A0A087YE87_POEFO Loading...

Calcium uptake protein 1, mitochondrial

AlphaFold DB , UniProt , Accession A0A087YE87, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 484 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.4	Very low	36.1	Very low	226 Å²	226	155.3 Å²	155.3	100%	1.113	82%	0.815	S	S	*	*				0	136.2	0	-69.3	-175.4	-160.9	0	0	108.3
2	F	30.1	Very low	36.3	Very low	193 Å²	193	150.4 Å²	150.4	85%	0.846	80%	0.796	S	S	*	*			trans	63.6	103.3	-179.9	-58.3	-85.3	0	0	0	114.2
3	R	33	Very low	36.4	Very low	241 Å²	241	143.5 Å²	143.5	91%	0.909	78%	0.782	S	S	*	*				-156.7	109.7	61.9	-71.8	178.1	172.8	-174.5	-2.8	110.4
4	L	36	Very low	36.5	Very low	172 Å²	172	143.6 Å²	143.6	90%	0.901	78%	0.781	S	S	*	*			trans	-148.5	38.4	171.8	-115.3	159.5	0	0	0	110.6
5	R	36	Very low	36.7	Very low	230 Å²	230	139.8 Å²	139.8	87%	0.868	76%	0.764	S	S	*	*			trans	-131.7	36.2	-174.1	-88	-168.5	175.1	178.4	-0.7	114.5
6	A	38.1	Very low	36.7	Very low	93 Å²	93	141.4 Å²	141.4	77%	0.769	77%	0.765	S	S	*	*	S	Bend	trans	-122.6	6.8	175	0	0	0	0	0	114.5
7	L	36.1	Very low	36.7	Very low	171 Å²	171	141.8 Å²	141.8	90%	0.895	77%	0.765	S	S	*	*	S	Bend	trans	-113.2	10.8	179.7	-76.6	169.5	0	0	0	114.3
8	S	38.3	Very low	36.7	Very low	85 Å²	85	138 Å²	138	59%	0.594	75%	0.751	S	S	*	*	S	Bend	trans	-110.3	12.4	-179.6	63	0	0	0	0	114.7
9	A	36.6	Very low	36.6	Very low	87 Å²	87	142.9 Å²	142.9	72%	0.719	76%	0.758	S	S	*	*	S	Bend	trans	-114.5	-5.8	-175.6	0	0	0	0	0	115
10	V	38.3	Very low	36.5	Very low	128 Å²	128	147.3 Å²	147.3	78%	0.776	76%	0.764	S	S	*	*	S	Bend	trans	-100.8	-14.2	177.1	-178.8	0	0	0	0	112.2
11	S	37.8	Very low	36.6	Very low	82 Å²	82	145.5 Å²	145.5	57%	0.573	76%	0.763	S	S	*	*	S	Bend	trans	-90.3	1.6	-179.7	52.1	0	0	0	0	115.4
12	V	38.9	Very low	36.6	Very low	97 Å²	97	144.7 Å²	144.7	59%	0.588	75%	0.748	S	S	*	*	S	Bend	trans	-109.4	-6.5	-177.7	-176.8	0	0	0	0	113.3
13	G	38	Very low	36.9	Very low	60 Å²	60	144.7 Å²	144.7	62%	0.619	75%	0.751	S	S	*	*	S	Bend	trans	-87.4	-14.6	177.5	0	0	0	0	0	115.9
14	L	37.4	Very low	36.7	Very low	145 Å²	145	138.8 Å²	138.8	76%	0.759	75%	0.747	S	S	*	*	S	Bend	trans	-104.1	-3.1	-173	-83.5	161.2	0	0	0	114.6
15	T	39.2	Very low	36.5	Very low	87 Å²	87	133.8 Å²	133.8	53%	0.534	74%	0.736	S	S	.	*	S	Bend	trans	-102.2	1.3	-177.9	44.2	0	0	0	0	114.4
16	Q	36.8	Very low	36.4	Very low	165 Å²	165	127.7 Å²	127.7	77%	0.771	74%	0.735	S	S	*	*	S	Bend	trans	-103.4	-3.5	176.4	-82.3	-176.6	-23.4	0	0	115.3
17	L	36.4	Very low	36.2	Very low	148 Å²	148	128 Å²	128	78%	0.775	74%	0.738	S	S	*	*	S	Bend	trans	-101.1	-11.4	174.1	-83.5	159.1	0	0	0	114.1
18	S	36.5	Very low	36.1	Very low	74 Å²	74	125 Å²	125	52%	0.517	73%	0.731	S	S	.	*	S	Bend	trans	-88.8	-11.1	178.7	50.9	0	0	0	0	114.5
19	R	35.3	Very low	36.4	Very low	231 Å²	231	128 Å²	128	87%	0.872	75%	0.746	S	S	*	*	S	Bend	trans	-94.8	-1.6	180	-82.6	-174.8	176.3	180	-0.4	115.6
20	R	35.3	Very low	36.8	Very low	231 Å²	231	129.3 Å²	129.3	87%	0.872	75%	0.75	S	S	*	*	S	Bend	trans	-107	0.4	-178.9	-118.8	178	-175.4	171.6	0.8	115.7
21	C	38.4	Very low	36.9	Very low	110 Å²	110	125.7 Å²	125.7	74%	0.743	74%	0.738	S	S	*	*	S	Bend	trans	-113.8	10	-178.9	-64.1	0	0	0	0	114.6
22	Y	36.1	Very low	37.2	Very low	208 Å²	208	133 Å²	133	82%	0.816	75%	0.753	S	S	*	*	S	Bend	trans	-106.5	10.2	-179.8	-92.1	-77.5	0	0	0	115.3
23	H	35.9	Very low	37.3	Very low	193 Å²	193	139.4 Å²	139.4	89%	0.894	77%	0.767	S	S	*	*	S	Bend	trans	-131.5	81.4	167.1	-79.4	-47.9	0	0	0	110.9
24	S	30.1	Very low	37.4	Very low	118 Å²	118	147.4 Å²	147.4	83%	0.825	78%	0.778	S	S	*	*			trans	-163.5	115.3	141	-169.2	0	0	0	0	107.9
25	G	30	Very low	37.6	Very low	66 Å²	66	147.3 Å²	147.3	68%	0.68	78%	0.778	S	S	*	*			trans	-70.5	166.1	171	0	0	0	0	0	112.2
26	A	34.3	Very low	37.6	Very low	102 Å²	102	150.6 Å²	150.6	84%	0.843	79%	0.789	S	S	*	*			trans	78.2	124.3	158.1	0	0	0	0	0	119.7
27	A	33.8	Very low	37.6	Very low	101 Å²	101	149.2 Å²	149.2	84%	0.835	79%	0.786	S	S	*	*			trans	90.6	131.8	139.7	0	0	0	0	0	121.1
28	S	35.2	Very low	37.7	Very low	107 Å²	107	145.9 Å²	145.9	75%	0.748	78%	0.78	S	S	*	*			trans	94.4	106.9	147	-161.9	0	0	0	0	119.5	S30	S28-S30 PolarHBondContact O-N 2.97Å; S28-S30 VanDerWaalsContact O-N 3.12Å
29	T	45.1	Very low	37.9	Very low	148 Å²	148	145.9 Å²	145.9	91%	0.908	79%	0.785	S	S	*	*	S	Bend	trans	-66.8	84.9	164.7	47.4	0	0	0	0	111.5
30	S	43.1	Very low	38	Very low	115 Å²	115	142.1 Å²	142.1	80%	0.804	78%	0.781	S	S	*	*			trans	-159.7	30.7	163.9	-156.3	0	0	0	0	114.1	S28	S28-S30 PolarHBondContact O-N 2.97Å; S28-S30 VanDerWaalsContact O-N 3.12Å
31	G	41.1	Very low	38.1	Very low	51 Å²	51	135 Å²	135	53%	0.526	77%	0.772	S	S	.	*			trans	-109.6	-8.2	-177	0	0	0	0	0	115.9	R33	G31-R33 PolarHBondContact O-N 3.24Å
32	R	43.3	Very low	38.1	Very low	236 Å²	236	133 Å²	133	89%	0.891	77%	0.769	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.4	-10.5	-163.3	-126	175.8	-176.8	-179.1	0.2	115.7
33	R	41	Very low	38.3	Very low	232 Å²	232	129.2 Å²	129.2	88%	0.875	77%	0.768	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.4	-11.3	-179.8	-81.4	-175.9	177	-179.3	-0.5	115.3	G31	G31-R33 PolarHBondContact O-N 3.24Å
34	R	41.8	Very low	38.5	Very low	228 Å²	228	126.5 Å²	126.5	86%	0.86	77%	0.765	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.4	-13.9	177	-75.2	-176.2	-178.3	173.4	1	114.5
35	L	40.5	Very low	39.1	Very low	143 Å²	143	124.4 Å²	124.4	75%	0.749	76%	0.762	S	S	*	*	S	Bend	trans	-83.8	-18.7	176.3	-115.7	109.6	0	0	0	114.4
36	M	38.5	Very low	39.5	Very low	155 Å²	155	125.7 Å²	125.7	76%	0.764	77%	0.766	S	S	*	*	S	Bend	trans	-76.7	-21.3	176.4	-90.3	-123.8	176.3	0	0	113.8
37	L	37.5	Very low	39.9	Very low	136 Å²	136	126.2 Å²	126.2	71%	0.712	76%	0.764	S	S	*	*	S	Bend	trans	-85.7	-17.4	179	-90.7	154.5	0	0	0	113.7
38	A	39.7	Very low	40.2	Very low	78 Å²	78	125.3 Å²	125.3	65%	0.645	76%	0.756	S	S	*	*	S	Bend	trans	-87	-14.7	176.8	0	0	0	0	0	113.7
39	A	39.2	Very low	40.4	Very low	75 Å²	75	124.7 Å²	124.7	62%	0.62	75%	0.752	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.9	-8.6	177.1	0	0	0	0	0	113.8
40	L	37.5	Very low	40.3	Very low	152 Å²	152	121.6 Å²	121.6	80%	0.796	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97	0.5	179.5	-81.9	164.2	0	0	0	114.3
41	A	38.7	Very low	40.2	Very low	82 Å²	82	118.5 Å²	118.5	68%	0.678	73%	0.728	S	S	*	*	S	Bend	trans	-112.7	15.3	179.8	0	0	0	0	0	114.2
42	G	37	Very low	40.3	Very low	67 Å²	67	122.5 Å²	122.5	69%	0.691	74%	0.736	S	S	*	*	S	Bend	trans	-122.5	14.7	-174.7	0	0	0	0	0	116
43	V	40.3	Very low	40.2	Very low	129 Å²	129	117.6 Å²	117.6	78%	0.782	73%	0.727	S	S	*	*	S	Bend	trans	-117.3	-6.1	179.3	-177.9	0	0	0	0	112.9	G45	V43-G45 PolarHBondContact O-N 3.1Å; V43-G45 VanDerWaalsContact O-N 3.17Å
44	T	41.3	Very low	40.2	Very low	136 Å²	136	116.3 Å²	116.3	83%	0.834	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.4	77.5	170.4	49.6	0	0	0	0	110.2
45	G	41.2	Very low	40	Very low	74 Å²	74	111.5 Å²	111.5	76%	0.763	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-173.9	14.3	179.8	0	0	0	0	0	117.6	V43	V43-G45 PolarHBondContact O-N 3.1Å; V43-G45 VanDerWaalsContact O-N 3.17Å
46	A	38.6	Very low	39.8	Very low	92 Å²	92	115.1 Å²	115.1	76%	0.76	72%	0.717	S	S	*	*	S	Bend	trans	-148.6	29.9	176.3	0	0	0	0	0	114
47	S	43.2	Very low	40	Very low	114 Å²	114	111.6 Å²	111.6	80%	0.797	71%	0.712	S	S	*	*	S	Bend	trans	-123.7	37.6	177.3	65.2	0	0	0	0	112.8
48	A	40.9	Very low	40	Very low	82 Å²	82	114.8 Å²	114.8	68%	0.678	72%	0.717	S	S	*	*	S	Bend	trans	-127.9	-4.8	179.1	0	0	0	0	0	114.9
49	S	38.3	Very low	40	Very low	94 Å²	94	115 Å²	115	66%	0.657	72%	0.718	S	S	*	*	S	Bend	trans	-107.6	-6.7	-177.2	45.9	0	0	0	0	115.1
50	A	43.1	Very low	39.9	Very low	83 Å²	83	119 Å²	119	69%	0.686	73%	0.729	S	S	*	*	S	Bend	trans	-88.6	-21.5	175.5	0	0	0	0	0	113.7
51	G	41.6	Very low	39.8	Very low	50 Å²	50	116 Å²	116	52%	0.515	73%	0.726	S	S	.	*	H	α-helix	trans	-81.2	-20.2	-178.5	0	0	0	0	0	115.2
52	L	42.6	Very low	39.5	Very low	135 Å²	135	115.1 Å²	115.1	71%	0.707	73%	0.725	S	S	*	*	H	α-helix	trans	-88.2	-11.3	-176.9	-78	162.3	0	0	0	114.1
53	L	41.9	Very low	39.2	Very low	133 Å²	133	118.5 Å²	118.5	70%	0.696	74%	0.735	S	S	*	*	H	α-helix	trans	-93.7	-20.4	175.4	-73.3	169.1	0	0	0	113.3
54	W	40.5	Very low	38.7	Very low	204 Å²	204	118 Å²	118	77%	0.773	74%	0.737	S	S	*	*	H	α-helix	trans	-80.2	-33.3	175.6	-98.9	38	0	0	0	113.2	R56 A57	W54-R56 VanDerWaalsContact C-N 3.29Å; W54-R56 PolarHBondContact O-N 3.03Å; W54-A57 PolarHBondContact O-N 3.13Å
55	N	39	Very low	38	Very low	128 Å²	128	118.3 Å²	118.3	68%	0.684	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.4	-11.6	179.6	-77.4	-12	0	0	0	114.5
56	R	36.4	Very low	37.3	Very low	219 Å²	219	124.2 Å²	124.2	83%	0.826	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94	-14.8	176.7	-151.4	172.2	-173.6	152.3	1.2	113.5	W54	W54-R56 VanDerWaalsContact C-N 3.29Å; W54-R56 PolarHBondContact O-N 3.03Å
57	A	41.7	Very low	36.7	Very low	80 Å²	80	128.8 Å²	128.8	66%	0.661	75%	0.752	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.1	-13.6	176.7	0	0	0	0	0	113.5	W54	W54-A57 PolarHBondContact O-N 3.13Å
58	Y	38.4	Very low	35.8	Very low	204 Å²	204	128.2 Å²	128.2	80%	0.8	75%	0.748	S	S	*	*	S	Bend	trans	-102.2	-3.4	177.3	-103.6	-84.3	0	0	0	114.4
59	A	39.3	Very low	35	Very low	82 Å²	82	133.5 Å²	133.5	68%	0.678	76%	0.759	S	S	*	*	S	Bend	trans	-93.1	-0.8	-177.9	0	0	0	0	0	114.4
60	D	35.8	Very low	34.3	Very low	160 Å²	160	140.6 Å²	140.6	86%	0.856	77%	0.771	S	S	*	*	S	Bend	trans	-119.8	19.8	-175.1	-123.5	-0	0	0	0	114.2
61	A	35.9	Very low	33.4	Very low	87 Å²	87	143.8 Å²	143.8	72%	0.719	78%	0.782	S	S	*	*			trans	-113.9	82.5	171.2	0	0	0	0	0	109.9
62	G	33.1	Very low	32.5	Very low	65 Å²	65	146.2 Å²	146.2	67%	0.67	80%	0.796	S	S	*	*			trans	-69.2	151.6	168.6	0	0	0	0	0	111.8
63	P	30.7	Very low	31.6	Very low	137 Å²	137	143.1 Å²	143.1	89%	0.89	80%	0.798	S	S	*	*			trans	-84	120.1	-175.9	32.9	-29.8	0	0	0	110.3
64	S	29.4	Very low	30.8	Very low	119 Å²	119	146.6 Å²	146.6	83%	0.832	81%	0.81	S	S	*	*			trans	-116.6	90.5	173.1	67.6	0	0	0	0	110.9
65	V	26.3	Very low	30	Very low	142 Å²	142	146 Å²	146	86%	0.861	82%	0.816	S	S	*	*			trans	-114.3	109.9	155.1	177.2	0	0	0	0	106.2
66	Q	26.1	Very low	29.4	Very low	199 Å²	199	144.8 Å²	144.8	93%	0.93	82%	0.823	S	S	*	*			trans	-133.4	138.7	159.8	-82.7	-169.9	-9.1	0	0	109.8
67	H	26.2	Very low	28.8	Very low	187 Å²	187	141.4 Å²	141.4	87%	0.866	82%	0.822	S	S	*	*			trans	-91.8	129.7	178.9	-133.3	-68.1	0	0	0	108.3
68	S	25.3	Very low	27.9	Very low	103 Å²	103	147.6 Å²	147.6	72%	0.72	83%	0.834	S	S	*	*			trans	-170.9	115.6	150.7	67.7	0	0	0	0	108.4
69	E	24.3	Very low	27.5	Very low	193 Å²	193	142.7 Å²	142.7	90%	0.902	83%	0.825	S	S	*	*				65.5	131.4	94.3	-76.6	-168.6	156.5	0	0	116
70	R	23.6	Very low	26.8	Very low	243 Å²	243	149.7 Å²	149.7	92%	0.917	83%	0.834	S	S	*	*			trans	-63.3	154	-175.4	-70.4	170.1	167.7	171.8	-5.1	112.6
71	V	23	Very low	26.3	Very low	150 Å²	150	148.8 Å²	148.8	91%	0.909	83%	0.829	S	S	*	*				179.4	155.1	114.3	156.5	0	0	0	0	110.1
72	A	23.9	Very low	25.8	Very low	100 Å²	100	149.3 Å²	149.3	83%	0.826	83%	0.834	S	S	*	*			trans	-66.8	167.2	-164.2	0	0	0	0	0	118.7
73	G	23.8	Very low	25.4	Very low	71 Å²	71	154.4 Å²	154.4	73%	0.732	85%	0.846	S	S	*	*			trans	149.5	94.3	149.4	0	0	0	0	0	117.6
74	E	25	Very low	25.2	Very low	205 Å²	205	152.3 Å²	152.3	96%	0.958	83%	0.834	S	S	*	*			trans	72.7	136.5	140.3	-68.3	177.6	164.7	0	0	124.3
75	E	23.1	Very low	25.1	Very low	193 Å²	193	156.3 Å²	156.3	90%	0.902	84%	0.84	S	S	*	*			trans	-70.8	153.3	-167.8	-61.6	173.7	158.5	0	0	117
76	A	26.2	Very low	25.1	Very low	101 Å²	101	157.8 Å²	157.8	84%	0.835	84%	0.835	S	S	*	*				178.4	102.3	118.3	0	0	0	0	0	113.6
77	D	24.3	Very low	25.1	Very low	148 Å²	148	153.8 Å²	153.8	79%	0.791	83%	0.829	S	S	*	*			trans	42.2	116.5	135.9	-114.2	-5.8	0	0	0	124.2
78	F	23.4	Very low	25.1	Very low	210 Å²	210	150.6 Å²	150.6	92%	0.921	82%	0.822	S	S	*	*				-158.9	120.4	127.7	-153.3	-100.4	0	0	0	111.5
79	V	28.8	Very low	25.2	Very low	102 Å²	102	154.1 Å²	154.1	62%	0.618	83%	0.827	S	S	*	*			trans	-84	138.7	-171.5	171.8	0	0	0	0	112.9
80	R	25.5	Very low	25.3	Very low	228 Å²	228	149.8 Å²	149.8	86%	0.86	82%	0.818	S	S	*	*			trans	-166.5	112.9	135.5	-115.1	170.8	154.6	152.9	-4.5	114.8
81	D	24.6	Very low	25.6	Very low	141 Å²	141	143.9 Å²	143.9	75%	0.754	81%	0.814	S	S	*	*			trans	57.1	82	150.8	-59	-29.4	0	0	0	120.1
82	A	24.4	Very low	25.8	Very low	99 Å²	99	142 Å²	142	82%	0.818	81%	0.808	S	S	*	*			trans	-123.5	99.4	147.3	0	0	0	0	0	108.1	S84	A82-S84 PolarHBondContact O-N 3.5Å
83	D	25.8	Very low	26	Very low	172 Å²	172	140.6 Å²	140.6	92%	0.92	80%	0.803	S	S	*	*			trans	-69.6	130.4	175.1	-102.6	-29.5	0	0	0	111
84	S	26.6	Very low	26	Very low	93 Å²	93	145 Å²	145	65%	0.65	81%	0.81	S	S	*	*			trans	-85.4	116.5	-165.3	161.8	0	0	0	0	111.5	A82 K86	A82-S84 PolarHBondContact O-N 3.5Å; S84-K86 VanDerWaalsContact C-N 3.26Å; S84-K86 PolarHBondContact O-N 3.09Å
85	E	28	Very low	26.2	Very low	203 Å²	203	144.8 Å²	144.8	95%	0.949	81%	0.809	S	S	*	*			trans	-72.1	83.3	159.7	-73.8	-167.1	163.5	0	0	109.6
86	K	25.5	Very low	26.3	Very low	172 Å²	172	138.7 Å²	138.7	75%	0.748	80%	0.798	S	S	*	*			trans	-105.7	90.6	163	-157.7	177.2	-171.6	-179.6	0	107.2	S84 V88	S84-K86 VanDerWaalsContact C-N 3.26Å; S84-K86 PolarHBondContact O-N 3.09Å; K86-V88 PolarHBondContact O-N 3.12Å
87	S	26.6	Very low	26.5	Very low	115 Å²	115	141.7 Å²	141.7	80%	0.804	80%	0.8	S	S	*	*			trans	-67.9	96.2	171.3	44.1	0	0	0	0	109.2	E89	S87-E89 PolarHBondContact O-N 3.41Å
88	V	26.5	Very low	26.7	Very low	121 Å²	121	143.1 Å²	143.1	73%	0.733	80%	0.802	S	S	*	*			trans	-83.6	93.4	162.7	-165.9	0	0	0	0	106	K86 S90	K86-V88 PolarHBondContact O-N 3.12Å; V88-S90 PolarHBondContact O-N 3.29Å
89	E	27.4	Very low	27	Very low	177 Å²	177	142.2 Å²	142.2	83%	0.827	80%	0.801	S	S	*	*			trans	-76.9	94.5	163.2	-81.2	-177	167	0	0	106.9	S87 S91	S87-E89 PolarHBondContact O-N 3.41Å; E89-S91 PolarHBondContact O-N 3Å
90	S	24.5	Very low	27.2	Very low	102 Å²	102	141.1 Å²	141.1	71%	0.713	81%	0.81	S	S	*	*			trans	-69.6	109.1	160.7	57.6	0	0	0	0	107.8	V88 S92	V88-S90 PolarHBondContact O-N 3.29Å; S90-S92 PolarHBondContact O-N 3.35Å
91	S	31.3	Very low	27.5	Very low	118 Å²	118	139 Å²	139	83%	0.825	81%	0.807	S	S	*	*			trans	-54.7	113.4	164.7	177	0	0	0	0	109.9	E89	E89-S91 PolarHBondContact O-N 3Å
92	S	26.2	Very low	28	Very low	111 Å²	111	142.3 Å²	142.3	78%	0.776	82%	0.815	S	S	*	*			trans	-115.5	111	154.3	59.3	0	0	0	0	106.3	S90	S90-S92 PolarHBondContact O-N 3.35Å
93	G	28.1	Very low	28.8	Very low	71 Å²	71	147 Å²	147	73%	0.732	82%	0.816	S	S	*	*			trans	-61	141.6	-174.8	0	0	0	0	0	112.9
94	D	24.9	Very low	30	Very low	162 Å²	162	146.1 Å²	146.1	87%	0.866	80%	0.804	S	S	*	*			trans	-138.7	103.7	147.9	-164.5	37	0	0	0	105.1	G96	D94-G96 PolarHBondContact O-N 3.46Å
95	E	28.9	Very low	31.1	Very low	201 Å²	201	147.5 Å²	147.5	94%	0.939	81%	0.811	S	S	*	*			trans	-74.9	111.7	172.8	-73.1	-174.1	162.5	0	0	107.7
96	G	25.9	Very low	32.4	Very low	66 Å²	66	148.9 Å²	148.9	68%	0.68	81%	0.808	S	S	*	*			trans	-135.6	103.9	165.4	0	0	0	0	0	107.8	D94 E98	D94-G96 PolarHBondContact O-N 3.46Å; G96-E98 PolarHBondContact O-N 2.98Å
97	D	29.6	Very low	34.3	Very low	163 Å²	163	142.9 Å²	142.9	87%	0.872	79%	0.788	S	S	*	*			trans	-53.4	116.1	173.2	-88.5	-37.4	0	0	0	111.1
98	E	28.3	Very low	37.2	Very low	179 Å²	179	138.9 Å²	138.9	84%	0.836	77%	0.765	S	S	*	*			trans	-131.9	95.9	151.4	-81.3	-161.7	168.2	0	0	108.4	G96	G96-E98 PolarHBondContact O-N 2.98Å
99	E	29.1	Very low	40	Very low	190 Å²	190	140.9 Å²	140.9	89%	0.888	76%	0.763	S	S	*	*			trans	-59.8	138.5	167.4	-71.1	-172.3	138.2	0	0	111
100	G	33	Very low	43	Very low	79 Å²	79	140.6 Å²	140.6	81%	0.814	76%	0.755	S	S	*	*			trans	106.3	3.2	147.3	0	0	0	0	0	120.1
101	K	33.1	Very low	46	Very low	183 Å²	183	137.7 Å²	137.7	80%	0.796	73%	0.732	S	S	*	*			trans	-101.3	106.7	170.9	-77.1	178.5	-178.7	166.4	0	111.8	K103	K101-K103 VanDerWaalsContact C-N 3.31Å; K101-K103 PolarHBondContact O-N 3.21Å
102	K	33.7	Very low	48.7	Very low	212 Å²	212	137.7 Å²	137.7	92%	0.922	71%	0.713	S	S	*	*			trans	-56.1	92.5	166.2	-76.1	-178.6	179.8	173.2	0	109.1	K104	K102-K104 PolarHBondContact O-N 3.14Å; K102-K104 VanDerWaalsContact O-N 3.13Å
103	K	41.7	Very low	51.7	Low	196 Å²	196	137.1 Å²	137.1	85%	0.852	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-57.2	118.6	169.4	-79.4	173.5	179	161.8	0	107.2	K101	K101-K103 VanDerWaalsContact C-N 3.31Å; K101-K103 PolarHBondContact O-N 3.21Å
104	K	51.1	Low	54.7	Low	154 Å²	154	135.5 Å²	135.5	67%	0.67	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-46.8	127.5	171.6	-71.8	-176.5	178.9	177.2	0	107.5	K102 R106 D324	K102-K104 PolarHBondContact O-N 3.14Å; K102-K104 VanDerWaalsContact O-N 3.13Å; K104-R106 PolarHBondContact O-N 3.03Å; K104-D324 IonicContact NZ-OD2 3.38Å; K104-D324 PolarHBondContact NZ-OD2 3.44Å
105	P	49.1	Very low	57.8	Low	122 Å²	122	129.7 Å²	129.7	79%	0.792	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-55.5	135.1	-174.7	20.2	-30.7	0	0	0	109.3	S107	P105-S107 PolarHBondContact O-N 2.96Å; P105-S107 VanDerWaalsContact O-N 3.13Å
106	R	56.3	Low	60.7	Low	233 Å²	233	124.5 Å²	124.5	88%	0.879	62%	0.617	S	S	*	*	P	Polyproline II helix	trans	-53.6	124.1	177.5	-81.4	-177.8	169.3	177.3	-1.2	107.9	K104 G108	K104-R106 PolarHBondContact O-N 3.03Å; R106-G108 PolarHBondContact O-N 3.45Å
107	S	65.8	Low	63.8	Low	46 Å²	46	125.7 Å²	125.7	32%	0.322	60%	0.601	S	S	.	*			trans	-51.4	115.7	-179.8	53.7	0	0	0	0	110.6	P105 R112	P105-S107 PolarHBondContact O-N 2.96Å; P105-S107 VanDerWaalsContact O-N 3.13Å; S107-R112 PolarHBondContact O-NE 3.31Å; S107-R112 PolarHBondContact O-NH2 3.43Å; S107-R112 VanDerWaalsContact O-NH2 3.12Å; S107-R112 PolarHBondContact OG-NE 2.91Å
108	G	86.3	Confident	66.9	Low	31 Å²	31	118 Å²	118	32%	0.32	56%	0.56	S	S	.	*			trans	-68.5	170.6	177.1	0	0	0	0	0	111.1	R106 R110 D111 R112	R106-G108 PolarHBondContact O-N 3.45Å; G108-R110 PolarHBondContact O-N 2.82Å; G108-D111 PolarHBondContact N-OD2 3.01Å; G108-D111 VanDerWaalsContact N-OD2 3.12Å; G108-D111 PolarHBondContact O-N 3.46Å; G108-R112 WeakPolarHBondContact O-CG 3.39Å; G108-R112 PolarHBondContact O-N 3.42Å; G108-R112 VanDerWaalsContact O-N 3.12Å
109	F	86.2	Confident	69.9	Low	162 Å²	162	111.4 Å²	111.4	71%	0.711	53%	0.53	S	S	*	.	H	α-helix	trans	-55.4	-43.4	174.9	175.3	-98.1	0	0	0	111.6	D111 R112 K113	F109-D111 PolarHBondContact O-N 3.16Å; F109-R112 PolarHBondContact O-N 3.17Å; F109-K113 HydrophobicContact CD1-CG 4.35Å; F109-K113 HydrophobicContact CE1-CG 3.9Å; F109-K113 HydrophobicContact CE2-CG 4.13Å; F109-K113 HydrophobicContact CZ-CD 4.24Å; F109-K113 HydrophobicContact CZ-CG 3.78Å; F109-K113 WeakPolarHBondContact O-CG 3.07Å; F109-K113 PolarHBondContact O-N 3.48Å
110	R	89.8	Confident	72.9	Confident	171 Å²	171	109.5 Å²	109.5	65%	0.645	52%	0.515	S	S	*	.	H	α-helix	trans	-56.2	-50.6	175.5	-179.2	-179.5	166.2	-170.7	-7	111.5	G108 R112 K113 V114	G108-R110 PolarHBondContact O-N 2.82Å; R110-R112 VanDerWaalsContact C-N 3.32Å; R110-R112 PolarHBondContact O-N 2.89Å; R110-K113 PolarHBondContact O-N 3.36Å; R110-V114 HydrophobicContact CG-CG2 4.36Å; R110-V114 VanDerWaalsContact O-CG2 3.31Å; R110-V114 WeakPolarHBondContact O-CG2 3.45Å; R110-V114 PolarHBondContact O-N 3.38Å
111	D	88	Confident	75.7	Confident	42 Å²	42	105.9 Å²	105.9	23%	0.225	48%	0.477	C	S	.	.	H	α-helix	trans	-61.8	-40.9	-177.8	-60.9	-41.5	0	0	0	112.3	G108 F109 K113 V114 M115 K164	G108-D111 PolarHBondContact N-OD2 3.01Å; G108-D111 VanDerWaalsContact N-OD2 3.12Å; G108-D111 PolarHBondContact O-N 3.46Å; F109-D111 PolarHBondContact O-N 3.16Å; D111-K113 VanDerWaalsContact C-N 3.35Å; D111-K113 PolarHBondContact O-N 2.89Å; D111-V114 PolarHBondContact O-N 2.94Å; D111-M115 WeakPolarHBondContact O-CG 3.44Å; D111-M115 PolarHBondContact O-N 3.23Å; D111-K164 IonicContact OD1-NZ 2.65Å; D111-K164 PolarHBondContact OD1-NZ 3.22Å
112	R	86.8	Confident	78.5	Confident	117 Å²	117	98.2 Å²	98.2	44%	0.442	44%	0.443	S	S	.	.	H	α-helix	trans	-62.7	-43.2	176.7	-65.7	177.8	-166	170.1	10.6	111.7	S107 G108 F109 R110 M115 E116	S107-R112 PolarHBondContact O-NE 3.31Å; S107-R112 PolarHBondContact O-NH2 3.43Å; S107-R112 VanDerWaalsContact O-NH2 3.12Å; S107-R112 PolarHBondContact OG-NE 2.91Å; G108-R112 WeakPolarHBondContact O-CG 3.39Å; G108-R112 PolarHBondContact O-N 3.42Å; G108-R112 VanDerWaalsContact O-N 3.12Å; F109-R112 PolarHBondContact O-N 3.17Å; R110-R112 VanDerWaalsContact C-N 3.32Å; R110-R112 PolarHBondContact O-N 2.89Å; R112-M115 HydrophobicContact CG-CE 4.17Å; R112-M115 PolarHBondContact O-N 3.3Å; R112-E116 WeakPolarHBondContact O-CG 3.29Å; R112-E116 PolarHBondContact O-N 2.86Å
113	K	89.6	Confident	81.1	Confident	100 Å²	100	90 Å²	90	44%	0.435	41%	0.414	S	S	.	.	H	α-helix	trans	-67.2	-36.5	177.4	-71.8	-70.8	163.6	-154.5	0	112.5	F109 R110 D111 E116 Y117	F109-K113 HydrophobicContact CD1-CG 4.35Å; F109-K113 HydrophobicContact CE1-CG 3.9Å; F109-K113 HydrophobicContact CE2-CG 4.13Å; F109-K113 HydrophobicContact CZ-CD 4.24Å; F109-K113 HydrophobicContact CZ-CG 3.78Å; F109-K113 WeakPolarHBondContact O-CG 3.07Å; F109-K113 PolarHBondContact O-N 3.48Å; R110-K113 PolarHBondContact O-N 3.36Å; D111-K113 VanDerWaalsContact C-N 3.35Å; D111-K113 PolarHBondContact O-N 2.89Å; K113-E116 IonicContact NZ-OE1 2.69Å; K113-E116 IonicContact NZ-OE2 2.87Å; K113-E116 PolarHBondContact NZ-OE2 3.07Å; K113-E116 PolarHBondContact O-N 3.43Å; K113-Y117 WeakPolarHBondContact O-CB 3.35Å; K113-Y117 PolarHBondContact O-N 3.44Å
114	V	91.9	Very high	83.4	Confident	36 Å²	36	88.1 Å²	88.1	22%	0.218	40%	0.403	C	S	.	.	H	α-helix	trans	-64.6	-47.7	173.2	174.2	0	0	0	0	110.4	R110 D111 E116 Y117 E118 K164	R110-V114 HydrophobicContact CG-CG2 4.36Å; R110-V114 VanDerWaalsContact O-CG2 3.31Å; R110-V114 WeakPolarHBondContact O-CG2 3.45Å; R110-V114 PolarHBondContact O-N 3.38Å; D111-V114 PolarHBondContact O-N 2.94Å; V114-E116 VanDerWaalsContact C-N 3.35Å; V114-E116 PolarHBondContact O-N 2.87Å; V114-Y117 WeakPolarHBondContact O-CA 3.37Å; V114-Y117 WeakPolarHBondContact O-CB 3.45Å; V114-Y117 PolarHBondContact O-N 3.4Å; V114-Y117 VanDerWaalsContact O-N 3.09Å; V114-E118 HydrophobicContact CG1-CG 4.35Å; V114-E118 WeakPolarHBondContact O-CG 3.42Å; V114-E118 PolarHBondContact O-N 2.85Å; V114-K164 HydrophobicContact CG1-CD 4.47Å; V114-K164 HydrophobicContact CG1-CG 3.96Å
115	M	89.8	Confident	85.3	Confident	41 Å²	41	81.9 Å²	81.9	20%	0.202	38%	0.379	C	S	.	.	H	α-helix	trans	-60.1	-41.8	176.5	-71.6	-176.9	-67.1	0	0	112.4	D111 R112 Y117 E118 N119 N162 K164	D111-M115 WeakPolarHBondContact O-CG 3.44Å; D111-M115 PolarHBondContact O-N 3.23Å; R112-M115 HydrophobicContact CG-CE 4.17Å; R112-M115 PolarHBondContact O-N 3.3Å; M115-Y117 VanDerWaalsContact C-N 3.33Å; M115-Y117 PolarHBondContact O-N 3.4Å; M115-E118 PolarHBondContact O-N 3.19Å; M115-N119 WeakPolarHBondContact O-CB 3.32Å; M115-N119 PolarHBondContact O-N 3.47Å; M115-N119 PolarHBondContact O-ND2 2.96Å; M115-N162 VanDerWaalsContact SD-O 3.35Å; M115-K164 HydrophobicContact CG-CB 4.13Å
116	E	89.2	Confident	87.3	Confident	92 Å²	92	79 Å²	79	43%	0.43	36%	0.359	S	S	.	.	H	α-helix	trans	-62.4	-38.5	173.9	-75.6	172.4	-170.2	0	0	112.4	R112 K113 V114 R120	R112-E116 WeakPolarHBondContact O-CG 3.29Å; R112-E116 PolarHBondContact O-N 2.86Å; K113-E116 IonicContact NZ-OE1 2.69Å; K113-E116 IonicContact NZ-OE2 2.87Å; K113-E116 PolarHBondContact NZ-OE2 3.07Å; K113-E116 PolarHBondContact O-N 3.43Å; V114-E116 VanDerWaalsContact C-N 3.35Å; V114-E116 PolarHBondContact O-N 2.87Å; E116-R120 WeakPolarHBondContact O-CG 3.38Å; E116-R120 PolarHBondContact O-N 3.36Å; E116-R120 PolarHBondContact O-NE 3.39Å
117	Y	92.3	Very high	89	Confident	90 Å²	90	67.9 Å²	67.9	35%	0.353	32%	0.317	S	S	.	.	H	α-helix	trans	-65.5	-46.5	174.4	171.1	-107.4	0	0	0	111.9	K113 V114 M115 N119 R120 I121 Y133	K113-Y117 WeakPolarHBondContact O-CB 3.35Å; K113-Y117 PolarHBondContact O-N 3.44Å; V114-Y117 WeakPolarHBondContact O-CA 3.37Å; V114-Y117 WeakPolarHBondContact O-CB 3.45Å; V114-Y117 PolarHBondContact O-N 3.4Å; V114-Y117 VanDerWaalsContact O-N 3.09Å; M115-Y117 VanDerWaalsContact C-N 3.33Å; M115-Y117 PolarHBondContact O-N 3.4Å; Y117-N119 PolarHBondContact O-N 3.41Å; Y117-R120 WeakPolarHBondContact O-CB 3.47Å; Y117-R120 PolarHBondContact O-N 3.49Å; Y117-R120 VanDerWaalsContact O-N 3.12Å; Y117-I121 HydrophobicContact CD1-CD1 3.8Å; Y117-I121 HydrophobicContact CE1-CD1 3.21Å; Y117-I121 HydrophobicContact CE1-CG1 4.24Å; Y117-I121 HydrophobicContact CE2-CD1 4.13Å; Y117-I121 HydrophobicContact CE2-CG1 4.34Å; Y117-I121 HydrophobicContact CG-CD1 4.47Å; Y117-I121 PolarHBondContact O-N 3.1Å; Y117-Y133 AromaticContact CE1-CE2 3.87Å; Y117-Y133 HydrophobicContact CE1-CE2 3.87Å
118	E	94	Very high	90.2	Very high	2 Å²	2	66 Å²	66	1%	0.009	30%	0.303	C	S	.	.	H	α-helix	trans	-65.2	-39.4	179.2	-71.4	-178	179.7	0	0	112.3	V114 M115 R120 I121 R122 Y133 F134 K164 Q165	V114-E118 HydrophobicContact CG1-CG 4.35Å; V114-E118 WeakPolarHBondContact O-CG 3.42Å; V114-E118 PolarHBondContact O-N 2.85Å; M115-E118 PolarHBondContact O-N 3.19Å; E118-R120 VanDerWaalsContact C-N 3.26Å; E118-R120 PolarHBondContact O-N 2.89Å; E118-I121 WeakPolarHBondContact O-CA 3.33Å; E118-I121 WeakPolarHBondContact O-CB 3.36Å; E118-I121 PolarHBondContact O-N 3.3Å; E118-R122 WeakPolarHBondContact O-CG 3.31Å; E118-R122 PolarHBondContact O-N 3.48Å; E118-Y133 HydrophobicContact CG-CE1 3.65Å; E118-Y133 VanDerWaalsContact CG-OH 3.31Å; E118-Y133 WeakPolarHBondContact CG-OH 3.45Å; E118-Y133 WeakPolarHBondContact OE1-CE1 3.11Å; E118-Y133 PolarHBondContact OE1-OH 2.92Å; E118-F134 HydrophobicContact CB-CZ 4.34Å; E118-K164 VanDerWaalsContact OE2-CA 3.24Å; E118-K164 WeakPolarHBondContact OE2-CA 3.49Å; E118-Q165 WeakPolarHBondContact OE1-CB 3.29Å; E118-Q165 PolarHBondContact OE1-N 2.89Å; E118-Q165 PolarHBondContact OE2-N 2.87Å; E118-Q165 VanDerWaalsContact OE2-N 3.12Å
119	N	91.4	Very high	90.5	Very high	40 Å²	40	67.7 Å²	67.7	21%	0.214	30%	0.302	C	S	.	.	H	α-helix	trans	-58.9	-38.6	172.3	-73.6	-17	0	0	0	112.3	M115 Y117 R122 A123 P161 N162	M115-N119 WeakPolarHBondContact O-CB 3.32Å; M115-N119 PolarHBondContact O-N 3.47Å; M115-N119 PolarHBondContact O-ND2 2.96Å; Y117-N119 PolarHBondContact O-N 3.41Å; N119-R122 PolarHBondContact OD1-NH1 3Å; N119-A123 WeakPolarHBondContact O-CB 3.34Å; N119-A123 PolarHBondContact O-N 3.49Å; N119-P161 WeakPolarHBondContact OD1-CA 3.05Å; N119-N162 PolarHBondContact ND2-OD1 3.44Å; N119-N162 PolarHBondContact OD1-N 3.21Å
120	R	91.3	Very high	90.9	Very high	150 Å²	150	60 Å²	60	57%	0.566	27%	0.269	S	S	*	.	H	α-helix	trans	-68.8	-35.2	174.1	-71.7	-178	-67.5	-179.1	2.3	112.1	E116 Y117 E118 Y124	E116-R120 WeakPolarHBondContact O-CG 3.38Å; E116-R120 PolarHBondContact O-N 3.36Å; E116-R120 PolarHBondContact O-NE 3.39Å; Y117-R120 WeakPolarHBondContact O-CB 3.47Å; Y117-R120 PolarHBondContact O-N 3.49Å; Y117-R120 VanDerWaalsContact O-N 3.12Å; E118-R120 VanDerWaalsContact C-N 3.26Å; E118-R120 PolarHBondContact O-N 2.89Å; R120-Y124 PolarHBondContact O-N 3.06Å
121	I	92.4	Very high	91.2	Very high	3 Å²	3	51.9 Å²	51.9	2%	0.015	24%	0.238	C	C	.	.	H	α-helix	trans	-60.1	-55	172.5	-71.5	167.4	0	0	0	110	Y117 E118 A123 Y124 S125 I130 Y133 F134	Y117-I121 HydrophobicContact CD1-CD1 3.8Å; Y117-I121 HydrophobicContact CE1-CD1 3.21Å; Y117-I121 HydrophobicContact CE1-CG1 4.24Å; Y117-I121 HydrophobicContact CE2-CD1 4.13Å; Y117-I121 HydrophobicContact CE2-CG1 4.34Å; Y117-I121 HydrophobicContact CG-CD1 4.47Å; Y117-I121 PolarHBondContact O-N 3.1Å; E118-I121 WeakPolarHBondContact O-CA 3.33Å; E118-I121 WeakPolarHBondContact O-CB 3.36Å; E118-I121 PolarHBondContact O-N 3.3Å; I121-A123 VanDerWaalsContact C-N 3.27Å; I121-A123 PolarHBondContact O-N 3.38Å; I121-Y124 PolarHBondContact O-N 3.32Å; I121-S125 WeakPolarHBondContact CA-OG 3.45Å; I121-S125 WeakPolarHBondContact O-CB 3.46Å; I121-S125 PolarHBondContact O-N 3.21Å; I121-S125 PolarHBondContact O-OG 2.9Å; I121-I130 HydrophobicContact CG2-CG1 3.93Å; I121-Y133 HydrophobicContact CD1-CD1 4.37Å; I121-Y133 HydrophobicContact CD1-CD2 3.68Å; I121-Y133 HydrophobicContact CD1-CE1 4.37Å; I121-Y133 HydrophobicContact CD1-CE2 3.68Å; I121-Y133 HydrophobicContact CD1-CG 4.06Å; I121-F134 HydrophobicContact CG2-CE2 4.32Å
122	R	92.6	Very high	91.5	Very high	22 Å²	22	51.6 Å²	51.6	8%	0.083	23%	0.234	C	C	.	.	H	α-helix	trans	-55.6	-42	-179.5	-64.8	-178	-176	111	1.6	112.4	E118 N119 F134 R157 S158 T160 E163 K457	E118-R122 WeakPolarHBondContact O-CG 3.31Å; E118-R122 PolarHBondContact O-N 3.48Å; N119-R122 PolarHBondContact OD1-NH1 3Å; R122-F134 HydrophobicContact CG-CE2 3.97Å; R122-F134 HydrophobicContact CG-CZ 4.02Å; R122-R157 VanDerWaalsContact CZ-O 3.27Å; R122-R157 PolarHBondContact NE-O 3.2Å; R122-R157 PolarHBondContact NH2-O 3.05Å; R122-S158 WeakPolarHBondContact CD-O 3.38Å; R122-S158 VanDerWaalsContact CG-O 3.32Å; R122-S158 WeakPolarHBondContact CG-O 3.44Å; R122-T160 PolarHBondContact NE-O 3.19Å; R122-T160 VanDerWaalsContact NE-O 3.09Å; R122-T160 PolarHBondContact NH1-O 3.1Å; R122-T160 PolarHBondContact NH2-O 2.85Å; R122-E163 PolarHBondContact NH1-O 3Å; R122-E163 PolarHBondContact NH2-O 3.06Å; R122-K457 VanDerWaalsContact O-CE 3.31Å; R122-K457 WeakPolarHBondContact O-CE 3.4Å
123	A	88.7	Confident	91.9	Very high	39 Å²	39	46.9 Å²	46.9	32%	0.322	22%	0.216	S	C	.	.	H	α-helix	trans	-75.7	-39	-175.6	0	0	0	0	0	113.9	N119 I121 K457	N119-A123 WeakPolarHBondContact O-CB 3.34Å; N119-A123 PolarHBondContact O-N 3.49Å; I121-A123 VanDerWaalsContact C-N 3.27Å; I121-A123 PolarHBondContact O-N 3.38Å; A123-K457 VanDerWaalsContact O-CG 3.27Å; A123-K457 WeakPolarHBondContact O-CG 3.37Å
124	Y	89.5	Confident	92.2	Very high	158 Å²	158	42.1 Å²	42.1	62%	0.62	20%	0.195	S	C	*	.	H	α-helix	trans	-128.3	-13	-163.9	-55.2	-62.3	0	0	0	115.6	R120 I121	R120-Y124 PolarHBondContact O-N 3.06Å; I121-Y124 PolarHBondContact O-N 3.32Å
125	S	91.3	Very high	92.4	Very high	22 Å²	22	40.4 Å²	40.4	15%	0.154	19%	0.185	C	C	.	.	S	Bend	trans	-78.1	163.6	179.6	-64.7	0	0	0	0	112.4	I121	I121-S125 WeakPolarHBondContact CA-OG 3.45Å; I121-S125 WeakPolarHBondContact O-CB 3.46Å; I121-S125 PolarHBondContact O-N 3.21Å; I121-S125 PolarHBondContact O-OG 2.9Å
126	T	91.3	Very high	92.5	Very high	62 Å²	62	38.9 Å²	38.9	38%	0.38	18%	0.178	S	C	.	.			trans	-66.5	148.9	172.4	55.3	0	0	0	0	110.6	D128 K129 I130	T126-D128 PolarHBondContact O-N 3.09Å; T126-K129 PolarHBondContact O-N 3.27Å; T126-K129 PolarHBondContact OG1-N 2.96Å; T126-I130 WeakPolarHBondContact O-CG1 3.23Å; T126-I130 PolarHBondContact O-N 3.4Å
127	P	91.2	Very high	92.6	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-53.3	-39	175.3	-17.8	21.2	0	0	0	113.3	K129 I130 F131 Y216 I217 M263 H267	P127-K129 VanDerWaalsContact C-N 3.35Å; P127-K129 PolarHBondContact O-N 2.71Å; P127-I130 PolarHBondContact O-N 2.98Å; P127-F131 WeakPolarHBondContact O-CB 3.44Å; P127-F131 PolarHBondContact O-N 2.94Å; P127-Y216 HydrophobicContact CB-CE1 4.39Å; P127-I217 HydrophobicContact CB-CD1 3.5Å; P127-I217 VanDerWaalsContact CB-CD1 3.5Å; P127-I217 HydrophobicContact CG-CD1 4.23Å; P127-M263 HydrophobicContact CB-CE 4.22Å; P127-M263 HydrophobicContact CG-CB 4.41Å; P127-M263 HydrophobicContact CG-CE 3.82Å; P127-M263 WeakPolarHBondContact CG-O 3.49Å; P127-H267 HydrophobicContact CG-CB 4.07Å
128	D	91.4	Very high	92.5	Very high	5 Å²	5	33.8 Å²	33.8	3%	0.027	16%	0.156	C	C	.	.	H	α-helix	trans	-55.5	-46.3	174.5	169.8	63.1	0	0	0	112.3	T126 F131 R132 F213 T273 N275	T126-D128 PolarHBondContact O-N 3.09Å; D128-F131 PolarHBondContact O-N 3.08Å; D128-R132 WeakPolarHBondContact O-CG 3.37Å; D128-R132 PolarHBondContact O-N 3.3Å; D128-R132 IonicContact OD2-NH1 3.27Å; D128-R132 PolarHBondContact OD2-NH1 3.35Å; D128-F213 HydrophobicContact CB-CZ 4.45Å; D128-T273 PolarHBondContact OD1-OG1 2.73Å; D128-T273 VanDerWaalsContact OD1-OG1 3.11Å; D128-N275 VanDerWaalsContact OD1-CB 3.28Å; D128-N275 WeakPolarHBondContact OD1-CB 3.39Å; D128-N275 PolarHBondContact OD1-ND2 2.75Å
129	K	93.2	Very high	92.1	Very high	67 Å²	67	33.9 Å²	33.9	29%	0.291	16%	0.157	S	C	.	.	H	α-helix	trans	-70.6	-38.9	179.2	-176.9	176.1	179.6	-176.2	0	111.7	T126 P127 F131 Y133 L171	T126-K129 PolarHBondContact O-N 3.27Å; T126-K129 PolarHBondContact OG1-N 2.96Å; P127-K129 VanDerWaalsContact C-N 3.35Å; P127-K129 PolarHBondContact O-N 2.71Å; K129-F131 VanDerWaalsContact C-N 3.32Å; K129-Y133 VanDerWaalsContact O-CB 3.22Å; K129-Y133 WeakPolarHBondContact O-CB 3.45Å; K129-Y133 PolarHBondContact O-N 3.33Å; K129-L171 HydrophobicContact CG-CD1 4.41Å
130	I	94.6	Very high	91.8	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.01	16%	0.156	C	C	.	.	H	α-helix	trans	-61.4	-47	176	-62.8	168.5	0	0	0	108.9	I121 T126 P127 Y133 F134 Y216 M263	I121-I130 HydrophobicContact CG2-CG1 3.93Å; T126-I130 WeakPolarHBondContact O-CG1 3.23Å; T126-I130 PolarHBondContact O-N 3.4Å; P127-I130 PolarHBondContact O-N 2.98Å; I130-Y133 PolarHBondContact O-N 2.94Å; I130-F134 HydrophobicContact CG2-CD2 3.8Å; I130-F134 HydrophobicContact CG2-CE2 4.09Å; I130-F134 WeakPolarHBondContact O-CD2 3.25Å; I130-F134 PolarHBondContact O-N 3.49Å; I130-F134 VanDerWaalsContact O-N 3.11Å; I130-Y216 VanDerWaalsContact CG2-OH 3.31Å; I130-Y216 WeakPolarHBondContact CG2-OH 3.49Å; I130-M263 HydrophobicContact CD1-CE 3.9Å
131	F	94.9	Very high	91.1	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-57.2	-56.5	179.3	-178.2	-100.7	0	0	0	111.6	P127 D128 K129 Y133 F134 A135 V148 M150 F213 Y216	P127-F131 WeakPolarHBondContact O-CB 3.44Å; P127-F131 PolarHBondContact O-N 2.94Å; D128-F131 PolarHBondContact O-N 3.08Å; K129-F131 VanDerWaalsContact C-N 3.32Å; F131-Y133 PolarHBondContact O-N 3.07Å; F131-Y133 VanDerWaalsContact O-N 3.16Å; F131-F134 PolarHBondContact O-N 3.37Å; F131-A135 HydrophobicContact CE1-CB 4.47Å; F131-A135 WeakPolarHBondContact O-CB 3.42Å; F131-A135 PolarHBondContact O-N 3.45Å; F131-V148 HydrophobicContact CE1-CB 4.2Å; F131-V148 HydrophobicContact CE1-CG1 3.95Å; F131-V148 VanDerWaalsContact CZ-O 3.31Å; F131-V148 WeakPolarHBondContact CZ-O 3.41Å; F131-M150 VanDerWaalsContact CA-CE 3.44Å; F131-M150 HydrophobicContact CB-CE 4.24Å; F131-M150 HydrophobicContact CD2-CE 3.54Å; F131-M150 HydrophobicContact CD2-CG 3.99Å; F131-M150 HydrophobicContact CD2-SD 3.63Å; F131-M150 HydrophobicContact CE2-CB 4.33Å; F131-M150 HydrophobicContact CE2-CE 4.17Å; F131-M150 HydrophobicContact CE2-CG 3.66Å; F131-M150 HydrophobicContact CE2-SD 3.82Å; F131-M150 HydrophobicContact CG-CE 4.07Å; F131-M150 HydrophobicContact CZ-CG 4.38Å; F131-M150 WeakPolarHBondContact O-CE 3.36Å; F131-F213 HydrophobicContact CB-CD2 3.7Å; F131-F213 HydrophobicContact CB-CE2 3.99Å; F131-F213 HydrophobicContact CD1-CB 4.08Å; F131-F213 AromaticContact CD1-CD2 3.72Å; F131-F213 HydrophobicContact CD1-CD2 3.72Å; F131-F213 HydrophobicContact CD1-CG 4.32Å; F131-F213 HydrophobicContact CD2-CD2 4.04Å; F131-F213 HydrophobicContact CE1-CB 3.83Å; F131-F213 HydrophobicContact CE1-CD2 4.34Å; F131-F213 HydrophobicContact CE2-CB 4.32Å; F131-F213 HydrophobicContact CG-CB 4.44Å; F131-F213 AromaticContact CG-CD2 3.55Å; F131-F213 HydrophobicContact CG-CD2 3.55Å; F131-F213 HydrophobicContact CG-CE2 4.34Å; F131-F213 HydrophobicContact CG-CG 4.47Å; F131-F213 HydrophobicContact CZ-CB 3.97Å; F131-Y216 HydrophobicContact CB-CD1 4.18Å; F131-Y216 HydrophobicContact CB-CE1 4.37Å; F131-Y216 HydrophobicContact CD2-CD1 4Å; F131-Y216 HydrophobicContact CD2-CD2 4.42Å; F131-Y216 AromaticContact CD2-CG 3.79Å; F131-Y216 HydrophobicContact CD2-CG 3.79Å; F131-Y216 HydrophobicContact CE2-CG 4.48Å
