D222 WeakPolarHBondContact CE2-OD2 3.24Å; Y195-D222 PolarHBondContact OH-OD1 3.22Å; Y195-D222 PolarHBondContact OH-OD2 2.85Å; D222-H224 VanDerWaalsContact C-N 3.28Å; D222-H224 PolarHBondContact O-N 3.08Å
223	I	32.8	Very low	34.9	Very low	58 Å²	58	132.9 Å²	132.9	30%	0.297	63%	0.63	S	S	.	*			trans	-70.5	93.2	154.6	-57.9	178.4	0	0	0	106.9	P221 F225 M238	P221-I223 PolarHBondContact O-N 2.84Å; P221-I223 VanDerWaalsContact O-N 3.14Å; I223-F225 HydrophobicContact CG2-CD2 4.2Å; I223-F225 HydrophobicContact CG2-CE2 4.06Å; I223-F225 HydrophobicContact CG2-CZ 4.43Å; I223-F225 PolarHBondContact O-N 3.36Å; I223-M238 HydrophobicContact CD1-CB 4.27Å; I223-M238 HydrophobicContact CD1-CG 4.14Å
224	H	36.7	Very low	35.6	Very low	169 Å²	169	127.1 Å²	127.1	78%	0.782	60%	0.603	S	S	*	*			trans	-62.9	101.7	166.3	-109.1	-90.3	0	0	0	108.9	D222 D226	D222-H224 VanDerWaalsContact C-N 3.28Å; D222-H224 PolarHBondContact O-N 3.08Å; H224-D226 VanDerWaalsContact C-N 3.25Å; H224-D226 PolarHBondContact O-N 2.97Å
225	F	30.4	Very low	36.3	Very low	152 Å²	152	119 Å²	119	67%	0.667	58%	0.575	S	S	*	*			trans	-69.4	82.9	169.6	-84.1	-83.2	0	0	0	109.9	I223 M227 E234	I223-F225 HydrophobicContact CG2-CD2 4.2Å; I223-F225 HydrophobicContact CG2-CE2 4.06Å; I223-F225 HydrophobicContact CG2-CZ 4.43Å; I223-F225 PolarHBondContact O-N 3.36Å; F225-M227 PolarHBondContact O-N 3.09Å; F225-E234 WeakPolarHBondContact CD1-OE1 3.34Å
226	D	32.9	Very low	37.3	Very low	83 Å²	83	118 Å²	118	44%	0.444	57%	0.567	S	S	.	*			trans	-72.7	113.2	162.8	-178.4	-4.3	0	0	0	108.6	H224 N228 L229	H224-D226 VanDerWaalsContact C-N 3.25Å; H224-D226 PolarHBondContact O-N 2.97Å; D226-N228 PolarHBondContact O-N 3.29Å; D226-N228 PolarHBondContact OD1-N 3.25Å; D226-N228 PolarHBondContact OD1-ND2 3.41Å; D226-L229 HydrophobicContact CB-CD1 4.18Å; D226-L229 PolarHBondContact O-N 2.84Å; D226-L229 VanDerWaalsContact O-N 3.11Å
227	M	35.3	Very low	38.8	Very low	182 Å²	182	116.3 Å²	116.3	90%	0.897	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.7	0.4	-178.2	-75.2	-79.7	-64	0	0	115	F225	F225-M227 PolarHBondContact O-N 3.09Å
228	N	39.7	Very low	39.9	Very low	140 Å²	140	111.4 Å²	111.4	75%	0.749	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.6	-4	178.8	-57.6	-77	0	0	0	114.5	D226	D226-N228 PolarHBondContact O-N 3.29Å; D226-N228 PolarHBondContact OD1-N 3.25Å; D226-N228 PolarHBondContact OD1-ND2 3.41Å
229	L	41.2	Very low	41.1	Very low	75 Å²	75	108.6 Å²	108.6	39%	0.393	54%	0.536	S	S	.	.	S	Bend	trans	-75	144.1	176	-101.2	73.6	0	0	0	112.2	D226 K233 E234	D226-L229 HydrophobicContact CB-CD1 4.18Å; D226-L229 PolarHBondContact O-N 2.84Å; D226-L229 VanDerWaalsContact O-N 3.11Å; L229-K233 HydrophobicContact CD2-CB 4.11Å; L229-E234 HydrophobicContact CB-CG 3.88Å; L229-E234 HydrophobicContact CD2-CG 4.4Å
230	T	47	Very low	42.2	Very low	81 Å²	81	108.4 Å²	108.4	50%	0.497	53%	0.534	S	S	.	.			trans	-77.4	135.2	169.1	49.2	0	0	0	0	110	E232 K233 E234	T230-E232 PolarHBondContact O-N 2.98Å; T230-K233 WeakPolarHBondContact O-CB 3.33Å; T230-K233 PolarHBondContact O-N 3.49Å; T230-E234 PolarHBondContact O-N 3.31Å
231	Y	43.6	Very low	43.6	Very low	189 Å²	189	103.1 Å²	103.1	74%	0.741	52%	0.515	S	S	*	.	H	α-helix	trans	-43.2	-37.4	-176.2	-179	-109.8	0	0	0	115.3	K233 E234 A235	Y231-K233 PolarHBondContact O-N 3.31Å; Y231-E234 PolarHBondContact O-N 3.01Å; Y231-A235 PolarHBondContact O-N 2.97Å
232	E	43.5	Very low	44.4	Very low	145 Å²	145	102.4 Å²	102.4	68%	0.678	51%	0.506	S	S	*	.	H	α-helix	trans	-61.6	-40.7	177.4	-64.2	169.2	158.5	0	0	112.3	T230 A235 E236	T230-E232 PolarHBondContact O-N 2.98Å; E232-A235 PolarHBondContact O-N 2.83Å; E232-E236 WeakPolarHBondContact O-CG 3.44Å; E232-E236 PolarHBondContact O-N 3.21Å
233	K	46.3	Very low	45.5	Very low	122 Å²	122	98.3 Å²	98.3	53%	0.53	48%	0.484	S	S	.	.	H	α-helix	trans	-74.7	-32.4	177.6	-68	-177.2	174.7	-178.1	0	112.9	L229 T230 Y231 A235 L237	L229-K233 HydrophobicContact CD2-CB 4.11Å; T230-K233 WeakPolarHBondContact O-CB 3.33Å; T230-K233 PolarHBondContact O-N 3.49Å; Y231-K233 PolarHBondContact O-N 3.31Å; K233-A235 VanDerWaalsContact C-N 3.3Å; K233-L237 WeakPolarHBondContact O-CB 3.29Å; K233-L237 PolarHBondContact O-N 3.22Å
234	E	44.1	Very low	46.7	Very low	55 Å²	55	100 Å²	100	26%	0.257	49%	0.493	S	S	.	.	H	α-helix	trans	-63.3	-41	171.1	-59.4	-172.6	121.7	0	0	110.6	F225 L229 T230 Y231 M238	F225-E234 WeakPolarHBondContact CD1-OE1 3.34Å; L229-E234 HydrophobicContact CB-CG 3.88Å; L229-E234 HydrophobicContact CD2-CG 4.4Å; T230-E234 PolarHBondContact O-N 3.31Å; Y231-E234 PolarHBondContact O-N 3.01Å; E234-M238 VanDerWaalsContact O-CB 3.23Å; E234-M238 WeakPolarHBondContact O-CB 3.41Å; E234-M238 PolarHBondContact O-N 3.15Å
235	A	50.7	Low	47.7	Very low	39 Å²	39	93.2 Å²	93.2	32%	0.322	46%	0.462	S	S	.	.	H	α-helix	trans	-66.4	-43.8	176.4	0	0	0	0	0	112.4	Y231 E232 K233 M238 Q239	Y231-A235 PolarHBondContact O-N 2.97Å; E232-A235 PolarHBondContact O-N 2.83Å; K233-A235 VanDerWaalsContact C-N 3.3Å; A235-M238 PolarHBondContact O-N 2.76Å; A235-Q239 VanDerWaalsContact O-CB 3.3Å; A235-Q239 WeakPolarHBondContact O-CB 3.35Å; A235-Q239 PolarHBondContact O-N 3.17Å
236	E	53	Low	48.9	Very low	131 Å²	131	87.7 Å²	87.7	61%	0.612	44%	0.444	S	S	*	.	H	α-helix	trans	-58.5	-49.2	174.4	-74.1	172.3	165.4	0	0	112	E232 Q239 S240	E232-E236 WeakPolarHBondContact O-CG 3.44Å; E232-E236 PolarHBondContact O-N 3.21Å; E236-Q239 PolarHBondContact O-N 3.15Å; E236-S240 PolarHBondContact O-N 3.23Å; E236-S240 PolarHBondContact O-OG 3.05Å
237	L	53.7	Low	50.1	Low	93 Å²	93	85.1 Å²	85.1	49%	0.487	43%	0.43	S	S	.	.	H	α-helix	trans	-66.3	-39	179.9	-177.1	64.1	0	0	0	112.5	K233 Q239 S240 H241	K233-L237 WeakPolarHBondContact O-CB 3.29Å; K233-L237 PolarHBondContact O-N 3.22Å; L237-Q239 VanDerWaalsContact C-N 3.33Å; L237-S240 PolarHBondContact O-OG 3.5Å; L237-S240 VanDerWaalsContact O-OG 3.1Å; L237-H241 WeakPolarHBondContact O-CB 3.46Å; L237-H241 PolarHBondContact O-N 2.95Å
238	M	51.5	Low	51.2	Low	99 Å²	99	81 Å²	81	49%	0.488	41%	0.412	S	S	.	.	H	α-helix	trans	-66.1	-37.5	174.2	-178.2	174.4	57.1	0	0	111.4	I223 E234 A235 M242	I223-M238 HydrophobicContact CD1-CB 4.27Å; I223-M238 HydrophobicContact CD1-CG 4.14Å; E234-M238 VanDerWaalsContact O-CB 3.23Å; E234-M238 WeakPolarHBondContact O-CB 3.41Å; E234-M238 PolarHBondContact O-N 3.15Å; A235-M238 PolarHBondContact O-N 2.76Å; M238-M242 HydrophobicContact CG-CG 4.43Å; M238-M242 VanDerWaalsContact O-CB 3.31Å; M238-M242 WeakPolarHBondContact O-CB 3.4Å; M238-M242 WeakPolarHBondContact O-CG 3.3Å; M238-M242 PolarHBondContact O-N 3.25Å
239	Q	53	Low	51.9	Low	92 Å²	92	75.5 Å²	75.5	43%	0.43	38%	0.382	S	S	.	.	H	α-helix	trans	-68.7	-45.6	178.2	-176	172.6	-65.5	0	0	112	A235 E236 L237 M242 M243 I270	A235-Q239 VanDerWaalsContact O-CB 3.3Å; A235-Q239 WeakPolarHBondContact O-CB 3.35Å; A235-Q239 PolarHBondContact O-N 3.17Å; E236-Q239 PolarHBondContact O-N 3.15Å; L237-Q239 VanDerWaalsContact C-N 3.33Å; Q239-M242 PolarHBondContact O-N 2.81Å; Q239-M243 VanDerWaalsContact O-CB 3.29Å; Q239-M243 WeakPolarHBondContact O-CB 3.44Å; Q239-M243 PolarHBondContact O-N 2.8Å; Q239-M243 VanDerWaalsContact O-N 3.12Å; Q239-I270 HydrophobicContact CG-CD1 4.43Å
240	S	54.4	Low	52.7	Low	55 Å²	55	72.1 Å²	72.1	39%	0.385	37%	0.365	S	S	.	.	H	α-helix	trans	-63.6	-43.4	176	62.5	0	0	0	0	111.5	E236 L237 M242 M243 D244	E236-S240 PolarHBondContact O-N 3.23Å; E236-S240 PolarHBondContact O-OG 3.05Å; L237-S240 PolarHBondContact O-OG 3.5Å; L237-S240 VanDerWaalsContact O-OG 3.1Å; S240-M242 PolarHBondContact O-N 3.3Å; S240-M243 VanDerWaalsContact O-CB 3.3Å; S240-M243 WeakPolarHBondContact O-CB 3.36Å; S240-M243 PolarHBondContact O-N 3.32Å; S240-M243 VanDerWaalsContact O-N 3.12Å; S240-D244 PolarHBondContact O-N 3.37Å
241	H	56.8	Low	53.3	Low	36 Å²	36	70.6 Å²	70.6	17%	0.167	35%	0.354	C	S	.	.	H	α-helix	trans	-62.1	-46	176.9	176.4	-90	0	0	0	112.7	P221 L237 M243 D244 Q245	P221-H241 WeakPolarHBondContact CD-CE1 3.33Å; P221-H241 WeakPolarHBondContact CD-NE2 3.31Å; P221-H241 WeakPolarHBondContact CG-NE2 3.37Å; L237-H241 WeakPolarHBondContact O-CB 3.46Å; L237-H241 PolarHBondContact O-N 2.95Å; H241-M243 PolarHBondContact O-N 3.41Å; H241-D244 PolarHBondContact O-N 2.57Å; H241-Q245 WeakPolarHBondContact O-CB 3.44Å; H241-Q245 PolarHBondContact O-N 3.05Å
242	M	50.8	Low	54.1	Low	58 Å²	58	66.7 Å²	66.7	29%	0.286	35%	0.349	S	S	.	.	H	α-helix	trans	-57.5	-32.6	175.8	-76.8	-100.4	62.3	0	0	112.3	Y220 M238 Q239 S240 A246 I270	Y220-M242 HydrophobicContact CE1-CE 3.75Å; Y220-M242 HydrophobicContact CE1-SD 4.08Å; Y220-M242 WeakPolarHBondContact OH-CE 3.39Å; M238-M242 HydrophobicContact CG-CG 4.43Å; M238-M242 VanDerWaalsContact O-CB 3.31Å; M238-M242 WeakPolarHBondContact O-CB 3.4Å; M238-M242 WeakPolarHBondContact O-CG 3.3Å; M238-M242 PolarHBondContact O-N 3.25Å; Q239-M242 PolarHBondContact O-N 2.81Å; S240-M242 PolarHBondContact O-N 3.3Å; M242-A246 WeakPolarHBondContact O-CB 3.34Å; M242-A246 PolarHBondContact O-N 3.29Å; M242-A246 VanDerWaalsContact O-N 3.09Å; M242-I270 HydrophobicContact CB-CD1 3.71Å
243	M	58.8	Low	54.4	Low	11 Å²	11	63.9 Å²	63.9	5%	0.054	33%	0.333	C	S	.	.	H	α-helix	trans	-76.1	-48.2	-178.8	-170.1	164.7	176.6	0	0	112.5	Q239 S240 H241 Q245 A246 I247 P267 T269 I270 V273	Q239-M243 VanDerWaalsContact O-CB 3.29Å; Q239-M243 WeakPolarHBondContact O-CB 3.44Å; Q239-M243 PolarHBondContact O-N 2.8Å; Q239-M243 VanDerWaalsContact O-N 3.12Å; S240-M243 VanDerWaalsContact O-CB 3.3Å; S240-M243 WeakPolarHBondContact O-CB 3.36Å; S240-M243 PolarHBondContact O-N 3.32Å; S240-M243 VanDerWaalsContact O-N 3.12Å; H241-M243 PolarHBondContact O-N 3.41Å; M243-Q245 VanDerWaalsContact C-N 3.26Å; M243-Q245 PolarHBondContact O-N 3.41Å; M243-A246 PolarHBondContact O-N 3.24Å; M243-A246 VanDerWaalsContact O-N 3.13Å; M243-I247 HydrophobicContact CG-CD1 4.3Å; M243-I247 WeakPolarHBondContact O-CG1 3.29Å; M243-I247 PolarHBondContact O-N 3.11Å; M243-P267 HydrophobicContact CE-CB 3.44Å; M243-P267 VanDerWaalsContact CE-CB 3.44Å; M243-P267 HydrophobicContact CE-CG 3.54Å; M243-P267 WeakPolarHBondContact CE-O 3.46Å; M243-T269 VanDerWaalsContact CE-O 3.23Å; M243-T269 WeakPolarHBondContact CE-O 3.47Å; M243-I270 HydrophobicContact CB-CD1 4.48Å; M243-I270 HydrophobicContact CB-CG1 3.8Å; M243-I270 HydrophobicContact CG-CG1 4.08Å; M243-I270 HydrophobicContact SD-CG1 4.31Å; M243-V273 HydrophobicContact CE-CG2 3.58Å
244	D	57.1	Low	55.1	Low	92 Å²	92	59.2 Å²	59.2	49%	0.492	31%	0.314	S	S	.	.	H	α-helix	trans	-57.3	-41.8	172.3	-75.6	-33.7	0	0	0	111.2	S240 H241 I247 N248	S240-D244 PolarHBondContact O-N 3.37Å; H241-D244 PolarHBondContact O-N 2.57Å; D244-I247 PolarHBondContact O-N 3.14Å; D244-N248 WeakPolarHBondContact O-CB 3.07Å; D244-N248 PolarHBondContact O-N 3.36Å; D244-N248 PolarHBondContact O-ND2 3.37Å