132	R	93.8	Very high	90.1	Very high	36 Å²	36	34.7 Å²	34.7	14%	0.136	17%	0.168	C	C	.	.	H	α-helix	trans	-63.2	-23	179.4	-73.6	166.8	43.6	-157.1	-4.8	115.2	D128 L171 D172 T273 N275	D128-R132 WeakPolarHBondContact O-CG 3.37Å; D128-R132 PolarHBondContact O-N 3.3Å; D128-R132 IonicContact OD2-NH1 3.27Å; D128-R132 PolarHBondContact OD2-NH1 3.35Å; R132-L171 HydrophobicContact CB-CD1 4.11Å; R132-D172 IonicContact CZ-OD1 2.6Å; R132-D172 VanDerWaalsContact CZ-OD1 3.26Å; R132-D172 IonicContact CZ-OD2 3.53Å; R132-D172 IonicContact NE-OD1 3.19Å; R132-D172 PolarHBondContact NE-OD1 2.8Å; R132-D172 IonicContact NE-OD2 3.82Å; R132-D172 IonicContact NH2-OD1 3.47Å; R132-D172 PolarHBondContact NH2-OD1 2.82Å; R132-D172 IonicContact NH2-OD2 3.41Å; R132-D172 PolarHBondContact NH2-OD2 3.21Å; R132-D172 PolarHBondContact O-N 3.44Å; R132-T273 VanDerWaalsContact NH1-CG2 3.25Å; R132-N275 WeakPolarHBondContact CG-ND2 3.31Å
133	Y	95.9	Very high	89	Confident	18 Å²	18	41.6 Å²	41.6	7%	0.071	20%	0.201	C	C	.	.	H	α-helix	trans	-78.4	-41.4	178	-174.2	-84.2	0	0	0	112.1	Y117 E118 I121 K129 I130 F131 Q165 L171	Y117-Y133 AromaticContact CE1-CE2 3.87Å; Y117-Y133 HydrophobicContact CE1-CE2 3.87Å; E118-Y133 HydrophobicContact CG-CE1 3.65Å; E118-Y133 VanDerWaalsContact CG-OH 3.31Å; E118-Y133 WeakPolarHBondContact CG-OH 3.45Å; E118-Y133 WeakPolarHBondContact OE1-CE1 3.11Å; E118-Y133 PolarHBondContact OE1-OH 2.92Å; I121-Y133 HydrophobicContact CD1-CD1 4.37Å; I121-Y133 HydrophobicContact CD1-CD2 3.68Å; I121-Y133 HydrophobicContact CD1-CE1 4.37Å; I121-Y133 HydrophobicContact CD1-CE2 3.68Å; I121-Y133 HydrophobicContact CD1-CG 4.06Å; K129-Y133 VanDerWaalsContact O-CB 3.22Å; K129-Y133 WeakPolarHBondContact O-CB 3.45Å; K129-Y133 PolarHBondContact O-N 3.33Å; I130-Y133 PolarHBondContact O-N 2.94Å; F131-Y133 PolarHBondContact O-N 3.07Å; F131-Y133 VanDerWaalsContact O-N 3.16Å; Y133-Q165 HydrophobicContact CE1-CB 4.13Å; Y133-L171 HydrophobicContact CD2-CB 3.86Å; Y133-L171 HydrophobicContact CD2-CD1 4.49Å; Y133-L171 HydrophobicContact CE2-CB 4.43Å
134	F	96.3	Very high	88.3	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-95.7	-21.2	-174.6	-70.6	-74.4	0	0	0	113.2	E118 I121 R122 I130 F131 T136 M150 D154 R157 Q165	E118-F134 HydrophobicContact CB-CZ 4.34Å; I121-F134 HydrophobicContact CG2-CE2 4.32Å; R122-F134 HydrophobicContact CG-CE2 3.97Å; R122-F134 HydrophobicContact CG-CZ 4.02Å; I130-F134 HydrophobicContact CG2-CD2 3.8Å; I130-F134 HydrophobicContact CG2-CE2 4.09Å; I130-F134 WeakPolarHBondContact O-CD2 3.25Å; I130-F134 PolarHBondContact O-N 3.49Å; I130-F134 VanDerWaalsContact O-N 3.11Å; F131-F134 PolarHBondContact O-N 3.37Å; F134-T136 PolarHBondContact O-N 3.44Å; F134-M150 HydrophobicContact CB-CE 3.74Å; F134-D154 WeakPolarHBondContact O-CB 3.33Å; F134-R157 HydrophobicContact CD1-CB 4.38Å; F134-R157 HydrophobicContact CD1-CG 4.16Å; F134-R157 HydrophobicContact CE1-CG 4.27Å; F134-Q165 PolarHBondContact O-NE2 3.05Å
135	A	94.8	Very high	87.8	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.21	C	C	.	.			trans	-61	133.8	173.2	0	0	0	0	0	110.7	F131 V148 M150 F174	F131-A135 HydrophobicContact CE1-CB 4.47Å; F131-A135 WeakPolarHBondContact O-CB 3.42Å; F131-A135 PolarHBondContact O-N 3.45Å; A135-V148 HydrophobicContact CB-CG1 3.51Å; A135-M150 HydrophobicContact CB-CE 4.21Å; A135-M150 HydrophobicContact CB-CG 3.75Å; A135-F174 HydrophobicContact CB-CE1 4.03Å; A135-F174 VanDerWaalsContact O-CD1 3.32Å; A135-F174 WeakPolarHBondContact O-CD1 3.4Å; A135-F174 WeakPolarHBondContact O-CE1 3.2Å
136	T	93.3	Very high	87.4	Confident	9 Å²	9	41 Å²	41	6%	0.055	22%	0.22	C	C	.	.			trans	-110.2	-17.6	-176.8	58.9	0	0	0	0	113	F134 D154 L169 F174 I175	F134-T136 PolarHBondContact O-N 3.44Å; T136-D154 WeakPolarHBondContact CB-OD2 3.32Å; T136-D154 VanDerWaalsContact CG2-OD1 3.23Å; T136-D154 WeakPolarHBondContact CG2-OD1 3.35Å; T136-D154 WeakPolarHBondContact CG2-OD2 3.05Å; T136-D154 PolarHBondContact OG1-OD2 2.79Å; T136-L169 HydrophobicContact CG2-CB 4.25Å; T136-L169 HydrophobicContact CG2-CD1 3.84Å; T136-F174 CarbonylContact O-C 3.58Å; T136-F174 WeakPolarHBondContact O-CA 3.3Å; T136-I175 PolarHBondContact O-N 3.43Å
137	L	90.7	Very high	87.2	Confident	6 Å²	6	42.4 Å²	42.4	3%	0.031	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	137.6	-172.8	-60.7	-179.5	0	0	0	111	V148 Y149 T151 I175 K177 F195 L210	L137-V148 WeakPolarHBondContact O-CA 3.33Å; L137-Y149 PolarHBondContact N-O 3.12Å; L137-Y149 PolarHBondContact O-N 2.97Å; L137-T151 HydrophobicContact CD1-CG2 3.73Å; L137-T151 HydrophobicContact CG-CG2 4.29Å; L137-I175 HydrophobicContact CD2-CB 3.97Å; L137-I175 HydrophobicContact CD2-CD1 4.46Å; L137-I175 HydrophobicContact CD2-CG2 4.38Å; L137-K177 HydrophobicContact CD2-CD 4.27Å; L137-F195 HydrophobicContact CD1-CE1 4.06Å; L137-F195 HydrophobicContact CD1-CZ 4.12Å; L137-L210 HydrophobicContact CD1-CD2 3.54Å
138	K	90.3	Very high	87.1	Confident	69 Å²	69	43.7 Å²	43.7	30%	0.3	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	111.3	167.1	-178.8	172	178.9	173.4	0	108.2	A146 E147 V148 F174 I175 V176 K177	K138-A146 HydrophobicContact CG-CB 4.45Å; K138-E147 CarbonylContact C-O 3.56Å; K138-E147 WeakPolarHBondContact CA-O 3.39Å; K138-V148 HydrophobicContact CB-CG2 4.48Å; K138-V148 HydrophobicContact CD-CG2 4.42Å; K138-V148 HydrophobicContact CG-CG2 4.27Å; K138-F174 HydrophobicContact CB-CB 3.6Å; K138-F174 HydrophobicContact CB-CD2 4.11Å; K138-F174 HydrophobicContact CB-CG 3.96Å; K138-F174 HydrophobicContact CD-CD2 4.12Å; K138-I175 PolarHBondContact N-O 3.4Å; K138-V176 HydrophobicContact CB-CG2 4.49Å; K138-V176 CarbonylContact O-C 3.53Å; K138-V176 WeakPolarHBondContact O-CA 3.03Å; K138-K177 PolarHBondContact O-N 3.31Å
139	V	86.1	Confident	87.1	Confident	4 Å²	4	45 Å²	45	2%	0.024	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	128.9	-179.1	179.3	0	0	0	0	108.4	A146 E147 Y149 K177 Y179 L210	V139-A146 CarbonylContact O-C 3.59Å; V139-A146 WeakPolarHBondContact O-CA 3.33Å; V139-E147 PolarHBondContact N-O 3.22Å; V139-E147 PolarHBondContact O-N 3.15Å; V139-Y149 HydrophobicContact CB-CD2 3.94Å; V139-Y149 HydrophobicContact CB-CE2 4.02Å; V139-Y149 HydrophobicContact CG2-CD2 3.76Å; V139-Y149 HydrophobicContact CG2-CE2 4.26Å; V139-K177 WeakPolarHBondContact CA-O 3.19Å; V139-Y179 HydrophobicContact CB-CE2 4.5Å; V139-Y179 HydrophobicContact CG1-CD2 3.48Å; V139-Y179 VanDerWaalsContact CG1-CD2 3.48Å; V139-Y179 HydrophobicContact CG1-CE2 3.59Å; V139-Y179 HydrophobicContact CG2-CE2 4.14Å; V139-L210 HydrophobicContact CG2-CD1 4.26Å
140	I	84.2	Confident	87	Confident	35 Å²	35	41.9 Å²	41.9	18%	0.179	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	116.1	173.9	-54.1	178.5	0	0	0	107	A146 V176 K177 R178 Y179	I140-A146 HydrophobicContact CG1-CB 3.91Å; I140-V176 HydrophobicContact CD1-CG1 3.54Å; I140-V176 HydrophobicContact CG1-CG1 4.06Å; I140-K177 PolarHBondContact N-O 3.17Å; I140-R178 HydrophobicContact CB-CG 4.26Å; I140-R178 HydrophobicContact CD1-CG 4Å; I140-R178 HydrophobicContact CG1-CG 4.44Å; I140-Y179 PolarHBondContact O-N 3Å
141	N	77.4	Confident	86.9	Confident	54 Å²	54	42.7 Å²	42.7	29%	0.289	23%	0.227	S	C	.	.			trans	-74	162.2	179	-67.5	-13	0	0	0	110.7	H143 G144 D145	N141-H143 PolarHBondContact O-N 3.36Å; N141-G144 PolarHBondContact O-N 3.18Å; N141-D145 PolarHBondContact N-O 3.15Å
142	E	70.9	Confident	86.8	Confident	120 Å²	120	42.9 Å²	42.9	56%	0.561	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-27.2	-179.3	-62.6	-173.4	167.6	0	0	113.5	G144 Y179 G181	E142-G144 VanDerWaalsContact C-N 3.29Å; E142-G144 PolarHBondContact O-N 2.99Å; E142-Y179 WeakPolarHBondContact CG-O 3.31Å; E142-G181 VanDerWaalsContact OE1-CA 3.23Å; E142-G181 WeakPolarHBondContact OE1-CA 3.37Å; E142-G181 PolarHBondContact OE1-N 3.45Å
143	H	70.2	Confident	86.7	Confident	167 Å²	167	44.2 Å²	44.2	77%	0.773	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-1.7	179.2	-57.8	-57.9	0	0	0	113.9	N141 D145	N141-H143 PolarHBondContact O-N 3.36Å; H143-D145 VanDerWaalsContact C-N 3.34Å
144	G	72.8	Confident	86.7	Confident	53 Å²	53	43.6 Å²	43.6	55%	0.546	23%	0.234	S	C	.	.	S	Bend	trans	88.1	-2.9	-179.2	0	0	0	0	0	114.6	N141 E142	N141-G144 PolarHBondContact O-N 3.18Å; E142-G144 VanDerWaalsContact C-N 3.29Å; E142-G144 PolarHBondContact O-N 2.99Å
145	D	79.5	Confident	86.6	Confident	107 Å²	107	43.6 Å²	43.6	57%	0.572	23%	0.234	S	C	*	.			trans	-72.2	133.7	172.6	-67.9	-38	0	0	0	110.2	N141 H143	N141-D145 PolarHBondContact N-O 3.15Å; H143-D145 VanDerWaalsContact C-N 3.34Å
146	A	83.9	Confident	86.5	Confident	46 Å²	46	43.6 Å²	43.6	38%	0.38	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	118.3	-176.3	0	0	0	0	0	111	K138 V139 I140	K138-A146 HydrophobicContact CG-CB 4.45Å; V139-A146 CarbonylContact O-C 3.59Å; V139-A146 WeakPolarHBondContact O-CA 3.33Å; I140-A146 HydrophobicContact CG1-CB 3.91Å
147	E	85.7	Confident	86.5	Confident	93 Å²	93	44.4 Å²	44.4	44%	0.435	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	146.9	-177.6	-69.5	-177.5	169.2	0	0	110.8	K138 V139 Y149	K138-E147 CarbonylContact C-O 3.56Å; K138-E147 WeakPolarHBondContact CA-O 3.39Å; V139-E147 PolarHBondContact N-O 3.22Å; V139-E147 PolarHBondContact O-N 3.15Å; E147-Y149 HydrophobicContact CB-CD2 4.32Å; E147-Y149 HydrophobicContact CB-CE2 3.58Å; E147-Y149 PolarHBondContact OE2-OH 3.33Å
148	V	90.4	Very high	86.7	Confident	26 Å²	26	44.3 Å²	44.3	16%	0.158	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	132.3	-177.9	176.7	0	0	0	0	108.7	F131 A135 L137 K138 F174	F131-V148 HydrophobicContact CE1-CB 4.2Å; F131-V148 HydrophobicContact CE1-CG1 3.95Å; F131-V148 VanDerWaalsContact CZ-O 3.31Å; F131-V148 WeakPolarHBondContact CZ-O 3.41Å; A135-V148 HydrophobicContact CB-CG1 3.51Å; L137-V148 WeakPolarHBondContact O-CA 3.33Å; K138-V148 HydrophobicContact CB-CG2 4.48Å; K138-V148 HydrophobicContact CD-CG2 4.42Å; K138-V148 HydrophobicContact CG-CG2 4.27Å; V148-F174 HydrophobicContact CG1-CD1 4Å; V148-F174 HydrophobicContact CG1-CE1 3.48Å; V148-F174 VanDerWaalsContact CG1-CE1 3.48Å; V148-F174 HydrophobicContact CG1-CE2 4.44Å; V148-F174 HydrophobicContact CG1-CZ 3.72Å; V148-F174 HydrophobicContact CG2-CD2 4.38Å; V148-F174 HydrophobicContact CG2-CE1 4.43Å; V148-F174 HydrophobicContact CG2-CE2 3.93Å; V148-F174 HydrophobicContact CG2-CZ 3.96Å
149	Y	90.4	Very high	86.7	Confident	34 Å²	34	41.5 Å²	41.5	13%	0.133	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	150	-176.2	-71.7	-84.3	0	0	0	111.9	L137 V139 E147 L210	L137-Y149 PolarHBondContact N-O 3.12Å; L137-Y149 PolarHBondContact O-N 2.97Å; V139-Y149 HydrophobicContact CB-CD2 3.94Å; V139-Y149 HydrophobicContact CB-CE2 4.02Å; V139-Y149 HydrophobicContact CG2-CD2 3.76Å; V139-Y149 HydrophobicContact CG2-CE2 4.26Å; E147-Y149 HydrophobicContact CB-CD2 4.32Å; E147-Y149 HydrophobicContact CB-CE2 3.58Å; E147-Y149 PolarHBondContact OE2-OH 3.33Å; Y149-L210 HydrophobicContact CD1-CB 3.83Å; Y149-L210 HydrophobicContact CG-CB 4.2Å; Y149-L210 HydrophobicContact CG-CD1 4.27Å
150	M	92.1	Very high	87	Confident	0 Å²	0	42 Å²	42	0%	0	23%	0.227	C	C	.	.	B	Isolated β-bridge	trans	-99.9	143.1	167.6	-78	-176.2	169.3	0	0	110.6	F131 F134 A135 D154 I211 Y216	F131-M150 VanDerWaalsContact CA-CE 3.44Å; F131-M150 HydrophobicContact CB-CE 4.24Å; F131-M150 HydrophobicContact CD2-CE 3.54Å; F131-M150 HydrophobicContact CD2-CG 3.99Å; F131-M150 HydrophobicContact CD2-SD 3.63Å; F131-M150 HydrophobicContact CE2-CB 4.33Å; F131-M150 HydrophobicContact CE2-CE 4.17Å; F131-M150 HydrophobicContact CE2-CG 3.66Å; F131-M150 HydrophobicContact CE2-SD 3.82Å; F131-M150 HydrophobicContact CG-CE 4.07Å; F131-M150 HydrophobicContact CZ-CG 4.38Å; F131-M150 WeakPolarHBondContact O-CE 3.36Å; F134-M150 HydrophobicContact CB-CE 3.74Å; A135-M150 HydrophobicContact CB-CE 4.21Å; A135-M150 HydrophobicContact CB-CG 3.75Å; M150-D154 HydrophobicContact CB-CB 4.11Å; M150-D154 HydrophobicContact CG-CB 4.14Å; M150-I211 HydrophobicContact CB-CB 4.06Å; M150-I211 PolarHBondContact N-O 3.12Å; M150-I211 PolarHBondContact O-N 3.46Å; M150-Y216 HydrophobicContact SD-CD2 3.94Å; M150-Y216 HydrophobicContact SD-CE2 4.38Å
151	T	92.4	Very high	87.2	Confident	20 Å²	20	41.5 Å²	41.5	12%	0.123	23%	0.226	C	C	.	.			trans	-77.8	162.1	159.3	64.9	0	0	0	0	110.1	L137 Q153 D154 F155 F195	L137-T151 HydrophobicContact CD1-CG2 3.73Å; L137-T151 HydrophobicContact CG-CG2 4.29Å; T151-Q153 PolarHBondContact O-N 2.93Å; T151-D154 PolarHBondContact N-OD2 2.77Å; T151-D154 VanDerWaalsContact N-OD2 3.11Å; T151-D154 WeakPolarHBondContact O-CB 3.31Å; T151-D154 PolarHBondContact O-N 2.96Å; T151-D154 PolarHBondContact OG1-N 2.93Å; T151-D154 PolarHBondContact OG1-OD2 2.73Å; T151-F155 PolarHBondContact O-N 3.36Å; T151-F195 HydrophobicContact CG2-CD1 4.04Å
152	P	92.6	Very high	87.7	Confident	4 Å²	4	42.7 Å²	42.7	3%	0.026	23%	0.232	C	C	.	.	H	α-helix	trans	-55.9	-34.8	172.8	-26.2	36.1	0	0	0	112.4	D154 F155 I156 A196 F202 G209 L318	P152-D154 PolarHBondContact O-N 3.24Å; P152-F155 WeakPolarHBondContact O-CB 3.47Å; P152-F155 PolarHBondContact O-N 2.8Å; P152-I156 WeakPolarHBondContact O-CG1 3.27Å; P152-I156 PolarHBondContact O-N 3.22Å; P152-A196 HydrophobicContact CG-CB 4.16Å; P152-F202 HydrophobicContact CB-CB 4.36Å; P152-F202 HydrophobicContact CB-CD1 4.38Å; P152-F202 HydrophobicContact CB-CD2 3.88Å; P152-F202 HydrophobicContact CB-CE2 4.28Å; P152-F202 HydrophobicContact CB-CG 3.94Å; P152-F202 HydrophobicContact CG-CB 3.77Å; P152-F202 HydrophobicContact CG-CD1 4.43Å; P152-F202 HydrophobicContact CG-CD2 4.21Å; P152-F202 HydrophobicContact CG-CG 3.89Å; P152-G209 WeakPolarHBondContact CD-O 3.42Å; P152-G209 WeakPolarHBondContact CG-O 3.42Å; P152-L318 HydrophobicContact CB-CD1 3.72Å
153	Q	91.8	Very high	88.5	Confident	64 Å²	64	40.1 Å²	40.1	30%	0.299	22%	0.22	S	C	.	.	H	α-helix	trans	-67.5	-35.2	176.3	-68	-64.4	-11.5	0	0	113.2	T151 R157	T151-Q153 PolarHBondContact O-N 2.93Å; Q153-R157 WeakPolarHBondContact O-CB 3.49Å; Q153-R157 PolarHBondContact O-N 3.41Å
154	D	94.7	Very high	89.4	Confident	4 Å²	4	34.6 Å²	34.6	2%	0.021	19%	0.194	C	C	.	.	H	α-helix	trans	-68.8	-39.1	173.4	-61.5	-32.1	0	0	0	111.3	F134 T136 M150 T151 P152 R157 S158	F134-D154 WeakPolarHBondContact O-CB 3.33Å; T136-D154 WeakPolarHBondContact CB-OD2 3.32Å; T136-D154 VanDerWaalsContact CG2-OD1 3.23Å; T136-D154 WeakPolarHBondContact CG2-OD1 3.35Å; T136-D154 WeakPolarHBondContact CG2-OD2 3.05Å; T136-D154 PolarHBondContact OG1-OD2 2.79Å; M150-D154 HydrophobicContact CB-CB 4.11Å; M150-D154 HydrophobicContact CG-CB 4.14Å; T151-D154 PolarHBondContact N-OD2 2.77Å; T151-D154 VanDerWaalsContact N-OD2 3.11Å; T151-D154 WeakPolarHBondContact O-CB 3.31Å; T151-D154 PolarHBondContact O-N 2.96Å; T151-D154 PolarHBondContact OG1-N 2.93Å; T151-D154 PolarHBondContact OG1-OD2 2.73Å; P152-D154 PolarHBondContact O-N 3.24Å; D154-R157 CarbonylContact O-C 3.51Å; D154-R157 WeakPolarHBondContact O-CB 3.27Å; D154-R157 PolarHBondContact O-N 2.91Å; D154-R157 VanDerWaalsContact O-N 3.16Å; D154-R157 IonicContact OD1-CZ 3.49Å; D154-R157 IonicContact OD1-NH1 2.89Å; D154-R157 PolarHBondContact OD1-NH1 3.16Å; D154-R157 IonicContact OD1-NH2 3.28Å; D154-S158 WeakPolarHBondContact O-CB 3.34Å; D154-S158 PolarHBondContact O-N 3.44Å
155	F	94.4	Very high	90.3	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-57	-51.2	174.1	179.1	-100.4	0	0	0	111.2	T151 P152 R157 S158 I159 F202 I211 Y216 L219 T220 L223 V315	T151-F155 PolarHBondContact O-N 3.36Å; P152-F155 WeakPolarHBondContact O-CB 3.47Å; P152-F155 PolarHBondContact O-N 2.8Å; F155-R157 VanDerWaalsContact C-N 3.31Å; F155-R157 PolarHBondContact O-N 3.28Å; F155-S158 WeakPolarHBondContact O-CB 3.14Å; F155-S158 PolarHBondContact O-N 2.74Å; F155-S158 VanDerWaalsContact O-N 3.11Å; F155-S158 PolarHBondContact O-OG 3.03Å; F155-I159 HydrophobicContact CE1-CD1 4.4Å; F155-I159 PolarHBondContact O-N 3.41Å; F155-F202 HydrophobicContact CD1-CE1 4.12Å; F155-F202 HydrophobicContact CD1-CZ 4.13Å; F155-F202 HydrophobicContact CE1-CE1 4.46Å; F155-F202 HydrophobicContact CE1-CZ 4.44Å; F155-I211 HydrophobicContact CB-CD1 3.62Å; F155-I211 HydrophobicContact CD2-CD1 4.31Å; F155-I211 HydrophobicContact CG-CD1 4Å; F155-Y216 AromaticContact CD2-CD2 3.69Å; F155-Y216 HydrophobicContact CD2-CD2 3.69Å; F155-Y216 HydrophobicContact CD2-CE2 4.11Å; F155-Y216 AromaticContact CE2-CD2 3.72Å; F155-Y216 HydrophobicContact CE2-CD2 3.72Å; F155-Y216 HydrophobicContact CE2-CE2 4.07Å; F155-L219 HydrophobicContact CE2-CB 3.89Å; F155-L219 HydrophobicContact CE2-CD1 4.35Å; F155-L219 HydrophobicContact CZ-CB 3.71Å; F155-L219 HydrophobicContact CZ-CD1 4.49Å; F155-T220 HydrophobicContact CE2-CG2 3.91Å; F155-T220 HydrophobicContact CZ-CG2 4.2Å; F155-L223 HydrophobicContact CE1-CD1 3.68Å; F155-L223 HydrophobicContact CZ-CD1 3.67Å; F155-V315 HydrophobicContact CE1-CG2 4.11Å
156	I	93.4	Very high	90.9	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-59.8	-41.7	175	-58.8	-57.7	0	0	0	111.3	P152 S158 I159 T160 V315 L318 E319	P152-I156 WeakPolarHBondContact O-CG1 3.27Å; P152-I156 PolarHBondContact O-N 3.22Å; I156-S158 VanDerWaalsContact C-N 3.26Å; I156-S158 PolarHBondContact O-N 2.91Å; I156-I159 HydrophobicContact CD1-CD1 4.23Å; I156-I159 WeakPolarHBondContact O-CG1 3.49Å; I156-I159 PolarHBondContact O-N 3.22Å; I156-T160 WeakPolarHBondContact O-CB 3.48Å; I156-T160 PolarHBondContact O-N 3.43Å; I156-T160 PolarHBondContact O-OG1 3.03Å; I156-T160 VanDerWaalsContact O-OG1 3.05Å; I156-V315 HydrophobicContact CD1-CB 4Å; I156-V315 HydrophobicContact CD1-CG1 3.64Å; I156-V315 HydrophobicContact CD1-CG2 3.98Å; I156-L318 HydrophobicContact CD1-CB 4.19Å; I156-L318 HydrophobicContact CD1-CD1 4.32Å; I156-L318 HydrophobicContact CG1-CB 3.76Å; I156-L318 HydrophobicContact CG1-CD1 3.98Å; I156-E319 HydrophobicContact CG2-CG 3.62Å
157	R	93.4	Very high	91.1	Very high	26 Å²	26	33.1 Å²	33.1	10%	0.098	17%	0.166	C	C	.	.	H	α-helix	trans	-63.7	-32.4	177.3	-158	171.5	-46.4	106.7	6.3	112.8	R122 F134 Q153 D154 F155 I159 E163 K164 Q165	R122-R157 VanDerWaalsContact CZ-O 3.27Å; R122-R157 PolarHBondContact NE-O 3.2Å; R122-R157 PolarHBondContact NH2-O 3.05Å; F134-R157 HydrophobicContact CD1-CB 4.38Å; F134-R157 HydrophobicContact CD1-CG 4.16Å; F134-R157 HydrophobicContact CE1-CG 4.27Å; Q153-R157 WeakPolarHBondContact O-CB 3.49Å; Q153-R157 PolarHBondContact O-N 3.41Å; D154-R157 CarbonylContact O-C 3.51Å; D154-R157 WeakPolarHBondContact O-CB 3.27Å; D154-R157 PolarHBondContact O-N 2.91Å; D154-R157 VanDerWaalsContact O-N 3.16Å; D154-R157 IonicContact OD1-CZ 3.49Å; D154-R157 IonicContact OD1-NH1 2.89Å; D154-R157 PolarHBondContact OD1-NH1 3.16Å; D154-R157 IonicContact OD1-NH2 3.28Å; F155-R157 VanDerWaalsContact C-N 3.31Å; F155-R157 PolarHBondContact O-N 3.28Å; R157-I159 VanDerWaalsContact C-N 3.29Å; R157-I159 PolarHBondContact O-N 3.41Å; R157-E163 HydrophobicContact CG-CB 4.08Å; R157-K164 WeakPolarHBondContact CD-O 3.35Å; R157-Q165 VanDerWaalsContact CD-OE1 3.3Å
158	S	94.1	Very high	91.1	Very high	4 Å²	4	35 Å²	35	3%	0.028	18%	0.18	C	C	.	.	H	α-helix	trans	-69.3	-29.6	179.8	82.3	0	0	0	0	112.3	R122 D154 F155 I156 Y216	R122-S158 WeakPolarHBondContact CD-O 3.38Å; R122-S158 VanDerWaalsContact CG-O 3.32Å; R122-S158 WeakPolarHBondContact CG-O 3.44Å; D154-S158 WeakPolarHBondContact O-CB 3.34Å; D154-S158 PolarHBondContact O-N 3.44Å; F155-S158 WeakPolarHBondContact O-CB 3.14Å; F155-S158 PolarHBondContact O-N 2.74Å; F155-S158 VanDerWaalsContact O-N 3.11Å; F155-S158 PolarHBondContact O-OG 3.03Å; I156-S158 VanDerWaalsContact C-N 3.26Å; I156-S158 PolarHBondContact O-N 2.91Å; S158-Y216 WeakPolarHBondContact OG-CE2 3.49Å
159	I	91.6	Very high	91	Very high	11 Å²	11	35.2 Å²	35.2	6%	0.056	18%	0.179	C	C	.	.	H	α-helix	trans	-92.9	-39.2	179.6	60.9	175.5	0	0	0	112.1	F155 I156 R157 P161 V315 Y342	F155-I159 HydrophobicContact CE1-CD1 4.4Å; F155-I159 PolarHBondContact O-N 3.41Å; I156-I159 HydrophobicContact CD1-CD1 4.23Å; I156-I159 WeakPolarHBondContact O-CG1 3.49Å; I156-I159 PolarHBondContact O-N 3.22Å; R157-I159 VanDerWaalsContact C-N 3.29Å; R157-I159 PolarHBondContact O-N 3.41Å; I159-P161 WeakPolarHBondContact O-CD 3.09Å; I159-V315 HydrophobicContact CD1-CG1 4.12Å; I159-Y342 VanDerWaalsContact O-CE1 3.28Å; I159-Y342 WeakPolarHBondContact O-CE1 3.33Å
160	T	90.6	Very high	90.9	Very high	13 Å²	13	34.2 Å²	34.2	8%	0.08	18%	0.179	C	C	.	.	S	Bend	trans	-78.8	117.7	-172.6	-57.1	0	0	0	0	111.8	R122 I156 E163 Y342	R122-T160 PolarHBondContact NE-O 3.19Å; R122-T160 VanDerWaalsContact NE-O 3.09Å; R122-T160 PolarHBondContact NH1-O 3.1Å; R122-T160 PolarHBondContact NH2-O 2.85Å; I156-T160 WeakPolarHBondContact O-CB 3.48Å; I156-T160 PolarHBondContact O-N 3.43Å; I156-T160 PolarHBondContact O-OG1 3.03Å; I156-T160 VanDerWaalsContact O-OG1 3.05Å; T160-E163 HydrophobicContact CG2-CG 3.75Å; T160-Y342 PolarHBondContact OG1-OH 2.95Å
161	P	89.6	Confident	90.9	Very high	25 Å²	25	37.1 Å²	37.1	16%	0.162	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	162	177.9	32	-37.8	0	0	0	112.5	N119 I159 E163 A341 Y342	N119-P161 WeakPolarHBondContact OD1-CA 3.05Å; I159-P161 WeakPolarHBondContact O-CD 3.09Å; P161-E163 PolarHBondContact O-N 2.94Å; P161-E163 VanDerWaalsContact O-N 3.17Å; P161-A341 HydrophobicContact CG-CB 4.37Å; P161-A341 WeakPolarHBondContact CG-O 3.43Å; P161-Y342 VanDerWaalsContact CD-CE1 3.42Å; P161-Y342 HydrophobicContact CG-CD1 4.06Å; P161-Y342 HydrophobicContact CG-CE1 4.4Å; P161-Y342 HydrophobicContact CG-CG 4.49Å
162	N	87.2	Confident	90.8	Very high	80 Å²	80	40 Å²	40	43%	0.428	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.4	8.4	-178.1	-52.9	-55.1	0	0	0	115.5	M115 N119	M115-N162 VanDerWaalsContact SD-O 3.35Å; N119-N162 PolarHBondContact ND2-OD1 3.44Å; N119-N162 PolarHBondContact OD1-N 3.21Å
163	E	87.6	Confident	90.7	Very high	65 Å²	65	44.4 Å²	44.4	30%	0.304	23%	0.23	S	C	.	.	P	Polyproline II helix	trans	-92.2	134.8	170.7	-70.3	-59.5	131.7	0	0	110	R122 R157 T160 P161 R322	R122-E163 PolarHBondContact NH1-O 3Å; R122-E163 PolarHBondContact NH2-O 3.06Å; R157-E163 HydrophobicContact CG-CB 4.08Å; T160-E163 HydrophobicContact CG2-CG 3.75Å; P161-E163 PolarHBondContact O-N 2.94Å; P161-E163 VanDerWaalsContact O-N 3.17Å; E163-R322 IonicContact OE2-CZ 3.15Å; E163-R322 VanDerWaalsContact OE2-CZ 3.28Å; E163-R322 IonicContact OE2-NE 3.63Å; E163-R322 PolarHBondContact OE2-NE 3.2Å; E163-R322 VanDerWaalsContact OE2-NE 3.08Å; E163-R322 IonicContact OE2-NH2 2.82Å; E163-R322 PolarHBondContact OE2-NH2 2.86Å
164	K	89.9	Confident	90.6	Very high	52 Å²	52	43.3 Å²	43.3	23%	0.226	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-93	135.1	178.3	-168.9	-167.8	161.8	-175.5	0	110.4	D111 V114 M115 E118 R157 E167	D111-K164 IonicContact OD1-NZ 2.65Å; D111-K164 PolarHBondContact OD1-NZ 3.22Å; V114-K164 HydrophobicContact CG1-CD 4.47Å; V114-K164 HydrophobicContact CG1-CG 3.96Å; M115-K164 HydrophobicContact CG-CB 4.13Å; E118-K164 VanDerWaalsContact OE2-CA 3.24Å; E118-K164 WeakPolarHBondContact OE2-CA 3.49Å; R157-K164 WeakPolarHBondContact CD-O 3.35Å; K164-E167 IonicContact NZ-OE1 3.38Å; K164-E167 PolarHBondContact NZ-OE1 3.47Å
165	Q	91.6	Very high	90.4	Very high	5 Å²	5	47 Å²	47	2%	0.023	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-62.4	143.5	166.6	-173.5	71.4	-7	0	0	110.6	E118 Y133 F134 R157 L169	E118-Q165 WeakPolarHBondContact OE1-CB 3.29Å; E118-Q165 PolarHBondContact OE1-N 2.89Å; E118-Q165 PolarHBondContact OE2-N 2.87Å; E118-Q165 VanDerWaalsContact OE2-N 3.12Å; Y133-Q165 HydrophobicContact CE1-CB 4.13Å; F134-Q165 PolarHBondContact O-NE2 3.05Å; R157-Q165 VanDerWaalsContact CD-OE1 3.3Å; Q165-L169 HydrophobicContact CG-CB 4.43Å; Q165-L169 WeakPolarHBondContact CG-O 3.36Å; Q165-L169 PolarHBondContact NE2-O 3.48Å
166	P	91.4	Very high	90.1	Very high	56 Å²	56	50.7 Å²	50.7	36%	0.364	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-54.8	152.4	174.8	-23.9	33.1	0	0	0	112.1	L169	P166-L169 HydrophobicContact CB-CD1 4.06Å; P166-L169 HydrophobicContact CG-CD1 4.39Å; P166-L169 PolarHBondContact O-N 3.45Å
167	E	87.4	Confident	89.5	Confident	113 Å²	113	52.4 Å²	52.4	53%	0.528	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	141.8	-178.5	-52	-156.7	149.3	0	0	110.6	K164 L169	K164-E167 IonicContact NZ-OE1 3.38Å; K164-E167 PolarHBondContact NZ-OE1 3.47Å; E167-L169 PolarHBondContact O-N 2.85Å
168	N	87.6	Confident	88.7	Confident	134 Å²	134	58.6 Å²	58.6	72%	0.717	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.4	11.3	-178.5	-43	-45.1	0	0	0	115.9	Q173	N168-Q173 VanDerWaalsContact C-OE1 3.31Å; N168-Q173 WeakPolarHBondContact O-CB 3.41Å; N168-Q173 PolarHBondContact O-OE1 3.43Å
169	L	87.4	Confident	87.3	Confident	29 Å²	29	59.5 Å²	59.5	15%	0.152	30%	0.299	C	S	.	.			trans	-119.9	37.9	176.1	-60.5	179.8	0	0	0	112.2	T136 Q165 P166 E167 I175	T136-L169 HydrophobicContact CG2-CB 4.25Å; T136-L169 HydrophobicContact CG2-CD1 3.84Å; Q165-L169 HydrophobicContact CG-CB 4.43Å; Q165-L169 WeakPolarHBondContact CG-O 3.36Å; Q165-L169 PolarHBondContact NE2-O 3.48Å; P166-L169 HydrophobicContact CB-CD1 4.06Å; P166-L169 HydrophobicContact CG-CD1 4.39Å; P166-L169 PolarHBondContact O-N 3.45Å; E167-L169 PolarHBondContact O-N 2.85Å; L169-I175 HydrophobicContact CD1-CD1 4.13Å; L169-I175 HydrophobicContact CD1-CG1 4.5Å; L169-I175 HydrophobicContact CD2-CD1 4.22Å; L169-I175 HydrophobicContact CD2-CG1 3.69Å
170	G	88.1	Confident	85.5	Confident	13 Å²	13	62.4 Å²	62.4	13%	0.134	32%	0.315	C	S	.	.	S	Bend	trans	-80.8	-154.3	179.1	0	0	0	0	0	113.3	D172 Q173	G170-D172 PolarHBondContact O-N 3.33Å; G170-D172 VanDerWaalsContact O-N 3.15Å; G170-Q173 PolarHBondContact O-N 3.49Å; G170-Q173 VanDerWaalsContact O-N 3.08Å
171	L	92.3	Very high	83.8	Confident	62 Å²	62	62.6 Å²	62.6	33%	0.325	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	121.7	-179.6	-171.4	62.7	0	0	0	112.3	K129 R132 Y133 Q173	K129-L171 HydrophobicContact CG-CD1 4.41Å; R132-L171 HydrophobicContact CB-CD1 4.11Å; Y133-L171 HydrophobicContact CD2-CB 3.86Å; Y133-L171 HydrophobicContact CD2-CD1 4.49Å; Y133-L171 HydrophobicContact CE2-CB 4.43Å; L171-Q173 PolarHBondContact O-N 2.64Å
172	D	89.6	Confident	82.1	Confident	79 Å²	79	70.8 Å²	70.8	42%	0.422	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.5	23.3	178.2	-53.3	-37.9	0	0	0	114.7	R132 G170 F174	R132-D172 IonicContact CZ-OD1 2.6Å; R132-D172 VanDerWaalsContact CZ-OD1 3.26Å; R132-D172 IonicContact CZ-OD2 3.53Å; R132-D172 IonicContact NE-OD1 3.19Å; R132-D172 PolarHBondContact NE-OD1 2.8Å; R132-D172 IonicContact NE-OD2 3.82Å; R132-D172 IonicContact NH2-OD1 3.47Å; R132-D172 PolarHBondContact NH2-OD1 2.82Å; R132-D172 IonicContact NH2-OD2 3.41Å; R132-D172 PolarHBondContact NH2-OD2 3.21Å; R132-D172 PolarHBondContact O-N 3.44Å; G170-D172 PolarHBondContact O-N 3.33Å; G170-D172 VanDerWaalsContact O-N 3.15Å; D172-F174 HydrophobicContact CB-CE2 4.29Å
173	Q	90.3	Very high	80.5	Confident	98 Å²	98	71.4 Å²	71.4	46%	0.458	36%	0.356	S	S	.	.			trans	-112.2	108.3	175.9	-65.6	173	-5.9	0	0	108.9	N168 G170 L171	N168-Q173 VanDerWaalsContact C-OE1 3.31Å; N168-Q173 WeakPolarHBondContact O-CB 3.41Å; N168-Q173 PolarHBondContact O-OE1 3.43Å; G170-Q173 PolarHBondContact O-N 3.49Å; G170-Q173 VanDerWaalsContact O-N 3.08Å; L171-Q173 PolarHBondContact O-N 2.64Å
174	F	91.5	Very high	78.7	Confident	40 Å²	40	75.1 Å²	75.1	18%	0.175	37%	0.371	C	S	.	.			trans	-124.8	148.9	-172.4	-49.4	-68.9	0	0	0	111.4	A135 T136 K138 V148 D172 V176	A135-F174 HydrophobicContact CB-CE1 4.03Å; A135-F174 VanDerWaalsContact O-CD1 3.32Å; A135-F174 WeakPolarHBondContact O-CD1 3.4Å; A135-F174 WeakPolarHBondContact O-CE1 3.2Å; T136-F174 CarbonylContact O-C 3.58Å; T136-F174 WeakPolarHBondContact O-CA 3.3Å; K138-F174 HydrophobicContact CB-CB 3.6Å; K138-F174 HydrophobicContact CB-CD2 4.11Å; K138-F174 HydrophobicContact CB-CG 3.96Å; K138-F174 HydrophobicContact CD-CD2 4.12Å; V148-F174 HydrophobicContact CG1-CD1 4Å; V148-F174 HydrophobicContact CG1-CE1 3.48Å; V148-F174 VanDerWaalsContact CG1-CE1 3.48Å; V148-F174 HydrophobicContact CG1-CE2 4.44Å; V148-F174 HydrophobicContact CG1-CZ 3.72Å; V148-F174 HydrophobicContact CG2-CD2 4.38Å; V148-F174 HydrophobicContact CG2-CE1 4.43Å; V148-F174 HydrophobicContact CG2-CE2 3.93Å; V148-F174 HydrophobicContact CG2-CZ 3.96Å; D172-F174 HydrophobicContact CB-CE2 4.29Å; F174-V176 PolarHBondContact O-N 3.24Å
175	I	89.3	Confident	76.7	Confident	82 Å²	82	82.1 Å²	82.1	42%	0.421	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	109	160.9	-54.7	170.8	0	0	0	106.2	T136 L137 K138 L169 K177	T136-I175 PolarHBondContact O-N 3.43Å; L137-I175 HydrophobicContact CD2-CB 3.97Å; L137-I175 HydrophobicContact CD2-CD1 4.46Å; L137-I175 HydrophobicContact CD2-CG2 4.38Å; K138-I175 PolarHBondContact N-O 3.4Å; L169-I175 HydrophobicContact CD1-CD1 4.13Å; L169-I175 HydrophobicContact CD1-CG1 4.5Å; L169-I175 HydrophobicContact CD2-CD1 4.22Å; L169-I175 HydrophobicContact CD2-CG1 3.69Å; I175-K177 PolarHBondContact O-N 3.44Å
176	V	87.9	Confident	74.9	Confident	78 Å²	78	84.4 Å²	84.4	47%	0.473	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	118.7	179.9	-178.3	0	0	0	0	108.7	K138 I140 F174 R178	K138-V176 HydrophobicContact CB-CG2 4.49Å; K138-V176 CarbonylContact O-C 3.53Å; K138-V176 WeakPolarHBondContact O-CA 3.03Å; I140-V176 HydrophobicContact CD1-CG1 3.54Å; I140-V176 HydrophobicContact CG1-CG1 4.06Å; F174-V176 PolarHBondContact O-N 3.24Å; V176-R178 HydrophobicContact CG1-CG 4.4Å
177	K	81.9	Confident	72.8	Confident	35 Å²	35	86.5 Å²	86.5	15%	0.152	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	125.8	172.3	-67.6	-171.7	173.2	-176.8	0	108.6	L137 K138 V139 I140 I175 Y179 E193	L137-K177 HydrophobicContact CD2-CD 4.27Å; K138-K177 PolarHBondContact O-N 3.31Å; V139-K177 WeakPolarHBondContact CA-O 3.19Å; I140-K177 PolarHBondContact N-O 3.17Å; I175-K177 PolarHBondContact O-N 3.44Å; K177-Y179 HydrophobicContact CB-CE2 4.25Å; K177-E193 IonicContact NZ-OE1 2.59Å; K177-E193 PolarHBondContact NZ-OE1 3.06Å; K177-E193 IonicContact NZ-OE2 2.7Å; K177-E193 PolarHBondContact NZ-OE2 3.14Å
178	R	75.1	Confident	70.8	Confident	156 Å²	156	83.1 Å²	83.1	59%	0.589	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107	123.6	175.2	-64.4	-170.2	-177.3	-177.2	0.9	107.8	I140 V176 Q186	I140-R178 HydrophobicContact CB-CG 4.26Å; I140-R178 HydrophobicContact CD1-CG 4Å; I140-R178 HydrophobicContact CG1-CG 4.44Å; V176-R178 HydrophobicContact CG1-CG 4.4Å; R178-Q186 PolarHBondContact O-OE1 2.95Å
179	Y	65.9	Low	69	Low	23 Å²	23	78.9 Å²	78.9	9%	0.09	38%	0.379	C	S	.	.			trans	-106.1	78.1	168.1	-58.6	-70.4	0	0	0	106.3	V139 I140 E142 K177 G181 Q190	V139-Y179 HydrophobicContact CB-CE2 4.5Å; V139-Y179 HydrophobicContact CG1-CD2 3.48Å; V139-Y179 VanDerWaalsContact CG1-CD2 3.48Å; V139-Y179 HydrophobicContact CG1-CE2 3.59Å; V139-Y179 HydrophobicContact CG2-CE2 4.14Å; I140-Y179 PolarHBondContact O-N 3Å; E142-Y179 WeakPolarHBondContact CG-O 3.31Å; K177-Y179 HydrophobicContact CB-CE2 4.25Å; Y179-G181 PolarHBondContact O-N 3.33Å; Y179-Q190 HydrophobicContact CD1-CB 3.65Å; Y179-Q190 VanDerWaalsContact CD1-CD 3.5Å; Y179-Q190 HydrophobicContact CD1-CG 3.73Å; Y179-Q190 VanDerWaalsContact CD1-OE1 3.3Å; Y179-Q190 HydrophobicContact CE1-CB 3.46Å; Y179-Q190 VanDerWaalsContact CE1-CB 3.46Å; Y179-Q190 HydrophobicContact CE1-CG 3.54Å; Y179-Q190 HydrophobicContact CE2-CG 4.39Å; Y179-Q190 HydrophobicContact CG-CG 4.23Å
180	D	53.8	Low	67.4	Low	73 Å²	73	80.5 Å²	80.5	39%	0.39	39%	0.386	S	S	.	.			trans	-79.6	94.6	165.8	-79.4	-46.9	0	0	0	104.6	K182 D183 Q186	D180-K182 PolarHBondContact O-N 3.22Å; D180-D183 PolarHBondContact O-N 3.46Å; D180-Q186 PolarHBondContact O-OE1 3.44Å; D180-Q186 VanDerWaalsContact O-OE1 3.14Å
181	G	54.8	Low	65.5	Low	17 Å²	17	86.6 Å²	86.6	18%	0.175	41%	0.411	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	15.1	-176.3	0	0	0	0	0	116.7	E142 Y179 K187	E142-G181 VanDerWaalsContact OE1-CA 3.23Å; E142-G181 WeakPolarHBondContact OE1-CA 3.37Å; E142-G181 PolarHBondContact OE1-N 3.45Å; Y179-G181 PolarHBondContact O-N 3.33Å; G181-K187 WeakPolarHBondContact O-CE 3.22Å; G181-K187 PolarHBondContact O-NZ 3.37Å
182	K	54.3	Low	63.5	Low	196 Å²	196	93.5 Å²	93.5	85%	0.852	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-32.7	166.7	-67	178.7	-179.8	171.8	0	112.9	D180	D180-K182 PolarHBondContact O-N 3.22Å
183	D	53.5	Low	62.3	Low	94 Å²	94	93.6 Å²	93.6	50%	0.503	43%	0.431	S	S	.	.	S	Bend	trans	-90	112.1	179.3	-78.8	-17.1	0	0	0	110.5	D180 W185 Q186 K187	D180-D183 PolarHBondContact O-N 3.46Å; D183-W185 PolarHBondContact O-N 2.86Å; D183-W185 VanDerWaalsContact O-N 3.11Å; D183-Q186 HydrophobicContact CB-CB 4.13Å; D183-Q186 HydrophobicContact CB-CG 4.03Å; D183-Q186 WeakPolarHBondContact O-CB 3.49Å; D183-Q186 PolarHBondContact O-N 3.34Å; D183-K187 PolarHBondContact O-N 3.2Å
184	F	48.1	Very low	61.3	Low	143 Å²	143	93.7 Å²	93.7	63%	0.627	43%	0.43	S	S	*	.	H	α-helix	trans	-50.4	-36.7	178.1	178.5	-103.1	0	0	0	113	I188	F184-I188 HydrophobicContact CD1-CD1 4.03Å; F184-I188 HydrophobicContact CE1-CD1 3.43Å; F184-I188 VanDerWaalsContact CE1-CD1 3.43Å; F184-I188 HydrophobicContact CE1-CG1 4.49Å; F184-I188 HydrophobicContact CE2-CD1 4.35Å; F184-I188 HydrophobicContact CZ-CD1 3.62Å; F184-I188 PolarHBondContact O-N 3.23Å
185	W	49.5	Very low	60.5	Low	198 Å²	198	94.2 Å²	94.2	75%	0.75	43%	0.432	S	S	*	.	H	α-helix	trans	-72	-26.8	177.3	-63.6	105.7	0	0	0	113.8	D183 A189	D183-W185 PolarHBondContact O-N 2.86Å; D183-W185 VanDerWaalsContact O-N 3.11Å; W185-A189 WeakPolarHBondContact O-CB 3.27Å; W185-A189 PolarHBondContact O-N 2.95Å
186	Q	52.8	Low	60.1	Low	54 Å²	54	90.9 Å²	90.9	25%	0.252	42%	0.416	S	S	.	.	H	α-helix	trans	-75.4	-37.6	174.6	-78	-179.2	1.5	0	0	111.9	R178 D180 D183 A189 Q190	R178-Q186 PolarHBondContact O-OE1 2.95Å; D180-Q186 PolarHBondContact O-OE1 3.44Å; D180-Q186 VanDerWaalsContact O-OE1 3.14Å; D183-Q186 HydrophobicContact CB-CB 4.13Å; D183-Q186 HydrophobicContact CB-CG 4.03Å; D183-Q186 WeakPolarHBondContact O-CB 3.49Å; D183-Q186 PolarHBondContact O-N 3.34Å; Q186-A189 PolarHBondContact O-N 2.88Å; Q186-Q190 WeakPolarHBondContact O-CB 3.44Å; Q186-Q190 PolarHBondContact O-N 3.22Å
187	K	48.4	Very low	59.8	Low	100 Å²	100	91.5 Å²	91.5	44%	0.435	42%	0.417	S	S	.	.	H	α-helix	trans	-61.1	-45.5	170.6	-89.3	175.2	170.2	155.8	0	111.9	G181 D183 A189 Q190 E191	G181-K187 WeakPolarHBondContact O-CE 3.22Å; G181-K187 PolarHBondContact O-NZ 3.37Å; D183-K187 PolarHBondContact O-N 3.2Å; K187-A189 VanDerWaalsContact C-N 3.32Å; K187-A189 PolarHBondContact O-N 2.82Å; K187-Q190 PolarHBondContact O-N 3.07Å; K187-E191 WeakPolarHBondContact O-CG 3.29Å; K187-E191 PolarHBondContact O-N 2.69Å
188	I	44.6	Very low	59.6	Low	42 Å²	42	95.5 Å²	95.5	22%	0.215	44%	0.436	C	S	.	.	H	α-helix	trans	-64	-36.7	174.6	-70.3	-175.5	0	0	0	111.8	F184 R192	F184-I188 HydrophobicContact CD1-CD1 4.03Å; F184-I188 HydrophobicContact CE1-CD1 3.43Å; F184-I188 VanDerWaalsContact CE1-CD1 3.43Å; F184-I188 HydrophobicContact CE1-CG1 4.49Å; F184-I188 HydrophobicContact CE2-CD1 4.35Å; F184-I188 HydrophobicContact CZ-CD1 3.62Å; F184-I188 PolarHBondContact O-N 3.23Å; I188-R192 HydrophobicContact CG2-CG 4.17Å; I188-R192 WeakPolarHBondContact O-CB 3.41Å; I188-R192 WeakPolarHBondContact O-CG 3.46Å; I188-R192 PolarHBondContact O-N 3.06Å
189	A	50.7	Low	60	Low	45 Å²	45	94.7 Å²	94.7	37%	0.372	44%	0.444	S	S	.	.	H	α-helix	trans	-66.8	-39.4	176	0	0	0	0	0	112.2	W185 Q186 K187 R192 E193	W185-A189 WeakPolarHBondContact O-CB 3.27Å; W185-A189 PolarHBondContact O-N 2.95Å; Q186-A189 PolarHBondContact O-N 2.88Å; K187-A189 VanDerWaalsContact C-N 3.32Å; K187-A189 PolarHBondContact O-N 2.82Å; A189-R192 PolarHBondContact O-N 3.08Å; A189-E193 VanDerWaalsContact O-CB 3.3Å; A189-E193 WeakPolarHBondContact O-CB 3.27Å; A189-E193 PolarHBondContact O-N 3.09Å
190	Q	52.2	Low	61	Low	63 Å²	63	94.3 Å²	94.3	29%	0.294	44%	0.444	S	S	.	.	H	α-helix	trans	-64.8	-39.8	175.4	-162.7	170.1	1.3	0	0	112.4	Y179 Q186 K187	Y179-Q190 HydrophobicContact CD1-CB 3.65Å; Y179-Q190 VanDerWaalsContact CD1-CD 3.5Å; Y179-Q190 HydrophobicContact CD1-CG 3.73Å; Y179-Q190 VanDerWaalsContact CD1-OE1 3.3Å; Y179-Q190 HydrophobicContact CE1-CB 3.46Å; Y179-Q190 VanDerWaalsContact CE1-CB 3.46Å; Y179-Q190 HydrophobicContact CE1-CG 3.54Å; Y179-Q190 HydrophobicContact CE2-CG 4.39Å; Y179-Q190 HydrophobicContact CG-CG 4.23Å; Q186-Q190 WeakPolarHBondContact O-CB 3.44Å; Q186-Q190 PolarHBondContact O-N 3.22Å; K187-Q190 PolarHBondContact O-N 3.07Å
191	E	49.9	Very low	62.6	Low	140 Å²	140	90.9 Å²	90.9	65%	0.654	43%	0.426	S	S	*	.	H	α-helix	trans	-73.6	-27.8	176.2	-71.9	175.8	175.7	0	0	113.3	K187	K187-E191 WeakPolarHBondContact O-CG 3.29Å; K187-E191 PolarHBondContact O-N 2.69Å
192	R	50.1	Low	64.1	Low	207 Å²	207	90.1 Å²	90.1	78%	0.781	42%	0.418	S	S	*	.	H	α-helix	trans	-89.9	-25.3	-177.6	-76.3	-174.2	171.1	-149.5	-4.2	114.4	I188 A189 K194	I188-R192 HydrophobicContact CG2-CG 4.17Å; I188-R192 WeakPolarHBondContact O-CB 3.41Å; I188-R192 WeakPolarHBondContact O-CG 3.46Å; I188-R192 PolarHBondContact O-N 3.06Å; A189-R192 PolarHBondContact O-N 3.08Å; R192-K194 PolarHBondContact O-N 3.17Å; R192-K194 VanDerWaalsContact O-N 3.1Å
193	E	62.7	Low	65.6	Low	82 Å²	82	84.6 Å²	84.6	38%	0.383	39%	0.392	S	S	.	.			trans	-88.6	77.5	-175.3	-146.7	177.5	-176.3	0	0	110.7	K177 A189 F195	K177-E193 IonicContact NZ-OE1 2.59Å; K177-E193 PolarHBondContact NZ-OE1 3.06Å; K177-E193 IonicContact NZ-OE2 2.7Å; K177-E193 PolarHBondContact NZ-OE2 3.14Å; A189-E193 VanDerWaalsContact O-CB 3.3Å; A189-E193 WeakPolarHBondContact O-CB 3.27Å; A189-E193 PolarHBondContact O-N 3.09Å; E193-F195 HydrophobicContact CB-CE2 4.39Å; E193-F195 HydrophobicContact CB-CZ 4.12Å; E193-F195 HydrophobicContact CG-CE1 3.91Å; E193-F195 HydrophobicContact CG-CE2 4.39Å; E193-F195 HydrophobicContact CG-CZ 3.7Å; E193-F195 WeakPolarHBondContact O-CD2 3.36Å; E193-F195 VanDerWaalsContact O-CE2 3.27Å; E193-F195 WeakPolarHBondContact O-CE2 3.32Å; E193-F195 PolarHBondContact O-N 3.46Å
194	K	69.9	Low	66.7	Low	100 Å²	100	82 Å²	82	44%	0.435	38%	0.383	S	S	.	.			trans	-77	117.9	172.3	-62.7	179.7	-178.6	176.5	0	108.9	R192 E198 Y203	R192-K194 PolarHBondContact O-N 3.17Å; R192-K194 VanDerWaalsContact O-N 3.1Å; K194-E198 IonicContact NZ-OE1 3.08Å; K194-E198 PolarHBondContact NZ-OE1 2.89Å; K194-Y203 HydrophobicContact CD-CE2 4.49Å; K194-Y203 HydrophobicContact CG-CE2 4.43Å
195	F	75.8	Confident	67.8	Low	50 Å²	50	75.2 Å²	75.2	22%	0.219	35%	0.354	C	S	.	.	S	Bend	trans	-89.4	-6.8	179.4	-60	-78	0	0	0	113.3	L137 T151 E193 C208 L210	L137-F195 HydrophobicContact CD1-CE1 4.06Å; L137-F195 HydrophobicContact CD1-CZ 4.12Å; T151-F195 HydrophobicContact CG2-CD1 4.04Å; E193-F195 HydrophobicContact CB-CE2 4.39Å; E193-F195 HydrophobicContact CB-CZ 4.12Å; E193-F195 HydrophobicContact CG-CE1 3.91Å; E193-F195 HydrophobicContact CG-CE2 4.39Å; E193-F195 HydrophobicContact CG-CZ 3.7Å; E193-F195 WeakPolarHBondContact O-CD2 3.36Å; E193-F195 VanDerWaalsContact O-CE2 3.27Å; E193-F195 WeakPolarHBondContact O-CE2 3.32Å; E193-F195 PolarHBondContact O-N 3.46Å; F195-C208 PolarHBondContact N-O 3.43Å; F195-L210 HydrophobicContact CD2-CD2 3.52Å; F195-L210 HydrophobicContact CD2-CG 3.84Å; F195-L210 HydrophobicContact CE2-CD1 4.33Å; F195-L210 HydrophobicContact CE2-CD2 3.79Å; F195-L210 HydrophobicContact CE2-CG 4.09Å; F195-L210 HydrophobicContact CG-CD2 3.93Å; F195-L210 HydrophobicContact CZ-CD2 4.41Å
196	A	79.2	Confident	68.5	Low	12 Å²	12	66.7 Å²	66.7	10%	0.099	33%	0.327	C	S	.	.	S	Bend	trans	-141.2	152.4	176.9	0	0	0	0	0	109.8	P152 F202	P152-A196 HydrophobicContact CG-CB 4.16Å; A196-F202 HydrophobicContact CB-CB 3.85Å
197	D	81.7	Confident	69.2	Low	91 Å²	91	70.4 Å²	70.4	49%	0.487	35%	0.345	S	S	.	.			trans	-59.8	145.9	168.3	-65.9	-16.8	0	0	0	109.9	D199 S200 Y203 K317	D197-D199 PolarHBondContact O-N 3.08Å; D197-S200 WeakPolarHBondContact O-CB 3.26Å; D197-S200 PolarHBondContact O-N 2.89Å; D197-Y203 VanDerWaalsContact O-CB 3.28Å; D197-Y203 WeakPolarHBondContact O-CB 3.34Å; D197-K317 IonicContact OD2-NZ 2.72Å; D197-K317 PolarHBondContact OD2-NZ 3.41Å
198	E	79	Confident	70.1	Confident	120 Å²	120	67.2 Å²	67.2	56%	0.561	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-33.1	179.8	-65.3	-179.8	179.5	0	0	112.6	K194 S200 Y203	K194-E198 IonicContact NZ-OE1 3.08Å; K194-E198 PolarHBondContact NZ-OE1 2.89Å; E198-S200 PolarHBondContact O-N 3.03Å; E198-Y203 HydrophobicContact CG-CE1 4.44Å
199	D	82.5	Confident	71.7	Confident	139 Å²	139	65.2 Å²	65.2	74%	0.743	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-13.1	177	-68.2	-32.4	0	0	0	113	D197 K310	D197-D199 PolarHBondContact O-N 3.08Å; D199-K310 WeakPolarHBondContact O-CE 3.25Å; D199-K310 PolarHBondContact O-NZ 2.75Å
200	S	86.6	Confident	73.5	Confident	14 Å²	14	63.7 Å²	63.7	10%	0.098	31%	0.31	C	S	.	.	S	Bend	trans	-76	144.7	-177.7	-175.2	0	0	0	0	111.8	D197 E198 F202 Y203 D314	D197-S200 WeakPolarHBondContact O-CB 3.26Å; D197-S200 PolarHBondContact O-N 2.89Å; E198-S200 PolarHBondContact O-N 3.03Å; S200-F202 PolarHBondContact O-N 3.35Å; S200-F202 WeakPolarHBondContact OG-CD2 3.48Å; S200-F202 PolarHBondContact OG-N 3.24Å; S200-Y203 WeakPolarHBondContact O-CB 3.44Å; S200-Y203 PolarHBondContact O-N 2.63Å; S200-Y203 VanDerWaalsContact O-N 3.1Å; S200-D314 WeakPolarHBondContact CA-OD2 3.38Å; S200-D314 PolarHBondContact OG-OD2 3.04Å
201	I	87.4	Confident	75.3	Confident	1 Å²	1	60.8 Å²	60.8	1%	0.005	30%	0.296	C	S	.	.	H	α-helix	trans	-57.5	-34	172.6	-158.5	72	0	0	0	111.8	Y203 A204 L205 F307 K310 L311 D314	I201-Y203 PolarHBondContact O-N 3.43Å; I201-A204 WeakPolarHBondContact O-CB 2.84Å; I201-A204 PolarHBondContact O-N 3.4Å; I201-L205 HydrophobicContact CB-CD1 4.46Å; I201-L205 HydrophobicContact CG1-CD1 3.93Å; I201-L205 HydrophobicContact CG1-CG 4.22Å; I201-L205 HydrophobicContact CG2-CD1 4.13Å; I201-L205 WeakPolarHBondContact O-CD1 3.43Å; I201-L205 WeakPolarHBondContact O-CG 3.25Å; I201-L205 PolarHBondContact O-N 3.33Å; I201-L205 VanDerWaalsContact O-N 3.12Å; I201-F307 HydrophobicContact CD1-CD2 3.35Å; I201-F307 HydrophobicContact CD1-CE2 3.36Å; I201-F307 HydrophobicContact CD1-CG 4.49Å; I201-F307 HydrophobicContact CD1-CZ 4.49Å; I201-F307 HydrophobicContact CG1-CD2 3.86Å; I201-F307 HydrophobicContact CG1-CE2 3.36Å; I201-F307 HydrophobicContact CG1-CZ 4.11Å; I201-K310 HydrophobicContact CD1-CD 4.27Å; I201-L311 HydrophobicContact CG2-CB 4.33Å; I201-L311 HydrophobicContact CG2-CD1 3.66Å; I201-D314 HydrophobicContact CG2-CB 4.31Å; I201-D314 PolarHBondContact N-OD2 3.21Å
202	F	87.4	Confident	77.2	Confident	1 Å²	1	55 Å²	55	0%	0.004	27%	0.272	C	S	.	.	H	α-helix	trans	-62.4	-32	180	-61.1	-70.3	0	0	0	112.2	P152 F155 A196 S200 L205 G209 I211 L219 L311 D314 V315 L318	P152-F202 HydrophobicContact CB-CB 4.36Å; P152-F202 HydrophobicContact CB-CD1 4.38Å; P152-F202 HydrophobicContact CB-CD2 3.88Å; P152-F202 HydrophobicContact CB-CE2 4.28Å; P152-F202 HydrophobicContact CB-CG 3.94Å; P152-F202 HydrophobicContact CG-CB 3.77Å; P152-F202 HydrophobicContact CG-CD1 4.43Å; P152-F202 HydrophobicContact CG-CD2 4.21Å; P152-F202 HydrophobicContact CG-CG 3.89Å; F155-F202 HydrophobicContact CD1-CE1 4.12Å; F155-F202 HydrophobicContact CD1-CZ 4.13Å; F155-F202 HydrophobicContact CE1-CE1 4.46Å; F155-F202 HydrophobicContact CE1-CZ 4.44Å; A196-F202 HydrophobicContact CB-CB 3.85Å; S200-F202 PolarHBondContact O-N 3.35Å; S200-F202 WeakPolarHBondContact OG-CD2 3.48Å; S200-F202 PolarHBondContact OG-N 3.24Å; F202-L205 HydrophobicContact CD1-CD1 4.33Å; F202-L205 PolarHBondContact O-N 3.12Å; F202-G209 WeakPolarHBondContact O-CA 3.21Å; F202-I211 HydrophobicContact CD1-CD1 3.55Å; F202-I211 HydrophobicContact CD1-CG1 4.08Å; F202-I211 HydrophobicContact CE1-CD1 3.73Å; F202-L219 HydrophobicContact CD1-CD1 4.41Å; F202-L219 HydrophobicContact CE1-CD1 4.07Å; F202-L311 HydrophobicContact CE1-CD1 4.22Å; F202-L311 HydrophobicContact CZ-CD1 4.05Å; F202-D314 HydrophobicContact CE2-CB 4.18Å; F202-V315 HydrophobicContact CZ-CG2 3.96Å; F202-L318 HydrophobicContact CD2-CD1 3.93Å; F202-L318 HydrophobicContact CE2-CD1 3.42Å; F202-L318 VanDerWaalsContact CE2-CD1 3.42Å; F202-L318 HydrophobicContact CZ-CD1 4.2Å
203	Y	84.9	Confident	79	Confident	81 Å²	81	45.7 Å²	45.7	32%	0.318	24%	0.237	S	C	.	.	H	α-helix	trans	-67.8	-37.4	174.7	-169.2	-98.2	0	0	0	112.1	K194 D197 E198 S200 I201 L205	K194-Y203 HydrophobicContact CD-CE2 4.49Å; K194-Y203 HydrophobicContact CG-CE2 4.43Å; D197-Y203 VanDerWaalsContact O-CB 3.28Å; D197-Y203 WeakPolarHBondContact O-CB 3.34Å; E198-Y203 HydrophobicContact CG-CE1 4.44Å; S200-Y203 WeakPolarHBondContact O-CB 3.44Å; S200-Y203 PolarHBondContact O-N 2.63Å; S200-Y203 VanDerWaalsContact O-N 3.1Å; I201-Y203 PolarHBondContact O-N 3.43Å; Y203-L205 VanDerWaalsContact C-N 3.26Å; Y203-L205 PolarHBondContact O-N 3.27Å
204	A	78	Confident	80.2	Confident	38 Å²	38	43 Å²	43	31%	0.314	23%	0.227	S	C	.	.	H	α-helix	trans	-70.8	-20.6	175.6	0	0	0	0	0	113.6	I201 Y289	I201-A204 WeakPolarHBondContact O-CB 2.84Å; I201-A204 PolarHBondContact O-N 3.4Å; A204-Y289 HydrophobicContact CB-CD2 3.94Å; A204-Y289 HydrophobicContact CB-CE2 4.04Å
205	L	70.3	Confident	81.1	Confident	2 Å²	2	38.5 Å²	38.5	1%	0.01	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-8.7	-171.6	-68.9	168.2	0	0	0	114.7	I201 F202 Y203 L219 A285 L286 F307	I201-L205 HydrophobicContact CB-CD1 4.46Å; I201-L205 HydrophobicContact CG1-CD1 3.93Å; I201-L205 HydrophobicContact CG1-CG 4.22Å; I201-L205 HydrophobicContact CG2-CD1 4.13Å; I201-L205 WeakPolarHBondContact O-CD1 3.43Å; I201-L205 WeakPolarHBondContact O-CG 3.25Å; I201-L205 PolarHBondContact O-N 3.33Å; I201-L205 VanDerWaalsContact O-N 3.12Å; F202-L205 HydrophobicContact CD1-CD1 4.33Å; F202-L205 PolarHBondContact O-N 3.12Å; Y203-L205 VanDerWaalsContact C-N 3.26Å; Y203-L205 PolarHBondContact O-N 3.27Å; L205-L219 HydrophobicContact CD1-CD1 4.11Å; L205-L219 HydrophobicContact CD1-CD2 3.57Å; L205-L219 HydrophobicContact CD1-CG 4.39Å; L205-A285 VanDerWaalsContact O-CB 3.28Å; L205-A285 WeakPolarHBondContact O-CB 3.32Å; L205-L286 HydrophobicContact CD2-CD1 4.05Å; L205-L286 HydrophobicContact CD2-CD2 2.98Å; L205-L286 HydrophobicContact CD2-CG 3.29Å; L205-L286 HydrophobicContact CG-CD2 4.48Å; L205-F307 HydrophobicContact CD2-CE2 3.98Å; L205-F307 HydrophobicContact CD2-CZ 4.05Å
206	G	63.9	Low	81.8	Confident	19 Å²	19	36.3 Å²	36.3	20%	0.196	20%	0.198	C	C	.	.	S	Bend	trans	-170.8	-179.9	-175.7	0	0	0	0	0	115.1	C208	G206-C208 PolarHBondContact O-N 3.17Å
207	E	68.1	Low	82.3	Confident	131 Å²	131	35.7 Å²	35.7	61%	0.612	19%	0.193	S	C	*	.	G	3₁₀ helix	trans	-64.7	97.6	175.6	-62.6	-175.2	178.9	0	0	110.1	G209	E207-G209 VanDerWaalsContact C-N 3.32Å; E207-G209 PolarHBondContact O-N 2.93Å
208	C	66.6	Low	82.7	Confident	34 Å²	34	31.5 Å²	31.5	23%	0.23	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	63.7	24.8	177.2	-57.5	0	0	0	0	115.7	F195 G206	F195-C208 PolarHBondContact N-O 3.43Å; G206-C208 PolarHBondContact O-N 3.17Å
209	G	78.7	Confident	83.3	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	100.7	5.3	175.5	0	0	0	0	0	116.2	P152 F202 E207	P152-G209 WeakPolarHBondContact CD-O 3.42Å; P152-G209 WeakPolarHBondContact CG-O 3.42Å; F202-G209 WeakPolarHBondContact O-CA 3.21Å; E207-G209 VanDerWaalsContact C-N 3.32Å; E207-G209 PolarHBondContact O-N 2.93Å
210	L	87.7	Confident	83.7	Confident	12 Å²	12	19.2 Å²	19.2	6%	0.063	11%	0.109	C	C	.	.			trans	-77.6	144.2	177.4	-64.4	-179.1	0	0	0	112.1	L137 V139 Y149 F195	L137-L210 HydrophobicContact CD1-CD2 3.54Å; V139-L210 HydrophobicContact CG2-CD1 4.26Å; Y149-L210 HydrophobicContact CD1-CB 3.83Å; Y149-L210 HydrophobicContact CG-CB 4.2Å; Y149-L210 HydrophobicContact CG-CD1 4.27Å; F195-L210 HydrophobicContact CD2-CD2 3.52Å; F195-L210 HydrophobicContact CD2-CG 3.84Å; F195-L210 HydrophobicContact CE2-CD1 4.33Å; F195-L210 HydrophobicContact CE2-CD2 3.79Å; F195-L210 HydrophobicContact CE2-CG 4.09Å; F195-L210 HydrophobicContact CG-CD2 3.93Å; F195-L210 HydrophobicContact CZ-CD2 4.41Å
211	I	90.5	Very high	83.9	Confident	2 Å²	2	18.7 Å²	18.7	1%	0.01	11%	0.105	C	C	.	.	B	Isolated β-bridge	trans	-113.5	115.3	-176.6	-59.7	166.4	0	0	0	108.5	M150 F155 F202 D215 L219	M150-I211 HydrophobicContact CB-CB 4.06Å; M150-I211 PolarHBondContact N-O 3.12Å; M150-I211 PolarHBondContact O-N 3.46Å; F155-I211 HydrophobicContact CB-CD1 3.62Å; F155-I211 HydrophobicContact CD2-CD1 4.31Å; F155-I211 HydrophobicContact CG-CD1 4Å; F202-I211 HydrophobicContact CD1-CD1 3.55Å; F202-I211 HydrophobicContact CD1-CG1 4.08Å; F202-I211 HydrophobicContact CE1-CD1 3.73Å; I211-D215 HydrophobicContact CG2-CB 3.75Å; I211-L219 HydrophobicContact CD1-CD1 4.42Å; I211-L219 HydrophobicContact CG2-CD1 4.13Å
212	S	89.6	Confident	84.1	Confident	19 Å²	19	18.7 Å²	18.7	13%	0.133	11%	0.105	C	C	.	.			trans	-76.4	175.2	174.9	75.2	0	0	0	0	111.8	S214 D215 Y216	S212-S214 PolarHBondContact OG-OG 2.91Å; S212-D215 VanDerWaalsContact CB-OD2 3.29Å; S212-D215 WeakPolarHBondContact CB-OD2 3.4Å; S212-D215 PolarHBondContact N-OD2 3.42Å; S212-D215 VanDerWaalsContact N-OD2 3.07Å; S212-D215 PolarHBondContact O-N 3.39Å; S212-D215 PolarHBondContact OG-N 3.13Å; S212-D215 PolarHBondContact OG-OD2 2.97Å; S212-Y216 WeakPolarHBondContact O-CB 3.49Å; S212-Y216 PolarHBondContact O-N 2.97Å
213	F	88.8	Confident	84.3	Confident	11 Å²	11	19 Å²	19	5%	0.048	11%	0.106	C	C	.	.	H	α-helix	trans	-64.2	-39.3	175.9	178.3	-110.2	0	0	0	112.9	D128 F131 Y216 I217 H267 N275	D128-F213 HydrophobicContact CB-CZ 4.45Å; F131-F213 HydrophobicContact CB-CD2 3.7Å; F131-F213 HydrophobicContact CB-CE2 3.99Å; F131-F213 HydrophobicContact CD1-CB 4.08Å; F131-F213 AromaticContact CD1-CD2 3.72Å; F131-F213 HydrophobicContact CD1-CD2 3.72Å; F131-F213 HydrophobicContact CD1-CG 4.32Å; F131-F213 HydrophobicContact CD2-CD2 4.04Å; F131-F213 HydrophobicContact CE1-CB 3.83Å; F131-F213 HydrophobicContact CE1-CD2 4.34Å; F131-F213 HydrophobicContact CE2-CB 4.32Å; F131-F213 HydrophobicContact CG-CB 4.44Å; F131-F213 AromaticContact CG-CD2 3.55Å; F131-F213 HydrophobicContact CG-CD2 3.55Å; F131-F213 HydrophobicContact CG-CE2 4.34Å; F131-F213 HydrophobicContact CG-CG 4.47Å; F131-F213 HydrophobicContact CZ-CB 3.97Å; F213-Y216 HydrophobicContact CD2-CD1 4.5Å; F213-Y216 HydrophobicContact CE2-CD1 4.48Å; F213-Y216 WeakPolarHBondContact O-CB 3.17Å; F213-Y216 PolarHBondContact O-N 2.94Å; F213-I217 HydrophobicContact CE1-CG1 4.23Å; F213-I217 HydrophobicContact CE2-CD1 4.09Å; F213-I217 HydrophobicContact CE2-CG1 4.12Å; F213-I217 HydrophobicContact CZ-CD1 4.01Å; F213-I217 HydrophobicContact CZ-CG1 3.92Å; F213-I217 WeakPolarHBondContact O-CG1 3.46Å; F213-I217 PolarHBondContact O-N 3.09Å; F213-H267 AromaticContact CE1-CE1 3.39Å; F213-H267 WeakPolarHBondContact CE1-CE1 3.47Å; F213-H267 AromaticContact CZ-CE1 3.37Å; F213-H267 WeakPolarHBondContact CZ-CE1 3.23Å; F213-H267 AromaticContact CZ-ND1 3.63Å; F213-N275 HydrophobicContact CB-CB 4.42Å; F213-N275 HydrophobicContact CD1-CB 3.61Å; F213-N275 HydrophobicContact CD2-CB 4.18Å; F213-N275 HydrophobicContact CE1-CB 3.84Å; F213-N275 HydrophobicContact CE2-CB 4.39Å; F213-N275 HydrophobicContact CG-CB 3.78Å; F213-N275 HydrophobicContact CZ-CB 4.21Å
214	S	86.8	Confident	84.4	Confident	27 Å²	27	15.8 Å²	15.8	19%	0.189	10%	0.096	C	C	.	.	H	α-helix	trans	-66.4	-42.2	177.2	52.9	0	0	0	0	110.9	S212 Y216 I217 F218	S212-S214 PolarHBondContact OG-OG 2.91Å; S214-Y216 VanDerWaalsContact C-N 3.34Å; S214-Y216 PolarHBondContact O-N 3.29Å; S214-I217 PolarHBondContact O-N 2.95Å; S214-F218 PolarHBondContact O-N 2.95Å
215	D	89.1	Confident	84.9	Confident	5 Å²	5	14.4 Å²	14.4	3%	0.027	8%	0.084	C	C	.	.	H	α-helix	trans	-59.8	-45	174.4	-60.9	-43.7	0	0	0	111.3	I211 S212 I217 F218 L219 S283 L286	I211-D215 HydrophobicContact CG2-CB 3.75Å; S212-D215 VanDerWaalsContact CB-OD2 3.29Å; S212-D215 WeakPolarHBondContact CB-OD2 3.4Å; S212-D215 PolarHBondContact N-OD2 3.42Å; S212-D215 VanDerWaalsContact N-OD2 3.07Å; S212-D215 PolarHBondContact O-N 3.39Å; S212-D215 PolarHBondContact OG-N 3.13Å; S212-D215 PolarHBondContact OG-OD2 2.97Å; D215-I217 VanDerWaalsContact C-N 3.3Å; D215-I217 PolarHBondContact O-N 2.78Å; D215-F218 PolarHBondContact O-N 3.39Å; D215-F218 VanDerWaalsContact O-N 3.14Å; D215-L219 WeakPolarHBondContact O-CB 3.46Å; D215-L219 WeakPolarHBondContact O-CG 3.38Å; D215-L219 PolarHBondContact O-N 3.33Å; D215-S283 WeakPolarHBondContact OD1-CB 3.32Å; D215-S283 PolarHBondContact OD1-OG 3.02Å; D215-L286 VanDerWaalsContact OD1-CD1 3.24Å; D215-L286 WeakPolarHBondContact OD1-CD1 3.46Å
216	Y	91.3	Very high	85.8	Confident	3 Å²	3	17.2 Å²	17.2	1%	0.012	10%	0.102	C	C	.	.	H	α-helix	trans	-54.9	-46.1	176.8	171.9	-106.8	0	0	0	112.1	P127 I130 F131 M150 F155 S158 S212 F213 S214 T220	P127-Y216 HydrophobicContact CB-CE1 4.39Å; I130-Y216 VanDerWaalsContact CG2-OH 3.31Å; I130-Y216 WeakPolarHBondContact CG2-OH 3.49Å; F131-Y216 HydrophobicContact CB-CD1 4.18Å; F131-Y216 HydrophobicContact CB-CE1 4.37Å; F131-Y216 HydrophobicContact CD2-CD1 4Å; F131-Y216 HydrophobicContact CD2-CD2 4.42Å; F131-Y216 AromaticContact CD2-CG 3.79Å; F131-Y216 HydrophobicContact CD2-CG 3.79Å; F131-Y216 HydrophobicContact CE2-CG 4.48Å; M150-Y216 HydrophobicContact SD-CD2 3.94Å; M150-Y216 HydrophobicContact SD-CE2 4.38Å; F155-Y216 AromaticContact CD2-CD2 3.69Å; F155-Y216 HydrophobicContact CD2-CD2 3.69Å; F155-Y216 HydrophobicContact CD2-CE2 4.11Å; F155-Y216 AromaticContact CE2-CD2 3.72Å; F155-Y216 HydrophobicContact CE2-CD2 3.72Å; F155-Y216 HydrophobicContact CE2-CE2 4.07Å; S158-Y216 WeakPolarHBondContact OG-CE2 3.49Å; S212-Y216 WeakPolarHBondContact O-CB 3.49Å; S212-Y216 PolarHBondContact O-N 2.97Å; F213-Y216 HydrophobicContact CD2-CD1 4.5Å; F213-Y216 HydrophobicContact CE2-CD1 4.48Å; F213-Y216 WeakPolarHBondContact O-CB 3.17Å; F213-Y216 PolarHBondContact O-N 2.94Å; S214-Y216 VanDerWaalsContact C-N 3.34Å; S214-Y216 PolarHBondContact O-N 3.29Å; Y216-T220 HydrophobicContact CD2-CG2 4.1Å; Y216-T220 HydrophobicContact CE2-CG2 3.65Å; Y216-T220 WeakPolarHBondContact O-CB 3.36Å; Y216-T220 VanDerWaalsContact O-CG2 3.3Å; Y216-T220 WeakPolarHBondContact O-CG2 3.28Å; Y216-T220 PolarHBondContact O-N 3.12Å; Y216-T220 PolarHBondContact O-OG1 3.21Å
217	I	89.7	Confident	87.1	Confident	0 Å²	0	20 Å²	20	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-66.4	-42.2	177.8	-62.5	-62.5	0	0	0	111.1	P127 F213 S214 D215 T220 T221 R258	P127-I217 HydrophobicContact CB-CD1 3.5Å; P127-I217 VanDerWaalsContact CB-CD1 3.5Å; P127-I217 HydrophobicContact CG-CD1 4.23Å; F213-I217 HydrophobicContact CE1-CG1 4.23Å; F213-I217 HydrophobicContact CE2-CD1 4.09Å; F213-I217 HydrophobicContact CE2-CG1 4.12Å; F213-I217 HydrophobicContact CZ-CD1 4.01Å; F213-I217 HydrophobicContact CZ-CG1 3.92Å; F213-I217 WeakPolarHBondContact O-CG1 3.46Å; F213-I217 PolarHBondContact O-N 3.09Å; S214-I217 PolarHBondContact O-N 2.95Å; D215-I217 VanDerWaalsContact C-N 3.3Å; D215-I217 PolarHBondContact O-N 2.78Å; I217-T220 PolarHBondContact O-OG1 3.25Å; I217-T220 VanDerWaalsContact O-OG1 3.08Å; I217-T221 WeakPolarHBondContact O-CB 3.42Å; I217-T221 PolarHBondContact O-N 2.86Å; I217-T221 PolarHBondContact O-OG1 2.98Å; I217-R258 HydrophobicContact CG2-CG 4.34Å
218	F	89.9	Confident	88.1	Confident	3 Å²	3	22 Å²	22	1%	0.013	11%	0.112	C	C	.	.	H	α-helix	trans	-62	-53.8	177.4	175.3	-101.7	0	0	0	111.7	S214 D215 T220 T221 V222 F250 Q254 L286 F290 F304 F307	S214-F218 PolarHBondContact O-N 2.95Å; D215-F218 PolarHBondContact O-N 3.39Å; D215-F218 VanDerWaalsContact O-N 3.14Å; F218-T220 PolarHBondContact O-N 3.22Å; F218-T221 WeakPolarHBondContact O-CA 3.42Å; F218-T221 WeakPolarHBondContact O-CB 3.48Å; F218-T221 PolarHBondContact O-N 2.71Å; F218-V222 HydrophobicContact CD1-CG2 4.35Å; F218-V222 HydrophobicContact CD2-CG2 4.28Å; F218-V222 HydrophobicContact CE1-CG2 3.93Å; F218-V222 HydrophobicContact CE2-CG2 3.85Å; F218-V222 HydrophobicContact CZ-CG2 3.67Å; F218-V222 WeakPolarHBondContact O-CG2 3.32Å; F218-V222 PolarHBondContact O-N 3.28Å; F218-F250 HydrophobicContact CE2-CE1 4.2Å; F218-F250 AromaticContact CE2-CZ 3.76Å; F218-F250 HydrophobicContact CE2-CZ 3.76Å; F218-F250 HydrophobicContact CZ-CZ 4.12Å; F218-Q254 HydrophobicContact CD2-CG 4.1Å; F218-Q254 HydrophobicContact CE2-CG 4.48Å; F218-L286 HydrophobicContact CB-CD1 4.24Å; F218-L286 HydrophobicContact CD1-CD1 3.38Å; F218-L286 HydrophobicContact CD1-CD2 3.96Å; F218-L286 HydrophobicContact CD1-CG 4.36Å; F218-L286 HydrophobicContact CE1-CD1 3.85Å; F218-L286 HydrophobicContact CE1-CD2 3.52Å; F218-L286 HydrophobicContact CE1-CG 4.38Å; F218-L286 HydrophobicContact CG-CD1 3.87Å; F218-L286 HydrophobicContact CZ-CD2 4.2Å; F218-F290 HydrophobicContact CE1-CE2 4.36Å; F218-F290 AromaticContact CZ-CE2 3.87Å; F218-F290 HydrophobicContact CZ-CE2 3.87Å; F218-F290 HydrophobicContact CZ-CZ 4.32Å; F218-F304 HydrophobicContact CZ-CE2 4.14Å; F218-F307 AromaticContact CE1-CE1 3.73Å; F218-F307 HydrophobicContact CE1-CE1 3.73Å; F218-F307 AromaticContact CE1-CZ 3.81Å; F218-F307 HydrophobicContact CE1-CZ 3.81Å; F218-F307 HydrophobicContact CZ-CE1 4.14Å
219	L	91.9	Very high	89.2	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-62.2	-41.5	-177.5	-63.5	172.4	0	0	0	112	F155 F202 L205 I211 D215 T221 V222 L223 F307 L311	F155-L219 HydrophobicContact CE2-CB 3.89Å; F155-L219 HydrophobicContact CE2-CD1 4.35Å; F155-L219 HydrophobicContact CZ-CB 3.71Å; F155-L219 HydrophobicContact CZ-CD1 4.49Å; F202-L219 HydrophobicContact CD1-CD1 4.41Å; F202-L219 HydrophobicContact CE1-CD1 4.07Å; L205-L219 HydrophobicContact CD1-CD1 4.11Å; L205-L219 HydrophobicContact CD1-CD2 3.57Å; L205-L219 HydrophobicContact CD1-CG 4.39Å; I211-L219 HydrophobicContact CD1-CD1 4.42Å; I211-L219 HydrophobicContact CG2-CD1 4.13Å; D215-L219 WeakPolarHBondContact O-CB 3.46Å; D215-L219 WeakPolarHBondContact O-CG 3.38Å; D215-L219 PolarHBondContact O-N 3.33Å; L219-T221 VanDerWaalsContact C-N 3.31Å; L219-T221 PolarHBondContact O-N 3.34Å; L219-V222 PolarHBondContact O-N 3.19Å; L219-L223 WeakPolarHBondContact O-CB 3.48Å; L219-L223 VanDerWaalsContact O-CG 3.29Å; L219-L223 WeakPolarHBondContact O-CG 3.25Å; L219-L223 PolarHBondContact O-N 2.65Å; L219-F307 HydrophobicContact CD2-CZ 4.31Å; L219-L311 HydrophobicContact CB-CD2 4.47Å; L219-L311 HydrophobicContact CD2-CD1 3.86Å; L219-L311 HydrophobicContact CD2-CD2 3.66Å; L219-L311 HydrophobicContact CD2-CG 4.42Å
220	T	91.3	Very high	89.8	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-65.9	-33.9	174.7	51.5	0	0	0	0	112.5	F155 Y216 I217 F218 S224	F155-T220 HydrophobicContact CE2-CG2 3.91Å; F155-T220 HydrophobicContact CZ-CG2 4.2Å; Y216-T220 HydrophobicContact CD2-CG2 4.1Å; Y216-T220 HydrophobicContact CE2-CG2 3.65Å; Y216-T220 WeakPolarHBondContact O-CB 3.36Å; Y216-T220 VanDerWaalsContact O-CG2 3.3Å; Y216-T220 WeakPolarHBondContact O-CG2 3.28Å; Y216-T220 PolarHBondContact O-N 3.12Å; Y216-T220 PolarHBondContact O-OG1 3.21Å; I217-T220 PolarHBondContact O-OG1 3.25Å; I217-T220 VanDerWaalsContact O-OG1 3.08Å; F218-T220 PolarHBondContact O-N 3.22Å; T220-S224 WeakPolarHBondContact O-CB 3.48Å; T220-S224 PolarHBondContact O-N 3.23Å; T220-S224 VanDerWaalsContact O-N 3.14Å; T220-S224 PolarHBondContact O-OG 3.42Å
221	T	90.5	Very high	90	Very high	3 Å²	3	25.9 Å²	25.9	2%	0.018	13%	0.128	C	C	.	.	H	α-helix	trans	-66.6	-46.8	174.6	-59.4	0	0	0	0	110.9	I217 F218 L219 S224 T225 I257 R258 T261	I217-T221 WeakPolarHBondContact O-CB 3.42Å; I217-T221 PolarHBondContact O-N 2.86Å; I217-T221 PolarHBondContact O-OG1 2.98Å; F218-T221 WeakPolarHBondContact O-CA 3.42Å; F218-T221 WeakPolarHBondContact O-CB 3.48Å; F218-T221 PolarHBondContact O-N 2.71Å; L219-T221 VanDerWaalsContact C-N 3.31Å; L219-T221 PolarHBondContact O-N 3.34Å; T221-S224 PolarHBondContact O-N 2.95Å; T221-S224 PolarHBondContact O-OG 3.14Å; T221-T225 WeakPolarHBondContact O-CB 3.3Å; T221-T225 PolarHBondContact O-N 3.39Å; T221-T225 PolarHBondContact O-OG1 3.07Å; T221-I257 HydrophobicContact CG2-CB 4.46Å; T221-I257 HydrophobicContact CG2-CG2 3.69Å; T221-R258 HydrophobicContact CG2-CB 4.25Å; T221-T261 HydrophobicContact CG2-CG2 3.95Å
222	V	91.4	Very high	90	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.006	15%	0.148	C	C	.	.	H	α-helix	trans	-64.7	-40.2	178.3	176	0	0	0	0	112	F218 L219 S224 F230 F304 F307 Q308 L311	F218-V222 HydrophobicContact CD1-CG2 4.35Å; F218-V222 HydrophobicContact CD2-CG2 4.28Å; F218-V222 HydrophobicContact CE1-CG2 3.93Å; F218-V222 HydrophobicContact CE2-CG2 3.85Å; F218-V222 HydrophobicContact CZ-CG2 3.67Å; F218-V222 WeakPolarHBondContact O-CG2 3.32Å; F218-V222 PolarHBondContact O-N 3.28Å; L219-V222 PolarHBondContact O-N 3.19Å; V222-S224 PolarHBondContact O-N 3.29Å; V222-F230 HydrophobicContact CG2-CZ 4.24Å; V222-F304 HydrophobicContact CG2-CZ 4.04Å; V222-F307 HydrophobicContact CG1-CE1 4.31Å; V222-Q308 HydrophobicContact CG1-CB 3.96Å; V222-Q308 HydrophobicContact CG1-CG 3.75Å; V222-Q308 PolarHBondContact O-NE2 2.88Å; V222-L311 HydrophobicContact CB-CD2 4.22Å; V222-L311 HydrophobicContact CG1-CD2 3.97Å
223	L	90.6	Very high	90	Very high	7 Å²	7	29.1 Å²	29.1	4%	0.037	14%	0.144	C	C	.	.	H	α-helix	trans	-70.7	-28.5	178.8	-76.1	172.8	0	0	0	114.1	F155 L219 L311 Q312 V315	F155-L223 HydrophobicContact CE1-CD1 3.68Å; F155-L223 HydrophobicContact CZ-CD1 3.67Å; L219-L223 WeakPolarHBondContact O-CB 3.48Å; L219-L223 VanDerWaalsContact O-CG 3.29Å; L219-L223 WeakPolarHBondContact O-CG 3.25Å; L219-L223 PolarHBondContact O-N 2.65Å; L223-L311 HydrophobicContact CD2-CD2 4.15Å; L223-L311 HydrophobicContact CD2-CG 3.97Å; L223-L311 HydrophobicContact CG-CD2 3.95Å; L223-L311 HydrophobicContact CG-CG 4.21Å; L223-Q312 HydrophobicContact CD2-CG 3.78Å; L223-V315 HydrophobicContact CD1-CG2 3.99Å; L223-V315 HydrophobicContact CD2-CG2 4.31Å
224	S	87.9	Confident	90.1	Very high	14 Å²	14	28.8 Å²	28.8	10%	0.098	14%	0.143	C	C	.	.	H	α-helix	trans	-93.4	-8.1	-177	59.1	0	0	0	0	114.2	T220 T221 V222	T220-S224 WeakPolarHBondContact O-CB 3.48Å; T220-S224 PolarHBondContact O-N 3.23Å; T220-S224 VanDerWaalsContact O-N 3.14Å; T220-S224 PolarHBondContact O-OG 3.42Å; T221-S224 PolarHBondContact O-N 2.95Å; T221-S224 PolarHBondContact O-OG 3.14Å; V222-S224 PolarHBondContact O-N 3.29Å
225	T	89.3	Confident	90.1	Very high	10 Å²	10	35 Å²	35	6%	0.061	17%	0.166	C	C	.	.	S	Bend	trans	-104	126.5	-175.4	-57.6	0	0	0	0	110.8	T221 N229 F230 I257 Q308	T221-T225 WeakPolarHBondContact O-CB 3.3Å; T221-T225 PolarHBondContact O-N 3.39Å; T221-T225 PolarHBondContact O-OG1 3.07Å; T225-N229 HydrophobicContact CG2-CB 3.64Å; T225-F230 HydrophobicContact CG2-CD2 4Å; T225-F230 HydrophobicContact CG2-CE1 4.5Å; T225-F230 HydrophobicContact CG2-CE2 3.63Å; T225-F230 HydrophobicContact CG2-CZ 3.9Å; T225-I257 HydrophobicContact CG2-CD1 4.4Å; T225-I257 HydrophobicContact CG2-CG2 3.66Å; T225-I257 VanDerWaalsContact OG1-CG2 3.29Å; T225-I257 WeakPolarHBondContact OG1-CG2 3.43Å; T225-Q308 PolarHBondContact O-NE2 2.86Å
226	P	89.2	Confident	90	Very high	60 Å²	60	41.1 Å²	41.1	39%	0.39	20%	0.197	S	C	.	.			trans	-61.9	149.9	175.1	-23.2	34.1	0	0	0	113.1	R228 N229 M450	P226-R228 VanDerWaalsContact C-N 3.27Å; P226-R228 PolarHBondContact O-N 3.17Å; P226-N229 WeakPolarHBondContact O-CB 3.5Å; P226-N229 PolarHBondContact O-N 3.21Å; P226-M450 HydrophobicContact CG-CE 4.39Å
227	Q	89.4	Confident	89.7	Confident	79 Å²	79	43 Å²	43	37%	0.369	21%	0.205	S	C	.	.	H	α-helix	trans	-52.7	-43.3	179.2	-70.1	-179.6	-16.6	0	0	112.7	N229 F230 E231 L305 Q308	Q227-N229 PolarHBondContact O-N 3.1Å; Q227-F230 WeakPolarHBondContact O-CB 3.31Å; Q227-F230 PolarHBondContact O-N 3.46Å; Q227-E231 PolarHBondContact O-N 3.34Å; Q227-L305 HydrophobicContact CB-CD2 3.95Å; Q227-L305 HydrophobicContact CG-CD2 4.01Å; Q227-Q308 VanDerWaalsContact CG-OE1 3.3Å
228	R	89.8	Confident	89.5	Confident	171 Å²	171	44.1 Å²	44.1	65%	0.645	21%	0.211	S	C	*	.	H	α-helix	trans	-60.1	-31.5	-179.1	-171.7	160.6	-177.6	96.7	-4.9	113.5	P226 F230 E231 I232	P226-R228 VanDerWaalsContact C-N 3.27Å; P226-R228 PolarHBondContact O-N 3.17Å; R228-F230 VanDerWaalsContact C-N 3.33Å; R228-E231 PolarHBondContact O-N 2.9Å; R228-I232 HydrophobicContact CG-CD1 3.99Å; R228-I232 HydrophobicContact CG-CG1 4.46Å; R228-I232 WeakPolarHBondContact O-CD1 3.48Å; R228-I232 VanDerWaalsContact O-CG1 3.25Å; R228-I232 WeakPolarHBondContact O-CG1 3.43Å; R228-I232 PolarHBondContact O-N 3.33Å
229	N	90.8	Very high	88.7	Confident	63 Å²	63	50.7 Å²	50.7	34%	0.337	25%	0.246	S	C	.	.	H	α-helix	trans	-68.8	-36.4	177	-70.6	25.3	0	0	0	110.9	T225 P226 Q227 A233 I257	T225-N229 HydrophobicContact CG2-CB 3.64Å; P226-N229 WeakPolarHBondContact O-CB 3.5Å; P226-N229 PolarHBondContact O-N 3.21Å; Q227-N229 PolarHBondContact O-N 3.1Å; N229-A233 VanDerWaalsContact O-CB 3.3Å; N229-A233 WeakPolarHBondContact O-CB 3.45Å; N229-A233 PolarHBondContact O-N 3.45Å; N229-I257 HydrophobicContact CB-CD1 4.28Å
230	F	90.9	Very high	87.8	Confident	6 Å²	6	55 Å²	55	3%	0.026	27%	0.269	C	S	.	.	H	α-helix	trans	-70	-42.2	173.6	-72.4	-63.9	0	0	0	112	V222 T225 Q227 R228 I232 A233 F234 I257 I301 F304 L305	V222-F230 HydrophobicContact CG2-CZ 4.24Å; T225-F230 HydrophobicContact CG2-CD2 4Å; T225-F230 HydrophobicContact CG2-CE1 4.5Å; T225-F230 HydrophobicContact CG2-CE2 3.63Å; T225-F230 HydrophobicContact CG2-CZ 3.9Å; Q227-F230 WeakPolarHBondContact O-CB 3.31Å; Q227-F230 PolarHBondContact O-N 3.46Å; R228-F230 VanDerWaalsContact C-N 3.33Å; F230-I232 VanDerWaalsContact C-N 3.29Å; F230-I232 PolarHBondContact O-N 3.41Å; F230-A233 PolarHBondContact O-N 2.95Å; F230-F234 HydrophobicContact CD1-CE2 4.47Å; F230-F234 WeakPolarHBondContact O-CB 3.45Å; F230-F234 VanDerWaalsContact O-CD2 3.28Å; F230-F234 WeakPolarHBondContact O-CD2 3.38Å; F230-F234 PolarHBondContact O-N 2.96Å; F230-I257 HydrophobicContact CD1-CG1 4.35Å; F230-I257 HydrophobicContact CE1-CB 4.42Å; F230-I257 HydrophobicContact CE1-CG1 4.11Å; F230-I257 HydrophobicContact CE1-CG2 4.04Å; F230-I257 HydrophobicContact CZ-CG2 4.12Å; F230-I301 HydrophobicContact CB-CD1 4.33Å; F230-F304 HydrophobicContact CB-CD1 4.39Å; F230-F304 HydrophobicContact CB-CE1 4.19Å; F230-F304 HydrophobicContact CD1-CD1 4.35Å; F230-F304 AromaticContact CD1-CE1 3.48Å; F230-F304 HydrophobicContact CD1-CE1 3.48Å; F230-F304 VanDerWaalsContact CD1-CE1 3.48Å; F230-F304 HydrophobicContact CD1-CZ 4.09Å; F230-F304 AromaticContact CD2-CE1 3.87Å; F230-F304 HydrophobicContact CD2-CE1 3.87Å; F230-F304 AromaticContact CE1-CE1 3.67Å; F230-F304 HydrophobicContact CE1-CE1 3.67Å; F230-F304 AromaticContact CE1-CZ 3.85Å; F230-F304 HydrophobicContact CE1-CZ 3.85Å; F230-F304 HydrophobicContact CE2-CE1 4.03Å; F230-F304 HydrophobicContact CG-CD1 4.27Å; F230-F304 AromaticContact CG-CE1 3.58Å; F230-F304 HydrophobicContact CG-CE1 3.58Å; F230-F304 AromaticContact CZ-CE1 3.95Å; F230-F304 HydrophobicContact CZ-CE1 3.95Å; F230-F304 HydrophobicContact CZ-CZ 4.09Å; F230-L305 HydrophobicContact CB-CD2 4.43Å
231	E	90.5	Very high	87	Confident	59 Å²	59	58 Å²	58	28%	0.276	30%	0.299	S	S	.	.	H	α-helix	trans	-57.1	-43.4	174.8	-69	177.1	178.8	0	0	112.3	Q227 R228 K235 I301 L305	Q227-E231 PolarHBondContact O-N 3.34Å; R228-E231 PolarHBondContact O-N 2.9Å; E231-K235 WeakPolarHBondContact O-CB 3.36Å; E231-K235 WeakPolarHBondContact O-CD 3.3Å; E231-K235 VanDerWaalsContact O-CG 3.23Å; E231-K235 WeakPolarHBondContact O-CG 3.45Å; E231-K235 PolarHBondContact O-N 2.79Å; E231-I301 HydrophobicContact CG-CD1 4.46Å; E231-I301 HydrophobicContact CG-CG1 4.33Å; E231-L305 HydrophobicContact CG-CD1 4.06Å
232	I	91.1	Very high	86.5	Confident	82 Å²	82	61.3 Å²	61.3	42%	0.421	32%	0.317	S	S	.	.	H	α-helix	trans	-67.6	-45.6	177.3	-66.6	165.5	0	0	0	110.1	R228 F230 K235 M236	R228-I232 HydrophobicContact CG-CD1 3.99Å; R228-I232 HydrophobicContact CG-CG1 4.46Å; R228-I232 WeakPolarHBondContact O-CD1 3.48Å; R228-I232 VanDerWaalsContact O-CG1 3.25Å; R228-I232 WeakPolarHBondContact O-CG1 3.43Å; R228-I232 PolarHBondContact O-N 3.33Å; F230-I232 VanDerWaalsContact C-N 3.29Å; F230-I232 PolarHBondContact O-N 3.41Å; I232-K235 PolarHBondContact O-N 3.02Å; I232-M236 HydrophobicContact CG2-CG 4.2Å; I232-M236 HydrophobicContact CG2-SD 3.9Å; I232-M236 WeakPolarHBondContact O-CB 3.46Å; I232-M236 WeakPolarHBondContact O-CG 3.48Å; I232-M236 PolarHBondContact O-N 3.44Å