245	Q	57.1	Low	55.8	Low	28 Å²	28	58.1 Å²	58.1	13%	0.131	32%	0.318	C	S	.	.	H	α-helix	trans	-65.5	-38.1	176.5	178.2	154.6	58.4	0	0	112.7	S219 H241 M243 N249	S219-Q245 PolarHBondContact O-NE2 2.84Å; H241-Q245 WeakPolarHBondContact O-CB 3.44Å; H241-Q245 PolarHBondContact O-N 3.05Å; M243-Q245 VanDerWaalsContact C-N 3.26Å; M243-Q245 PolarHBondContact O-N 3.41Å; Q245-N249 WeakPolarHBondContact CG-ND2 3.19Å; Q245-N249 VanDerWaalsContact O-CB 3.29Å; Q245-N249 WeakPolarHBondContact O-CB 3.41Å; Q245-N249 PolarHBondContact O-N 3.19Å; Q245-N249 VanDerWaalsContact O-N 3.08Å; Q245-N249 PolarHBondContact O-ND2 2.7Å
246	A	55.6	Low	56.3	Low	35 Å²	35	58.3 Å²	58.3	29%	0.289	32%	0.319	S	S	.	.	H	α-helix	trans	-64.7	-43.4	175.6	0	0	0	0	0	111.8	M242 M243 A250	M242-A246 WeakPolarHBondContact O-CB 3.34Å; M242-A246 PolarHBondContact O-N 3.29Å; M242-A246 VanDerWaalsContact O-N 3.09Å; M243-A246 PolarHBondContact O-N 3.24Å; M243-A246 VanDerWaalsContact O-N 3.13Å; A246-A250 WeakPolarHBondContact O-CB 3.43Å; A246-A250 PolarHBondContact O-N 3.36Å
247	I	59.2	Low	56.8	Low	29 Å²	29	61 Å²	61	15%	0.149	33%	0.331	C	S	.	.	H	α-helix	trans	-65.5	-51	178.9	-66.3	165.7	0	0	0	110.7	M243 D244 N249 A250 I251 P267 V273	M243-I247 HydrophobicContact CG-CD1 4.3Å; M243-I247 WeakPolarHBondContact O-CG1 3.29Å; M243-I247 PolarHBondContact O-N 3.11Å; D244-I247 PolarHBondContact O-N 3.14Å; I247-N249 VanDerWaalsContact C-N 3.34Å; I247-N249 PolarHBondContact O-N 3.15Å; I247-A250 PolarHBondContact O-N 3.13Å; I247-A250 VanDerWaalsContact O-N 3.12Å; I247-I251 HydrophobicContact CG2-CD1 3.78Å; I247-I251 HydrophobicContact CG2-CG1 4.43Å; I247-I251 WeakPolarHBondContact O-CG1 3.3Å; I247-I251 PolarHBondContact O-N 3.17Å; I247-P267 HydrophobicContact CD1-CG 4.32Å; I247-V273 HydrophobicContact CD1-CG2 4.32Å; I247-V273 HydrophobicContact CG1-CG1 3.97Å
248	N	57.7	Low	57.2	Low	96 Å²	96	58.6 Å²	58.6	51%	0.513	33%	0.325	S	S	.	.	H	α-helix	trans	-61.5	-39.4	180	-79.3	-70	0	0	0	112.7	D244 T252	D244-N248 WeakPolarHBondContact O-CB 3.07Å; D244-N248 PolarHBondContact O-N 3.36Å; D244-N248 PolarHBondContact O-ND2 3.37Å; N248-T252 PolarHBondContact O-N 3.21Å; N248-T252 VanDerWaalsContact O-N 3.11Å; N248-T252 PolarHBondContact O-OG1 3.22Å
249	N	55.8	Low	57.7	Low	24 Å²	24	53.9 Å²	53.9	13%	0.128	30%	0.302	C	S	.	.	H	α-helix	trans	-62.4	-47.8	172.2	-81.7	-43.2	0	0	0	111.3	Q245 I247 I251 T252 Y253	Q245-N249 WeakPolarHBondContact CG-ND2 3.19Å; Q245-N249 VanDerWaalsContact O-CB 3.29Å; Q245-N249 WeakPolarHBondContact O-CB 3.41Å; Q245-N249 PolarHBondContact O-N 3.19Å; Q245-N249 VanDerWaalsContact O-N 3.08Å; Q245-N249 PolarHBondContact O-ND2 2.7Å; I247-N249 VanDerWaalsContact C-N 3.34Å; I247-N249 PolarHBondContact O-N 3.15Å; N249-I251 PolarHBondContact O-N 3.23Å; N249-T252 WeakPolarHBondContact O-CA 3.39Å; N249-T252 WeakPolarHBondContact O-CB 3.45Å; N249-T252 PolarHBondContact O-N 2.92Å; N249-Y253 HydrophobicContact CB-CE2 4.45Å; N249-Y253 WeakPolarHBondContact O-CD2 3.42Å; N249-Y253 PolarHBondContact O-N 2.71Å
250	A	57.2	Low	58.2	Low	4 Å²	4	54.3 Å²	54.3	3%	0.033	30%	0.304	C	S	.	.	H	α-helix	trans	-62.5	-40.9	-179.6	0	0	0	0	0	112.5	A246 I247 T252 Y253 L254 L259 I277	A246-A250 WeakPolarHBondContact O-CB 3.43Å; A246-A250 PolarHBondContact O-N 3.36Å; I247-A250 PolarHBondContact O-N 3.13Å; I247-A250 VanDerWaalsContact O-N 3.12Å; A250-T252 PolarHBondContact O-N 2.85Å; A250-Y253 PolarHBondContact O-N 3.45Å; A250-L254 WeakPolarHBondContact O-CB 3.43Å; A250-L254 PolarHBondContact O-N 2.87Å; A250-L259 HydrophobicContact CB-CD1 3.49Å; A250-L259 VanDerWaalsContact CB-CD1 3.49Å; A250-I277 HydrophobicContact CB-CD1 3.67Å; A250-I277 HydrophobicContact CB-CG1 3.85Å; A250-I277 HydrophobicContact CB-CG2 4.02Å
251	I	59.7	Low	58.5	Low	50 Å²	50	55.2 Å²	55.2	26%	0.256	31%	0.309	S	S	.	.	H	α-helix	trans	-58.4	-37	172.4	-69	169.9	0	0	0	110.9	I247 N249 Y253 G255 A256 L259	I247-I251 HydrophobicContact CG2-CD1 3.78Å; I247-I251 HydrophobicContact CG2-CG1 4.43Å; I247-I251 WeakPolarHBondContact O-CG1 3.3Å; I247-I251 PolarHBondContact O-N 3.17Å; N249-I251 PolarHBondContact O-N 3.23Å; I251-Y253 PolarHBondContact O-N 3.32Å; I251-G255 CarbonylContact O-C 3.12Å; I251-G255 WeakPolarHBondContact O-CA 3.36Å; I251-G255 PolarHBondContact O-N 3.33Å; I251-A256 HydrophobicContact CG2-CB 4.16Å; I251-L259 HydrophobicContact CG1-CD1 3.86Å
252	T	59.6	Low	58.6	Low	106 Å²	106	54.4 Å²	54.4	65%	0.65	31%	0.305	S	S	*	.	H	α-helix	trans	-69.5	-29.3	179.4	-56.4	0	0	0	0	113.3	N248 N249 A250	N248-T252 PolarHBondContact O-N 3.21Å; N248-T252 VanDerWaalsContact O-N 3.11Å; N248-T252 PolarHBondContact O-OG1 3.22Å; N249-T252 WeakPolarHBondContact O-CA 3.39Å; N249-T252 WeakPolarHBondContact O-CB 3.45Å; N249-T252 PolarHBondContact O-N 2.92Å; A250-T252 PolarHBondContact O-N 2.85Å
253	Y	51.4	Low	58.9	Low	87 Å²	87	57.4 Å²	57.4	34%	0.341	32%	0.32	S	S	.	.	H	α-helix	trans	-94.9	-38.5	178.6	-65.3	-69.4	0	0	0	114.1	M216 N249 A250 I251 Y281	M216-Y253 WeakPolarHBondContact CB-OH 3.15Å; M216-Y253 HydrophobicContact CE-CE1 4.24Å; M216-Y253 WeakPolarHBondContact CE-OH 3.43Å; M216-Y253 HydrophobicContact CG-CE1 4.24Å; M216-Y253 VanDerWaalsContact CG-OH 3.24Å; M216-Y253 WeakPolarHBondContact CG-OH 3.44Å; N249-Y253 HydrophobicContact CB-CE2 4.45Å; N249-Y253 WeakPolarHBondContact O-CD2 3.42Å; N249-Y253 PolarHBondContact O-N 2.71Å; A250-Y253 PolarHBondContact O-N 3.45Å; I251-Y253 PolarHBondContact O-N 3.32Å; Y253-Y281 VanDerWaalsContact CB-OH 3.25Å; Y253-Y281 WeakPolarHBondContact CB-OH 3.5Å
254	L	60.7	Low	59	Low	23 Å²	23	62.7 Å²	62.7	12%	0.12	35%	0.345	C	S	.	.	H	α-helix	trans	-98.9	-16.7	-173.3	-61.8	170.5	0	0	0	113.2	A250 A258 L259 A280 Y281 V284	A250-L254 WeakPolarHBondContact O-CB 3.43Å; A250-L254 PolarHBondContact O-N 2.87Å; L254-A258 HydrophobicContact CB-CB 4.02Å; L254-A258 WeakPolarHBondContact O-CB 3.46Å; L254-L259 HydrophobicContact CB-CD1 4.44Å; L254-L259 HydrophobicContact CB-CG 4.46Å; L254-L259 HydrophobicContact CD1-CD1 4.23Å; L254-L259 HydrophobicContact CD1-CD2 3.9Å; L254-L259 HydrophobicContact CD1-CG 4.23Å; L254-A280 HydrophobicContact CD1-CB 3.78Å; L254-Y281 HydrophobicContact CD1-CD2 3.76Å; L254-Y281 HydrophobicContact CD1-CE2 3.79Å; L254-Y281 HydrophobicContact CD1-CG 4.29Å; L254-Y281 HydrophobicContact CD2-CD1 3.82Å; L254-Y281 HydrophobicContact CD2-CD2 4.2Å; L254-Y281 HydrophobicContact CD2-CE1 3.95Å; L254-Y281 HydrophobicContact CD2-CE2 4.32Å; L254-Y281 HydrophobicContact CD2-CG 3.94Å; L254-Y281 HydrophobicContact CG-CD2 4.3Å; L254-Y281 HydrophobicContact CG-CE1 4.41Å; L254-Y281 HydrophobicContact CG-CE2 4.1Å; L254-V284 HydrophobicContact CD2-CB 4.44Å; L254-V284 HydrophobicContact CD2-CG2 4.13Å
255	G	58.7	Low	59	Low	33 Å²	33	65.1 Å²	65.1	34%	0.34	35%	0.353	S	S	.	.			trans	81.6	153.8	-167.2	0	0	0	0	0	112.2	I251 E257 A258	I251-G255 CarbonylContact O-C 3.12Å; I251-G255 WeakPolarHBondContact O-CA 3.36Å; I251-G255 PolarHBondContact O-N 3.33Å; G255-E257 VanDerWaalsContact C-N 3.29Å; G255-E257 PolarHBondContact O-N 2.88Å; G255-A258 PolarHBondContact O-N 2.82Å
256	A	61.5	Low	59	Low	42 Å²	42	68.7 Å²	68.7	35%	0.347	39%	0.387	S	S	.	.	S	Bend	trans	-62.8	-35.7	179.4	0	0	0	0	0	112.4	I251 A258 L259 H260 M263	I251-A256 HydrophobicContact CG2-CB 4.16Å; A256-A258 VanDerWaalsContact C-N 3.35Å; A256-A258 PolarHBondContact O-N 3.03Å; A256-L259 CarbonylContact O-C 3.56Å; A256-L259 PolarHBondContact O-N 2.84Å; A256-H260 PolarHBondContact O-N 3.42Å; A256-H260 VanDerWaalsContact O-N 3.09Å; A256-M263 HydrophobicContact CB-SD 4.03Å
257	E	62	Low	59.2	Low	187 Å²	187	68.9 Å²	68.9	87%	0.874	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-60	-41.1	-179.1	-62.1	175.6	173.6	0	0	112.5	G255 L259 H260	G255-E257 VanDerWaalsContact C-N 3.29Å; G255-E257 PolarHBondContact O-N 2.88Å; E257-L259 PolarHBondContact O-N 2.82Å; E257-H260 WeakPolarHBondContact O-CB 3.13Å; E257-H260 PolarHBondContact O-N 3.27Å
258	A	62	Low	59	Low	43 Å²	43	71.3 Å²	71.3	36%	0.355	41%	0.405	S	S	.	.	G	3₁₀ helix	trans	-70.5	-13.6	178.1	0	0	0	0	0	113.7	L254 G255 A256	L254-A258 HydrophobicContact CB-CB 4.02Å; L254-A258 WeakPolarHBondContact O-CB 3.46Å; G255-A258 PolarHBondContact O-N 2.82Å; A256-A258 VanDerWaalsContact C-N 3.35Å; A256-A258 PolarHBondContact O-N 3.03Å
259	L	62	Low	59	Low	1 Å²	1	68.9 Å²	68.9	1%	0.005	39%	0.394	C	S	.	.	G	3₁₀ helix	trans	-118.6	14.4	-179.1	-62.1	175.4	0	0	0	112.8	A250 I251 L254 A256 E257 P261 L262 M263 I277 A280	A250-L259 HydrophobicContact CB-CD1 3.49Å; A250-L259 VanDerWaalsContact CB-CD1 3.49Å; I251-L259 HydrophobicContact CG1-CD1 3.86Å; L254-L259 HydrophobicContact CB-CD1 4.44Å; L254-L259 HydrophobicContact CB-CG 4.46Å; L254-L259 HydrophobicContact CD1-CD1 4.23Å; L254-L259 HydrophobicContact CD1-CD2 3.9Å; L254-L259 HydrophobicContact CD1-CG 4.23Å; A256-L259 CarbonylContact O-C 3.56Å; A256-L259 PolarHBondContact O-N 2.84Å; E257-L259 PolarHBondContact O-N 2.82Å; L259-P261 VanDerWaalsContact C-N 3.26Å; L259-P261 VanDerWaalsContact O-N 3.09Å; L259-L262 HydrophobicContact CB-CD1 4.44Å; L259-L262 HydrophobicContact CD2-CD1 4.11Å; L259-L262 WeakPolarHBondContact O-CB 3.23Å; L259-L262 PolarHBondContact O-N 3.16Å; L259-M263 PolarHBondContact O-N 3.05Å; L259-I277 HydrophobicContact CD2-CG1 4.4Å; L259-A280 HydrophobicContact CD2-CB 3.81Å
260	H	64	Low	58.9	Low	101 Å²	101	70.9 Å²	70.9	47%	0.468	40%	0.404	S	S	.	.	H	α-helix	trans	-47.2	-36.5	177.2	-172.1	-103.9	0	0	0	114.6	A256 E257 L262 M263 Q264	A256-H260 PolarHBondContact O-N 3.42Å; A256-H260 VanDerWaalsContact O-N 3.09Å; E257-H260 WeakPolarHBondContact O-CB 3.13Å; E257-H260 PolarHBondContact O-N 3.27Å; H260-L262 VanDerWaalsContact C-N 3.31Å; H260-L262 PolarHBondContact O-N 3.2Å; H260-M263 WeakPolarHBondContact O-CB 3.49Å; H260-M263 PolarHBondContact O-N 3.22Å; H260-Q264 PolarHBondContact CE1-NE2 2.94Å; H260-Q264 PolarHBondContact O-N 3.03Å
261	P	60.7	Low	58.8	Low	74 Å²	74	74.5 Å²	74.5	48%	0.481	43%	0.433	S	S	.	.	H	α-helix	trans	-60.1	-33.4	173.3	-25.5	36.5	0	0	0	114.7	L259 M263 Q264	L259-P261 VanDerWaalsContact C-N 3.26Å; L259-P261 VanDerWaalsContact O-N 3.09Å; P261-M263 VanDerWaalsContact C-N 3.3Å; P261-Q264 PolarHBondContact O-N 3.05Å
262	L	58.8	Low	58.6	Low	18 Å²	18	76.6 Å²	76.6	9%	0.094	44%	0.442	C	S	.	.	H	α-helix	trans	-74.9	-19.7	174.4	-62.9	178.5	0	0	0	112.7	L259 H260 P267 V273 V276 I277	L259-L262 HydrophobicContact CB-CD1 4.44Å; L259-L262 HydrophobicContact CD2-CD1 4.11Å; L259-L262 WeakPolarHBondContact O-CB 3.23Å; L259-L262 PolarHBondContact O-N 3.16Å; H260-L262 VanDerWaalsContact C-N 3.31Å; H260-L262 PolarHBondContact O-N 3.2Å; L262-P267 HydrophobicContact CD2-CG 4.44Å; L262-V273 HydrophobicContact CD1-CG1 4.04Å; L262-V273 HydrophobicContact CD2-CG1 4.45Å; L262-V273 HydrophobicContact CD2-CG2 4.2Å; L262-V276 HydrophobicContact CD1-CB 4.43Å; L262-V276 HydrophobicContact CD1-CG1 4.26Å; L262-V276 HydrophobicContact CD2-CB 3.87Å; L262-V276 HydrophobicContact CD2-CG1 3.93Å; L262-V276 HydrophobicContact CD2-CG2 4.02Å; L262-V276 HydrophobicContact CG-CB 4.21Å; L262-V276 HydrophobicContact CG-CG1 3.82Å; L262-I277 HydrophobicContact CD1-CG1 4.05Å
263	M	58.2	Low	58.4	Low	122 Å²	122	71.6 Å²	71.6	60%	0.601	41%	0.412	S	S	*	.	H	α-helix	trans	-85.5	-19	176.2	-59.8	-178.2	70.7	0	0	112.5	A256 L259 H260 P261	A256-M263 HydrophobicContact CB-SD 4.03Å; L259-M263 PolarHBondContact O-N 3.05Å; H260-M263 WeakPolarHBondContact O-CB 3.49Å; H260-M263 PolarHBondContact O-N 3.22Å; P261-M263 VanDerWaalsContact C-N 3.3Å
264	Q	61	Low	58.6	Low	122 Å²	122	70 Å²	70	57%	0.57	42%	0.416	S	S	*	.	H	α-helix	trans	-84.9	-28.6	178.1	-71.1	-175.5	-35.9	0	0	113.3	H260 P261	H260-Q264 PolarHBondContact CE1-NE2 2.94Å; H260-Q264 PolarHBondContact O-N 3.03Å; P261-Q264 PolarHBondContact O-N 3.05Å
265	H	57.3	Low	58.3	Low	142 Å²	142	72.5 Å²	72.5	66%	0.657	43%	0.434	S	S	*	.	S	Bend	trans	-130.7	112.1	176.2	-63.1	-59.4	0	0	0	109.4	P267	H265-P267 WeakPolarHBondContact O-CD 3.25Å; H265-P267 VanDerWaalsContact O-N 3.09Å
266	A	55.1	Low	58.3	Low	104 Å²	104	73.2 Å²	73.2	86%	0.86	43%	0.432	S	S	*	.			trans	-59.4	110.6	168.5	0	0	0	0	0	108.4
267	P	59.8	Low	58.2	Low	38 Å²	38	72.5 Å²	72.5	25%	0.247	42%	0.422	C	S	.	.			trans	-79.2	157.7	-176.6	20.5	-9.8	0	0	0	110.1	M243 I247 L262 H265 E272 V273	M243-P267 HydrophobicContact CE-CB 3.44Å; M243-P267 VanDerWaalsContact CE-CB 3.44Å; M243-P267 HydrophobicContact CE-CG 3.54Å; M243-P267 WeakPolarHBondContact CE-O 3.46Å; I247-P267 HydrophobicContact CD1-CG 4.32Å; L262-P267 HydrophobicContact CD2-CG 4.44Å; H265-P267 WeakPolarHBondContact O-CD 3.25Å; H265-P267 VanDerWaalsContact O-N 3.09Å; P267-E272 HydrophobicContact CB-CB 4.22Å; P267-V273 HydrophobicContact CB-CG2 3.68Å; P267-V273 HydrophobicContact CG-CG2 3.27Å
268	S	57	Low	58	Low	80 Å²	80	67 Å²	67	56%	0.559	40%	0.404	S	S	*	.	S	Bend	trans	-100	-26.6	-174.4	73.3	0	0	0	0	114.1	E272	S268-E272 WeakPolarHBondContact CA-OE2 3.34Å; S268-E272 PolarHBondContact N-OE2 3.3Å; S268-E272 PolarHBondContact OG-OE1 3.28Å; S268-E272 PolarHBondContact OG-OE2 2.95Å
269	T	57.2	Low	57.8	Low	45 Å²	45	67.6 Å²	67.6	28%	0.276	41%	0.405	S	S	.	.	S	Bend	trans	-137	153.9	177.6	70.6	0	0	0	0	113.4	M243 A271 E272	M243-T269 VanDerWaalsContact CE-O 3.23Å; M243-T269 WeakPolarHBondContact CE-O 3.47Å; T269-A271 PolarHBondContact O-N 3.21Å; T269-A271 VanDerWaalsContact O-N 3.15Å; T269-E272 PolarHBondContact N-OE2 3.31Å; T269-E272 WeakPolarHBondContact O-CB 3.48Å; T269-E272 PolarHBondContact O-N 3.35Å
270	I	52.6	Low	57.5	Low	66 Å²	66	67.9 Å²	67.9	34%	0.338	41%	0.408	S	S	.	.	H	α-helix	trans	-58.4	-28.5	176.7	-61.1	170.8	0	0	0	111.6	Q239 M242 M243 E272 V273 A274	Q239-I270 HydrophobicContact CG-CD1 4.43Å; M242-I270 HydrophobicContact CB-CD1 3.71Å; M243-I270 HydrophobicContact CB-CD1 4.48Å; M243-I270 HydrophobicContact CB-CG1 3.8Å; M243-I270 HydrophobicContact CG-CG1 4.08Å; M243-I270 HydrophobicContact SD-CG1 4.31Å; I270-E272 VanDerWaalsContact C-N 3.29Å; I270-E272 PolarHBondContact O-N 3.36Å; I270-V273 PolarHBondContact O-N 2.73Å; I270-A274 WeakPolarHBondContact O-CB 3.46Å; I270-A274 PolarHBondContact O-N 3.23Å
271	A	55.3	Low	57	Low	80 Å²	80	67 Å²	67	66%	0.661	40%	0.402	S	S	*	.	H	α-helix	trans	-64.5	-29.9	177.4	0	0	0	0	0	113.3	T269 P275	T269-A271 PolarHBondContact O-N 3.21Å; T269-A271 VanDerWaalsContact O-N 3.15Å; A271-P275 WeakPolarHBondContact O-CD 3.43Å
272	E	55	Low	56.8	Low	94 Å²	94	66.6 Å²	66.6	44%	0.439	40%	0.4	S	S	.	.	H	α-helix	trans	-75.7	-28.9	175.9	-63.9	164	153	0	0	111.6	P267 S268 T269 I270	P267-E272 HydrophobicContact CB-CB 4.22Å; S268-E272 WeakPolarHBondContact CA-OE2 3.34Å; S268-E272 PolarHBondContact N-OE2 3.3Å; S268-E272 PolarHBondContact OG-OE1 3.28Å; S268-E272 PolarHBondContact OG-OE2 2.95Å; T269-E272 PolarHBondContact N-OE2 3.31Å; T269-E272 WeakPolarHBondContact O-CB 3.48Å; T269-E272 PolarHBondContact O-N 3.35Å; I270-E272 VanDerWaalsContact C-N 3.29Å; I270-E272 PolarHBondContact O-N 3.36Å
273	V	55.7	Low	56.6	Low	2 Å²	2	72.1 Å²	72.1	1%	0.012	43%	0.425	C	S	.	.	H	α-helix	trans	-88.4	-41.9	-174	173.6	0	0	0	0	113.1	M243 I247 L262 P267 I270 V276 I277	M243-V273 HydrophobicContact CE-CG2 3.58Å; I247-V273 HydrophobicContact CD1-CG2 4.32Å; I247-V273 HydrophobicContact CG1-CG1 3.97Å; L262-V273 HydrophobicContact CD1-CG1 4.04Å; L262-V273 HydrophobicContact CD2-CG1 4.45Å; L262-V273 HydrophobicContact CD2-CG2 4.2Å; P267-V273 HydrophobicContact CB-CG2 3.68Å; P267-V273 HydrophobicContact CG-CG2 3.27Å; I270-V273 PolarHBondContact O-N 2.73Å; V273-V276 PolarHBondContact O-N 2.92Å; V273-V276 VanDerWaalsContact O-N 3.08Å; V273-I277 HydrophobicContact CG1-CD1 3.41Å; V273-I277 VanDerWaalsContact CG1-CD1 3.41Å; V273-I277 HydrophobicContact CG1-CG1 3.93Å; V273-I277 PolarHBondContact O-N 3.01Å
274	A	55.5	Low	56.4	Low	53 Å²	53	70.4 Å²	70.4	44%	0.438	42%	0.421	S	S	.	.	H	α-helix	trans	-50.1	-46.5	-178.2	0	0	0	0	0	114.8	I270 V276 S278	I270-A274 WeakPolarHBondContact O-CB 3.46Å; I270-A274 PolarHBondContact O-N 3.23Å; A274-V276 PolarHBondContact O-N 2.85Å; A274-S278 VanDerWaalsContact O-CB 3.31Å; A274-S278 WeakPolarHBondContact O-CB 3.49Å; A274-S278 PolarHBondContact O-N 2.92Å
275	P	54	Low	55.9	Low	76 Å²	76	72.5 Å²	72.5	49%	0.494	43%	0.425	S	S	.	.	H	α-helix	trans	-67.9	-32.7	178.6	26.3	-34.6	0	0	0	113	A271 S278 S279	A271-P275 WeakPolarHBondContact O-CD 3.43Å; P275-S278 PolarHBondContact O-N 3.23Å; P275-S279 VanDerWaalsContact O-CB 3.31Å; P275-S279 WeakPolarHBondContact O-CB 3.45Å; P275-S279 PolarHBondContact O-N 2.83Å
276	V	59.2	Low	55.1	Low	48 Å²	48	72.5 Å²	72.5	29%	0.291	43%	0.425	S	S	.	.	H	α-helix	trans	-70.1	-45.9	179.4	-173.9	0	0	0	0	110.6	L262 V273 A274 S278 S279 A280	L262-V276 HydrophobicContact CD1-CB 4.43Å; L262-V276 HydrophobicContact CD1-CG1 4.26Å; L262-V276 HydrophobicContact CD2-CB 3.87Å; L262-V276 HydrophobicContact CD2-CG1 3.93Å; L262-V276 HydrophobicContact CD2-CG2 4.02Å; L262-V276 HydrophobicContact CG-CB 4.21Å; L262-V276 HydrophobicContact CG-CG1 3.82Å; V273-V276 PolarHBondContact O-N 2.92Å; V273-V276 VanDerWaalsContact O-N 3.08Å; A274-V276 PolarHBondContact O-N 2.85Å; V276-S278 PolarHBondContact O-N 3.47Å; V276-S279 PolarHBondContact O-N 2.79Å; V276-A280 PolarHBondContact O-N 3.25Å
277	I	58.9	Low	54.5	Low	26 Å²	26	73.1 Å²	73.1	13%	0.133	42%	0.42	C	S	.	.	H	α-helix	trans	-58.7	-47.8	173.4	-66.5	175.3	0	0	0	110.3	A250 L259 L262 V273 S279 A280 Y281	A250-I277 HydrophobicContact CB-CD1 3.67Å; A250-I277 HydrophobicContact CB-CG1 3.85Å; A250-I277 HydrophobicContact CB-CG2 4.02Å; L259-I277 HydrophobicContact CD2-CG1 4.4Å; L262-I277 HydrophobicContact CD1-CG1 4.05Å; V273-I277 HydrophobicContact CG1-CD1 3.41Å; V273-I277 VanDerWaalsContact CG1-CD1 3.41Å; V273-I277 HydrophobicContact CG1-CG1 3.93Å; V273-I277 PolarHBondContact O-N 3.01Å; I277-S279 VanDerWaalsContact C-N 3.33Å; I277-S279 PolarHBondContact O-N 2.9Å; I277-A280 PolarHBondContact O-N 3.35Å; I277-Y281 HydrophobicContact CG2-CD2 3.7Å; I277-Y281 HydrophobicContact CG2-CE2 3.71Å; I277-Y281 WeakPolarHBondContact O-CD2 3.38Å; I277-Y281 PolarHBondContact O-N 2.87Å
278	S	58	Low	53.6	Low	71 Å²	71	79.1 Å²	79.1	50%	0.497	45%	0.451	S	S	.	.	H	α-helix	trans	-62	-38.7	-179.8	-169.9	0	0	0	0	112.8	A274 P275 V276 S282	A274-S278 VanDerWaalsContact O-CB 3.31Å; A274-S278 WeakPolarHBondContact O-CB 3.49Å; A274-S278 PolarHBondContact O-N 2.92Å; P275-S278 PolarHBondContact O-N 3.23Å; V276-S278 PolarHBondContact O-N 3.47Å; S278-S282 WeakPolarHBondContact O-CB 3.4Å; S278-S282 PolarHBondContact O-N 2.94Å; S278-S282 PolarHBondContact O-OG 2.85Å
279	S	57.9	Low	52.6	Low	56 Å²	56	85.4 Å²	85.4	39%	0.392	46%	0.462	S	S	.	.	H	α-helix	trans	-65.8	-44.4	174.4	-174.1	0	0	0	0	112	P275 V276 I277 S282 Q283	P275-S279 VanDerWaalsContact O-CB 3.31Å; P275-S279 WeakPolarHBondContact O-CB 3.45Å; P275-S279 PolarHBondContact O-N 2.83Å; V276-S279 PolarHBondContact O-N 2.79Å; I277-S279 VanDerWaalsContact C-N 3.33Å; I277-S279 PolarHBondContact O-N 2.9Å; S279-S282 WeakPolarHBondContact O-CB 3.46Å; S279-S282 PolarHBondContact O-N 3.33Å; S279-S282 VanDerWaalsContact O-N 3.17Å; S279-Q283 WeakPolarHBondContact O-CG 3.37Å; S279-Q283 PolarHBondContact O-N 3.45Å; S279-Q283 PolarHBondContact O-NE2 2.84Å; S279-Q283 PolarHBondContact OG-NE2 3.46Å
280	A	55.5	Low	51.3	Low	8 Å²	8	90.4 Å²	90.4	7%	0.066	49%	0.486	C	S	.	.	H	α-helix	trans	-63	-43.1	177.2	0	0	0	0	0	112.2	L254 L259 V276 I277 S282 Q283 V284	L254-A280 HydrophobicContact CD1-CB 3.78Å; L259-A280 HydrophobicContact CD2-CB 3.81Å; V276-A280 PolarHBondContact O-N 3.25Å; I277-A280 PolarHBondContact O-N 3.35Å; A280-S282 PolarHBondContact O-N 3.08Å; A280-Q283 PolarHBondContact O-N 3.5Å; A280-V284 WeakPolarHBondContact O-CG2 3.42Å; A280-V284 PolarHBondContact O-N 3.09Å; A280-V284 VanDerWaalsContact O-N 3.09Å
281	Y	54.1	Low	50.1	Low	83 Å²	83	94.9 Å²	94.9	33%	0.325	51%	0.505	S	S	.	.	H	α-helix	trans	-57.9	-45.7	170.1	-90.3	-76.5	0	0	0	112.1	Y253 L254 I277 Q283 V284 Y285	Y253-Y281 VanDerWaalsContact CB-OH 3.25Å; Y253-Y281 WeakPolarHBondContact CB-OH 3.5Å; L254-Y281 HydrophobicContact CD1-CD2 3.76Å; L254-Y281 HydrophobicContact CD1-CE2 3.79Å; L254-Y281 HydrophobicContact CD1-CG 4.29Å; L254-Y281 HydrophobicContact CD2-CD1 3.82Å; L254-Y281 HydrophobicContact CD2-CD2 4.2Å; L254-Y281 HydrophobicContact CD2-CE1 3.95Å; L254-Y281 HydrophobicContact CD2-CE2 4.32Å; L254-Y281 HydrophobicContact CD2-CG 3.94Å; L254-Y281 HydrophobicContact CG-CD2 4.3Å; L254-Y281 HydrophobicContact CG-CE1 4.41Å; L254-Y281 HydrophobicContact CG-CE2 4.1Å; I277-Y281 HydrophobicContact CG2-CD2 3.7Å; I277-Y281 HydrophobicContact CG2-CE2 3.71Å; I277-Y281 WeakPolarHBondContact O-CD2 3.38Å; I277-Y281 PolarHBondContact O-N 2.87Å; Y281-Q283 VanDerWaalsContact C-N 3.3Å; Y281-Q283 PolarHBondContact O-N 2.91Å; Y281-V284 PolarHBondContact O-N 3.46Å; Y281-Y285 HydrophobicContact CD1-CD2 4.02Å; Y281-Y285 AromaticContact CD1-CE2 3.89Å; Y281-Y285 HydrophobicContact CD1-CE2 3.89Å; Y281-Y285 HydrophobicContact CE1-CE2 4.26Å; Y281-Y285 WeakPolarHBondContact O-CB 3.48Å; Y281-Y285 WeakPolarHBondContact O-CD2 3.49Å; Y281-Y285 PolarHBondContact O-N 3.42Å
282	S	56.3	Low	48.7	Very low	64 Å²	64	101.1 Å²	101.1	45%	0.448	51%	0.511	S	S	.	.	H	α-helix	trans	-61.4	-39.1	-179.4	-59.9	0	0	0	0	112.3	S278 S279 A280 H286	S278-S282 WeakPolarHBondContact O-CB 3.4Å; S278-S282 PolarHBondContact O-N 2.94Å; S278-S282 PolarHBondContact O-OG 2.85Å; S279-S282 WeakPolarHBondContact O-CB 3.46Å; S279-S282 PolarHBondContact O-N 3.33Å; S279-S282 VanDerWaalsContact O-N 3.17Å; A280-S282 PolarHBondContact O-N 3.08Å; S282-H286 PolarHBondContact O-CD2 3.4Å; S282-H286 PolarHBondContact O-N 3.49Å
283	Q	54.8	Low	47.3	Very low	135 Å²	135	102.9 Å²	102.9	63%	0.631	53%	0.531	S	S	*	.	H	α-helix	trans	-67.6	-41.3	177.2	-70	170.8	54.9	0	0	112.5	S279 A280 Y281	S279-Q283 WeakPolarHBondContact O-CG 3.37Å; S279-Q283 PolarHBondContact O-N 3.45Å; S279-Q283 PolarHBondContact O-NE2 2.84Å; S279-Q283 PolarHBondContact OG-NE2 3.46Å; A280-Q283 PolarHBondContact O-N 3.5Å; Y281-Q283 VanDerWaalsContact C-N 3.3Å; Y281-Q283 PolarHBondContact O-N 2.91Å
284	V	54.2	Low	45.9	Very low	85 Å²	85	110.2 Å²	110.2	52%	0.515	57%	0.569	S	S	.	*	H	α-helix	trans	-70.1	-30.8	178.2	173.2	0	0	0	0	112.6	L254 A280 Y281	L254-V284 HydrophobicContact CD2-CB 4.44Å; L254-V284 HydrophobicContact CD2-CG2 4.13Å; A280-V284 WeakPolarHBondContact O-CG2 3.42Å; A280-V284 PolarHBondContact O-N 3.09Å; A280-V284 VanDerWaalsContact O-N 3.09Å; Y281-V284 PolarHBondContact O-N 3.46Å