233	A	90.4	Very high	85.8	Confident	7 Å²	7	63.1 Å²	63.1	6%	0.058	34%	0.335	C	S	.	.	H	α-helix	trans	-62.5	-48.9	-178.8	0	0	0	0	0	111.7	N229 F230 K235 M236 F237 V253 I257	N229-A233 VanDerWaalsContact O-CB 3.3Å; N229-A233 WeakPolarHBondContact O-CB 3.45Å; N229-A233 PolarHBondContact O-N 3.45Å; F230-A233 PolarHBondContact O-N 2.95Å; A233-K235 VanDerWaalsContact C-N 3.31Å; A233-K235 PolarHBondContact O-N 3.08Å; A233-M236 PolarHBondContact O-N 3.31Å; A233-F237 HydrophobicContact CB-CD2 4.48Å; A233-F237 WeakPolarHBondContact O-CD2 3.21Å; A233-F237 PolarHBondContact O-N 3.44Å; A233-V253 HydrophobicContact CB-CG1 3.86Å; A233-V253 HydrophobicContact CB-CG2 4.38Å; A233-I257 HydrophobicContact CB-CD1 4.18Å; A233-I257 HydrophobicContact CB-CG1 4.39Å
234	F	89.5	Confident	85.7	Confident	5 Å²	5	66 Å²	66	2%	0.022	35%	0.349	C	S	.	.	H	α-helix	trans	-57.2	-45.1	176.6	-86	-116.7	0	0	0	111	F230 M236 F237 D238 V245 F250 V253 L299 I301 F304	F230-F234 HydrophobicContact CD1-CE2 4.47Å; F230-F234 WeakPolarHBondContact O-CB 3.45Å; F230-F234 VanDerWaalsContact O-CD2 3.28Å; F230-F234 WeakPolarHBondContact O-CD2 3.38Å; F230-F234 PolarHBondContact O-N 2.96Å; F234-M236 VanDerWaalsContact C-N 3.3Å; F234-M236 PolarHBondContact O-N 3.06Å; F234-F237 PolarHBondContact O-N 3.2Å; F234-D238 WeakPolarHBondContact O-CB 3.49Å; F234-D238 PolarHBondContact O-N 2.99Å; F234-V245 HydrophobicContact CB-CG2 4.23Å; F234-V245 HydrophobicContact CD1-CB 4.04Å; F234-V245 HydrophobicContact CD1-CG2 3.34Å; F234-V245 HydrophobicContact CE1-CB 4Å; F234-V245 HydrophobicContact CE1-CG2 3.84Å; F234-V245 HydrophobicContact CG-CG2 3.94Å; F234-F250 AromaticContact CZ-CD2 3.99Å; F234-F250 HydrophobicContact CZ-CD2 3.99Å; F234-F250 HydrophobicContact CZ-CE2 4.06Å; F234-V253 HydrophobicContact CD2-CG1 4.15Å; F234-V253 HydrophobicContact CE2-CG1 4.01Å; F234-L299 HydrophobicContact CE1-CD2 4.12Å; F234-L299 HydrophobicContact CE1-CG 4.15Å; F234-L299 HydrophobicContact CZ-CD2 3.96Å; F234-L299 HydrophobicContact CZ-CG 4.46Å; F234-I301 HydrophobicContact CB-CB 4.31Å; F234-I301 HydrophobicContact CB-CD1 4.02Å; F234-I301 HydrophobicContact CB-CG1 4.45Å; F234-I301 HydrophobicContact CD1-CB 3.99Å; F234-I301 HydrophobicContact CD1-CD1 4.1Å; F234-I301 HydrophobicContact CD2-CD1 3.86Å; F234-I301 HydrophobicContact CE2-CD1 4.36Å; F234-I301 HydrophobicContact CG-CB 4.27Å; F234-I301 HydrophobicContact CG-CD1 3.72Å; F234-I301 HydrophobicContact CG-CG1 4.47Å; F234-F304 HydrophobicContact CE1-CB 4.24Å; F234-F304 AromaticContact CE2-CD1 3.9Å; F234-F304 HydrophobicContact CE2-CD1 3.9Å; F234-F304 HydrophobicContact CE2-CE1 4.27Å; F234-F304 HydrophobicContact CE2-CG 4.12Å; F234-F304 HydrophobicContact CZ-CB 3.85Å; F234-F304 AromaticContact CZ-CD1 3.96Å; F234-F304 HydrophobicContact CZ-CD1 3.96Å; F234-F304 HydrophobicContact CZ-CD2 4.15Å; F234-F304 AromaticContact CZ-CG 3.69Å; F234-F304 HydrophobicContact CZ-CG 3.69Å
235	K	87.8	Confident	85.7	Confident	156 Å²	156	65.4 Å²	65.4	68%	0.678	34%	0.344	S	S	*	.	H	α-helix	trans	-67.9	-23.9	177.1	-71.9	174.1	-178.3	175.3	0	114.8	E231 I232 A233	E231-K235 WeakPolarHBondContact O-CB 3.36Å; E231-K235 WeakPolarHBondContact O-CD 3.3Å; E231-K235 VanDerWaalsContact O-CG 3.23Å; E231-K235 WeakPolarHBondContact O-CG 3.45Å; E231-K235 PolarHBondContact O-N 2.79Å; I232-K235 PolarHBondContact O-N 3.02Å; A233-K235 VanDerWaalsContact C-N 3.31Å; A233-K235 PolarHBondContact O-N 3.08Å
236	M	87	Confident	85.7	Confident	134 Å²	134	67.7 Å²	67.7	66%	0.66	36%	0.356	S	S	*	.	H	α-helix	trans	-86.6	-29.6	179	-79.4	-169.4	69	0	0	112.9	I232 A233 F234	I232-M236 HydrophobicContact CG2-CG 4.2Å; I232-M236 HydrophobicContact CG2-SD 3.9Å; I232-M236 WeakPolarHBondContact O-CB 3.46Å; I232-M236 WeakPolarHBondContact O-CG 3.48Å; I232-M236 PolarHBondContact O-N 3.44Å; A233-M236 PolarHBondContact O-N 3.31Å; F234-M236 VanDerWaalsContact C-N 3.3Å; F234-M236 PolarHBondContact O-N 3.06Å
237	F	84.5	Confident	85.7	Confident	43 Å²	43	66.7 Å²	66.7	19%	0.189	35%	0.347	C	S	.	.	H	α-helix	trans	-102.7	-10.7	-175.8	-71.7	-72.4	0	0	0	114.1	A233 F234 L239 Q252 V253 I256	A233-F237 HydrophobicContact CB-CD2 4.48Å; A233-F237 WeakPolarHBondContact O-CD2 3.21Å; A233-F237 PolarHBondContact O-N 3.44Å; F234-F237 PolarHBondContact O-N 3.2Å; F237-L239 PolarHBondContact O-N 3.06Å; F237-Q252 HydrophobicContact CD1-CB 4.29Å; F237-V253 HydrophobicContact CB-CG2 3.72Å; F237-V253 HydrophobicContact CD2-CG2 3.77Å; F237-V253 HydrophobicContact CG-CG2 3.95Å; F237-I256 HydrophobicContact CD2-CD1 4.45Å; F237-I256 HydrophobicContact CE1-CD1 3.58Å; F237-I256 HydrophobicContact CE2-CD1 3.47Å; F237-I256 VanDerWaalsContact CE2-CD1 3.47Å; F237-I256 HydrophobicContact CZ-CD1 2.98Å; F237-I256 HydrophobicContact CZ-CG1 4.44Å
238	D	84.8	Confident	85.5	Confident	23 Å²	23	69.7 Å²	69.7	12%	0.123	36%	0.362	C	S	.	.			trans	-66.4	92.7	163.8	170.8	10.7	0	0	0	109.2	F234 N240 G241 D242 G243	F234-D238 WeakPolarHBondContact O-CB 3.49Å; F234-D238 PolarHBondContact O-N 2.99Å; D238-N240 VanDerWaalsContact C-N 3.32Å; D238-N240 PolarHBondContact OD1-OD1 3.36Å; D238-G241 VanDerWaalsContact OD1-CA 3.23Å; D238-G241 WeakPolarHBondContact OD1-CA 3.44Å; D238-G241 PolarHBondContact OD1-N 3.46Å; D238-G241 WeakPolarHBondContact OD2-CA 3.33Å; D238-D242 PolarHBondContact OD1-N 3.34Å; D238-D242 VanDerWaalsContact OD1-N 3.13Å; D238-D242 PolarHBondContact OD2-N 3.04Å; D238-G243 WeakPolarHBondContact OD2-CA 3.46Å; D238-G243 PolarHBondContact OD2-N 3.08Å
239	L	73.1	Confident	85.4	Confident	142 Å²	142	62.2 Å²	62.2	74%	0.743	33%	0.334	S	S	*	.	S	Bend	trans	-73.4	-26.3	-172.8	-68.2	174.9	0	0	0	112.7	F237 E249	F237-L239 PolarHBondContact O-N 3.06Å; L239-E249 PolarHBondContact N-OE1 3.23Å
240	N	74.4	Confident	85.3	Confident	91 Å²	91	59.4 Å²	59.4	49%	0.487	32%	0.319	S	S	.	.	S	Bend	trans	-94.9	-9.9	-179	54.4	-33.9	0	0	0	113.2	D238 D242	D238-N240 VanDerWaalsContact C-N 3.32Å; D238-N240 PolarHBondContact OD1-OD1 3.36Å; N240-D242 VanDerWaalsContact C-N 3.28Å; N240-D242 PolarHBondContact ND2-OD1 2.59Å; N240-D242 PolarHBondContact ND2-OD2 2.89Å; N240-D242 PolarHBondContact O-N 3.36Å
241	G	74.6	Confident	85.1	Confident	62 Å²	62	61.8 Å²	61.8	64%	0.639	33%	0.33	S	S	*	.			trans	68.7	22.9	175.3	0	0	0	0	0	113.8	D238 G243	D238-G241 VanDerWaalsContact OD1-CA 3.23Å; D238-G241 WeakPolarHBondContact OD1-CA 3.44Å; D238-G241 PolarHBondContact OD1-N 3.46Å; D238-G241 WeakPolarHBondContact OD2-CA 3.33Å; G241-G243 VanDerWaalsContact C-N 3.33Å
242	D	79.7	Confident	84.9	Confident	73 Å²	73	63.2 Å²	63.2	39%	0.39	34%	0.337	S	S	.	.	S	Bend	trans	-88.2	-2.7	-178.3	71.3	-5.5	0	0	0	113.2	D238 N240 E244 K298	D238-D242 PolarHBondContact OD1-N 3.34Å; D238-D242 VanDerWaalsContact OD1-N 3.13Å; D238-D242 PolarHBondContact OD2-N 3.04Å; N240-D242 VanDerWaalsContact C-N 3.28Å; N240-D242 PolarHBondContact ND2-OD1 2.59Å; N240-D242 PolarHBondContact ND2-OD2 2.89Å; N240-D242 PolarHBondContact O-N 3.36Å; D242-E244 VanDerWaalsContact C-N 3.28Å; D242-E244 PolarHBondContact OD1-N 3.09Å; D242-K298 IonicContact OD2-NZ 3.55Å; D242-K298 PolarHBondContact OD2-NZ 2.97Å
243	G	77.1	Confident	84.7	Confident	38 Å²	38	59.4 Å²	59.4	39%	0.392	32%	0.317	S	S	.	.	S	Bend	trans	80.3	8.4	-179.1	0	0	0	0	0	113.6	D238 G241	D238-G243 WeakPolarHBondContact OD2-CA 3.46Å; D238-G243 PolarHBondContact OD2-N 3.08Å; G241-G243 VanDerWaalsContact C-N 3.33Å
244	E	87.2	Confident	84.6	Confident	68 Å²	68	59.3 Å²	59.3	32%	0.318	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	151.6	179.8	-43.8	-168.8	146.1	0	0	110.1	D242 K298 T300	D242-E244 VanDerWaalsContact C-N 3.28Å; D242-E244 PolarHBondContact OD1-N 3.09Å; E244-K298 HydrophobicContact CB-CB 3.86Å; E244-K298 HydrophobicContact CB-CD 4.08Å; E244-K298 WeakPolarHBondContact OE2-CB 3.4Å; E244-K298 WeakPolarHBondContact OE2-CD 3.48Å; E244-T300 HydrophobicContact CG-CG2 4.2Å
245	V	89.6	Confident	84.4	Confident	1 Å²	1	61.7 Å²	61.7	1%	0.006	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	129.2	-176.4	175.7	0	0	0	0	108	F234 E249 F250 F291 L299	F234-V245 HydrophobicContact CB-CG2 4.23Å; F234-V245 HydrophobicContact CD1-CB 4.04Å; F234-V245 HydrophobicContact CD1-CG2 3.34Å; F234-V245 HydrophobicContact CE1-CB 4Å; F234-V245 HydrophobicContact CE1-CG2 3.84Å; F234-V245 HydrophobicContact CG-CG2 3.94Å; V245-E249 WeakPolarHBondContact CA-OE2 3.31Å; V245-E249 HydrophobicContact CG1-CB 3.54Å; V245-F250 HydrophobicContact CG1-CB 3.85Å; V245-F250 VanDerWaalsContact CG1-N 3.31Å; V245-F291 WeakPolarHBondContact O-CE1 3.16Å; V245-L299 PolarHBondContact N-O 2.84Å; V245-L299 PolarHBondContact O-N 2.94Å
246	D	89.1	Confident	84.4	Confident	59 Å²	59	57 Å²	57	32%	0.316	31%	0.314	S	S	.	.			trans	-81.4	179.6	174.3	75.2	23.5	0	0	0	112.5	E248 E249 F250	D246-E248 PolarHBondContact O-N 3.24Å; D246-E248 PolarHBondContact OD1-N 3.38Å; D246-E249 PolarHBondContact N-OE2 2.89Å; D246-E249 WeakPolarHBondContact OD1-CB 3.44Å; D246-E249 WeakPolarHBondContact OD1-CG 3.28Å; D246-E249 PolarHBondContact OD1-N 3.39Å; D246-F250 WeakPolarHBondContact O-CB 3.28Å; D246-F250 PolarHBondContact O-N 3.25Å
247	L	87.8	Confident	84.5	Confident	38 Å²	38	50.9 Å²	50.9	20%	0.199	28%	0.284	C	S	.	.	H	α-helix	trans	-62	-41.7	-178.6	178.1	63.3	0	0	0	112.5	F250 E251 T287 F291 L295	L247-F250 PolarHBondContact O-N 3.1Å; L247-E251 WeakPolarHBondContact O-CG 3.44Å; L247-E251 PolarHBondContact O-N 3.2Å; L247-T287 HydrophobicContact CD1-CG2 3.91Å; L247-F291 HydrophobicContact CB-CD2 4.27Å; L247-F291 HydrophobicContact CB-CE2 4.25Å; L247-F291 HydrophobicContact CB-CG 4.43Å; L247-F291 HydrophobicContact CB-CZ 4.38Å; L247-F291 HydrophobicContact CD1-CD2 3.66Å; L247-F291 HydrophobicContact CD1-CE2 3.5Å; L247-F291 HydrophobicContact CD1-CZ 4.31Å; L247-F291 HydrophobicContact CG-CE2 4.49Å; L247-L295 HydrophobicContact CD2-CB 4.38Å
248	E	85.2	Confident	84.7	Confident	143 Å²	143	50.6 Å²	50.6	67%	0.668	28%	0.282	S	S	*	.	H	α-helix	trans	-70.8	-41.7	-176.5	-63.5	-174.1	-177	0	0	111.1	D246 E251 Q252	D246-E248 PolarHBondContact O-N 3.24Å; D246-E248 PolarHBondContact OD1-N 3.38Å; E248-E251 PolarHBondContact O-N 3.4Å; E248-Q252 WeakPolarHBondContact O-CG 3.32Å; E248-Q252 PolarHBondContact O-N 3.15Å
249	E	88.2	Confident	84.8	Confident	14 Å²	14	52.7 Å²	52.7	7%	0.065	30%	0.298	C	S	.	.	H	α-helix	trans	-65.4	-40	174	-66.8	173.1	146.5	0	0	111.1	L239 V245 D246 E251 Q252 V253	L239-E249 PolarHBondContact N-OE1 3.23Å; V245-E249 WeakPolarHBondContact CA-OE2 3.31Å; V245-E249 HydrophobicContact CG1-CB 3.54Å; D246-E249 PolarHBondContact N-OE2 2.89Å; D246-E249 WeakPolarHBondContact OD1-CB 3.44Å; D246-E249 WeakPolarHBondContact OD1-CG 3.28Å; D246-E249 PolarHBondContact OD1-N 3.39Å; E249-E251 VanDerWaalsContact C-N 3.34Å; E249-E251 PolarHBondContact O-N 3.43Å; E249-Q252 WeakPolarHBondContact O-CB 3.24Å; E249-Q252 PolarHBondContact O-N 3.13Å; E249-Q252 VanDerWaalsContact O-N 3.14Å; E249-V253 WeakPolarHBondContact O-CG2 3.19Å; E249-V253 PolarHBondContact O-N 2.68Å
250	F	88.7	Confident	85.4	Confident	4 Å²	4	51.5 Å²	51.5	2%	0.018	29%	0.289	C	S	.	.	H	α-helix	trans	-64.4	-38.1	177.3	-178.6	-106.9	0	0	0	112.2	F218 F234 V245 D246 L247 Q252 V253 Q254 F290 F291 L299 F304	F218-F250 HydrophobicContact CE2-CE1 4.2Å; F218-F250 AromaticContact CE2-CZ 3.76Å; F218-F250 HydrophobicContact CE2-CZ 3.76Å; F218-F250 HydrophobicContact CZ-CZ 4.12Å; F234-F250 AromaticContact CZ-CD2 3.99Å; F234-F250 HydrophobicContact CZ-CD2 3.99Å; F234-F250 HydrophobicContact CZ-CE2 4.06Å; V245-F250 HydrophobicContact CG1-CB 3.85Å; V245-F250 VanDerWaalsContact CG1-N 3.31Å; D246-F250 WeakPolarHBondContact O-CB 3.28Å; D246-F250 PolarHBondContact O-N 3.25Å; L247-F250 PolarHBondContact O-N 3.1Å; F250-Q252 VanDerWaalsContact C-N 3.27Å; F250-Q252 PolarHBondContact O-N 3.18Å; F250-V253 WeakPolarHBondContact O-CB 3.21Å; F250-V253 PolarHBondContact O-N 3.49Å; F250-Q254 WeakPolarHBondContact O-CB 3.05Å; F250-Q254 PolarHBondContact O-N 3.3Å; F250-F290 HydrophobicContact CE1-CD2 4.38Å; F250-F290 HydrophobicContact CZ-CD2 4.29Å; F250-F290 HydrophobicContact CZ-CE2 4.15Å; F250-F291 HydrophobicContact CB-CE2 4.35Å; F250-F291 HydrophobicContact CB-CZ 3.64Å; F250-F291 AromaticContact CD1-CE2 3.96Å; F250-F291 HydrophobicContact CD1-CE2 3.96Å; F250-F291 HydrophobicContact CD1-CZ 4Å; F250-F291 HydrophobicContact CG-CE2 4.28Å; F250-F291 AromaticContact CG-CZ 3.84Å; F250-F291 HydrophobicContact CG-CZ 3.84Å; F250-L299 HydrophobicContact CD2-CD2 3.79Å; F250-L299 HydrophobicContact CE2-CD2 3.75Å; F250-L299 HydrophobicContact CG-CD2 4.5Å; F250-L299 HydrophobicContact CZ-CD2 4.41Å; F250-F304 AromaticContact CE2-CD2 3.95Å; F250-F304 HydrophobicContact CE2-CD2 3.95Å; F250-F304 AromaticContact CE2-CE2 3.64Å; F250-F304 HydrophobicContact CE2-CE2 3.64Å; F250-F304 HydrophobicContact CE2-CZ 4.32Å; F250-F304 HydrophobicContact CZ-CD2 4.38Å; F250-F304 AromaticContact CZ-CE2 3.81Å; F250-F304 HydrophobicContact CZ-CE2 3.81Å
251	E	86.1	Confident	86	Confident	56 Å²	56	47.8 Å²	47.8	26%	0.262	27%	0.27	S	S	.	.	H	α-helix	trans	-61.5	-37.1	173.5	-76.5	-174.3	175.1	0	0	112.3	L247 E248 E249 S255 A280	L247-E251 WeakPolarHBondContact O-CG 3.44Å; L247-E251 PolarHBondContact O-N 3.2Å; E248-E251 PolarHBondContact O-N 3.4Å; E249-E251 VanDerWaalsContact C-N 3.34Å; E249-E251 PolarHBondContact O-N 3.43Å; E251-S255 VanDerWaalsContact O-CB 3.23Å; E251-S255 WeakPolarHBondContact O-CB 3.32Å; E251-S255 PolarHBondContact O-N 3.3Å; E251-A280 WeakPolarHBondContact OE1-CA 3.28Å; E251-A280 WeakPolarHBondContact OE1-CB 3.43Å
252	Q	86.5	Confident	86.4	Confident	89 Å²	89	45.2 Å²	45.2	42%	0.416	24%	0.242	S	C	.	.	H	α-helix	trans	-65.8	-47.7	174.2	-64.2	175.7	35.2	0	0	111.1	F237 E248 E249 F250 Q254 S255 I256	F237-Q252 HydrophobicContact CD1-CB 4.29Å; E248-Q252 WeakPolarHBondContact O-CG 3.32Å; E248-Q252 PolarHBondContact O-N 3.15Å; E249-Q252 WeakPolarHBondContact O-CB 3.24Å; E249-Q252 PolarHBondContact O-N 3.13Å; E249-Q252 VanDerWaalsContact O-N 3.14Å; F250-Q252 VanDerWaalsContact C-N 3.27Å; F250-Q252 PolarHBondContact O-N 3.18Å; Q252-Q254 VanDerWaalsContact C-N 3.32Å; Q252-Q254 PolarHBondContact O-N 3.28Å; Q252-S255 PolarHBondContact O-N 3.38Å; Q252-I256 WeakPolarHBondContact O-CB 3.48Å; Q252-I256 VanDerWaalsContact O-CG1 3.31Å; Q252-I256 WeakPolarHBondContact O-CG1 3.37Å; Q252-I256 PolarHBondContact O-N 3.08Å
253	V	88.3	Confident	86.5	Confident	1 Å²	1	41.9 Å²	41.9	1%	0.006	22%	0.224	C	C	.	.	H	α-helix	trans	-54.8	-50.4	175	170.1	0	0	0	0	110.1	A233 F234 F237 E249 F250 S255 I256 I257	A233-V253 HydrophobicContact CB-CG1 3.86Å; A233-V253 HydrophobicContact CB-CG2 4.38Å; F234-V253 HydrophobicContact CD2-CG1 4.15Å; F234-V253 HydrophobicContact CE2-CG1 4.01Å; F237-V253 HydrophobicContact CB-CG2 3.72Å; F237-V253 HydrophobicContact CD2-CG2 3.77Å; F237-V253 HydrophobicContact CG-CG2 3.95Å; E249-V253 WeakPolarHBondContact O-CG2 3.19Å; E249-V253 PolarHBondContact O-N 2.68Å; F250-V253 WeakPolarHBondContact O-CB 3.21Å; F250-V253 PolarHBondContact O-N 3.49Å; V253-S255 PolarHBondContact O-N 2.99Å; V253-I256 PolarHBondContact O-N 3.43Å; V253-I257 HydrophobicContact CG1-CG1 4.33Å; V253-I257 WeakPolarHBondContact O-CB 3.46Å; V253-I257 VanDerWaalsContact O-CG1 3.31Å; V253-I257 WeakPolarHBondContact O-CG1 3.47Å; V253-I257 PolarHBondContact O-N 3.21Å
254	Q	87	Confident	86.7	Confident	6 Å²	6	40.7 Å²	40.7	3%	0.028	21%	0.211	C	C	.	.	H	α-helix	trans	-61.8	-43.9	-179.6	-167.4	-159.5	-5.8	0	0	111.5	F218 F250 Q252 I256 R258 G281	F218-Q254 HydrophobicContact CD2-CG 4.1Å; F218-Q254 HydrophobicContact CE2-CG 4.48Å; F250-Q254 WeakPolarHBondContact O-CB 3.05Å; F250-Q254 PolarHBondContact O-N 3.3Å; Q252-Q254 VanDerWaalsContact C-N 3.32Å; Q252-Q254 PolarHBondContact O-N 3.28Å; Q254-I256 PolarHBondContact O-N 3.37Å; Q254-R258 WeakPolarHBondContact O-CB 3.41Å; Q254-R258 PolarHBondContact O-N 3.48Å; Q254-G281 PolarHBondContact NE2-O 3.23Å; Q254-G281 VanDerWaalsContact OE1-C 3.25Å; Q254-G281 VanDerWaalsContact OE1-CA 3.29Å; Q254-G281 PolarHBondContact OE1-O 2.93Å; Q254-G281 VanDerWaalsContact OE1-O 3.14Å
255	S	86	Confident	86.4	Confident	54 Å²	54	43.3 Å²	43.3	38%	0.378	23%	0.225	S	C	.	.	H	α-helix	trans	-60.8	-44.8	178.6	-172.4	0	0	0	0	112.1	E251 Q252 V253 S259	E251-S255 VanDerWaalsContact O-CB 3.23Å; E251-S255 WeakPolarHBondContact O-CB 3.32Å; E251-S255 PolarHBondContact O-N 3.3Å; Q252-S255 PolarHBondContact O-N 3.38Å; V253-S255 PolarHBondContact O-N 2.99Å; S255-S259 WeakPolarHBondContact O-CB 3.39Å; S255-S259 PolarHBondContact O-N 3.03Å
256	I	88.4	Confident	86.1	Confident	57 Å²	57	47 Å²	47	29%	0.292	24%	0.239	S	C	.	.	H	α-helix	trans	-69.4	-49.8	-178.2	-69.7	168.2	0	0	0	110.8	F237 Q252 V253 Q254 R258 S259 Q260	F237-I256 HydrophobicContact CD2-CD1 4.45Å; F237-I256 HydrophobicContact CE1-CD1 3.58Å; F237-I256 HydrophobicContact CE2-CD1 3.47Å; F237-I256 VanDerWaalsContact CE2-CD1 3.47Å; F237-I256 HydrophobicContact CZ-CD1 2.98Å; F237-I256 HydrophobicContact CZ-CG1 4.44Å; Q252-I256 WeakPolarHBondContact O-CB 3.48Å; Q252-I256 VanDerWaalsContact O-CG1 3.31Å; Q252-I256 WeakPolarHBondContact O-CG1 3.37Å; Q252-I256 PolarHBondContact O-N 3.08Å; V253-I256 PolarHBondContact O-N 3.43Å; Q254-I256 PolarHBondContact O-N 3.37Å; I256-R258 VanDerWaalsContact C-N 3.32Å; I256-R258 PolarHBondContact O-N 3Å; I256-S259 WeakPolarHBondContact O-CB 3.41Å; I256-S259 PolarHBondContact O-N 3.49Å; I256-S259 VanDerWaalsContact O-N 3.14Å; I256-S259 PolarHBondContact O-OG 3.44Å; I256-Q260 PolarHBondContact O-N 2.94Å
257	I	89.1	Confident	85.7	Confident	6 Å²	6	45.4 Å²	45.4	3%	0.031	23%	0.23	C	C	.	.	H	α-helix	trans	-60.9	-45.3	178.2	-65.1	-62.4	0	0	0	110	T221 T225 N229 F230 A233 V253 S259 Q260 T261	T221-I257 HydrophobicContact CG2-CB 4.46Å; T221-I257 HydrophobicContact CG2-CG2 3.69Å; T225-I257 HydrophobicContact CG2-CD1 4.4Å; T225-I257 HydrophobicContact CG2-CG2 3.66Å; T225-I257 VanDerWaalsContact OG1-CG2 3.29Å; T225-I257 WeakPolarHBondContact OG1-CG2 3.43Å; N229-I257 HydrophobicContact CB-CD1 4.28Å; F230-I257 HydrophobicContact CD1-CG1 4.35Å; F230-I257 HydrophobicContact CE1-CB 4.42Å; F230-I257 HydrophobicContact CE1-CG1 4.11Å; F230-I257 HydrophobicContact CE1-CG2 4.04Å; F230-I257 HydrophobicContact CZ-CG2 4.12Å; A233-I257 HydrophobicContact CB-CD1 4.18Å; A233-I257 HydrophobicContact CB-CG1 4.39Å; V253-I257 HydrophobicContact CG1-CG1 4.33Å; V253-I257 WeakPolarHBondContact O-CB 3.46Å; V253-I257 VanDerWaalsContact O-CG1 3.31Å; V253-I257 WeakPolarHBondContact O-CG1 3.47Å; V253-I257 PolarHBondContact O-N 3.21Å; I257-S259 VanDerWaalsContact C-N 3.28Å; I257-S259 PolarHBondContact O-N 2.84Å; I257-Q260 WeakPolarHBondContact O-CB 3.38Å; I257-Q260 PolarHBondContact O-N 3.27Å; I257-T261 WeakPolarHBondContact O-CG2 2.98Å; I257-T261 PolarHBondContact O-N 2.64Å
258	R	87.8	Confident	85.3	Confident	37 Å²	37	53.9 Å²	53.9	14%	0.14	26%	0.259	C	S	.	.	H	α-helix	trans	-55.4	-43.9	175.5	-178	173.9	63.7	-119.1	-0.2	111.3	I217 T221 Q254 I256 Q260 T261 G264	I217-R258 HydrophobicContact CG2-CG 4.34Å; T221-R258 HydrophobicContact CG2-CB 4.25Å; Q254-R258 WeakPolarHBondContact O-CB 3.41Å; Q254-R258 PolarHBondContact O-N 3.48Å; I256-R258 VanDerWaalsContact C-N 3.32Å; I256-R258 PolarHBondContact O-N 3Å; R258-Q260 PolarHBondContact O-N 3.06Å; R258-T261 PolarHBondContact O-N 2.91Å; R258-T261 PolarHBondContact O-OG1 3.16Å; R258-G264 VanDerWaalsContact O-CA 3.3Å; R258-G264 WeakPolarHBondContact O-CA 3.41Å
259	S	86.6	Confident	85	Confident	67 Å²	67	51.7 Å²	51.7	47%	0.469	25%	0.252	S	S	.	.	H	α-helix	trans	-63	-20.6	178.5	80.7	0	0	0	0	114.3	S255 I256 I257 M265	S255-S259 WeakPolarHBondContact O-CB 3.39Å; S255-S259 PolarHBondContact O-N 3.03Å; I256-S259 WeakPolarHBondContact O-CB 3.41Å; I256-S259 PolarHBondContact O-N 3.49Å; I256-S259 VanDerWaalsContact O-N 3.14Å; I256-S259 PolarHBondContact O-OG 3.44Å; I257-S259 VanDerWaalsContact C-N 3.28Å; I257-S259 PolarHBondContact O-N 2.84Å; S259-M265 WeakPolarHBondContact O-CG 3.31Å
260	Q	86.8	Confident	84.5	Confident	118 Å²	118	57 Å²	57	55%	0.551	27%	0.272	S	S	*	.	H	α-helix	trans	-88.2	-23	175.3	-63.5	-178.4	0.8	0	0	112.7	I256 I257 R258	I256-Q260 PolarHBondContact O-N 2.94Å; I257-Q260 WeakPolarHBondContact O-CB 3.38Å; I257-Q260 PolarHBondContact O-N 3.27Å; R258-Q260 PolarHBondContact O-N 3.06Å
261	T	86.2	Confident	83.6	Confident	13 Å²	13	61.7 Å²	61.7	8%	0.08	30%	0.304	C	S	.	.	S	Bend	trans	-75.7	152.6	178.8	70.5	0	0	0	0	112.9	T221 I257 R258 M263 G264 M265	T221-T261 HydrophobicContact CG2-CG2 3.95Å; I257-T261 WeakPolarHBondContact O-CG2 2.98Å; I257-T261 PolarHBondContact O-N 2.64Å; R258-T261 PolarHBondContact O-N 2.91Å; R258-T261 PolarHBondContact O-OG1 3.16Å; T261-M263 PolarHBondContact O-N 3.17Å; T261-G264 PolarHBondContact O-N 2.96Å; T261-G264 PolarHBondContact OG1-N 2.94Å; T261-M265 WeakPolarHBondContact O-CE 3.4Å; T261-M265 WeakPolarHBondContact O-CG 3.48Å; T261-M265 PolarHBondContact O-N 3.39Å; T261-M265 VanDerWaalsContact O-N 3.08Å
262	S	83.1	Confident	82.7	Confident	8 Å²	8	65 Å²	65	6%	0.056	33%	0.328	C	S	.	.	H	α-helix	trans	-63.3	-29.6	175.1	77.2	0	0	0	0	112.9	L453 K455 K457	S262-L453 WeakPolarHBondContact CB-O 3.38Å; S262-L453 PolarHBondContact OG-O 3.22Å; S262-K455 WeakPolarHBondContact CB-O 3.35Å; S262-K455 PolarHBondContact OG-O 2.87Å; S262-K457 PolarHBondContact OG-NZ 3.06Å
263	M	81.7	Confident	81.7	Confident	2 Å²	2	62.7 Å²	62.7	1%	0.01	32%	0.321	C	S	.	.	H	α-helix	trans	-75.2	-47	179.4	-56.3	-88.7	43.8	0	0	110.7	P127 I130 T261 R266 H267 L453 K457	P127-M263 HydrophobicContact CB-CE 4.22Å; P127-M263 HydrophobicContact CG-CB 4.41Å; P127-M263 HydrophobicContact CG-CE 3.82Å; P127-M263 WeakPolarHBondContact CG-O 3.49Å; I130-M263 HydrophobicContact CD1-CE 3.9Å; T261-M263 PolarHBondContact O-N 3.17Å; M263-R266 PolarHBondContact O-N 2.98Å; M263-H267 PolarHBondContact O-N 3.48Å; M263-L453 HydrophobicContact SD-CD2 4.35Å; M263-K457 HydrophobicContact CE-CD 3.4Å; M263-K457 VanDerWaalsContact CE-CD 3.4Å; M263-K457 PolarHBondContact SD-NZ 3.29Å
264	G	81.4	Confident	80.7	Confident	13 Å²	13	65.3 Å²	65.3	13%	0.134	35%	0.348	C	S	.	.	H	α-helix	trans	-65.6	-42.5	178.2	0	0	0	0	0	113.6	R258 T261 R266 H267	R258-G264 VanDerWaalsContact O-CA 3.3Å; R258-G264 WeakPolarHBondContact O-CA 3.41Å; T261-G264 PolarHBondContact O-N 2.96Å; T261-G264 PolarHBondContact OG1-N 2.94Å; G264-R266 PolarHBondContact O-N 2.85Å; G264-H267 WeakPolarHBondContact O-CB 3.36Å; G264-H267 PolarHBondContact O-N 3.06Å; G264-H267 VanDerWaalsContact O-N 3.08Å
265	M	80.9	Confident	80	Confident	124 Å²	124	65.6 Å²	65.6	61%	0.611	35%	0.35	S	S	*	.	H	α-helix	trans	-62.6	-27.9	177.4	-74.2	-170.9	-77.9	0	0	114.1	S259 T261	S259-M265 WeakPolarHBondContact O-CG 3.31Å; T261-M265 WeakPolarHBondContact O-CE 3.4Å; T261-M265 WeakPolarHBondContact O-CG 3.48Å; T261-M265 PolarHBondContact O-N 3.39Å; T261-M265 VanDerWaalsContact O-N 3.08Å
266	R	83.4	Confident	79.4	Confident	78 Å²	78	64.8 Å²	64.8	29%	0.294	34%	0.342	S	S	.	.	H	α-helix	trans	-90.1	-14	176.2	-78.6	-50.6	-146.2	-178.1	14.9	113.5	M263 G264 K457 D458	M263-R266 PolarHBondContact O-N 2.98Å; G264-R266 PolarHBondContact O-N 2.85Å; R266-K457 HydrophobicContact CG-CB 3.6Å; R266-K457 VanDerWaalsContact CZ-O 3.26Å; R266-K457 PolarHBondContact NE-O 2.87Å; R266-K457 PolarHBondContact NH2-O 3.37Å; R266-D458 VanDerWaalsContact CZ-CA 3.48Å; R266-D458 IonicContact CZ-OD1 3.94Å; R266-D458 IonicContact NH1-OD1 3.56Å; R266-D458 PolarHBondContact NH1-OD1 2.86Å; R266-D458 IonicContact NH1-OD2 2.83Å; R266-D458 VanDerWaalsContact NH2-CG 3.34Å; R266-D458 IonicContact NH2-OD1 2.75Å; R266-D458 PolarHBondContact NH2-OD1 3.17Å
267	H	81.1	Confident	78.6	Confident	26 Å²	26	63.2 Å²	63.2	12%	0.12	33%	0.334	C	S	.	.			trans	-69.4	136.7	178.5	-175.6	53.4	0	0	0	110	P127 F213 M263 G264 D269	P127-H267 HydrophobicContact CG-CB 4.07Å; F213-H267 AromaticContact CE1-CE1 3.39Å; F213-H267 WeakPolarHBondContact CE1-CE1 3.47Å; F213-H267 AromaticContact CZ-CE1 3.37Å; F213-H267 WeakPolarHBondContact CZ-CE1 3.23Å; F213-H267 AromaticContact CZ-ND1 3.63Å; M263-H267 PolarHBondContact O-N 3.48Å; G264-H267 WeakPolarHBondContact O-CB 3.36Å; G264-H267 PolarHBondContact O-N 3.06Å; G264-H267 VanDerWaalsContact O-N 3.08Å; H267-D269 IonicContact NE2-OD1 2.93Å; H267-D269 PolarHBondContact NE2-OD1 3.25Å
268	R	79.3	Confident	77.1	Confident	216 Å²	216	70.7 Å²	70.7	82%	0.815	37%	0.367	S	S	*	.			trans	-139.9	134.6	167.5	-73.2	-173.8	171	163.8	-3.4	106.8	R270	R268-R270 PolarHBondContact O-N 2.81Å
269	D	78.3	Confident	75.2	Confident	97 Å²	97	75.5 Å²	75.5	52%	0.519	40%	0.401	S	S	.	.			trans	-59.9	128.7	176.5	-71.6	-49.1	0	0	0	110.2	H267 T276 L277	H267-D269 IonicContact NE2-OD1 2.93Å; H267-D269 PolarHBondContact NE2-OD1 3.25Å; D269-T276 HydrophobicContact CB-CG2 4.24Å; D269-T276 WeakPolarHBondContact OD1-CA 3.49Å; D269-L277 PolarHBondContact OD1-N 2.94Å
270	R	77.9	Confident	73.4	Confident	126 Å²	126	74.7 Å²	74.7	48%	0.475	40%	0.398	S	S	.	.	B	Isolated β-bridge	trans	-123.1	88.8	177.5	-168.5	171.2	-165.3	169.3	5.8	109.2	R268 T272 T273 G274	R268-R270 PolarHBondContact O-N 2.81Å; R270-T272 PolarHBondContact O-N 3.38Å; R270-T272 VanDerWaalsContact O-N 3.16Å; R270-T273 WeakPolarHBondContact CB-OG1 3.21Å; R270-T273 HydrophobicContact CG-CG2 4.11Å; R270-T273 PolarHBondContact O-N 2.82Å; R270-T273 PolarHBondContact O-OG1 2.92Å; R270-G274 PolarHBondContact O-N 3.47Å
271	S	70.3	Confident	71.8	Confident	101 Å²	101	69.5 Å²	69.5	71%	0.706	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-56.4	-31.5	177.7	54.1	0	0	0	0	113.1	T273 G274	S271-T273 PolarHBondContact O-N 3.25Å; S271-G274 PolarHBondContact O-N 3.26Å; S271-G274 VanDerWaalsContact O-N 3.16Å
272	T	67.1	Low	70.3	Confident	125 Å²	125	69.5 Å²	69.5	77%	0.767	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-60.2	-28.2	176.9	-41.8	0	0	0	0	113.6	R270	R270-T272 PolarHBondContact O-N 3.38Å; R270-T272 VanDerWaalsContact O-N 3.16Å
273	T	64.4	Low	69.4	Low	41 Å²	41	69.9 Å²	69.9	25%	0.252	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-100.2	-2.3	-179.6	52.6	0	0	0	0	112.7	D128 R132 R270 S271 N275	D128-T273 PolarHBondContact OD1-OG1 2.73Å; D128-T273 VanDerWaalsContact OD1-OG1 3.11Å; R132-T273 VanDerWaalsContact NH1-CG2 3.25Å; R270-T273 WeakPolarHBondContact CB-OG1 3.21Å; R270-T273 HydrophobicContact CG-CG2 4.11Å; R270-T273 PolarHBondContact O-N 2.82Å; R270-T273 PolarHBondContact O-OG1 2.92Å; S271-T273 PolarHBondContact O-N 3.25Å; T273-N275 PolarHBondContact O-N 3.23Å; T273-N275 VanDerWaalsContact O-N 3.13Å
274	G	67.8	Low	68.7	Low	56 Å²	56	74.5 Å²	74.5	58%	0.577	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.8	-11.6	-172.1	0	0	0	0	0	114.3	R270 S271 T276	R270-G274 PolarHBondContact O-N 3.47Å; S271-G274 PolarHBondContact O-N 3.26Å; S271-G274 VanDerWaalsContact O-N 3.16Å; G274-T276 VanDerWaalsContact C-N 3.28Å; G274-T276 PolarHBondContact O-N 3.26Å
275	N	73.1	Confident	68.3	Low	13 Å²	13	75.4 Å²	75.4	7%	0.07	42%	0.418	C	S	.	.	B	Isolated β-bridge	trans	-81	73.2	-179.5	-65.4	-13.5	0	0	0	110.6	D128 R132 F213 T273	D128-N275 VanDerWaalsContact OD1-CB 3.28Å; D128-N275 WeakPolarHBondContact OD1-CB 3.39Å; D128-N275 PolarHBondContact OD1-ND2 2.75Å; R132-N275 WeakPolarHBondContact CG-ND2 3.31Å; F213-N275 HydrophobicContact CB-CB 4.42Å; F213-N275 HydrophobicContact CD1-CB 3.61Å; F213-N275 HydrophobicContact CD2-CB 4.18Å; F213-N275 HydrophobicContact CE1-CB 3.84Å; F213-N275 HydrophobicContact CE2-CB 4.39Å; F213-N275 HydrophobicContact CG-CB 3.78Å; F213-N275 HydrophobicContact CZ-CB 4.21Å; T273-N275 PolarHBondContact O-N 3.23Å; T273-N275 VanDerWaalsContact O-N 3.13Å
276	T	73.6	Confident	68.2	Low	36 Å²	36	69.5 Å²	69.5	22%	0.221	39%	0.389	C	S	.	.			trans	-114.8	137.8	176.7	55.9	0	0	0	0	110.5	D269 G274 K278	D269-T276 HydrophobicContact CB-CG2 4.24Å; D269-T276 WeakPolarHBondContact OD1-CA 3.49Å; G274-T276 VanDerWaalsContact C-N 3.28Å; G274-T276 PolarHBondContact O-N 3.26Å; T276-K278 VanDerWaalsContact C-N 3.27Å; T276-K278 PolarHBondContact O-N 3.5Å; T276-K278 VanDerWaalsContact O-N 3.17Å
277	L	70.6	Confident	68.3	Low	24 Å²	24	66.3 Å²	66.3	13%	0.126	38%	0.378	C	S	.	.			trans	-87	67.2	170.5	-165.9	80.7	0	0	0	108.6	D269 T279	D269-L277 PolarHBondContact OD1-N 2.94Å; L277-T279 PolarHBondContact O-N 3.38Å
278	K	57.4	Low	68.5	Low	163 Å²	163	67.5 Å²	67.5	71%	0.709	39%	0.387	S	S	*	.			trans	-72.8	121.2	179.8	-75.7	-168.3	-177.7	-177.1	0	111	T276 A280	T276-K278 VanDerWaalsContact C-N 3.27Å; T276-K278 PolarHBondContact O-N 3.5Å; T276-K278 VanDerWaalsContact O-N 3.17Å; K278-A280 PolarHBondContact O-N 2.89Å
279	T	47.6	Very low	68.9	Low	139 Å²	139	62.4 Å²	62.4	85%	0.853	37%	0.369	S	S	*	.	S	Bend	trans	35.9	13.4	152.5	-25.6	0	0	0	0	122	L277	L277-T279 PolarHBondContact O-N 3.38Å
280	A	49.6	Very low	69.4	Low	49 Å²	49	58.8 Å²	58.8	41%	0.405	35%	0.348	S	S	.	.	S	Bend	trans	-149.7	110.6	155.5	0	0	0	0	0	106.7	E251 K278 C282	E251-A280 WeakPolarHBondContact OE1-CA 3.28Å; E251-A280 WeakPolarHBondContact OE1-CB 3.43Å; K278-A280 PolarHBondContact O-N 2.89Å; A280-C282 PolarHBondContact O-N 3.32Å
281	G	52.6	Low	69.9	Low	10 Å²	10	52.9 Å²	52.9	10%	0.103	33%	0.326	C	S	.	.	S	Bend	trans	-64.9	-2	-157.2	0	0	0	0	0	116.8	Q254	Q254-G281 PolarHBondContact NE2-O 3.23Å; Q254-G281 VanDerWaalsContact OE1-C 3.25Å; Q254-G281 VanDerWaalsContact OE1-CA 3.29Å; Q254-G281 PolarHBondContact OE1-O 2.93Å; Q254-G281 VanDerWaalsContact OE1-O 3.14Å
282	C	55.7	Low	70.8	Confident	12 Å²	12	49.4 Å²	49.4	8%	0.081	31%	0.307	C	S	.	.	S	Bend	trans	-129.5	153.9	-175.3	-77	0	0	0	0	110.6	A280 L286 T287	A280-C282 PolarHBondContact O-N 3.32Å; C282-L286 HydrophobicContact CB-CB 3.78Å; C282-L286 HydrophobicContact CB-CD1 4.29Å; C282-T287 HydrophobicContact CB-CG2 3.58Å
283	S	63.7	Low	71.7	Confident	17 Å²	17	52.2 Å²	52.2	12%	0.119	31%	0.311	C	S	.	.			trans	-58.6	153.5	167.2	59.9	0	0	0	0	110.3	D215 A285 L286 T287	D215-S283 WeakPolarHBondContact OD1-CB 3.32Å; D215-S283 PolarHBondContact OD1-OG 3.02Å; S283-A285 PolarHBondContact O-N 2.89Å; S283-A285 VanDerWaalsContact O-N 3.12Å; S283-L286 WeakPolarHBondContact O-CB 3.3Å; S283-L286 PolarHBondContact O-N 3.48Å; S283-L286 WeakPolarHBondContact OG-CB 3.28Å; S283-L286 PolarHBondContact OG-N 3.18Å; S283-T287 PolarHBondContact O-N 3.49Å; S283-T287 PolarHBondContact O-OG1 3.36Å
284	S	67.4	Low	72.8	Confident	98 Å²	98	55.2 Å²	55.2	69%	0.685	33%	0.325	S	S	*	.	H	α-helix	trans	-51.1	-34.7	173.7	-175.9	0	0	0	0	112.1	T287 T288	S284-T287 WeakPolarHBondContact CA-OG1 3.35Å; S284-T287 PolarHBondContact O-OG1 3.12Å; S284-T288 WeakPolarHBondContact O-CB 3.23Å; S284-T288 PolarHBondContact O-N 3.33Å; S284-T288 VanDerWaalsContact O-N 3.09Å; S284-T288 PolarHBondContact O-OG1 3.02Å
285	A	73.4	Confident	73.6	Confident	32 Å²	32	56.2 Å²	56.2	26%	0.264	32%	0.317	S	S	.	.	H	α-helix	trans	-69.7	-43.4	177.2	0	0	0	0	0	112.7	L205 S283 T288 Y289	L205-A285 VanDerWaalsContact O-CB 3.28Å; L205-A285 WeakPolarHBondContact O-CB 3.32Å; S283-A285 PolarHBondContact O-N 2.89Å; S283-A285 VanDerWaalsContact O-N 3.12Å; A285-T288 PolarHBondContact O-N 3.12Å; A285-Y289 WeakPolarHBondContact O-CB 3.04Å; A285-Y289 PolarHBondContact O-N 3.13Å
286	L	78.6	Confident	74.3	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-62.1	-44.1	175.7	-95.8	169.4	0	0	0	113.2	L205 D215 F218 C282 S283 T288 Y289 F290 F307	L205-L286 HydrophobicContact CD2-CD1 4.05Å; L205-L286 HydrophobicContact CD2-CD2 2.98Å; L205-L286 HydrophobicContact CD2-CG 3.29Å; L205-L286 HydrophobicContact CG-CD2 4.48Å; D215-L286 VanDerWaalsContact OD1-CD1 3.24Å; D215-L286 WeakPolarHBondContact OD1-CD1 3.46Å; F218-L286 HydrophobicContact CB-CD1 4.24Å; F218-L286 HydrophobicContact CD1-CD1 3.38Å; F218-L286 HydrophobicContact CD1-CD2 3.96Å; F218-L286 HydrophobicContact CD1-CG 4.36Å; F218-L286 HydrophobicContact CE1-CD1 3.85Å; F218-L286 HydrophobicContact CE1-CD2 3.52Å; F218-L286 HydrophobicContact CE1-CG 4.38Å; F218-L286 HydrophobicContact CG-CD1 3.87Å; F218-L286 HydrophobicContact CZ-CD2 4.2Å; C282-L286 HydrophobicContact CB-CB 3.78Å; C282-L286 HydrophobicContact CB-CD1 4.29Å; S283-L286 WeakPolarHBondContact O-CB 3.3Å; S283-L286 PolarHBondContact O-N 3.48Å; S283-L286 WeakPolarHBondContact OG-CB 3.28Å; S283-L286 PolarHBondContact OG-N 3.18Å; L286-T288 VanDerWaalsContact C-N 3.33Å; L286-Y289 PolarHBondContact O-N 3.07Å; L286-F290 HydrophobicContact CD2-CD2 4.39Å; L286-F290 HydrophobicContact CD2-CE2 3.71Å; L286-F290 HydrophobicContact CD2-CZ 4.35Å; L286-F290 WeakPolarHBondContact O-CD2 3.31Å; L286-F290 PolarHBondContact O-N 3.43Å; L286-F290 VanDerWaalsContact O-N 3.15Å; L286-F307 HydrophobicContact CD2-CE2 4.48Å; L286-F307 HydrophobicContact CD2-CZ 4.25Å
287	T	84.4	Confident	74.9	Confident	12 Å²	12	63.3 Å²	63.3	7%	0.074	35%	0.352	C	S	.	.	H	α-helix	trans	-65.4	-42	178.9	50.2	0	0	0	0	110.6	L247 C282 S283 S284 Y289 F290 F291	L247-T287 HydrophobicContact CD1-CG2 3.91Å; C282-T287 HydrophobicContact CB-CG2 3.58Å; S283-T287 PolarHBondContact O-N 3.49Å; S283-T287 PolarHBondContact O-OG1 3.36Å; S284-T287 WeakPolarHBondContact CA-OG1 3.35Å; S284-T287 PolarHBondContact O-OG1 3.12Å; T287-Y289 VanDerWaalsContact C-N 3.32Å; T287-Y289 PolarHBondContact O-N 3.19Å; T287-F290 PolarHBondContact O-N 3.37Å; T287-F291 WeakPolarHBondContact O-CB 3.46Å; T287-F291 WeakPolarHBondContact O-CD2 3.29Å; T287-F291 PolarHBondContact O-N 2.96Å
288	T	85.2	Confident	75.8	Confident	50 Å²	50	66.8 Å²	66.8	31%	0.307	37%	0.366	S	S	.	.	H	α-helix	trans	-64.4	-37.1	175.9	-51.7	0	0	0	0	111.7	S284 A285 L286 G292 E293	S284-T288 WeakPolarHBondContact O-CB 3.23Å; S284-T288 PolarHBondContact O-N 3.33Å; S284-T288 VanDerWaalsContact O-N 3.09Å; S284-T288 PolarHBondContact O-OG1 3.02Å; A285-T288 PolarHBondContact O-N 3.12Å; L286-T288 VanDerWaalsContact C-N 3.33Å; T288-G292 WeakPolarHBondContact O-CA 3.33Å; T288-G292 PolarHBondContact O-N 3.07Å; T288-E293 HydrophobicContact CG2-CB 4.49Å; T288-E293 HydrophobicContact CG2-CG 3.93Å
289	Y	87.4	Confident	77.4	Confident	110 Å²	110	59.2 Å²	59.2	43%	0.431	33%	0.333	S	S	.	.	H	α-helix	trans	-63.2	-40.7	176.8	178.5	-97.5	0	0	0	112.9	A204 A285 L286 T287 F307	A204-Y289 HydrophobicContact CB-CD2 3.94Å; A204-Y289 HydrophobicContact CB-CE2 4.04Å; A285-Y289 WeakPolarHBondContact O-CB 3.04Å; A285-Y289 PolarHBondContact O-N 3.13Å; L286-Y289 PolarHBondContact O-N 3.07Å; T287-Y289 VanDerWaalsContact C-N 3.32Å; T287-Y289 PolarHBondContact O-N 3.19Å; Y289-F307 HydrophobicContact CD1-CD2 4.29Å; Y289-F307 AromaticContact CE1-CD2 3.64Å; Y289-F307 HydrophobicContact CE1-CD2 3.64Å; Y289-F307 HydrophobicContact CE1-CE2 4.26Å
290	F	89.2	Confident	79.5	Confident	20 Å²	20	54.7 Å²	54.7	9%	0.088	31%	0.306	C	S	.	.	H	α-helix	trans	-86.7	-35.6	-178.7	-69.1	-49.6	0	0	0	114.1	F218 F250 L286 T287 L299 F304 F307	F218-F290 HydrophobicContact CE1-CE2 4.36Å; F218-F290 AromaticContact CZ-CE2 3.87Å; F218-F290 HydrophobicContact CZ-CE2 3.87Å; F218-F290 HydrophobicContact CZ-CZ 4.32Å; F250-F290 HydrophobicContact CE1-CD2 4.38Å; F250-F290 HydrophobicContact CZ-CD2 4.29Å; F250-F290 HydrophobicContact CZ-CE2 4.15Å; L286-F290 HydrophobicContact CD2-CD2 4.39Å; L286-F290 HydrophobicContact CD2-CE2 3.71Å; L286-F290 HydrophobicContact CD2-CZ 4.35Å; L286-F290 WeakPolarHBondContact O-CD2 3.31Å; L286-F290 PolarHBondContact O-N 3.43Å; L286-F290 VanDerWaalsContact O-N 3.15Å; T287-F290 PolarHBondContact O-N 3.37Å; F290-L299 HydrophobicContact CB-CD1 4.25Å; F290-L299 HydrophobicContact CB-CD2 4.25Å; F290-L299 HydrophobicContact CD1-CD1 3.63Å; F290-L299 HydrophobicContact CD1-CD2 4.11Å; F290-L299 HydrophobicContact CE1-CD1 4.33Å; F290-L299 HydrophobicContact CG-CD1 4.2Å; F290-L299 HydrophobicContact CG-CD2 4.06Å; F290-F304 HydrophobicContact CE1-CD2 4.21Å; F290-F304 HydrophobicContact CE2-CE2 4.49Å; F290-F304 HydrophobicContact CZ-CD2 4.02Å; F290-F304 HydrophobicContact CZ-CE2 4.14Å; F290-F307 HydrophobicContact CE1-CB 3.98Å; F290-F307 HydrophobicContact CE1-CD1 4.3Å; F290-F307 AromaticContact CE1-CD2 3.88Å; F290-F307 HydrophobicContact CE1-CD2 3.88Å; F290-F307 HydrophobicContact CE1-CE2 4.47Å; F290-F307 AromaticContact CE1-CG 3.78Å; F290-F307 HydrophobicContact CE1-CG 3.78Å; F290-F307 HydrophobicContact CZ-CB 4.29Å; F290-F307 AromaticContact CZ-CD1 3.74Å; F290-F307 HydrophobicContact CZ-CD1 3.74Å; F290-F307 AromaticContact CZ-CD2 3.72Å; F290-F307 HydrophobicContact CZ-CD2 3.72Å; F290-F307 AromaticContact CZ-CE1 3.97Å; F290-F307 HydrophobicContact CZ-CE1 3.97Å; F290-F307 AromaticContact CZ-CE2 3.92Å; F290-F307 HydrophobicContact CZ-CE2 3.92Å; F290-F307 AromaticContact CZ-CG 3.63Å; F290-F307 HydrophobicContact CZ-CG 3.63Å; F290-F307 HydrophobicContact CZ-CZ 4.06Å
291	F	89.6	Confident	81.4	Confident	2 Å²	2	54.4 Å²	54.4	1%	0.009	30%	0.297	C	S	.	.	H	α-helix	trans	-117.7	1.1	-168.3	-55.7	-70.9	0	0	0	114	V245 L247 F250 T287 L295 G297 L299	V245-F291 WeakPolarHBondContact O-CE1 3.16Å; L247-F291 HydrophobicContact CB-CD2 4.27Å; L247-F291 HydrophobicContact CB-CE2 4.25Å; L247-F291 HydrophobicContact CB-CG 4.43Å; L247-F291 HydrophobicContact CB-CZ 4.38Å; L247-F291 HydrophobicContact CD1-CD2 3.66Å; L247-F291 HydrophobicContact CD1-CE2 3.5Å; L247-F291 HydrophobicContact CD1-CZ 4.31Å; L247-F291 HydrophobicContact CG-CE2 4.49Å; F250-F291 HydrophobicContact CB-CE2 4.35Å; F250-F291 HydrophobicContact CB-CZ 3.64Å; F250-F291 AromaticContact CD1-CE2 3.96Å; F250-F291 HydrophobicContact CD1-CE2 3.96Å; F250-F291 HydrophobicContact CD1-CZ 4Å; F250-F291 HydrophobicContact CG-CE2 4.28Å; F250-F291 AromaticContact CG-CZ 3.84Å; F250-F291 HydrophobicContact CG-CZ 3.84Å; T287-F291 WeakPolarHBondContact O-CB 3.46Å; T287-F291 WeakPolarHBondContact O-CD2 3.29Å; T287-F291 PolarHBondContact O-N 2.96Å; F291-L295 HydrophobicContact CB-CD2 4.5Å; F291-G297 VanDerWaalsContact CD1-O 3.26Å; F291-G297 WeakPolarHBondContact CD1-O 3.39Å; F291-G297 WeakPolarHBondContact O-CA 3.37Å; F291-G297 PolarHBondContact O-N 3.18Å; F291-L299 HydrophobicContact CD1-CB 4.4Å; F291-L299 HydrophobicContact CE1-CB 3.67Å; F291-L299 HydrophobicContact CZ-CB 4.12Å; F291-L299 HydrophobicContact CZ-CD2 4.37Å
292	G	88.1	Confident	83.3	Confident	29 Å²	29	56 Å²	56	30%	0.299	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.3	173.1	-177.1	0	0	0	0	0	113.5	T288 D294 L295	T288-G292 WeakPolarHBondContact O-CA 3.33Å; T288-G292 PolarHBondContact O-N 3.07Å; G292-D294 PolarHBondContact O-N 2.93Å; G292-L295 PolarHBondContact O-N 3.35Å; G292-L295 VanDerWaalsContact O-N 3.13Å
293	E	86.6	Confident	85	Confident	184 Å²	184	58.8 Å²	58.8	86%	0.86	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-26	-179.2	-64.1	-177.7	175.3	0	0	113.1	T288 L295	T288-E293 HydrophobicContact CG2-CB 4.49Å; T288-E293 HydrophobicContact CG2-CG 3.93Å; E293-L295 VanDerWaalsContact C-N 3.35Å
294	D	86.8	Confident	86.3	Confident	103 Å²	103	58 Å²	58	55%	0.551	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-5.6	178.4	68.1	-13.4	0	0	0	113.4	G292 K296	G292-D294 PolarHBondContact O-N 2.93Å; D294-K296 WeakPolarHBondContact O-CG 3.45Å; D294-K296 PolarHBondContact O-N 3.34Å; D294-K296 VanDerWaalsContact O-N 3.11Å; D294-K296 PolarHBondContact OD1-N 3.34Å
295	L	85.6	Confident	87.5	Confident	77 Å²	77	54.4 Å²	54.4	40%	0.403	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.1	21	-177.9	-57.6	175.4	0	0	0	114.2	L247 F291 G292 E293	L247-L295 HydrophobicContact CD2-CB 4.38Å; F291-L295 HydrophobicContact CB-CD2 4.5Å; G292-L295 PolarHBondContact O-N 3.35Å; G292-L295 VanDerWaalsContact O-N 3.13Å; E293-L295 VanDerWaalsContact C-N 3.35Å
296	K	86.6	Confident	88.5	Confident	172 Å²	172	57.3 Å²	57.3	75%	0.748	31%	0.309	S	S	*	.			trans	-109	-4.9	-179.4	-70.6	173.1	-174.2	177	0	112.9	D294	D294-K296 WeakPolarHBondContact O-CG 3.45Å; D294-K296 PolarHBondContact O-N 3.34Å; D294-K296 VanDerWaalsContact O-N 3.11Å; D294-K296 PolarHBondContact OD1-N 3.34Å
297	G	86.9	Confident	89.1	Confident	27 Å²	27	57.5 Å²	57.5	28%	0.278	31%	0.309	S	S	.	.			trans	-56.7	162	170.1	0	0	0	0	0	111	F291	F291-G297 VanDerWaalsContact CD1-O 3.26Å; F291-G297 WeakPolarHBondContact CD1-O 3.39Å; F291-G297 WeakPolarHBondContact O-CA 3.37Å; F291-G297 PolarHBondContact O-N 3.18Å
298	K	88.5	Confident	89.5	Confident	96 Å²	96	57 Å²	57	42%	0.417	31%	0.306	S	S	.	.			trans	-118	142.9	173.8	-66.3	-179.1	163.7	-168	0	109.4	D242 E244	D242-K298 IonicContact OD2-NZ 3.55Å; D242-K298 PolarHBondContact OD2-NZ 2.97Å; E244-K298 HydrophobicContact CB-CB 3.86Å; E244-K298 HydrophobicContact CB-CD 4.08Å; E244-K298 WeakPolarHBondContact OE2-CB 3.4Å; E244-K298 WeakPolarHBondContact OE2-CD 3.48Å
299	L	91.1	Very high	89.9	Confident	5 Å²	5	60.4 Å²	60.4	3%	0.026	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	118.3	-177.1	178.5	63.2	0	0	0	110.3	F234 V245 F250 F290 F291 F304	F234-L299 HydrophobicContact CE1-CD2 4.12Å; F234-L299 HydrophobicContact CE1-CG 4.15Å; F234-L299 HydrophobicContact CZ-CD2 3.96Å; F234-L299 HydrophobicContact CZ-CG 4.46Å; V245-L299 PolarHBondContact N-O 2.84Å; V245-L299 PolarHBondContact O-N 2.94Å; F250-L299 HydrophobicContact CD2-CD2 3.79Å; F250-L299 HydrophobicContact CE2-CD2 3.75Å; F250-L299 HydrophobicContact CG-CD2 4.5Å; F250-L299 HydrophobicContact CZ-CD2 4.41Å; F290-L299 HydrophobicContact CB-CD1 4.25Å; F290-L299 HydrophobicContact CB-CD2 4.25Å; F290-L299 HydrophobicContact CD1-CD1 3.63Å; F290-L299 HydrophobicContact CD1-CD2 4.11Å; F290-L299 HydrophobicContact CE1-CD1 4.33Å; F290-L299 HydrophobicContact CG-CD1 4.2Å; F290-L299 HydrophobicContact CG-CD2 4.06Å; F291-L299 HydrophobicContact CD1-CB 4.4Å; F291-L299 HydrophobicContact CE1-CB 3.67Å; F291-L299 HydrophobicContact CZ-CB 4.12Å; F291-L299 HydrophobicContact CZ-CD2 4.37Å; L299-F304 HydrophobicContact CD1-CB 4.34Å; L299-F304 HydrophobicContact CD2-CB 4.22Å; L299-F304 HydrophobicContact CD2-CD2 3.91Å; L299-F304 HydrophobicContact CD2-CG 4.41Å; L299-F304 HydrophobicContact CG-CB 4.34Å
300	T	91.7	Very high	90.1	Very high	44 Å²	44	58.9 Å²	58.9	27%	0.27	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	150.7	172	77.5	0	0	0	0	111.1	E244 G302 S303 F304	E244-T300 HydrophobicContact CG-CG2 4.2Å; T300-G302 PolarHBondContact O-N 3.03Å; T300-S303 PolarHBondContact O-N 3.41Å; T300-S303 PolarHBondContact OG1-N 3.2Å; T300-S303 VanDerWaalsContact OG1-N 3.15Å; T300-S303 PolarHBondContact OG1-OG 2.96Å; T300-S303 VanDerWaalsContact OG1-OG 3.05Å; T300-F304 PolarHBondContact O-N 3.45Å; T300-F304 VanDerWaalsContact O-N 3.11Å
301	I	89.8	Confident	90.3	Very high	42 Å²	42	58 Å²	58	22%	0.215	31%	0.305	C	S	.	.	H	α-helix	trans	-59	-36	172.8	-177.4	59	0	0	0	112.1	F230 E231 F234 F304 L305	F230-I301 HydrophobicContact CB-CD1 4.33Å; E231-I301 HydrophobicContact CG-CD1 4.46Å; E231-I301 HydrophobicContact CG-CG1 4.33Å; F234-I301 HydrophobicContact CB-CB 4.31Å; F234-I301 HydrophobicContact CB-CD1 4.02Å; F234-I301 HydrophobicContact CB-CG1 4.45Å; F234-I301 HydrophobicContact CD1-CB 3.99Å; F234-I301 HydrophobicContact CD1-CD1 4.1Å; F234-I301 HydrophobicContact CD2-CD1 3.86Å; F234-I301 HydrophobicContact CE2-CD1 4.36Å; F234-I301 HydrophobicContact CG-CB 4.27Å; F234-I301 HydrophobicContact CG-CD1 3.72Å; F234-I301 HydrophobicContact CG-CG1 4.47Å; I301-F304 PolarHBondContact O-N 2.98Å; I301-L305 HydrophobicContact CD1-CD1 4.18Å; I301-L305 HydrophobicContact CD1-CD2 4.24Å; I301-L305 HydrophobicContact CD1-CG 3.88Å; I301-L305 HydrophobicContact CG1-CD1 3.96Å; I301-L305 HydrophobicContact CG1-CG 4.11Å; I301-L305 WeakPolarHBondContact O-CB 3.34Å; I301-L305 VanDerWaalsContact O-CG 3.3Å; I301-L305 WeakPolarHBondContact O-CG 3.47Å; I301-L305 PolarHBondContact O-N 3.23Å
302	G	92.1	Very high	90.4	Very high	45 Å²	45	59.4 Å²	59.4	46%	0.464	31%	0.312	S	S	.	.	H	α-helix	trans	-61.6	-48.3	179.4	0	0	0	0	0	111.9	T300 F304 L305 E306	T300-G302 PolarHBondContact O-N 3.03Å; G302-F304 VanDerWaalsContact C-N 3.33Å; G302-F304 PolarHBondContact O-N 3Å; G302-L305 PolarHBondContact O-N 2.96Å; G302-E306 PolarHBondContact O-N 3.34Å
303	S	92.1	Very high	90.7	Very high	69 Å²	69	60.6 Å²	60.6	48%	0.483	31%	0.31	S	S	.	.	H	α-helix	trans	-62.3	-40.1	176.2	-59.4	0	0	0	0	111.9	T300 E306 F307	T300-S303 PolarHBondContact O-N 3.41Å; T300-S303 PolarHBondContact OG1-N 3.2Å; T300-S303 VanDerWaalsContact OG1-N 3.15Å; T300-S303 PolarHBondContact OG1-OG 2.96Å; T300-S303 VanDerWaalsContact OG1-OG 3.05Å; S303-E306 PolarHBondContact O-N 2.94Å; S303-F307 PolarHBondContact O-N 3.23Å
304	F	92.1	Very high	91	Very high	1 Å²	1	52.5 Å²	52.5	0%	0.004	27%	0.272	C	S	.	.	H	α-helix	trans	-68.4	-41.1	178.6	-174.5	-98.6	0	0	0	113.2	F218 V222 F230 F234 F250 F290 L299 T300 I301 G302 E306 F307 Q308	F218-F304 HydrophobicContact CZ-CE2 4.14Å; V222-F304 HydrophobicContact CG2-CZ 4.04Å; F230-F304 HydrophobicContact CB-CD1 4.39Å; F230-F304 HydrophobicContact CB-CE1 4.19Å; F230-F304 HydrophobicContact CD1-CD1 4.35Å; F230-F304 AromaticContact CD1-CE1 3.48Å; F230-F304 HydrophobicContact CD1-CE1 3.48Å; F230-F304 VanDerWaalsContact CD1-CE1 3.48Å; F230-F304 HydrophobicContact CD1-CZ 4.09Å; F230-F304 AromaticContact CD2-CE1 3.87Å; F230-F304 HydrophobicContact CD2-CE1 3.87Å; F230-F304 AromaticContact CE1-CE1 3.67Å; F230-F304 HydrophobicContact CE1-CE1 3.67Å; F230-F304 AromaticContact CE1-CZ 3.85Å; F230-F304 HydrophobicContact CE1-CZ 3.85Å; F230-F304 HydrophobicContact CE2-CE1 4.03Å; F230-F304 HydrophobicContact CG-CD1 4.27Å; F230-F304 AromaticContact CG-CE1 3.58Å; F230-F304 HydrophobicContact CG-CE1 3.58Å; F230-F304 AromaticContact CZ-CE1 3.95Å; F230-F304 HydrophobicContact CZ-CE1 3.95Å; F230-F304 HydrophobicContact CZ-CZ 4.09Å; F234-F304 HydrophobicContact CE1-CB 4.24Å; F234-F304 AromaticContact CE2-CD1 3.9Å; F234-F304 HydrophobicContact CE2-CD1 3.9Å; F234-F304 HydrophobicContact CE2-CE1 4.27Å; F234-F304 HydrophobicContact CE2-CG 4.12Å; F234-F304 HydrophobicContact CZ-CB 3.85Å; F234-F304 AromaticContact CZ-CD1 3.96Å; F234-F304 HydrophobicContact CZ-CD1 3.96Å; F234-F304 HydrophobicContact CZ-CD2 4.15Å; F234-F304 AromaticContact CZ-CG 3.69Å; F234-F304 HydrophobicContact CZ-CG 3.69Å; F250-F304 AromaticContact CE2-CD2 3.95Å; F250-F304 HydrophobicContact CE2-CD2 3.95Å; F250-F304 AromaticContact CE2-CE2 3.64Å; F250-F304 HydrophobicContact CE2-CE2 3.64Å; F250-F304 HydrophobicContact CE2-CZ 4.32Å; F250-F304 HydrophobicContact CZ-CD2 4.38Å; F250-F304 AromaticContact CZ-CE2 3.81Å; F250-F304 HydrophobicContact CZ-CE2 3.81Å; F290-F304 HydrophobicContact CE1-CD2 4.21Å; F290-F304 HydrophobicContact CE2-CE2 4.49Å; F290-F304 HydrophobicContact CZ-CD2 4.02Å; F290-F304 HydrophobicContact CZ-CE2 4.14Å; L299-F304 HydrophobicContact CD1-CB 4.34Å; L299-F304 HydrophobicContact CD2-CB 4.22Å; L299-F304 HydrophobicContact CD2-CD2 3.91Å; L299-F304 HydrophobicContact CD2-CG 4.41Å; L299-F304 HydrophobicContact CG-CB 4.34Å; T300-F304 PolarHBondContact O-N 3.45Å; T300-F304 VanDerWaalsContact O-N 3.11Å; I301-F304 PolarHBondContact O-N 2.98Å; G302-F304 VanDerWaalsContact C-N 3.33Å; G302-F304 PolarHBondContact O-N 3Å; F304-E306 VanDerWaalsContact C-N 3.26Å; F304-E306 PolarHBondContact O-N 3.2Å; F304-F307 HydrophobicContact CE2-CD1 4.44Å; F304-F307 WeakPolarHBondContact O-CB 3.49Å; F304-F307 PolarHBondContact O-N 3.06Å; F304-Q308 PolarHBondContact O-N 3.49Å
305	L	92	Very high	91.3	Very high	23 Å²	23	47.6 Å²	47.6	12%	0.12	25%	0.246	C	C	.	.	H	α-helix	trans	-66	-33	175.2	-69.2	178.8	0	0	0	111.5	Q227 F230 E231 I301 G302 Q308 R309	Q227-L305 HydrophobicContact CB-CD2 3.95Å; Q227-L305 HydrophobicContact CG-CD2 4.01Å; F230-L305 HydrophobicContact CB-CD2 4.43Å; E231-L305 HydrophobicContact CG-CD1 4.06Å; I301-L305 HydrophobicContact CD1-CD1 4.18Å; I301-L305 HydrophobicContact CD1-CD2 4.24Å; I301-L305 HydrophobicContact CD1-CG 3.88Å; I301-L305 HydrophobicContact CG1-CD1 3.96Å; I301-L305 HydrophobicContact CG1-CG 4.11Å; I301-L305 WeakPolarHBondContact O-CB 3.34Å; I301-L305 VanDerWaalsContact O-CG 3.3Å; I301-L305 WeakPolarHBondContact O-CG 3.47Å; I301-L305 PolarHBondContact O-N 3.23Å; G302-L305 PolarHBondContact O-N 2.96Å; L305-Q308 PolarHBondContact O-N 2.89Å; L305-R309 WeakPolarHBondContact O-CB 3.32Å; L305-R309 PolarHBondContact O-N 2.88Å
306	E	93.4	Very high	91.7	Very high	93 Å²	93	44.4 Å²	44.4	44%	0.435	23%	0.229	S	C	.	.	H	α-helix	trans	-67	-43.5	173.1	-166.7	55.5	-149.6	0	0	111.8	G302 S303 F304 Q308 R309 K310	G302-E306 PolarHBondContact O-N 3.34Å; S303-E306 PolarHBondContact O-N 2.94Å; F304-E306 VanDerWaalsContact C-N 3.26Å; F304-E306 PolarHBondContact O-N 3.2Å; E306-Q308 VanDerWaalsContact C-N 3.32Å; E306-Q308 PolarHBondContact O-N 3.34Å; E306-R309 WeakPolarHBondContact O-CB 3.42Å; E306-R309 PolarHBondContact O-N 3.38Å; E306-R309 VanDerWaalsContact O-N 3.15Å; E306-R309 IonicContact OE1-NE 2.98Å; E306-R309 IonicContact OE2-CZ 3.26Å; E306-R309 IonicContact OE2-NE 2.65Å; E306-R309 PolarHBondContact OE2-NE 2.99Å; E306-R309 IonicContact OE2-NH2 3.68Å; E306-R309 PolarHBondContact OE2-NH2 3.32Å; E306-K310 WeakPolarHBondContact O-CB 3.32Å; E306-K310 PolarHBondContact O-N 2.94Å
307	F	92.8	Very high	92	Very high	3 Å²	3	39.4 Å²	39.4	1%	0.013	21%	0.207	C	C	.	.	H	α-helix	trans	-54.9	-47.6	170.4	169.2	-89.7	0	0	0	111.6	I201 L205 F218 L219 V222 L286 Y289 F290 S303 F304 R309 K310 L311	I201-F307 HydrophobicContact CD1-CD2 3.35Å; I201-F307 HydrophobicContact CD1-CE2 3.36Å; I201-F307 HydrophobicContact CD1-CG 4.49Å; I201-F307 HydrophobicContact CD1-CZ 4.49Å; I201-F307 HydrophobicContact CG1-CD2 3.86Å; I201-F307 HydrophobicContact CG1-CE2 3.36Å; I201-F307 HydrophobicContact CG1-CZ 4.11Å; L205-F307 HydrophobicContact CD2-CE2 3.98Å; L205-F307 HydrophobicContact CD2-CZ 4.05Å; F218-F307 AromaticContact CE1-CE1 3.73Å; F218-F307 HydrophobicContact CE1-CE1 3.73Å; F218-F307 AromaticContact CE1-CZ 3.81Å; F218-F307 HydrophobicContact CE1-CZ 3.81Å; F218-F307 HydrophobicContact CZ-CE1 4.14Å; L219-F307 HydrophobicContact CD2-CZ 4.31Å; V222-F307 HydrophobicContact CG1-CE1 4.31Å; L286-F307 HydrophobicContact CD2-CE2 4.48Å; L286-F307 HydrophobicContact CD2-CZ 4.25Å; Y289-F307 HydrophobicContact CD1-CD2 4.29Å; Y289-F307 AromaticContact CE1-CD2 3.64Å; Y289-F307 HydrophobicContact CE1-CD2 3.64Å; Y289-F307 HydrophobicContact CE1-CE2 4.26Å; F290-F307 HydrophobicContact CE1-CB 3.98Å; F290-F307 HydrophobicContact CE1-CD1 4.3Å; F290-F307 AromaticContact CE1-CD2 3.88Å; F290-F307 HydrophobicContact CE1-CD2 3.88Å; F290-F307 HydrophobicContact CE1-CE2 4.47Å; F290-F307 AromaticContact CE1-CG 3.78Å; F290-F307 HydrophobicContact CE1-CG 3.78Å; F290-F307 HydrophobicContact CZ-CB 4.29Å; F290-F307 AromaticContact CZ-CD1 3.74Å; F290-F307 HydrophobicContact CZ-CD1 3.74Å; F290-F307 AromaticContact CZ-CD2 3.72Å; F290-F307 HydrophobicContact CZ-CD2 3.72Å; F290-F307 AromaticContact CZ-CE1 3.97Å; F290-F307 HydrophobicContact CZ-CE1 3.97Å; F290-F307 AromaticContact CZ-CE2 3.92Å; F290-F307 HydrophobicContact CZ-CE2 3.92Å; F290-F307 AromaticContact CZ-CG 3.63Å; F290-F307 HydrophobicContact CZ-CG 3.63Å; F290-F307 HydrophobicContact CZ-CZ 4.06Å; S303-F307 PolarHBondContact O-N 3.23Å; F304-F307 HydrophobicContact CE2-CD1 4.44Å; F304-F307 WeakPolarHBondContact O-CB 3.49Å; F304-F307 PolarHBondContact O-N 3.06Å; F307-R309 VanDerWaalsContact C-N 3.32Å; F307-R309 PolarHBondContact O-N 3.23Å; F307-K310 PolarHBondContact O-N 2.74Å; F307-L311 HydrophobicContact CE1-CD2 4.3Å; F307-L311 WeakPolarHBondContact O-CB 3.46Å; F307-L311 PolarHBondContact O-N 3.29Å
308	Q	92.6	Very high	92.2	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	20%	0.2	C	C	.	.	H	α-helix	trans	-60.7	-41.9	177.6	-179.1	179.2	36.7	0	0	111.6	V222 T225 Q227 F304 L305 E306 L311 Q312	V222-Q308 HydrophobicContact CG1-CB 3.96Å; V222-Q308 HydrophobicContact CG1-CG 3.75Å; V222-Q308 PolarHBondContact O-NE2 2.88Å; T225-Q308 PolarHBondContact O-NE2 2.86Å; Q227-Q308 VanDerWaalsContact CG-OE1 3.3Å; F304-Q308 PolarHBondContact O-N 3.49Å; L305-Q308 PolarHBondContact O-N 2.89Å; E306-Q308 VanDerWaalsContact C-N 3.32Å; E306-Q308 PolarHBondContact O-N 3.34Å; Q308-L311 PolarHBondContact O-N 3.44Å; Q308-Q312 WeakPolarHBondContact O-CG 3.39Å; Q308-Q312 PolarHBondContact O-N 2.72Å
309	R	92.3	Very high	92.4	Very high	123 Å²	123	35.1 Å²	35.1	46%	0.464	18%	0.182	S	C	.	.	H	α-helix	trans	-62.9	-47.2	178.3	-163.8	-161.2	-40.9	-118.6	-1	110.9	L305 E306 F307 Q312 H313	L305-R309 WeakPolarHBondContact O-CB 3.32Å; L305-R309 PolarHBondContact O-N 2.88Å; E306-R309 WeakPolarHBondContact O-CB 3.42Å; E306-R309 PolarHBondContact O-N 3.38Å; E306-R309 VanDerWaalsContact O-N 3.15Å; E306-R309 IonicContact OE1-NE 2.98Å; E306-R309 IonicContact OE2-CZ 3.26Å; E306-R309 IonicContact OE2-NE 2.65Å; E306-R309 PolarHBondContact OE2-NE 2.99Å; E306-R309 IonicContact OE2-NH2 3.68Å; E306-R309 PolarHBondContact OE2-NH2 3.32Å; F307-R309 VanDerWaalsContact C-N 3.32Å; F307-R309 PolarHBondContact O-N 3.23Å; R309-Q312 PolarHBondContact O-N 2.68Å; R309-H313 WeakPolarHBondContact O-CB 3.31Å; R309-H313 PolarHBondContact O-N 3.04Å
310	K	93.1	Very high	92.5	Very high	78 Å²	78	35.3 Å²	35.3	34%	0.339	18%	0.183	S	C	.	.	H	α-helix	trans	-62	-43.5	177.5	-169.7	174.7	-179	-177.7	0	111.5	D199 I201 E306 F307 Q312 H313 D314	D199-K310 WeakPolarHBondContact O-CE 3.25Å; D199-K310 PolarHBondContact O-NZ 2.75Å; I201-K310 HydrophobicContact CD1-CD 4.27Å; E306-K310 WeakPolarHBondContact O-CB 3.32Å; E306-K310 PolarHBondContact O-N 2.94Å; F307-K310 PolarHBondContact O-N 2.74Å; K310-Q312 PolarHBondContact O-N 3.22Å; K310-H313 WeakPolarHBondContact O-CB 3.49Å; K310-H313 PolarHBondContact O-N 3.05Å; K310-D314 PolarHBondContact O-N 2.99Å
311	L	92.7	Very high	92.5	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-60.2	-44.6	174.8	176.5	62.8	0	0	0	112.4	I201 F202 L219 V222 L223 F307 Q308 H313 D314 V315	I201-L311 HydrophobicContact CG2-CB 4.33Å; I201-L311 HydrophobicContact CG2-CD1 3.66Å; F202-L311 HydrophobicContact CE1-CD1 4.22Å; F202-L311 HydrophobicContact CZ-CD1 4.05Å; L219-L311 HydrophobicContact CB-CD2 4.47Å; L219-L311 HydrophobicContact CD2-CD1 3.86Å; L219-L311 HydrophobicContact CD2-CD2 3.66Å; L219-L311 HydrophobicContact CD2-CG 4.42Å; V222-L311 HydrophobicContact CB-CD2 4.22Å; V222-L311 HydrophobicContact CG1-CD2 3.97Å; L223-L311 HydrophobicContact CD2-CD2 4.15Å; L223-L311 HydrophobicContact CD2-CG 3.97Å; L223-L311 HydrophobicContact CG-CD2 3.95Å; L223-L311 HydrophobicContact CG-CG 4.21Å; F307-L311 HydrophobicContact CE1-CD2 4.3Å; F307-L311 WeakPolarHBondContact O-CB 3.46Å; F307-L311 PolarHBondContact O-N 3.29Å; Q308-L311 PolarHBondContact O-N 3.44Å; L311-H313 VanDerWaalsContact C-N 3.32Å; L311-H313 PolarHBondContact O-N 3.45Å; L311-D314 PolarHBondContact O-N 3.14Å; L311-V315 HydrophobicContact CD1-CG2 4.12Å; L311-V315 WeakPolarHBondContact O-CB 3.35Å; L311-V315 WeakPolarHBondContact O-CG2 3.31Å; L311-V315 PolarHBondContact O-N 2.97Å
312	Q	92.2	Very high	92.5	Very high	32 Å²	32	37 Å²	37	15%	0.15	19%	0.185	C	C	.	.	H	α-helix	trans	-64.2	-38.5	176.9	-73.3	177.4	-1.5	0	0	112.4	L223 Q308 R309 K310 L316	L223-Q312 HydrophobicContact CD2-CG 3.78Å; Q308-Q312 WeakPolarHBondContact O-CG 3.39Å; Q308-Q312 PolarHBondContact O-N 2.72Å; R309-Q312 PolarHBondContact O-N 2.68Å; K310-Q312 PolarHBondContact O-N 3.22Å; Q312-L316 WeakPolarHBondContact O-CB 3.37Å; Q312-L316 PolarHBondContact O-N 3.38Å
313	H	93	Very high	92.3	Very high	55 Å²	55	36.6 Å²	36.6	26%	0.255	17%	0.172	S	C	.	.	H	α-helix	trans	-63.5	-51.2	175.8	170.3	-88.2	0	0	0	111.2	R309 K310 L311 V315 L316 K317 F369 E373	R309-H313 WeakPolarHBondContact O-CB 3.31Å; R309-H313 PolarHBondContact O-N 3.04Å; K310-H313 WeakPolarHBondContact O-CB 3.49Å; K310-H313 PolarHBondContact O-N 3.05Å; L311-H313 VanDerWaalsContact C-N 3.32Å; L311-H313 PolarHBondContact O-N 3.45Å; H313-V315 VanDerWaalsContact C-N 3.33Å; H313-V315 PolarHBondContact O-N 3.44Å; H313-L316 CarbonylContact O-C 3.23Å; H313-L316 WeakPolarHBondContact O-CA 3.47Å; H313-L316 WeakPolarHBondContact O-CB 3.29Å; H313-L316 PolarHBondContact O-N 3.24Å; H313-K317 PolarHBondContact O-N 3.5Å; H313-F369 AromaticContact NE2-CE1 3.42Å; H313-F369 WeakPolarHBondContact NE2-CE1 3.3Å; H313-F369 AromaticContact NE2-CZ 3.62Å; H313-E373 IonicContact CD2-OE1 3.29Å; H313-E373 PolarHBondContact CD2-OE1 3.42Å; H313-E373 IonicContact NE2-OE1 3.9Å
314	D	93.4	Very high	92.2	Very high	14 Å²	14	38 Å²	38	8%	0.075	17%	0.174	C	C	.	.	H	α-helix	trans	-63.7	-39.4	-179.3	-74.6	10.3	0	0	0	111.9	S200 I201 F202 K310 L311 L316 K317 L318	S200-D314 WeakPolarHBondContact CA-OD2 3.38Å; S200-D314 PolarHBondContact OG-OD2 3.04Å; I201-D314 HydrophobicContact CG2-CB 4.31Å; I201-D314 PolarHBondContact N-OD2 3.21Å; F202-D314 HydrophobicContact CE2-CB 4.18Å; K310-D314 PolarHBondContact O-N 2.99Å; L311-D314 PolarHBondContact O-N 3.14Å; D314-L316 VanDerWaalsContact C-N 3.31Å; D314-L316 PolarHBondContact O-N 3.47Å; D314-K317 PolarHBondContact O-N 2.91Å; D314-L318 WeakPolarHBondContact O-CG 3.31Å; D314-L318 PolarHBondContact O-N 3.23Å
315	V	92.8	Very high	92.1	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-60.4	-41.9	172.4	164.2	0	0	0	0	111.2	F155 I156 I159 F202 L223 L311 H313 E319	F155-V315 HydrophobicContact CE1-CG2 4.11Å; I156-V315 HydrophobicContact CD1-CB 4Å; I156-V315 HydrophobicContact CD1-CG1 3.64Å; I156-V315 HydrophobicContact CD1-CG2 3.98Å; I159-V315 HydrophobicContact CD1-CG1 4.12Å; F202-V315 HydrophobicContact CZ-CG2 3.96Å; L223-V315 HydrophobicContact CD1-CG2 3.99Å; L223-V315 HydrophobicContact CD2-CG2 4.31Å; L311-V315 HydrophobicContact CD1-CG2 4.12Å; L311-V315 WeakPolarHBondContact O-CB 3.35Å; L311-V315 WeakPolarHBondContact O-CG2 3.31Å; L311-V315 PolarHBondContact O-N 2.97Å; H313-V315 VanDerWaalsContact C-N 3.33Å; H313-V315 PolarHBondContact O-N 3.44Å; V315-E319 WeakPolarHBondContact O-CG 3.16Å; V315-E319 PolarHBondContact O-N 2.83Å
316	L	93.6	Very high	92	Very high	9 Å²	9	43.7 Å²	43.7	5%	0.047	21%	0.21	C	C	.	.	H	α-helix	trans	-68.1	-39.6	176.9	-176	64.3	0	0	0	111.8	Q312 H313 D314 E319 F320 F369 V372 F376	Q312-L316 WeakPolarHBondContact O-CB 3.37Å; Q312-L316 PolarHBondContact O-N 3.38Å; H313-L316 CarbonylContact O-C 3.23Å; H313-L316 WeakPolarHBondContact O-CA 3.47Å; H313-L316 WeakPolarHBondContact O-CB 3.29Å; H313-L316 PolarHBondContact O-N 3.24Å; D314-L316 VanDerWaalsContact C-N 3.31Å; D314-L316 PolarHBondContact O-N 3.47Å; L316-E319 PolarHBondContact O-N 2.73Å; L316-F320 WeakPolarHBondContact O-CB 3.48Å; L316-F320 PolarHBondContact O-N 2.9Å; L316-F369 HydrophobicContact CG-CE2 4.33Å; L316-V372 HydrophobicContact CD1-CG1 4.25Å; L316-V372 HydrophobicContact CD2-CG1 4.45Å; L316-F376 HydrophobicContact CD1-CD1 4.05Å; L316-F376 HydrophobicContact CD1-CD2 3.9Å; L316-F376 HydrophobicContact CD1-CE1 4.06Å; L316-F376 HydrophobicContact CD1-CE2 3.92Å; L316-F376 HydrophobicContact CD1-CG 3.97Å; L316-F376 HydrophobicContact CD1-CZ 4Å; L316-F376 HydrophobicContact CD2-CB 3.76Å; L316-F376 HydrophobicContact CD2-CD1 4.43Å; L316-F376 HydrophobicContact CD2-CD2 4.09Å; L316-F376 HydrophobicContact CD2-CG 3.83Å
317	K	93.6	Very high	91.8	Very high	68 Å²	68	46.7 Å²	46.7	30%	0.296	23%	0.229	S	C	.	.	H	α-helix	trans	-60.7	-47.6	174.9	-172.8	-177.6	173.5	-160.7	0	111.1	D197 H313 D314 E319 F320 E321 F369	D197-K317 IonicContact OD2-NZ 2.72Å; D197-K317 PolarHBondContact OD2-NZ 3.41Å; H313-K317 PolarHBondContact O-N 3.5Å; D314-K317 PolarHBondContact O-N 2.91Å; K317-E319 VanDerWaalsContact C-N 3.35Å; K317-E319 PolarHBondContact O-N 3.08Å; K317-F320 WeakPolarHBondContact O-CB 3.39Å; K317-F320 PolarHBondContact O-N 3.11Å; K317-F320 VanDerWaalsContact O-N 3.1Å; K317-E321 WeakPolarHBondContact CE-OE1 3.44Å; K317-E321 IonicContact NZ-OE1 2.63Å; K317-E321 WeakPolarHBondContact O-CG 3.4Å; K317-E321 PolarHBondContact O-N 2.6Å; K317-F369 VanDerWaalsContact CA-CE2 3.47Å; K317-F369 HydrophobicContact CB-CE2 3.92Å; K317-F369 HydrophobicContact CB-CZ 3.75Å; K317-F369 HydrophobicContact CG-CE2 4.34Å; K317-F369 HydrophobicContact CG-CZ 4.18Å
318	L	92	Very high	91.6	Very high	23 Å²	23	48.5 Å²	48.5	12%	0.12	25%	0.249	C	C	.	.	H	α-helix	trans	-64.3	-37.6	175.8	-67.5	174.2	0	0	0	112.4	P152 I156 F202 D314 F320 R322	P152-L318 HydrophobicContact CB-CD1 3.72Å; I156-L318 HydrophobicContact CD1-CB 4.19Å; I156-L318 HydrophobicContact CD1-CD1 4.32Å; I156-L318 HydrophobicContact CG1-CB 3.76Å; I156-L318 HydrophobicContact CG1-CD1 3.98Å; F202-L318 HydrophobicContact CD2-CD1 3.93Å; F202-L318 HydrophobicContact CE2-CD1 3.42Å; F202-L318 VanDerWaalsContact CE2-CD1 3.42Å; F202-L318 HydrophobicContact CZ-CD1 4.2Å; D314-L318 WeakPolarHBondContact O-CG 3.31Å; D314-L318 PolarHBondContact O-N 3.23Å; L318-F320 VanDerWaalsContact C-N 3.3Å; L318-F320 PolarHBondContact O-N 3.15Å; L318-R322 VanDerWaalsContact O-CB 3.24Å; L318-R322 WeakPolarHBondContact O-CB 3.32Å; L318-R322 PolarHBondContact O-N 3.33Å; L318-R322 VanDerWaalsContact O-N 3.09Å
319	E	91.4	Very high	91.7	Very high	10 Å²	10	53.5 Å²	53.5	5%	0.047	27%	0.268	C	S	.	.	H	α-helix	trans	-63.1	-36.6	172.2	-78.2	-173	-158.2	0	0	112.1	I156 V315 L316 K317 N323 M338 Y342 R448	I156-E319 HydrophobicContact CG2-CG 3.62Å; V315-E319 WeakPolarHBondContact O-CG 3.16Å; V315-E319 PolarHBondContact O-N 2.83Å; L316-E319 PolarHBondContact O-N 2.73Å; K317-E319 VanDerWaalsContact C-N 3.35Å; K317-E319 PolarHBondContact O-N 3.08Å; E319-N323 PolarHBondContact O-ND2 2.84Å; E319-M338 HydrophobicContact CB-SD 4.46Å; E319-Y342 PolarHBondContact OE1-OH 2.89Å; E319-R448 IonicContact OE2-CZ 2.78Å; E319-R448 IonicContact OE2-NH1 2.64Å; E319-R448 PolarHBondContact OE2-NH1 3.32Å; E319-R448 IonicContact OE2-NH2 3.97Å; E319-R448 PolarHBondContact OE2-NH2 3.04Å
320	F	93.7	Very high	91.7	Very high	8 Å²	8	47.7 Å²	47.7	4%	0.035	25%	0.246	C	C	.	.	H	α-helix	trans	-69.2	-52.3	176.4	-179.9	-91.2	0	0	0	111.8	L316 K317 L318 R322 N323 P325 G328 I330 F369 V372	L316-F320 WeakPolarHBondContact O-CB 3.48Å; L316-F320 PolarHBondContact O-N 2.9Å; K317-F320 WeakPolarHBondContact O-CB 3.39Å; K317-F320 PolarHBondContact O-N 3.11Å; K317-F320 VanDerWaalsContact O-N 3.1Å; L318-F320 VanDerWaalsContact C-N 3.3Å; L318-F320 PolarHBondContact O-N 3.15Å; F320-R322 PolarHBondContact O-N 3.36Å; F320-N323 WeakPolarHBondContact O-CB 3.22Å; F320-N323 PolarHBondContact O-N 3.32Å; F320-P325 HydrophobicContact CD1-CB 4.49Å; F320-P325 HydrophobicContact CD1-CG 4.2Å; F320-P325 HydrophobicContact CE1-CB 3.74Å; F320-P325 HydrophobicContact CE1-CG 3.83Å; F320-P325 HydrophobicContact CZ-CB 4.15Å; F320-G328 WeakPolarHBondContact CZ-O 3.39Å; F320-I330 HydrophobicContact CD2-CD1 3.83Å; F320-I330 HydrophobicContact CD2-CG1 4.25Å; F320-I330 HydrophobicContact CD2-CG2 3.91Å; F320-I330 HydrophobicContact CE1-CG2 4.24Å; F320-I330 HydrophobicContact CE2-CB 4.16Å; F320-I330 HydrophobicContact CE2-CD1 3.75Å; F320-I330 HydrophobicContact CE2-CG1 3.67Å; F320-I330 HydrophobicContact CE2-CG2 3.56Å; F320-I330 HydrophobicContact CG-CG2 4.4Å; F320-I330 HydrophobicContact CZ-CG1 4.41Å; F320-I330 HydrophobicContact CZ-CG2 3.73Å; F320-F369 HydrophobicContact CB-CD2 3.8Å; F320-F369 HydrophobicContact CB-CE2 4.19Å; F320-F369 HydrophobicContact CD1-CB 4.13Å; F320-F369 AromaticContact CD1-CD2 3.99Å; F320-F369 HydrophobicContact CD1-CD2 3.99Å; F320-F369 HydrophobicContact CD1-CG 4.44Å; F320-F369 HydrophobicContact CD2-CB 4.45Å; F320-F369 HydrophobicContact CD2-CD2 4.04Å; F320-F369 HydrophobicContact CE1-CB 3.9Å; F320-F369 HydrophobicContact CE2-CB 4.22Å; F320-F369 HydrophobicContact CG-CB 4.41Å; F320-F369 AromaticContact CG-CD2 3.69Å; F320-F369 HydrophobicContact CG-CD2 3.69Å; F320-F369 HydrophobicContact CZ-CB 3.95Å; F320-V372 HydrophobicContact CD2-CB 4.5Å; F320-V372 HydrophobicContact CD2-CG2 4.02Å; F320-V372 HydrophobicContact CE2-CG2 4.01Å
321	E	92	Very high	91.7	Very high	75 Å²	75	46.9 Å²	46.9	35%	0.35	25%	0.248	S	C	.	.	H	α-helix	trans	-60	-34	-179.6	-73.2	176.5	173.2	0	0	112.6	K317 N323 D324 P325	K317-E321 WeakPolarHBondContact CE-OE1 3.44Å; K317-E321 IonicContact NZ-OE1 2.63Å; K317-E321 WeakPolarHBondContact O-CG 3.4Å; K317-E321 PolarHBondContact O-N 2.6Å; E321-N323 PolarHBondContact O-N 3.24Å; E321-N323 VanDerWaalsContact O-N 3.14Å; E321-D324 PolarHBondContact O-N 2.67Å; E321-P325 VanDerWaalsContact O-CD 3.27Å; E321-P325 WeakPolarHBondContact O-CD 3.5Å
322	R	88.8	Confident	91.5	Very high	48 Å²	48	47.2 Å²	47.2	18%	0.181	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-21	175.2	-178	176.3	-178.1	134.4	4.6	113.8	E163 L318 F320 D324	E163-R322 IonicContact OE2-CZ 3.15Å; E163-R322 VanDerWaalsContact OE2-CZ 3.28Å; E163-R322 IonicContact OE2-NE 3.63Å; E163-R322 PolarHBondContact OE2-NE 3.2Å; E163-R322 VanDerWaalsContact OE2-NE 3.08Å; E163-R322 IonicContact OE2-NH2 2.82Å; E163-R322 PolarHBondContact OE2-NH2 2.86Å; L318-R322 VanDerWaalsContact O-CB 3.24Å; L318-R322 WeakPolarHBondContact O-CB 3.32Å; L318-R322 PolarHBondContact O-N 3.33Å; L318-R322 VanDerWaalsContact O-N 3.09Å; F320-R322 PolarHBondContact O-N 3.36Å; R322-D324 PolarHBondContact O-N 3.43Å
323	N	88.4	Confident	91.3	Very high	35 Å²	35	51.3 Å²	51.3	19%	0.187	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	8.3	174.4	-71.3	-65.4	0	0	0	113.1	E319 F320 E321 I330 Q334	E319-N323 PolarHBondContact O-ND2 2.84Å; F320-N323 WeakPolarHBondContact O-CB 3.22Å; F320-N323 PolarHBondContact O-N 3.32Å; E321-N323 PolarHBondContact O-N 3.24Å; E321-N323 VanDerWaalsContact O-N 3.14Å; N323-I330 HydrophobicContact CB-CG2 3.88Å; N323-Q334 HydrophobicContact CB-CB 4.27Å; N323-Q334 HydrophobicContact CB-CG 4.39Å; N323-Q334 PolarHBondContact O-NE2 3.23Å
324	D	89.2	Confident	91.1	Very high	98 Å²	98	51.1 Å²	51.1	52%	0.524	26%	0.263	S	S	.	.			trans	54.4	59.7	179.4	-50.6	-53.6	0	0	0	111.1	K104 E321 R322 V326	K104-D324 IonicContact NZ-OD2 3.38Å; K104-D324 PolarHBondContact NZ-OD2 3.44Å; E321-D324 PolarHBondContact O-N 2.67Å; R322-D324 PolarHBondContact O-N 3.43Å; D324-V326 PolarHBondContact O-N 3.26Å
325	P	90.8	Very high	91	Very high	41 Å²	41	50.5 Å²	50.5	27%	0.266	26%	0.259	S	S	.	.			trans	-60	134.8	-178.1	25.5	-33.1	0	0	0	110.9	F320 E321 R329 I330	F320-P325 HydrophobicContact CD1-CB 4.49Å; F320-P325 HydrophobicContact CD1-CG 4.2Å; F320-P325 HydrophobicContact CE1-CB 3.74Å; F320-P325 HydrophobicContact CE1-CG 3.83Å; F320-P325 HydrophobicContact CZ-CB 4.15Å; E321-P325 VanDerWaalsContact O-CD 3.27Å; E321-P325 WeakPolarHBondContact O-CD 3.5Å; P325-R329 CarbonylContact C-O 3.58Å; P325-R329 VanDerWaalsContact CA-O 3.26Å; P325-R329 WeakPolarHBondContact CA-O 3.37Å; P325-I330 HydrophobicContact CB-CG2 3.91Å
326	V	90.4	Very high	90.8	Very high	103 Å²	103	50.5 Å²	50.5	62%	0.624	26%	0.259	S	S	*	.	B	Isolated β-bridge	trans	-97.6	124.4	175.1	-176.5	0	0	0	0	107.1	D324 G328 R329	D324-V326 PolarHBondContact O-N 3.26Å; V326-G328 PolarHBondContact O-N 3.42Å; V326-G328 VanDerWaalsContact O-N 3.17Å; V326-R329 PolarHBondContact N-O 2.65Å; V326-R329 PolarHBondContact O-N 3.26Å
327	D	88.5	Confident	90.5	Very high	156 Å²	156	51 Å²	51	83%	0.834	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	36.6	-175	-54.6	-38	0	0	0	113.4	R329	D327-R329 VanDerWaalsContact C-N 3.27Å; D327-R329 PolarHBondContact O-N 3.2Å
328	G	90	Very high	90.3	Very high	42 Å²	42	48.2 Å²	48.2	43%	0.433	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	74	13.2	-178.8	0	0	0	0	0	114.8	F320 V326	F320-G328 WeakPolarHBondContact CZ-O 3.39Å; V326-G328 PolarHBondContact O-N 3.42Å; V326-G328 VanDerWaalsContact O-N 3.17Å
329	R	93	Very high	90.1	Very high	106 Å²	106	47.1 Å²	47.1	40%	0.4	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	137.6	179.7	-64.5	176.7	-177.7	-87.5	-8	112	P325 V326 D327 Q365 G366 I367 T368	P325-R329 CarbonylContact C-O 3.58Å; P325-R329 VanDerWaalsContact CA-O 3.26Å; P325-R329 WeakPolarHBondContact CA-O 3.37Å; V326-R329 PolarHBondContact N-O 2.65Å; V326-R329 PolarHBondContact O-N 3.26Å; D327-R329 VanDerWaalsContact C-N 3.27Å; D327-R329 PolarHBondContact O-N 3.2Å; R329-Q365 WeakPolarHBondContact CD-O 3.41Å; R329-Q365 PolarHBondContact NH1-O 3.38Å; R329-G366 PolarHBondContact NH1-O 3.43Å; R329-I367 WeakPolarHBondContact CA-O 3.38Å; R329-T368 HydrophobicContact CG-CG2 4.1Å
330	I	93.6	Very high	89.8	Confident	1 Å²	1	46.7 Å²	46.7	1%	0.005	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	152.7	169.1	63	175.1	0	0	0	110.5	F320 N323 P325 Q334 F335 M338 G366 I367 V372	F320-I330 HydrophobicContact CD2-CD1 3.83Å; F320-I330 HydrophobicContact CD2-CG1 4.25Å; F320-I330 HydrophobicContact CD2-CG2 3.91Å; F320-I330 HydrophobicContact CE1-CG2 4.24Å; F320-I330 HydrophobicContact CE2-CB 4.16Å; F320-I330 HydrophobicContact CE2-CD1 3.75Å; F320-I330 HydrophobicContact CE2-CG1 3.67Å; F320-I330 HydrophobicContact CE2-CG2 3.56Å; F320-I330 HydrophobicContact CG-CG2 4.4Å; F320-I330 HydrophobicContact CZ-CG1 4.41Å; F320-I330 HydrophobicContact CZ-CG2 3.73Å; N323-I330 HydrophobicContact CB-CG2 3.88Å; P325-I330 HydrophobicContact CB-CG2 3.91Å; I330-Q334 HydrophobicContact CB-CB 4.35Å; I330-F335 HydrophobicContact CD1-CB 3.8Å; I330-F335 HydrophobicContact CD1-CD2 4.21Å; I330-F335 HydrophobicContact CD1-CG 4.49Å; I330-F335 HydrophobicContact CG1-CB 4.34Å; I330-M338 HydrophobicContact CD1-CE 4.08Å; I330-G366 CarbonylContact O-C 3.43Å; I330-G366 VanDerWaalsContact O-CA 3.31Å; I330-G366 WeakPolarHBondContact O-CA 3.37Å; I330-I367 HydrophobicContact CG1-CB 4.24Å; I330-I367 PolarHBondContact N-O 3.41Å; I330-I367 PolarHBondContact O-N 3.15Å; I330-V372 HydrophobicContact CD1-CG2 4.15Å