285	Y	50.3	Low	44.5	Very low	166 Å²	166	113.2 Å²	113.2	65%	0.651	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.7	26.1	-171.3	-72.1	-81.2	0	0	0	115.2	Y281	Y281-Y285 HydrophobicContact CD1-CD2 4.02Å; Y281-Y285 AromaticContact CD1-CE2 3.89Å; Y281-Y285 HydrophobicContact CD1-CE2 3.89Å; Y281-Y285 HydrophobicContact CE1-CE2 4.26Å; Y281-Y285 WeakPolarHBondContact O-CB 3.48Å; Y281-Y285 WeakPolarHBondContact O-CD2 3.49Å; Y281-Y285 PolarHBondContact O-N 3.42Å
286	H	40.7	Very low	43.3	Very low	142 Å²	142	121 Å²	121	66%	0.657	61%	0.606	S	S	*	*			trans	-60.9	131.5	174.6	-95.1	-64.8	0	0	0	112.6	S282 N288	S282-H286 PolarHBondContact O-CD2 3.4Å; S282-H286 PolarHBondContact O-N 3.49Å; H286-N288 PolarHBondContact O-N 2.82Å; H286-N288 VanDerWaalsContact O-N 3.11Å
287	P	43.3	Very low	41.7	Very low	117 Å²	117	127 Å²	127	76%	0.76	63%	0.631	S	S	*	*			trans	-86.6	91	-162.7	33.2	-36.8	0	0	0	113.1
288	N	40.7	Very low	40.1	Very low	164 Å²	164	131.7 Å²	131.7	88%	0.877	66%	0.661	S	S	*	*			trans	-135	38.1	175.6	-109.9	-23.7	0	0	0	115.4	H286	H286-N288 PolarHBondContact O-N 2.82Å; H286-N288 VanDerWaalsContact O-N 3.11Å
289	R	36	Very low	38.6	Very low	212 Å²	212	132.5 Å²	132.5	80%	0.8	67%	0.667	S	S	*	*			trans	-163.5	85.9	150.1	-120.2	175.4	176.3	179	0.6	114.5	E291	R289-E291 IonicContact NE-OE1 3.46Å; R289-E291 IonicContact NH2-OE1 2.66Å
290	I	30.2	Very low	37	Very low	151 Å²	151	137 Å²	137	77%	0.774	69%	0.686	S	S	*	*			trans	-131.5	85.7	151.5	-56.1	-179.6	0	0	0	107.2	R292	I290-R292 VanDerWaalsContact C-N 3.32Å; I290-R292 HydrophobicContact CG2-CG 4.07Å; I290-R292 PolarHBondContact O-N 3.1Å
291	E	25.6	Very low	35.7	Very low	159 Å²	159	142 Å²	142	74%	0.743	72%	0.72	S	S	*	*			trans	-68.3	92.3	167.4	-73.7	171.8	-143.7	0	0	108.2	R289	R289-E291 IonicContact NE-OE1 3.46Å; R289-E291 IonicContact NH2-OE1 2.66Å
292	R	27.5	Very low	34.4	Very low	211 Å²	211	145.6 Å²	145.6	80%	0.796	74%	0.74	S	S	*	*			trans	-67	131.1	170.2	-68.9	-174.8	174.9	-172.6	-2.2	108.4	I290 I294	I290-R292 VanDerWaalsContact C-N 3.32Å; I290-R292 HydrophobicContact CG2-CG 4.07Å; I290-R292 PolarHBondContact O-N 3.1Å; R292-I294 PolarHBondContact O-N 3.02Å; R292-I294 VanDerWaalsContact O-N 3.11Å
293	P	24.8	Very low	33.1	Very low	132 Å²	132	149 Å²	149	86%	0.857	75%	0.749	S	S	*	*			trans	-57.7	118.7	175.4	-24.1	33.8	0	0	0	110.6	S295	P293-S295 PolarHBondContact O-N 3.21Å
294	I	27.4	Very low	31.8	Very low	156 Å²	156	148.2 Å²	148.2	80%	0.8	75%	0.749	S	S	*	*			trans	-74.4	115.8	175.2	-64.4	176.9	0	0	0	107.8	R292 R296	R292-I294 PolarHBondContact O-N 3.02Å; R292-I294 VanDerWaalsContact O-N 3.11Å; I294-R296 PolarHBondContact O-N 3.02Å
295	S	26.2	Very low	30.5	Very low	116 Å²	116	150.8 Å²	150.8	81%	0.811	76%	0.76	S	S	*	*			trans	-55.8	120.2	169	52	0	0	0	0	110	P293	P293-S295 PolarHBondContact O-N 3.21Å
296	R	28.7	Very low	29.3	Very low	239 Å²	239	150.5 Å²	150.5	90%	0.902	77%	0.766	S	S	*	*			trans	-122.4	97.7	-175.7	-162.3	173	-169.3	144.1	1.7	111.1	I294	I294-R296 PolarHBondContact O-N 3.02Å
297	E	25.4	Very low	28.6	Very low	175 Å²	175	151.1 Å²	151.1	82%	0.818	77%	0.774	S	S	*	*			trans	-81.8	142.7	159.8	-72.6	-170.7	136.3	0	0	110
298	T	25.7	Very low	27.7	Very low	123 Å²	123	148.5 Å²	148.5	76%	0.755	77%	0.769	S	S	*	*			trans	58.7	132.4	152.9	54.8	0	0	0	0	122.2
299	S	25.9	Very low	27.3	Very low	89 Å²	89	146 Å²	146	62%	0.622	76%	0.761	S	S	*	*			trans	62.2	109.5	141.5	61.2	0	0	0	0	121
300	D	24.3	Very low	26.8	Very low	151 Å²	151	143 Å²	143	81%	0.807	76%	0.76	S	S	*	*				58.5	109.2	116.7	-44.7	-33	0	0	0	120.6
301	S	27.7	Very low	26.5	Very low	111 Å²	111	140.6 Å²	140.6	78%	0.776	76%	0.756	S	S	*	*				-171.2	153.8	101.6	33.9	0	0	0	0	113.3
302	H	26.9	Very low	26.4	Very low	159 Å²	159	140.2 Å²	140.2	74%	0.736	76%	0.759	S	S	*	*			trans	-4.8	145.9	150.1	-63.7	-105.4	0	0	0	117.9
303	E	28.5	Very low	26.3	Very low	136 Å²	136	137.8 Å²	137.8	64%	0.636	76%	0.76	S	S	*	*			cis	-168.4	164.7	5.7	-124.8	174.4	-150.6	0	0	114.1
304	N	27.1	Very low	26.2	Very low	118 Å²	118	141.8 Å²	141.8	63%	0.631	76%	0.758	S	S	*	*			trans	63.4	138.5	146.2	-62.3	-26.7	0	0	0	124.5
305	N	27.3	Very low	26.1	Very low	140 Å²	140	139.5 Å²	139.5	75%	0.749	75%	0.753	S	S	*	*			trans	65.2	120.3	154.8	-65.4	-21.1	0	0	0	118.7
306	M	25.4	Very low	25.9	Very low	159 Å²	159	142 Å²	142	78%	0.783	75%	0.749	S	S	*	*				65.9	126	67.2	-60.1	-67.6	-169.6	0	0	110.8
307	D	27.2	Very low	25.7	Very low	155 Å²	155	135.7 Å²	135.7	83%	0.829	74%	0.742	S	S	*	*			cis	-133.1	166.5	37.6	-80.2	-57	0	0	0	116.8
308	G	23.6	Very low	25.6	Very low	63 Å²	63	138.7 Å²	138.7	65%	0.649	75%	0.746	S	S	*	*			trans	-85.2	-162.4	159.9	0	0	0	0	0	112.4
309	P	32.7	Very low	26	Very low	110 Å²	110	137.6 Å²	137.6	71%	0.714	74%	0.741	S	S	*	*			cis	-125.9	150.9	38.4	9.5	16.8	0	0	0	115.7
310	I	24.5	Very low	26	Very low	149 Å²	149	141.1 Å²	141.1	76%	0.764	75%	0.747	S	S	*	*				55.2	109.5	100.6	-44.3	166.7	0	0	0	113.2
311	S	25.2	Very low	25.9	Very low	101 Å²	101	139.8 Å²	139.8	71%	0.706	74%	0.736	S	S	*	*				-159.6	134.3	79.9	-64.1	0	0	0	0	112.1
312	L	22.4	Very low	25.7	Very low	152 Å²	152	144.1 Å²	144.1	80%	0.796	74%	0.736	S	S	*	*				57	135.1	102.6	-51.2	174.3	0	0	0	114.4
313	I	26.3	Very low	25.5	Very low	160 Å²	160	144.1 Å²	144.1	82%	0.821	74%	0.736	S	S	*	*			cis	-140.3	152.4	43.3	-71.1	165	0	0	0	112.7
314	R	22.8	Very low	25.2	Very low	216 Å²	216	141.9 Å²	141.9	82%	0.815	74%	0.741	S	S	*	*			trans	-145	133.7	165.2	177	178.7	-174	-179.6	4.5	112.3
315	P	24.7	Very low	25.2	Very low	107 Å²	107	141.7 Å²	141.7	70%	0.695	75%	0.749	S	S	*	*			trans	-106.1	133	138	-5.9	26.3	0	0	0	109.5
316	K	22.4	Very low	25.6	Very low	169 Å²	169	140.3 Å²	140.3	74%	0.735	75%	0.747	S	S	*	*				71.5	97	56.6	-72	-172	175.3	-179.6	0	110.7
317	S	23.4	Very low	25.6	Very low	107 Å²	107	137.4 Å²	137.4	75%	0.748	74%	0.743	S	S	*	*				94.4	151.3	81	66.2	0	0	0	0	111.8
318	R	24.3	Very low	25.5	Very low	238 Å²	238	137 Å²	137	90%	0.898	74%	0.74	S	S	*	*			cis	-149	-158.5	15	-131.5	-158.9	159.3	174	-8.4	108.8
319	P	33.3	Very low	25.5	Very low	100 Å²	100	138.5 Å²	138.5	65%	0.649	74%	0.741	S	S	*	*			trans	-128.2	-145.7	-155.2	43.3	-20.6	0	0	0	114.2
320	Q	25.5	Very low	25.1	Very low	162 Å²	162	139.9 Å²	139.9	76%	0.757	75%	0.752	S	S	*	*			trans	87.1	139.6	159.1	-143.1	166	7.4	0	0	115.5
321	E	22.9	Very low	25.2	Very low	123 Å²	123	140.5 Å²	140.5	58%	0.575	76%	0.756	S	S	*	*			cis	-162.3	157.5	-18.7	-118.2	177.4	-103.6	0	0	110.1
322	R	23.6	Very low	25.1	Very low	202 Å²	202	143.6 Å²	143.6	76%	0.762	77%	0.765	S	S	*	*			trans	60.6	167.2	155.9	-64.5	170.2	-175.1	-97.7	-3.3	117.1
323	E	23.2	Very low	25.4	Very low	160 Å²	160	140.1 Å²	140.1	75%	0.748	75%	0.753	S	S	*	*			cis	-137.6	-168.9	26.3	-97.2	-60.1	130.1	0	0	113.5
324	A	22	Very low	25.5	Very low	89 Å²	89	138.8 Å²	138.8	74%	0.736	75%	0.753	S	S	*	*			trans	-97.8	173.2	-160	0	0	0	0	0	119.3
325	S	27.2	Very low	25.7	Very low	113 Å²	113	134.7 Å²	134.7	79%	0.79	75%	0.747	S	S	*	*			trans	-74.8	175.6	176.7	-38	0	0	0	0	114.3
326	P	34.5	Very low	25.9	Very low	111 Å²	111	134.6 Å²	134.6	72%	0.721	75%	0.749	S	S	*	*				-158.9	171.5	90.9	40.3	-20.6	0	0	0	118.9
327	S	25.6	Very low	26.2	Very low	99 Å²	99	134.9 Å²	134.9	69%	0.692	75%	0.753	S	S	*	*			trans	61.9	151	147.6	51.4	0	0	0	0	120.5
328	N	24.9	Very low	26.4	Very low	145 Å²	145	135.9 Å²	135.9	78%	0.775	76%	0.76	S	S	*	*			cis	-143.3	143.2	-1.9	-92.1	-21	0	0	0	106.4
329	S	24.6	Very low	26.6	Very low	96 Å²	96	129 Å²	129	67%	0.671	75%	0.748	S	S	*	*				76.5	111.4	50.8	87	0	0	0	0	115.8
330	C	24.2	Very low	26.3	Very low	138 Å²	138	133.4 Å²	133.4	93%	0.932	76%	0.76	S	S	*	*			trans	-145.9	140.1	146.3	-95.1	0	0	0	0	108.2
331	L	27.3	Very low	26.4	Very low	163 Å²	163	132.2 Å²	132.2	85%	0.853	76%	0.759	S	S	*	*			trans	-118	158.3	175.7	-72.3	161.9	0	0	0	108.2
332	D	22.8	Very low	26.7	Very low	166 Å²	166	131.8 Å²	131.8	89%	0.888	76%	0.76	S	S	*	*			trans	-151.3	154.7	132.6	-141.6	-19.6	0	0	0	110.6
333	S	28.3	Very low	26.8	Very low	79 Å²	79	130.7 Å²	130.7	55%	0.552	76%	0.756	S	S	*	*			trans	-140.6	154.7	-167.1	-65.7	0	0	0	0	113.2
334	T	28.8	Very low	27.1	Very low	132 Å²	132	130.4 Å²	130.4	81%	0.81	75%	0.754	S	S	*	*			trans	174.8	114.9	149.4	19.8	0	0	0	0	106.4
335	D	26.6	Very low	27.2	Very low	129 Å²	129	131.2 Å²	131.2	69%	0.69	76%	0.755	S	S	*	*				70.4	142.2	59.3	-52.7	-37.3	0	0	0	112.3
336	S	29.3	Very low	27.1	Very low	106 Å²	106	137 Å²	137	74%	0.741	76%	0.761	S	S	*	*			cis	-134.7	137.5	16.5	-50.6	0	0	0	0	110.7
337	E	28.4	Very low	26.7	Very low	174 Å²	174	140.7 Å²	140.7	81%	0.813	77%	0.769	S	S	*	*				58.8	131.1	87.6	-58.7	-155.8	115.2	0	0	118.6
338	S	26.5	Very low	26.6	Very low	128 Å²	128	139.3 Å²	139.3	90%	0.895	77%	0.77	S	S	*	*				-164.4	134.8	126.3	32.7	0	0	0	0	110.1
339	S	28.5	Very low	26.7	Very low	94 Å²	94	140.1 Å²	140.1	66%	0.657	77%	0.774	S	S	*	*			trans	-124.8	173.2	177.1	64	0	0	0	0	110.4
340	H	27.4	Very low	27.4	Very low	193 Å²	193	141 Å²	141	89%	0.894	78%	0.778	S	S	*	*			trans	-149.2	124.4	158.9	-101.2	-63.4	0	0	0	110.2
341	D	28.3	Very low	27.4	Very low	137 Å²	137	138.7 Å²	138.7	73%	0.733	77%	0.768	S	S	*	*			trans	-67.2	175.2	162.3	-57.9	-82.7	0	0	0	110.1
342	D	28.2	Very low	27.4	Very low	113 Å²	113	139.5 Å²	139.5	60%	0.604	77%	0.773	S	S	*	*			cis	-175.9	171.2	41	-164.8	7.6	0	0	0	113.4
343	R	27.4	Very low	27.5	Very low	180 Å²	180	138.2 Å²	138.2	68%	0.679	77%	0.766	S	S	*	*			trans	73.5	114.8	147.4	-90.8	169.6	163.3	90.9	-1.5	124.2
344	Q	28.6	Very low	27.6	Very low	153 Å²	153	139.4 Å²	139.4	72%	0.715	77%	0.772	S	S	*	*				79.5	98.3	121	-74.8	172.1	-17.6	0	0	123.1
345	S	24.5	Very low	27.4	Very low	106 Å²	106	141.7 Å²	141.7	74%	0.741	77%	0.771	S	S	*	*				39	119.2	115.5	-164.2	0	0	0	0	121.4
346	Y	25.3	Very low	27.5	Very low	235 Å²	235	147.5 Å²	147.5	92%	0.922	78%	0.783	S	S	*	*			trans	-144.5	149.1	147.1	-107.8	-88.4	0	0	0	110.3
347	Q	25.8	Very low	27.4	Very low	189 Å²	189	151.1 Å²	151.1	88%	0.883	79%	0.785	S	S	*	*			trans	-117.1	151.4	173.3	-68.4	-179.6	-27.7	0	0	109.9
348	G	23.5	Very low	27.1	Very low	70 Å²	70	151.6 Å²	151.6	72%	0.722	79%	0.787	S	S	*	*			trans	150.5	47.2	157.9	0	0	0	0	0	123.2
349	N	26.2	Very low	27	Very low	161 Å²	161	151.2 Å²	151.2	86%	0.861	79%	0.785	S	S	*	*			trans	61.5	177.5	148.2	-67.1	-15.6	0	0	0	118.4
350	P	39.8	Very low	26.9	Very low	115 Å²	115	152.8 Å²	152.8	75%	0.747	79%	0.793	S	S	*	*				-137.9	-173.8	-72.7	43.1	-26.7	0	0	0	115
351	A	23.1	Very low	26.6	Very low	89 Å²	89	147.9 Å²	147.9	74%	0.736	79%	0.785	S	S	*	*			trans	76.2	112.6	156.5	0	0	0	0	0	119.8
352	L	27.7	Very low	26.4	Very low	180 Å²	180	149.9 Å²	149.9	94%	0.942	78%	0.784	S	S	*	*				-160.1	135.8	102.7	-98.5	168.2	0	0	0	110
353	N	25.2	Very low	26.3	Very low	140 Å²	140	153.2 Å²	153.2	75%	0.749	80%	0.798	S	S	*	*			trans	-123.2	144.4	-178.3	-172.7	-3.8	0	0	0	107.7	K355	N353-K355 PolarHBondContact OD1-N 2.94Å
354	P	31.1	Very low	26.4	Very low	104 Å²	104	151 Å²	151	68%	0.675	79%	0.794	S	S	*	*				-152.3	149.7	111.3	35.9	-17.7	0	0	0	118
355	K	25.1	Very low	26.4	Very low	180 Å²	180	151.2 Å²	151.2	78%	0.783	80%	0.795	S	S	*	*			trans	77.2	83	140.3	-69.9	163	-172	168.8	0	119.9	N353	N353-K355 PolarHBondContact OD1-N 2.94Å
356	R	27.1	Very low	26.4	Very low	251 Å²	251	153 Å²	153	95%	0.947	80%	0.795	S	S	*	*			trans	-51.4	129.2	144.7	-168.9	-173.7	-161.3	-176	6.9	111.7
357	K	27	Very low	27.1	Very low	181 Å²	181	148.5 Å²	148.5	79%	0.787	79%	0.793	S	S	*	*			trans	-143.2	114.7	160.1	-73.1	-169.9	174.9	-171.7	0	107.1
358	Q	22.9	Very low	27.1	Very low	184 Å²	184	148.4 Å²	148.4	86%	0.86	79%	0.789	S	S	*	*				58.4	106.4	87.9	-79.8	-173.6	-20.8	0	0	113.8
359	S	23.5	Very low	27.7	Very low	121 Å²	121	150 Å²	150	85%	0.846	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-78.1	136	170.6	-41	0	0	0	0	111
360	P	27.3	Very low	28.1	Very low	126 Å²	126	150.7 Å²	150.7	82%	0.818	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-75.8	145.5	162.7	-11.2	28.3	0	0	0	110.8
361	A	22	Very low	27.4	Very low	90 Å²	90	152.4 Å²	152.4	74%	0.744	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-95.7	155	165.2	0	0	0	0	0	110.6
362	Y	24	Very low	28	Very low	179 Å²	179	152.3 Å²	152.3	70%	0.702	80%	0.8	S	S	*	*			trans	32.5	105.7	152.6	-156.9	-93.4	0	0	0	118.5	K364	Y362-K364 HydrophobicContact CE1-CD 4.47Å; Y362-K364 HydrophobicContact CE1-CG 3.74Å; Y362-K364 VanDerWaalsContact OH-CE 3.25Å; Y362-K364 WeakPolarHBondContact OH-CE 3.2Å
363	M	26.1	Very low	28.4	Very low	184 Å²	184	149.7 Å²	149.7	91%	0.906	79%	0.792	S	S	*	*			trans	-125.5	143	154.7	-78.1	-68.8	176.6	0	0	108.8
364	K	28.8	Very low	28.6	Very low	133 Å²	133	153 Å²	153	58%	0.578	80%	0.8	S	S	*	*			trans	-95.6	172.2	170.1	-68.3	-172.5	175.7	-175.8	0	110.6	Y362	Y362-K364 HydrophobicContact CE1-CD 4.47Å; Y362-K364 HydrophobicContact CE1-CG 3.74Å; Y362-K364 VanDerWaalsContact OH-CE 3.25Å; Y362-K364 WeakPolarHBondContact OH-CE 3.2Å
365	E	28.4	Very low	28.4	Very low	158 Å²	158	152.6 Å²	152.6	74%	0.738	81%	0.805	S	S	*	*			trans	66.7	146.6	164	-69.9	125.4	-128.2	0	0	113.9
366	D	24.7	Very low	28.6	Very low	142 Å²	142	150 Å²	150	76%	0.759	81%	0.806	S	S	*	*			cis	-136.7	162.4	15.3	-105.1	-41.8	0	0	0	113.1	K368	D366-K368 PolarHBondContact O-N 3.33Å
367	V	39.4	Very low	28.8	Very low	142 Å²	142	148.4 Å²	148.4	86%	0.861	81%	0.806	S	S	*	*			trans	-74.9	119.9	166.4	175.9	0	0	0	0	110.2
368	K	27.3	Very low	28.7	Very low	187 Å²	187	142.8 Å²	142.8	81%	0.813	80%	0.8	S	S	*	*			trans	-137.7	127.9	162.3	-92.6	173.9	-177.2	159.2	0	111.5	D366	D366-K368 PolarHBondContact O-N 3.33Å
369	A	36.1	Very low	29	Very low	103 Å²	103	139 Å²	139	85%	0.851	79%	0.794	S	S	*	*			trans	-69.3	143.5	174.8	0	0	0	0	0	111.1
370	L	33	Very low	29.7	Very low	176 Å²	176	139.7 Å²	139.7	92%	0.921	79%	0.787	S	S	*	*			trans	-134.4	148.1	169.7	-96.4	169.4	0	0	0	111
371	D	24.8	Very low	30.3	Very low	151 Å²	151	142.3 Å²	142.3	81%	0.807	79%	0.786	S	S	*	*			trans	-68.5	157.7	-153.4	-143.1	-31.2	0	0	0	116
372	A	36.9	Very low	31	Very low	87 Å²	87	143.1 Å²	143.1	72%	0.719	78%	0.777	S	S	*	*			trans	-99.9	95.8	179	0	0	0	0	0	111.8
373	T	35.7	Very low	31.8	Very low	125 Å²	125	138.7 Å²	138.7	77%	0.767	77%	0.765	S	S	*	*			trans	-164.7	80.5	159.5	26.4	0	0	0	0	114.5
374	K	28.8	Very low	32.8	Very low	210 Å²	210	133.9 Å²	133.9	91%	0.913	74%	0.737	S	S	*	*			trans	172	112.4	139.5	-96.6	155.6	-172.9	173.2	0	111
375	A	27.2	Very low	33.8	Very low	94 Å²	94	134.2 Å²	134.2	78%	0.777	74%	0.739	S	S	*	*			trans	-94.4	118.9	174.3	0	0	0	0	0	111.2
376	P	28.6	Very low	35	Very low	125 Å²	125	128.8 Å²	128.8	81%	0.812	72%	0.717	S	S	*	*			trans	-73.2	130.6	166.3	30.4	-32	0	0	0	109.7	G378	P376-G378 PolarHBondContact O-N 3.36Å
377	K	33	Very low	36.4	Very low	218 Å²	218	127.2 Å²	127.2	95%	0.948	70%	0.703	S	S	*	*			trans	-84.7	101.3	-179.8	-68.7	-179.2	178.5	179	0	110.6
378	G	25.1	Very low	37	Very low	63 Å²	63	122.5 Å²	122.5	65%	0.649	67%	0.673	S	S	*	*			trans	-131.3	137.5	171.1	0	0	0	0	0	111.2	P376 L380	P376-G378 PolarHBondContact O-N 3.36Å; G378-L380 PolarHBondContact O-N 3.17Å
379	S	29.3	Very low	37.8	Very low	106 Å²	106	118 Å²	118	74%	0.741	68%	0.68	S	S	*	*			trans	-80.9	85.4	-170.1	172.9	0	0	0	0	113.2	K381	S379-K381 PolarHBondContact O-N 3.3Å
380	L	37.8	Very low	38.6	Very low	135 Å²	135	121.1 Å²	121.1	71%	0.707	68%	0.677	S	S	*	*			trans	-73.8	89.6	173.5	-74	163.9	0	0	0	112.6	G378 I383	G378-L380 PolarHBondContact O-N 3.17Å; L380-I383 HydrophobicContact CB-CD1 4.47Å; L380-I383 HydrophobicContact CB-CG1 4.29Å; L380-I383 HydrophobicContact CD1-CD1 3.8Å; L380-I383 HydrophobicContact CD1-CG1 4.5Å; L380-I383 HydrophobicContact CD2-CD1 3.98Å; L380-I383 HydrophobicContact CD2-CG1 4.23Å; L380-I383 HydrophobicContact CG-CD1 4.3Å
381	K	38.5	Very low	39.1	Very low	181 Å²	181	115.3 Å²	115.3	79%	0.787	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.6	116.9	162.3	-63.7	-177.2	-177.9	-176.8	0	108.9	S379	S379-K381 PolarHBondContact O-N 3.3Å
382	D	36.6	Very low	40.4	Very low	106 Å²	106	114.2 Å²	114.2	57%	0.567	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	cis	-125.7	109.3	-7.7	-63	-35.6	0	0	0	108.4	Y384	D382-Y384 HydrophobicContact CB-CD2 4.26Å; D382-Y384 HydrophobicContact CB-CE2 3.89Å; D382-Y384 PolarHBondContact O-N 2.95Å
383	I	42.3	Very low	41	Very low	87 Å²	87	114.8 Å²	114.8	45%	0.446	64%	0.637	S	S	.	*			trans	-79.8	100.6	165.2	-64.2	-169	0	0	0	108.2	L380 K385	L380-I383 HydrophobicContact CB-CD1 4.47Å; L380-I383 HydrophobicContact CB-CG1 4.29Å; L380-I383 HydrophobicContact CD1-CD1 3.8Å; L380-I383 HydrophobicContact CD1-CG1 4.5Å; L380-I383 HydrophobicContact CD2-CD1 3.98Å; L380-I383 HydrophobicContact CD2-CG1 4.23Å; L380-I383 HydrophobicContact CG-CD1 4.3Å; I383-K385 HydrophobicContact CG2-CG 4.31Å; I383-K385 PolarHBondContact O-N 3.36Å
384	Y	47	Very low	41.9	Very low	82 Å²	82	111.2 Å²	111.2	32%	0.322	61%	0.613	S	S	.	*			trans	-62.4	103	160.3	-72	-89.2	0	0	0	108.4	D382 V386 K398 L405	D382-Y384 HydrophobicContact CB-CD2 4.26Å; D382-Y384 HydrophobicContact CB-CE2 3.89Å; D382-Y384 PolarHBondContact O-N 2.95Å; Y384-V386 PolarHBondContact O-N 2.83Å; Y384-K398 HydrophobicContact CE2-CB 4.24Å; Y384-K398 HydrophobicContact CE2-CD 3.56Å; Y384-K398 PolarHBondContact OH-NZ 2.82Å; Y384-L405 HydrophobicContact CD1-CD1 4.36Å; Y384-L405 HydrophobicContact CD1-CD2 4.34Å; Y384-L405 HydrophobicContact CD2-CD2 3.79Å; Y384-L405 HydrophobicContact CE1-CD1 4.43Å; Y384-L405 HydrophobicContact CE2-CD2 4.12Å; Y384-L405 HydrophobicContact CG-CD2 3.92Å
385	K	50.2	Low	43.3	Very low	141 Å²	141	110.5 Å²	110.5	61%	0.613	60%	0.604	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-74.3	77.4	171.9	-63.4	-168.9	179.9	-173.1	0	109.4	I383 F387	I383-K385 HydrophobicContact CG2-CG 4.31Å; I383-K385 PolarHBondContact O-N 3.36Å; K385-F387 HydrophobicContact CB-CE2 3.74Å; K385-F387 HydrophobicContact CB-CZ 4.17Å; K385-F387 HydrophobicContact CD-CZ 4.4Å; K385-F387 WeakPolarHBondContact O-CD2 3.43Å; K385-F387 WeakPolarHBondContact O-CE2 3.18Å
386	V	52.6	Low	44.6	Very low	44 Å²	44	106.6 Å²	106.6	27%	0.267	57%	0.572	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-74.9	139.5	166.7	179.8	0	0	0	0	108	Y384 Q393 I394 A396 L407	Y384-V386 PolarHBondContact O-N 2.83Å; V386-Q393 CarbonylContact O-C 3.59Å; V386-Q393 WeakPolarHBondContact O-CA 3.39Å; V386-I394 HydrophobicContact CB-CB 4.3Å; V386-I394 HydrophobicContact CG1-CB 4.28Å; V386-I394 HydrophobicContact CG1-CD1 4.37Å; V386-I394 PolarHBondContact O-N 3.48Å; V386-A396 HydrophobicContact CB-CB 4.45Å; V386-A396 HydrophobicContact CG2-CB 3.76Å; V386-L407 HydrophobicContact CB-CD2 4.24Å; V386-L407 HydrophobicContact CG1-CD2 3.96Å; V386-L407 HydrophobicContact CG2-CD2 4.1Å
387	F	54.4	Low	46.1	Very low	109 Å²	109	103.4 Å²	103.4	48%	0.478	55%	0.546	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	146.6	172.5	-63.7	-91.5	0	0	0	108.9	K385 G391 E392 Q393	K385-F387 HydrophobicContact CB-CE2 3.74Å; K385-F387 HydrophobicContact CB-CZ 4.17Å; K385-F387 HydrophobicContact CD-CZ 4.4Å; K385-F387 WeakPolarHBondContact O-CD2 3.43Å; K385-F387 WeakPolarHBondContact O-CE2 3.18Å; F387-G391 WeakPolarHBondContact CD1-O 3.34Å; F387-E392 CarbonylContact C-O 3.55Å; F387-E392 WeakPolarHBondContact CA-O 3.17Å; F387-Q393 HydrophobicContact CD1-CB 3.9Å; F387-Q393 HydrophobicContact CD1-CG 4.21Å; F387-Q393 HydrophobicContact CE1-CB 3.64Å; F387-Q393 HydrophobicContact CE1-CG 3.81Å; F387-Q393 HydrophobicContact CZ-CB 4.39Å; F387-Q393 HydrophobicContact CZ-CG 4.07Å
388	N	51.1	Low	46.9	Very low	43 Å²	43	96.8 Å²	96.8	23%	0.23	52%	0.517	C	S	.	.			trans	-73.5	173.1	168.6	73.8	-0.4	0	0	0	110.3	E390 G391 E392 I394	N388-E390 PolarHBondContact ND2-OE2 3.25Å; N388-E390 PolarHBondContact O-N 3.09Å; N388-E390 WeakPolarHBondContact OD1-CA 3.44Å; N388-E390 WeakPolarHBondContact OD1-CB 3.22Å; N388-E390 PolarHBondContact OD1-N 3.47Å; N388-G391 PolarHBondContact O-N 3.34Å; N388-G391 VanDerWaalsContact O-N 3.11Å; N388-G391 PolarHBondContact OD1-N 3.38Å; N388-E392 PolarHBondContact N-O 3.48Å; N388-E392 PolarHBondContact OD1-N 3.3Å; N388-I394 HydrophobicContact CB-CD1 3.91Å; N388-I394 HydrophobicContact CB-CG1 4.38Å
389	G	44.8	Very low	48.4	Very low	93 Å²	93	93.8 Å²	93.8	96%	0.959	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-9.7	176.6	0	0	0	0	0	114.8
390	E	52.3	Low	49.4	Very low	168 Å²	168	97.3 Å²	97.3	79%	0.785	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	-2.6	-179.7	-55.3	175.7	146.7	0	0	112	N388	N388-E390 PolarHBondContact ND2-OE2 3.25Å; N388-E390 PolarHBondContact O-N 3.09Å; N388-E390 WeakPolarHBondContact OD1-CA 3.44Å; N388-E390 WeakPolarHBondContact OD1-CB 3.22Å; N388-E390 PolarHBondContact OD1-N 3.47Å
391	G	44.9	Very low	49.7	Very low	53 Å²	53	98 Å²	98	55%	0.546	49%	0.49	S	S	.	.	S	Bend	trans	91.3	4.8	177.3	0	0	0	0	0	116	F387 N388	F387-G391 WeakPolarHBondContact CD1-O 3.34Å; N388-G391 PolarHBondContact O-N 3.34Å; N388-G391 VanDerWaalsContact O-N 3.11Å; N388-G391 PolarHBondContact OD1-N 3.38Å
392	E	51.9	Low	50.2	Low	129 Å²	129	91.8 Å²	91.8	60%	0.603	47%	0.469	S	S	*	.			trans	-79.5	139.6	176.3	-56.4	-163.6	122.9	0	0	112.3	F387 N388 I394	F387-E392 CarbonylContact C-O 3.55Å; F387-E392 WeakPolarHBondContact CA-O 3.17Å; N388-E392 PolarHBondContact N-O 3.48Å; N388-E392 PolarHBondContact OD1-N 3.3Å; E392-I394 PolarHBondContact O-N 3.43Å
393	Q	49.5	Very low	50.9	Low	99 Å²	99	96.6 Å²	96.6	46%	0.463	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	107.1	-176.8	-163.1	-168.8	-46.3	0	0	112.5	V386 F387	V386-Q393 CarbonylContact O-C 3.59Å; V386-Q393 WeakPolarHBondContact O-CA 3.39Å; F387-Q393 HydrophobicContact CD1-CB 3.9Å; F387-Q393 HydrophobicContact CD1-CG 4.21Å; F387-Q393 HydrophobicContact CE1-CB 3.64Å; F387-Q393 HydrophobicContact CE1-CG 3.81Å; F387-Q393 HydrophobicContact CZ-CB 4.39Å; F387-Q393 HydrophobicContact CZ-CG 4.07Å
394	I	54.7	Low	51.3	Low	50 Å²	50	95.7 Å²	95.7	26%	0.256	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	143	170.9	-60.2	172.1	0	0	0	110	V386 N388 E392 L407	V386-I394 HydrophobicContact CB-CB 4.3Å; V386-I394 HydrophobicContact CG1-CB 4.28Å; V386-I394 HydrophobicContact CG1-CD1 4.37Å; V386-I394 PolarHBondContact O-N 3.48Å; N388-I394 HydrophobicContact CB-CD1 3.91Å; N388-I394 HydrophobicContact CB-CG1 4.38Å; E392-I394 PolarHBondContact O-N 3.43Å; I394-L407 HydrophobicContact CG2-CB 4.01Å; I394-L407 HydrophobicContact CG2-CD2 4.17Å