331	T	91.6	Very high	89.4	Confident	60 Å²	60	47 Å²	47	37%	0.368	25%	0.251	S	S	.	.			trans	-69.7	153	173.9	64.3	0	0	0	0	111.2	R333 Q334 F335	T331-R333 PolarHBondContact O-N 3.49Å; T331-Q334 WeakPolarHBondContact O-CA 3.5Å; T331-Q334 WeakPolarHBondContact O-CB 3.43Å; T331-Q334 PolarHBondContact O-N 3.03Å; T331-Q334 VanDerWaalsContact OG1-CG 3.24Å; T331-Q334 WeakPolarHBondContact OG1-CG 3.5Å; T331-Q334 PolarHBondContact OG1-N 3.46Å; T331-Q334 PolarHBondContact OG1-OE1 2.77Å; T331-F335 PolarHBondContact O-N 3.11Å
332	E	90	Very high	88.9	Confident	8 Å²	8	44 Å²	44	4%	0.037	24%	0.236	C	C	.	.	H	α-helix	trans	-58.2	-34.8	178	-61.6	74.2	-163.2	0	0	110.9	F335 G336 F361 Q365 G366 H419 V423	E332-F335 PolarHBondContact O-N 3.02Å; E332-G336 PolarHBondContact O-N 3.03Å; E332-F361 HydrophobicContact CG-CB 4.23Å; E332-F361 HydrophobicContact CG-CD2 4.47Å; E332-F361 HydrophobicContact CG-CG 4.17Å; E332-Q365 PolarHBondContact OE1-N 3.11Å; E332-G366 PolarHBondContact OE1-N 3.07Å; E332-H419 IonicContact OE1-CE1 2.99Å; E332-H419 PolarHBondContact OE1-CE1 3.31Å; E332-H419 IonicContact OE1-NE2 2.74Å; E332-H419 PolarHBondContact OE1-NE2 3.11Å; E332-V423 HydrophobicContact CB-CG1 4.21Å; E332-V423 HydrophobicContact CB-CG2 3.89Å; E332-V423 HydrophobicContact CG-CG2 3.57Å
333	R	87.5	Confident	88.1	Confident	117 Å²	117	42.1 Å²	42.1	44%	0.442	23%	0.231	S	C	.	.	H	α-helix	trans	-64.9	-42.3	174.4	-177.9	179.3	176.8	169.6	2.4	112.3	T331 G337 Q354	T331-R333 PolarHBondContact O-N 3.49Å; R333-G337 PolarHBondContact O-N 3.21Å; R333-Q354 HydrophobicContact CG-CB 4.28Å; R333-Q354 HydrophobicContact CG-CG 4.25Å; R333-Q354 VanDerWaalsContact NH2-OE1 3.11Å
334	Q	89.1	Confident	87.1	Confident	52 Å²	52	43.4 Å²	43.4	24%	0.243	25%	0.253	C	S	.	.	H	α-helix	trans	-67.2	-44.2	177.3	-75	162.2	-41.1	0	0	110.4	N323 I330 T331 G336 G337 M338	N323-Q334 HydrophobicContact CB-CB 4.27Å; N323-Q334 HydrophobicContact CB-CG 4.39Å; N323-Q334 PolarHBondContact O-NE2 3.23Å; I330-Q334 HydrophobicContact CB-CB 4.35Å; T331-Q334 WeakPolarHBondContact O-CA 3.5Å; T331-Q334 WeakPolarHBondContact O-CB 3.43Å; T331-Q334 PolarHBondContact O-N 3.03Å; T331-Q334 VanDerWaalsContact OG1-CG 3.24Å; T331-Q334 WeakPolarHBondContact OG1-CG 3.5Å; T331-Q334 PolarHBondContact OG1-N 3.46Å; T331-Q334 PolarHBondContact OG1-OE1 2.77Å; Q334-G336 PolarHBondContact O-N 3.09Å; Q334-G337 PolarHBondContact O-N 3.29Å; Q334-G337 VanDerWaalsContact O-N 3.16Å; Q334-M338 WeakPolarHBondContact O-CB 3.42Å; Q334-M338 PolarHBondContact O-N 3.49Å
335	F	90.9	Very high	86	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-57.6	-48	174.1	179	-114.8	0	0	0	112.2	I330 T331 E332 G337 M338 L339 I367 V372 F375 V420 V423 V424	I330-F335 HydrophobicContact CD1-CB 3.8Å; I330-F335 HydrophobicContact CD1-CD2 4.21Å; I330-F335 HydrophobicContact CD1-CG 4.49Å; I330-F335 HydrophobicContact CG1-CB 4.34Å; T331-F335 PolarHBondContact O-N 3.11Å; E332-F335 PolarHBondContact O-N 3.02Å; F335-G337 VanDerWaalsContact C-N 3.32Å; F335-G337 PolarHBondContact O-N 2.9Å; F335-M338 HydrophobicContact CD2-CE 3.74Å; F335-M338 HydrophobicContact CE2-CE 4.19Å; F335-M338 WeakPolarHBondContact O-CB 3.31Å; F335-M338 PolarHBondContact O-N 3.25Å; F335-M338 VanDerWaalsContact O-N 3.12Å; F335-L339 HydrophobicContact CD1-CD1 4.16Å; F335-L339 HydrophobicContact CE1-CD1 3.59Å; F335-L339 HydrophobicContact CE1-CG 4.25Å; F335-L339 HydrophobicContact CE2-CD1 4.37Å; F335-L339 HydrophobicContact CE2-CD2 4.24Å; F335-L339 HydrophobicContact CE2-CG 4.21Å; F335-L339 HydrophobicContact CZ-CD1 3.71Å; F335-L339 HydrophobicContact CZ-CD2 4.18Å; F335-L339 HydrophobicContact CZ-CG 4.04Å; F335-L339 PolarHBondContact O-N 3.12Å; F335-I367 HydrophobicContact CB-CD1 3.64Å; F335-I367 HydrophobicContact CD1-CD1 3.32Å; F335-I367 HydrophobicContact CD2-CD1 4.27Å; F335-I367 HydrophobicContact CE1-CD1 3.99Å; F335-I367 HydrophobicContact CG-CD1 3.48Å; F335-I367 VanDerWaalsContact CG-CD1 3.48Å; F335-V372 HydrophobicContact CD2-CG2 3.76Å; F335-V372 HydrophobicContact CE2-CB 4.43Å; F335-V372 HydrophobicContact CE2-CG1 4.35Å; F335-V372 HydrophobicContact CE2-CG2 3.81Å; F335-F375 HydrophobicContact CZ-CD1 4.05Å; F335-F375 HydrophobicContact CZ-CG 4.31Å; F335-V420 HydrophobicContact CE1-CG1 4.34Å; F335-V420 HydrophobicContact CZ-CG1 4.23Å; F335-V423 HydrophobicContact CD1-CB 4.5Å; F335-V423 HydrophobicContact CD1-CG1 3.82Å; F335-V423 HydrophobicContact CE1-CG1 4.35Å; F335-V424 HydrophobicContact CE1-CG2 4.35Å
336	G	88.6	Confident	84.6	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-63.1	-36.6	175.5	0	0	0	0	0	113.4	E332 Q334 L340	E332-G336 PolarHBondContact O-N 3.03Å; Q334-G336 PolarHBondContact O-N 3.09Å; G336-L340 WeakPolarHBondContact O-CB 3.24Å; G336-L340 VanDerWaalsContact O-CG 3.32Å; G336-L340 WeakPolarHBondContact O-CG 3.24Å; G336-L340 PolarHBondContact O-N 2.84Å; G336-L340 VanDerWaalsContact O-N 3.08Å
337	G	86.7	Confident	83.5	Confident	19 Å²	19	44.5 Å²	44.5	20%	0.196	26%	0.255	C	S	.	.	H	α-helix	trans	-61.6	-42.4	171.1	0	0	0	0	0	112.7	R333 Q334 F335 L340 A341	R333-G337 PolarHBondContact O-N 3.21Å; Q334-G337 PolarHBondContact O-N 3.29Å; Q334-G337 VanDerWaalsContact O-N 3.16Å; F335-G337 VanDerWaalsContact C-N 3.32Å; F335-G337 PolarHBondContact O-N 2.9Å; G337-L340 PolarHBondContact O-N 3.46Å; G337-A341 PolarHBondContact O-N 3.48Å
338	M	89	Confident	82.6	Confident	11 Å²	11	46.9 Å²	46.9	5%	0.054	25%	0.252	C	S	.	.	H	α-helix	trans	-62.8	-49.7	176.5	-174.6	169.5	65.9	0	0	110.8	E319 I330 Q334 F335 L340 A341 V372 F376 R448	E319-M338 HydrophobicContact CB-SD 4.46Å; I330-M338 HydrophobicContact CD1-CE 4.08Å; Q334-M338 WeakPolarHBondContact O-CB 3.42Å; Q334-M338 PolarHBondContact O-N 3.49Å; F335-M338 HydrophobicContact CD2-CE 3.74Å; F335-M338 HydrophobicContact CE2-CE 4.19Å; F335-M338 WeakPolarHBondContact O-CB 3.31Å; F335-M338 PolarHBondContact O-N 3.25Å; F335-M338 VanDerWaalsContact O-N 3.12Å; M338-L340 VanDerWaalsContact C-N 3.27Å; M338-L340 PolarHBondContact O-N 2.87Å; M338-A341 WeakPolarHBondContact O-CB 3.41Å; M338-A341 PolarHBondContact O-N 2.99Å; M338-V372 HydrophobicContact CE-CB 4.45Å; M338-V372 HydrophobicContact CE-CG1 3.45Å; M338-V372 VanDerWaalsContact CE-CG1 3.45Å; M338-V372 HydrophobicContact CE-CG2 4.08Å; M338-F376 HydrophobicContact CE-CE2 4.18Å; M338-R448 PolarHBondContact O-NE 2.76Å; M338-R448 PolarHBondContact O-NH1 3.05Å
339	L	88	Confident	81.6	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-57.2	-40.4	176.9	-69.6	-176.5	0	0	0	112.7	F335 F375 F376 V424 L427	F335-L339 HydrophobicContact CD1-CD1 4.16Å; F335-L339 HydrophobicContact CE1-CD1 3.59Å; F335-L339 HydrophobicContact CE1-CG 4.25Å; F335-L339 HydrophobicContact CE2-CD1 4.37Å; F335-L339 HydrophobicContact CE2-CD2 4.24Å; F335-L339 HydrophobicContact CE2-CG 4.21Å; F335-L339 HydrophobicContact CZ-CD1 3.71Å; F335-L339 HydrophobicContact CZ-CD2 4.18Å; F335-L339 HydrophobicContact CZ-CG 4.04Å; F335-L339 PolarHBondContact O-N 3.12Å; L339-F375 HydrophobicContact CD1-CE1 4Å; L339-F375 HydrophobicContact CD2-CD1 3.86Å; L339-F375 HydrophobicContact CD2-CE1 3.55Å; L339-F375 HydrophobicContact CG-CE1 4.44Å; L339-F376 HydrophobicContact CD2-CE2 3.94Å; L339-F376 HydrophobicContact CD2-CZ 4.03Å; L339-V424 HydrophobicContact CD1-CG2 4.19Å; L339-L427 HydrophobicContact CD1-CD1 4.22Å
340	L	86.6	Confident	80.5	Confident	1 Å²	1	44.6 Å²	44.6	1%	0.005	24%	0.235	C	C	.	.	H	α-helix	trans	-87.3	-6.6	-176.5	-64.9	176.6	0	0	0	114.4	G336 G337 M338 Y342 S343 L350 M353 L427 F428 I444	G336-L340 WeakPolarHBondContact O-CB 3.24Å; G336-L340 VanDerWaalsContact O-CG 3.32Å; G336-L340 WeakPolarHBondContact O-CG 3.24Å; G336-L340 PolarHBondContact O-N 2.84Å; G336-L340 VanDerWaalsContact O-N 3.08Å; G337-L340 PolarHBondContact O-N 3.46Å; M338-L340 VanDerWaalsContact C-N 3.27Å; M338-L340 PolarHBondContact O-N 2.87Å; L340-Y342 VanDerWaalsContact C-N 3.3Å; L340-Y342 PolarHBondContact O-N 2.94Å; L340-S343 WeakPolarHBondContact O-CB 3.23Å; L340-S343 PolarHBondContact O-N 3.38Å; L340-S343 VanDerWaalsContact O-N 3.09Å; L340-S343 PolarHBondContact O-OG 3.47Å; L340-L350 HydrophobicContact CB-CD1 3.91Å; L340-L350 HydrophobicContact CB-CG 4.43Å; L340-L350 HydrophobicContact CD1-CD1 4.43Å; L340-L350 HydrophobicContact CD1-CG 4.07Å; L340-M353 HydrophobicContact CD1-CE 3.85Å; L340-M353 HydrophobicContact CD1-SD 4.12Å; L340-M353 HydrophobicContact CD2-CE 4.32Å; L340-L427 HydrophobicContact CD1-CD2 4.2Å; L340-F428 HydrophobicContact CD2-CE1 3.82Å; L340-F428 HydrophobicContact CD2-CZ 3.78Å; L340-I444 HydrophobicContact CD2-CG2 3.94Å
341	A	84.5	Confident	79.6	Confident	14 Å²	14	49.6 Å²	49.6	12%	0.116	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-49.3	-172.1	0	0	0	0	0	112.3	P161 G337 M338	P161-A341 HydrophobicContact CG-CB 4.37Å; P161-A341 WeakPolarHBondContact CG-O 3.43Å; G337-A341 PolarHBondContact O-N 3.48Å; M338-A341 WeakPolarHBondContact O-CB 3.41Å; M338-A341 PolarHBondContact O-N 2.99Å
342	Y	82.3	Confident	78.9	Confident	11 Å²	11	53.7 Å²	53.7	4%	0.043	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-5.4	-175	-61.6	-83.3	0	0	0	114.4	I159 T160 P161 E319 L340 G344 Q447 R451	I159-Y342 VanDerWaalsContact O-CE1 3.28Å; I159-Y342 WeakPolarHBondContact O-CE1 3.33Å; T160-Y342 PolarHBondContact OG1-OH 2.95Å; P161-Y342 VanDerWaalsContact CD-CE1 3.42Å; P161-Y342 HydrophobicContact CG-CD1 4.06Å; P161-Y342 HydrophobicContact CG-CE1 4.4Å; P161-Y342 HydrophobicContact CG-CG 4.49Å; E319-Y342 PolarHBondContact OE1-OH 2.89Å; L340-Y342 VanDerWaalsContact C-N 3.3Å; L340-Y342 PolarHBondContact O-N 2.94Å; Y342-G344 PolarHBondContact O-N 3.19Å; Y342-G344 VanDerWaalsContact O-N 3.08Å; Y342-Q447 VanDerWaalsContact O-CD 3.29Å; Y342-Q447 WeakPolarHBondContact O-CG 3.34Å; Y342-Q447 PolarHBondContact O-NE2 3.3Å; Y342-R451 HydrophobicContact CD1-CB 4.03Å; Y342-R451 WeakPolarHBondContact CD1-O 3.48Å; Y342-R451 HydrophobicContact CE1-CB 3.71Å; Y342-R451 HydrophobicContact CE1-CG 4.32Å; Y342-R451 VanDerWaalsContact CE1-O 3.28Å; Y342-R451 WeakPolarHBondContact CE1-O 3.12Å; Y342-R451 HydrophobicContact CE2-CB 4.35Å; Y342-R451 HydrophobicContact CE2-CG 4.12Å; Y342-R451 HydrophobicContact CG-CB 4.46Å
343	S	71.7	Confident	78.1	Confident	9 Å²	9	54.3 Å²	54.3	6%	0.063	27%	0.274	C	S	.	.	S	Bend	trans	-64.6	-16.2	-171.1	67.9	0	0	0	0	114.1	L340 V345 Q447	L340-S343 WeakPolarHBondContact O-CB 3.23Å; L340-S343 PolarHBondContact O-N 3.38Å; L340-S343 VanDerWaalsContact O-N 3.09Å; L340-S343 PolarHBondContact O-OG 3.47Å; S343-V345 PolarHBondContact O-N 2.92Å; S343-V345 VanDerWaalsContact OG-CB 3.27Å; S343-V345 WeakPolarHBondContact OG-CB 3.22Å; S343-V345 WeakPolarHBondContact OG-CG2 3.12Å; S343-V345 PolarHBondContact OG-N 2.65Å; S343-Q447 PolarHBondContact O-NE2 3.45Å; S343-Q447 VanDerWaalsContact O-NE2 3.07Å; S343-Q447 PolarHBondContact O-OE1 3.35Å
344	G	66.3	Low	77.4	Confident	63 Å²	63	49.9 Å²	49.9	65%	0.649	26%	0.259	S	S	*	.			trans	62.2	9.9	-173	0	0	0	0	0	113.1	Y342	Y342-G344 PolarHBondContact O-N 3.19Å; Y342-G344 VanDerWaalsContact O-N 3.08Å
345	V	65.9	Low	76.9	Confident	35 Å²	35	54.3 Å²	54.3	21%	0.212	28%	0.277	C	S	.	.			trans	-60.3	137	177.7	170.6	0	0	0	0	108.8	S343 S347 K349 L350 I444	S343-V345 PolarHBondContact O-N 2.92Å; S343-V345 VanDerWaalsContact OG-CB 3.27Å; S343-V345 WeakPolarHBondContact OG-CB 3.22Å; S343-V345 WeakPolarHBondContact OG-CG2 3.12Å; S343-V345 PolarHBondContact OG-N 2.65Å; V345-S347 PolarHBondContact O-N 2.98Å; V345-K349 HydrophobicContact CG1-CB 3.93Å; V345-K349 HydrophobicContact CG1-CD 4.41Å; V345-K349 HydrophobicContact CG1-CG 4.38Å; V345-L350 HydrophobicContact CG1-CB 4.44Å; V345-I444 HydrophobicContact CG2-CD1 4.04Å; V345-I444 HydrophobicContact CG2-CG1 4.41Å
346	Q	62	Low	76.3	Confident	151 Å²	151	55.6 Å²	55.6	71%	0.706	29%	0.29	S	S	*	.			trans	-55	134.6	179.2	-63.7	-176.6	-1	0	0	110.4	R348 K349 L350	Q346-R348 PolarHBondContact O-N 3.08Å; Q346-K349 PolarHBondContact O-N 2.73Å; Q346-L350 PolarHBondContact O-N 3.12Å
347	S	68	Low	75.8	Confident	79 Å²	79	55.7 Å²	55.7	55%	0.552	29%	0.29	S	S	*	.	H	α-helix	trans	-55.9	-19.7	-177.5	62.2	0	0	0	0	113.9	V345 K351	V345-S347 PolarHBondContact O-N 2.98Å; S347-K351 WeakPolarHBondContact O-CB 3.37Å; S347-K351 WeakPolarHBondContact O-CD 3.45Å; S347-K351 WeakPolarHBondContact O-CG 3.47Å; S347-K351 PolarHBondContact O-N 2.72Å; S347-K351 VanDerWaalsContact O-N 3.17Å
348	R	69.2	Low	75.4	Confident	205 Å²	205	61.8 Å²	61.8	77%	0.774	31%	0.312	S	S	*	.	H	α-helix	trans	-72	-54.2	173.5	-67.1	-176.8	179	-175.7	-1.7	112.7	Q346 L350 K351 Q352	Q346-R348 PolarHBondContact O-N 3.08Å; R348-L350 VanDerWaalsContact C-N 3.3Å; R348-L350 PolarHBondContact O-N 3.29Å; R348-K351 PolarHBondContact O-N 2.76Å; R348-Q352 PolarHBondContact O-N 2.72Å
349	K	68.8	Low	74.9	Confident	75 Å²	75	68.8 Å²	68.8	33%	0.326	34%	0.342	S	S	.	.	H	α-helix	trans	-60.5	-42.6	178.4	-167.4	177.1	179.1	-179.8	0	110.1	V345 Q346 K351 Q352 M353 E440	V345-K349 HydrophobicContact CG1-CB 3.93Å; V345-K349 HydrophobicContact CG1-CD 4.41Å; V345-K349 HydrophobicContact CG1-CG 4.38Å; Q346-K349 PolarHBondContact O-N 2.73Å; K349-K351 PolarHBondContact O-N 3.34Å; K349-Q352 WeakPolarHBondContact O-CB 3.45Å; K349-Q352 PolarHBondContact O-N 2.77Å; K349-Q352 VanDerWaalsContact O-N 3.16Å; K349-M353 HydrophobicContact CG-CG 4.49Å; K349-M353 HydrophobicContact CG-SD 3.9Å; K349-M353 VanDerWaalsContact O-CG 3.25Å; K349-M353 WeakPolarHBondContact O-CG 3.46Å; K349-M353 PolarHBondContact O-N 2.83Å; K349-E440 IonicContact NZ-OE2 2.73Å; K349-E440 PolarHBondContact NZ-OE2 3.18Å
350	L	69.6	Low	74.4	Confident	26 Å²	26	74.8 Å²	74.8	14%	0.136	37%	0.371	C	S	.	.	H	α-helix	trans	-60.3	-45.4	176.1	-169.5	156.9	0	0	0	112.6	L340 V345 Q346 R348 Q352 M353 Q354	L340-L350 HydrophobicContact CB-CD1 3.91Å; L340-L350 HydrophobicContact CB-CG 4.43Å; L340-L350 HydrophobicContact CD1-CD1 4.43Å; L340-L350 HydrophobicContact CD1-CG 4.07Å; V345-L350 HydrophobicContact CG1-CB 4.44Å; Q346-L350 PolarHBondContact O-N 3.12Å; R348-L350 VanDerWaalsContact C-N 3.3Å; R348-L350 PolarHBondContact O-N 3.29Å; L350-Q352 VanDerWaalsContact C-N 3.31Å; L350-Q352 PolarHBondContact O-N 2.72Å; L350-M353 PolarHBondContact O-N 3.33Å; L350-Q354 VanDerWaalsContact CD2-CD 3.49Å; L350-Q354 HydrophobicContact CD2-CG 4.05Å; L350-Q354 VanDerWaalsContact CD2-NE2 3.34Å; L350-Q354 WeakPolarHBondContact O-CB 3.38Å; L350-Q354 WeakPolarHBondContact O-CG 3.47Å; L350-Q354 PolarHBondContact O-N 3.41Å
351	K	75.1	Confident	74.1	Confident	106 Å²	106	76.6 Å²	76.6	46%	0.461	38%	0.379	S	S	.	.	H	α-helix	trans	-64.1	-35.6	176	-79.3	172.4	-173.8	175.3	0	112.5	S347 R348 K349 K355	S347-K351 WeakPolarHBondContact O-CB 3.37Å; S347-K351 WeakPolarHBondContact O-CD 3.45Å; S347-K351 WeakPolarHBondContact O-CG 3.47Å; S347-K351 PolarHBondContact O-N 2.72Å; S347-K351 VanDerWaalsContact O-N 3.17Å; R348-K351 PolarHBondContact O-N 2.76Å; K349-K351 PolarHBondContact O-N 3.34Å; K351-K355 WeakPolarHBondContact O-CB 3.5Å; K351-K355 VanDerWaalsContact O-CG 3.28Å; K351-K355 WeakPolarHBondContact O-CG 3.37Å; K351-K355 PolarHBondContact O-N 3.13Å
352	Q	76.9	Confident	73.5	Confident	146 Å²	146	84.2 Å²	84.2	68%	0.682	41%	0.41	S	S	*	.	H	α-helix	trans	-68.1	-48.7	177.4	-174.6	173.2	-1.5	0	0	111	R348 K349 L350 Q354 K355 G356	R348-Q352 PolarHBondContact O-N 2.72Å; K349-Q352 WeakPolarHBondContact O-CB 3.45Å; K349-Q352 PolarHBondContact O-N 2.77Å; K349-Q352 VanDerWaalsContact O-N 3.16Å; L350-Q352 VanDerWaalsContact C-N 3.31Å; L350-Q352 PolarHBondContact O-N 2.72Å; Q352-Q354 VanDerWaalsContact C-N 3.35Å; Q352-Q354 PolarHBondContact O-N 3.03Å; Q352-K355 WeakPolarHBondContact O-CB 3.3Å; Q352-K355 PolarHBondContact O-N 2.74Å; Q352-K355 VanDerWaalsContact O-N 3.13Å; Q352-G356 PolarHBondContact O-N 2.96Å
353	M	73.1	Confident	73	Confident	20 Å²	20	90.7 Å²	90.7	10%	0.099	45%	0.445	C	S	.	.	H	α-helix	trans	-58.2	-45.6	175.8	-65.1	160.5	82.2	0	0	111.2	L340 K349 L350 K355 G356 L357 L427 F428	L340-M353 HydrophobicContact CD1-CE 3.85Å; L340-M353 HydrophobicContact CD1-SD 4.12Å; L340-M353 HydrophobicContact CD2-CE 4.32Å; K349-M353 HydrophobicContact CG-CG 4.49Å; K349-M353 HydrophobicContact CG-SD 3.9Å; K349-M353 VanDerWaalsContact O-CG 3.25Å; K349-M353 WeakPolarHBondContact O-CG 3.46Å; K349-M353 PolarHBondContact O-N 2.83Å; L350-M353 PolarHBondContact O-N 3.33Å; M353-K355 VanDerWaalsContact C-N 3.34Å; M353-K355 PolarHBondContact O-N 3.29Å; M353-G356 WeakPolarHBondContact O-CA 3.48Å; M353-G356 PolarHBondContact O-N 3.28Å; M353-G356 VanDerWaalsContact O-N 3.12Å; M353-L357 PolarHBondContact O-N 3.25Å; M353-L427 HydrophobicContact CB-CD2 4.08Å; M353-L427 HydrophobicContact CE-CB 4.1Å; M353-L427 HydrophobicContact CE-CD2 4.26Å; M353-L427 WeakPolarHBondContact CE-O 3.43Å; M353-F428 HydrophobicContact CE-CD1 4.29Å; M353-F428 HydrophobicContact CE-CE1 4.38Å
354	Q	74.1	Confident	72.8	Confident	25 Å²	25	93.5 Å²	93.5	12%	0.117	47%	0.469	C	S	.	.	H	α-helix	trans	-64.6	-33.7	176.3	-75.5	-172.6	-5.5	0	0	113.8	R333 L350 Q352 K358	R333-Q354 HydrophobicContact CG-CB 4.28Å; R333-Q354 HydrophobicContact CG-CG 4.25Å; R333-Q354 VanDerWaalsContact NH2-OE1 3.11Å; L350-Q354 VanDerWaalsContact CD2-CD 3.49Å; L350-Q354 HydrophobicContact CD2-CG 4.05Å; L350-Q354 VanDerWaalsContact CD2-NE2 3.34Å; L350-Q354 WeakPolarHBondContact O-CB 3.38Å; L350-Q354 WeakPolarHBondContact O-CG 3.47Å; L350-Q354 PolarHBondContact O-N 3.41Å; Q352-Q354 VanDerWaalsContact C-N 3.35Å; Q352-Q354 PolarHBondContact O-N 3.03Å; Q354-K358 PolarHBondContact O-N 2.89Å
355	K	78.1	Confident	73.5	Confident	145 Å²	145	96.3 Å²	96.3	63%	0.63	47%	0.465	S	S	*	.	H	α-helix	trans	-69.5	-36.4	173.1	-79.5	178.5	179.3	-173.6	0	111.1	K351 Q352 M353 K359	K351-K355 WeakPolarHBondContact O-CB 3.5Å; K351-K355 VanDerWaalsContact O-CG 3.28Å; K351-K355 WeakPolarHBondContact O-CG 3.37Å; K351-K355 PolarHBondContact O-N 3.13Å; Q352-K355 WeakPolarHBondContact O-CB 3.3Å; Q352-K355 PolarHBondContact O-N 2.74Å; Q352-K355 VanDerWaalsContact O-N 3.13Å; M353-K355 VanDerWaalsContact C-N 3.34Å; M353-K355 PolarHBondContact O-N 3.29Å; K355-K359 WeakPolarHBondContact O-CG 3.47Å; K355-K359 PolarHBondContact O-N 2.97Å
356	G	77.6	Confident	74.6	Confident	26 Å²	26	94.9 Å²	94.9	27%	0.268	46%	0.457	S	S	.	.	H	α-helix	trans	-59.6	-52.9	173.4	0	0	0	0	0	111.5	Q352 M353 K358 K359 M360	Q352-G356 PolarHBondContact O-N 2.96Å; M353-G356 WeakPolarHBondContact O-CA 3.48Å; M353-G356 PolarHBondContact O-N 3.28Å; M353-G356 VanDerWaalsContact O-N 3.12Å; G356-K358 VanDerWaalsContact C-N 3.32Å; G356-K358 PolarHBondContact O-N 3.4Å; G356-K359 WeakPolarHBondContact O-CA 3.34Å; G356-K359 WeakPolarHBondContact O-CB 3.49Å; G356-K359 PolarHBondContact O-N 3.14Å; G356-M360 WeakPolarHBondContact O-CG 3.32Å; G356-M360 PolarHBondContact O-N 3.43Å
357	L	79.3	Confident	76.2	Confident	2 Å²	2	87.7 Å²	87.7	1%	0.01	42%	0.424	C	S	.	.	H	α-helix	trans	-53.6	-46.6	176.6	-74.6	-178	0	0	0	112.9	M353 K359 M360 F361 V423 A426 L427	M353-L357 PolarHBondContact O-N 3.25Å; L357-K359 PolarHBondContact O-N 3.44Å; L357-M360 PolarHBondContact O-N 3.01Å; L357-F361 HydrophobicContact CD2-CD2 3.99Å; L357-F361 HydrophobicContact CD2-CE2 3.75Å; L357-F361 PolarHBondContact O-N 3.26Å; L357-V423 HydrophobicContact CD1-CG1 4.28Å; L357-V423 HydrophobicContact CD2-CG1 4.01Å; L357-A426 HydrophobicContact CD2-CB 3.64Å; L357-L427 HydrophobicContact CD1-CD1 4.23Å; L357-L427 HydrophobicContact CD1-CD2 3.4Å; L357-L427 VanDerWaalsContact CD1-CD2 3.4Å; L357-L427 HydrophobicContact CD1-CG 3.76Å; L357-L427 HydrophobicContact CD2-CG 4.23Å; L357-L427 HydrophobicContact CG-CD2 3.95Å; L357-L427 HydrophobicContact CG-CG 4.21Å
358	K	78.2	Confident	77.5	Confident	147 Å²	147	85.4 Å²	85.4	64%	0.639	41%	0.407	S	S	*	.	H	α-helix	trans	-62.3	-28.4	178.7	-170.3	178.4	179.7	-172.3	0	113	Q354 G356	Q354-K358 PolarHBondContact O-N 2.89Å; G356-K358 VanDerWaalsContact C-N 3.32Å; G356-K358 PolarHBondContact O-N 3.4Å
359	K	78.3	Confident	78.7	Confident	159 Å²	159	77.6 Å²	77.6	69%	0.691	38%	0.378	S	S	*	.	H	α-helix	trans	-82.3	-35.5	178.2	-72.9	179.4	177.7	-171.8	0	112.4	K355 G356 L357	K355-K359 WeakPolarHBondContact O-CG 3.47Å; K355-K359 PolarHBondContact O-N 2.97Å; G356-K359 WeakPolarHBondContact O-CA 3.34Å; G356-K359 WeakPolarHBondContact O-CB 3.49Å; G356-K359 PolarHBondContact O-N 3.14Å; L357-K359 PolarHBondContact O-N 3.44Å
360	M	76.4	Confident	80	Confident	125 Å²	125	80.6 Å²	80.6	62%	0.616	39%	0.394	S	S	*	.	H	α-helix	trans	-77.7	-41.5	-177.9	-68.9	178.9	68.9	0	0	112	G356 L357 A426	G356-M360 WeakPolarHBondContact O-CG 3.32Å; G356-M360 PolarHBondContact O-N 3.43Å; L357-M360 PolarHBondContact O-N 3.01Å; M360-A426 HydrophobicContact CE-CB 3.82Å; M360-A426 HydrophobicContact SD-CB 3.83Å
361	F	81.9	Confident	81.2	Confident	40 Å²	40	81 Å²	81	18%	0.175	40%	0.395	C	S	.	.			trans	-106.1	77.1	-179.8	-58.3	-82.5	0	0	0	109.5	E332 L357 H419 D422 V423 A426	E332-F361 HydrophobicContact CG-CB 4.23Å; E332-F361 HydrophobicContact CG-CD2 4.47Å; E332-F361 HydrophobicContact CG-CG 4.17Å; L357-F361 HydrophobicContact CD2-CD2 3.99Å; L357-F361 HydrophobicContact CD2-CE2 3.75Å; L357-F361 PolarHBondContact O-N 3.26Å; F361-H419 AromaticContact CD1-CE1 3.85Å; F361-H419 AromaticContact CE1-CE1 3.95Å; F361-D422 HydrophobicContact CE1-CB 4.1Å; F361-D422 HydrophobicContact CZ-CB 3.87Å; F361-V423 HydrophobicContact CD2-CG2 4.46Å; F361-V423 HydrophobicContact CE1-CG2 4.24Å; F361-V423 HydrophobicContact CE2-CG2 3.97Å; F361-V423 HydrophobicContact CZ-CG2 3.84Å; F361-A426 HydrophobicContact CE2-CB 3.88Å; F361-A426 HydrophobicContact CZ-CB 4.42Å
362	K	71.2	Confident	82.1	Confident	174 Å²	174	76 Å²	76	76%	0.757	37%	0.373	S	S	*	.			trans	-75.1	-37.4	175.7	-68	-177.2	-177.7	177.3	0	111.5	A364	K362-A364 PolarHBondContact O-N 2.83Å
363	D	71.8	Confident	82.9	Confident	147 Å²	147	72.1 Å²	72.1	79%	0.786	36%	0.355	S	S	*	.	S	Bend	trans	-89.1	99.8	172.4	-57.7	-36.7	0	0	0	108	Q365	D363-Q365 PolarHBondContact O-N 3.14Å
364	A	67.1	Low	84	Confident	68 Å²	68	74.3 Å²	74.3	56%	0.562	37%	0.367	S	S	*	.			trans	-74.8	91.6	-175.6	0	0	0	0	0	110.2	K362 G366	K362-A364 PolarHBondContact O-N 2.83Å; A364-G366 PolarHBondContact O-N 2.93Å
365	Q	81.4	Confident	84.9	Confident	121 Å²	121	73.1 Å²	73.1	57%	0.565	36%	0.361	S	S	*	.			trans	-63.2	-31	171.1	-179.2	173.7	-10.5	0	0	111.1	R329 E332 D363	R329-Q365 WeakPolarHBondContact CD-O 3.41Å; R329-Q365 PolarHBondContact NH1-O 3.38Å; E332-Q365 PolarHBondContact OE1-N 3.11Å; D363-Q365 PolarHBondContact O-N 3.14Å
366	G	89.5	Confident	85.6	Confident	5 Å²	5	67 Å²	67	5%	0.052	34%	0.335	C	S	.	.			trans	70.2	152.8	179.7	0	0	0	0	0	112.7	R329 I330 E332 A364	R329-G366 PolarHBondContact NH1-O 3.43Å; I330-G366 CarbonylContact O-C 3.43Å; I330-G366 VanDerWaalsContact O-CA 3.31Å; I330-G366 WeakPolarHBondContact O-CA 3.37Å; E332-G366 PolarHBondContact OE1-N 3.07Å; A364-G366 PolarHBondContact O-N 2.93Å
367	I	93.9	Very high	86.3	Confident	0 Å²	0	67.7 Å²	67.7	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	129	-175.7	-58.7	171.5	0	0	0	108.8	R329 I330 F335 E371 V372 V420 V423	R329-I367 WeakPolarHBondContact CA-O 3.38Å; I330-I367 HydrophobicContact CG1-CB 4.24Å; I330-I367 PolarHBondContact N-O 3.41Å; I330-I367 PolarHBondContact O-N 3.15Å; F335-I367 HydrophobicContact CB-CD1 3.64Å; F335-I367 HydrophobicContact CD1-CD1 3.32Å; F335-I367 HydrophobicContact CD2-CD1 4.27Å; F335-I367 HydrophobicContact CE1-CD1 3.99Å; F335-I367 HydrophobicContact CG-CD1 3.48Å; F335-I367 VanDerWaalsContact CG-CD1 3.48Å; I367-E371 WeakPolarHBondContact CA-OE2 3.47Å; I367-E371 HydrophobicContact CG2-CB 3.73Å; I367-V372 HydrophobicContact CG2-CG2 3.76Å; I367-V420 HydrophobicContact CG2-CG2 4.09Å; I367-V423 HydrophobicContact CD1-CG2 4.29Å
368	T	95.8	Very high	86.9	Confident	31 Å²	31	67.8 Å²	67.8	19%	0.19	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	165	178.7	69.3	0	0	0	0	111.8	R329 E370 E371 V372	R329-T368 HydrophobicContact CG-CG2 4.1Å; T368-E370 VanDerWaalsContact C-N 3.35Å; T368-E370 PolarHBondContact O-N 2.91Å; T368-E371 PolarHBondContact N-OE2 3.37Å; T368-E371 PolarHBondContact O-N 3.38Å; T368-E371 WeakPolarHBondContact OG1-CG 3.29Å; T368-E371 PolarHBondContact OG1-N 3.39Å; T368-V372 WeakPolarHBondContact O-CG2 3.19Å; T368-V372 PolarHBondContact O-N 3Å
369	F	95.5	Very high	87.5	Confident	41 Å²	41	60.8 Å²	60.8	18%	0.18	30%	0.304	C	S	.	.	H	α-helix	trans	-61.8	-40.8	175.7	179.5	-110.1	0	0	0	112.7	H313 L316 K317 F320 E371 V372 E373	H313-F369 AromaticContact NE2-CE1 3.42Å; H313-F369 WeakPolarHBondContact NE2-CE1 3.3Å; H313-F369 AromaticContact NE2-CZ 3.62Å; L316-F369 HydrophobicContact CG-CE2 4.33Å; K317-F369 VanDerWaalsContact CA-CE2 3.47Å; K317-F369 HydrophobicContact CB-CE2 3.92Å; K317-F369 HydrophobicContact CB-CZ 3.75Å; K317-F369 HydrophobicContact CG-CE2 4.34Å; K317-F369 HydrophobicContact CG-CZ 4.18Å; F320-F369 HydrophobicContact CB-CD2 3.8Å; F320-F369 HydrophobicContact CB-CE2 4.19Å; F320-F369 HydrophobicContact CD1-CB 4.13Å; F320-F369 AromaticContact CD1-CD2 3.99Å; F320-F369 HydrophobicContact CD1-CD2 3.99Å; F320-F369 HydrophobicContact CD1-CG 4.44Å; F320-F369 HydrophobicContact CD2-CB 4.45Å; F320-F369 HydrophobicContact CD2-CD2 4.04Å; F320-F369 HydrophobicContact CE1-CB 3.9Å; F320-F369 HydrophobicContact CE2-CB 4.22Å; F320-F369 HydrophobicContact CG-CB 4.41Å; F320-F369 AromaticContact CG-CD2 3.69Å; F320-F369 HydrophobicContact CG-CD2 3.69Å; F320-F369 HydrophobicContact CZ-CB 3.95Å; F369-E371 VanDerWaalsContact C-N 3.32Å; F369-E371 PolarHBondContact O-N 3.33Å; F369-V372 WeakPolarHBondContact O-CB 3.2Å; F369-V372 PolarHBondContact O-N 2.74Å; F369-V372 VanDerWaalsContact O-N 3.16Å; F369-E373 WeakPolarHBondContact O-CB 3.33Å; F369-E373 PolarHBondContact O-N 3.28Å
370	E	94.6	Very high	88	Confident	139 Å²	139	56.8 Å²	56.8	65%	0.65	29%	0.286	S	S	*	.	H	α-helix	trans	-60.4	-40.8	177.9	-64.6	178.5	179.8	0	0	112.1	T368 E373 N374	T368-E370 VanDerWaalsContact C-N 3.35Å; T368-E370 PolarHBondContact O-N 2.91Å; E370-E373 PolarHBondContact O-N 3.46Å; E370-N374 WeakPolarHBondContact O-CB 3.41Å; E370-N374 VanDerWaalsContact O-CG 3.23Å; E370-N374 PolarHBondContact O-N 3.23Å; E370-N374 PolarHBondContact O-ND2 2.84Å
371	E	95.3	Very high	88.6	Confident	35 Å²	35	53.5 Å²	53.5	16%	0.164	27%	0.271	C	S	.	.	H	α-helix	trans	-64.1	-41.2	176.1	-73.9	-179.3	127	0	0	111.9	I367 T368 F369 F375 S417 V420	I367-E371 WeakPolarHBondContact CA-OE2 3.47Å; I367-E371 HydrophobicContact CG2-CB 3.73Å; T368-E371 PolarHBondContact N-OE2 3.37Å; T368-E371 PolarHBondContact O-N 3.38Å; T368-E371 WeakPolarHBondContact OG1-CG 3.29Å; T368-E371 PolarHBondContact OG1-N 3.39Å; F369-E371 VanDerWaalsContact C-N 3.32Å; F369-E371 PolarHBondContact O-N 3.33Å; E371-F375 PolarHBondContact O-N 2.95Å; E371-F375 VanDerWaalsContact O-N 3.11Å; E371-S417 WeakPolarHBondContact OE1-CB 3.42Å; E371-S417 PolarHBondContact OE1-OG 2.89Å; E371-V420 HydrophobicContact CB-CG2 3.88Å; E371-V420 HydrophobicContact CG-CG2 4.46Å
372	V	94.7	Very high	89	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-62.9	-49.1	173.2	174	0	0	0	0	110.1	L316 F320 I330 F335 M338 I367 T368 F369 N374 F375 F376	L316-V372 HydrophobicContact CD1-CG1 4.25Å; L316-V372 HydrophobicContact CD2-CG1 4.45Å; F320-V372 HydrophobicContact CD2-CB 4.5Å; F320-V372 HydrophobicContact CD2-CG2 4.02Å; F320-V372 HydrophobicContact CE2-CG2 4.01Å; I330-V372 HydrophobicContact CD1-CG2 4.15Å; F335-V372 HydrophobicContact CD2-CG2 3.76Å; F335-V372 HydrophobicContact CE2-CB 4.43Å; F335-V372 HydrophobicContact CE2-CG1 4.35Å; F335-V372 HydrophobicContact CE2-CG2 3.81Å; M338-V372 HydrophobicContact CE-CB 4.45Å; M338-V372 HydrophobicContact CE-CG1 3.45Å; M338-V372 VanDerWaalsContact CE-CG1 3.45Å; M338-V372 HydrophobicContact CE-CG2 4.08Å; I367-V372 HydrophobicContact CG2-CG2 3.76Å; T368-V372 WeakPolarHBondContact O-CG2 3.19Å; T368-V372 PolarHBondContact O-N 3Å; F369-V372 WeakPolarHBondContact O-CB 3.2Å; F369-V372 PolarHBondContact O-N 2.74Å; F369-V372 VanDerWaalsContact O-N 3.16Å; V372-N374 PolarHBondContact O-N 3.44Å; V372-F375 WeakPolarHBondContact O-CB 3.46Å; V372-F375 PolarHBondContact O-N 3.14Å; V372-F375 VanDerWaalsContact O-N 3.15Å; V372-F376 HydrophobicContact CG1-CD2 3.73Å; V372-F376 HydrophobicContact CG1-CE2 3.85Å; V372-F376 VanDerWaalsContact O-CD2 3.31Å; V372-F376 WeakPolarHBondContact O-CD2 3.19Å; V372-F376 PolarHBondContact O-N 3.23Å
373	E	93.9	Very high	89.9	Confident	64 Å²	64	47.9 Å²	47.9	30%	0.299	25%	0.251	S	S	.	.	H	α-helix	trans	-60	-45.2	-178.1	-173.2	-176.1	-172	0	0	112	H313 F369 E370 F375 F376 T377	H313-E373 IonicContact CD2-OE1 3.29Å; H313-E373 PolarHBondContact CD2-OE1 3.42Å; H313-E373 IonicContact NE2-OE1 3.9Å; F369-E373 WeakPolarHBondContact O-CB 3.33Å; F369-E373 PolarHBondContact O-N 3.28Å; E370-E373 PolarHBondContact O-N 3.46Å; E373-F375 VanDerWaalsContact C-N 3.31Å; E373-F375 PolarHBondContact O-N 2.97Å; E373-F376 PolarHBondContact O-N 3.2Å; E373-T377 WeakPolarHBondContact O-CB 3.41Å; E373-T377 PolarHBondContact O-N 3.19Å; E373-T377 PolarHBondContact O-OG1 3.4Å
374	N	94.7	Very high	90.8	Very high	66 Å²	66	45.4 Å²	45.4	35%	0.353	24%	0.238	S	C	.	.	H	α-helix	trans	-57.8	-45.4	174.9	-76.9	-26.2	0	0	0	111	E370 V372 F376 T377 F378 V414	E370-N374 WeakPolarHBondContact O-CB 3.41Å; E370-N374 VanDerWaalsContact O-CG 3.23Å; E370-N374 PolarHBondContact O-N 3.23Å; E370-N374 PolarHBondContact O-ND2 2.84Å; V372-N374 PolarHBondContact O-N 3.44Å; N374-F376 PolarHBondContact O-N 3.17Å; N374-T377 PolarHBondContact O-N 3.32Å; N374-F378 PolarHBondContact O-N 2.92Å; N374-V414 HydrophobicContact CB-CG1 3.56Å; N374-V414 WeakPolarHBondContact O-CG1 3.4Å
375	F	94.4	Very high	92	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-62.5	-43.1	176.3	-171	-101.6	0	0	0	112.6	F335 L339 E371 V372 E373 T377 F378 L379 M404 L416 V420 V424 F441 M445	F335-F375 HydrophobicContact CZ-CD1 4.05Å; F335-F375 HydrophobicContact CZ-CG 4.31Å; L339-F375 HydrophobicContact CD1-CE1 4Å; L339-F375 HydrophobicContact CD2-CD1 3.86Å; L339-F375 HydrophobicContact CD2-CE1 3.55Å; L339-F375 HydrophobicContact CG-CE1 4.44Å; E371-F375 PolarHBondContact O-N 2.95Å; E371-F375 VanDerWaalsContact O-N 3.11Å; V372-F375 WeakPolarHBondContact O-CB 3.46Å; V372-F375 PolarHBondContact O-N 3.14Å; V372-F375 VanDerWaalsContact O-N 3.15Å; E373-F375 VanDerWaalsContact C-N 3.31Å; E373-F375 PolarHBondContact O-N 2.97Å; F375-T377 VanDerWaalsContact C-N 3.3Å; F375-T377 PolarHBondContact O-N 3.45Å; F375-F378 HydrophobicContact CD2-CD1 4.35Å; F375-F378 HydrophobicContact CE2-CD1 4.12Å; F375-F378 HydrophobicContact CE2-CE1 4.34Å; F375-F378 VanDerWaalsContact O-CB 3.31Å; F375-F378 WeakPolarHBondContact O-CB 3.47Å; F375-F378 PolarHBondContact O-N 3.04Å; F375-L379 HydrophobicContact CD1-CD1 4.15Å; F375-L379 HydrophobicContact CD1-CG 4.21Å; F375-L379 HydrophobicContact CE1-CD1 3.82Å; F375-L379 HydrophobicContact CE1-CD2 3.99Å; F375-L379 HydrophobicContact CE1-CG 3.95Å; F375-L379 HydrophobicContact CZ-CD2 4.1Å; F375-L379 WeakPolarHBondContact O-CG 3.44Å; F375-L379 PolarHBondContact O-N 3.07Å; F375-M404 HydrophobicContact CE2-CE 3.76Å; F375-M404 HydrophobicContact CZ-CE 4.47Å; F375-L416 HydrophobicContact CB-CD2 4.38Å; F375-L416 HydrophobicContact CD2-CD1 4.34Å; F375-L416 HydrophobicContact CD2-CD2 4.1Å; F375-V420 HydrophobicContact CB-CG1 4.17Å; F375-V420 HydrophobicContact CD2-CG1 3.66Å; F375-V420 HydrophobicContact CE2-CG1 4.34Å; F375-V420 HydrophobicContact CG-CG1 4.05Å; F375-V424 HydrophobicContact CD2-CG2 4.44Å; F375-V424 HydrophobicContact CE1-CG2 4.38Å; F375-V424 HydrophobicContact CE2-CG2 3.67Å; F375-V424 HydrophobicContact CZ-CG1 4.39Å; F375-V424 HydrophobicContact CZ-CG2 3.62Å; F375-F441 HydrophobicContact CZ-CZ 4.39Å; F375-M445 HydrophobicContact CE1-SD 4.19Å; F375-M445 HydrophobicContact CZ-SD 4.3Å
376	F	92	Very high	92.4	Very high	17 Å²	17	38.3 Å²	38.3	8%	0.075	20%	0.195	C	C	.	.	H	α-helix	trans	-68.2	-30.3	176.9	-87.6	-96.6	0	0	0	112.7	L316 M338 L339 V372 E373 N374 L379 K380 R448	L316-F376 HydrophobicContact CD1-CD1 4.05Å; L316-F376 HydrophobicContact CD1-CD2 3.9Å; L316-F376 HydrophobicContact CD1-CE1 4.06Å; L316-F376 HydrophobicContact CD1-CE2 3.92Å; L316-F376 HydrophobicContact CD1-CG 3.97Å; L316-F376 HydrophobicContact CD1-CZ 4Å; L316-F376 HydrophobicContact CD2-CB 3.76Å; L316-F376 HydrophobicContact CD2-CD1 4.43Å; L316-F376 HydrophobicContact CD2-CD2 4.09Å; L316-F376 HydrophobicContact CD2-CG 3.83Å; M338-F376 HydrophobicContact CE-CE2 4.18Å; L339-F376 HydrophobicContact CD2-CE2 3.94Å; L339-F376 HydrophobicContact CD2-CZ 4.03Å; V372-F376 HydrophobicContact CG1-CD2 3.73Å; V372-F376 HydrophobicContact CG1-CE2 3.85Å; V372-F376 VanDerWaalsContact O-CD2 3.31Å; V372-F376 WeakPolarHBondContact O-CD2 3.19Å; V372-F376 PolarHBondContact O-N 3.23Å; E373-F376 PolarHBondContact O-N 3.2Å; N374-F376 PolarHBondContact O-N 3.17Å; F376-L379 HydrophobicContact CD1-CD1 4.36Å; F376-L379 HydrophobicContact CE1-CD1 4.43Å; F376-L379 WeakPolarHBondContact O-CB 3.28Å; F376-L379 PolarHBondContact O-N 3.03Å; F376-K380 WeakPolarHBondContact O-CG 3.45Å; F376-K380 PolarHBondContact O-N 2.81Å; F376-R448 HydrophobicContact CE1-CG 4.25Å; F376-R448 VanDerWaalsContact CE1-NE 3.31Å; F376-R448 HydrophobicContact CZ-CG 4.49Å; F376-R448 VanDerWaalsContact CZ-NE 3.28Å
377	T	91.5	Very high	92.5	Very high	41 Å²	41	41.3 Å²	41.3	25%	0.252	21%	0.212	S	C	.	.	H	α-helix	trans	-66.3	-40	171.7	-60.3	0	0	0	0	111	E373 N374 F375 L379 K380 V414	E373-T377 WeakPolarHBondContact O-CB 3.41Å; E373-T377 PolarHBondContact O-N 3.19Å; E373-T377 PolarHBondContact O-OG1 3.4Å; N374-T377 PolarHBondContact O-N 3.32Å; F375-T377 VanDerWaalsContact C-N 3.3Å; F375-T377 PolarHBondContact O-N 3.45Å; T377-L379 VanDerWaalsContact C-N 3.32Å; T377-L379 PolarHBondContact O-N 3.45Å; T377-K380 WeakPolarHBondContact O-CB 3.42Å; T377-K380 PolarHBondContact O-N 3.32Å; T377-V414 HydrophobicContact CG2-CG2 3.64Å