395	R	56.6	Low	51.5	Low	194 Å²	194	95.6 Å²	95.6	73%	0.732	48%	0.482	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.4	111.6	171.5	-73.1	-179.2	-73.5	-144.7	-4.4	110.3	F397	R395-F397 HydrophobicContact CB-CE2 4.17Å; R395-F397 HydrophobicContact CB-CZ 4.28Å; R395-F397 WeakPolarHBondContact O-CE2 3.43Å
396	A	56.1	Low	52	Low	12 Å²	12	90.4 Å²	90.4	10%	0.099	46%	0.459	C	S	.	.			trans	-103	142.2	176.8	0	0	0	0	0	112.7	V386 L405 F406 L407	V386-A396 HydrophobicContact CB-CB 4.45Å; V386-A396 HydrophobicContact CG2-CB 3.76Å; A396-L405 HydrophobicContact CB-CD2 4.49Å; A396-F406 CarbonylContact C-O 3.52Å; A396-F406 VanDerWaalsContact CA-O 3.31Å; A396-F406 WeakPolarHBondContact CA-O 3.35Å; A396-L407 HydrophobicContact CB-CD2 3.83Å
397	F	58.9	Low	52.1	Low	59 Å²	59	93.1 Å²	93.1	26%	0.259	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	126.5	-177.2	-57.1	-89.4	0	0	0	109.8	R395 F406 H409 Y412	R395-F397 HydrophobicContact CB-CE2 4.17Å; R395-F397 HydrophobicContact CB-CZ 4.28Å; R395-F397 WeakPolarHBondContact O-CE2 3.43Å; F397-F406 PolarHBondContact N-O 3.34Å; F397-F406 PolarHBondContact O-N 3.4Å; F397-H409 HydrophobicContact CD2-CB 4.31Å; F397-H409 AromaticContact CE1-CD2 3.6Å; F397-H409 HydrophobicContact CE2-CB 3.68Å; F397-H409 HydrophobicContact CZ-CB 3.8Å; F397-H409 AromaticContact CZ-CD2 3.74Å; F397-Y412 HydrophobicContact CB-CD1 4.11Å; F397-Y412 HydrophobicContact CB-CD2 3.69Å; F397-Y412 HydrophobicContact CB-CE2 4.19Å; F397-Y412 HydrophobicContact CB-CG 3.63Å; F397-Y412 HydrophobicContact CG-CD1 4.45Å; F397-Y412 HydrophobicContact CG-CG 4.31Å
398	K	49.3	Very low	52.1	Low	79 Å²	79	91.2 Å²	91.2	34%	0.343	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	122.6	-177.3	-175.5	174.7	172.2	-170	0	110.5	Y384 E400 L405	Y384-K398 HydrophobicContact CE2-CB 4.24Å; Y384-K398 HydrophobicContact CE2-CD 3.56Å; Y384-K398 PolarHBondContact OH-NZ 2.82Å; K398-E400 PolarHBondContact O-N 3.42Å; K398-L405 HydrophobicContact CB-CD2 3.73Å; K398-L405 HydrophobicContact CG-CD2 4.19Å
399	C	58.2	Low	52.1	Low	0 Å²	0	92 Å²	92	0%	0	47%	0.469	C	S	.	.			trans	-81.7	114.4	170.5	-179.8	0	0	0	0	109.8	H401 C402 R403 V404 F406 Y412 M416	C399-H401 PolarHBondContact O-N 2.83Å; C399-H401 PolarHBondContact SG-N 3.39Å; C399-C402 VanDerWaalsContact CB-SG 3.54Å; C399-C402 VanDerWaalsContact SG-SG 3.6Å; C399-R403 WeakPolarHBondContact O-CA 3.46Å; C399-R403 PolarHBondContact O-N 2.92Å; C399-V404 PolarHBondContact N-O 3.02Å; C399-F406 HydrophobicContact CB-CD2 4.46Å; C399-F406 HydrophobicContact CB-CE2 3.87Å; C399-Y412 HydrophobicContact CB-CE2 4.12Å; C399-M416 HydrophobicContact CB-SD 4.4Å
400	E	49.2	Very low	52.1	Low	179 Å²	179	90.6 Å²	90.6	84%	0.836	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-18.8	177.6	-61.7	-163.5	141.3	0	0	113.7	K398	K398-E400 PolarHBondContact O-N 3.42Å
401	H	45.6	Very low	51.9	Low	149 Å²	149	87.8 Å²	87.8	69%	0.69	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-40.7	-176.3	-150.9	82	0	0	0	112.8	C399 H419	C399-H401 PolarHBondContact O-N 2.83Å; C399-H401 PolarHBondContact SG-N 3.39Å; H401-H419 AromaticContact CD2-CE1 3.7Å; H401-H419 AromaticContact CD2-ND1 3.5Å; H401-H419 PolarHBondContact CD2-ND1 3.06Å
402	C	48.2	Very low	52.5	Low	51 Å²	51	87.6 Å²	87.6	35%	0.345	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115	-5.8	-179.1	64.2	0	0	0	0	113.7	C399 V404 H415	C399-C402 VanDerWaalsContact CB-SG 3.54Å; C399-C402 VanDerWaalsContact SG-SG 3.6Å; C402-V404 HydrophobicContact CB-CG2 4.22Å; C402-V404 PolarHBondContact O-N 2.68Å; C402-V404 VanDerWaalsContact SG-CB 3.58Å; C402-V404 VanDerWaalsContact SG-CG2 3.58Å; C402-V404 PolarHBondContact SG-N 2.84Å; C402-H415 PolarHBondContact SG-NE2 2.75Å
403	R	51.7	Low	52.5	Low	207 Å²	207	83.2 Å²	83.2	78%	0.781	40%	0.395	S	S	*	.			trans	65.6	3.4	-174.5	-56.7	177	175.8	172.8	-2.5	116.1	C399	C399-R403 WeakPolarHBondContact O-CA 3.46Å; C399-R403 PolarHBondContact O-N 2.92Å
404	V	50.7	Low	52.4	Low	68 Å²	68	83.2 Å²	83.2	41%	0.412	40%	0.397	S	S	.	.			trans	-68	142.4	177	179.9	0	0	0	0	111.5	C399 C402 F406	C399-V404 PolarHBondContact N-O 3.02Å; C402-V404 HydrophobicContact CB-CG2 4.22Å; C402-V404 PolarHBondContact O-N 2.68Å; C402-V404 VanDerWaalsContact SG-CB 3.58Å; C402-V404 VanDerWaalsContact SG-CG2 3.58Å; C402-V404 PolarHBondContact SG-N 2.84Å; V404-F406 HydrophobicContact CB-CE2 3.77Å; V404-F406 HydrophobicContact CB-CZ 4.02Å; V404-F406 HydrophobicContact CG1-CD2 4.23Å; V404-F406 HydrophobicContact CG1-CE1 4.21Å; V404-F406 HydrophobicContact CG1-CE2 3.66Å; V404-F406 HydrophobicContact CG1-CZ 3.64Å
405	L	51.1	Low	52.3	Low	81 Å²	81	83 Å²	83	42%	0.424	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	131.8	171.7	-79.2	160.9	0	0	0	110.2	Y384 A396 K398	Y384-L405 HydrophobicContact CD1-CD1 4.36Å; Y384-L405 HydrophobicContact CD1-CD2 4.34Å; Y384-L405 HydrophobicContact CD2-CD2 3.79Å; Y384-L405 HydrophobicContact CE1-CD1 4.43Å; Y384-L405 HydrophobicContact CE2-CD2 4.12Å; Y384-L405 HydrophobicContact CG-CD2 3.92Å; A396-L405 HydrophobicContact CB-CD2 4.49Å; K398-L405 HydrophobicContact CB-CD2 3.73Å; K398-L405 HydrophobicContact CG-CD2 4.19Å
406	F	59.5	Low	52.2	Low	32 Å²	32	75.2 Å²	75.2	14%	0.14	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	128.1	179.4	-64	-91.1	0	0	0	109.4	A396 F397 C399 V404 D408 M411 Y412 H415	A396-F406 CarbonylContact C-O 3.52Å; A396-F406 VanDerWaalsContact CA-O 3.31Å; A396-F406 WeakPolarHBondContact CA-O 3.35Å; F397-F406 PolarHBondContact N-O 3.34Å; F397-F406 PolarHBondContact O-N 3.4Å; C399-F406 HydrophobicContact CB-CD2 4.46Å; C399-F406 HydrophobicContact CB-CE2 3.87Å; V404-F406 HydrophobicContact CB-CE2 3.77Å; V404-F406 HydrophobicContact CB-CZ 4.02Å; V404-F406 HydrophobicContact CG1-CD2 4.23Å; V404-F406 HydrophobicContact CG1-CE1 4.21Å; V404-F406 HydrophobicContact CG1-CE2 3.66Å; V404-F406 HydrophobicContact CG1-CZ 3.64Å; F406-D408 PolarHBondContact O-N 2.87Å; F406-M411 HydrophobicContact CD1-CB 4.1Å; F406-Y412 AromaticContact CD2-CD2 3.94Å; F406-Y412 HydrophobicContact CD2-CD2 3.94Å; F406-H415 HydrophobicContact CE1-CB 3.99Å; F406-H415 HydrophobicContact CE2-CB 4.37Å; F406-H415 AromaticContact CE2-CD2 3.66Å; F406-H415 AromaticContact CE2-CG 3.95Å; F406-H415 HydrophobicContact CZ-CB 3.76Å; F406-H415 AromaticContact CZ-CD2 3.48Å; F406-H415 VanDerWaalsContact CZ-CD2 3.48Å; F406-H415 WeakPolarHBondContact CZ-CD2 3.48Å; F406-H415 AromaticContact CZ-CE1 3.9Å; F406-H415 AromaticContact CZ-CG 3.33Å; F406-H415 AromaticContact CZ-ND1 3.63Å; F406-H415 AromaticContact CZ-NE2 3.84Å
407	L	55.3	Low	51.7	Low	101 Å²	101	77.1 Å²	77.1	53%	0.529	39%	0.388	S	S	.	.	S	Bend	trans	-83.2	-0.4	179.1	-59.2	-173.9	0	0	0	113.8	V386 I394 A396	V386-L407 HydrophobicContact CB-CD2 4.24Å; V386-L407 HydrophobicContact CG1-CD2 3.96Å; V386-L407 HydrophobicContact CG2-CD2 4.1Å; I394-L407 HydrophobicContact CG2-CB 4.01Å; I394-L407 HydrophobicContact CG2-CD2 4.17Å; A396-L407 HydrophobicContact CB-CD2 3.83Å
408	D	55.1	Low	51	Low	68 Å²	68	79.2 Å²	79.2	36%	0.364	41%	0.409	S	S	.	.			trans	-135.9	137.7	179.3	167.2	35.6	0	0	0	110.6	F406 V410 M411 Y412	F406-D408 PolarHBondContact O-N 2.87Å; D408-V410 VanDerWaalsContact C-N 3.34Å; D408-V410 VanDerWaalsContact CG-N 3.35Å; D408-V410 PolarHBondContact OD1-N 3.31Å; D408-V410 WeakPolarHBondContact OD2-CB 3.39Å; D408-V410 PolarHBondContact OD2-N 2.76Å; D408-M411 HydrophobicContact CB-CB 4.27Å; D408-M411 HydrophobicContact CB-CG 4.17Å; D408-M411 WeakPolarHBondContact OD2-CG 3.32Å; D408-M411 PolarHBondContact OD2-N 2.97Å; D408-Y412 WeakPolarHBondContact O-CB 3.44Å; D408-Y412 PolarHBondContact O-N 3.2Å
409	H	50.1	Low	51	Low	60 Å²	60	79 Å²	79	28%	0.278	41%	0.409	S	S	.	.	H	α-helix	trans	-68	-31.7	177.2	-171.7	-109.1	0	0	0	112.4	F397 T413	F397-H409 HydrophobicContact CD2-CB 4.31Å; F397-H409 AromaticContact CE1-CD2 3.6Å; F397-H409 HydrophobicContact CE2-CB 3.68Å; F397-H409 HydrophobicContact CZ-CB 3.8Å; F397-H409 AromaticContact CZ-CD2 3.74Å; H409-T413 VanDerWaalsContact O-CB 3.31Å; H409-T413 WeakPolarHBondContact O-CB 3.06Å; H409-T413 PolarHBondContact O-N 2.84Å; H409-T413 PolarHBondContact O-OG1 2.92Å
410	V	45	Very low	50.3	Low	64 Å²	64	81.7 Å²	81.7	39%	0.388	44%	0.437	S	S	.	.	H	α-helix	trans	-70	-48.6	178.4	-174	0	0	0	0	109.8	D408 Y412 T413 I414	D408-V410 VanDerWaalsContact C-N 3.34Å; D408-V410 VanDerWaalsContact CG-N 3.35Å; D408-V410 PolarHBondContact OD1-N 3.31Å; D408-V410 WeakPolarHBondContact OD2-CB 3.39Å; D408-V410 PolarHBondContact OD2-N 2.76Å; V410-Y412 PolarHBondContact O-N 3.39Å; V410-T413 PolarHBondContact O-N 3.08Å; V410-T413 VanDerWaalsContact O-N 3.16Å; V410-I414 HydrophobicContact CG1-CD1 3.98Å; V410-I414 WeakPolarHBondContact O-CG1 3.3Å; V410-I414 PolarHBondContact O-N 2.68Å
411	M	47.6	Very low	50.1	Low	108 Å²	108	78.6 Å²	78.6	53%	0.532	42%	0.418	S	S	.	.	H	α-helix	trans	-56.3	-45.3	172	-67.9	-114.6	71.7	0	0	112.7	F406 D408 T413 I414 H415	F406-M411 HydrophobicContact CD1-CB 4.1Å; D408-M411 HydrophobicContact CB-CB 4.27Å; D408-M411 HydrophobicContact CB-CG 4.17Å; D408-M411 WeakPolarHBondContact OD2-CG 3.32Å; D408-M411 PolarHBondContact OD2-N 2.97Å; M411-T413 PolarHBondContact O-N 2.97Å; M411-I414 PolarHBondContact O-N 2.94Å; M411-H415 WeakPolarHBondContact O-CB 3.42Å; M411-H415 PolarHBondContact O-N 3.05Å
412	Y	58.9	Low	49.7	Very low	49 Å²	49	82.8 Å²	82.8	19%	0.192	43%	0.428	C	S	.	.	H	α-helix	trans	-59.1	-45.2	174	176.7	-104.7	0	0	0	112.3	F397 C399 F406 D408 V410 H415 M416	F397-Y412 HydrophobicContact CB-CD1 4.11Å; F397-Y412 HydrophobicContact CB-CD2 3.69Å; F397-Y412 HydrophobicContact CB-CE2 4.19Å; F397-Y412 HydrophobicContact CB-CG 3.63Å; F397-Y412 HydrophobicContact CG-CD1 4.45Å; F397-Y412 HydrophobicContact CG-CG 4.31Å; C399-Y412 HydrophobicContact CB-CE2 4.12Å; F406-Y412 AromaticContact CD2-CD2 3.94Å; F406-Y412 HydrophobicContact CD2-CD2 3.94Å; D408-Y412 WeakPolarHBondContact O-CB 3.44Å; D408-Y412 PolarHBondContact O-N 3.2Å; V410-Y412 PolarHBondContact O-N 3.39Å; Y412-H415 PolarHBondContact O-N 3.44Å; Y412-M416 HydrophobicContact CD1-CG 4.35Å; Y412-M416 HydrophobicContact CD2-CG 4.26Å; Y412-M416 HydrophobicContact CE1-CG 4.02Å; Y412-M416 HydrophobicContact CE2-CG 3.91Å; Y412-M416 HydrophobicContact CE2-SD 4.22Å; Y412-M416 HydrophobicContact CG-CG 4.47Å; Y412-M416 WeakPolarHBondContact O-CB 3.35Å; Y412-M416 VanDerWaalsContact O-CG 3.24Å; Y412-M416 WeakPolarHBondContact O-CG 3.28Å; Y412-M416 PolarHBondContact O-N 3.46Å
413	T	51.3	Low	49.6	Very low	37 Å²	37	83.1 Å²	83.1	23%	0.227	43%	0.426	C	S	.	.	H	α-helix	trans	-62.8	-46.1	179.5	-61	0	0	0	0	111.6	H409 V410 M411 H415 M416 G417 I444	H409-T413 VanDerWaalsContact O-CB 3.31Å; H409-T413 WeakPolarHBondContact O-CB 3.06Å; H409-T413 PolarHBondContact O-N 2.84Å; H409-T413 PolarHBondContact O-OG1 2.92Å; V410-T413 PolarHBondContact O-N 3.08Å; V410-T413 VanDerWaalsContact O-N 3.16Å; M411-T413 PolarHBondContact O-N 2.97Å; T413-H415 PolarHBondContact O-N 2.86Å; T413-M416 PolarHBondContact O-N 2.83Å; T413-G417 PolarHBondContact O-N 3.1Å; T413-I444 HydrophobicContact CG2-CB 4.34Å; T413-I444 HydrophobicContact CG2-CD1 3.79Å; T413-I444 HydrophobicContact CG2-CG2 3.79Å
414	I	47.2	Very low	49.4	Very low	99 Å²	99	77 Å²	77	51%	0.508	41%	0.413	S	S	.	.	H	α-helix	trans	-59.7	-48.1	176.6	-67.8	165.4	0	0	0	109.9	V410 M411 M416 G417 C418	V410-I414 HydrophobicContact CG1-CD1 3.98Å; V410-I414 WeakPolarHBondContact O-CG1 3.3Å; V410-I414 PolarHBondContact O-N 2.68Å; M411-I414 PolarHBondContact O-N 2.94Å; I414-M416 VanDerWaalsContact C-N 3.34Å; I414-M416 PolarHBondContact O-N 3.27Å; I414-G417 WeakPolarHBondContact O-CA 3.31Å; I414-G417 PolarHBondContact O-N 3.38Å; I414-G417 VanDerWaalsContact O-N 3.09Å; I414-C418 PolarHBondContact O-N 3.39Å; I414-C418 PolarHBondContact O-SG 3.44Å; I414-C418 VanDerWaalsContact O-SG 3.32Å
415	H	53.4	Low	49.4	Very low	45 Å²	45	75.8 Å²	75.8	21%	0.208	41%	0.405	C	S	.	.	H	α-helix	trans	-59.9	-41.7	178.2	-175.5	77.8	0	0	0	112.6	C402 F406 M411 Y412 T413 G417 C418 H419	C402-H415 PolarHBondContact SG-NE2 2.75Å; F406-H415 HydrophobicContact CE1-CB 3.99Å; F406-H415 HydrophobicContact CE2-CB 4.37Å; F406-H415 AromaticContact CE2-CD2 3.66Å; F406-H415 AromaticContact CE2-CG 3.95Å; F406-H415 HydrophobicContact CZ-CB 3.76Å; F406-H415 AromaticContact CZ-CD2 3.48Å; F406-H415 VanDerWaalsContact CZ-CD2 3.48Å; F406-H415 WeakPolarHBondContact CZ-CD2 3.48Å; F406-H415 AromaticContact CZ-CE1 3.9Å; F406-H415 AromaticContact CZ-CG 3.33Å; F406-H415 AromaticContact CZ-ND1 3.63Å; F406-H415 AromaticContact CZ-NE2 3.84Å; M411-H415 WeakPolarHBondContact O-CB 3.42Å; M411-H415 PolarHBondContact O-N 3.05Å; Y412-H415 PolarHBondContact O-N 3.44Å; T413-H415 PolarHBondContact O-N 2.86Å; H415-G417 VanDerWaalsContact C-N 3.34Å; H415-C418 WeakPolarHBondContact O-CB 3.26Å; H415-C418 PolarHBondContact O-N 3.24Å; H415-H419 AromaticContact CD2-CD2 3.84Å; H415-H419 AromaticContact CD2-NE2 3.47Å; H415-H419 PolarHBondContact CD2-NE2 2.94Å; H415-H419 AromaticContact CE1-NE2 3.48Å; H415-H419 PolarHBondContact CE1-NE2 3.04Å; H415-H419 AromaticContact NE2-CD2 3.77Å; H415-H419 AromaticContact NE2-CE1 3.93Å; H415-H419 AromaticContact NE2-NE2 2.91Å; H415-H419 PolarHBondContact NE2-NE2 2.66Å; H415-H419 PolarHBondContact O-CD2 3.42Å; H415-H419 PolarHBondContact O-N 3.36Å
416	M	52.9	Low	49.1	Very low	32 Å²	32	75.4 Å²	75.4	16%	0.158	40%	0.4	C	S	.	.	H	α-helix	trans	-67.4	-33.7	175	-68.2	-66	-85.7	0	0	112.1	C399 Y412 T413 I414 H419 Y421	C399-M416 HydrophobicContact CB-SD 4.4Å; Y412-M416 HydrophobicContact CD1-CG 4.35Å; Y412-M416 HydrophobicContact CD2-CG 4.26Å; Y412-M416 HydrophobicContact CE1-CG 4.02Å; Y412-M416 HydrophobicContact CE2-CG 3.91Å; Y412-M416 HydrophobicContact CE2-SD 4.22Å; Y412-M416 HydrophobicContact CG-CG 4.47Å; Y412-M416 WeakPolarHBondContact O-CB 3.35Å; Y412-M416 VanDerWaalsContact O-CG 3.24Å; Y412-M416 WeakPolarHBondContact O-CG 3.28Å; Y412-M416 PolarHBondContact O-N 3.46Å; T413-M416 PolarHBondContact O-N 2.83Å; I414-M416 VanDerWaalsContact C-N 3.34Å; I414-M416 PolarHBondContact O-N 3.27Å; M416-H419 PolarHBondContact O-N 3.19Å; M416-Y421 HydrophobicContact CB-CE2 4.27Å; M416-Y421 HydrophobicContact CE-CE2 3.88Å; M416-Y421 WeakPolarHBondContact CE-OH 3.34Å; M416-Y421 WeakPolarHBondContact O-CD2 3.37Å
417	G	46.9	Very low	48.5	Very low	52 Å²	52	74.2 Å²	74.2	54%	0.536	40%	0.396	S	S	.	.	H	α-helix	trans	-61.6	-40.3	169.8	0	0	0	0	0	113.1	T413 I414 H415 H419 G420	T413-G417 PolarHBondContact O-N 3.1Å; I414-G417 WeakPolarHBondContact O-CA 3.31Å; I414-G417 PolarHBondContact O-N 3.38Å; I414-G417 VanDerWaalsContact O-N 3.09Å; H415-G417 VanDerWaalsContact C-N 3.34Å; G417-H419 PolarHBondContact O-N 3.41Å; G417-G420 PolarHBondContact O-N 2.99Å; G417-G420 VanDerWaalsContact O-N 3.11Å
418	C	44.7	Very low	47.9	Very low	102 Å²	102	74.4 Å²	74.4	69%	0.689	40%	0.398	S	S	*	.	H	α-helix	trans	-62	-27.4	176.1	-64.2	0	0	0	0	113.5	I414 H415 G420	I414-C418 PolarHBondContact O-N 3.39Å; I414-C418 PolarHBondContact O-SG 3.44Å; I414-C418 VanDerWaalsContact O-SG 3.32Å; H415-C418 WeakPolarHBondContact O-CB 3.26Å; H415-C418 PolarHBondContact O-N 3.24Å; C418-G420 PolarHBondContact O-N 2.83Å
419	H	47.6	Very low	47.1	Very low	74 Å²	74	76.6 Å²	76.6	34%	0.343	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	3	175.5	-70.2	-60.6	0	0	0	114.5	H401 H415 M416 G417	H401-H419 AromaticContact CD2-CE1 3.7Å; H401-H419 AromaticContact CD2-ND1 3.5Å; H401-H419 PolarHBondContact CD2-ND1 3.06Å; H415-H419 AromaticContact CD2-CD2 3.84Å; H415-H419 AromaticContact CD2-NE2 3.47Å; H415-H419 PolarHBondContact CD2-NE2 2.94Å; H415-H419 AromaticContact CE1-NE2 3.48Å; H415-H419 PolarHBondContact CE1-NE2 3.04Å; H415-H419 AromaticContact NE2-CD2 3.77Å; H415-H419 AromaticContact NE2-CE1 3.93Å; H415-H419 AromaticContact NE2-NE2 2.91Å; H415-H419 PolarHBondContact NE2-NE2 2.66Å; H415-H419 PolarHBondContact O-CD2 3.42Å; H415-H419 PolarHBondContact O-N 3.36Å; M416-H419 PolarHBondContact O-N 3.19Å; G417-H419 PolarHBondContact O-N 3.41Å
420	G	45	Very low	46.7	Very low	58 Å²	58	76.4 Å²	76.4	60%	0.598	41%	0.413	S	S	*	.			trans	68.1	57.7	168.3	0	0	0	0	0	113.5	G417 C418	G417-G420 PolarHBondContact O-N 2.99Å; G417-G420 VanDerWaalsContact O-N 3.11Å; C418-G420 PolarHBondContact O-N 2.83Å
421	Y	43.6	Very low	46.5	Very low	114 Å²	114	75.6 Å²	75.6	45%	0.447	42%	0.418	S	S	.	.			trans	-54.4	147	172.4	-92.9	-91.9	0	0	0	112	M416 D423 N428	M416-Y421 HydrophobicContact CB-CE2 4.27Å; M416-Y421 HydrophobicContact CE-CE2 3.88Å; M416-Y421 WeakPolarHBondContact CE-OH 3.34Å; M416-Y421 WeakPolarHBondContact O-CD2 3.37Å; Y421-D423 PolarHBondContact O-N 2.65Å; Y421-N428 HydrophobicContact CD1-CB 4.22Å; Y421-N428 HydrophobicContact CE1-CB 4.12Å
422	R	38.8	Very low	46.3	Very low	237 Å²	237	73.9 Å²	73.9	89%	0.894	41%	0.406	S	S	*	.	S	Bend	trans	-70.8	-8.8	-154.9	-145.6	179.5	-171.3	-170.4	1	115.6
423	D	44.8	Very low	45.6	Very low	57 Å²	57	78.8 Å²	78.8	31%	0.305	42%	0.424	S	S	.	.	S	Bend	trans	-144.1	116.3	167.4	-153.8	-14.6	0	0	0	106.7	Y421 L425 E426 R433	Y421-D423 PolarHBondContact O-N 2.65Å; D423-L425 PolarHBondContact O-N 2.84Å; D423-E426 HydrophobicContact CB-CB 4.22Å; D423-E426 PolarHBondContact O-N 2.84Å; D423-R433 IonicContact OD1-NH2 2.87Å; D423-R433 IonicContact OD2-CZ 2.83Å; D423-R433 IonicContact OD2-NE 2.75Å; D423-R433 IonicContact OD2-NH2 2.86Å; D423-R433 PolarHBondContact OD2-NH2 3.05Å
424	P	48.3	Very low	45.6	Very low	78 Å²	78	77.3 Å²	77.3	51%	0.506	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	16	-166.1	32.1	-38.3	0	0	0	114.6
425	L	49.5	Very low	45.6	Very low	44 Å²	44	81.3 Å²	81.3	23%	0.23	43%	0.432	C	S	.	.	T	Hydrogen-bonded Turn	trans	-134	-5.9	-176.5	-68	174.2	0	0	0	113	D423 R433 S434 R437 F440	D423-L425 PolarHBondContact O-N 2.84Å; L425-R433 WeakPolarHBondContact O-CA 3.19Å; L425-S434 WeakPolarHBondContact CB-O 3.46Å; L425-S434 PolarHBondContact O-N 3.19Å; L425-R437 HydrophobicContact CD2-CG 4.29Å; L425-F440 WeakPolarHBondContact O-CD2 3.28Å
426	E	45	Very low	45.2	Very low	72 Å²	72	82.9 Å²	82.9	34%	0.336	44%	0.442	S	S	.	.	B	Isolated β-bridge	trans	-112.4	122.6	-173.4	-162.2	174	127.4	0	0	112.7	D423 N428 Y432 R433	D423-E426 HydrophobicContact CB-CB 4.22Å; D423-E426 PolarHBondContact O-N 2.84Å; E426-N428 PolarHBondContact O-N 2.75Å; E426-N428 PolarHBondContact O-ND2 3.37Å; E426-Y432 CarbonylContact C-O 3.59Å; E426-Y432 WeakPolarHBondContact CA-O 3.38Å; E426-R433 HydrophobicContact CB-CG 4.15Å; E426-R433 HydrophobicContact CG-CB 4.28Å; E426-R433 HydrophobicContact CG-CG 4.15Å; E426-R433 VanDerWaalsContact OE2-CD 3.22Å; E426-R433 WeakPolarHBondContact OE2-CD 3.28Å; E426-R433 IonicContact OE2-NE 3.59Å; E426-R433 PolarHBondContact OE2-NE 3.14Å
427	C	47.4	Very low	44.6	Very low	8 Å²	8	89.9 Å²	89.9	5%	0.054	47%	0.466	C	S	.	.			trans	-79.8	110	-176.2	-175.3	0	0	0	0	109.4	I429 C430 G431 Y432 F440 H449	C427-I429 PolarHBondContact O-N 3.18Å; C427-C430 PolarHBondContact O-N 3.2Å; C427-C430 VanDerWaalsContact SG-SG 3.66Å; C427-G431 WeakPolarHBondContact O-CA 3.39Å; C427-G431 PolarHBondContact O-N 3.19Å; C427-Y432 PolarHBondContact N-O 2.86Å; C427-F440 HydrophobicContact CB-CE2 3.86Å; C427-F440 HydrophobicContact CB-CZ 4.29Å; C427-H449 VanDerWaalsContact SG-CE1 3.59Å
428	N	41.9	Very low	44.5	Very low	105 Å²	105	97.2 Å²	97.2	56%	0.561	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	3.9	-176.9	-73.9	-113.7	0	0	0	113.6	Y421 E426	Y421-N428 HydrophobicContact CD1-CB 4.22Å; Y421-N428 HydrophobicContact CE1-CB 4.12Å; E426-N428 PolarHBondContact O-N 2.75Å; E426-N428 PolarHBondContact O-ND2 3.37Å
429	I	38.8	Very low	44.4	Very low	113 Å²	113	96 Å²	96	58%	0.579	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.9	-44.7	177.2	-58.5	174.7	0	0	0	111.4	C427	C427-I429 PolarHBondContact O-N 3.18Å
430	C	41.9	Very low	44.3	Very low	57 Å²	57	94.3 Å²	94.3	39%	0.385	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.5	-2.8	-177.6	65.3	0	0	0	0	115.4	C427 Y432 H449	C427-C430 PolarHBondContact O-N 3.2Å; C427-C430 VanDerWaalsContact SG-SG 3.66Å; C430-Y432 PolarHBondContact O-N 2.83Å; C430-Y432 VanDerWaalsContact SG-CB 3.54Å; C430-H449 VanDerWaalsContact SG-CE1 3.53Å; C430-H449 PolarHBondContact SG-ND1 2.69Å
431	G	41.7	Very low	44.1	Very low	47 Å²	47	94.6 Å²	94.6	49%	0.485	45%	0.448	S	S	.	.			trans	73.4	4.3	-176.2	0	0	0	0	0	115.1	C427 R433	C427-G431 WeakPolarHBondContact O-CA 3.39Å; C427-G431 PolarHBondContact O-N 3.19Å; G431-R433 PolarHBondContact O-N 2.86Å
432	Y	43	Very low	44	Very low	71 Å²	71	91 Å²	91	28%	0.278	44%	0.44	S	S	.	.			trans	-61.4	125.8	176.5	177.1	-104.6	0	0	0	110.9	E426 C427 C430 E439 H443	E426-Y432 CarbonylContact C-O 3.59Å; E426-Y432 WeakPolarHBondContact CA-O 3.38Å; C427-Y432 PolarHBondContact N-O 2.86Å; C430-Y432 PolarHBondContact O-N 2.83Å; C430-Y432 VanDerWaalsContact SG-CB 3.54Å; Y432-E439 WeakPolarHBondContact OH-CG 3.46Å; Y432-E439 PolarHBondContact OH-OE1 3.41Å; Y432-E439 PolarHBondContact OH-OE2 3.32Å; Y432-H443 HydrophobicContact CD1-CB 4.06Å; Y432-H443 AromaticContact CD1-CD2 3.23Å; Y432-H443 WeakPolarHBondContact CD1-CD2 3.29Å; Y432-H443 AromaticContact CD1-CG 3.67Å; Y432-H443 AromaticContact CD1-NE2 3.8Å; Y432-H443 AromaticContact CD2-CD2 3.5Å; Y432-H443 VanDerWaalsContact CD2-CD2 3.5Å; Y432-H443 WeakPolarHBondContact CD2-CD2 3.43Å; Y432-H443 AromaticContact CD2-NE2 3.62Å; Y432-H443 HydrophobicContact CE1-CB 3.83Å; Y432-H443 AromaticContact CE1-CD2 3.4Å; Y432-H443 WeakPolarHBondContact CE1-CD2 3.23Å; Y432-H443 AromaticContact CE1-CG 3.84Å; Y432-H443 AromaticContact CE2-CD2 3.69Å; Y432-H443 AromaticContact CG-CD2 3.26Å; Y432-H443 AromaticContact CG-NE2 3.37Å; Y432-H443 AromaticContact CZ-CD2 3.63Å