378	F	92.8	Very high	92.4	Very high	3 Å²	3	42.1 Å²	42.1	1%	0.013	22%	0.219	C	C	.	.	H	α-helix	trans	-58.1	-42.6	168.3	163.6	-98.2	0	0	0	112.2	N374 F375 K380 N381 V385 M404 A408 A412 L416 F441	N374-F378 PolarHBondContact O-N 2.92Å; F375-F378 HydrophobicContact CD2-CD1 4.35Å; F375-F378 HydrophobicContact CE2-CD1 4.12Å; F375-F378 HydrophobicContact CE2-CE1 4.34Å; F375-F378 VanDerWaalsContact O-CB 3.31Å; F375-F378 WeakPolarHBondContact O-CB 3.47Å; F375-F378 PolarHBondContact O-N 3.04Å; F378-K380 VanDerWaalsContact C-N 3.31Å; F378-K380 PolarHBondContact O-N 2.79Å; F378-N381 PolarHBondContact O-N 3.43Å; F378-V385 HydrophobicContact CD2-CG2 3.96Å; F378-V385 HydrophobicContact CE1-CG1 4.49Å; F378-V385 HydrophobicContact CE2-CB 4.26Å; F378-V385 HydrophobicContact CE2-CG1 3.73Å; F378-V385 HydrophobicContact CE2-CG2 3.46Å; F378-V385 VanDerWaalsContact CE2-CG2 3.46Å; F378-V385 HydrophobicContact CZ-CB 4.38Å; F378-V385 HydrophobicContact CZ-CG1 3.51Å; F378-V385 HydrophobicContact CZ-CG2 4.02Å; F378-M404 HydrophobicContact CD1-CE 4.5Å; F378-M404 HydrophobicContact CE1-CE 3.68Å; F378-M404 HydrophobicContact CZ-CE 3.92Å; F378-A408 HydrophobicContact CD2-CB 3.62Å; F378-A408 HydrophobicContact CE2-CB 3.87Å; F378-A408 HydrophobicContact CG-CB 4.46Å; F378-A412 HydrophobicContact CB-CB 4.29Å; F378-A412 HydrophobicContact CD2-CB 3.92Å; F378-L416 HydrophobicContact CB-CD2 4.31Å; F378-L416 HydrophobicContact CD1-CD1 4.49Å; F378-L416 HydrophobicContact CG-CD1 4.35Å; F378-F441 HydrophobicContact CE1-CE1 4.43Å; F378-F441 HydrophobicContact CE1-CZ 4.24Å
379	L	90.8	Very high	92	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-66.1	-27.2	177.2	-62.1	-172.2	0	0	0	114.1	F375 F376 T377 N381 V382 M445 L449	F375-L379 HydrophobicContact CD1-CD1 4.15Å; F375-L379 HydrophobicContact CD1-CG 4.21Å; F375-L379 HydrophobicContact CE1-CD1 3.82Å; F375-L379 HydrophobicContact CE1-CD2 3.99Å; F375-L379 HydrophobicContact CE1-CG 3.95Å; F375-L379 HydrophobicContact CZ-CD2 4.1Å; F375-L379 WeakPolarHBondContact O-CG 3.44Å; F375-L379 PolarHBondContact O-N 3.07Å; F376-L379 HydrophobicContact CD1-CD1 4.36Å; F376-L379 HydrophobicContact CE1-CD1 4.43Å; F376-L379 WeakPolarHBondContact O-CB 3.28Å; F376-L379 PolarHBondContact O-N 3.03Å; T377-L379 VanDerWaalsContact C-N 3.32Å; T377-L379 PolarHBondContact O-N 3.45Å; L379-N381 PolarHBondContact O-N 3.16Å; L379-V382 WeakPolarHBondContact O-CB 3.43Å; L379-V382 WeakPolarHBondContact O-CG1 3.36Å; L379-V382 PolarHBondContact O-N 3.39Å; L379-M445 HydrophobicContact CD1-SD 3.69Å; L379-M445 HydrophobicContact CD2-CB 3.94Å; L379-M445 HydrophobicContact CD2-CG 3.67Å; L379-M445 HydrophobicContact CD2-SD 3.44Å; L379-M445 WeakPolarHBondContact CD2-SD 3.34Å; L379-M445 HydrophobicContact CG-SD 4.21Å; L379-L449 WeakPolarHBondContact O-CD2 3.39Å
380	K	89.1	Confident	91.7	Very high	75 Å²	75	40.7 Å²	40.7	33%	0.326	22%	0.215	S	C	.	.	H	α-helix	trans	-58.9	-30.7	174.8	-70.7	174.5	-176	174.3	0	111.6	F376 T377 F378 L449	F376-K380 WeakPolarHBondContact O-CG 3.45Å; F376-K380 PolarHBondContact O-N 2.81Å; T377-K380 WeakPolarHBondContact O-CB 3.42Å; T377-K380 PolarHBondContact O-N 3.32Å; F378-K380 VanDerWaalsContact C-N 3.31Å; F378-K380 PolarHBondContact O-N 2.79Å; K380-L449 HydrophobicContact CG-CD1 4.19Å
381	N	89.6	Confident	91.5	Very high	56 Å²	56	40.1 Å²	40.1	30%	0.299	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	24.2	179.1	-59	-16	0	0	0	112.5	F378 L379 N383 D384 V385 A412	F378-N381 PolarHBondContact O-N 3.43Å; L379-N381 PolarHBondContact O-N 3.16Å; N381-N383 PolarHBondContact O-N 2.89Å; N381-N383 VanDerWaalsContact O-N 3.1Å; N381-D384 PolarHBondContact O-N 3.19Å; N381-V385 WeakPolarHBondContact O-CG2 3.48Å; N381-V385 PolarHBondContact O-N 3.38Å; N381-A412 HydrophobicContact CB-CB 4.41Å
382	V	90.2	Very high	91.1	Very high	3 Å²	3	42.1 Å²	42.1	2%	0.018	22%	0.217	C	C	.	.	H	α-helix	trans	-57.3	-29.4	-175.1	67.4	0	0	0	0	113.7	L379 D386 I442 M445 K446 L449	L379-V382 WeakPolarHBondContact O-CB 3.43Å; L379-V382 WeakPolarHBondContact O-CG1 3.36Å; L379-V382 PolarHBondContact O-N 3.39Å; V382-D386 VanDerWaalsContact O-CB 3.23Å; V382-D386 WeakPolarHBondContact O-CB 3.44Å; V382-D386 PolarHBondContact O-N 2.92Å; V382-I442 HydrophobicContact CG2-CD1 3.75Å; V382-I442 HydrophobicContact CG2-CG2 4.27Å; V382-M445 HydrophobicContact CG2-CB 4.04Å; V382-K446 HydrophobicContact CG1-CG 3.79Å; V382-K446 HydrophobicContact CG2-CG 4.14Å; V382-L449 HydrophobicContact CG1-CD2 3.88Å
383	N	89	Confident	90.7	Very high	93 Å²	93	48.4 Å²	48.4	50%	0.497	25%	0.246	S	C	.	.	H	α-helix	trans	-68.4	-38.8	178.3	-64.7	-38.9	0	0	0	112.2	N381 T387 K446	N381-N383 PolarHBondContact O-N 2.89Å; N381-N383 VanDerWaalsContact O-N 3.1Å; N383-T387 PolarHBondContact O-N 2.99Å; N383-T387 PolarHBondContact O-OG1 3.39Å; N383-T387 VanDerWaalsContact O-OG1 3.09Å; N383-K446 VanDerWaalsContact OD1-CE 3.27Å; N383-K446 WeakPolarHBondContact OD1-CE 3.4Å
384	D	91.4	Very high	90.4	Very high	96 Å²	96	52.1 Å²	52.1	51%	0.513	27%	0.265	S	S	.	.	H	α-helix	trans	-76.1	-37.4	177.7	-59.1	-29.3	0	0	0	110.2	N381 T387 A388 V411	N381-D384 PolarHBondContact O-N 3.19Å; D384-T387 WeakPolarHBondContact O-CB 3.42Å; D384-T387 PolarHBondContact O-N 3.03Å; D384-A388 PolarHBondContact O-N 3.37Å; D384-V411 HydrophobicContact CB-CG1 3.54Å
385	V	91	Very high	90.2	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-61.2	-43.5	173.2	171	0	0	0	0	111.5	F378 N381 T387 A388 L389 V407 V411 I442	F378-V385 HydrophobicContact CD2-CG2 3.96Å; F378-V385 HydrophobicContact CE1-CG1 4.49Å; F378-V385 HydrophobicContact CE2-CB 4.26Å; F378-V385 HydrophobicContact CE2-CG1 3.73Å; F378-V385 HydrophobicContact CE2-CG2 3.46Å; F378-V385 VanDerWaalsContact CE2-CG2 3.46Å; F378-V385 HydrophobicContact CZ-CB 4.38Å; F378-V385 HydrophobicContact CZ-CG1 3.51Å; F378-V385 HydrophobicContact CZ-CG2 4.02Å; N381-V385 WeakPolarHBondContact O-CG2 3.48Å; N381-V385 PolarHBondContact O-N 3.38Å; V385-T387 VanDerWaalsContact C-N 3.28Å; V385-T387 PolarHBondContact O-N 3.16Å; V385-A388 PolarHBondContact O-N 3.36Å; V385-L389 HydrophobicContact CG1-CD1 3.78Å; V385-L389 HydrophobicContact CG1-CG 4.13Å; V385-L389 WeakPolarHBondContact O-CB 3.12Å; V385-L389 WeakPolarHBondContact O-CG 3.39Å; V385-L389 PolarHBondContact O-N 2.9Å; V385-V407 HydrophobicContact CB-CG1 4.46Å; V385-V407 HydrophobicContact CG1-CG1 4.05Å; V385-V407 HydrophobicContact CG2-CG1 4.3Å; V385-V411 HydrophobicContact CG2-CG1 4.28Å; V385-I442 HydrophobicContact CG1-CD1 4.37Å
386	D	91	Very high	89.7	Confident	39 Å²	39	56.3 Å²	56.3	21%	0.209	32%	0.316	C	S	.	.	H	α-helix	trans	-56.3	-44.5	175.3	-178.5	14.5	0	0	0	111.1	V382 S390 I442 K446	V382-D386 VanDerWaalsContact O-CB 3.23Å; V382-D386 WeakPolarHBondContact O-CB 3.44Å; V382-D386 PolarHBondContact O-N 2.92Å; D386-S390 VanDerWaalsContact O-CB 3.25Å; D386-S390 WeakPolarHBondContact O-CB 3.38Å; D386-S390 PolarHBondContact O-N 3.13Å; D386-S390 PolarHBondContact O-OG 3.16Å; D386-I442 HydrophobicContact CB-CD1 4.11Å; D386-I442 HydrophobicContact CB-CG1 4.18Å; D386-I442 HydrophobicContact CB-CG2 3.91Å; D386-K446 IonicContact OD2-NZ 2.77Å; D386-K446 PolarHBondContact OD2-NZ 3.49Å
387	T	91.5	Very high	89.4	Confident	69 Å²	69	57.3 Å²	57.3	42%	0.423	33%	0.328	S	S	.	.	H	α-helix	trans	-63.3	-47	176.2	-54.1	0	0	0	0	111.3	N383 D384 V385 S390 F391	N383-T387 PolarHBondContact O-N 2.99Å; N383-T387 PolarHBondContact O-OG1 3.39Å; N383-T387 VanDerWaalsContact O-OG1 3.09Å; D384-T387 WeakPolarHBondContact O-CB 3.42Å; D384-T387 PolarHBondContact O-N 3.03Å; V385-T387 VanDerWaalsContact C-N 3.28Å; V385-T387 PolarHBondContact O-N 3.16Å; T387-S390 WeakPolarHBondContact O-CB 3.47Å; T387-S390 PolarHBondContact O-N 2.66Å; T387-F391 HydrophobicContact CG2-CE1 4.03Å; T387-F391 HydrophobicContact CG2-CE2 4.05Å; T387-F391 HydrophobicContact CG2-CZ 3.65Å; T387-F391 WeakPolarHBondContact O-CG 3.47Å; T387-F391 PolarHBondContact O-N 3.11Å; T387-F391 VanDerWaalsContact O-N 3.08Å
388	A	91.3	Very high	88.9	Confident	16 Å²	16	58.1 Å²	58.1	13%	0.132	34%	0.335	C	S	.	.	H	α-helix	trans	-63.6	-47.4	179.4	0	0	0	0	0	112.5	D384 V385 S390 F391 Y392 V407 V411	D384-A388 PolarHBondContact O-N 3.37Å; V385-A388 PolarHBondContact O-N 3.36Å; A388-S390 VanDerWaalsContact C-N 3.26Å; A388-S390 PolarHBondContact O-N 3.5Å; A388-F391 WeakPolarHBondContact O-CB 3.48Å; A388-F391 PolarHBondContact O-N 3.23Å; A388-Y392 WeakPolarHBondContact O-CD2 3.15Å; A388-Y392 PolarHBondContact O-N 3Å; A388-V407 HydrophobicContact CB-CG1 3.99Å; A388-V407 HydrophobicContact CB-CG2 4.44Å; A388-V411 HydrophobicContact CB-CG2 3.85Å
389	L	87.9	Confident	88.6	Confident	2 Å²	2	58.3 Å²	58.3	1%	0.01	34%	0.336	C	S	.	.	H	α-helix	trans	-63.4	-33.8	176.7	-69.8	177.7	0	0	0	111.9	V385 F391 Y392 H393 I399 V407 I442	V385-L389 HydrophobicContact CG1-CD1 3.78Å; V385-L389 HydrophobicContact CG1-CG 4.13Å; V385-L389 WeakPolarHBondContact O-CB 3.12Å; V385-L389 WeakPolarHBondContact O-CG 3.39Å; V385-L389 PolarHBondContact O-N 2.9Å; L389-F391 VanDerWaalsContact C-N 3.32Å; L389-F391 PolarHBondContact O-N 3.16Å; L389-Y392 PolarHBondContact O-N 3.1Å; L389-H393 PolarHBondContact O-N 2.84Å; L389-I399 HydrophobicContact CB-CD1 4.31Å; L389-I399 HydrophobicContact CD2-CG2 3.85Å; L389-V407 HydrophobicContact CD2-CG2 4.08Å; L389-I442 HydrophobicContact CD1-CD1 4.29Å
390	S	88.3	Confident	88.5	Confident	40 Å²	40	60.7 Å²	60.7	28%	0.28	35%	0.348	S	S	.	.	H	α-helix	trans	-64.7	-35.4	173	-64.4	0	0	0	0	112.1	D386 T387 A388 H393 M394 N438	D386-S390 VanDerWaalsContact O-CB 3.25Å; D386-S390 WeakPolarHBondContact O-CB 3.38Å; D386-S390 PolarHBondContact O-N 3.13Å; D386-S390 PolarHBondContact O-OG 3.16Å; T387-S390 WeakPolarHBondContact O-CB 3.47Å; T387-S390 PolarHBondContact O-N 2.66Å; A388-S390 VanDerWaalsContact C-N 3.26Å; A388-S390 PolarHBondContact O-N 3.5Å; S390-H393 PolarHBondContact O-N 3.44Å; S390-M394 WeakPolarHBondContact O-CB 3.44Å; S390-M394 VanDerWaalsContact O-CG 3.31Å; S390-M394 WeakPolarHBondContact O-CG 3.24Å; S390-M394 PolarHBondContact O-N 2.95Å; S390-N438 PolarHBondContact N-ND2 3.3Å
391	F	90.6	Very high	88.5	Confident	127 Å²	127	61 Å²	61	56%	0.557	35%	0.35	S	S	*	.	H	α-helix	trans	-64.2	-43.6	173.5	-64.2	-18.3	0	0	0	112.3	T387 A388 L389 H393 M394 A395	T387-F391 HydrophobicContact CG2-CE1 4.03Å; T387-F391 HydrophobicContact CG2-CE2 4.05Å; T387-F391 HydrophobicContact CG2-CZ 3.65Å; T387-F391 WeakPolarHBondContact O-CG 3.47Å; T387-F391 PolarHBondContact O-N 3.11Å; T387-F391 VanDerWaalsContact O-N 3.08Å; A388-F391 WeakPolarHBondContact O-CB 3.48Å; A388-F391 PolarHBondContact O-N 3.23Å; L389-F391 VanDerWaalsContact C-N 3.32Å; L389-F391 PolarHBondContact O-N 3.16Å; F391-H393 VanDerWaalsContact C-N 3.35Å; F391-H393 PolarHBondContact O-N 3.26Å; F391-M394 HydrophobicContact CD1-CE 3.47Å; F391-M394 VanDerWaalsContact CD1-CE 3.47Å; F391-M394 HydrophobicContact CE1-CE 4.02Å; F391-M394 PolarHBondContact O-N 2.86Å; F391-A395 WeakPolarHBondContact O-CB 3.38Å; F391-A395 PolarHBondContact O-N 3.05Å
392	Y	87.6	Confident	88.6	Confident	78 Å²	78	63.4 Å²	63.4	31%	0.306	37%	0.366	S	S	.	.	H	α-helix	trans	-59.6	-45.8	173.8	-81.9	-84.5	0	0	0	111.7	A388 L389 M394 A395 G396 A397 T403 V407	A388-Y392 WeakPolarHBondContact O-CD2 3.15Å; A388-Y392 PolarHBondContact O-N 3Å; L389-Y392 PolarHBondContact O-N 3.1Å; Y392-M394 PolarHBondContact O-N 3.16Å; Y392-A395 PolarHBondContact O-N 3.28Å; Y392-G396 PolarHBondContact O-N 2.97Å; Y392-A397 HydrophobicContact CD1-CB 3.94Å; Y392-A397 PolarHBondContact O-N 3.33Å; Y392-T403 HydrophobicContact CD1-CG2 4.08Å; Y392-T403 HydrophobicContact CE1-CG2 3.98Å; Y392-V407 HydrophobicContact CD2-CG2 4.08Å; Y392-V407 HydrophobicContact CE2-CG2 3.65Å
393	H	85.3	Confident	88.6	Confident	131 Å²	131	64.3 Å²	64.3	61%	0.606	37%	0.372	S	S	*	.	H	α-helix	trans	-63	-42.5	178.3	-172.8	60.1	0	0	0	112.6	L389 S390 F391 A395 G396	L389-H393 PolarHBondContact O-N 2.84Å; S390-H393 PolarHBondContact O-N 3.44Å; F391-H393 VanDerWaalsContact C-N 3.35Å; F391-H393 PolarHBondContact O-N 3.26Å; H393-A395 VanDerWaalsContact C-N 3.29Å; H393-A395 PolarHBondContact O-N 2.99Å; H393-G396 PolarHBondContact O-N 3.14Å; H393-G396 VanDerWaalsContact O-N 3.1Å
394	M	88.3	Confident	88.6	Confident	142 Å²	142	60 Å²	60	70%	0.7	35%	0.349	S	S	*	.	H	α-helix	trans	-66.6	-30.1	176.1	-74.1	-170.9	-64.7	0	0	113	S390 F391 Y392 G396	S390-M394 WeakPolarHBondContact O-CB 3.44Å; S390-M394 VanDerWaalsContact O-CG 3.31Å; S390-M394 WeakPolarHBondContact O-CG 3.24Å; S390-M394 PolarHBondContact O-N 2.95Å; F391-M394 HydrophobicContact CD1-CE 3.47Å; F391-M394 VanDerWaalsContact CD1-CE 3.47Å; F391-M394 HydrophobicContact CE1-CE 4.02Å; F391-M394 PolarHBondContact O-N 2.86Å; Y392-M394 PolarHBondContact O-N 3.16Å; M394-G396 PolarHBondContact O-N 2.99Å
395	A	89.9	Confident	88.7	Confident	84 Å²	84	58.2 Å²	58.2	69%	0.694	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-2.4	174	0	0	0	0	0	113.4	F391 Y392 H393 A397	F391-A395 WeakPolarHBondContact O-CB 3.38Å; F391-A395 PolarHBondContact O-N 3.05Å; Y392-A395 PolarHBondContact O-N 3.28Å; H393-A395 VanDerWaalsContact C-N 3.29Å; H393-A395 PolarHBondContact O-N 2.99Å; A395-A397 VanDerWaalsContact C-N 3.28Å; A395-A397 PolarHBondContact O-N 2.98Å
396	G	84.6	Confident	88.7	Confident	70 Å²	70	62 Å²	62	72%	0.722	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.2	14.7	-177.5	0	0	0	0	0	114.1	Y392 H393 M394	Y392-G396 PolarHBondContact O-N 2.97Å; H393-G396 PolarHBondContact O-N 3.14Å; H393-G396 VanDerWaalsContact O-N 3.1Å; M394-G396 PolarHBondContact O-N 2.99Å
397	A	85.9	Confident	88.8	Confident	39 Å²	39	60.2 Å²	60.2	32%	0.322	35%	0.345	S	S	.	.			trans	-82.4	140.4	172.9	0	0	0	0	0	110.4	Y392 A395	Y392-A397 HydrophobicContact CD1-CB 3.94Å; Y392-A397 PolarHBondContact O-N 3.33Å; A395-A397 VanDerWaalsContact C-N 3.28Å; A395-A397 PolarHBondContact O-N 2.98Å
398	S	81.9	Confident	88.9	Confident	57 Å²	57	57 Å²	57	40%	0.399	33%	0.325	S	S	.	.			trans	-71.4	146.8	171.8	54.7	0	0	0	0	110.7	D400 E435	S398-D400 PolarHBondContact O-N 2.96Å; S398-E435 WeakPolarHBondContact CB-OE1 3.36Å
399	I	85.3	Confident	89	Confident	7 Å²	7	62.4 Å²	62.4	4%	0.036	34%	0.342	C	S	.	.			trans	-93.6	84.1	176.5	-57.9	171	0	0	0	107.4	L389 F425 L436 N438	L389-I399 HydrophobicContact CB-CD1 4.31Å; L389-I399 HydrophobicContact CD2-CG2 3.85Å; I399-F425 WeakPolarHBondContact O-CE1 3.31Å; I399-L436 HydrophobicContact CB-CB 4.47Å; I399-L436 HydrophobicContact CG2-CB 4.03Å; I399-L436 PolarHBondContact O-N 3.29Å; I399-L436 VanDerWaalsContact O-N 3.12Å; I399-N438 HydrophobicContact CD1-CB 3.77Å
400	D	88.6	Confident	89.3	Confident	50 Å²	50	66 Å²	66	27%	0.267	36%	0.364	S	S	.	.			trans	-94.5	178.5	176.5	75.1	-23	0	0	0	112.4	S398 V402 T403 M404 F425	S398-D400 PolarHBondContact O-N 2.96Å; D400-V402 VanDerWaalsContact C-N 3.26Å; D400-V402 PolarHBondContact O-N 3.42Å; D400-V402 PolarHBondContact OD1-N 2.75Å; D400-V402 WeakPolarHBondContact OD2-CB 3.07Å; D400-T403 PolarHBondContact N-OG1 2.88Å; D400-T403 PolarHBondContact O-N 2.99Å; D400-T403 PolarHBondContact O-OG1 3.48Å; D400-T403 WeakPolarHBondContact OD1-CB 3.47Å; D400-T403 WeakPolarHBondContact OD1-CG2 3.48Å; D400-T403 PolarHBondContact OD1-N 3.15Å; D400-T403 PolarHBondContact OD1-OG1 2.73Å; D400-M404 PolarHBondContact O-N 3.32Å; D400-F425 WeakPolarHBondContact O-CZ 3.47Å
401	K	89.9	Confident	89.4	Confident	83 Å²	83	66.3 Å²	66.3	36%	0.361	36%	0.364	S	S	.	.	H	α-helix	trans	-61.8	-35.6	180	-63.9	173.9	-175.6	176	0	112.3	M404 K405 D422 F425	K401-M404 PolarHBondContact O-N 2.74Å; K401-K405 WeakPolarHBondContact O-CG 3.39Å; K401-K405 PolarHBondContact O-N 3.22Å; K401-D422 VanDerWaalsContact CD-OD1 3.28Å; K401-D422 WeakPolarHBondContact CD-OD1 3.39Å; K401-D422 WeakPolarHBondContact CE-OD1 3.43Å; K401-D422 IonicContact NZ-OD1 2.77Å; K401-D422 PolarHBondContact NZ-OD1 2.95Å; K401-F425 HydrophobicContact CB-CE2 4.35Å; K401-F425 HydrophobicContact CG-CD1 4.14Å; K401-F425 HydrophobicContact CG-CD2 3.66Å; K401-F425 HydrophobicContact CG-CE1 4.28Å; K401-F425 HydrophobicContact CG-CE2 3.8Å; K401-F425 HydrophobicContact CG-CG 3.83Å; K401-F425 HydrophobicContact CG-CZ 4.13Å
402	V	90.6	Very high	89.4	Confident	106 Å²	106	60.7 Å²	60.7	64%	0.642	34%	0.341	S	S	*	.	H	α-helix	trans	-69.3	-46.2	-178	-176.4	0	0	0	0	110.5	D400 M404 K405 Q406	D400-V402 VanDerWaalsContact C-N 3.26Å; D400-V402 PolarHBondContact O-N 3.42Å; D400-V402 PolarHBondContact OD1-N 2.75Å; D400-V402 WeakPolarHBondContact OD2-CB 3.07Å; V402-M404 VanDerWaalsContact C-N 3.34Å; V402-M404 PolarHBondContact O-N 3.46Å; V402-K405 PolarHBondContact O-N 3.08Å; V402-Q406 WeakPolarHBondContact O-CB 3.17Å; V402-Q406 PolarHBondContact O-N 2.87Å
403	T	90.1	Very high	89.7	Confident	21 Å²	21	65.6 Å²	65.6	13%	0.129	36%	0.364	C	S	.	.	H	α-helix	trans	-62.3	-40.8	174.9	53.4	0	0	0	0	111.4	Y392 D400 K405 Q406 V407	Y392-T403 HydrophobicContact CD1-CG2 4.08Å; Y392-T403 HydrophobicContact CE1-CG2 3.98Å; D400-T403 PolarHBondContact N-OG1 2.88Å; D400-T403 PolarHBondContact O-N 2.99Å; D400-T403 PolarHBondContact O-OG1 3.48Å; D400-T403 WeakPolarHBondContact OD1-CB 3.47Å; D400-T403 WeakPolarHBondContact OD1-CG2 3.48Å; D400-T403 PolarHBondContact OD1-N 3.15Å; D400-T403 PolarHBondContact OD1-OG1 2.73Å; T403-K405 PolarHBondContact O-N 3.44Å; T403-Q406 PolarHBondContact O-N 2.98Å; T403-V407 WeakPolarHBondContact O-CG2 3.34Å; T403-V407 PolarHBondContact O-N 2.89Å
404	M	90.1	Very high	90.1	Very high	4 Å²	4	60 Å²	60	2%	0.02	34%	0.339	C	S	.	.	H	α-helix	trans	-60.3	-46.4	175.8	-176.1	174.5	-179.9	0	0	112.2	F375 F378 D400 K401 V402 Q406 V407 A408 L416 V424 F425 F441	F375-M404 HydrophobicContact CE2-CE 3.76Å; F375-M404 HydrophobicContact CZ-CE 4.47Å; F378-M404 HydrophobicContact CD1-CE 4.5Å; F378-M404 HydrophobicContact CE1-CE 3.68Å; F378-M404 HydrophobicContact CZ-CE 3.92Å; D400-M404 PolarHBondContact O-N 3.32Å; K401-M404 PolarHBondContact O-N 2.74Å; V402-M404 VanDerWaalsContact C-N 3.34Å; V402-M404 PolarHBondContact O-N 3.46Å; M404-Q406 VanDerWaalsContact C-N 3.31Å; M404-Q406 PolarHBondContact O-N 3.3Å; M404-V407 PolarHBondContact O-N 2.78Å; M404-A408 WeakPolarHBondContact O-CB 3.38Å; M404-A408 PolarHBondContact O-N 3.42Å; M404-L416 HydrophobicContact CE-CD1 4.15Å; M404-V424 HydrophobicContact CE-CG1 4.22Å; M404-V424 HydrophobicContact SD-CG1 4.44Å; M404-F425 HydrophobicContact CB-CE2 4.07Å; M404-F425 HydrophobicContact CB-CZ 4.41Å; M404-F425 HydrophobicContact CG-CE2 4.49Å; M404-F425 HydrophobicContact SD-CD2 4.3Å; M404-F425 HydrophobicContact SD-CE2 3.61Å; M404-F441 HydrophobicContact CE-CZ 3.92Å
405	K	93	Very high	90.4	Very high	58 Å²	58	59.2 Å²	59.2	25%	0.252	33%	0.333	S	S	.	.	H	α-helix	trans	-61.7	-40.7	175.6	-73.3	-176.6	69.6	175.6	0	111.9	K401 V402 T403 A408 R409 L416 D418	K401-K405 WeakPolarHBondContact O-CG 3.39Å; K401-K405 PolarHBondContact O-N 3.22Å; V402-K405 PolarHBondContact O-N 3.08Å; T403-K405 PolarHBondContact O-N 3.44Å; K405-A408 PolarHBondContact O-N 2.75Å; K405-R409 PolarHBondContact O-N 3.36Å; K405-L416 VanDerWaalsContact CE-O 3.25Å; K405-L416 WeakPolarHBondContact CE-O 3.38Å; K405-D418 WeakPolarHBondContact CD-OD1 3.17Å; K405-D418 WeakPolarHBondContact CE-OD1 3.47Å; K405-D418 IonicContact NZ-OD1 2.93Å; K405-D418 PolarHBondContact NZ-OD1 3.34Å; K405-D418 IonicContact NZ-OD2 2.73Å
406	Q	92.3	Very high	90.6	Very high	80 Å²	80	55.6 Å²	55.6	37%	0.374	30%	0.303	S	S	.	.	H	α-helix	trans	-64.2	-43.6	177.8	-176.7	62.2	12.6	0	0	111.7	V402 T403 M404 R409 T410	V402-Q406 WeakPolarHBondContact O-CB 3.17Å; V402-Q406 PolarHBondContact O-N 2.87Å; T403-Q406 PolarHBondContact O-N 2.98Å; M404-Q406 VanDerWaalsContact C-N 3.31Å; M404-Q406 PolarHBondContact O-N 3.3Å; Q406-R409 PolarHBondContact O-N 3.13Å; Q406-T410 HydrophobicContact CG-CG2 4.45Å; Q406-T410 WeakPolarHBondContact O-CB 3.48Å; Q406-T410 VanDerWaalsContact O-CG2 3.31Å; Q406-T410 WeakPolarHBondContact O-CG2 3.24Å; Q406-T410 PolarHBondContact O-N 2.69Å; Q406-T410 PolarHBondContact O-OG1 2.95Å
407	V	91.9	Very high	91	Very high	1 Å²	1	54 Å²	54	1%	0.006	28%	0.28	C	S	.	.	H	α-helix	trans	-63.6	-42.4	175.2	171.4	0	0	0	0	110.8	V385 A388 L389 Y392 T403 M404 R409 T410 V411	V385-V407 HydrophobicContact CB-CG1 4.46Å; V385-V407 HydrophobicContact CG1-CG1 4.05Å; V385-V407 HydrophobicContact CG2-CG1 4.3Å; A388-V407 HydrophobicContact CB-CG1 3.99Å; A388-V407 HydrophobicContact CB-CG2 4.44Å; L389-V407 HydrophobicContact CD2-CG2 4.08Å; Y392-V407 HydrophobicContact CD2-CG2 4.08Å; Y392-V407 HydrophobicContact CE2-CG2 3.65Å; T403-V407 WeakPolarHBondContact O-CG2 3.34Å; T403-V407 PolarHBondContact O-N 2.89Å; M404-V407 PolarHBondContact O-N 2.78Å; V407-R409 PolarHBondContact O-N 3.24Å; V407-T410 WeakPolarHBondContact CA-OG1 3.4Å; V407-T410 PolarHBondContact O-N 2.83Å; V407-T410 PolarHBondContact O-OG1 3Å; V407-V411 HydrophobicContact CG1-CB 4.42Å; V407-V411 HydrophobicContact CG1-CG2 4.05Å; V407-V411 VanDerWaalsContact O-CB 3.3Å; V407-V411 WeakPolarHBondContact O-CB 3.45Å; V407-V411 PolarHBondContact O-N 2.86Å
408	A	93.5	Very high	91.4	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.29	C	S	.	.	I	π-helix	trans	-61.1	-44.5	177	0	0	0	0	0	112.4	F378 M404 K405 A412 K413 V414 L416	F378-A408 HydrophobicContact CD2-CB 3.62Å; F378-A408 HydrophobicContact CE2-CB 3.87Å; F378-A408 HydrophobicContact CG-CB 4.46Å; M404-A408 WeakPolarHBondContact O-CB 3.38Å; M404-A408 PolarHBondContact O-N 3.42Å; K405-A408 PolarHBondContact O-N 2.75Å; A408-A412 CarbonylContact O-C 3.57Å; A408-A412 WeakPolarHBondContact O-CA 3.48Å; A408-A412 WeakPolarHBondContact O-CB 3.29Å; A408-A412 PolarHBondContact O-N 2.9Å; A408-A412 VanDerWaalsContact O-N 3.1Å; A408-K413 PolarHBondContact O-N 3.31Å; A408-V414 CarbonylContact C-O 3.57Å; A408-V414 VanDerWaalsContact C-O 3.23Å; A408-V414 PolarHBondContact O-N 3.05Å; A408-L416 HydrophobicContact CB-CD1 3.52Å; A408-L416 HydrophobicContact CB-CG 3.71Å
409	R	94.5	Very high	91.8	Very high	131 Å²	131	54.7 Å²	54.7	49%	0.494	27%	0.273	S	S	.	.	I	π-helix	trans	-68	-39	178.5	-172.4	-176.7	-77.9	155.5	-6.8	112.7	K405 Q406 V407 K413 V414 E415	K405-R409 PolarHBondContact O-N 3.36Å; Q406-R409 PolarHBondContact O-N 3.13Å; V407-R409 PolarHBondContact O-N 3.24Å; R409-K413 WeakPolarHBondContact O-CA 3.44Å; R409-V414 WeakPolarHBondContact CA-O 2.98Å; R409-V414 PolarHBondContact N-O 3.46Å; R409-E415 IonicContact CZ-OE1 2.73Å; R409-E415 VanDerWaalsContact CZ-OE1 3.27Å; R409-E415 IonicContact NE-OE1 3.12Å; R409-E415 PolarHBondContact NE-OE1 3.18Å; R409-E415 IonicContact NH2-OE1 3.59Å; R409-E415 PolarHBondContact NH2-OE1 3.05Å
410	T	92.4	Very high	92.2	Very high	78 Å²	78	54.4 Å²	54.4	48%	0.479	27%	0.272	S	S	.	.	I	π-helix	trans	-83	-44.9	-174.7	51.6	0	0	0	0	113.2	Q406 V407	Q406-T410 HydrophobicContact CG-CG2 4.45Å; Q406-T410 WeakPolarHBondContact O-CB 3.48Å; Q406-T410 VanDerWaalsContact O-CG2 3.31Å; Q406-T410 WeakPolarHBondContact O-CG2 3.24Å; Q406-T410 PolarHBondContact O-N 2.69Å; Q406-T410 PolarHBondContact O-OG1 2.95Å; V407-T410 WeakPolarHBondContact CA-OG1 3.4Å; V407-T410 PolarHBondContact O-N 2.83Å; V407-T410 PolarHBondContact O-OG1 3Å
411	V	92.3	Very high	92.4	Very high	46 Å²	46	52 Å²	52	28%	0.279	26%	0.26	S	S	.	.	I	π-helix	trans	-90	-50.8	-174.5	-178.2	0	0	0	0	110.9	D384 V385 A388 V407	D384-V411 HydrophobicContact CB-CG1 3.54Å; V385-V411 HydrophobicContact CG2-CG1 4.28Å; A388-V411 HydrophobicContact CB-CG2 3.85Å; V407-V411 HydrophobicContact CG1-CB 4.42Å; V407-V411 HydrophobicContact CG1-CG2 4.05Å; V407-V411 VanDerWaalsContact O-CB 3.3Å; V407-V411 WeakPolarHBondContact O-CB 3.45Å; V407-V411 PolarHBondContact O-N 2.86Å
412	A	90	Very high	92.3	Very high	9 Å²	9	50.5 Å²	50.5	7%	0.074	26%	0.255	C	S	.	.	I	π-helix	trans	-88.1	-13.4	-176.7	0	0	0	0	0	113.7	F378 N381 A408 V414	F378-A412 HydrophobicContact CB-CB 4.29Å; F378-A412 HydrophobicContact CD2-CB 3.92Å; N381-A412 HydrophobicContact CB-CB 4.41Å; A408-A412 CarbonylContact O-C 3.57Å; A408-A412 WeakPolarHBondContact O-CA 3.48Å; A408-A412 WeakPolarHBondContact O-CB 3.29Å; A408-A412 PolarHBondContact O-N 2.9Å; A408-A412 VanDerWaalsContact O-N 3.1Å; A412-V414 PolarHBondContact O-N 3.15Å
413	K	92.9	Very high	92.3	Very high	181 Å²	181	45.4 Å²	45.4	79%	0.787	23%	0.225	S	C	*	.			trans	57.3	34.8	-174.9	-55.2	-179.4	-178.6	178.5	0	112.9	A408 R409	A408-K413 PolarHBondContact O-N 3.31Å; R409-K413 WeakPolarHBondContact O-CA 3.44Å
414	V	94.3	Very high	92.3	Very high	14 Å²	14	44.4 Å²	44.4	9%	0.085	22%	0.218	C	C	.	.			trans	-125.6	140.9	178.8	-179.6	0	0	0	0	109.3	N374 T377 A408 R409 A412 L416	N374-V414 HydrophobicContact CB-CG1 3.56Å; N374-V414 WeakPolarHBondContact O-CG1 3.4Å; T377-V414 HydrophobicContact CG2-CG2 3.64Å; A408-V414 CarbonylContact C-O 3.57Å; A408-V414 VanDerWaalsContact C-O 3.23Å; A408-V414 PolarHBondContact O-N 3.05Å; R409-V414 WeakPolarHBondContact CA-O 2.98Å; R409-V414 PolarHBondContact N-O 3.46Å; A412-V414 PolarHBondContact O-N 3.15Å; V414-L416 HydrophobicContact CG1-CD2 4.42Å
415	E	93.5	Very high	92.1	Very high	124 Å²	124	44.4 Å²	44.4	58%	0.579	22%	0.218	S	C	*	.	P	Polyproline II helix	trans	-90.9	125.6	171.6	-58.2	-153.2	132.1	0	0	110.2	R409	R409-E415 IonicContact CZ-OE1 2.73Å; R409-E415 VanDerWaalsContact CZ-OE1 3.27Å; R409-E415 IonicContact NE-OE1 3.12Å; R409-E415 PolarHBondContact NE-OE1 3.18Å; R409-E415 IonicContact NH2-OE1 3.59Å; R409-E415 PolarHBondContact NH2-OE1 3.05Å
416	L	94.5	Very high	91.8	Very high	9 Å²	9	42.6 Å²	42.6	5%	0.047	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-97.8	136.1	174.1	-59.7	-179.6	0	0	0	109.3	F375 F378 M404 K405 A408 V414	F375-L416 HydrophobicContact CB-CD2 4.38Å; F375-L416 HydrophobicContact CD2-CD1 4.34Å; F375-L416 HydrophobicContact CD2-CD2 4.1Å; F378-L416 HydrophobicContact CB-CD2 4.31Å; F378-L416 HydrophobicContact CD1-CD1 4.49Å; F378-L416 HydrophobicContact CG-CD1 4.35Å; M404-L416 HydrophobicContact CE-CD1 4.15Å; K405-L416 VanDerWaalsContact CE-O 3.25Å; K405-L416 WeakPolarHBondContact CE-O 3.38Å; A408-L416 HydrophobicContact CB-CD1 3.52Å; A408-L416 HydrophobicContact CB-CG 3.71Å; V414-L416 HydrophobicContact CG1-CD2 4.42Å
417	S	94.3	Very high	91.3	Very high	36 Å²	36	38.9 Å²	38.9	25%	0.252	20%	0.197	S	C	.	.	P	Polyproline II helix	trans	-69.7	152.5	173.5	72.3	0	0	0	0	110.9	E371 H419 V420 C421	E371-S417 WeakPolarHBondContact OE1-CB 3.42Å; E371-S417 PolarHBondContact OE1-OG 2.89Å; S417-H419 VanDerWaalsContact C-N 3.27Å; S417-H419 PolarHBondContact O-N 3.4Å; S417-V420 PolarHBondContact O-N 2.9Å; S417-V420 VanDerWaalsContact OG-CG2 3.29Å; S417-V420 WeakPolarHBondContact OG-CG2 3.32Å; S417-V420 PolarHBondContact OG-N 3.42Å; S417-C421 PolarHBondContact O-N 3.34Å; S417-C421 PolarHBondContact O-SG 2.92Å
418	D	92.7	Very high	90.8	Very high	98 Å²	98	39.2 Å²	39.2	52%	0.524	20%	0.198	S	C	.	.	H	α-helix	trans	-60.8	-41	178.2	-69.5	-41.1	0	0	0	110.9	K405 V420 C421 D422	K405-D418 WeakPolarHBondContact CD-OD1 3.17Å; K405-D418 WeakPolarHBondContact CE-OD1 3.47Å; K405-D418 IonicContact NZ-OD1 2.93Å; K405-D418 PolarHBondContact NZ-OD1 3.34Å; K405-D418 IonicContact NZ-OD2 2.73Å; D418-V420 PolarHBondContact O-N 3.46Å; D418-C421 WeakPolarHBondContact O-CB 3.45Å; D418-C421 PolarHBondContact O-N 3.03Å; D418-C421 VanDerWaalsContact O-N 3.15Å; D418-D422 PolarHBondContact O-N 3.4Å
419	H	92.3	Very high	90.2	Very high	12 Å²	12	40.5 Å²	40.5	6%	0.056	21%	0.205	C	C	.	.	H	α-helix	trans	-60.5	-44.1	178.3	-170.4	49.1	0	0	0	112.8	E332 F361 S417 C421 D422 V423	E332-H419 IonicContact OE1-CE1 2.99Å; E332-H419 PolarHBondContact OE1-CE1 3.31Å; E332-H419 IonicContact OE1-NE2 2.74Å; E332-H419 PolarHBondContact OE1-NE2 3.11Å; F361-H419 AromaticContact CD1-CE1 3.85Å; F361-H419 AromaticContact CE1-CE1 3.95Å; S417-H419 VanDerWaalsContact C-N 3.27Å; S417-H419 PolarHBondContact O-N 3.4Å; H419-C421 VanDerWaalsContact C-N 3.32Å; H419-C421 PolarHBondContact O-N 2.77Å; H419-D422 WeakPolarHBondContact O-CB 3.47Å; H419-D422 PolarHBondContact O-N 3.28Å; H419-V423 WeakPolarHBondContact O-CG2 3.41Å; H419-V423 PolarHBondContact O-N 3.36Å
420	V	93.1	Very high	88.9	Confident	1 Å²	1	38.1 Å²	38.1	1%	0.006	21%	0.208	C	C	.	.	H	α-helix	trans	-61.9	-42.7	176	169.8	0	0	0	0	110.9	F335 I367 E371 F375 S417 D418 D422 V423 V424	F335-V420 HydrophobicContact CE1-CG1 4.34Å; F335-V420 HydrophobicContact CZ-CG1 4.23Å; I367-V420 HydrophobicContact CG2-CG2 4.09Å; E371-V420 HydrophobicContact CB-CG2 3.88Å; E371-V420 HydrophobicContact CG-CG2 4.46Å; F375-V420 HydrophobicContact CB-CG1 4.17Å; F375-V420 HydrophobicContact CD2-CG1 3.66Å; F375-V420 HydrophobicContact CE2-CG1 4.34Å; F375-V420 HydrophobicContact CG-CG1 4.05Å; S417-V420 PolarHBondContact O-N 2.9Å; S417-V420 VanDerWaalsContact OG-CG2 3.29Å; S417-V420 WeakPolarHBondContact OG-CG2 3.32Å; S417-V420 PolarHBondContact OG-N 3.42Å; D418-V420 PolarHBondContact O-N 3.46Å; V420-D422 VanDerWaalsContact C-N 3.33Å; V420-D422 PolarHBondContact O-N 3.44Å; V420-V423 PolarHBondContact O-N 2.88Å; V420-V424 HydrophobicContact CG1-CG2 4.37Å; V420-V424 VanDerWaalsContact O-CG2 3.24Å; V420-V424 WeakPolarHBondContact O-CG2 3.27Å; V420-V424 PolarHBondContact O-N 2.86Å
421	C	91.5	Very high	87.8	Confident	1 Å²	1	40 Å²	40	1%	0.007	22%	0.215	C	C	.	.	H	α-helix	trans	-62.7	-41.9	176.3	-61.8	0	0	0	0	111	S417 D418 H419 V423 V424 F425	S417-C421 PolarHBondContact O-N 3.34Å; S417-C421 PolarHBondContact O-SG 2.92Å; D418-C421 WeakPolarHBondContact O-CB 3.45Å; D418-C421 PolarHBondContact O-N 3.03Å; D418-C421 VanDerWaalsContact O-N 3.15Å; H419-C421 VanDerWaalsContact C-N 3.32Å; H419-C421 PolarHBondContact O-N 2.77Å; C421-V423 VanDerWaalsContact C-N 3.34Å; C421-V423 PolarHBondContact O-N 2.82Å; C421-V424 PolarHBondContact O-N 3.22Å; C421-F425 WeakPolarHBondContact O-CB 3.26Å; C421-F425 VanDerWaalsContact O-CD2 3.29Å; C421-F425 WeakPolarHBondContact O-CD2 3.34Å; C421-F425 PolarHBondContact O-N 3.48Å
422	D	89.6	Confident	86.8	Confident	50 Å²	50	40.8 Å²	40.8	27%	0.267	23%	0.232	S	C	.	.	H	α-helix	trans	-59.3	-44.8	177.5	-67.5	-28.1	0	0	0	112	F361 K401 D418 H419 V420 A426	F361-D422 HydrophobicContact CE1-CB 4.1Å; F361-D422 HydrophobicContact CZ-CB 3.87Å; K401-D422 VanDerWaalsContact CD-OD1 3.28Å; K401-D422 WeakPolarHBondContact CD-OD1 3.39Å; K401-D422 WeakPolarHBondContact CE-OD1 3.43Å; K401-D422 IonicContact NZ-OD1 2.77Å; K401-D422 PolarHBondContact NZ-OD1 2.95Å; D418-D422 PolarHBondContact O-N 3.4Å; H419-D422 WeakPolarHBondContact O-CB 3.47Å; H419-D422 PolarHBondContact O-N 3.28Å; V420-D422 VanDerWaalsContact C-N 3.33Å; V420-D422 PolarHBondContact O-N 3.44Å; D422-A426 WeakPolarHBondContact O-CB 3.31Å; D422-A426 PolarHBondContact O-N 2.88Å
423	V	89.3	Confident	86.2	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-68.7	-39.8	178.8	177	0	0	0	0	111.7	E332 F335 L357 F361 I367 H419 V420 C421 A426 L427	E332-V423 HydrophobicContact CB-CG1 4.21Å; E332-V423 HydrophobicContact CB-CG2 3.89Å; E332-V423 HydrophobicContact CG-CG2 3.57Å; F335-V423 HydrophobicContact CD1-CB 4.5Å; F335-V423 HydrophobicContact CD1-CG1 3.82Å; F335-V423 HydrophobicContact CE1-CG1 4.35Å; L357-V423 HydrophobicContact CD1-CG1 4.28Å; L357-V423 HydrophobicContact CD2-CG1 4.01Å; F361-V423 HydrophobicContact CD2-CG2 4.46Å; F361-V423 HydrophobicContact CE1-CG2 4.24Å; F361-V423 HydrophobicContact CE2-CG2 3.97Å; F361-V423 HydrophobicContact CZ-CG2 3.84Å; I367-V423 HydrophobicContact CD1-CG2 4.29Å; H419-V423 WeakPolarHBondContact O-CG2 3.41Å; H419-V423 PolarHBondContact O-N 3.36Å; V420-V423 PolarHBondContact O-N 2.88Å; C421-V423 VanDerWaalsContact C-N 3.34Å; C421-V423 PolarHBondContact O-N 2.82Å; V423-A426 PolarHBondContact O-N 3.33Å; V423-L427 HydrophobicContact CG1-CD1 4.26Å; V423-L427 VanDerWaalsContact O-CG 3.32Å; V423-L427 WeakPolarHBondContact O-CG 3.38Å; V423-L427 PolarHBondContact O-N 2.77Å
424	V	89.5	Confident	85.4	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-64.7	-47.1	177	171.5	0	0	0	0	110.8	F335 L339 F375 M404 V420 C421 L427 F428 F441	F335-V424 HydrophobicContact CE1-CG2 4.35Å; L339-V424 HydrophobicContact CD1-CG2 4.19Å; F375-V424 HydrophobicContact CD2-CG2 4.44Å; F375-V424 HydrophobicContact CE1-CG2 4.38Å; F375-V424 HydrophobicContact CE2-CG2 3.67Å; F375-V424 HydrophobicContact CZ-CG1 4.39Å; F375-V424 HydrophobicContact CZ-CG2 3.62Å; M404-V424 HydrophobicContact CE-CG1 4.22Å; M404-V424 HydrophobicContact SD-CG1 4.44Å; V420-V424 HydrophobicContact CG1-CG2 4.37Å; V420-V424 VanDerWaalsContact O-CG2 3.24Å; V420-V424 WeakPolarHBondContact O-CG2 3.27Å; V420-V424 PolarHBondContact O-N 2.86Å; C421-V424 PolarHBondContact O-N 3.22Å; V424-L427 WeakPolarHBondContact O-CB 3.43Å; V424-L427 PolarHBondContact O-N 2.97Å; V424-L427 VanDerWaalsContact O-N 3.17Å; V424-F428 HydrophobicContact CG1-CD2 3.95Å; V424-F428 HydrophobicContact CG1-CE2 4.33Å; V424-F428 VanDerWaalsContact O-CD2 3.26Å; V424-F428 WeakPolarHBondContact O-CD2 3.32Å; V424-F428 PolarHBondContact O-N 3.19Å; V424-F441 HydrophobicContact CG1-CD2 4.34Å; V424-F441 HydrophobicContact CG1-CE2 3.65Å; V424-F441 HydrophobicContact CG1-CZ 4.36Å
425	F	87.8	Confident	84.7	Confident	4 Å²	4	40.8 Å²	40.8	2%	0.018	24%	0.244	C	C	.	.	H	α-helix	trans	-62.4	-46.2	175.8	-88	-103.6	0	0	0	110.8	I399 D400 K401 M404 C421 L427 F428 D429 G434 L436	I399-F425 WeakPolarHBondContact O-CE1 3.31Å; D400-F425 WeakPolarHBondContact O-CZ 3.47Å; K401-F425 HydrophobicContact CB-CE2 4.35Å; K401-F425 HydrophobicContact CG-CD1 4.14Å; K401-F425 HydrophobicContact CG-CD2 3.66Å; K401-F425 HydrophobicContact CG-CE1 4.28Å; K401-F425 HydrophobicContact CG-CE2 3.8Å; K401-F425 HydrophobicContact CG-CG 3.83Å; K401-F425 HydrophobicContact CG-CZ 4.13Å; M404-F425 HydrophobicContact CB-CE2 4.07Å; M404-F425 HydrophobicContact CB-CZ 4.41Å; M404-F425 HydrophobicContact CG-CE2 4.49Å; M404-F425 HydrophobicContact SD-CD2 4.3Å; M404-F425 HydrophobicContact SD-CE2 3.61Å; C421-F425 WeakPolarHBondContact O-CB 3.26Å; C421-F425 VanDerWaalsContact O-CD2 3.29Å; C421-F425 WeakPolarHBondContact O-CD2 3.34Å; C421-F425 PolarHBondContact O-N 3.48Å; F425-L427 PolarHBondContact O-N 2.88Å; F425-L427 VanDerWaalsContact O-N 3.08Å; F425-F428 PolarHBondContact O-N 3.01Å; F425-F428 VanDerWaalsContact O-N 3.14Å; F425-D429 WeakPolarHBondContact O-CA 3.42Å; F425-D429 WeakPolarHBondContact O-CB 3.36Å; F425-D429 PolarHBondContact O-N 2.57Å; F425-G434 WeakPolarHBondContact CE1-O 3.41Å; F425-L436 HydrophobicContact CE1-CB 3.99Å; F425-L436 HydrophobicContact CZ-CB 4.18Å
426	A	84.9	Confident	84.1	Confident	20 Å²	20	35.4 Å²	35.4	17%	0.165	22%	0.219	C	C	.	.	H	α-helix	trans	-61.2	-21.7	176.9	0	0	0	0	0	114.2	L357 M360 F361 D422 V423	L357-A426 HydrophobicContact CD2-CB 3.64Å; M360-A426 HydrophobicContact CE-CB 3.82Å; M360-A426 HydrophobicContact SD-CB 3.83Å; F361-A426 HydrophobicContact CE2-CB 3.88Å; F361-A426 HydrophobicContact CZ-CB 4.42Å; D422-A426 WeakPolarHBondContact O-CB 3.31Å; D422-A426 PolarHBondContact O-N 2.88Å; V423-A426 PolarHBondContact O-N 3.33Å