433	R	44.3	Very low	44.2	Very low	153 Å²	153	80.7 Å²	80.7	58%	0.577	40%	0.402	S	S	*	.	B	Isolated β-bridge	trans	-117.1	100.5	-177	-158.1	171	-162.4	-98.4	-2.4	109.4	D423 L425 E426 G431	D423-R433 IonicContact OD1-NH2 2.87Å; D423-R433 IonicContact OD2-CZ 2.83Å; D423-R433 IonicContact OD2-NE 2.75Å; D423-R433 IonicContact OD2-NH2 2.86Å; D423-R433 PolarHBondContact OD2-NH2 3.05Å; L425-R433 WeakPolarHBondContact O-CA 3.19Å; E426-R433 HydrophobicContact CB-CG 4.15Å; E426-R433 HydrophobicContact CG-CB 4.28Å; E426-R433 HydrophobicContact CG-CG 4.15Å; E426-R433 VanDerWaalsContact OE2-CD 3.22Å; E426-R433 WeakPolarHBondContact OE2-CD 3.28Å; E426-R433 IonicContact OE2-NE 3.59Å; E426-R433 PolarHBondContact OE2-NE 3.14Å; G431-R433 PolarHBondContact O-N 2.86Å
434	S	50.3	Low	44.2	Very low	6 Å²	6	78.8 Å²	78.8	4%	0.042	39%	0.391	C	S	.	.			trans	-76.3	164	-178.9	-173.7	0	0	0	0	111.6	L425 D436 E439 F440	L425-S434 WeakPolarHBondContact CB-O 3.46Å; L425-S434 PolarHBondContact O-N 3.19Å; S434-D436 PolarHBondContact OG-N 2.83Å; S434-D436 PolarHBondContact OG-O 3.03Å; S434-E439 WeakPolarHBondContact CA-OE2 3.49Å; S434-E439 WeakPolarHBondContact CB-OE2 3.04Å; S434-E439 VanDerWaalsContact OG-CB 3.31Å; S434-E439 WeakPolarHBondContact OG-CB 3.46Å; S434-E439 WeakPolarHBondContact OG-CG 3.35Å; S434-E439 PolarHBondContact OG-OE2 3.41Å; S434-F440 PolarHBondContact OG-N 3.05Å; S434-F440 VanDerWaalsContact OG-N 3.14Å
435	Q	46.9	Very low	43.8	Very low	183 Å²	183	80 Å²	80	86%	0.855	40%	0.397	S	S	*	.	S	Bend	trans	-96.5	-17.6	170.4	-63.5	-172.7	7.7	0	0	113.2	E439	Q435-E439 PolarHBondContact N-OE2 2.8Å
436	D	45.7	Very low	43.5	Very low	78 Å²	78	85.1 Å²	85.1	42%	0.417	41%	0.413	S	S	.	.	S	Bend	trans	-140.9	166.1	175.7	85.4	61.6	0	0	0	113.7	S434 Y438 E439 F440	S434-D436 PolarHBondContact OG-N 2.83Å; S434-D436 PolarHBondContact OG-O 3.03Å; D436-Y438 VanDerWaalsContact OD1-CA 3.3Å; D436-Y438 WeakPolarHBondContact OD1-CA 3.41Å; D436-Y438 WeakPolarHBondContact OD1-CB 3.38Å; D436-Y438 PolarHBondContact OD1-N 2.89Å; D436-E439 PolarHBondContact OD1-N 3.05Å; D436-F440 WeakPolarHBondContact O-CB 3.47Å; D436-F440 PolarHBondContact O-N 3.3Å; D436-F440 VanDerWaalsContact O-N 3.15Å
437	R	41.1	Very low	43.3	Very low	179 Å²	179	84.1 Å²	84.1	68%	0.675	42%	0.422	S	S	*	.	H	α-helix	trans	-79.6	-19.9	-175.1	-84.5	-175.2	-88.8	-167.5	-6.5	114.9	L425 S441	L425-R437 HydrophobicContact CD2-CG 4.29Å; R437-S441 WeakPolarHBondContact O-CB 3.46Å; R437-S441 PolarHBondContact O-N 2.98Å; R437-S441 PolarHBondContact O-OG 3.07Å
438	Y	45.1	Very low	42.9	Very low	205 Å²	205	89 Å²	89	80%	0.804	44%	0.444	S	S	*	.	H	α-helix	trans	-78.2	-44	172.7	-78.9	-84.3	0	0	0	111.2	D436 S441 S442	D436-Y438 VanDerWaalsContact OD1-CA 3.3Å; D436-Y438 WeakPolarHBondContact OD1-CA 3.41Å; D436-Y438 WeakPolarHBondContact OD1-CB 3.38Å; D436-Y438 PolarHBondContact OD1-N 2.89Å; Y438-S441 PolarHBondContact O-N 3.41Å; Y438-S442 WeakPolarHBondContact O-CB 3.42Å; Y438-S442 PolarHBondContact O-N 3.34Å
439	E	42.8	Very low	42.7	Very low	76 Å²	76	85.4 Å²	85.4	36%	0.355	42%	0.424	S	S	.	.	H	α-helix	trans	-58.7	-48.2	172.2	177.1	-172.4	-121.7	0	0	110.7	Y432 S434 Q435 D436 S441 S442 H443	Y432-E439 WeakPolarHBondContact OH-CG 3.46Å; Y432-E439 PolarHBondContact OH-OE1 3.41Å; Y432-E439 PolarHBondContact OH-OE2 3.32Å; S434-E439 WeakPolarHBondContact CA-OE2 3.49Å; S434-E439 WeakPolarHBondContact CB-OE2 3.04Å; S434-E439 VanDerWaalsContact OG-CB 3.31Å; S434-E439 WeakPolarHBondContact OG-CB 3.46Å; S434-E439 WeakPolarHBondContact OG-CG 3.35Å; S434-E439 PolarHBondContact OG-OE2 3.41Å; Q435-E439 PolarHBondContact N-OE2 2.8Å; D436-E439 PolarHBondContact OD1-N 3.05Å; E439-S441 PolarHBondContact O-N 3.36Å; E439-S442 CarbonylContact O-C 3.6Å; E439-S442 WeakPolarHBondContact O-CA 3.2Å; E439-S442 WeakPolarHBondContact O-CB 3.44Å; E439-S442 PolarHBondContact O-N 2.85Å; E439-S442 VanDerWaalsContact O-N 3.08Å; E439-H443 PolarHBondContact O-N 2.91Å
440	F	43.6	Very low	42.3	Very low	39 Å²	39	86.1 Å²	86.1	17%	0.171	43%	0.433	C	S	.	.	H	α-helix	trans	-54.3	-50.1	174.7	-174.3	-102.6	0	0	0	113	L425 C427 S434 D436 S442 H443 I444	L425-F440 WeakPolarHBondContact O-CD2 3.28Å; C427-F440 HydrophobicContact CB-CE2 3.86Å; C427-F440 HydrophobicContact CB-CZ 4.29Å; S434-F440 PolarHBondContact OG-N 3.05Å; S434-F440 VanDerWaalsContact OG-N 3.14Å; D436-F440 WeakPolarHBondContact O-CB 3.47Å; D436-F440 PolarHBondContact O-N 3.3Å; D436-F440 VanDerWaalsContact O-N 3.15Å; F440-S442 VanDerWaalsContact C-N 3.28Å; F440-S442 PolarHBondContact O-N 3.11Å; F440-H443 PolarHBondContact O-N 3.31Å; F440-I444 HydrophobicContact CD1-CD1 4.08Å; F440-I444 HydrophobicContact CE1-CD1 3.57Å; F440-I444 HydrophobicContact CE2-CD1 4.49Å; F440-I444 HydrophobicContact CZ-CD1 3.82Å; F440-I444 PolarHBondContact O-N 2.87Å
441	S	41.4	Very low	41.6	Very low	65 Å²	65	92 Å²	92	46%	0.455	45%	0.453	S	S	.	.	H	α-helix	trans	-62.2	-38	177.1	-57.5	0	0	0	0	111.4	R437 Y438 E439 I444 V445	R437-S441 WeakPolarHBondContact O-CB 3.46Å; R437-S441 PolarHBondContact O-N 2.98Å; R437-S441 PolarHBondContact O-OG 3.07Å; Y438-S441 PolarHBondContact O-N 3.41Å; E439-S441 PolarHBondContact O-N 3.36Å; S441-I444 PolarHBondContact O-N 2.79Å; S441-V445 WeakPolarHBondContact O-CB 3.46Å; S441-V445 VanDerWaalsContact O-CG2 3.3Å; S441-V445 WeakPolarHBondContact O-CG2 3.27Å; S441-V445 PolarHBondContact O-N 3.08Å
442	S	41.5	Very low	40.8	Very low	39 Å²	39	101.7 Å²	101.7	27%	0.273	49%	0.485	S	S	.	.	H	α-helix	trans	-69.8	-37.6	-179.9	-166	0	0	0	0	112.8	Y438 E439 F440 V445 R446	Y438-S442 WeakPolarHBondContact O-CB 3.42Å; Y438-S442 PolarHBondContact O-N 3.34Å; E439-S442 CarbonylContact O-C 3.6Å; E439-S442 WeakPolarHBondContact O-CA 3.2Å; E439-S442 WeakPolarHBondContact O-CB 3.44Å; E439-S442 PolarHBondContact O-N 2.85Å; E439-S442 VanDerWaalsContact O-N 3.08Å; F440-S442 VanDerWaalsContact C-N 3.28Å; F440-S442 PolarHBondContact O-N 3.11Å; S442-V445 PolarHBondContact O-N 3.34Å; S442-R446 WeakPolarHBondContact O-CG 3.33Å; S442-R446 PolarHBondContact O-N 3.4Å; S442-R446 PolarHBondContact OG-NH1 3.5Å; S442-R446 VanDerWaalsContact OG-NH1 3.09Å; S442-R446 PolarHBondContact OG-NH2 3.45Å
443	H	43.4	Very low	40.7	Very low	19 Å²	19	103.2 Å²	103.2	9%	0.088	50%	0.495	C	S	.	.	H	α-helix	trans	-60.6	-44.2	173.1	-178.9	-54.5	0	0	0	111.4	Y432 E439 F440 R446 G447 E448 H449	Y432-H443 HydrophobicContact CD1-CB 4.06Å; Y432-H443 AromaticContact CD1-CD2 3.23Å; Y432-H443 WeakPolarHBondContact CD1-CD2 3.29Å; Y432-H443 AromaticContact CD1-CG 3.67Å; Y432-H443 AromaticContact CD1-NE2 3.8Å; Y432-H443 AromaticContact CD2-CD2 3.5Å; Y432-H443 VanDerWaalsContact CD2-CD2 3.5Å; Y432-H443 WeakPolarHBondContact CD2-CD2 3.43Å; Y432-H443 AromaticContact CD2-NE2 3.62Å; Y432-H443 HydrophobicContact CE1-CB 3.83Å; Y432-H443 AromaticContact CE1-CD2 3.4Å; Y432-H443 WeakPolarHBondContact CE1-CD2 3.23Å; Y432-H443 AromaticContact CE1-CG 3.84Å; Y432-H443 AromaticContact CE2-CD2 3.69Å; Y432-H443 AromaticContact CG-CD2 3.26Å; Y432-H443 AromaticContact CG-NE2 3.37Å; Y432-H443 AromaticContact CZ-CD2 3.63Å; E439-H443 PolarHBondContact O-N 2.91Å; F440-H443 PolarHBondContact O-N 3.31Å; H443-R446 PolarHBondContact O-N 3.48Å; H443-G447 PolarHBondContact O-N 3.25Å; H443-E448 PolarHBondContact CE1-O 3.13Å; H443-H449 AromaticContact CE1-CE1 3.64Å; H443-H449 AromaticContact CE1-ND1 3.89Å; H443-H449 AromaticContact ND1-CE1 3.58Å
444	I	45	Very low	40.5	Very low	17 Å²	17	100.6 Å²	100.6	9%	0.087	49%	0.491	C	S	.	.	H	α-helix	trans	-69	-38	179.4	-57.8	170.5	0	0	0	110.7	T413 F440 S441 R446 G447	T413-I444 HydrophobicContact CG2-CB 4.34Å; T413-I444 HydrophobicContact CG2-CD1 3.79Å; T413-I444 HydrophobicContact CG2-CG2 3.79Å; F440-I444 HydrophobicContact CD1-CD1 4.08Å; F440-I444 HydrophobicContact CE1-CD1 3.57Å; F440-I444 HydrophobicContact CE2-CD1 4.49Å; F440-I444 HydrophobicContact CZ-CD1 3.82Å; F440-I444 PolarHBondContact O-N 2.87Å; S441-I444 PolarHBondContact O-N 2.79Å; I444-R446 VanDerWaalsContact C-N 3.33Å; I444-R446 PolarHBondContact O-N 3.29Å; I444-G447 PolarHBondContact O-N 3.15Å; I444-G447 VanDerWaalsContact O-N 3.14Å
445	V	40.2	Very low	40	Very low	103 Å²	103	105.8 Å²	105.8	62%	0.624	52%	0.516	S	S	*	.	H	α-helix	trans	-65.8	-30.7	174.7	167.4	0	0	0	0	112.9	S441 S442 G447	S441-V445 WeakPolarHBondContact O-CB 3.46Å; S441-V445 VanDerWaalsContact O-CG2 3.3Å; S441-V445 WeakPolarHBondContact O-CG2 3.27Å; S441-V445 PolarHBondContact O-N 3.08Å; S442-V445 PolarHBondContact O-N 3.34Å; V445-G447 VanDerWaalsContact C-N 3.25Å; V445-G447 PolarHBondContact O-N 3.25Å
446	R	41.9	Very low	39.6	Very low	153 Å²	153	101.3 Å²	101.3	58%	0.577	50%	0.496	S	S	*	.	H	α-helix	trans	-73.3	-14.1	173	-72.3	-173.6	-167.8	91.7	12.7	113.9	S442 H443 I444 E448	S442-R446 WeakPolarHBondContact O-CG 3.33Å; S442-R446 PolarHBondContact O-N 3.4Å; S442-R446 PolarHBondContact OG-NH1 3.5Å; S442-R446 VanDerWaalsContact OG-NH1 3.09Å; S442-R446 PolarHBondContact OG-NH2 3.45Å; H443-R446 PolarHBondContact O-N 3.48Å; I444-R446 VanDerWaalsContact C-N 3.33Å; I444-R446 PolarHBondContact O-N 3.29Å; R446-E448 VanDerWaalsContact C-N 3.31Å; R446-E448 HydrophobicContact CB-CG 3.92Å; R446-E448 WeakPolarHBondContact CB-OE1 3.29Å; R446-E448 WeakPolarHBondContact CD-OE1 3Å; R446-E448 PolarHBondContact O-N 3.4Å
447	G	41.5	Very low	39.2	Very low	50 Å²	50	102.8 Å²	102.8	52%	0.515	50%	0.501	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.7	26.3	178.7	0	0	0	0	0	114	H443 I444 V445 H449	H443-G447 PolarHBondContact O-N 3.25Å; I444-G447 PolarHBondContact O-N 3.15Å; I444-G447 VanDerWaalsContact O-N 3.14Å; V445-G447 VanDerWaalsContact C-N 3.25Å; V445-G447 PolarHBondContact O-N 3.25Å; G447-H449 PolarHBondContact O-N 2.94Å
448	E	38.6	Very low	39	Very low	112 Å²	112	97.7 Å²	97.7	52%	0.523	49%	0.489	S	S	.	.			trans	-74.8	47.8	-178.1	-69.3	169.9	-160.5	0	0	112.1	H443 R446	H443-E448 PolarHBondContact CE1-O 3.13Å; R446-E448 VanDerWaalsContact C-N 3.31Å; R446-E448 HydrophobicContact CB-CG 3.92Å; R446-E448 WeakPolarHBondContact CB-OE1 3.29Å; R446-E448 WeakPolarHBondContact CD-OE1 3Å; R446-E448 PolarHBondContact O-N 3.4Å
449	H	38.8	Very low	38.6	Very low	29 Å²	29	90 Å²	90	13%	0.134	47%	0.467	C	S	.	.			trans	-120	94	-177.4	-61.1	-53.4	0	0	0	110.5	C427 C430 H443 G447 F451	C427-H449 VanDerWaalsContact SG-CE1 3.59Å; C430-H449 VanDerWaalsContact SG-CE1 3.53Å; C430-H449 PolarHBondContact SG-ND1 2.69Å; H443-H449 AromaticContact CE1-CE1 3.64Å; H443-H449 AromaticContact CE1-ND1 3.89Å; H443-H449 AromaticContact ND1-CE1 3.58Å; G447-H449 PolarHBondContact O-N 2.94Å; H449-F451 PolarHBondContact O-N 3.42Å
450	T	30.6	Very low	38.3	Very low	127 Å²	127	91.1 Å²	91.1	78%	0.779	48%	0.475	S	S	*	.			trans	-75.1	109.1	169.5	47.6	0	0	0	0	110.3
451	F	26.1	Very low	37.8	Very low	182 Å²	182	95.4 Å²	95.4	80%	0.798	50%	0.501	S	S	*	.			trans	-69.9	135.7	165.5	-72.9	-97.1	0	0	0	109.7	H449	H449-F451 PolarHBondContact O-N 3.42Å
452	H	25.2	Very low	37.5	Very low	249 Å²	249	98.2 Å²	98.2	100%	1.153	51%	0.505	S	S	*	.			trans	-136.9	0	179.5	-118.5	-45.6	0	0	0	111.3

Retrieved 452 of 452 residues in 177.1 ms (Link to these results)

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