427	L	82.7	Confident	83.4	Confident	2 Å²	2	37.7 Å²	37.7	1%	0.01	24%	0.236	C	C	.	.	H	α-helix	trans	-78.5	-52.1	171.8	-77.7	165.8	0	0	0	111.5	L339 L340 M353 L357 V423 V424 F425	L339-L427 HydrophobicContact CD1-CD1 4.22Å; L340-L427 HydrophobicContact CD1-CD2 4.2Å; M353-L427 HydrophobicContact CB-CD2 4.08Å; M353-L427 HydrophobicContact CE-CB 4.1Å; M353-L427 HydrophobicContact CE-CD2 4.26Å; M353-L427 WeakPolarHBondContact CE-O 3.43Å; L357-L427 HydrophobicContact CD1-CD1 4.23Å; L357-L427 HydrophobicContact CD1-CD2 3.4Å; L357-L427 VanDerWaalsContact CD1-CD2 3.4Å; L357-L427 HydrophobicContact CD1-CG 3.76Å; L357-L427 HydrophobicContact CD2-CG 4.23Å; L357-L427 HydrophobicContact CG-CD2 3.95Å; L357-L427 HydrophobicContact CG-CG 4.21Å; V423-L427 HydrophobicContact CG1-CD1 4.26Å; V423-L427 VanDerWaalsContact O-CG 3.32Å; V423-L427 WeakPolarHBondContact O-CG 3.38Å; V423-L427 PolarHBondContact O-N 2.77Å; V424-L427 WeakPolarHBondContact O-CB 3.43Å; V424-L427 PolarHBondContact O-N 2.97Å; V424-L427 VanDerWaalsContact O-N 3.17Å; F425-L427 PolarHBondContact O-N 2.88Å; F425-L427 VanDerWaalsContact O-N 3.08Å
428	F	81.2	Confident	82.7	Confident	7 Å²	7	36.9 Å²	36.9	3%	0.031	23%	0.229	C	C	.	.	H	α-helix	trans	-99.5	-15.7	-164.6	-65.9	-72.9	0	0	0	114.6	L340 M353 V424 F425 C430 L436 F441 I444 M445	L340-F428 HydrophobicContact CD2-CE1 3.82Å; L340-F428 HydrophobicContact CD2-CZ 3.78Å; M353-F428 HydrophobicContact CE-CD1 4.29Å; M353-F428 HydrophobicContact CE-CE1 4.38Å; V424-F428 HydrophobicContact CG1-CD2 3.95Å; V424-F428 HydrophobicContact CG1-CE2 4.33Å; V424-F428 VanDerWaalsContact O-CD2 3.26Å; V424-F428 WeakPolarHBondContact O-CD2 3.32Å; V424-F428 PolarHBondContact O-N 3.19Å; F425-F428 PolarHBondContact O-N 3.01Å; F425-F428 VanDerWaalsContact O-N 3.14Å; F428-C430 PolarHBondContact O-N 3.39Å; F428-L436 HydrophobicContact CB-CD1 3.33Å; F428-L436 HydrophobicContact CG-CD1 4.33Å; F428-F441 AromaticContact CD2-CD2 3.72Å; F428-F441 HydrophobicContact CD2-CD2 3.72Å; F428-F441 HydrophobicContact CD2-CE2 4.15Å; F428-F441 AromaticContact CE2-CD2 3.98Å; F428-F441 HydrophobicContact CE2-CD2 3.98Å; F428-F441 HydrophobicContact CE2-CE2 4.16Å; F428-F441 HydrophobicContact CG-CD2 4.06Å; F428-I444 HydrophobicContact CD1-CD1 4.12Å; F428-I444 HydrophobicContact CE1-CB 4.13Å; F428-I444 HydrophobicContact CE1-CD1 3.61Å; F428-I444 HydrophobicContact CE1-CG1 4.46Å; F428-I444 HydrophobicContact CE1-CG2 3.89Å; F428-I444 HydrophobicContact CZ-CG2 4.05Å; F428-M445 HydrophobicContact CE1-CE 4.39Å; F428-M445 HydrophobicContact CE2-CE 3.88Å; F428-M445 HydrophobicContact CZ-CE 3.48Å; F428-M445 VanDerWaalsContact CZ-CE 3.48Å
429	D	81.1	Confident	82	Confident	27 Å²	27	40.9 Å²	40.9	14%	0.144	24%	0.242	C	C	.	.			trans	-78.1	95.9	168	-178.9	0.9	0	0	0	108.8	F425 D431 G432 N433 G434	F425-D429 WeakPolarHBondContact O-CA 3.42Å; F425-D429 WeakPolarHBondContact O-CB 3.36Å; F425-D429 PolarHBondContact O-N 2.57Å; D429-D431 PolarHBondContact OD1-N 3.07Å; D429-G432 VanDerWaalsContact OD1-CA 3.32Å; D429-G432 WeakPolarHBondContact OD1-CA 3.44Å; D429-G432 PolarHBondContact OD1-N 2.58Å; D429-G432 WeakPolarHBondContact OD2-CA 3.23Å; D429-N433 PolarHBondContact OD1-N 3.3Å; D429-N433 PolarHBondContact OD1-OD1 3.48Å; D429-N433 PolarHBondContact OD2-N 3.43Å; D429-G434 VanDerWaalsContact OD2-CA 3.31Å; D429-G434 WeakPolarHBondContact OD2-CA 3.02Å; D429-G434 PolarHBondContact OD2-N 2.99Å
430	C	66.1	Low	81.4	Confident	82 Å²	82	44.3 Å²	44.3	55%	0.554	26%	0.258	S	S	*	.	S	Bend	trans	-81.2	-23.5	-175	-67.6	0	0	0	0	112.7	F428	F428-C430 PolarHBondContact O-N 3.39Å
431	D	70.4	Confident	81.1	Confident	117 Å²	117	44.3 Å²	44.3	63%	0.626	26%	0.258	S	S	*	.	S	Bend	trans	-102.6	-6.8	-176.8	52.2	-37.1	0	0	0	113.5	D429 N433	D429-D431 PolarHBondContact OD1-N 3.07Å; D431-N433 PolarHBondContact O-N 3.49Å; D431-N433 VanDerWaalsContact OD2-CG 3.23Å; D431-N433 PolarHBondContact OD2-ND2 2.81Å
432	G	71.6	Confident	80.9	Confident	63 Å²	63	44.6 Å²	44.6	65%	0.649	26%	0.259	S	S	*	.	S	Bend	trans	69.5	22.5	176.3	0	0	0	0	0	112.7	D429 G434	D429-G432 VanDerWaalsContact OD1-CA 3.32Å; D429-G432 WeakPolarHBondContact OD1-CA 3.44Å; D429-G432 PolarHBondContact OD1-N 2.58Å; D429-G432 WeakPolarHBondContact OD2-CA 3.23Å; G432-G434 VanDerWaalsContact C-N 3.28Å
433	N	76.9	Confident	80.6	Confident	81 Å²	81	45 Å²	45	43%	0.433	27%	0.27	S	S	.	.	S	Bend	trans	-84.2	-5.1	-176.7	70.8	1.5	0	0	0	112.3	D429 D431 E435	D429-N433 PolarHBondContact OD1-N 3.3Å; D429-N433 PolarHBondContact OD1-OD1 3.48Å; D429-N433 PolarHBondContact OD2-N 3.43Å; D431-N433 PolarHBondContact O-N 3.49Å; D431-N433 VanDerWaalsContact OD2-CG 3.23Å; D431-N433 PolarHBondContact OD2-ND2 2.81Å; N433-E435 VanDerWaalsContact C-N 3.33Å; N433-E435 WeakPolarHBondContact OD1-CA 3.26Å; N433-E435 WeakPolarHBondContact OD1-CB 3.4Å; N433-E435 PolarHBondContact OD1-N 2.89Å; N433-E435 PolarHBondContact OD1-O 2.89Å
434	G	76.2	Confident	80.4	Confident	33 Å²	33	46 Å²	46	34%	0.34	28%	0.275	S	S	.	.	S	Bend	trans	83	6.5	-177.2	0	0	0	0	0	114.2	F425 D429 G432	F425-G434 WeakPolarHBondContact CE1-O 3.41Å; D429-G434 VanDerWaalsContact OD2-CA 3.31Å; D429-G434 WeakPolarHBondContact OD2-CA 3.02Å; D429-G434 PolarHBondContact OD2-N 2.99Å; G432-G434 VanDerWaalsContact C-N 3.28Å
435	E	79.7	Confident	80.3	Confident	90 Å²	90	46 Å²	46	42%	0.421	28%	0.275	S	S	.	.			trans	-114.7	142	-178.2	-56.6	-170.3	169.6	0	0	112	S398 N433	S398-E435 WeakPolarHBondContact CB-OE1 3.36Å; N433-E435 VanDerWaalsContact C-N 3.33Å; N433-E435 WeakPolarHBondContact OD1-CA 3.26Å; N433-E435 WeakPolarHBondContact OD1-CB 3.4Å; N433-E435 PolarHBondContact OD1-N 2.89Å; N433-E435 PolarHBondContact OD1-O 2.89Å
436	L	81.1	Confident	80.3	Confident	10 Å²	10	49 Å²	49	5%	0.052	29%	0.288	C	S	.	.			trans	-94.9	128.9	179.3	-167.5	75.5	0	0	0	111.5	I399 F425 F428 N438 F441	I399-L436 HydrophobicContact CB-CB 4.47Å; I399-L436 HydrophobicContact CG2-CB 4.03Å; I399-L436 PolarHBondContact O-N 3.29Å; I399-L436 VanDerWaalsContact O-N 3.12Å; F425-L436 HydrophobicContact CE1-CB 3.99Å; F425-L436 HydrophobicContact CZ-CB 4.18Å; F428-L436 HydrophobicContact CB-CD1 3.33Å; F428-L436 HydrophobicContact CG-CD1 4.33Å; L436-N438 PolarHBondContact O-N 2.86Å; L436-F441 HydrophobicContact CD1-CB 4.1Å; L436-F441 HydrophobicContact CD1-CD2 4.28Å; L436-F441 HydrophobicContact CD1-CG 4.32Å; L436-F441 HydrophobicContact CD2-CB 3.63Å; L436-F441 HydrophobicContact CD2-CD1 3.61Å; L436-F441 HydrophobicContact CD2-CD2 3.95Å; L436-F441 HydrophobicContact CD2-CE1 4.22Å; L436-F441 HydrophobicContact CD2-CG 3.46Å; L436-F441 VanDerWaalsContact CD2-CG 3.46Å; L436-F441 HydrophobicContact CG-CB 3.83Å; L436-F441 HydrophobicContact CG-CG 4.16Å
437	S	79.2	Confident	80.3	Confident	58 Å²	58	49.8 Å²	49.8	41%	0.406	29%	0.288	S	S	.	.			trans	-67.7	100.4	164.6	177.2	0	0	0	0	110.2	K439 E440 F441	S437-K439 VanDerWaalsContact C-N 3.27Å; S437-K439 PolarHBondContact O-N 2.86Å; S437-E440 PolarHBondContact O-N 3.11Å; S437-E440 VanDerWaalsContact O-N 3.15Å; S437-F441 PolarHBondContact O-N 3.02Å
438	N	79	Confident	80.6	Confident	18 Å²	18	49.9 Å²	49.9	10%	0.096	29%	0.288	C	S	.	.	H	α-helix	trans	-48.6	-48.7	-179.5	-176.8	-7.9	0	0	0	111.6	S390 I399 L436 E440 F441 I442	S390-N438 PolarHBondContact N-ND2 3.3Å; I399-N438 HydrophobicContact CD1-CB 3.77Å; L436-N438 PolarHBondContact O-N 2.86Å; N438-E440 PolarHBondContact O-N 3.27Å; N438-F441 PolarHBondContact O-N 3.5Å; N438-I442 WeakPolarHBondContact O-CB 3.45Å; N438-I442 VanDerWaalsContact O-CG1 3.3Å; N438-I442 WeakPolarHBondContact O-CG1 3.43Å; N438-I442 PolarHBondContact O-N 3.26Å; N438-I442 WeakPolarHBondContact OD1-CG1 3.48Å
439	K	79.3	Confident	80.8	Confident	182 Å²	182	51.6 Å²	51.6	79%	0.791	30%	0.297	S	S	*	.	H	α-helix	trans	-63	-43	-177.7	-67.9	-176.2	-178.7	176.1	0	113.2	S437 A443	S437-K439 VanDerWaalsContact C-N 3.27Å; S437-K439 PolarHBondContact O-N 2.86Å; K439-A443 WeakPolarHBondContact O-CB 3.41Å; K439-A443 PolarHBondContact O-N 3.19Å
440	E	80.3	Confident	80.9	Confident	85 Å²	85	52.5 Å²	52.5	40%	0.397	30%	0.301	S	S	.	.	H	α-helix	trans	-69.9	-46	180	-70.8	-161.9	-174.1	0	0	111.1	K349 S437 N438 I444	K349-E440 IonicContact NZ-OE2 2.73Å; K349-E440 PolarHBondContact NZ-OE2 3.18Å; S437-E440 PolarHBondContact O-N 3.11Å; S437-E440 VanDerWaalsContact O-N 3.15Å; N438-E440 PolarHBondContact O-N 3.27Å; E440-I444 VanDerWaalsContact O-CG1 3.31Å; E440-I444 WeakPolarHBondContact O-CG1 3.41Å; E440-I444 PolarHBondContact O-N 3.49Å; E440-I444 VanDerWaalsContact O-N 3.15Å
441	F	84.9	Confident	81.9	Confident	1 Å²	1	49.7 Å²	49.7	0%	0.004	28%	0.279	C	S	.	.	H	α-helix	trans	-60.2	-55.1	179.5	174.3	-108.1	0	0	0	111.5	F375 F378 M404 V424 F428 L436 S437 N438 A443 I444 M445	F375-F441 HydrophobicContact CZ-CZ 4.39Å; F378-F441 HydrophobicContact CE1-CE1 4.43Å; F378-F441 HydrophobicContact CE1-CZ 4.24Å; M404-F441 HydrophobicContact CE-CZ 3.92Å; V424-F441 HydrophobicContact CG1-CD2 4.34Å; V424-F441 HydrophobicContact CG1-CE2 3.65Å; V424-F441 HydrophobicContact CG1-CZ 4.36Å; F428-F441 AromaticContact CD2-CD2 3.72Å; F428-F441 HydrophobicContact CD2-CD2 3.72Å; F428-F441 HydrophobicContact CD2-CE2 4.15Å; F428-F441 AromaticContact CE2-CD2 3.98Å; F428-F441 HydrophobicContact CE2-CD2 3.98Å; F428-F441 HydrophobicContact CE2-CE2 4.16Å; F428-F441 HydrophobicContact CG-CD2 4.06Å; L436-F441 HydrophobicContact CD1-CB 4.1Å; L436-F441 HydrophobicContact CD1-CD2 4.28Å; L436-F441 HydrophobicContact CD1-CG 4.32Å; L436-F441 HydrophobicContact CD2-CB 3.63Å; L436-F441 HydrophobicContact CD2-CD1 3.61Å; L436-F441 HydrophobicContact CD2-CD2 3.95Å; L436-F441 HydrophobicContact CD2-CE1 4.22Å; L436-F441 HydrophobicContact CD2-CG 3.46Å; L436-F441 VanDerWaalsContact CD2-CG 3.46Å; L436-F441 HydrophobicContact CG-CB 3.83Å; L436-F441 HydrophobicContact CG-CG 4.16Å; S437-F441 PolarHBondContact O-N 3.02Å; N438-F441 PolarHBondContact O-N 3.5Å; F441-A443 VanDerWaalsContact C-N 3.33Å; F441-A443 PolarHBondContact O-N 2.8Å; F441-I444 PolarHBondContact O-N 3.09Å; F441-M445 HydrophobicContact CD1-CG 4.2Å; F441-M445 HydrophobicContact CD2-CG 3.87Å; F441-M445 HydrophobicContact CD2-SD 4.48Å; F441-M445 HydrophobicContact CE1-CG 3.87Å; F441-M445 HydrophobicContact CE2-CE 4.29Å; F441-M445 HydrophobicContact CE2-CG 3.51Å; F441-M445 HydrophobicContact CE2-SD 3.8Å; F441-M445 HydrophobicContact CG-CG 4.21Å; F441-M445 HydrophobicContact CZ-CG 3.51Å; F441-M445 HydrophobicContact CZ-SD 4.08Å; F441-M445 WeakPolarHBondContact O-CB 3.08Å; F441-M445 VanDerWaalsContact O-CG 3.27Å; F441-M445 WeakPolarHBondContact O-CG 3.28Å; F441-M445 PolarHBondContact O-N 2.93Å
442	I	87.2	Confident	82.3	Confident	7 Å²	7	45.1 Å²	45.1	4%	0.036	26%	0.259	C	S	.	.	H	α-helix	trans	-62.6	-40.1	-176.9	-66.7	-60.9	0	0	0	111.6	V382 V385 D386 L389 N438 I444 M445 K446	V382-I442 HydrophobicContact CG2-CD1 3.75Å; V382-I442 HydrophobicContact CG2-CG2 4.27Å; V385-I442 HydrophobicContact CG1-CD1 4.37Å; D386-I442 HydrophobicContact CB-CD1 4.11Å; D386-I442 HydrophobicContact CB-CG1 4.18Å; D386-I442 HydrophobicContact CB-CG2 3.91Å; L389-I442 HydrophobicContact CD1-CD1 4.29Å; N438-I442 WeakPolarHBondContact O-CB 3.45Å; N438-I442 VanDerWaalsContact O-CG1 3.3Å; N438-I442 WeakPolarHBondContact O-CG1 3.43Å; N438-I442 PolarHBondContact O-N 3.26Å; N438-I442 WeakPolarHBondContact OD1-CG1 3.48Å; I442-I444 VanDerWaalsContact C-N 3.33Å; I442-I444 PolarHBondContact O-N 3.27Å; I442-M445 PolarHBondContact O-N 3.39Å; I442-K446 HydrophobicContact CG2-CD 3.87Å; I442-K446 VanDerWaalsContact CG2-CE 3.43Å; I442-K446 HydrophobicContact CG2-CG 4.18Å; I442-K446 WeakPolarHBondContact O-CB 3.41Å; I442-K446 WeakPolarHBondContact O-CG 3.21Å; I442-K446 PolarHBondContact O-N 2.94Å
443	A	84.9	Confident	82.8	Confident	59 Å²	59	42.8 Å²	42.8	49%	0.488	23%	0.232	S	C	.	.	H	α-helix	trans	-60.6	-44.2	177.6	0	0	0	0	0	111.8	K439 F441 Q447	K439-A443 WeakPolarHBondContact O-CB 3.41Å; K439-A443 PolarHBondContact O-N 3.19Å; F441-A443 VanDerWaalsContact C-N 3.33Å; F441-A443 PolarHBondContact O-N 2.8Å; A443-Q447 PolarHBondContact O-N 3.29Å
444	I	85.3	Confident	82.9	Confident	20 Å²	20	43.8 Å²	43.8	10%	0.103	23%	0.234	C	C	.	.	H	α-helix	trans	-69.2	-40.9	179.1	-66.6	169.8	0	0	0	110.8	L340 V345 F428 E440 F441 I442 Q447 R448	L340-I444 HydrophobicContact CD2-CG2 3.94Å; V345-I444 HydrophobicContact CG2-CD1 4.04Å; V345-I444 HydrophobicContact CG2-CG1 4.41Å; F428-I444 HydrophobicContact CD1-CD1 4.12Å; F428-I444 HydrophobicContact CE1-CB 4.13Å; F428-I444 HydrophobicContact CE1-CD1 3.61Å; F428-I444 HydrophobicContact CE1-CG1 4.46Å; F428-I444 HydrophobicContact CE1-CG2 3.89Å; F428-I444 HydrophobicContact CZ-CG2 4.05Å; E440-I444 VanDerWaalsContact O-CG1 3.31Å; E440-I444 WeakPolarHBondContact O-CG1 3.41Å; E440-I444 PolarHBondContact O-N 3.49Å; E440-I444 VanDerWaalsContact O-N 3.15Å; F441-I444 PolarHBondContact O-N 3.09Å; I442-I444 VanDerWaalsContact C-N 3.33Å; I442-I444 PolarHBondContact O-N 3.27Å; I444-Q447 PolarHBondContact O-N 2.87Å; I444-R448 WeakPolarHBondContact O-CB 3.07Å; I444-R448 PolarHBondContact O-N 2.98Å
445	M	87.4	Confident	83.1	Confident	0 Å²	0	47 Å²	47	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-65.7	-42.1	178.4	-70.7	-52.2	96.2	0	0	112.7	F375 L379 V382 F428 F441 I442 Q447 R448 L449	F375-M445 HydrophobicContact CE1-SD 4.19Å; F375-M445 HydrophobicContact CZ-SD 4.3Å; L379-M445 HydrophobicContact CD1-SD 3.69Å; L379-M445 HydrophobicContact CD2-CB 3.94Å; L379-M445 HydrophobicContact CD2-CG 3.67Å; L379-M445 HydrophobicContact CD2-SD 3.44Å; L379-M445 WeakPolarHBondContact CD2-SD 3.34Å; L379-M445 HydrophobicContact CG-SD 4.21Å; V382-M445 HydrophobicContact CG2-CB 4.04Å; F428-M445 HydrophobicContact CE1-CE 4.39Å; F428-M445 HydrophobicContact CE2-CE 3.88Å; F428-M445 HydrophobicContact CZ-CE 3.48Å; F428-M445 VanDerWaalsContact CZ-CE 3.48Å; F441-M445 HydrophobicContact CD1-CG 4.2Å; F441-M445 HydrophobicContact CD2-CG 3.87Å; F441-M445 HydrophobicContact CD2-SD 4.48Å; F441-M445 HydrophobicContact CE1-CG 3.87Å; F441-M445 HydrophobicContact CE2-CE 4.29Å; F441-M445 HydrophobicContact CE2-CG 3.51Å; F441-M445 HydrophobicContact CE2-SD 3.8Å; F441-M445 HydrophobicContact CG-CG 4.21Å; F441-M445 HydrophobicContact CZ-CG 3.51Å; F441-M445 HydrophobicContact CZ-SD 4.08Å; F441-M445 WeakPolarHBondContact O-CB 3.08Å; F441-M445 VanDerWaalsContact O-CG 3.27Å; F441-M445 WeakPolarHBondContact O-CG 3.28Å; F441-M445 PolarHBondContact O-N 2.93Å; I442-M445 PolarHBondContact O-N 3.39Å; M445-Q447 VanDerWaalsContact C-N 3.34Å; M445-Q447 PolarHBondContact O-N 2.92Å; M445-R448 PolarHBondContact O-N 3.15Å; M445-L449 WeakPolarHBondContact O-CB 3.22Å; M445-L449 PolarHBondContact O-N 3.02Å
446	K	87.2	Confident	83.2	Confident	67 Å²	67	45.6 Å²	45.6	29%	0.291	24%	0.237	S	C	.	.	H	α-helix	trans	-59.7	-44.7	174.2	-76.7	179.2	-179	172.8	0	111.3	V382 N383 D386 I442 R448 L449 M450	V382-K446 HydrophobicContact CG1-CG 3.79Å; V382-K446 HydrophobicContact CG2-CG 4.14Å; N383-K446 VanDerWaalsContact OD1-CE 3.27Å; N383-K446 WeakPolarHBondContact OD1-CE 3.4Å; D386-K446 IonicContact OD2-NZ 2.77Å; D386-K446 PolarHBondContact OD2-NZ 3.49Å; I442-K446 HydrophobicContact CG2-CD 3.87Å; I442-K446 VanDerWaalsContact CG2-CE 3.43Å; I442-K446 HydrophobicContact CG2-CG 4.18Å; I442-K446 WeakPolarHBondContact O-CB 3.41Å; I442-K446 WeakPolarHBondContact O-CG 3.21Å; I442-K446 PolarHBondContact O-N 2.94Å; K446-R448 VanDerWaalsContact C-N 3.35Å; K446-R448 PolarHBondContact O-N 2.76Å; K446-L449 PolarHBondContact O-N 2.59Å; K446-M450 PolarHBondContact O-N 3.42Å
447	Q	85.6	Confident	83.2	Confident	37 Å²	37	45.5 Å²	45.5	17%	0.173	24%	0.237	C	C	.	.	H	α-helix	trans	-66.5	-35.9	178.1	-169.5	173.1	-25.8	0	0	112.7	Y342 S343 A443 I444 M445 R451 G452	Y342-Q447 VanDerWaalsContact O-CD 3.29Å; Y342-Q447 WeakPolarHBondContact O-CG 3.34Å; Y342-Q447 PolarHBondContact O-NE2 3.3Å; S343-Q447 PolarHBondContact O-NE2 3.45Å; S343-Q447 VanDerWaalsContact O-NE2 3.07Å; S343-Q447 PolarHBondContact O-OE1 3.35Å; A443-Q447 PolarHBondContact O-N 3.29Å; I444-Q447 PolarHBondContact O-N 2.87Å; M445-Q447 VanDerWaalsContact C-N 3.34Å; M445-Q447 PolarHBondContact O-N 2.92Å; Q447-R451 PolarHBondContact O-N 2.77Å; Q447-G452 PolarHBondContact O-N 3.12Å
448	R	87.8	Confident	83	Confident	3 Å²	3	45.7 Å²	45.7	1%	0.011	23%	0.233	C	C	.	.	H	α-helix	trans	-65.5	-44.5	173.6	173	59.3	-172	179.7	22.6	111.7	E319 M338 F376 I444 M445 K446 M450 R451	E319-R448 IonicContact OE2-CZ 2.78Å; E319-R448 IonicContact OE2-NH1 2.64Å; E319-R448 PolarHBondContact OE2-NH1 3.32Å; E319-R448 IonicContact OE2-NH2 3.97Å; E319-R448 PolarHBondContact OE2-NH2 3.04Å; M338-R448 PolarHBondContact O-NE 2.76Å; M338-R448 PolarHBondContact O-NH1 3.05Å; F376-R448 HydrophobicContact CE1-CG 4.25Å; F376-R448 VanDerWaalsContact CE1-NE 3.31Å; F376-R448 HydrophobicContact CZ-CG 4.49Å; F376-R448 VanDerWaalsContact CZ-NE 3.28Å; I444-R448 WeakPolarHBondContact O-CB 3.07Å; I444-R448 PolarHBondContact O-N 2.98Å; M445-R448 PolarHBondContact O-N 3.15Å; K446-R448 VanDerWaalsContact C-N 3.35Å; K446-R448 PolarHBondContact O-N 2.76Å; R448-M450 VanDerWaalsContact C-N 3.31Å; R448-M450 PolarHBondContact O-N 3.23Å; R448-R451 PolarHBondContact O-N 3.41Å; R448-R451 VanDerWaalsContact O-N 3.1Å
449	L	86.1	Confident	82.9	Confident	44 Å²	44	53.1 Å²	53.1	23%	0.23	27%	0.269	C	S	.	.	H	α-helix	trans	-58.3	-43.9	178.7	-176.4	67.9	0	0	0	111.7	L379 K380 V382 M445 K446 R451	L379-L449 WeakPolarHBondContact O-CD2 3.39Å; K380-L449 HydrophobicContact CG-CD1 4.19Å; V382-L449 HydrophobicContact CG1-CD2 3.88Å; M445-L449 WeakPolarHBondContact O-CB 3.22Å; M445-L449 PolarHBondContact O-N 3.02Å; K446-L449 PolarHBondContact O-N 2.59Å; L449-R451 VanDerWaalsContact C-N 3.27Å; L449-R451 PolarHBondContact O-N 3.31Å
450	M	83.1	Confident	83.1	Confident	45 Å²	45	45.2 Å²	45.2	22%	0.222	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83	1.5	-179.7	-59	-57.8	-72.5	0	0	113.8	P226 K446 R448 G452 L453 E454	P226-M450 HydrophobicContact CG-CE 4.39Å; K446-M450 PolarHBondContact O-N 3.42Å; R448-M450 VanDerWaalsContact C-N 3.31Å; R448-M450 PolarHBondContact O-N 3.23Å; M450-G452 PolarHBondContact O-N 3.12Å; M450-L453 PolarHBondContact O-N 3.24Å; M450-E454 HydrophobicContact CB-CB 4.48Å; M450-E454 HydrophobicContact CB-CG 4.16Å; M450-E454 HydrophobicContact CE-CB 4.47Å
451	R	86.4	Confident	83.4	Confident	23 Å²	23	47.8 Å²	47.8	9%	0.087	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.5	23.2	179.3	-61.9	179	177.1	80.1	-4.7	114.3	Y342 Q447 R448 L449 L453	Y342-R451 HydrophobicContact CD1-CB 4.03Å; Y342-R451 WeakPolarHBondContact CD1-O 3.48Å; Y342-R451 HydrophobicContact CE1-CB 3.71Å; Y342-R451 HydrophobicContact CE1-CG 4.32Å; Y342-R451 VanDerWaalsContact CE1-O 3.28Å; Y342-R451 WeakPolarHBondContact CE1-O 3.12Å; Y342-R451 HydrophobicContact CE2-CB 4.35Å; Y342-R451 HydrophobicContact CE2-CG 4.12Å; Y342-R451 HydrophobicContact CG-CB 4.46Å; Q447-R451 PolarHBondContact O-N 2.77Å; R448-R451 PolarHBondContact O-N 3.41Å; R448-R451 VanDerWaalsContact O-N 3.1Å; L449-R451 VanDerWaalsContact C-N 3.27Å; L449-R451 PolarHBondContact O-N 3.31Å; R451-L453 HydrophobicContact CB-CD1 4.34Å; R451-L453 HydrophobicContact CB-CG 4.21Å; R451-L453 PolarHBondContact O-N 3.1Å; R451-L453 VanDerWaalsContact O-N 3.09Å
452	G	79.2	Confident	83.6	Confident	21 Å²	21	51.5 Å²	51.5	22%	0.216	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.3	8.8	-173	0	0	0	0	0	115.7	Q447 M450 E454 K455	Q447-G452 PolarHBondContact O-N 3.12Å; M450-G452 PolarHBondContact O-N 3.12Å; G452-E454 VanDerWaalsContact C-N 3.28Å; G452-E454 PolarHBondContact O-N 3.35Å; G452-K455 PolarHBondContact O-N 3.04Å
453	L	81.4	Confident	83.5	Confident	15 Å²	15	57.3 Å²	57.3	8%	0.079	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-18.1	-179.2	-65.3	176.9	0	0	0	112.6	S262 M263 M450 R451 K455	S262-L453 WeakPolarHBondContact CB-O 3.38Å; S262-L453 PolarHBondContact OG-O 3.22Å; M263-L453 HydrophobicContact SD-CD2 4.35Å; M450-L453 PolarHBondContact O-N 3.24Å; R451-L453 HydrophobicContact CB-CD1 4.34Å; R451-L453 HydrophobicContact CB-CG 4.21Å; R451-L453 PolarHBondContact O-N 3.1Å; R451-L453 VanDerWaalsContact O-N 3.09Å; L453-K455 VanDerWaalsContact C-N 3.26Å; L453-K455 PolarHBondContact O-N 2.76Å
454	E	78.9	Confident	83.9	Confident	102 Å²	102	59.4 Å²	59.4	48%	0.477	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-22.6	174	65	-177	177.9	0	0	113.3	M450 G452	M450-E454 HydrophobicContact CB-CB 4.48Å; M450-E454 HydrophobicContact CB-CG 4.16Å; M450-E454 HydrophobicContact CE-CB 4.47Å; G452-E454 VanDerWaalsContact C-N 3.28Å; G452-E454 PolarHBondContact O-N 3.35Å
455	K	81.6	Confident	84.3	Confident	100 Å²	100	61.7 Å²	61.7	44%	0.435	31%	0.311	S	S	.	.	S	Bend	trans	-66.4	131.7	-174	-68.6	-172.1	-177.7	179.9	0	109.9	S262 G452 L453 K457	S262-K455 WeakPolarHBondContact CB-O 3.35Å; S262-K455 PolarHBondContact OG-O 2.87Å; G452-K455 PolarHBondContact O-N 3.04Å; L453-K455 VanDerWaalsContact C-N 3.26Å; L453-K455 PolarHBondContact O-N 2.76Å; K455-K457 PolarHBondContact O-N 2.62Å
456	P	80.2	Confident	84.5	Confident	60 Å²	60	70.1 Å²	70.1	39%	0.39	34%	0.343	S	S	.	.			trans	-64	127.5	177.8	26.6	-33	0	0	0	108.9	D458 R463	P456-D458 PolarHBondContact O-N 2.82Å; P456-R463 VanDerWaalsContact CG-NH2 3.26Å
457	K	81.1	Confident	84.9	Confident	9 Å²	9	69.3 Å²	69.3	4%	0.039	35%	0.349	C	S	.	.			trans	-81.2	9.6	177.4	-60.1	-158.5	166.3	71.4	0	112.9	R122 A123 S262 M263 R266 K455	R122-K457 VanDerWaalsContact O-CE 3.31Å; R122-K457 WeakPolarHBondContact O-CE 3.4Å; A123-K457 VanDerWaalsContact O-CG 3.27Å; A123-K457 WeakPolarHBondContact O-CG 3.37Å; S262-K457 PolarHBondContact OG-NZ 3.06Å; M263-K457 HydrophobicContact CE-CD 3.4Å; M263-K457 VanDerWaalsContact CE-CD 3.4Å; M263-K457 PolarHBondContact SD-NZ 3.29Å; R266-K457 HydrophobicContact CG-CB 3.6Å; R266-K457 VanDerWaalsContact CZ-O 3.26Å; R266-K457 PolarHBondContact NE-O 2.87Å; R266-K457 PolarHBondContact NH2-O 3.37Å; K455-K457 PolarHBondContact O-N 2.62Å
458	D	75.9	Confident	85.3	Confident	62 Å²	62	73.2 Å²	73.2	33%	0.332	37%	0.369	S	S	.	.	S	Bend	trans	-111.4	152.7	-179.4	-161.8	21.6	0	0	0	113.9	R266 P456 G460	R266-D458 VanDerWaalsContact CZ-CA 3.48Å; R266-D458 IonicContact CZ-OD1 3.94Å; R266-D458 IonicContact NH1-OD1 3.56Å; R266-D458 PolarHBondContact NH1-OD1 2.86Å; R266-D458 IonicContact NH1-OD2 2.83Å; R266-D458 VanDerWaalsContact NH2-CG 3.34Å; R266-D458 IonicContact NH2-OD1 2.75Å; R266-D458 PolarHBondContact NH2-OD1 3.17Å; P456-D458 PolarHBondContact O-N 2.82Å; D458-G460 PolarHBondContact O-N 2.87Å
459	M	76.3	Confident	85.7	Confident	174 Å²	174	82.3 Å²	82.3	86%	0.857	40%	0.403	S	S	*	.			trans	-59.1	-14.8	-179.2	-63.9	-177.9	68.6	0	0	112.2	F461	M459-F461 PolarHBondContact O-N 3Å
460	G	83.2	Confident	86.1	Confident	15 Å²	15	86.5 Å²	86.5	16%	0.155	42%	0.419	C	S	.	.			trans	72.1	-7.2	174.2	0	0	0	0	0	114.3	D458 T462 R463 L464	D458-G460 PolarHBondContact O-N 2.87Å; G460-T462 VanDerWaalsContact C-N 3.34Å; G460-T462 PolarHBondContact O-N 3.11Å; G460-R463 WeakPolarHBondContact O-CB 3.36Å; G460-R463 PolarHBondContact O-N 2.91Å; G460-L464 PolarHBondContact O-N 3.13Å
461	F	87.9	Confident	86.6	Confident	139 Å²	139	88 Å²	88	61%	0.61	43%	0.434	S	S	*	.	H	α-helix	trans	-53.9	-46.2	-179.3	179	-101.6	0	0	0	112.8	M459 R463 L464 V465	M459-F461 PolarHBondContact O-N 3Å; F461-R463 VanDerWaalsContact C-N 3.31Å; F461-R463 PolarHBondContact O-N 3.31Å; F461-L464 PolarHBondContact O-N 3.45Å; F461-V465 HydrophobicContact CD1-CG2 4.21Å; F461-V465 HydrophobicContact CD2-CG2 4.28Å; F461-V465 HydrophobicContact CE1-CG2 3.77Å; F461-V465 HydrophobicContact CE2-CG2 3.85Å; F461-V465 HydrophobicContact CG-CG2 4.45Å; F461-V465 HydrophobicContact CZ-CG2 3.58Å; F461-V465 WeakPolarHBondContact O-CG2 3.48Å; F461-V465 PolarHBondContact O-N 2.91Å
462	T	88.1	Confident	87	Confident	80 Å²	80	89.5 Å²	89.5	49%	0.491	45%	0.451	S	S	.	.	H	α-helix	trans	-63	-37.3	178.5	54.5	0	0	0	0	112.5	G460 R466	G460-T462 VanDerWaalsContact C-N 3.34Å; G460-T462 PolarHBondContact O-N 3.11Å; T462-R466 WeakPolarHBondContact O-CB 3.32Å; T462-R466 PolarHBondContact O-N 3.39Å; T462-R466 VanDerWaalsContact O-N 3.07Å
463	R	86.8	Confident	87.7	Confident	128 Å²	128	93 Å²	93	48%	0.483	46%	0.461	S	S	.	.	H	α-helix	trans	-68.9	-41.9	174.8	-70.1	-174.6	-69.5	158.9	4	111.3	P456 G460 F461 R466 A467	P456-R463 VanDerWaalsContact CG-NH2 3.26Å; G460-R463 WeakPolarHBondContact O-CB 3.36Å; G460-R463 PolarHBondContact O-N 2.91Å; F461-R463 VanDerWaalsContact C-N 3.31Å; F461-R463 PolarHBondContact O-N 3.31Å; R463-R466 PolarHBondContact O-N 2.89Å; R463-A467 WeakPolarHBondContact O-CB 3.2Å; R463-A467 PolarHBondContact O-N 3.43Å
464	L	92.1	Very high	88.2	Confident	103 Å²	103	96 Å²	96	54%	0.539	48%	0.478	S	S	.	.	H	α-helix	trans	-61.9	-50.2	176.6	-179	65.4	0	0	0	111.2	G460 F461 R466 A467 M468	G460-L464 PolarHBondContact O-N 3.13Å; F461-L464 PolarHBondContact O-N 3.45Å; L464-R466 VanDerWaalsContact C-N 3.32Å; L464-R466 PolarHBondContact O-N 2.63Å; L464-A467 PolarHBondContact O-N 2.9Å; L464-M468 HydrophobicContact CD1-CG 4.43Å; L464-M468 HydrophobicContact CD1-SD 4.48Å; L464-M468 HydrophobicContact CG-SD 4.18Å; L464-M468 WeakPolarHBondContact O-CB 3.34Å; L464-M468 WeakPolarHBondContact O-CG 3.46Å; L464-M468 PolarHBondContact O-N 3.3Å
465	V	93.9	Very high	88.8	Confident	69 Å²	69	94.6 Å²	94.6	42%	0.418	48%	0.476	S	S	.	.	H	α-helix	trans	-60.1	-42.9	178.3	171.9	0	0	0	0	111.2	F461 M468 W469	F461-V465 HydrophobicContact CD1-CG2 4.21Å; F461-V465 HydrophobicContact CD2-CG2 4.28Å; F461-V465 HydrophobicContact CE1-CG2 3.77Å; F461-V465 HydrophobicContact CE2-CG2 3.85Å; F461-V465 HydrophobicContact CG-CG2 4.45Å; F461-V465 HydrophobicContact CZ-CG2 3.58Å; F461-V465 WeakPolarHBondContact O-CG2 3.48Å; F461-V465 PolarHBondContact O-N 2.91Å; V465-M468 PolarHBondContact O-N 3.09Å; V465-W469 WeakPolarHBondContact O-CB 3.28Å; V465-W469 PolarHBondContact O-N 2.94Å
466	R	92.6	Very high	89.1	Confident	176 Å²	176	92.6 Å²	92.6	66%	0.664	48%	0.478	S	S	*	.	H	α-helix	trans	-64.3	-41.4	176.4	-172.7	-176	-64.9	142	-1.2	112.2	T462 R463 L464 W469 K470	T462-R466 WeakPolarHBondContact O-CB 3.32Å; T462-R466 PolarHBondContact O-N 3.39Å; T462-R466 VanDerWaalsContact O-N 3.07Å; R463-R466 PolarHBondContact O-N 2.89Å; L464-R466 VanDerWaalsContact C-N 3.32Å; L464-R466 PolarHBondContact O-N 2.63Å; R466-W469 PolarHBondContact O-N 2.94Å; R466-K470 WeakPolarHBondContact O-CB 3.27Å; R466-K470 PolarHBondContact O-N 2.84Å
467	A	93.8	Very high	89.3	Confident	51 Å²	51	96.8 Å²	96.8	42%	0.421	49%	0.486	S	S	.	.	H	α-helix	trans	-64	-45.8	176.5	0	0	0	0	0	111	R463 L464 W469 K470 C471	R463-A467 WeakPolarHBondContact O-CB 3.2Å; R463-A467 PolarHBondContact O-N 3.43Å; L464-A467 PolarHBondContact O-N 2.9Å; A467-W469 VanDerWaalsContact C-N 3.33Å; A467-W469 PolarHBondContact O-N 3.22Å; A467-K470 PolarHBondContact O-N 2.9Å; A467-C471 PolarHBondContact O-N 3.48Å; A467-C471 PolarHBondContact O-SG 3.49Å
468	M	95	Very high	89.2	Confident	119 Å²	119	102.2 Å²	102.2	59%	0.586	52%	0.516	S	S	*	.	H	α-helix	trans	-59.3	-43.8	174.7	-71.3	-179.6	70.9	0	0	111.8	L464 V465 C471 A472	L464-M468 HydrophobicContact CD1-CG 4.43Å; L464-M468 HydrophobicContact CD1-SD 4.48Å; L464-M468 HydrophobicContact CG-SD 4.18Å; L464-M468 WeakPolarHBondContact O-CB 3.34Å; L464-M468 WeakPolarHBondContact O-CG 3.46Å; L464-M468 PolarHBondContact O-N 3.3Å; V465-M468 PolarHBondContact O-N 3.09Å; M468-C471 PolarHBondContact O-N 3.04Å; M468-A472 VanDerWaalsContact O-CB 3.29Å; M468-A472 WeakPolarHBondContact O-CB 3.37Å; M468-A472 PolarHBondContact O-N 2.95Å
469	W	95.9	Very high	89.2	Confident	193 Å²	193	108.2 Å²	108.2	73%	0.731	54%	0.539	S	S	*	.	H	α-helix	trans	-61.3	-44.5	176.3	-178.3	-89.2	0	0	0	112	V465 R466 A467 A472 Q473	V465-W469 WeakPolarHBondContact O-CB 3.28Å; V465-W469 PolarHBondContact O-N 2.94Å; R466-W469 PolarHBondContact O-N 2.94Å; A467-W469 VanDerWaalsContact C-N 3.33Å; A467-W469 PolarHBondContact O-N 3.22Å; W469-A472 PolarHBondContact O-N 3.42Å; W469-Q473 WeakPolarHBondContact O-CB 3.44Å; W469-Q473 PolarHBondContact O-N 3.29Å
470	K	94.4	Very high	89	Confident	133 Å²	133	103.2 Å²	103.2	58%	0.578	53%	0.525	S	S	*	.	H	α-helix	trans	-63.8	-45.5	178.1	-169.3	175.9	179.5	-179.3	0	111.5	R466 A467 A472 Q473 D474	R466-K470 WeakPolarHBondContact O-CB 3.27Å; R466-K470 PolarHBondContact O-N 2.84Å; A467-K470 PolarHBondContact O-N 2.9Å; K470-A472 VanDerWaalsContact C-N 3.32Å; K470-A472 PolarHBondContact O-N 2.63Å; K470-Q473 WeakPolarHBondContact O-CB 3.48Å; K470-Q473 PolarHBondContact O-N 2.59Å; K470-Q473 VanDerWaalsContact O-N 3.16Å; K470-D474 VanDerWaalsContact O-CG 3.31Å; K470-D474 PolarHBondContact O-N 3.24Å
471	C	94.8	Very high	88.3	Confident	77 Å²	77	107.8 Å²	107.8	52%	0.52	55%	0.545	S	S	.	.	H	α-helix	trans	-62.7	-38.1	174.8	-66.9	0	0	0	0	112.5	A467 M468 Q473 D474 T475	A467-C471 PolarHBondContact O-N 3.48Å; A467-C471 PolarHBondContact O-SG 3.49Å; M468-C471 PolarHBondContact O-N 3.04Å; C471-Q473 VanDerWaalsContact C-N 3.31Å; C471-D474 PolarHBondContact O-N 2.96Å; C471-T475 WeakPolarHBondContact O-CB 3.3Å; C471-T475 WeakPolarHBondContact O-CG2 3.34Å; C471-T475 PolarHBondContact O-N 3.37Å; C471-T475 PolarHBondContact O-OG1 3.28Å
472	A	95.1	Very high	87.2	Confident	54 Å²	54	106.3 Å²	106.3	45%	0.446	55%	0.549	S	S	.	.	H	α-helix	trans	-65.6	-36.8	175.2	0	0	0	0	0	111.5	M468 W469 K470 T475 A476	M468-A472 VanDerWaalsContact O-CB 3.29Å; M468-A472 WeakPolarHBondContact O-CB 3.37Å; M468-A472 PolarHBondContact O-N 2.95Å; W469-A472 PolarHBondContact O-N 3.42Å; K470-A472 VanDerWaalsContact C-N 3.32Å; K470-A472 PolarHBondContact O-N 2.63Å; A472-T475 WeakPolarHBondContact CA-OG1 3.42Å; A472-T475 PolarHBondContact O-OG1 2.7Å; A472-A476 VanDerWaalsContact O-CB 3.29Å; A472-A476 WeakPolarHBondContact O-CB 3.23Å; A472-A476 PolarHBondContact O-N 2.92Å
473	Q	93.9	Very high	86	Confident	93 Å²	93	112.5 Å²	112.5	44%	0.435	57%	0.569	S	S	.	*	H	α-helix	trans	-66.6	-49.4	174.5	-176.8	175.1	16.9	0	0	111	W469 K470 C471 T475 A476 W477	W469-Q473 WeakPolarHBondContact O-CB 3.44Å; W469-Q473 PolarHBondContact O-N 3.29Å; K470-Q473 WeakPolarHBondContact O-CB 3.48Å; K470-Q473 PolarHBondContact O-N 2.59Å; K470-Q473 VanDerWaalsContact O-N 3.16Å; C471-Q473 VanDerWaalsContact C-N 3.31Å; Q473-T475 PolarHBondContact O-N 3.02Å; Q473-A476 WeakPolarHBondContact O-CB 3.45Å; Q473-A476 PolarHBondContact O-N 3.1Å; Q473-A476 VanDerWaalsContact O-N 3.14Å; Q473-W477 PolarHBondContact O-N 3.27Å
474	D	91.3	Very high	84.3	Confident	79 Å²	79	116.1 Å²	116.1	42%	0.422	61%	0.606	S	S	.	*	H	α-helix	trans	-61.2	-43.7	-179.5	-65.5	-18.7	0	0	0	111.4	K470 C471 A476 W477 D478	K470-D474 VanDerWaalsContact O-CG 3.31Å; K470-D474 PolarHBondContact O-N 3.24Å; C471-D474 PolarHBondContact O-N 2.96Å; D474-A476 VanDerWaalsContact C-N 3.34Å; D474-A476 PolarHBondContact O-N 3Å; D474-W477 PolarHBondContact O-N 3.14Å; D474-D478 PolarHBondContact O-N 3.18Å
475	T	92	Very high	84	Confident	73 Å²	73	116.8 Å²	116.8	45%	0.448	61%	0.609	S	S	.	*	H	α-helix	trans	-64.1	-38.3	174.7	50.3	0	0	0	0	112.1	C471 A472 Q473 W477 D478 F479	C471-T475 WeakPolarHBondContact O-CB 3.3Å; C471-T475 WeakPolarHBondContact O-CG2 3.34Å; C471-T475 PolarHBondContact O-N 3.37Å; C471-T475 PolarHBondContact O-OG1 3.28Å; A472-T475 WeakPolarHBondContact CA-OG1 3.42Å; A472-T475 PolarHBondContact O-OG1 2.7Å; Q473-T475 PolarHBondContact O-N 3.02Å; T475-W477 VanDerWaalsContact C-N 3.33Å; T475-W477 PolarHBondContact O-N 2.88Å; T475-D478 PolarHBondContact O-N 3.43Å; T475-F479 WeakPolarHBondContact O-CD2 3.21Å; T475-F479 PolarHBondContact O-N 3.06Å; T475-F479 VanDerWaalsContact O-N 3.09Å
476	A	87.9	Confident	83.4	Confident	57 Å²	57	119.3 Å²	119.3	47%	0.471	62%	0.619	S	S	.	*	H	α-helix	trans	-64.7	-35	175.1	0	0	0	0	0	112.7	A472 Q473 D474 F479 A480	A472-A476 VanDerWaalsContact O-CB 3.29Å; A472-A476 WeakPolarHBondContact O-CB 3.23Å; A472-A476 PolarHBondContact O-N 2.92Å; Q473-A476 WeakPolarHBondContact O-CB 3.45Å; Q473-A476 PolarHBondContact O-N 3.1Å; Q473-A476 VanDerWaalsContact O-N 3.14Å; D474-A476 VanDerWaalsContact C-N 3.34Å; D474-A476 PolarHBondContact O-N 3Å; A476-F479 PolarHBondContact O-N 2.64Å; A476-A480 WeakPolarHBondContact O-CB 3.2Å; A476-A480 PolarHBondContact O-N 3.26Å; A476-A480 VanDerWaalsContact O-N 3.13Å
477	W	82.7	Confident	82.9	Confident	149 Å²	149	116.1 Å²	116.1	56%	0.564	62%	0.617	S	S	*	*	H	α-helix	trans	-67.8	-41	172.4	-72.4	112.9	0	0	0	112.3	Q473 D474 T475 F479 A480 I481	Q473-W477 PolarHBondContact O-N 3.27Å; D474-W477 PolarHBondContact O-N 3.14Å; T475-W477 VanDerWaalsContact C-N 3.33Å; T475-W477 PolarHBondContact O-N 2.88Å; W477-F479 VanDerWaalsContact C-N 3.26Å; W477-F479 PolarHBondContact O-N 3.4Å; W477-A480 PolarHBondContact O-N 3.25Å; W477-I481 PolarHBondContact O-N 2.88Å; W477-I481 VanDerWaalsContact O-N 3.1Å
478	D	80.4	Confident	82.3	Confident	123 Å²	123	119.9 Å²	119.9	66%	0.658	63%	0.628	S	S	*	*	H	α-helix	trans	-62.6	-32	176	-74.1	-23	0	0	0	112.7	D474 T475	D474-D478 PolarHBondContact O-N 3.18Å; T475-D478 PolarHBondContact O-N 3.43Å
479	F	75.4	Confident	81.5	Confident	187 Å²	187	120 Å²	120	82%	0.82	63%	0.631	S	S	*	*	H	α-helix	trans	-77.7	-25.1	172.5	-77.4	-68.3	0	0	0	113.4	T475 A476 W477	T475-F479 WeakPolarHBondContact O-CD2 3.21Å; T475-F479 PolarHBondContact O-N 3.06Å; T475-F479 VanDerWaalsContact O-N 3.09Å; A476-F479 PolarHBondContact O-N 2.64Å; W477-F479 VanDerWaalsContact C-N 3.26Å; W477-F479 PolarHBondContact O-N 3.4Å
480	A	72.1	Confident	80.5	Confident	69 Å²	69	115.1 Å²	115.1	57%	0.57	62%	0.624	S	S	*	*	H	α-helix	trans	-84.1	-22.1	-177.8	0	0	0	0	0	113.4	A476 W477 P482	A476-A480 WeakPolarHBondContact O-CB 3.2Å; A476-A480 PolarHBondContact O-N 3.26Å; A476-A480 VanDerWaalsContact O-N 3.13Å; W477-A480 PolarHBondContact O-N 3.25Å; A480-P482 WeakPolarHBondContact O-CD 3.46Å
481	I	68.3	Low	79.6	Confident	112 Å²	112	113.9 Å²	113.9	57%	0.574	63%	0.628	S	S	*	*	S	Bend	trans	-101.2	106.9	178.2	-55.9	170.9	0	0	0	108.8	W477 K483	W477-I481 PolarHBondContact O-N 2.88Å; W477-I481 VanDerWaalsContact O-N 3.1Å; I481-K483 PolarHBondContact O-N 3.11Å
482	P	65.1	Low	78.4	Confident	107 Å²	107	116.7 Å²	116.7	70%	0.695	64%	0.636	S	S	*	*			trans	-63.6	125.8	174.4	25.1	-30.2	0	0	0	108.9	A480 T484	A480-P482 WeakPolarHBondContact O-CD 3.46Å; P482-T484 PolarHBondContact O-N 2.97Å
483	K	63.4	Low	77	Confident	210 Å²	210	121.9 Å²	121.9	91%	0.913	65%	0.652	S	S	*	*			trans	-61.9	103.9	170.9	-67.1	-177.5	179.1	-178.9	0	107.8	I481	I481-K483 PolarHBondContact O-N 3.11Å
484	T	51.4	Low	75.5	Confident	204 Å²	204	124.5 Å²	124.5	100%	1.252	67%	0.672	S	S	*	*			trans	-72.6	0	172	47.6	0	0	0	0	111.5	P482	P482-T484 PolarHBondContact O-N 2.97Å

Retrieved 484 of 484 residues in 391.1 ms (Link to these results)

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